USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 446 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 19 GLN : amide:sc= -0.0441 X(o=-0.3,f=0) USER MOD Set 1.2: A 20 ASN : amide:sc= -0.253 X(o=-0.3,f=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot -4:sc= -0.0211 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot -149:sc= 1.28 USER MOD Single : A 25 THR OG1 : rot -120:sc= -0.104 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -74:sc= 0.112 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.896 K(o=-0.9,f=0) USER MOD Single : A 59 ASN : amide:sc= -0.451 K(o=-0.45,f=-7.7!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 2.941 -7.097 -0.385 1.00 0.00 N ATOM 67 CA ASP A 8 4.254 -6.755 -0.919 1.00 0.00 C ATOM 68 C ASP A 8 4.848 -5.561 -0.179 1.00 0.00 C ATOM 69 O ASP A 8 4.124 -4.661 0.249 1.00 0.00 O ATOM 70 CB ASP A 8 4.157 -6.448 -2.414 1.00 0.00 C ATOM 71 CG ASP A 8 5.429 -6.799 -3.161 1.00 0.00 C ATOM 72 OD1 ASP A 8 6.107 -7.766 -2.756 1.00 0.00 O ATOM 73 OD2 ASP A 8 5.747 -6.105 -4.150 1.00 0.00 O ATOM 0 HA ASP A 8 4.911 -7.612 -0.775 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.323 -7.003 -2.843 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.939 -5.389 -2.551 1.00 0.00 H new ATOM 78 N TYR A 9 6.168 -5.559 -0.032 1.00 0.00 N ATOM 79 CA TYR A 9 6.858 -4.476 0.659 1.00 0.00 C ATOM 80 C TYR A 9 7.244 -3.367 -0.314 1.00 0.00 C ATOM 81 O TYR A 9 7.815 -3.626 -1.374 1.00 0.00 O ATOM 82 CB TYR A 9 8.107 -5.008 1.364 1.00 0.00 C ATOM 83 CG TYR A 9 7.856 -5.455 2.787 1.00 0.00 C ATOM 84 CD1 TYR A 9 6.712 -6.169 3.120 1.00 0.00 C ATOM 85 CD2 TYR A 9 8.763 -5.162 3.798 1.00 0.00 C ATOM 86 CE1 TYR A 9 6.478 -6.578 4.418 1.00 0.00 C ATOM 87 CE2 TYR A 9 8.538 -5.569 5.099 1.00 0.00 C ATOM 88 CZ TYR A 9 7.394 -6.276 5.404 1.00 0.00 C ATOM 89 OH TYR A 9 7.165 -6.683 6.699 1.00 0.00 O ATOM 0 H TYR A 9 6.782 -6.295 -0.382 1.00 0.00 H new ATOM 0 HA TYR A 9 6.177 -4.061 1.402 1.00 0.00 H new ATOM 0 HB2 TYR A 9 8.506 -5.847 0.794 1.00 0.00 H new ATOM 0 HB3 TYR A 9 8.872 -4.231 1.366 1.00 0.00 H new ATOM 0 HD1 TYR A 9 5.993 -6.408 2.350 1.00 0.00 H new ATOM 0 HD2 TYR A 9 9.659 -4.607 3.563 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.583 -7.131 4.660 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.254 -5.335 5.873 1.00 0.00 H new ATOM 0 HH TYR A 9 7.906 -6.391 7.270 1.00 0.00 H new ATOM 99 N CYS A 10 6.928 -2.130 0.054 1.00 0.00 N ATOM 100 CA CYS A 10 7.240 -0.979 -0.786 1.00 0.00 C ATOM 101 C CYS A 10 8.020 0.071 -0.001 1.00 0.00 C ATOM 102 O CYS A 10 7.592 0.508 1.068 1.00 0.00 O ATOM 103 CB CYS A 10 5.956 -0.366 -1.345 1.00 0.00 C ATOM 104 SG CYS A 10 4.889 -1.545 -2.206 1.00 0.00 S ATOM 0 H CYS A 10 6.456 -1.899 0.928 1.00 0.00 H new ATOM 0 HA CYS A 10 7.860 -1.322 -1.614 1.00 0.00 H new ATOM 0 HB2 CYS A 10 5.395 0.085 -0.526 1.00 0.00 H new ATOM 0 HB3 CYS A 10 6.219 0.438 -2.032 1.00 0.00 H new ATOM 0 HG CYS A 10 5.475 -2.704 -2.256 1.00 0.00 H new ATOM 110 N LYS A 11 9.168 0.472 -0.537 1.00 0.00 N ATOM 111 CA LYS A 11 10.009 1.470 0.112 1.00 0.00 C ATOM 112 C LYS A 11 9.544 2.881 -0.235 1.00 0.00 C ATOM 113 O LYS A 11 9.317 3.202 -1.402 1.00 0.00 O ATOM 114 CB LYS A 11 11.469 1.286 -0.306 1.00 0.00 C ATOM 115 CG LYS A 11 12.380 2.410 0.155 1.00 0.00 C ATOM 116 CD LYS A 11 13.818 1.940 0.297 1.00 0.00 C ATOM 117 CE LYS A 11 14.725 3.060 0.785 1.00 0.00 C ATOM 118 NZ LYS A 11 16.144 2.620 0.886 1.00 0.00 N ATOM 0 H LYS A 11 9.537 0.120 -1.420 1.00 0.00 H new ATOM 0 HA LYS A 11 9.926 1.333 1.190 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.837 0.343 0.097 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.520 1.210 -1.392 1.00 0.00 H new ATOM 0 HG2 LYS A 11 12.334 3.233 -0.559 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.027 2.797 1.111 1.00 0.00 H new ATOM 0 HD2 LYS A 11 13.862 1.105 0.996 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.178 1.571 -0.664 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.655 3.907 0.103 1.00 0.00 H new ATOM 0 HE3 LYS A 11 14.382 3.407 1.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 16.730 3.411 1.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 16.215 1.828 1.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 16.480 2.313 -0.049 1.00 0.00 H new ATOM 132 N VAL A 12 9.406 3.721 0.786 1.00 0.00 N ATOM 133 CA VAL A 12 8.972 5.099 0.589 1.00 0.00 C ATOM 134 C VAL A 12 10.162 6.023 0.358 1.00 0.00 C ATOM 135 O VAL A 12 11.015 6.184 1.231 1.00 0.00 O ATOM 136 CB VAL A 12 8.165 5.611 1.796 1.00 0.00 C ATOM 137 CG1 VAL A 12 7.710 7.044 1.566 1.00 0.00 C ATOM 138 CG2 VAL A 12 6.976 4.702 2.067 1.00 0.00 C ATOM 0 H VAL A 12 9.589 3.471 1.758 1.00 0.00 H new ATOM 0 HA VAL A 12 8.334 5.106 -0.295 1.00 0.00 H new ATOM 0 HB VAL A 12 8.811 5.597 2.674 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.141 7.388 2.430 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.581 7.684 1.426 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.081 7.088 0.677 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.417 5.079 2.923 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.327 4.681 1.191 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.330 3.694 2.281 1.00 0.00 H new ATOM 148 N ILE A 13 10.213 6.629 -0.824 1.00 0.00 N ATOM 149 CA ILE A 13 11.298 7.539 -1.169 1.00 0.00 C ATOM 150 C ILE A 13 10.851 8.993 -1.063 1.00 0.00 C ATOM 151 O ILE A 13 11.649 9.878 -0.753 1.00 0.00 O ATOM 152 CB ILE A 13 11.821 7.277 -2.594 1.00 0.00 C ATOM 153 CG1 ILE A 13 10.652 7.095 -3.564 1.00 0.00 C ATOM 154 CG2 ILE A 13 12.725 6.053 -2.610 1.00 0.00 C ATOM 155 CD1 ILE A 13 10.197 5.658 -3.700 1.00 0.00 C ATOM 0 H ILE A 13 9.516 6.506 -1.558 1.00 0.00 H new ATOM 0 HA ILE A 13 12.102 7.356 -0.456 1.00 0.00 H new ATOM 0 HB ILE A 13 12.405 8.140 -2.915 1.00 0.00 H new ATOM 0 HG12 ILE A 13 9.813 7.703 -3.227 1.00 0.00 H new ATOM 0 HG13 ILE A 13 10.943 7.470 -4.545 1.00 0.00 H new ATOM 0 HG21 ILE A 13 13.087 5.881 -3.624 1.00 0.00 H new ATOM 0 HG22 ILE A 13 13.573 6.218 -1.945 1.00 0.00 H new ATOM 0 HG23 ILE A 13 12.164 5.182 -2.272 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.366 5.605 -4.403 1.00 0.00 H new ATOM 0 HD12 ILE A 13 11.023 5.048 -4.067 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.875 5.285 -2.728 1.00 0.00 H new ATOM 167 N PHE A 14 9.570 9.232 -1.320 1.00 0.00 N ATOM 168 CA PHE A 14 9.016 10.580 -1.253 1.00 0.00 C ATOM 169 C PHE A 14 8.128 10.741 -0.023 1.00 0.00 C ATOM 170 O PHE A 14 7.183 9.982 0.196 1.00 0.00 O ATOM 171 CB PHE A 14 8.214 10.888 -2.519 1.00 0.00 C ATOM 172 CG PHE A 14 9.036 11.503 -3.615 1.00 0.00 C ATOM 173 CD1 PHE A 14 10.023 10.769 -4.253 1.00 0.00 C ATOM 174 CD2 PHE A 14 8.822 12.815 -4.007 1.00 0.00 C ATOM 175 CE1 PHE A 14 10.782 11.334 -5.261 1.00 0.00 C ATOM 176 CE2 PHE