USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 459 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 62 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 66 LYS NZ :NH3+ -167:sc= 0.998 (180deg=0.883) USER MOD Set 2.1: A 57 TYR OH : rot 105:sc= 0.337 USER MOD Set 2.2: A 61 GLN : amide:sc= -1.04 X(o=-0.7,f=-0.66) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 177:sc= 1.2 (180deg=1.19) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.008) USER MOD Single : A 24 GLN : amide:sc=-0.00476 X(o=-0.0048,f=-0.099) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0.724 K(o=0.72,f=-0.016) USER MOD Single : A 28 THR OG1 : rot 88:sc= 1.25 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN :FLIP amide:sc= 0 F(o=-0.72!,f=0) USER MOD Single : A 49 SER OG : rot 74:sc= 1.22 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= -0.0301 (180deg=-0.0301) USER MOD Single : A 52 SER OG : rot 75:sc= 0.216 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 63 ASN : amide:sc= -0.0316 K(o=-0.032,f=-0.99) USER MOD Single : A 64 THR OG1 : rot -70:sc= 1.48 USER MOD ----------------------------------------------------------------- ATOM 58 N TRP A 5 -0.960 5.301 -11.367 1.00 10.00 N ATOM 59 CA TRP A 5 -1.398 6.092 -10.210 1.00 10.00 C ATOM 60 C TRP A 5 -0.279 6.826 -9.465 1.00 10.00 C ATOM 61 O TRP A 5 -0.362 8.035 -9.276 1.00 10.00 O ATOM 62 CB TRP A 5 -2.243 5.219 -9.266 1.00 10.00 C ATOM 63 CG TRP A 5 -1.490 4.197 -8.468 1.00 10.00 C ATOM 64 CD1 TRP A 5 -1.178 2.944 -8.873 1.00 10.00 C ATOM 65 CD2 TRP A 5 -0.898 4.342 -7.137 1.00 10.00 C ATOM 66 NE1 TRP A 5 -0.429 2.312 -7.897 1.00 10.00 N ATOM 67 CE2 TRP A 5 -0.212 3.133 -6.812 1.00 10.00 C ATOM 68 CE3 TRP A 5 -0.842 5.388 -6.188 1.00 10.00 C ATOM 69 CZ2 TRP A 5 0.494 2.970 -5.611 1.00 10.00 C ATOM 70 CZ3 TRP A 5 -0.134 5.235 -4.979 1.00 10.00 C ATOM 71 CH2 TRP A 5 0.534 4.031 -4.690 1.00 10.00 C ATOM 0 HA TRP A 5 -2.014 6.897 -10.611 1.00 10.00 H new ATOM 0 HB2 TRP A 5 -2.772 5.874 -8.574 1.00 10.00 H new ATOM 0 HB3 TRP A 5 -2.999 4.704 -9.859 1.00 10.00 H new ATOM 0 HD1 TRP A 5 -1.470 2.504 -9.815 1.00 10.00 H new ATOM 0 HE1 TRP A 5 -0.080 1.356 -7.971 1.00 10.00 H new ATOM 0 HE3 TRP A 5 -1.350 6.319 -6.393 1.00 10.00 H new ATOM 0 HZ2 TRP A 5 1.001 2.041 -5.397 1.00 10.00 H new ATOM 0 HZ3 TRP A 5 -0.104 6.048 -4.269 1.00 10.00 H new ATOM 0 HH2 TRP A 5 1.076 3.922 -3.762 1.00 10.00 H new ATOM 82 N SER A 6 0.806 6.148 -9.104 1.00 10.00 N ATOM 83 CA SER A 6 1.891 6.719 -8.288 1.00 10.00 C ATOM 84 C SER A 6 2.691 7.846 -8.975 1.00 10.00 C ATOM 85 O SER A 6 3.518 8.492 -8.327 1.00 10.00 O ATOM 86 CB SER A 6 2.829 5.596 -7.825 1.00 10.00 C ATOM 87 OG SER A 6 3.369 4.898 -8.939 1.00 10.00 O ATOM 0 H SER A 6 0.966 5.176 -9.369 1.00 10.00 H new ATOM 0 HA SER A 6 1.410 7.196 -7.434 1.00 10.00 H new ATOM 0 HB2 SER A 6 3.638 6.015 -7.226 1.00 10.00 H new ATOM 0 HB3 SER A 6 2.285 4.902 -7.185 1.00 10.00 H new ATOM 0 HG SER A 6 3.965 4.188 -8.622 1.00 10.00 H new ATOM 93 N GLY A 7 2.419 8.128 -10.257 1.00 10.00 N ATOM 94 CA GLY A 7 2.980 9.238 -11.038 1.00 10.00 C ATOM 95 C GLY A 7 1.932 10.211 -11.604 1.00 10.00 C ATOM 96 O GLY A 7 2.272 11.011 -12.481 1.00 10.00 O ATOM 0 H GLY A 7 1.771 7.561 -10.803 1.00 10.00 H new ATOM 0 HA2 GLY A 7 3.673 9.796 -10.408 1.00 10.00 H new ATOM 0 HA3 GLY A 7 3.561 8.828 -11.864 1.00 10.00 H new ATOM 100 N TYR A 8 0.675 10.162 -11.135 1.00 10.00 N ATOM 101 CA TYR A 8 -0.422 11.018 -11.602 1.00 10.00 C ATOM 102 C TYR A 8 -1.482 11.348 -10.531 1.00 10.00 C ATOM 103 O TYR A 8 -1.973 12.477 -10.460 1.00 10.00 O ATOM 104 CB TYR A 8 -1.075 10.347 -12.823 1.00 10.00 C ATOM 105 CG TYR A 8 -1.877 11.290 -13.703 1.00 10.00 C ATOM 106 CD1 TYR A 8 -1.205 12.133 -14.610 1.00 10.00 C ATOM 107 CD2 TYR A 8 -3.284 11.311 -13.637 1.00 10.00 C ATOM 108 CE1 TYR A 8 -1.937 12.992 -15.452 1.00 10.00 C ATOM 109 CE2 TYR A 8 -4.020 12.169 -14.478 1.00 10.00 C ATOM 110 CZ TYR A 8 -3.347 13.012 -15.390 1.00 10.00 C ATOM 111 OH TYR A 8 -4.048 13.841 -16.212 1.00 10.00 O ATOM 0 H TYR A 8 0.389 9.511 -10.404 1.00 10.00 H new ATOM 0 HA TYR A 8 0.014 11.982 -11.864 1.00 10.00 H new ATOM 0 HB2 TYR A 8 -0.296 9.881 -13.426 1.00 10.00 H new ATOM 0 HB3 TYR A 8 -1.730 9.548 -12.476 1.00 10.00 H new ATOM 0 HD1 TYR A 8 -0.126 12.120 -14.660 1.00 10.00 H new ATOM 0 HD2 TYR A 8 -3.800 10.668 -12.940 1.00 10.00 H new ATOM 0 HE1 TYR A 8 -1.419 13.637 -16.146 1.00 10.00 H new ATOM 0 HE2 TYR A 8 -5.099 12.182 -14.425 1.00 10.00 H new ATOM 0 HH TYR A 8 -5.008 13.733 -16.045 1.00 10.00 H new ATOM 121 N LEU A 9 -1.793 10.390 -9.651 1.00 10.00 N ATOM 122 CA LEU A 9 -2.755 10.500 -8.545 1.00 10.00 C ATOM 123 C LEU A 9 -2.470 11.696 -7.635 1.00 10.00 C ATOM 124 O LEU A 9 -3.396 12.390 -7.225 1.00 10.00 O ATOM 125 CB LEU A 9 -2.731 9.171 -7.759 1.00 10.00 C ATOM 126 CG LEU A 9 -3.680 8.993 -6.559 1.00 10.00 C ATOM 127 CD1 LEU A 9 -3.221 9.729 -5.292 1.00 10.00 C ATOM 128 CD2 LEU A 9 -5.126 9.324 -6.924 1.00 10.00 C ATOM 0 H LEU A 9 -1.359 9.468 -9.692 1.00 10.00 H new ATOM 0 HA LEU A 9 -3.750 10.678 -8.953 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -2.940 8.368 -8.465 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -1.713 9.021 -7.398 1.00 10.00 H new ATOM 0 HG LEU A 9 -3.639 7.933 -6.307 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -3.939 9.557 -4.491 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -2.243 9.356 -4.989 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -3.155 10.798 -5.496 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -5.763 9.186 -6.050 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -5.189 10.359 -7.259 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -5.460 8.663 -7.724 1.00 10.00 H new ATOM 140 N ASP A 10 -1.197 11.960 -7.350 1.00 10.00 N ATOM 141 CA ASP A 10 -0.747 13.017 -6.436 1.00 10.00 C ATOM 142 C ASP A 10 -1.147 14.448 -6.870 1.00 10.00 C ATOM 143 O ASP A 10 -1.089 15.374 -6.063 1.00 10.00 O ATOM 144 CB ASP A 10 0.775 12.886 -6.268 1.00 10.00 C ATOM 145 CG ASP A 10 1.344 13.800 -5.168 1.00 10.00 C ATOM 146 OD1 ASP A 10 1.018 13.587 -3.975 1.00 10.00 O ATOM 147 OD2 ASP A 10 2.160 14.700 -5.486 1.00 10.00 O ATOM 0 H ASP A 10 -0.425 11.432 -7.758 1.00 10.00 H new ATOM 0 HA ASP A 10 -1.257 12.874 -5.484 1.00 10.00 H new ATOM 0 HB2 ASP A 10 1.020 11.850 -6.034 1.00 10.00 H new ATOM 0 HB3 ASP A 10 1.260 13.122 -7.215 1.00 10.00 H new ATOM 152 N ASP A 11 -1.609 14.631 -8.113 1.00 10.00 N ATOM 153 CA ASP A 11 -2.190 15.884 -8.624 1.00 10.00 C ATOM 154 C ASP A 11 -3.718 15.823 -8.808 1.00 10.00 C ATOM 155 O ASP A 11 -4.360 16.862 -8.934 1.00 10.00 O ATOM 156 CB ASP A 11 -1.473 16.250 -9.934 1.00 10.00 C ATOM 157 CG ASP A 11 -1.919 17.609 -10.496 1.00 10.00 C ATOM 158 OD1 ASP A 11 -1.552 18.658 -9.918 1.00 10.00 O ATOM 159 OD2 ASP A 11 -2.639 17.637 -11.524 1.00 10.00 O ATOM 0 H ASP A 11 -1.589 13.890 -8.814 1.00 10.00 H new ATOM 0 HA ASP