A 14 9.578 13.384 -5.015 1.00 0.00 C ATOM 177 CZ PHE A 14 10.559 12.642 -5.643 1.00 0.00 C ATOM 0 H PHE A 14 8.896 8.511 -1.576 1.00 0.00 H new ATOM 0 HA PHE A 14 9.845 11.284 -1.176 1.00 0.00 H new ATOM 0 HB2 PHE A 14 7.764 9.966 -2.887 1.00 0.00 H new ATOM 0 HB3 PHE A 14 7.397 11.563 -2.266 1.00 0.00 H new ATOM 0 HD1 PHE A 14 10.201 9.745 -3.960 1.00 0.00 H new ATOM 0 HD2 PHE A 14 8.056 13.400 -3.519 1.00 0.00 H new ATOM 0 HE1 PHE A 14 11.549 10.752 -5.750 1.00 0.00 H new ATOM 0 HE2 PHE A 14 9.402 14.408 -5.311 1.00 0.00 H new ATOM 0 HZ PHE A 14 11.150 13.084 -6.431 1.00 0.00 H new ATOM 187 N PRO A 15 8.437 11.754 0.800 1.00 0.00 N ATOM 188 CA PRO A 15 7.679 12.040 2.022 1.00 0.00 C ATOM 189 C PRO A 15 6.283 12.577 1.727 1.00 0.00 C ATOM 190 O PRO A 15 6.111 13.454 0.880 1.00 0.00 O ATOM 191 CB PRO A 15 8.525 13.107 2.722 1.00 0.00 C ATOM 192 CG PRO A 15 9.285 13.768 1.625 1.00 0.00 C ATOM 193 CD PRO A 15 9.549 12.699 0.601 1.00 0.00 C ATOM 0 HA PRO A 15 7.517 11.143 2.620 1.00 0.00 H new ATOM 0 HB2 PRO A 15 7.898 13.822 3.256 1.00 0.00 H new ATOM 0 HB3 PRO A 15 9.196 12.661 3.456 1.00 0.00 H new ATOM 0 HG2 PRO A 15 8.712 14.589 1.193 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.218 14.191 1.997 1.00 0.00 H new ATOM 0 HD2 PRO A 15 9.556 13.105 -0.411 1.00 0.00 H new ATOM 0 HD3 PRO A 15 10.516 12.221 0.759 1.00 0.00 H new ATOM 201 N TYR A 16 5.289 12.046 2.430 1.00 0.00 N ATOM 202 CA TYR A 16 3.907 12.471 2.242 1.00 0.00 C ATOM 203 C TYR A 16 3.155 12.483 3.569 1.00 0.00 C ATOM 204 O TYR A 16 3.307 11.577 4.388 1.00 0.00 O ATOM 205 CB TYR A 16 3.199 11.548 1.249 1.00 0.00 C ATOM 206 CG TYR A 16 1.775 11.958 0.950 1.00 0.00 C ATOM 207 CD1 TYR A 16 1.502 13.099 0.205 1.00 0.00 C ATOM 208 CD2 TYR A 16 0.702 11.207 1.414 1.00 0.00 C ATOM 209 CE1 TYR A 16 0.202 13.479 -0.070 1.00 0.00 C ATOM 210 CE2 TYR A 16 -0.601 11.578 1.142 1.00 0.00 C ATOM 211 CZ TYR A 16 -0.845 12.715 0.400 1.00 0.00 C ATOM 212 OH TYR A 16 -2.142 13.089 0.129 1.00 0.00 O ATOM 0 H TYR A 16 5.415 11.320 3.136 1.00 0.00 H new ATOM 0 HA TYR A 16 3.916 13.485 1.842 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.765 11.527 0.318 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.200 10.533 1.645 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.320 13.699 -0.165 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.890 10.318 1.997 1.00 0.00 H new ATOM 0 HE1 TYR A 16 0.007 14.369 -0.650 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.423 10.981 1.508 1.00 0.00 H new ATOM 0 HH TYR A 16 -2.724 12.807 0.865 1.00 0.00 H new ATOM 222 N GLU A 17 2.343 13.515 3.772 1.00 0.00 N ATOM 223 CA GLU A 17 1.566 13.645 4.999 1.00 0.00 C ATOM 224 C GLU A 17 0.079 13.437 4.727 1.00 0.00 C ATOM 225 O GLU A 17 -0.513 14.126 3.898 1.00 0.00 O ATOM 226 CB GLU A 17 1.793 15.021 5.629 1.00 0.00 C ATOM 227 CG GLU A 17 0.977 15.256 6.889 1.00 0.00 C ATOM 228 CD GLU A 17 1.606 14.629 8.117 1.00 0.00 C ATOM 229 OE1 GLU A 17 2.509 15.258 8.707 1.00 0.00 O ATOM 230 OE2 GLU A 17 1.196 13.509 8.488 1.00 0.00 O ATOM 0 H GLU A 17 2.206 14.273 3.103 1.00 0.00 H new ATOM 0 HA GLU A 17 1.901 12.875 5.694 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.851 15.133 5.866 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.547 15.791 4.898 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.865 16.328 7.050 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.024 14.848 6.750 1.00 0.00 H new ATOM 237 N ALA A 18 -0.517 12.481 5.432 1.00 0.00 N ATOM 238 CA ALA A 18 -1.934 12.182 5.269 1.00 0.00 C ATOM 239 C ALA A 18 -2.799 13.346 5.741 1.00 0.00 C ATOM 240 O ALA A 18 -2.670 13.805 6.876 1.00 0.00 O ATOM 241 CB ALA A 18 -2.296 10.912 6.024 1.00 0.00 C ATOM 0 H ALA A 18 -0.040 11.900 6.122 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.127 12.028 4.207 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.357 10.701 5.893 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.710 10.079 5.636 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.080 11.045 7.084 1.00 0.00 H new ATOM 247 N GLN A 19 -3.679 13.818 4.864 1.00 0.00 N ATOM 248 CA GLN A 19 -4.563 14.930 5.193 1.00 0.00 C ATOM 249 C GLN A 19 -5.769 14.448 5.993 1.00 0.00 C ATOM 250 O GLN A 19 -6.217 15.118 6.922 1.00 0.00 O ATOM 251 CB GLN A 19 -5.030 15.632 3.917 1.00 0.00 C ATOM 252 CG GLN A 19 -5.855 14.743 3.000 1.00 0.00 C ATOM 253 CD GLN A 19 -6.571 15.525 1.917 1.00 0.00 C ATOM 254 OE1 GLN A 19 -6.337 15.315 0.726 1.00 0.00 O ATOM 255 NE2 GLN A 19 -7.449 16.434 2.324 1.00 0.00 N ATOM 0 H GLN A 19 -3.799 13.448 3.921 1.00 0.00 H new ATOM 0 HA GLN A 19 -4.004 15.638 5.805 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -5.621 16.507 4.189 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.158 15.993 3.371 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -5.204 14.002 2.537 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.588 14.197 3.593 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.612 16.575 3.321 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -7.961 16.991 1.640 1.00 0.00 H new ATOM 264 N ASN A 20 -6.289 13.281 5.625 1.00 0.00 N ATOM 265 CA ASN A 20 -7.444 12.710 6.309 1.00 0.00 C ATOM 266 C ASN A 20 -7.107 11.342 6.895 1.00 0.00 C ATOM 267 O ASN A 20 -6.073 10.756 6.575 1.00 0.00 O ATOM 268 CB ASN A 20 -8.624 12.587 5.343 1.00 0.00 C ATOM 269 CG ASN A 20 -9.375 13.894 5.179 1.00 0.00 C ATOM 270 OD1 ASN A 20 -10.113 14.315 6.070 1.00 0.00 O ATOM 271 ND2 ASN A 20 -9.190 14.543 4.035 1.00 0.00 N ATOM 0 H ASN A 20 -5.929 12.713 4.858 1.00 0.00 H new ATOM 0 HA ASN A 20 -7.719 13.377 7.126 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -8.261 12.255 4.370 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -9.309 11.821 5.706 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -9.669 15.428 3.867 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -8.569 14.157 3.324 1.00 0.00 H new ATOM 278 N ASP A 21 -7.987 10.840 7.754 1.00 0.00 N ATOM 279 CA ASP A 21 -7.785 9.541 8.384 1.00 0.00 C ATOM 280 C ASP A 21 -7.559 8.457 7.334 1.00 0.00 C ATOM 281 O ASP A 21 -6.662 7.625 7.471 1.00 0.00 O ATOM 282 CB ASP A 21 -8.989 9.180 9.256 1.00 0.00 C ATOM 283 CG ASP A 21 -10.309 9.490 8.578 1.00 0.00 C ATOM 284 OD1 ASP A 21 -10.547 10.672 8.256 1.00 0.00 O ATOM 285 OD2 ASP A 21 -11.104 8.549 8.369 1.00 0.00 O ATOM 0 H ASP A 21 -8.847 11.313 8.030 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.897 9.604 9.013 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.951 8.119 9.502 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.930 9.727 10.197 1.00 0.00 H new ATOM 290 N ASP A 22 -8.378 8.474 6.289 1.00 0.00 N ATOM 291 CA ASP A 22 -8.268 7.493 5.216 1.00 0.00 C ATOM 292 C ASP A 22 -6.841 7.433 4.678 1.00 0.00 C ATOM 293 O ASP A 22 -6.274 6.354 4.518 1.00 0.00 O ATOM 