A 11 -2.033 16.663 -7.878 1.00 10.00 H new ATOM 0 HB2 ASP A 11 -0.397 16.269 -9.761 1.00 10.00 H new ATOM 0 HB3 ASP A 11 -1.663 15.475 -10.676 1.00 10.00 H new ATOM 164 N VAL A 12 -4.314 14.630 -8.766 1.00 10.00 N ATOM 165 CA VAL A 12 -5.732 14.329 -8.994 1.00 10.00 C ATOM 166 C VAL A 12 -6.503 14.205 -7.682 1.00 10.00 C ATOM 167 O VAL A 12 -7.511 14.881 -7.478 1.00 10.00 O ATOM 168 CB VAL A 12 -5.829 13.027 -9.816 1.00 10.00 C ATOM 169 CG1 VAL A 12 -7.228 12.398 -9.820 1.00 10.00 C ATOM 170 CG2 VAL A 12 -5.372 13.309 -11.249 1.00 10.00 C ATOM 0 H VAL A 12 -3.781 13.786 -8.557 1.00 10.00 H new ATOM 0 HA VAL A 12 -6.187 15.152 -9.545 1.00 10.00 H new ATOM 0 HB VAL A 12 -5.178 12.296 -9.336 1.00 10.00 H new ATOM 0 HG11 VAL A 12 -7.216 11.487 -10.418 1.00 10.00 H new ATOM 0 HG12 VAL A 12 -7.521 12.157 -8.798 1.00 10.00 H new ATOM 0 HG13 VAL A 12 -7.942 13.102 -10.246 1.00 10.00 H new ATOM 0 HG21 VAL A 12 -5.437 12.394 -11.838 1.00 10.00 H new ATOM 0 HG22 VAL A 12 -6.012 14.072 -11.692 1.00 10.00 H new ATOM 0 HG23 VAL A 12 -4.341 13.662 -11.239 1.00 10.00 H new ATOM 180 N SER A 13 -5.996 13.389 -6.761 1.00 10.00 N ATOM 181 CA SER A 13 -6.481 13.292 -5.390 1.00 10.00 C ATOM 182 C SER A 13 -6.235 14.589 -4.629 1.00 10.00 C ATOM 183 O SER A 13 -7.105 15.070 -3.902 1.00 10.00 O ATOM 184 CB SER A 13 -5.801 12.124 -4.683 1.00 10.00 C ATOM 185 OG SER A 13 -6.326 11.940 -3.379 1.00 10.00 O ATOM 0 H SER A 13 -5.216 12.761 -6.955 1.00 10.00 H new ATOM 0 HA SER A 13 -7.557 13.118 -5.416 1.00 10.00 H new ATOM 0 HB2 SER A 13 -5.938 11.213 -5.265 1.00 10.00 H new ATOM 0 HB3 SER A 13 -4.728 12.306 -4.624 1.00 10.00 H new ATOM 0 HG SER A 13 -5.874 11.184 -2.948 1.00 10.00 H new ATOM 191 N ALA A 14 -5.080 15.223 -4.863 1.00 10.00 N ATOM 192 CA ALA A 14 -4.814 16.524 -4.279 1.00 10.00 C ATOM 193 C ALA A 14 -5.648 17.658 -4.908 1.00 10.00 C ATOM 194 O ALA A 14 -5.868 18.682 -4.264 1.00 10.00 O ATOM 195 CB ALA A 14 -3.336 16.872 -4.281 1.00 10.00 C ATOM 0 H ALA A 14 -4.329 14.854 -5.446 1.00 10.00 H new ATOM 0 HA ALA A 14 -5.133 16.437 -3.240 1.00 10.00 H new ATOM 0 HB1 ALA A 14 -3.193 17.855 -3.833 1.00 10.00 H new ATOM 0 HB2 ALA A 14 -2.786 16.128 -3.705 1.00 10.00 H new ATOM 0 HB3 ALA A 14 -2.966 16.883 -5.306 1.00 10.00 H new ATOM 201 N LYS A 15 -6.163 17.492 -6.139 1.00 10.00 N ATOM 202 CA LYS A 15 -7.118 18.421 -6.768 1.00 10.00 C ATOM 203 C LYS A 15 -8.363 18.599 -5.898 1.00 10.00 C ATOM 204 O LYS A 15 -8.722 19.721 -5.554 1.00 10.00 O ATOM 205 CB LYS A 15 -7.467 17.936 -8.189 1.00 10.00 C ATOM 206 CG LYS A 15 -7.562 19.086 -9.202 1.00 10.00 C ATOM 207 CD LYS A 15 -7.574 18.585 -10.659 1.00 10.00 C ATOM 208 CE LYS A 15 -6.267 17.942 -11.158 1.00 10.00 C ATOM 209 NZ LYS A 15 -5.099 18.852 -11.064 1.00 10.00 N ATOM 0 H LYS A 15 -5.924 16.698 -6.733 1.00 10.00 H new ATOM 0 HA LYS A 15 -6.653 19.403 -6.856 1.00 10.00 H new ATOM 0 HB2 LYS A 15 -6.710 17.226 -8.522 1.00 10.00 H new ATOM 0 HB3 LYS A 15 -8.416 17.401 -8.163 1.00 10.00 H new ATOM 0 HG2 LYS A 15 -8.468 19.661 -9.011 1.00 10.00 H new ATOM 0 HG3 LYS A 15 -6.719 19.762 -9.060 1.00 10.00 H new ATOM 0 HD2 LYS A 15 -8.379 17.858 -10.766 1.00 10.00 H new ATOM 0 HD3 LYS A 15 -7.815 19.425 -11.310 1.00 10.00 H new ATOM 0 HE2 LYS A 15 -6.067 17.042 -10.577 1.00 10.00 H new ATOM 0 HE3 LYS A 15 -6.395 17.630 -12.195 1.00 10.00 H new ATOM 0 HZ1 LYS A 15 -4.241 18.348 -11.366 1.00 10.00 H new ATOM 0 HZ2 LYS A 15 -5.251 19.676 -11.680 1.00 10.00 H new ATOM 0 HZ3 LYS A 15 -4.985 19.171 -10.081 1.00 10.00 H new ATOM 223 N PHE A 16 -8.897 17.481 -5.407 1.00 10.00 N ATOM 224 CA PHE A 16 -9.959 17.363 -4.402 1.00 10.00 C ATOM 225 C PHE A 16 -9.610 17.980 -3.028 1.00 10.00 C ATOM 226 O PHE A 16 -10.477 18.082 -2.158 1.00 10.00 O ATOM 227 CB PHE A 16 -10.365 15.870 -4.352 1.00 10.00 C ATOM 228 CG PHE A 16 -10.957 15.307 -3.073 1.00 10.00 C ATOM 229 CD1 PHE A 16 -10.116 14.999 -1.985 1.00 10.00 C ATOM 230 CD2 PHE A 16 -12.332 15.008 -2.998 1.00 10.00 C ATOM 231 CE1 PHE A 16 -10.651 14.427 -0.816 1.00 10.00 C ATOM 232 CE2 PHE A 16 -12.865 14.423 -1.834 1.00 10.00 C ATOM 233 CZ PHE A 16 -12.026 14.138 -0.742 1.00 10.00 C ATOM 0 H PHE A 16 -8.577 16.566 -5.723 1.00 10.00 H new ATOM 0 HA PHE A 16 -10.817 17.968 -4.696 1.00 10.00 H new ATOM 0 HB2 PHE A 16 -11.087 15.699 -5.151 1.00 10.00 H new ATOM 0 HB3 PHE A 16 -9.480 15.281 -4.591 1.00 10.00 H new ATOM 0 HD1 PHE A 16 -9.057 15.203 -2.049 1.00 10.00 H new ATOM 0 HD2 PHE A 16 -12.978 15.228 -3.835 1.00 10.00 H new ATOM 0 HE1 PHE A 16 -10.007 14.210 0.023 1.00 10.00 H new ATOM 0 HE2 PHE A 16 -13.919 14.193 -1.779 1.00 10.00 H new ATOM 0 HZ PHE A 16 -12.437 13.697 0.154 1.00 10.00 H new ATOM 243 N ASP A 17 -8.367 18.444 -2.855 1.00 10.00 N ATOM 244 CA ASP A 17 -7.820 19.089 -1.665 1.00 10.00 C ATOM 245 C ASP A 17 -7.272 20.523 -1.893 1.00 10.00 C ATOM 246 O ASP A 17 -6.934 21.209 -0.926 1.00 10.00 O ATOM 247 CB ASP A 17 -6.786 18.148 -1.022 1.00 10.00 C ATOM 248 CG ASP A 17 -6.389 18.572 0.404 1.00 10.00 C ATOM 249 OD1 ASP A 17 -7.270 18.605 1.296 1.00 10.00 O ATOM 250 OD2 ASP A 17 -5.183 18.818 0.652 1.00 10.00 O ATOM 0 H ASP A 17 -7.671 18.371 -3.598 1.00 10.00 H new ATOM 0 HA ASP A 17 -8.646 19.253 -0.974 1.00 10.00 H new ATOM 0 HB2 ASP A 17 -7.192 17.137 -0.994 1.00 10.00 H new ATOM 0 HB3 ASP A 17 -5.894 18.117 -1.647 1.00 10.00 H new ATOM 255 N THR A 18 -7.232 21.022 -3.141 1.00 10.00 N ATOM 256 CA THR A 18 -6.686 22.338 -3.510 1.00 10.00 C ATOM 257 C THR A 18 -7.502 23.119 -4.557 1.00 10.00 C ATOM 258 O THR A 18 -7.574 24.345 -4.495 1.00 10.00 O ATOM 259 CB THR A 18 -5.219 22.166 -3.928 1.00 10.00 C ATOM 260 OG1 THR A 18 -4.474 23.341 -3.683 1.00 10.00 O ATOM 261 CG2 THR A 18 -5.065 21.813 -5.403 1.00 10.00 C ATOM 0 H THR A 18 -7.590 20.504 -3.944 1.00 10.00 H new ATOM 0 HA THR A 18 -6.755 22.969 -2.624 1.00 10.00 H new ATOM 0 HB THR A 18 -4.840 21.342 -3.324 1.00 10.00 H new ATOM 0 HG1 THR A 18 -3.544 23.202 -3.957 1.00 10.00 H new ATOM 0 HG21 THR A 18 -4.007 21.704 -5.642 1.00 10.00 H new ATOM 0 HG22 THR A 18 -5.583 20.876 -5.609 1.00 10.00 H new ATOM 0 HG23 THR A 18 -5.495 22.607 -6.014 1.00 10.00 H new ATOM 269 N GLY A 19 -8.174 22.439 -5.493 1.00 10.00 N ATOM 270 CA GLY A 19 -9.172 23.050 -6.386 1.00 10.00 C ATOM 271 C GLY A 19 -10.476 23.239 -5.618 1.00 10.00 C ATOM 272 O GLY A 19 -11.181 24.226 -5.812 1.00 10.00 O ATOM 0 H GLY A 19 -8.041 21.441 -5.655 1.00 10.00 H new ATOM 0 HA2 GLY A 19 -8.810 24.010 -6.755 1.00 10.00 H new ATOM 0 HA3 GLY A 19 -9.337 22.415 -7.257 1.00 10.00 H new ATOM 292 N ASP A 21 -10.545 24.270 -2.691 1.00 10.00 N ATOM 293 CA ASP A 21 -10.320 25.526 -2.012 1.00 10.00 C ATOM 294 C ASP A 21 -10.787 26.740 -2.818 1.00 10.00 C ATOM 295 O ASP A 21 -11.097 27.758 -2.216 1.00 10.00 O ATOM 296 CB ASP A 21 -8.886 25.555 -1.495 1.00 10.00 C ATOM 297 CG ASP A 21 -8.434 26.930 -0.971 1.00 10.00 C ATOM 298 OD1 ASP A 21 -8.731 27.251 0.205 1.00 10.00 O ATOM 299 OD2 ASP A 21 -7.747 27.668 -1.715 1.00 10.00 O ATOM 0 HA ASP A 21 -10.961 25.602 -1.134 1.00 10.00 H new ATOM 0 HB2 ASP A 21 -8.785 24.822 -0.695 1.00 10.00 H new ATOM 0 HB3 ASP A 21 -8.216 25.246 -2.297 1.00 10.00 H new ATOM 304 N ASN A 22 -10.962 26.638 -4.137 1.00 10.00 N ATOM 305 CA ASN A 22 -11.633 27.677 -4.909 1.00 10.00 C ATOM 306 C ASN A 22 -13.138 27.715 -4.614 1.00 10.00 C ATOM 307 O ASN A 22 -13.784 28.756 -4.752 1.00 10.00 O ATOM 308 CB ASN A 22 -11.483 27.406 -6.410 1.00 10.00 C ATOM 309 CG ASN A 22 -10.054 27.516 -6.914 1.00 10.00 C ATOM 310 OD1 ASN A 22 -9.339 28.472 -6.644 1.00 10.00 O ATOM 311 ND2 ASN A 22 -9.594 26.548 -7.674 1.00 10.00 N ATOM 0 H ASN A 22 -10.646 25.842 -4.691 1.00 10.00 H new ATOM 0 HA ASN A 22 -11.170 28.623 -4.627 1.00 10.00 H new ATOM 0 HB2 ASN A 22 -11.859 26.407 -6.628 1.00 10.00 H new ATOM 0 HB3 ASN A 22 -12.108 28.109 -6.961 1.00 10.00 H new ATOM 0 HD21 ASN A 22 -8.642 26.594 -8.038 1.00 10.00 H new ATOM 0 HD22 ASN A 22 -10.189 25.751 -7.900 1.00 10.00 H new ATOM 318 N LEU A 23 -13.712 26.570 -4.246 1.00 10.00 N ATOM 319 CA LEU A 23 -15.059 26.481 -3.730 1.00 10.00 C ATOM 320 C LEU A 23 -15.133 26.841 -2.240 1.00 10.00 C ATOM 321 O LEU A 23 -15.961 27.656 -1.853 1.00 10.00 O ATOM 322 CB LEU A 23 -15.694 25.142 -4.131 1.00 10.00 C ATOM 323 CG LEU A 23 -17.078 25.370 -4.778 1.00 10.00 C ATOM 324 CD1 LEU A 23 -18.007 26.123 -3.843 1.00 10.00 C ATOM 325 CD2 LEU A 23 -17.255 26.096 -6.111 1.00 10.00 C ATOM 0 H LEU A 23 -13.238 25.669 -4.303 1.00 10.00 H new ATOM 0 HA LEU A 23 -15.682 27.244 -4.197 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -15.041 24.618 -4.830 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -15.797 24.505 -3.253 1.00 10.00 H new ATOM 0 HG LEU A 23 -17.292 24.321 -4.985 1.00 10.00 H new ATOM 0 HD11 LEU A 23 -18.972 26.267 -4.328 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -18.144 25.550 -2.926 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -17.573 27.094 -3.603 1.00 10.00 H new ATOM 0 HD21 LEU A 23 -18.314 26.136 -6.366 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -16.863 27.110 -6.028 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -16.714 25.561 -6.892 1.00 10.00 H new ATOM 337 N GLN A 24 -14.210 26.331 -1.425 1.00 10.00 N ATOM 338 CA GLN A 24 -14.063 26.637 -0.003 1.00 10.00 C ATOM 339 C GLN A 24 -13.884 28.133 0.242 1.00 10.00 C ATOM 340 O GLN A 24 -14.535 28.677 1.119 1.00 10.00 O ATOM 341 CB GLN A 24 -12.848 25.899 0.578 1.00 10.00 C ATOM 342 CG GLN A 24 -12.890 25.689 2.090 1.00 10.00 C ATOM 343 CD GLN A 24 -13.896 24.615 2.506 1.00 10.00 C ATOM 344 OE1 GLN A 24 -15.031 24.891 2.867 1.00 10.00 O ATOM 345 NE2 GLN A 24 -13.528 23.351 2.470 1.00 10.00 N ATOM 0 H GLN A 24 -13.513 25.663 -1.754 1.00 10.00 H new ATOM 0 HA GLN A 24 -14.979 26.308 0.489 1.00 10.00 H new ATOM 0 HB2 GLN A 24 -12.765 24.927 0.092 1.00 10.00 H new ATOM 0 HB3 GLN A 24 -11.947 26.459 0.328 1.00 10.00 H new ATOM 0 HG2 GLN A 24 -11.897 25.408 2.442 1.00 10.00 H new ATOM 0 HG3 GLN A 24 -13.146 26.630 2.577 1.00 10.00 H new ATOM 0 HE21 GLN A 24 -12.585 23.103 2.171 1.00 10.00 H new ATOM 0 HE22 GLN A 24 -14.186 22.620 2.741 1.00 10.00 H new ATOM 354 N THR A 25 -13.036 28.816 -0.531 1.00 10.00 N ATOM 355 CA THR A 25 -12.824 30.262 -0.438 1.00 10.00 C ATOM 356 C THR A 25 -14.136 30.998 -0.675 1.00 10.00 C ATOM 357 O THR A 25 -14.559 31.814 0.133 1.00 10.00 O ATOM 358 CB THR A 25 -11.681 30.714 -1.361 1.00 10.00 C ATOM 359 OG1 THR A 25 -11.205 31.979 -0.956 1.00 10.00 O ATOM 360 CG2 THR A 25 -11.988 30.770 -2.850 1.00 10.00 C ATOM 0 H THR A 25 -12.468 28.371 -1.252 1.00 10.00 H new ATOM 0 HA THR A 25 -12.501 30.520 0.570 1.00 10.00 H new ATOM 0 HB THR A 25 -10.934 29.928 -1.249 1.00 10.00 H new ATOM 0 HG1 THR A 25 -10.476 32.259 -1.548 1.00 10.00 H new ATOM 0 HG21 THR A 25 -11.103 31.102 -3.392 1.00 10.00 H new ATOM 0 HG22 THR A 25 -12.276 29.779 -3.200 1.00 10.00 H new ATOM 0 HG23 THR A 25 -12.805 31.469 -3.027 1.00 10.00 H new ATOM 368 N GLN A 26 -14.871 30.573 -1.699 1.00 10.00 N ATOM 369 CA GLN A 26 -16.229 31.017 -2.002 1.00 10.00 C ATOM 370 C GLN A 26 -17.231 30.799 -0.855 1.00 10.00 C ATOM 371 O GLN A 26 -17.903 31.750 -0.451 1.00 10.00 O ATOM 372 CB GLN A 26 -16.698 30.336 -3.305 1.00 10.00 C ATOM 373 CG GLN A 26 -16.951 31.307 -4.468 1.00 10.00 C ATOM 374 CD GLN A 26 -15.721 32.108 -4.900 1.00 10.00 C ATOM 375 OE1 GLN A 26 -15.741 33.331 -4.961 1.00 10.00 O ATOM 376 NE2 GLN A 26 -14.614 31.477 -5.235 1.00 10.00 N ATOM 0 H GLN A 26 -14.524 29.884 -2.366 1.00 10.00 H new ATOM 0 HA GLN A 26 -16.198 32.098 -2.134 1.00 10.00 H new ATOM 0 HB2 GLN A 26 -15.947 29.608 -3.611 1.00 10.00 H new ATOM 0 HB3 GLN A 26 -17.615 29.783 -3.103 1.00 10.00 H new ATOM 0 HG2 GLN A 26 -17.321 30.742 -5.324 1.00 10.00 H new ATOM 0 HG3 GLN A 26 -17.740 32.002 -4.180 1.00 10.00 H new ATOM 0 HE21 GLN A 26 -14.574 30.459 -5.192 1.00 10.00 H new ATOM 0 HE22 GLN A 26 -13.797 32.007 -5.537 1.00 10.00 H new ATOM 385 N VAL A 27 -17.337 29.587 -0.295 1.00 10.00 N ATOM 386 CA VAL A 27 -18.243 29.322 0.830 1.00 10.00 C ATOM 387 C VAL A 27 -17.819 30.090 2.071 1.00 10.00 C ATOM 388 O VAL A 27 -18.648 30.594 2.816 1.00 10.00 O ATOM 389 CB VAL A 27 -18.424 27.839 1.212 1.00 10.00 C ATOM 390 CG1 VAL A 27 -18.383 26.891 0.014 1.00 10.00 C ATOM 391 CG2 VAL A 27 -17.501 27.236 2.275 1.00 10.00 C ATOM 0 H VAL A 27 -16.805 28.773 -0.603 1.00 10.00 H new ATOM 0 HA VAL A 27 -19.209 29.664 0.460 1.00 10.00 H new ATOM 0 HB VAL A 27 -19.415 27.908 1.660 1.00 10.00 H new ATOM 0 HG11 VAL A 27 -18.517 25.865 0.357 1.00 10.00 H new ATOM 0 HG12 VAL A 27 -19.182 27.148 -0.681 1.00 10.00 H new ATOM 0 HG13 VAL A 27 -17.421 26.983 -0.490 1.00 10.00 H new ATOM 0 HG21 VAL A 27 -17.758 26.188 2.428 1.00 10.00 H new ATOM 0 HG22 VAL A 27 -16.466 27.311 1.943 1.00 10.00 H new ATOM 0 HG23 VAL A 27 -17.622 27.779 3.212 1.00 10.00 H new ATOM 401 N THR A 28 -16.513 30.202 2.288 1.00 10.00 N ATOM 402 CA THR A 28 -15.948 30.937 3.404 1.00 10.00 C ATOM 403 C THR A 28 -16.172 32.422 3.250 1.00 10.00 C ATOM 404 O THR A 28 -16.244 33.130 4.240 1.00 10.00 O ATOM 405 CB THR A 28 -14.448 30.737 3.554 1.00 10.00 C ATOM 406 OG1 THR A 28 -14.096 29.375 3.641 1.00 10.00 O ATOM 407 CG2 THR A 28 -13.961 31.394 4.831 1.00 10.00 C ATOM 0 H THR A 28 -15.811 29.777 1.683 1.00 10.00 H new ATOM 0 HA THR A 28 -16.458 30.544 4.283 1.00 10.00 H new ATOM 0 HB THR A 28 -13.991 31.179 2.668 1.00 10.00 H new ATOM 0 HG1 THR A 28 -13.958 29.015 2.740 1.00 10.00 H new ATOM 0 HG21 THR A 28 -12.886 31.245 4.929 1.00 10.00 H new ATOM 0 HG22 THR A 28 -14.178 32.462 4.797 1.00 10.00 H new ATOM 0 HG23 THR A 28 -14.469 30.948 5.686 1.00 10.00 H new ATOM 415 N GLU A 29 -16.289 32.941 2.037 1.00 10.00 N ATOM 416 CA GLU A 29 -16.629 34.332 1.853 1.00 10.00 C ATOM 417 C GLU A 29 -18.140 34.566 2.037 1.00 10.00 C ATOM 418 O GLU A 29 -18.545 35.631 2.491 