294 CB ASP A 22 -9.239 7.832 4.084 1.00 0.00 C ATOM 295 CG ASP A 22 -9.399 6.692 3.097 1.00 0.00 C ATOM 296 OD1 ASP A 22 -8.377 6.073 2.735 1.00 0.00 O ATOM 297 OD2 ASP A 22 -10.547 6.419 2.686 1.00 0.00 O ATOM 0 H ASP A 22 -9.126 9.156 6.162 1.00 0.00 H new ATOM 0 HA ASP A 22 -8.525 6.515 5.624 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -10.212 8.082 4.507 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.883 8.718 3.557 1.00 0.00 H new ATOM 302 N GLU A 23 -6.270 8.601 4.401 1.00 0.00 N ATOM 303 CA GLU A 23 -4.910 8.680 3.879 1.00 0.00 C ATOM 304 C GLU A 23 -3.898 8.230 4.929 1.00 0.00 C ATOM 305 O GLU A 23 -4.082 8.461 6.124 1.00 0.00 O ATOM 306 CB GLU A 23 -4.595 10.109 3.431 1.00 0.00 C ATOM 307 CG GLU A 23 -5.509 10.616 2.328 1.00 0.00 C ATOM 308 CD GLU A 23 -4.831 11.632 1.429 1.00 0.00 C ATOM 309 OE1 GLU A 23 -3.921 12.337 1.911 1.00 0.00 O ATOM 310 OE2 GLU A 23 -5.211 11.720 0.242 1.00 0.00 O ATOM 0 H GLU A 23 -6.727 9.504 4.529 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.838 8.013 3.020 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.672 10.775 4.290 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.562 10.153 3.085 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.848 9.773 1.726 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.396 11.066 2.774 1.00 0.00 H new ATOM 317 N LEU A 24 -2.830 7.585 4.473 1.00 0.00 N ATOM 318 CA LEU A 24 -1.787 7.101 5.371 1.00 0.00 C ATOM 319 C LEU A 24 -0.570 8.021 5.339 1.00 0.00 C ATOM 320 O LEU A 24 -0.173 8.507 4.279 1.00 0.00 O ATOM 321 CB LEU A 24 -1.376 5.679 4.988 1.00 0.00 C ATOM 322 CG LEU A 24 -0.148 5.119 5.705 1.00 0.00 C ATOM 323 CD1 LEU A 24 -0.550 4.449 7.010 1.00 0.00 C ATOM 324 CD2 LEU A 24 0.594 4.138 4.807 1.00 0.00 C ATOM 0 H LEU A 24 -2.663 7.385 3.487 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.189 7.096 6.384 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.218 5.015 5.180 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.188 5.653 3.915 1.00 0.00 H new ATOM 0 HG LEU A 24 0.522 5.947 5.937 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.338 4.057 7.506 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.036 5.178 7.659 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.240 3.632 6.802 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.465 3.750 5.334 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.068 3.313 4.544 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.917 4.648 3.899 1.00 0.00 H new ATOM 336 N THR A 25 0.020 8.254 6.507 1.00 0.00 N ATOM 337 CA THR A 25 1.192 9.114 6.612 1.00 0.00 C ATOM 338 C THR A 25 2.477 8.318 6.413 1.00 0.00 C ATOM 339 O THR A 25 2.779 7.406 7.182 1.00 0.00 O ATOM 340 CB THR A 25 1.248 9.822 7.979 1.00 0.00 C ATOM 341 OG1 THR A 25 0.011 10.498 8.231 1.00 0.00 O ATOM 342 CG2 THR A 25 2.395 10.820 8.024 1.00 0.00 C ATOM 0 H THR A 25 -0.295 7.859 7.393 1.00 0.00 H new ATOM 0 HA THR A 25 1.106 9.864 5.825 1.00 0.00 H new ATOM 0 HB THR A 25 1.413 9.068 8.748 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.179 11.457 8.341 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.415 11.308 8.999 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.338 10.298 7.860 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.255 11.570 7.246 1.00 0.00 H new ATOM 350 N ILE A 26 3.231 8.670 5.376 1.00 0.00 N ATOM 351 CA ILE A 26 4.484 7.989 5.077 1.00 0.00 C ATOM 352 C ILE A 26 5.652 8.970 5.060 1.00 0.00 C ATOM 353 O ILE A 26 5.550 10.063 4.503 1.00 0.00 O ATOM 354 CB ILE A 26 4.420 7.260 3.722 1.00 0.00 C ATOM 355 CG1 ILE A 26 4.246 8.268 2.584 1.00 0.00 C ATOM 356 CG2 ILE A 26 3.285 6.248 3.718 1.00 0.00 C ATOM 357 CD1 ILE A 26 4.271 7.638 1.209 1.00 0.00 C ATOM 0 H ILE A 26 2.995 9.423 4.729 1.00 0.00 H new ATOM 0 HA ILE A 26 4.640 7.255 5.867 1.00 0.00 H new ATOM 0 HB ILE A 26 5.358 6.726 3.569 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.300 8.794 2.717 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.037 9.015 2.647 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.253 5.741 2.754 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.448 5.515 4.508 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.339 6.762 3.890 1.00 0.00 H new ATOM 0 HD11 ILE A 26 4.142 8.412 0.452 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.226 7.136 1.056 1.00 0.00 H new ATOM 0 HD13 ILE A 26 3.462 6.912 1.127 1.00 0.00 H new ATOM 369 N LYS A 27 6.762 8.571 5.671 1.00 0.00 N ATOM 370 CA LYS A 27 7.951 9.412 5.724 1.00 0.00 C ATOM 371 C LYS A 27 9.106 8.771 4.961 1.00 0.00 C ATOM 372 O LYS A 27 9.041 7.599 4.590 1.00 0.00 O ATOM 373 CB LYS A 27 8.362 9.659 7.177 1.00 0.00 C ATOM 374 CG LYS A 27 7.256 10.258 8.029 1.00 0.00 C ATOM 375 CD LYS A 27 7.243 11.774 7.942 1.00 0.00 C ATOM 376 CE LYS A 27 6.412 12.390 9.057 1.00 0.00 C ATOM 377 NZ LYS A 27 6.530 13.874 9.082 1.00 0.00 N ATOM 0 H LYS A 27 6.863 7.669 6.137 1.00 0.00 H new ATOM 0 HA LYS A 27 7.712 10.365 5.253 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.681 8.716 7.621 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.224 10.326 7.194 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.292 9.866 7.704 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.390 9.954 9.067 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.264 12.151 7.997 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.842 12.080 6.976 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.366 12.111 8.927 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.733 11.984 10.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.949 14.255 9.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.524 14.141 9.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.199 14.264 8.176 1.00 0.00 H new ATOM 391 N GLU A 28 10.161 9.546 4.730 1.00 0.00 N ATOM 392 CA GLU A 28 11.329 9.052 4.012 1.00 0.00 C ATOM 393 C GLU A 28 12.131 8.084 4.877 1.00 0.00 C ATOM 394 O GLU A 28 12.801 8.492 5.825 1.00 0.00 O ATOM 395 CB GLU A 28 12.217 10.218 3.574 1.00 0.00 C ATOM 396 CG GLU A 28 13.301 9.821 2.585 1.00 0.00 C ATOM 397 CD GLU A 28 14.073 11.013 2.056 1.00 0.00 C ATOM 398 OE1 GLU A 28 14.468 11.874 2.870 1.00 0.00 O ATOM 399 OE2 GLU A 28 14.283 11.085 0.827 1.00 0.00 O ATOM 0 H GLU A 28 10.230 10.518 5.030 1.00 0.00 H new ATOM 0 HA GLU A 28 10.981 8.518 3.128 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.593 10.990 3.125 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.684 10.658 4.455 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.992 9.130 3.068 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.848 9.287 1.750 1.00 0.00 H new ATOM 406 N GLY A 29 12.057 6.800 4.543 1.00 0.00 N ATOM 407 CA GLY A 29 12.780 5.794 5.299 1.00 0.00 C ATOM 408 C GLY A 29 11.854 4.809 5.986 1.00 0.00 C ATOM 409 O GLY A 