1.00 10.00 O ATOM 419 CB GLU A 29 -16.074 34.861 0.548 1.00 10.00 C ATOM 420 CG GLU A 29 -14.553 35.036 0.641 1.00 10.00 C ATOM 421 CD GLU A 29 -13.983 35.732 -0.609 1.00 10.00 C ATOM 422 OE1 GLU A 29 -13.964 35.123 -1.705 1.00 10.00 O ATOM 423 OE2 GLU A 29 -13.551 36.908 -0.505 1.00 10.00 O ATOM 0 H GLU A 29 -16.153 32.417 1.172 1.00 10.00 H new ATOM 0 HA GLU A 29 -16.147 34.919 2.635 1.00 10.00 H new ATOM 0 HB2 GLU A 29 -16.318 34.174 -0.262 1.00 10.00 H new ATOM 0 HB3 GLU A 29 -16.542 35.816 0.308 1.00 10.00 H new ATOM 0 HG2 GLU A 29 -14.307 35.621 1.527 1.00 10.00 H new ATOM 0 HG3 GLU A 29 -14.081 34.061 0.762 1.00 10.00 H new ATOM 430 N ALA A 30 -18.995 33.576 1.755 1.00 10.00 N ATOM 431 CA ALA A 30 -20.404 33.613 2.146 1.00 10.00 C ATOM 432 C ALA A 30 -20.509 33.594 3.678 1.00 10.00 C ATOM 433 O ALA A 30 -21.298 34.312 4.288 1.00 10.00 O ATOM 434 CB ALA A 30 -21.132 32.413 1.550 1.00 10.00 C ATOM 0 H ALA A 30 -18.728 32.730 1.251 1.00 10.00 H new ATOM 0 HA ALA A 30 -20.866 34.526 1.770 1.00 10.00 H new ATOM 0 HB1 ALA A 30 -22.182 32.442 1.842 1.00 10.00 H new ATOM 0 HB2 ALA A 30 -21.057 32.445 0.463 1.00 10.00 H new ATOM 0 HB3 ALA A 30 -20.678 31.493 1.918 1.00 10.00 H new ATOM 440 N LEU A 31 -19.639 32.808 4.304 1.00 10.00 N ATOM 441 CA LEU A 31 -19.403 32.777 5.726 1.00 10.00 C ATOM 442 C LEU A 31 -18.723 34.045 6.257 1.00 10.00 C ATOM 443 O LEU A 31 -18.982 34.418 7.384 1.00 10.00 O ATOM 444 CB LEU A 31 -18.544 31.558 6.024 1.00 10.00 C ATOM 445 CG LEU A 31 -18.396 31.286 7.516 1.00 10.00 C ATOM 446 CD1 LEU A 31 -19.605 30.522 8.036 1.00 10.00 C ATOM 447 CD2 LEU A 31 -17.099 30.523 7.692 1.00 10.00 C ATOM 0 H LEU A 31 -19.053 32.144 3.798 1.00 10.00 H new ATOM 0 HA LEU A 31 -20.367 32.724 6.233 1.00 10.00 H new ATOM 0 HB2 LEU A 31 -18.983 30.684 5.543 1.00 10.00 H new ATOM 0 HB3 LEU A 31 -17.556 31.700 5.586 1.00 10.00 H new ATOM 0 HG LEU A 31 -18.356 32.208 8.097 1.00 10.00 H new ATOM 0 HD11 LEU A 31 -19.486 30.335 9.103 1.00 10.00 H new ATOM 0 HD12 LEU A 31 -20.507 31.111 7.870 1.00 10.00 H new ATOM 0 HD13 LEU A 31 -19.690 29.572 7.508 1.00 10.00 H new ATOM 0 HD21 LEU A 31 -16.947 30.303 8.749 1.00 10.00 H new ATOM 0 HD22 LEU A 31 -17.147 29.590 7.131 1.00 10.00 H new ATOM 0 HD23 LEU A 31 -16.269 31.126 7.324 1.00 10.00 H new ATOM 459 N ASP A 32 -17.903 34.762 5.492 1.00 10.00 N ATOM 460 CA ASP A 32 -17.380 36.071 5.879 1.00 10.00 C ATOM 461 C ASP A 32 -18.553 37.031 6.129 1.00 10.00 C ATOM 462 O ASP A 32 -18.507 37.857 7.041 1.00 10.00 O ATOM 463 CB ASP A 32 -16.369 36.580 4.832 1.00 10.00 C ATOM 464 CG ASP A 32 -15.975 38.049 5.050 1.00 10.00 C ATOM 465 OD1 ASP A 32 -15.160 38.332 5.960 1.00 10.00 O ATOM 466 OD2 ASP A 32 -16.461 38.917 4.286 1.00 10.00 O ATOM 0 H ASP A 32 -17.580 34.448 4.577 1.00 10.00 H new ATOM 0 HA ASP A 32 -16.823 36.000 6.813 1.00 10.00 H new ATOM 0 HB2 ASP A 32 -15.474 35.959 4.867 1.00 10.00 H new ATOM 0 HB3 ASP A 32 -16.797 36.467 3.836 1.00 10.00 H new ATOM 471 N LYS A 33 -19.659 36.830 5.396 1.00 10.00 N ATOM 472 CA LYS A 33 -20.935 37.477 5.624 1.00 10.00 C ATOM 473 C LYS A 33 -21.662 36.865 6.827 1.00 10.00 C ATOM 474 O LYS A 33 -22.218 37.580 7.655 1.00 10.00 O ATOM 475 CB LYS A 33 -21.809 37.486 4.367 1.00 10.00 C ATOM 476 CG LYS A 33 -21.186 37.532 2.966 1.00 10.00 C ATOM 477 CD LYS A 33 -19.948 38.418 2.796 1.00 10.00 C ATOM 478 CE LYS A 33 -19.563 38.510 1.323 1.00 10.00 C ATOM 479 NZ LYS A 33 -18.307 39.288 1.153 1.00 10.00 N ATOM 0 H LYS A 33 -19.677 36.188 4.604 1.00 10.00 H new ATOM 0 HA LYS A 33 -20.731 38.520 5.865 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -22.435 36.594 4.408 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -22.474 38.346 4.448 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -20.920 36.515 2.678 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -21.948 37.873 2.265 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -20.148 39.414 3.190 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -19.118 38.009 3.371 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -19.434 37.508 0.913 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -20.368 38.983 0.761 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -18.064 39.338 0.143 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -18.441 40.250 1.525 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -17.536 38.821 1.672 1.00 10.00 H new ATOM 493 N LEU A 34 -21.686 35.534 6.938 1.00 10.00 N ATOM 494 CA LEU A 34 -22.421 34.817 7.990 1.00 10.00 C ATOM 495 C LEU A 34 -21.747 34.967 9.365 1.00 10.00 C ATOM 496 O LEU A 34 -22.341 34.748 10.406 1.00 10.00 O ATOM 497 CB LEU A 34 -22.661 33.365 7.572 1.00 10.00 C ATOM 498 CG LEU A 34 -24.103 32.870 7.802 1.00 10.00 C ATOM 499 CD1 LEU A 34 -24.298 31.604 7.032 1.00 10.00 C ATOM 500 CD2 LEU A 34 -24.588 32.476 9.179 1.00 10.00 C ATOM 0 H LEU A 34 -21.192 34.916 6.295 1.00 10.00 H new ATOM 0 HA LEU A 34 -23.403 35.274 8.110 1.00 10.00 H new ATOM 0 HB2 LEU A 34 -22.417 33.258 6.515 1.00 10.00 H new ATOM 0 HB3 LEU A 34 -21.976 32.722 8.124 1.00 10.00 H new ATOM 0 HG LEU A 34 -24.655 33.767 7.521 1.00 10.00 H new ATOM 0 HD11 LEU A 34 -25.314 31.239 7.183 1.00 10.00 H new ATOM 0 HD12 LEU A 34 -24.135 31.795 5.971 1.00 10.00 H new ATOM 0 HD13 LEU A 34 -23.588 30.854 7.379 1.00 10.00 H new ATOM 0 HD21 LEU A 34 -25.629 32.158 9.121 1.00 10.00 H new ATOM 0 HD22 LEU A 34 -23.979 31.656 9.559 1.00 10.00 H new ATOM 0 HD23 LEU A 34 -24.507 33.330 9.852 1.00 10.00 H new ATOM 512 N ALA A 35 -20.476 35.327 9.383 1.00 10.00 N ATOM 513 CA ALA A 35 -19.726 35.731 10.550 1.00 10.00 C ATOM 514 C ALA A 35 -19.984 37.240 10.870 1.00 10.00 C ATOM 515 O ALA A 35 -19.825 37.665 12.016 1.00 10.00 O ATOM 516 CB ALA A 35 -18.264 35.334 10.281 1.00 10.00 C ATOM 0 H ALA A 35 -19.912 35.345 8.534 1.00 10.00 H new ATOM 0 HA ALA A 35 -20.039 35.228 11.465 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -17.647 35.617 11.134 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -18.202 34.256 10.129 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -17.906 35.847 9.389 1.00 10.00 H new ATOM 522 N ALA A 36 -20.403 38.047 9.872 1.00 10.00 N ATOM 523 CA ALA A 36 -20.751 39.482 9.953 1.00 10.00 C ATOM 524 C ALA A 36 -22.169 39.811 10.489 1.00 10.00 C ATOM 525 O ALA A 36 -22.314 40.620 11.410 1.00 10.00 O ATOM 526 CB ALA A 36 -20.527 40.135 8.572 1.00 10.00 C ATOM 0 H ALA A 36 -20.515 37.689 8.924 1.00 10.00 H new ATOM 0 HA ALA A 36 -20.084 39.901 10.707 1.00 10.00 H new ATOM 0 HB1 ALA A 36 -20.782 41.194 8.624 1.00 10.00 H new ATOM 0 HB2 ALA A 36 -19.481 40.027 8.284 1.00 10.00 H new ATOM 0 HB3 ALA A 36 -21.160 39.646 7.831 1.00 10.00 H new ATOM 532 N LYS A 37 -23.210 39.192 9.914 1.00 10.00 N ATOM 533 CA LYS A 37 -24.657 39.410 10.191 1.00 10.00 C ATOM 534 C LYS A 37 -25.404 38.053 10.171 1.00 10.00 C ATOM 535 O LYS A 37 -26.456 37.921 9.550 1.00 10.00 O ATOM 536 CB LYS A 37 -25.178 40.301 9.060 1.00 10.00 C ATOM 537 CG LYS A 37 -26.509 41.018 9.322 1.00 10.00 C ATOM 538 CD LYS A 37 -27.094 41.538 8.000 1.00 10.00 C ATOM 539 CE LYS A 37 -26.323 42.747 7.450 1.00 10.00 C ATOM 540 NZ LYS A 37 -26.945 43.265 6.203 1.00 10.00 N ATOM 0 H LYS A 37 -23.067 38.480 9.198 1.00 10.00 H new ATOM 0 HA LYS A 37 -24.812 39.869 11.167 1.00 10.00 H new ATOM 0 HB2 LYS A 37 -24.421 41.054 8.840 1.00 10.00 H new ATOM 0 HB3 LYS A 37 -25.289 39.689 8.165 1.00 10.00 H new ATOM 0 HG2 LYS A 37 -27.213 40.334 9.797 1.00 10.00 H new ATOM 0 HG3 LYS A 37 -26.355 41.847 10.012 1.00 10.00 H new ATOM 0 HD2 LYS A 37 -27.082 40.737 7.261 1.00 10.00 H new ATOM 0 HD3 LYS A 37 -28.137 41.815 8.152 1.00 10.00 H new ATOM 0 HE2 LYS A 37 -26.298 43.537 8.201 1.00 10.00 H new ATOM 0 HE3 LYS A 37 -25.290 42.462 7.252 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 -26.401 44.081 5.857 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 -26.947 42.518 5.480 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 -27.923 43.559 6.399 1.00 10.00 H new ATOM 554 N PRO A 38 -24.879 37.030 10.850 1.00 10.00 N ATOM 555 CA PRO A 38 -25.260 35.640 10.711 1.00 10.00 C ATOM 556 C PRO A 38 -26.543 35.175 10.038 1.00 10.00 C ATOM 557 O PRO A 38 -26.529 34.907 8.839 1.00 10.00 O ATOM 558 CB PRO A 38 -24.864 34.898 11.980 1.00 10.00 C ATOM 559 CG PRO A 38 -24.026 35.899 12.784 1.00 10.00 C ATOM 560 CD PRO A 38 -23.889 37.143 11.905 1.00 10.00 C ATOM 0 HA PRO A 38 -24.685 35.340 9.835 1.00 10.00 H new ATOM 0 HB2 PRO A 38 -25.743 34.580 12.541 1.00 10.00 H new ATOM 0 HB3 PRO A 38 -24.291 34.000 11.749 1.00 10.00 H new ATOM 0 HG2 PRO A 38 -24.511 36.142 13.730 1.00 10.00 H new ATOM 0 HG3 PRO A 38 -23.048 35.483 13.025 1.00 10.00 H new ATOM 0 HD2 PRO A 38 -24.051 38.048 12.490 1.00 10.00 H new ATOM 0 HD3 PRO A 38 -22.885 37.210 11.486 1.00 10.00 H new ATOM 568 N SER A 39 -27.639 35.007 10.766 1.00 10.00 N ATOM 569 CA SER A 39 -28.823 34.358 10.230 1.00 10.00 C ATOM 570 C SER A 39 -29.629 35.238 9.269 1.00 10.00 C ATOM 571 O SER A 39 -30.753 34.876 8.926 1.00 10.00 O ATOM 572 CB SER A 39 -29.625 33.688 11.339 1.00 10.00 C ATOM 573 OG SER A 39 -30.103 34.620 12.300 1.00 10.00 O ATOM 0 H SER A 39 -27.730 35.314 11.734 1.00 10.00 H new ATOM 0 HA SER A 39 -28.493 33.550 9.577 1.00 10.00 H new ATOM 0 HB2 SER A 39 -30.470 33.155 10.902 1.00 10.00 H new ATOM 0 HB3 SER A 39 -29.002 32.945 11.836 1.00 10.00 H new ATOM 0 HG SER A 39 -30.612 34.146 12.990 1.00 10.00 H new ATOM 579 N ASP A 40 -29.072 36.392 8.853 1.00 10.00 N ATOM 580 CA ASP A 40 -29.570 37.218 7.748 1.00 10.00 C ATOM 581 C ASP A 40 -29.782 36.267 6.564 1.00 10.00 C ATOM 582 O ASP A 40 -28.813 35.785 5.983 1.00 10.00 O ATOM 583 CB ASP A 40 -28.609 38.364 7.405 1.00 10.00 C ATOM 584 CG ASP A 40 -29.087 39.106 6.146 1.00 10.00 C ATOM 585 OD1 ASP A 40 -29.973 39.982 6.273 1.00 10.00 O ATOM 586 OD2 ASP A 40 -28.600 38.798 5.033 1.00 10.00 O ATOM 0 H ASP A 40 -28.239 36.782 9.293 1.00 10.00 H new ATOM 0 HA ASP A 40 -30.503 37.710 8.021 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -28.548 39.059 8.243 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -27.606 37.970 7.244 1.00 10.00 H new ATOM 591 N PRO A 41 -31.023 35.930 6.196 1.00 10.00 N ATOM 592 CA PRO A 41 -31.243 34.835 5.267 1.00 10.00 C ATOM 593 C PRO A 41 -30.740 35.083 3.854 1.00 10.00 C ATOM 594 O PRO A 41 -30.427 34.129 3.153 1.00 10.00 O ATOM 595 CB PRO A 41 -32.744 34.599 5.300 1.00 10.00 C ATOM 596 CG PRO A 41 -33.319 35.966 5.683 1.00 10.00 C ATOM 597 CD PRO A 41 -32.272 36.529 6.631 1.00 10.00 C ATOM 0 HA PRO A 41 -30.665 33.964 5.574 1.00 10.00 H new ATOM 0 HB2 PRO A 41 -33.118 34.264 4.332 1.00 10.00 H new ATOM 0 HB3 PRO A 41 -33.013 33.833 6.028 1.00 10.00 H new ATOM 0 HG2 PRO A 41 -33.457 36.604 4.810 1.00 10.00 H new ATOM 0 HG3 PRO A 41 -34.292 35.873 6.166 1.00 10.00 H new ATOM 0 HD2 PRO A 41 -32.231 37.617 6.575 1.00 10.00 H new ATOM 0 HD3 PRO A 41 -32.496 36.272 7.666 1.00 10.00 H new ATOM 605 N ALA A 42 -30.617 36.335 3.427 1.00 10.00 N ATOM 606 CA ALA A 42 -30.075 36.667 2.128 1.00 10.00 C ATOM 607 C ALA A 42 -28.590 36.253 1.993 1.00 10.00 C ATOM 608 O ALA A 42 -28.216 35.644 0.987 1.00 10.00 O ATOM 609 CB ALA A 42 -30.352 38.153 1.911 1.00 10.00 C ATOM 0 H ALA A 42 -30.893 37.147 3.979 1.00 10.00 H new ATOM 0 HA ALA A 42 -30.556 36.100 1.331 1.00 10.00 H new ATOM 0 HB1 ALA A 42 -29.961 38.458 0.940 1.00 10.00 H new ATOM 0 HB2 ALA A 42 -31.427 38.331 1.942 1.00 10.00 H new ATOM 0 HB3 ALA A 42 -29.866 38.732 2.696 1.00 10.00 H new ATOM 615 N LEU A 43 -27.754 36.497 3.016 1.00 10.00 N ATOM 616 CA LEU A 43 -26.380 35.993 3.086 1.00 10.00 C ATOM 617 C LEU A 43 -26.270 34.525 3.553 1.00 10.00 C ATOM 618 O LEU A 43 -25.497 33.763 2.973 1.00 10.00 O ATOM 619 CB LEU A 43 -25.528 36.983 3.903 1.00 10.00 C ATOM 620 CG LEU A 43 -25.694 36.919 5.418 1.00 10.00 C ATOM 621 CD1 LEU A 43 -24.802 35.878 6.033 1.00 10.00 C ATOM 622 CD2 LEU A 43 -25.185 38.154 6.139 1.00 10.00 C ATOM 0 H LEU A 43 -28.021 37.057 3.826 1.00 10.00 H new ATOM 0 HA LEU A 43 -25.976 35.947 2.075 1.00 10.00 H new ATOM 0 HB2 LEU A 43 -24.478 36.810 3.665 1.00 10.00 H new ATOM 0 HB3 LEU A 43 -25.767 37.994 3.574 1.00 10.00 H new ATOM 0 HG LEU A 43 -26.765 36.751 5.530 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -24.950 35.864 7.113 1.00 10.00 H new ATOM 0 HD12 LEU A 43 -25.047 34.899 5.620 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -23.761 36.115 5.813 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -25.336 38.037 7.212 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -24.122 38.283 5.934 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -25.731 39.030 5.789 1.00 10.00 H new ATOM 634 N LEU A 44 -27.020 34.096 4.579 1.00 10.00 N ATOM 635 CA LEU A 44 -26.984 32.719 5.103 1.00 10.00 C ATOM 636 C LEU A 44 -27.474 31.747 4.039 1.00 10.00 C ATOM 637 O LEU A 44 -26.932 30.651 3.933 1.00 10.00 O ATOM 638 CB LEU A 44 -27.725 32.644 6.466 1.00 10.00 C ATOM 639 CG LEU A 44 -28.618 31.449 6.863 1.00 10.00 C ATOM 640 CD1 LEU A 44 -29.716 31.029 5.884 1.00 10.00 C ATOM 641 CD2 LEU A 44 -27.810 30.200 7.134 1.00 10.00 C ATOM 0 H LEU A 44 -27.676 34.700 5.074 1.00 10.00 H new ATOM 0 HA LEU A 44 -25.962 32.412 5.323 1.00 10.00 H new ATOM 0 HB2 LEU A 44 -26.963 32.734 7.240 1.00 10.00 H new ATOM 0 HB3 LEU A 44 -28.350 33.535 6.530 1.00 10.00 H new ATOM 0 HG LEU A 44 -29.106 31.852 7.750 1.00 10.00 H new ATOM 0 HD11 LEU A 44 -30.262 30.179 6.293 1.00 10.00 H new ATOM 0 HD12 LEU A 44 -30.403 31.861 5.729 1.00 10.00 H new ATOM 0 HD13 LEU A 44 -29.266 30.747 4.932 1.00 10.00 H new ATOM 0 HD21 LEU A 44 -28.480 29.386 7.410 1.00 10.00 H new ATOM 0 HD22 LEU A 44 -27.254 29.925 6.238 1.00 10.00 H new ATOM 0 HD23 LEU A 44 -27.112 30.388 7.950 1.00 10.00 H new ATOM 653 N ALA A 45 -28.440 32.117 3.195 1.00 10.00 N ATOM 654 CA ALA A 45 -28.857 31.203 2.156 1.00 