29 12.131 4.359 7.099 1.00 0.00 O ATOM 0 H GLY A 29 11.509 6.438 3.762 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.450 5.253 4.630 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.404 6.284 6.047 1.00 0.00 H new ATOM 413 N ASP A 30 10.752 4.475 5.325 1.00 0.00 N ATOM 414 CA ASP A 30 9.781 3.538 5.880 1.00 0.00 C ATOM 415 C ASP A 30 9.199 2.648 4.786 1.00 0.00 C ATOM 416 O ASP A 30 8.906 3.113 3.684 1.00 0.00 O ATOM 417 CB ASP A 30 8.658 4.295 6.590 1.00 0.00 C ATOM 418 CG ASP A 30 9.159 5.094 7.778 1.00 0.00 C ATOM 419 OD1 ASP A 30 10.035 4.585 8.508 1.00 0.00 O ATOM 420 OD2 ASP A 30 8.676 6.228 7.976 1.00 0.00 O ATOM 0 H ASP A 30 10.508 4.839 4.404 1.00 0.00 H new ATOM 0 HA ASP A 30 10.295 2.905 6.603 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.173 4.967 5.882 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.901 3.586 6.926 1.00 0.00 H new ATOM 425 N ILE A 31 9.036 1.367 5.098 1.00 0.00 N ATOM 426 CA ILE A 31 8.489 0.412 4.142 1.00 0.00 C ATOM 427 C ILE A 31 7.030 0.096 4.454 1.00 0.00 C ATOM 428 O ILE A 31 6.694 -0.298 5.571 1.00 0.00 O ATOM 429 CB ILE A 31 9.296 -0.899 4.132 1.00 0.00 C ATOM 430 CG1 ILE A 31 10.698 -0.657 3.568 1.00 0.00 C ATOM 431 CG2 ILE A 31 8.570 -1.962 3.321 1.00 0.00 C ATOM 432 CD1 ILE A 31 11.636 0.012 4.549 1.00 0.00 C ATOM 0 H ILE A 31 9.275 0.966 6.005 1.00 0.00 H new ATOM 0 HA ILE A 31 8.555 0.877 3.158 1.00 0.00 H new ATOM 0 HB ILE A 31 9.394 -1.255 5.157 1.00 0.00 H new ATOM 0 HG12 ILE A 31 11.127 -1.611 3.260 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.620 -0.039 2.673 1.00 0.00 H new ATOM 0 HG21 ILE A 31 9.153 -2.883 3.323 1.00 0.00 H new ATOM 0 HG22 ILE A 31 7.591 -2.151 3.762 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.445 -1.615 2.295 1.00 0.00 H new ATOM 0 HD11 ILE A 31 12.611 0.152 4.082 1.00 0.00 H new ATOM 0 HD12 ILE A 31 11.229 0.981 4.838 1.00 0.00 H new ATOM 0 HD13 ILE A 31 11.744 -0.615 5.434 1.00 0.00 H new ATOM 444 N VAL A 32 6.167 0.270 3.458 1.00 0.00 N ATOM 445 CA VAL A 32 4.744 0.000 3.625 1.00 0.00 C ATOM 446 C VAL A 32 4.377 -1.375 3.079 1.00 0.00 C ATOM 447 O VAL A 32 5.015 -1.879 2.154 1.00 0.00 O ATOM 448 CB VAL A 32 3.884 1.067 2.920 1.00 0.00 C ATOM 449 CG1 VAL A 32 2.407 0.722 3.033 1.00 0.00 C ATOM 450 CG2 VAL A 32 4.165 2.445 3.499 1.00 0.00 C ATOM 0 H VAL A 32 6.428 0.597 2.528 1.00 0.00 H new ATOM 0 HA VAL A 32 4.540 0.028 4.695 1.00 0.00 H new ATOM 0 HB VAL A 32 4.149 1.082 1.863 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.815 1.486 2.530 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.223 -0.246 2.566 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.123 0.678 4.084 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.549 3.186 2.990 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.930 2.447 4.563 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.218 2.690 3.360 1.00 0.00 H new ATOM 460 N THR A 33 3.343 -1.979 3.656 1.00 0.00 N ATOM 461 CA THR A 33 2.891 -3.297 3.228 1.00 0.00 C ATOM 462 C THR A 33 1.640 -3.195 2.363 1.00 0.00 C ATOM 463 O THR A 33 0.555 -2.885 2.857 1.00 0.00 O ATOM 464 CB THR A 33 2.594 -4.208 4.434 1.00 0.00 C ATOM 465 OG1 THR A 33 3.810 -4.522 5.122 1.00 0.00 O ATOM 466 CG2 THR A 33 1.913 -5.492 3.987 1.00 0.00 C ATOM 0 H THR A 33 2.803 -1.576 4.421 1.00 0.00 H new ATOM 0 HA THR A 33 3.700 -3.734 2.642 1.00 0.00 H new ATOM 0 HB THR A 33 1.923 -3.675 5.108 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.328 -5.165 4.594 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.713 -6.119 4.856 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.974 -5.251 3.489 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.563 -6.027 3.295 1.00 0.00 H new ATOM 474 N LEU A 34 1.798 -3.457 1.070 1.00 0.00 N ATOM 475 CA LEU A 34 0.680 -3.395 0.135 1.00 0.00 C ATOM 476 C LEU A 34 -0.441 -4.337 0.564 1.00 0.00 C ATOM 477 O LEU A 34 -0.342 -5.553 0.393 1.00 0.00 O ATOM 478 CB LEU A 34 1.150 -3.752 -1.276 1.00 0.00 C ATOM 479 CG LEU A 34 0.420 -3.051 -2.423 1.00 0.00 C ATOM 480 CD1 LEU A 34 0.690 -1.555 -2.392 1.00 0.00 C ATOM 481 CD2 LEU A 34 0.839 -3.643 -3.761 1.00 0.00 C ATOM 0 H LEU A 34 2.689 -3.714 0.645 1.00 0.00 H new ATOM 0 HA LEU A 34 0.293 -2.376 0.135 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.213 -3.521 -1.353 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.047 -4.829 -1.410 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.651 -3.208 -2.298 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.163 -1.073 -3.215 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.341 -1.142 -1.446 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.761 -1.376 -2.493 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.310 -3.133 -4.566 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.913 -3.516 -3.895 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.594 -4.705 -3.782 1.00 0.00 H new ATOM 493 N ILE A 35 -1.506 -3.768 1.118 1.00 0.00 N ATOM 494 CA ILE A 35 -2.646 -4.557 1.568 1.00 0.00 C ATOM 495 C ILE A 35 -3.597 -4.856 0.414 1.00 0.00 C ATOM 496 O ILE A 35 -3.904 -6.013 0.133 1.00 0.00 O ATOM 497 CB ILE A 35 -3.423 -3.837 2.685 1.00 0.00 C ATOM 498 CG1 ILE A 35 -2.515 -3.591 3.891 1.00 0.00 C ATOM 499 CG2 ILE A 35 -4.643 -4.651 3.091 1.00 0.00 C ATOM 500 CD1 ILE A 35 -3.257 -3.550 5.209 1.00 0.00 C ATOM 0 H ILE A 35 -1.603 -2.764 1.266 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.247 -5.493 1.959 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.763 -2.873 2.307 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.760 -4.376 3.933 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.987 -2.648 3.751 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.182 -4.129 3.882 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.298 -4.780 2.229 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.324 -5.628 3.453 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.550 -3.372 6.019 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.993 -2.747 5.187 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.763 -4.502 5.371 1.00 0.00 H new ATOM 512 N ASN A 36 -4.058 -3.803 -0.253 1.00 0.00 N ATOM 513 CA ASN A 36 -4.973 -3.952 -1.379 1.00 0.00 C ATOM 514 C ASN A 36 -4.546 -3.069 -2.548 1.00 0.00 C ATOM 515 O ASN A 36 -4.145 -1.921 -2.360 1.00 0.00 O ATOM 516 CB ASN A 36 -6.400 -3.598 -0.953 1.00 0.00 C ATOM 517 CG ASN A 36 -7.436 -4.069 -1.957 1.00 0.00 C ATOM 518 OD1 ASN A 36 -7.876 -3.304 -2.816 1.00 0.00 O ATOM 519 ND2 ASN A 36 -7.830 -5.332 -1.851 1.00 0.00 N ATOM 0 H ASN A 36 -3.813 -2.837 -0.033 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.944 -4.992 -1.703 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.608 -4.047 0.018 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.482 -2.518 -0.829 