10.00 C ATOM 655 C ALA A 45 -27.848 31.156 1.001 1.00 10.00 C ATOM 656 O ALA A 45 -27.684 30.106 0.384 1.00 10.00 O ATOM 657 CB ALA A 45 -30.285 31.485 1.684 1.00 10.00 C ATOM 0 H ALA A 45 -28.927 33.013 3.215 1.00 10.00 H new ATOM 0 HA ALA A 45 -28.873 30.204 2.591 1.00 10.00 H new ATOM 0 HB1 ALA A 45 -30.557 30.775 0.903 1.00 10.00 H new ATOM 0 HB2 ALA A 45 -30.973 31.382 2.523 1.00 10.00 H new ATOM 0 HB3 ALA A 45 -30.344 32.499 1.289 1.00 10.00 H new ATOM 663 N ALA A 46 -27.113 32.240 0.734 1.00 10.00 N ATOM 664 CA ALA A 46 -25.983 32.204 -0.182 1.00 10.00 C ATOM 665 C ALA A 46 -24.844 31.328 0.369 1.00 10.00 C ATOM 666 O ALA A 46 -24.217 30.585 -0.380 1.00 10.00 O ATOM 667 CB ALA A 46 -25.494 33.620 -0.474 1.00 10.00 C ATOM 0 H ALA A 46 -27.287 33.157 1.146 1.00 10.00 H new ATOM 0 HA ALA A 46 -26.316 31.754 -1.117 1.00 10.00 H new ATOM 0 HB1 ALA A 46 -24.648 33.579 -1.161 1.00 10.00 H new ATOM 0 HB2 ALA A 46 -26.300 34.197 -0.926 1.00 10.00 H new ATOM 0 HB3 ALA A 46 -25.183 34.097 0.456 1.00 10.00 H new ATOM 673 N TYR A 47 -24.621 31.332 1.685 1.00 10.00 N ATOM 674 CA TYR A 47 -23.720 30.406 2.355 1.00 10.00 C ATOM 675 C TYR A 47 -24.160 28.981 2.175 1.00 10.00 C ATOM 676 O TYR A 47 -23.394 28.169 1.669 1.00 10.00 O ATOM 677 CB TYR A 47 -23.658 30.709 3.842 1.00 10.00 C ATOM 678 CG TYR A 47 -22.798 29.732 4.634 1.00 10.00 C ATOM 679 CD1 TYR A 47 -21.417 29.627 4.391 1.00 10.00 C ATOM 680 CD2 TYR A 47 -23.411 28.828 5.529 1.00 10.00 C ATOM 681 CE1 TYR A 47 -20.655 28.625 5.020 1.00 10.00 C ATOM 682 CE2 TYR A 47 -22.648 27.846 6.189 1.00 10.00 C ATOM 683 CZ TYR A 47 -21.265 27.735 5.928 1.00 10.00 C ATOM 684 OH TYR A 47 -20.520 26.771 6.535 1.00 10.00 O ATOM 0 H TYR A 47 -25.071 31.991 2.321 1.00 10.00 H new ATOM 0 HA TYR A 47 -22.736 30.534 1.904 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -23.268 31.717 3.982 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -24.670 30.699 4.248 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -20.937 30.321 3.716 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -24.474 28.890 5.709 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -19.600 28.537 4.807 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -23.120 27.178 6.894 1.00 10.00 H new ATOM 0 HH TYR A 47 -21.091 26.243 7.131 1.00 10.00 H new ATOM 694 N GLN A 48 -25.405 28.691 2.548 1.00 10.00 N ATOM 695 CA GLN A 48 -25.916 27.335 2.495 1.00 10.00 C ATOM 696 C GLN A 48 -26.024 26.829 1.042 1.00 10.00 C ATOM 697 O GLN A 48 -26.022 25.628 0.780 1.00 10.00 O ATOM 698 CB GLN A 48 -27.150 27.171 3.384 1.00 10.00 C ATOM 699 CG GLN A 48 -28.461 27.635 2.784 1.00 10.00 C ATOM 700 CD GLN A 48 -29.372 26.536 2.217 1.00 10.00 C ATOM 701 OE1 GLN A 48 -28.891 25.589 1.435 1.00 10.00 O flip ATOM 702 NE2 GLN A 48 -30.567 26.507 2.479 1.00 10.00 N flip ATOM 0 H GLN A 48 -26.074 29.381 2.889 1.00 10.00 H new ATOM 0 HA GLN A 48 -25.196 26.649 2.940 1.00 10.00 H new ATOM 0 HB2 GLN A 48 -27.246 26.118 3.649 1.00 10.00 H new ATOM 0 HB3 GLN A 48 -26.982 27.719 4.311 1.00 10.00 H new ATOM 0 HG2 GLN A 48 -29.015 28.179 3.549 1.00 10.00 H new ATOM 0 HG3 GLN A 48 -28.241 28.344 1.986 1.00 10.00 H new ATOM 0 HE21 GLN A 48 -30.975 27.223 3.081 1.00 10.00 H new ATOM 0 HE22 GLN A 48 -31.155 25.767 2.096 1.00 10.00 H new ATOM 711 N SER A 49 -26.087 27.760 0.088 1.00 10.00 N ATOM 712 CA SER A 49 -25.962 27.509 -1.347 1.00 10.00 C ATOM 713 C SER A 49 -24.538 27.098 -1.701 1.00 10.00 C ATOM 714 O SER A 49 -24.323 26.051 -2.303 1.00 10.00 O ATOM 715 CB SER A 49 -26.311 28.749 -2.200 1.00 10.00 C ATOM 716 OG SER A 49 -27.695 29.034 -2.124 1.00 10.00 O ATOM 0 H SER A 49 -26.232 28.746 0.303 1.00 10.00 H new ATOM 0 HA SER A 49 -26.669 26.710 -1.570 1.00 10.00 H new ATOM 0 HB2 SER A 49 -25.738 29.609 -1.853 1.00 10.00 H new ATOM 0 HB3 SER A 49 -26.027 28.575 -3.238 1.00 10.00 H new ATOM 0 HG SER A 49 -27.901 29.426 -1.250 1.00 10.00 H new ATOM 722 N LYS A 50 -23.547 27.895 -1.294 1.00 10.00 N ATOM 723 CA LYS A 50 -22.125 27.678 -1.572 1.00 10.00 C ATOM 724 C LYS A 50 -21.583 26.410 -0.913 1.00 10.00 C ATOM 725 O LYS A 50 -20.829 25.675 -1.532 1.00 10.00 O ATOM 726 CB LYS A 50 -21.351 28.946 -1.171 1.00 10.00 C ATOM 727 CG LYS A 50 -21.726 30.125 -2.086 1.00 10.00 C ATOM 728 CD LYS A 50 -20.612 30.489 -3.054 1.00 10.00 C ATOM 729 CE LYS A 50 -20.271 29.380 -4.053 1.00 10.00 C ATOM 730 NZ LYS A 50 -20.721 29.723 -5.433 1.00 10.00 N ATOM 0 H LYS A 50 -23.718 28.737 -0.744 1.00 10.00 H new ATOM 0 HA LYS A 50 -21.988 27.505 -2.640 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -21.571 29.200 -0.134 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -20.279 28.758 -1.232 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -22.624 29.872 -2.650 1.00 10.00 H new ATOM 0 HG3 LYS A 50 -21.968 30.993 -1.473 1.00 10.00 H new ATOM 0 HD2 LYS A 50 -20.901 31.384 -3.605 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -19.717 30.740 -2.485 1.00 10.00 H new ATOM 0 HE2 LYS A 50 -19.195 29.209 -4.053 1.00 10.00 H new ATOM 0 HE3 LYS A 50 -20.742 28.449 -3.738 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 -20.473 28.949 -6.082 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 -21.752 29.862 -5.438 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 -20.253 30.598 -5.743 1.00 10.00 H new ATOM 744 N LEU A 51 -22.048 26.113 0.292 1.00 10.00 N ATOM 745 CA LEU A 51 -21.892 24.886 1.075 1.00 10.00 C ATOM 746 C LEU A 51 -22.313 23.654 0.262 1.00 10.00 C ATOM 747 O LEU A 51 -21.646 22.621 0.304 1.00 10.00 O ATOM 748 CB LEU A 51 -22.729 25.182 2.342 1.00 10.00 C ATOM 749 CG LEU A 51 -23.328 24.108 3.270 1.00 10.00 C ATOM 750 CD1 LEU A 51 -24.115 24.847 4.369 1.00 10.00 C ATOM 751 CD2 LEU A 51 -24.339 23.172 2.598 1.00 10.00 C ATOM 0 H LEU A 51 -22.605 26.797 0.804 1.00 10.00 H new ATOM 0 HA LEU A 51 -20.867 24.634 1.348 1.00 10.00 H new ATOM 0 HB2 LEU A 51 -22.104 25.811 2.975 1.00 10.00 H new ATOM 0 HB3 LEU A 51 -23.567 25.795 2.012 1.00 10.00 H new ATOM 0 HG LEU A 51 -22.492 23.502 3.620 1.00 10.00 H new ATOM 0 HD11 LEU A 51 -24.557 24.121 5.051 1.00 10.00 H new ATOM 0 HD12 LEU A 51 -23.441 25.500 4.923 1.00 10.00 H new ATOM 0 HD13 LEU A 51 -24.905 25.444 3.912 1.00 10.00 H new ATOM 0 HD21 LEU A 51 -24.707 22.450 3.327 1.00 10.00 H new ATOM 0 HD22 LEU A 51 -25.175 23.756 2.212 1.00 10.00 H new ATOM 0 HD23 LEU A 51 -23.855 22.644 1.776 1.00 10.00 H new ATOM 763 N SER A 52 -23.370 23.779 -0.540 1.00 10.00 N ATOM 764 CA SER A 52 -23.770 22.768 -1.509 1.00 10.00 C ATOM 765 C SER A 52 -22.951 22.819 -2.794 1.00 10.00 C ATOM 766 O SER A 52 -22.539 21.773 -3.286 1.00 10.00 O ATOM 767 CB SER A 52 -25.244 22.895 -1.879 1.00 10.00 C ATOM 768 OG SER A 52 -26.092 22.901 -0.739 1.00 10.00 O ATOM 0 H SER A 52 -23.978 24.598 -0.532 1.00 10.00 H new ATOM 0 HA SER A 52 -23.588 21.814 -1.015 1.00 10.00 H new ATOM 0 HB2 SER A 52 -25.395 23.814 -2.445 1.00 10.00 H new ATOM 0 