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.525 -5.705 -2.497 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -7.438 -5.929 -1.123 1.00 0.00 H new ATOM 526 N LYS A 37 -4.636 -3.614 -3.757 1.00 0.00 N ATOM 527 CA LYS A 37 -4.261 -2.878 -4.958 1.00 0.00 C ATOM 528 C LYS A 37 -5.310 -1.825 -5.300 1.00 0.00 C ATOM 529 O LYS A 37 -6.425 -1.853 -4.778 1.00 0.00 O ATOM 530 CB LYS A 37 -4.084 -3.839 -6.136 1.00 0.00 C ATOM 531 CG LYS A 37 -2.873 -4.745 -6.005 1.00 0.00 C ATOM 532 CD LYS A 37 -2.350 -5.176 -7.365 1.00 0.00 C ATOM 533 CE LYS A 37 -0.935 -5.727 -7.269 1.00 0.00 C ATOM 534 NZ LYS A 37 -0.295 -5.848 -8.608 1.00 0.00 N ATOM 0 H LYS A 37 -4.966 -4.564 -3.930 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.315 -2.373 -4.764 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.979 -4.454 -6.230 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.997 -3.261 -7.056 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.086 -4.225 -5.459 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.138 -5.626 -5.420 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.009 -5.935 -7.786 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.365 -4.327 -8.048 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.333 -5.074 -6.637 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.958 -6.705 -6.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.668 -6.227 -8.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.855 -6.491 -9.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.250 -4.911 -9.057 1.00 0.00 H new ATOM 548 N ASP A 38 -4.946 -0.898 -6.180 1.00 0.00 N ATOM 549 CA ASP A 38 -5.857 0.163 -6.593 1.00 0.00 C ATOM 550 C ASP A 38 -6.450 -0.135 -7.967 1.00 0.00 C ATOM 551 O ASP A 38 -5.918 -0.951 -8.720 1.00 0.00 O ATOM 552 CB ASP A 38 -5.130 1.508 -6.618 1.00 0.00 C ATOM 553 CG ASP A 38 -6.086 2.682 -6.690 1.00 0.00 C ATOM 554 OD1 ASP A 38 -6.629 3.071 -5.634 1.00 0.00 O ATOM 555 OD2 ASP A 38 -6.291 3.213 -7.801 1.00 0.00 O ATOM 0 H ASP A 38 -4.027 -0.860 -6.621 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.670 0.213 -5.869 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.512 1.600 -5.725 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.457 1.538 -7.475 1.00 0.00 H new ATOM 560 N CYS A 39 -7.554 0.532 -8.286 1.00 0.00 N ATOM 561 CA CYS A 39 -8.221 0.337 -9.569 1.00 0.00 C ATOM 562 C CYS A 39 -7.236 0.495 -10.723 1.00 0.00 C ATOM 563 O CYS A 39 -6.147 1.044 -10.552 1.00 0.00 O ATOM 564 CB CYS A 39 -9.372 1.332 -9.725 1.00 0.00 C ATOM 565 SG CYS A 39 -10.946 0.751 -9.053 1.00 0.00 S ATOM 0 H CYS A 39 -8.006 1.212 -7.675 1.00 0.00 H new ATOM 0 HA CYS A 39 -8.621 -0.677 -9.593 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -9.101 2.265 -9.231 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -9.502 1.557 -10.783 1.00 0.00 H new ATOM 0 HG CYS A 39 -11.856 1.662 -9.230 1.00 0.00 H new ATOM 571 N ILE A 40 -7.625 0.009 -11.897 1.00 0.00 N ATOM 572 CA ILE A 40 -6.776 0.096 -13.078 1.00 0.00 C ATOM 573 C ILE A 40 -5.941 1.371 -13.063 1.00 0.00 C ATOM 574 O ILE A 40 -4.834 1.408 -13.600 1.00 0.00 O ATOM 575 CB ILE A 40 -7.608 0.056 -14.373 1.00 0.00 C ATOM 576 CG1 ILE A 40 -8.391 -1.256 -14.462 1.00 0.00 C ATOM 577 CG2 ILE A 40 -6.707 0.224 -15.587 1.00 0.00 C ATOM 578 CD1 ILE A 40 -9.670 -1.143 -15.262 1.00 0.00 C ATOM 0 H ILE A 40 -8.523 -0.449 -12.055 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.113 -0.769 -13.054 1.00 0.00 H new ATOM 0 HB ILE A 40 -8.319 0.882 -14.356 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.756 -2.019 -14.913 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -8.631 -1.596 -13.454 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.310 0.194 -16.495 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.190 1.182 -15.527 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.974 -0.583 -15.611 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -10.173 -2.110 -15.283 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -10.324 -0.404 -14.800 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -9.436 -0.834 -16.281 1.00 0.00 H new ATOM 590 N ASP A 41 -6.478 2.416 -12.442 1.00 0.00 N ATOM 591 CA ASP A 41 -5.782 3.694 -12.353 1.00 0.00 C ATOM 592 C ASP A 41 -4.567 3.588 -11.437 1.00 0.00 C ATOM 593 O ASP A 41 -4.683 3.188 -10.279 1.00 0.00 O ATOM 594 CB ASP A 41 -6.729 4.781 -11.842 1.00 0.00 C ATOM 595 CG ASP A 41 -7.939 4.963 -12.737 1.00 0.00 C ATOM 596 OD1 ASP A 41 -7.819 5.670 -13.759 1.00 0.00 O ATOM 597 OD2 ASP A 41 -9.005 4.398 -12.415 1.00 0.00 O ATOM 0 H ASP A 41 -7.394 2.403 -11.993 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.439 3.963 -13.352 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -7.060 4.526 -10.835 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.189 5.725 -11.770 1.00 0.00 H new ATOM 602 N VAL A 42 -3.401 3.949 -11.964 1.00 0.00 N ATOM 603 CA VAL A 42 -2.164 3.894 -11.194 1.00 0.00 C ATOM 604 C VAL A 42 -1.922 5.203 -10.451 1.00 0.00 C ATOM 605 O VAL A 42 -2.386 6.262 -10.870 1.00 0.00 O ATOM 606 CB VAL A 42 -0.953 3.598 -12.098 1.00 0.00 C ATOM 607 CG1 VAL A 42 0.330 3.568 -11.280 1.00 0.00 C ATOM 608 CG2 VAL A 42 -1.151 2.286 -12.842 1.00 0.00 C ATOM 0 H VAL A 42 -3.287 4.283 -12.921 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.275 3.085 -10.472 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.868 4.397 -12.834 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.175 3.357 -11.936 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.477 4.535 -10.798 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.259 2.790 -10.519 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.286 2.093 -13.476 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.263 1.474 -12.124 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.046 2.350 -13.460 1.00 0.00 H new ATOM 618 N GLY A 43 -1.189 5.122 -9.344 1.00 0.00 N ATOM 619 CA GLY A 43 -0.897 6.307 -8.559 1.00 0.00 C ATOM 620 C GLY A 43 -1.454 6.223 -7.152 1.00 0.00 C ATOM 621 O GLY A 43 -1.095 7.022 -6.287 1.00 0.00 O ATOM 0 H GLY A 43 -0.792 4.257 -8.977 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.182 6.450 -8.511 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.313 7.182 -9.059 1.00 0.00 H new ATOM 625 N TRP A 44 -2.333 5.254 -6.923 1.00 0.00 N ATOM 626 CA TRP A 44 -2.942 5.070 -5.610 1.00 0.00 C ATOM 627 C TRP A 44 -2.749 3.641 -5.116 1.00 0.00 C ATOM 628 O TRP A 44 -2.673 2.705 -5.912 1.00 0.00 O ATOM 629 CB TRP A 44 -4.433 5.406 -5.665 1.00 0.00 C ATOM 630 CG TRP A 44 -4.713 6.784 -6.185 1.00 0.00 C ATOM 631 CD1 TRP A 44 -5.103 7.119 -7.450 1.00 0.00 C ATOM 632 CD2 TRP A 44 -4.622 8.011 -5.453 1.00 0.00 C ATOM 633 NE1 TRP A 44 -5.259 8.481 -7.548 1.00 0.00 N ATOM 634 CE2 TRP A 44 -4.972 9.051 -6.336 1.00 0.00 C ATOM 635 CE3 TRP A 44 -4.282 8.332 -4.136 1.00 0.00 C ATOM 636 CZ2 TRP A 44 -4.988 10.386 -5.944 1.00 0.00 C ATOM 637 CZ3 TRP A 44 -4.299 9.659 -3.748 1.00 0.00 C ATOM 638 CH2 TRP A 44 -4.651 10.672 -4.649 1.00 0.00 C ATOM 0 H TRP A 44 -2.640 4.584 -7.628 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.450 5.746 -4.911 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -4.939 4.677 -6.298 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -4.857 5.310 -4.665 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -5.265 6.417 -8.255 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -5.543 8.986 -8.388 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -4.011 7.557 -3.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -5.257 11.169 -6.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.036 9.919 -2.733 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -4.657 11.699 -4.315 1.00 0.00 H new ATOM 649 N TRP A 45 -2.669 3.480 -3.801 1.00 0.00 N ATOM 650 CA TRP A 45 -2.484 2.163 -3.201 1.00 0.00 C ATOM 651 C TRP A 45 -2.757 2.204 -1.702 1.00 0.00 C ATOM 652 O TRP A 45 -2.715 3.268 -1.084 1.00 0.00 O ATOM 653 CB TRP A 45 -1.065 1.657 -3.461 1.00 0.00 C ATOM 654 CG TRP A 45 -0.912 0.966 -4.782 1.00 0.00 C ATOM 655 CD1 TRP A 45 -1.903 0.386 -5.523 1.00 0.00 C ATOM 656 CD2 TRP A 45 0.302 0.783 -5.519 1.00 0.00 C ATOM 657 NE1 TRP A 45 -1.377 -0.147 -6.675 1.00 0.00 N ATOM 658 CE2 TRP A 45 -0.027 0.084 -6.697 1.00 0.00 C ATOM 659 CE3 TRP A 45 1.634 1.143 -5.299 1.00 0.00 C ATOM 660 CZ2 TRP A 45 0.929 -0.262 -7.648 1.00 0.00 C ATOM 661 CZ3 TRP A 45 2.582 0.799 -6.244 1.00 0.00 C ATOM 662 CH2 TRP A 45 2.226 0.103 -7.407 1.00 0.00 C ATOM 0 H TRP A 45 -2.729 4.245 -3.129 1.00 0.00 H new ATOM 0 HA TRP A 45 -3.196 1.478 -3.661 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -0.374 2.498 -3.417 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -0.781 0.969 -2.665 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -2.946 0.352 -5.244 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -1.906 -0.636 -7.397 1.00 0.00 H new ATOM 0 HE3 TRP A 45 1.918 1.681 -4.406 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 0.657 -0.799 -8.544 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 3.615 1.071 -6.083 1.00 0.00 H new ATOM 0 HH2 TRP A 45 2.990 -0.150 -8.127 1.00 0.00 H new ATOM 673 N GLU A 46 -3.034 1.040 -1.123 1.00 0.00 N ATOM 674 CA GLU A 46 -3.313 0.946 0.305 1.00 0.00 C ATOM 675 C GLU A 46 -2.274 0.076 1.007 1.00 0.00 C ATOM 676 O GLU A 46 -1.893 -0.981 0.505 1.00 0.00 O ATOM 677 CB GLU A 46 -4.714 0.374 0.537 1.00 0.00 C ATOM 678 CG GLU A 46 -5.374 0.877 1.810 1.00 0.00 C ATOM 679 CD GLU A 46 -6.832 0.473 1.910 1.00 0.00 C ATOM 680 OE1 GLU A 46 -7.104 -0.740 2.025 1.00 0.00 O ATOM 681 OE2 GLU A 46 -7.700 1.370 1.872 1.00 0.00 O ATOM 0 H GLU A 46 -3.071 0.150 -1.620 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.264 1.951 0.725 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.346 0.627 -0.314 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.651 -0.714 0.576 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.833 0.489 2.673 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.298 1.964 1.849 1.00 0.00 H new ATOM 688 N GLY A 47 -1.820 0.529 2.171 1.00 0.00 N ATOM 689 CA GLY A 47 -0.829 -0.219 2.923 1.00 0.00 C ATOM 690 C GLY A 47 -0.893 0.065 4.410 1.00 0.00 C ATOM 691 O GLY A 47 -1.632 0.947 4.848 1.00 0.00 O ATOM 0 H GLY A 47 -2.121 1.401 2.607 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.978 -1.285 2.753 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.166 0.027 2.552 1.00 0.00 H new ATOM 695 N GLU A 48 -0.118 -0.683 5.188 1.00 0.00 N ATOM 696 CA GLU A 48 -0.092 -0.508 6.636 1.00 0.00 C ATOM 697 C GLU A 48 1.236 0.093 7.087 1.00 0.00 C ATOM 698 O GLU A 48 2.307 -0.405 6.737 1.00 0.00 O ATOM 699 CB GLU A 48 -0.324 -1.847 7.339 1.00 0.00 C ATOM 700 CG GLU A 48 -1.017 -1.716 8.685 1.00 0.00 C ATOM 701 CD GLU A 48 -1.037 -3.019 9.460 1.00 0.00 C ATOM 702 OE1 GLU A 48 0.022 -3.675 9.546 1.00 0.00 O ATOM 703 OE2 GLU A 48 -2.113 -3.382 9.981 1.00 0.00 O ATOM 0 H GLU A 48 0.500 -1.416 4.841 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.893 0.179 6.908 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.923 -2.488 6.692 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.635 -2.344 7.481 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.511 -0.953 9.277 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.040 -1.374 8.531 1.00 0.00 H new ATOM 710 N LEU A 49 1.158 1.166 7.866 1.00 0.00 N ATOM 711 CA LEU A 49 2.354 1.837 8.366 1.00 0.00 C ATOM 712 C LEU A 49 2.131 2.364 9.780 1.00 0.00 C ATOM 713 O LEU A 49 1.290 3.232 10.004 1.00 0.00 O ATOM 714 CB LEU A 49 2.744 2.987 7.437 1.00 0.00 C ATOM 715 CG LEU A 49 4.211 3.417 7.479 1.00 0.00 C ATOM 716 CD1 LEU A 49 5.104 2.322 6.916 1.00 0.00 C ATOM 717 CD2 LEU A 49 4.409 4.716 6.711 1.00 0.00 C ATOM 0 H LEU A 49 0.280 1.590 8.165 1.00 0.00 H new ATOM 0 HA LEU A 49 3.165 1.109 8.392 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.500 2.700 6.414 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.126 3.851 7.682 1.00 0.00 H new ATOM 0 HG LEU A 49 4.490 3.587 8.519 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.144 2.645 6.954 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.984 1.415 7.508 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.824 2.120 5.882 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.459 5.006 6.752 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.112 4.573 5.672 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.798 5.500 7.158 1.00 0.00 H new ATOM 729 N ASN A 50 2.894 1.833 10.731 1.00 0.00 N ATOM 730 CA ASN A 50 2.781 2.251 12.123 1.00 0.00 C ATOM 731 C ASN A 50 1.392 1.942 12.673 1.00 0.00 C ATOM 732 O ASN A 50 0.800 2.753 13.384 1.00 0.00 O ATOM 733 CB ASN A 50 3.073 3.747 12.254 1.00 0.00 C ATOM 734 CG ASN A 50 4.559 4.048 12.264 1.00 0.00 C ATOM 735 OD1 ASN A 50 5.102 4.516 13.265 1.00 0.00 O ATOM 736 ND2 ASN A 50 5.225 3.779 11.147 1.00 0.00 N ATOM 0 H ASN A 50 3.596 1.113 10.562 1.00 0.00 H new ATOM 0 HA ASN A 50 3.515 1.693 12.704 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.603 4.280 11.427 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.623 4.123 13.173 1.00 0.00 H new ATOM 0 HD21 ASN A 50 6.227 3.960 11.095 1.00 0.00 H new ATOM 0 HD22 ASN A 50 4.734 3.392 10.341 1.00 0.00 H new ATOM 743 N GLY A 51 0.877 0.763 12.338 1.00 0.00 N ATOM 744 CA GLY A 51 -0.438 0.367 12.807 1.00 0.00 C ATOM 745 C GLY A 51 -1.538 1.262 12.271 1.00 0.00 C ATOM 746 O GLY A 51 -2.441 1.657 13.008 1.00 0.00 O ATOM 0 H GLY A 51 1.347 0.075 11.750 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.633 -0.663 12.507 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.454 0.390 13.897 1.00 0.00 H new ATOM 