HB3 SER A 52 -25.524 22.068 -2.532 1.00 10.00 H new ATOM 0 HG SER A 52 -26.024 23.767 -0.286 1.00 10.00 H new ATOM 774 N GLU A 53 -22.648 24.009 -3.325 1.00 10.00 N ATOM 775 CA GLU A 53 -21.801 24.167 -4.500 1.00 10.00 C ATOM 776 C GLU A 53 -20.416 23.539 -4.304 1.00 10.00 C ATOM 777 O GLU A 53 -19.800 23.070 -5.252 1.00 10.00 O ATOM 778 CB GLU A 53 -21.533 25.610 -4.882 1.00 10.00 C ATOM 779 CG GLU A 53 -22.578 26.540 -5.461 1.00 10.00 C ATOM 780 CD GLU A 53 -23.342 25.947 -6.660 1.00 10.00 C ATOM 781 OE1 GLU A 53 -22.721 25.728 -7.727 1.00 10.00 O ATOM 782 OE2 GLU A 53 -24.573 25.730 -6.551 1.00 10.00 O ATOM 0 H GLU A 53 -22.989 24.892 -2.945 1.00 10.00 H new ATOM 0 HA GLU A 53 -22.373 23.670 -5.283 1.00 10.00 H new ATOM 0 HB2 GLU A 53 -21.156 26.098 -3.983 1.00 10.00 H new ATOM 0 HB3 GLU A 53 -20.714 25.588 -5.600 1.00 10.00 H new ATOM 0 HG2 GLU A 53 -23.292 26.800 -4.680 1.00 10.00 H new ATOM 0 HG3 GLU A 53 -22.094 27.466 -5.772 1.00 10.00 H new ATOM 789 N TYR A 54 -19.903 23.557 -3.079 1.00 10.00 N ATOM 790 CA TYR A 54 -18.632 22.959 -2.710 1.00 10.00 C ATOM 791 C TYR A 54 -18.707 21.428 -2.759 1.00 10.00 C ATOM 792 O TYR A 54 -17.791 20.782 -3.271 1.00 10.00 O ATOM 793 CB TYR A 54 -18.157 23.557 -1.379 1.00 10.00 C ATOM 794 CG TYR A 54 -17.582 22.581 -0.408 1.00 10.00 C ATOM 795 CD1 TYR A 54 -16.311 22.059 -0.668 1.00 10.00 C ATOM 796 CD2 TYR A 54 -18.308 22.190 0.726 1.00 10.00 C ATOM 797 CE1 TYR A 54 -15.759 21.126 0.211 1.00 10.00 C ATOM 798 CE2 TYR A 54 -17.761 21.250 1.608 1.00 10.00 C ATOM 799 CZ TYR A 54 -16.475 20.714 1.361 1.00 10.00 C ATOM 800 OH TYR A 54 -15.924 19.812 2.218 1.00 10.00 O ATOM 0 H TYR A 54 -20.377 24.003 -2.294 1.00 10.00 H new ATOM 0 HA TYR A 54 -17.861 23.206 -3.440 1.00 10.00 H new ATOM 0 HB2 TYR A 54 -17.407 24.319 -1.590 1.00 10.00 H new ATOM 0 HB3 TYR A 54 -18.999 24.061 -0.906 1.00 10.00 H new ATOM 0 HD1 TYR A 54 -15.761 22.375 -1.542 1.00 10.00 H new ATOM 0 HD2 TYR A 54 -19.284 22.611 0.918 1.00 10.00 H new ATOM 0 HE1 TYR A 54 -14.780 20.716 0.013 1.00 10.00 H new ATOM 0 HE2 TYR A 54 -18.320 20.934 2.476 1.00 10.00 H new ATOM 0 HH TYR A 54 -16.546 19.639 2.955 1.00 10.00 H new ATOM 843 N TYR A 57 -18.689 20.890 -6.454 1.00 10.00 N ATOM 844 CA TYR A 57 -17.295 20.883 -6.871 1.00 10.00 C ATOM 845 C TYR A 57 -16.754 19.450 -6.676 1.00 10.00 C ATOM 846 O TYR A 57 -16.134 18.877 -7.566 1.00 10.00 O ATOM 847 CB TYR A 57 -16.458 21.975 -6.176 1.00 10.00 C ATOM 848 CG TYR A 57 -14.994 21.599 -6.212 1.00 10.00 C ATOM 849 CD1 TYR A 57 -14.197 21.905 -7.331 1.00 10.00 C ATOM 850 CD2 TYR A 57 -14.538 20.688 -5.249 1.00 10.00 C ATOM 851 CE1 TYR A 57 -12.959 21.254 -7.504 1.00 10.00 C ATOM 852 CE2 TYR A 57 -13.337 19.989 -5.446 1.00 10.00 C ATOM 853 CZ TYR A 57 -12.544 20.271 -6.577 1.00 10.00 C ATOM 854 OH TYR A 57 -11.399 19.573 -6.784 1.00 10.00 O ATOM 0 HA TYR A 57 -17.216 21.145 -7.926 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -16.609 22.933 -6.673 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -16.787 22.096 -5.144 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -14.532 22.635 -8.053 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -15.114 20.523 -4.350 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -12.328 21.506 -8.344 1.00 10.00 H new ATOM 0 HE2 TYR A 57 -13.022 19.239 -4.735 1.00 10.00 H new ATOM 0 HH TYR A 57 -10.700 19.905 -6.182 1.00 10.00 H new ATOM 864 N ARG A 58 -17.086 18.839 -5.530 1.00 10.00 N ATOM 865 CA ARG A 58 -16.801 17.454 -5.137 1.00 10.00 C ATOM 866 C ARG A 58 -17.443 16.425 -6.080 1.00 10.00 C ATOM 867 O ARG A 58 -16.815 15.425 -6.421 1.00 10.00 O ATOM 868 CB ARG A 58 -17.264 17.289 -3.666 1.00 10.00 C ATOM 869 CG ARG A 58 -16.184 16.878 -2.662 1.00 10.00 C ATOM 870 CD ARG A 58 -15.154 18.009 -2.500 1.00 10.00 C ATOM 871 NE ARG A 58 -13.908 17.592 -1.825 1.00 10.00 N ATOM 872 CZ ARG A 58 -13.654 17.577 -0.530 1.00 10.00 C ATOM 873 NH1 ARG A 58 -14.588 17.731 0.361 1.00 10.00 N ATOM 874 NH2 ARG A 58 -12.429 17.438 -0.116 1.00 10.00 N ATOM 0 H ARG A 58 -17.598 19.337 -4.802 1.00 10.00 H new ATOM 0 HA ARG A 58 -15.732 17.257 -5.216 1.00 10.00 H new ATOM 0 HB2 ARG A 58 -17.699 18.232 -3.335 1.00 10.00 H new ATOM 0 HB3 ARG A 58 -18.059 16.544 -3.638 1.00 10.00 H new ATOM 0 HG2 ARG A 58 -16.640 16.650 -1.699 1.00 10.00 H new ATOM 0 HG3 ARG A 58 -15.687 15.969 -3.002 1.00 10.00 H new ATOM 0 HD2 ARG A 58 -14.907 18.406 -3.485 1.00 10.00 H new ATOM 0 HD3 ARG A 58 -15.608 18.822 -1.933 1.00 10.00 H new ATOM 0 HE ARG A 58 -13.152 17.278 -2.434 1.00 10.00 H new ATOM 0 HH11 ARG A 58 -15.555 17.869 0.067 1.00 10.00 H new ATOM 0 HH12 ARG A 58 -14.354 17.714 1.354 1.00 10.00 H new ATOM 0 HH21 ARG A 58 -11.670 17.341 -0.791 1.00 10.00 H new ATOM 0 HH22 ARG A 58 -12.227 17.426 0.884 1.00 10.00 H new ATOM 888 N ASN A 59 -18.660 16.702 -6.553 1.00 10.00 N ATOM 889 CA ASN A 59 -19.407 15.891 -7.515 1.00 10.00 C ATOM 890 C ASN A 59 -18.779 15.928 -8.918 1.00 10.00 C ATOM 891 O ASN A 59 -18.571 14.898 -9.557 1.00 10.00 O ATOM 892 CB ASN A 59 -20.877 16.366 -7.561 1.00 10.00 C ATOM 893 CG ASN A 59 -21.779 15.335 -8.222 1.00 10.00 C ATOM 894 OD1 ASN A 59 -21.806 14.168 -7.855 1.00 10.00 O ATOM 895 ND2 ASN A 59 -22.543 15.719 -9.220 1.00 10.00 N ATOM 0 H ASN A 59 -19.174 17.534 -6.263 1.00 10.00 H new ATOM 0 HA ASN A 59 -19.369 14.854 -7.182 1.00 10.00 H new ATOM 0 HB2 ASN A 59 -21.229 16.561 -6.548 1.00 10.00 H new ATOM 0 HB3 ASN A 59 -20.939 17.307 -8.107 1.00 10.00 H new ATOM 0 HD21 ASN A 59 -23.153 15.046 -9.683 1.00 10.00 H new ATOM 0 HD22 ASN A 59 -22.526 16.690 -9.531 1.00 10.00 H new ATOM 902 N ALA A 60 -18.419 17.127 -9.371 1.00 10.00 N ATOM 903 CA ALA A 60 -17.648 17.382 -10.575 1.00 10.00 C ATOM 904 C ALA A 60 -16.257 16.739 -10.483 1.00 10.00 C ATOM 905 O ALA A 60 -15.812 16.108 -11.440 1.00 10.00 O ATOM 906 CB ALA A 60 -17.607 18.899 -10.791 1.00 10.00 C ATOM 0 H ALA A 60 -18.672 17.985 -8.881 1.00 10.00 H new ATOM 0 HA ALA A 60 -18.116 16.922 -11.446 1.00 10.00 H new ATOM 0 HB1 ALA A 60 -17.033 19.123 -11.690 1.00 10.00 H new ATOM 0 HB2 ALA A 60 -18.623 19.278 -10.905 1.00 10.00 H new ATOM 0 HB3 ALA A 60 -17.136 19.376 -9.932 1.00 10.00 H new ATOM 912 N GLN A 61 -15.641 16.746 -9.295 1.00 10.00 N ATOM 913 CA GLN A 61 -14.426 16.009 -8.938 1.00 10.00 C ATOM 914 C GLN A 61 -14.658 14.510 -8.639 1.00 10.00 C ATOM 915 O GLN A 61 -13.976 13.853 -7.853 1.00 10.00 O ATOM 916 CB GLN A 61 -13.635 16.753 -7.878 1.00 10.00 C ATOM 917 CG GLN A 61 -12.139 16.378 -7.949 1.00 10.00 C ATOM 918 CD GLN A 61 -11.360 17.016 -9.097 1.00 10.00 C ATOM 919 OE1 GLN A 61 -11.589 18.136 -9.531 1.00 10.00 O ATOM 920 NE2 GLN A 61 -10.403 16.304 -9.652 1.00 10.00 N ATOM 0 H GLN A 61 -15.998 17.297 -8.515 1.00 10.00 H new ATOM 0 HA GLN A 61 -13.797 15.976 -9.828 1.00 10.00 H new ATOM 0 HB2 GLN A 61 -13.753 17.828 -8.017 1.00 10.00 H new ATOM 0 HB3 GLN A 61 -14.028 16.515 -6.890 1.00 10.00 