750 N ARG A 52 -1.463 1.582 10.983 1.00 0.00 N ATOM 751 CA ARG A 52 -2.458 2.438 10.349 1.00 0.00 C ATOM 752 C ARG A 52 -2.773 1.953 8.937 1.00 0.00 C ATOM 753 O ARG A 52 -1.868 1.711 8.137 1.00 0.00 O ATOM 754 CB ARG A 52 -1.964 3.885 10.305 1.00 0.00 C ATOM 755 CG ARG A 52 -1.858 4.536 11.674 1.00 0.00 C ATOM 756 CD ARG A 52 -1.806 6.052 11.568 1.00 0.00 C ATOM 757 NE ARG A 52 -3.138 6.639 11.459 1.00 0.00 N ATOM 758 CZ ARG A 52 -3.377 7.822 10.903 1.00 0.00 C ATOM 759 NH1 ARG A 52 -2.377 8.539 10.409 1.00 0.00 N ATOM 760 NH2 ARG A 52 -4.617 8.289 10.840 1.00 0.00 N ATOM 0 H ARG A 52 -0.723 1.261 10.358 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.371 2.391 10.942 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.987 3.911 9.823 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.641 4.472 9.685 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.712 4.242 12.285 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.963 4.175 12.181 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.301 6.459 12.444 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.213 6.334 10.698 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.929 6.112 11.830 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.422 8.183 10.455 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -2.562 9.447 9.983 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.389 7.740 11.219 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.799 9.197 10.413 1.00 0.00 H new ATOM 774 N ARG A 53 -4.060 1.813 8.638 1.00 0.00 N ATOM 775 CA ARG A 53 -4.493 1.355 7.324 1.00 0.00 C ATOM 776 C ARG A 53 -5.124 2.496 6.531 1.00 0.00 C ATOM 777 O ARG A 53 -6.246 2.915 6.812 1.00 0.00 O ATOM 778 CB ARG A 53 -5.493 0.205 7.465 1.00 0.00 C ATOM 779 CG ARG A 53 -4.841 -1.168 7.495 1.00 0.00 C ATOM 780 CD ARG A 53 -5.849 -2.270 7.205 1.00 0.00 C ATOM 781 NE ARG A 53 -6.620 -2.632 8.391 1.00 0.00 N ATOM 782 CZ ARG A 53 -7.448 -3.669 8.441 1.00 0.00 C ATOM 783 NH1 ARG A 53 -7.611 -4.443 7.376 1.00 0.00 N ATOM 784 NH2 ARG A 53 -8.115 -3.935 9.557 1.00 0.00 N ATOM 0 H ARG A 53 -4.821 2.010 9.288 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.615 1.001 6.783 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.068 0.345 8.380 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.199 0.245 6.636 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.037 -1.206 6.760 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.388 -1.336 8.472 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.528 -1.942 6.417 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.326 -3.150 6.830 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.517 -2.057 9.227 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.100 -4.242 6.517 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -8.247 -5.239 7.417 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -7.992 -3.343 10.378 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -8.751 -4.732 9.594 1.00 0.00 H new ATOM 798 N GLY A 54 -4.393 2.995 5.539 1.00 0.00 N ATOM 799 CA GLY A 54 -4.896 4.083 4.721 1.00 0.00 C ATOM 800 C GLY A 54 -4.295 4.089 3.330 1.00 0.00 C ATOM 801 O GLY A 54 -3.304 3.406 3.070 1.00 0.00 O ATOM 0 H GLY A 54 -3.461 2.665 5.287 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.980 4.004 4.644 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.679 5.032 5.211 1.00 0.00 H new ATOM 805 N VAL A 55 -4.897 4.860 2.430 1.00 0.00 N ATOM 806 CA VAL A 55 -4.415 4.952 1.057 1.00 0.00 C ATOM 807 C VAL A 55 -3.211 5.881 0.957 1.00 0.00 C ATOM 808 O VAL A 55 -2.993 6.728 1.824 1.00 0.00 O ATOM 809 CB VAL A 55 -5.519 5.455 0.107 1.00 0.00 C ATOM 810 CG1 VAL A 55 -6.684 4.478 0.076 1.00 0.00 C ATOM 811 CG2 VAL A 55 -5.986 6.842 0.523 1.00 0.00 C ATOM 0 H VAL A 55 -5.720 5.430 2.627 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.119 3.946 0.758 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.106 5.521 -0.900 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.453 4.851 -0.600 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.335 3.506 -0.272 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.100 4.376 1.078 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.766 7.183 -0.158 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.382 6.803 1.538 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.145 7.535 0.488 1.00 0.00 H new ATOM 821 N PHE A 56 -2.431 5.719 -0.107 1.00 0.00 N ATOM 822 CA PHE A 56 -1.248 6.543 -0.320 1.00 0.00 C ATOM 823 C PHE A 56 -0.883 6.598 -1.801 1.00 0.00 C ATOM 824 O PHE A 56 -1.176 5.685 -2.573 1.00 0.00 O ATOM 825 CB PHE A 56 -0.068 5.998 0.487 1.00 0.00 C ATOM 826 CG PHE A 56 0.369 4.626 0.058 1.00 0.00 C ATOM 827 CD1 PHE A 56 0.965 4.429 -1.177 1.00 0.00 C ATOM 828 CD2 PHE A 56 0.183 3.534 0.890 1.00 0.00 C ATOM 829 CE1 PHE A 56 1.369 3.168 -1.575 1.00 0.00 C ATOM 830 CE2 PHE A 56 0.585 2.271 0.498 1.00 0.00 C ATOM 831 CZ PHE A 56 1.177 2.088 -0.736 1.00 0.00 C ATOM 0 H PHE A 56 -2.598 5.024 -0.835 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.475 7.554 0.019 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.774 6.684 0.394 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.341 5.970 1.542 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.116 5.271 -1.837 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.281 3.671 1.855 1.00 0.00 H new ATOM 0 HE1 PHE A 56 1.834 3.028 -2.540 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.436 1.428 1.156 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.490 1.101 -1.045 1.00 0.00 H new ATOM 841 N PRO A 57 -0.228 7.696 -2.208 1.00 0.00 N ATOM 842 CA PRO A 57 0.191 7.898 -3.598 1.00 0.00 C ATOM 843 C PRO A 57 1.317 6.955 -4.007 1.00 0.00 C ATOM 844 O PRO A 57 2.463 7.125 -3.590 1.00 0.00 O ATOM 845 CB PRO A 57 0.675 9.350 -3.615 1.00 0.00 C ATOM 846 CG PRO A 57 1.081 9.630 -2.209 1.00 0.00 C ATOM 847 CD PRO A 57 0.154 8.824 -1.342 1.00 0.00 C ATOM 0 HA PRO A 57 -0.617 7.696 -4.301 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.511 9.481 -4.302 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.115 10.027 -3.941 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.120 9.346 -2.039 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.000 10.693 -1.984 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.649 8.483 -0.433 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.715 9.406 -1.033 1.00 0.00 H new ATOM 855 N ASP A 58 0.984 5.963 -4.824 1.00 0.00 N ATOM 856 CA ASP A 58 1.969 4.994 -5.291 1.00 0.00 C ATOM 857 C ASP A 58 3.223 5.696 -5.803 1.00 0.00 C ATOM 858 O ASP A 58 4.341 5.337 -5.435 1.00 0.00 O ATOM 859 CB ASP A 58 1.373 4.119 -6.395 1.00 0.00 C ATOM 860 CG ASP A 58 2.436 3.480 -7.265 1.00 0.00 C ATOM 861 OD1 ASP A 58 3.588 3.352 -6.798 1.00 0.00 O ATOM 862 OD2 ASP A 58 