H new ATOM 0 HG2 GLN A 61 -11.665 16.661 -7.009 1.00 10.00 H new ATOM 0 HG3 GLN A 61 -12.057 15.294 -8.034 1.00 10.00 H new ATOM 0 HE21 GLN A 61 -10.197 15.368 -9.304 1.00 10.00 H new ATOM 0 HE22 GLN A 61 -9.867 16.688 -10.430 1.00 10.00 H new ATOM 929 N SER A 62 -15.665 13.989 -9.320 1.00 10.00 N ATOM 930 CA SER A 62 -16.050 12.593 -9.491 1.00 10.00 C ATOM 931 C SER A 62 -16.634 12.366 -10.901 1.00 10.00 C ATOM 932 O SER A 62 -17.289 11.361 -11.175 1.00 10.00 O ATOM 933 CB SER A 62 -17.001 12.181 -8.371 1.00 10.00 C ATOM 934 OG SER A 62 -17.086 10.765 -8.268 1.00 10.00 O ATOM 0 H SER A 62 -16.306 14.602 -9.824 1.00 10.00 H new ATOM 0 HA SER A 62 -15.173 11.950 -9.417 1.00 10.00 H new ATOM 0 HB2 SER A 62 -16.656 12.598 -7.425 1.00 10.00 H new ATOM 0 HB3 SER A 62 -17.991 12.595 -8.560 1.00 10.00 H new ATOM 0 HG SER A 62 -17.700 10.526 -7.543 1.00 10.00 H new ATOM 940 N ASN A 63 -16.353 13.304 -11.817 1.00 10.00 N ATOM 941 CA ASN A 63 -16.716 13.317 -13.228 1.00 10.00 C ATOM 942 C ASN A 63 -15.505 13.622 -14.115 1.00 10.00 C ATOM 943 O ASN A 63 -15.180 12.888 -15.040 1.00 10.00 O ATOM 944 CB ASN A 63 -17.834 14.363 -13.398 1.00 10.00 C ATOM 945 CG ASN A 63 -18.778 14.081 -14.560 1.00 10.00 C ATOM 946 OD1 ASN A 63 -18.638 13.128 -15.313 1.00 10.00 O ATOM 947 ND2 ASN A 63 -19.777 14.913 -14.747 1.00 10.00 N ATOM 0 H ASN A 63 -15.823 14.137 -11.562 1.00 10.00 H new ATOM 0 HA ASN A 63 -17.070 12.336 -13.543 1.00 10.00 H new ATOM 0 HB2 ASN A 63 -18.414 14.412 -12.476 1.00 10.00 H new ATOM 0 HB3 ASN A 63 -17.381 15.344 -13.542 1.00 10.00 H new ATOM 0 HD21 ASN A 63 -20.429 14.762 -15.516 1.00 10.00 H new ATOM 0 HD22 ASN A 63 -19.900 15.710 -14.123 1.00 10.00 H new ATOM 954 N THR A 64 -14.752 14.649 -13.744 1.00 10.00 N ATOM 955 CA THR A 64 -13.430 14.993 -14.289 1.00 10.00 C ATOM 956 C THR A 64 -12.428 13.838 -14.213 1.00 10.00 C ATOM 957 O THR A 64 -11.716 13.512 -15.151 1.00 10.00 O ATOM 958 CB THR A 64 -12.926 16.208 -13.527 1.00 10.00 C ATOM 959 OG1 THR A 64 -11.760 16.753 -14.080 1.00 10.00 O ATOM 960 CG2 THR A 64 -12.740 15.903 -12.049 1.00 10.00 C ATOM 0 H THR A 64 -15.054 15.301 -13.020 1.00 10.00 H new ATOM 0 HA THR A 64 -13.531 15.211 -15.352 1.00 10.00 H new ATOM 0 HB THR A 64 -13.701 16.968 -13.622 1.00 10.00 H new ATOM 0 HG1 THR A 64 -11.010 16.141 -13.930 1.00 10.00 H new ATOM 0 HG21 THR A 64 -12.379 16.794 -11.536 1.00 10.00 H new ATOM 0 HG22 THR A 64 -13.693 15.597 -11.618 1.00 10.00 H new ATOM 0 HG23 THR A 64 -12.014 15.098 -11.932 1.00 10.00 H new ATOM 968 N VAL A 65 -12.525 13.100 -13.118 1.00 10.00 N ATOM 969 CA VAL A 65 -11.896 11.820 -12.767 1.00 10.00 C ATOM 970 C VAL A 65 -12.069 10.735 -13.846 1.00 10.00 C ATOM 971 O VAL A 65 -11.249 9.830 -13.989 1.00 10.00 O ATOM 972 CB VAL A 65 -12.537 11.358 -11.440 1.00 10.00 C ATOM 973 CG1 VAL A 65 -11.659 10.346 -10.712 1.00 10.00 C ATOM 974 CG2 VAL A 65 -12.768 12.520 -10.479 1.00 10.00 C ATOM 0 H VAL A 65 -13.120 13.419 -12.353 1.00 10.00 H new ATOM 0 HA VAL A 65 -10.820 11.969 -12.676 1.00 10.00 H new ATOM 0 HB VAL A 65 -13.489 10.908 -11.721 1.00 10.00 H new ATOM 0 HG11 VAL A 65 -12.144 10.045 -9.783 1.00 10.00 H new ATOM 0 HG12 VAL A 65 -11.512 9.471 -11.345 1.00 10.00 H new ATOM 0 HG13 VAL A 65 -10.693 10.798 -10.487 1.00 10.00 H new ATOM 0 HG21 VAL A 65 -13.220 12.148 -9.560 1.00 10.00 H new ATOM 0 HG22 VAL A 65 -11.815 12.996 -10.248 1.00 10.00 H new ATOM 0 HG23 VAL A 65 -13.434 13.248 -10.942 1.00 10.00 H new ATOM 984 N LYS A 66 -13.140 10.875 -14.632 1.00 10.00 N ATOM 985 CA LYS A 66 -13.673 10.005 -15.676 1.00 10.00 C ATOM 986 C LYS A 66 -13.720 10.711 -17.045 1.00 10.00 C ATOM 987 O LYS A 66 -14.280 10.199 -18.012 1.00 10.00 O ATOM 988 CB LYS A 66 -15.065 9.575 -15.194 1.00 10.00 C ATOM 989 CG LYS A 66 -15.037 8.642 -13.964 1.00 10.00 C ATOM 990 CD LYS A 66 -16.318 8.827 -13.142 1.00 10.00 C ATOM 991 CE LYS A 66 -16.232 8.116 -11.786 1.00 10.00 C ATOM 992 NZ LYS A 66 -17.363 8.505 -10.903 1.00 10.00 N ATOM 0 H LYS A 66 -13.724 11.706 -14.536 1.00 10.00 H new ATOM 0 HA LYS A 66 -13.032 9.138 -15.834 1.00 10.00 H new ATOM 0 HB2 LYS A 66 -15.646 10.465 -14.951 1.00 10.00 H new ATOM 0 HB3 LYS A 66 -15.582 9.070 -16.010 1.00 10.00 H new ATOM 0 HG2 LYS A 66 -14.947 7.604 -14.285 1.00 10.00 H new ATOM 0 HG3 LYS A 66 -14.164 8.862 -13.349 1.00 10.00 H new ATOM 0 HD2 LYS A 66 -16.498 9.890 -12.984 1.00 10.00 H new ATOM 0 HD3 LYS A 66 -17.169 8.439 -13.702 1.00 10.00 H new ATOM 0 HE2 LYS A 66 -16.240 7.037 -11.937 1.00 10.00 H new ATOM 0 HE3 LYS A 66 -15.287 8.363 -11.302 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 -17.168 8.191 -9.931 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 -17.475 9.539 -10.917 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 -18.238 8.057 -11.242 1.00 10.00 H new ATOM 1006 N VAL A 67 -13.056 11.864 -17.122 1.00 10.00 N ATOM 1007 CA VAL A 67 -12.726 12.684 -18.280 1.00 10.00 C ATOM 1008 C VAL A 67 -11.226 12.696 -18.509 1.00 10.00 C ATOM 1009 O VAL A 67 -10.775 12.735 -19.648 1.00 10.00 O ATOM 1010 CB VAL A 67 -13.250 14.096 -18.033 1.00 10.00 C ATOM 1011 CG1 VAL A 67 -12.566 15.183 -18.841 1.00 10.00 C ATOM 1012 CG2 VAL A 67 -14.752 14.068 -18.234 1.00 10.00 C ATOM 0 H VAL A 67 -12.695 12.293 -16.270 1.00 10.00 H new ATOM 0 HA VAL A 67 -13.191 12.273 -19.176 1.00 10.00 H new ATOM 0 HB VAL A 67 -13.006 14.378 -17.009 1.00 10.00 H new ATOM 0 HG11 VAL A 67 -13.007 16.150 -18.597 1.00 10.00 H new ATOM 0 HG12 VAL A 67 -11.502 15.198 -18.603 1.00 10.00 H new ATOM 0 HG13 VAL A 67 -12.697 14.983 -19.904 1.00 10.00 H new ATOM 0 HG21 VAL A 67 -15.160 15.064 -18.065 1.00 10.00 H new ATOM 0 HG22 VAL A 67 -14.977 13.752 -19.253 1.00 10.00 H new ATOM 0 HG23 VAL A 67 -15.200 13.368 -17.529 1.00 10.00 H new ATOM 1022 N PHE A 68 -10.438 12.585 -17.444 1.00 10.00 N ATOM 1023 CA PHE A 68 -9.005 12.329 -17.497 1.00 10.00 C ATOM 1024 C PHE A 68 -8.759 11.026 -18.289 1.00 10.00 C ATOM 1025 O PHE A 68 -7.760 10.878 -18.982 1.00 10.00 O ATOM 1026 CB PHE A 68 -8.491 12.250 -16.059 1.00 10.00 C ATOM 1027 CG PHE A 68 -8.582 13.502 -15.194 1.00 10.00 C ATOM 1028 CD1 PHE A 68 -8.817 14.784 -15.740 1.00 10.00 C ATOM 1029 CD2 PHE A 68 -8.475 13.361 -13.796 1.00 10.00 C ATOM 1030 CE1 PHE A 68 -8.967 15.897 -14.894 1.00 10.00 C ATOM 1031 CE2 PHE A 68 -8.619 14.478 -12.952 1.00 10.00 C ATOM 1032 CZ PHE A 68 -8.859 15.746 -13.502 1.00 10.00 C ATOM 0 H PHE A 68 -10.791 12.674 -16.491 1.00 10.00 H new ATOM 0 HA PHE A 68 -8.465 13.125 -18.010 1.00 10.00 H new ATOM 0 HB2 PHE A 68 -9.038 11.455 -15.553 1.00 10.00 H new ATOM 0 HB3 PHE A 68 -7.445 11.945 -16.095 1.00 10.00 H new ATOM 0 HD1 PHE A 68 -8.882 14.909 -16.811 1.00 10.00 H new ATOM 0 HD2 PHE A 68 -8.281 12.388 -13.369 1.00 10.00 H new ATOM 0 HE1 PHE A 68 -9.166 16.871 -15.316 1.00 10.00 H new ATOM 0 HE2 PHE A 68 -8.545 14.359 -11.881 1.00 10.00 H new ATOM 0 HZ PHE A 68 -8.961 16.605 -12.856 1.00 10.00 H new