2.118 3.106 -8.413 1.00 0.00 O ATOM 0 H ASP A 58 0.040 5.808 -5.177 1.00 0.00 H new ATOM 0 HA ASP A 58 2.247 4.362 -4.448 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.759 3.339 -5.945 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.714 4.724 -7.018 1.00 0.00 H new ATOM 867 N ASN A 59 3.028 6.698 -6.654 1.00 0.00 N ATOM 868 CA ASN A 59 4.143 7.450 -7.218 1.00 0.00 C ATOM 869 C ASN A 59 5.181 7.768 -6.146 1.00 0.00 C ATOM 870 O ASN A 59 6.382 7.592 -6.358 1.00 0.00 O ATOM 871 CB ASN A 59 3.640 8.745 -7.858 1.00 0.00 C ATOM 872 CG ASN A 59 2.329 8.555 -8.596 1.00 0.00 C ATOM 873 OD1 ASN A 59 1.302 8.248 -7.990 1.00 0.00 O ATOM 874 ND2 ASN A 59 2.359 8.736 -9.911 1.00 0.00 N ATOM 0 H ASN A 59 2.108 7.008 -6.968 1.00 0.00 H new ATOM 0 HA ASN A 59 4.615 6.834 -7.984 1.00 0.00 H new ATOM 0 HB2 ASN A 59 3.512 9.503 -7.085 1.00 0.00 H new ATOM 0 HB3 ASN A 59 4.393 9.121 -8.551 1.00 0.00 H new ATOM 0 HD21 ASN A 59 1.508 8.621 -10.461 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.233 8.990 -10.371 1.00 0.00 H new ATOM 881 N PHE A 60 4.711 8.237 -4.995 1.00 0.00 N ATOM 882 CA PHE A 60 5.598 8.581 -3.890 1.00 0.00 C ATOM 883 C PHE A 60 6.444 7.380 -3.478 1.00 0.00 C ATOM 884 O PHE A 60 7.619 7.521 -3.138 1.00 0.00 O ATOM 885 CB PHE A 60 4.787 9.082 -2.694 1.00 0.00 C ATOM 886 CG PHE A 60 4.486 10.552 -2.747 1.00 0.00 C ATOM 887 CD1 PHE A 60 3.672 11.071 -3.741 1.00 0.00 C ATOM 888 CD2 PHE A 60 5.017 11.416 -1.803 1.00 0.00 C ATOM 889 CE1 PHE A 60 3.394 12.424 -3.792 1.00 0.00 C ATOM 890 CE2 PHE A 60 4.743 12.770 -1.849 1.00 0.00 C ATOM 891 CZ PHE A 60 3.929 13.274 -2.844 1.00 0.00 C ATOM 0 H PHE A 60 3.721 8.388 -4.803 1.00 0.00 H new ATOM 0 HA PHE A 60 6.265 9.375 -4.226 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.849 8.529 -2.644 1.00 0.00 H new ATOM 0 HB3 PHE A 60 5.335 8.864 -1.777 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.250 10.411 -4.484 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.653 11.027 -1.022 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.759 12.816 -4.573 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.165 13.433 -1.108 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.711 14.331 -2.881 1.00 0.00 H new ATOM 901 N VAL A 61 5.838 6.197 -3.511 1.00 0.00 N ATOM 902 CA VAL A 61 6.534 4.971 -3.142 1.00 0.00 C ATOM 903 C VAL A 61 6.924 4.167 -4.377 1.00 0.00 C ATOM 904 O VAL A 61 6.603 4.544 -5.504 1.00 0.00 O ATOM 905 CB VAL A 61 5.669 4.089 -2.221 1.00 0.00 C ATOM 906 CG1 VAL A 61 5.301 4.843 -0.952 1.00 0.00 C ATOM 907 CG2 VAL A 61 4.421 3.619 -2.953 1.00 0.00 C ATOM 0 H VAL A 61 4.866 6.062 -3.790 1.00 0.00 H new ATOM 0 HA VAL A 61 7.435 5.269 -2.606 1.00 0.00 H new ATOM 0 HB VAL A 61 6.249 3.210 -1.938 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.690 4.205 -0.314 1.00 0.00 H new ATOM 0 HG12 VAL A 61 6.210 5.125 -0.420 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.739 5.740 -1.212 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.822 2.997 -2.288 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.836 4.484 -3.267 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.710 3.039 -3.829 1.00 0.00 H new ATOM 917 N LYS A 62 7.619 3.055 -4.158 1.00 0.00 N ATOM 918 CA LYS A 62 8.052 2.195 -5.253 1.00 0.00 C ATOM 919 C LYS A 62 7.961 0.725 -4.858 1.00 0.00 C ATOM 920 O LYS A 62 7.949 0.389 -3.673 1.00 0.00 O ATOM 921 CB LYS A 62 9.486 2.538 -5.661 1.00 0.00 C ATOM 922 CG LYS A 62 9.593 3.783 -6.524 1.00 0.00 C ATOM 923 CD LYS A 62 9.207 3.498 -7.965 1.00 0.00 C ATOM 924 CE LYS A 62 8.882 4.778 -8.719 1.00 0.00 C ATOM 925 NZ LYS A 62 8.021 4.520 -9.906 1.00 0.00 N ATOM 0 H LYS A 62 7.894 2.729 -3.232 1.00 0.00 H new ATOM 0 HA LYS A 62 7.389 2.366 -6.101 1.00 0.00 H new ATOM 0 HB2 LYS A 62 10.087 2.677 -4.762 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.912 1.693 -6.202 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.947 4.563 -6.121 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.613 4.165 -6.489 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.024 2.977 -8.465 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.344 2.833 -7.987 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.378 5.475 -8.050 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.808 5.256 -9.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.822 5.418 -10.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.512 3.875 -10.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.127 4.088 -9.599 1.00 0.00 H new ATOM 939 N LEU A 63 7.900 -0.149 -5.857 1.00 0.00 N ATOM 940 CA LEU A 63 7.813 -1.585 -5.614 1.00 0.00 C ATOM 941 C LEU A 63 9.202 -2.206 -5.519 1.00 0.00 C ATOM 942 O LEU A 63 10.003 -2.108 -6.449 1.00 0.00 O ATOM 943 CB LEU A 63 7.013 -2.263 -6.728 1.00 0.00 C ATOM 944 CG LEU A 63 5.518 -2.445 -6.465 1.00 0.00 C ATOM 945 CD1 LEU A 63 5.283 -3.585 -5.486 1.00 0.00 C ATOM 946 CD2 LEU A 63 4.907 -1.154 -5.940 1.00 0.00 C ATOM 0 H LEU A 63 7.909 0.112 -6.843 1.00 0.00 H new ATOM 0 HA LEU A 63 7.302 -1.738 -4.664 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.133 -1.679 -7.641 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.450 -3.243 -6.917 1.00 0.00 H new ATOM 0 HG LEU A 63 5.031 -2.696 -7.407 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.213 -3.700 -5.311 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.684 -4.510 -5.901 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.783 -3.364 -4.543 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.843 -1.303 -5.759 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.398 -0.872 -5.009 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.042 -0.362 -6.676 1.00 0.00 H new ATOM 958 N LEU A 64 9.482 -2.847 -4.389 1.00 0.00 N ATOM 959 CA LEU A 64 10.774 -3.488 -4.173 1.00 0.00 C ATOM 960 C LEU A 64 10.832 -4.846 -4.865 1.00 0.00 C ATOM 961 O LEU A 64 9.837 -5.570 -4.917 1.00 0.00 O ATOM 962 CB LEU A 64 11.039 -3.654 -2.675 1.00 0.00 C ATOM 963 CG LEU A 64 11.058 -2.367 -1.850 1.00 0.00 C ATOM 964 CD1 LEU A 64 11.064 -2.686 -0.363 1.00 0.00 C ATOM 965 CD2 LEU A 64 12.264 -1.515 -2.220 1.00 0.00 C ATOM 0 H LEU A 64 8.831 -2.936 -3.609 1.00 0.00 H new ATOM 0 HA LEU A 64 11.545 -2.849 -4.604 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.277 -4.315 -2.263 1.00 0.00 H new ATOM 0 HB3 LEU A 64 11.998 -4.156 -2.550 1.00 0.00 H new ATOM 0 HG LEU A 64 10.155 -1.800 -2.075 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.078 -1.758 0.208 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.170 -3.255 -0.109 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.949 -3.274 -0.121 1.00 0.00 H new ATOM 0 HD21 LEU A 64 12.262 -0.603 -1.623 1.00 0.00 H new ATOM 0 HD22 LEU A 64 13.179 -2.075 -2.024 1.00 0.00 H new ATOM 0 HD23 LEU A 64 12.216 -1.257 -3.278 1.00 0.00 H new