USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 470 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 60 ASN : amide:sc= 0.0295 K(o=0.28,f=-1.2) USER MOD Set 1.2: A 62 THR OG1 : rot 105:sc= 0.286 USER MOD Set 1.3: A 63 THR OG1 : rot 180:sc= -0.0397 USER MOD Set 2.1: A 33 ASN : amide:sc= 0.221 X(o=0.4,f=0.24) USER MOD Set 2.2: A 59 TYR OH : rot 180:sc= 0.176 USER MOD Set 3.1: A 7 GLN : amide:sc= -0.0119 K(o=-0.012,f=-1.1) USER MOD Set 3.2: A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot -158:sc= 1.22 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -156:sc= -0.103 (180deg=-0.556) USER MOD Single : A 16 LYS NZ :NH3+ 159:sc= 0.213 (180deg=-0.166) USER MOD Single : A 25 HIS : no HD1:sc= -1.47 K(o=-1.5,f=-2.2!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.0622 X(o=-0.062,f=-0.11) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= -0.747 USER MOD ----------------------------------------------------------------- ATOM 81 N TYR A 6 4.889 -5.242 -14.092 1.00 0.00 N ATOM 82 CA TYR A 6 3.553 -4.858 -14.663 1.00 0.00 C ATOM 83 C TYR A 6 3.341 -3.352 -14.465 1.00 0.00 C ATOM 84 O TYR A 6 3.877 -2.773 -13.541 1.00 0.00 O ATOM 85 CB TYR A 6 2.403 -5.645 -13.944 1.00 0.00 C ATOM 86 CG TYR A 6 2.887 -6.812 -13.047 1.00 0.00 C ATOM 87 CD1 TYR A 6 3.714 -7.819 -13.525 1.00 0.00 C ATOM 88 CD2 TYR A 6 2.476 -6.870 -11.726 1.00 0.00 C ATOM 89 CE1 TYR A 6 4.113 -8.848 -12.696 1.00 0.00 C ATOM 90 CE2 TYR A 6 2.879 -7.896 -10.903 1.00 0.00 C ATOM 91 CZ TYR A 6 3.695 -8.893 -11.383 1.00 0.00 C ATOM 92 OH TYR A 6 4.090 -9.917 -10.549 1.00 0.00 O ATOM 0 HA TYR A 6 3.534 -5.104 -15.725 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.829 -4.948 -13.333 1.00 0.00 H new ATOM 0 HB3 TYR A 6 1.724 -6.041 -14.699 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.047 -7.797 -14.552 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.829 -6.098 -11.336 1.00 0.00 H new ATOM 0 HE1 TYR A 6 4.758 -9.625 -13.079 1.00 0.00 H new ATOM 0 HE2 TYR A 6 2.552 -7.918 -9.874 1.00 0.00 H new ATOM 0 HH TYR A 6 3.700 -9.784 -9.660 1.00 0.00 H new ATOM 102 N GLN A 7 2.564 -2.773 -15.346 1.00 0.00 N ATOM 103 CA GLN A 7 2.294 -1.300 -15.276 1.00 0.00 C ATOM 104 C GLN A 7 0.800 -0.979 -15.320 1.00 0.00 C ATOM 105 O GLN A 7 -0.025 -1.770 -15.738 1.00 0.00 O ATOM 106 CB GLN A 7 2.987 -0.583 -16.455 1.00 0.00 C ATOM 107 CG GLN A 7 4.507 -0.527 -16.212 1.00 0.00 C ATOM 108 CD GLN A 7 5.252 -0.063 -17.474 1.00 0.00 C ATOM 109 OE1 GLN A 7 4.783 -0.188 -18.590 1.00 0.00 O ATOM 110 NE2 GLN A 7 6.429 0.480 -17.336 1.00 0.00 N ATOM 0 H GLN A 7 2.102 -3.258 -16.115 1.00 0.00 H new ATOM 0 HA GLN A 7 2.690 -0.950 -14.323 1.00 0.00 H new ATOM 0 HB2 GLN A 7 2.778 -1.109 -17.386 1.00 0.00 H new ATOM 0 HB3 GLN A 7 2.589 0.426 -16.563 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.722 0.154 -15.388 1.00 0.00 H new ATOM 0 HG3 GLN A 7 4.867 -1.512 -15.914 1.00 0.00 H new ATOM 0 HE21 GLN A 7 6.834 0.591 -16.406 1.00 0.00 H new ATOM 0 HE22 GLN A 7 6.945 0.794 -18.158 1.00 0.00 H new ATOM 119 N TYR A 8 0.531 0.218 -14.868 1.00 0.00 N ATOM 120 CA TYR A 8 -0.858 0.698 -14.624 1.00 0.00 C ATOM 121 C TYR A 8 -0.816 2.201 -14.885 1.00 0.00 C ATOM 122 O TYR A 8 -0.102 2.932 -14.226 1.00 0.00 O ATOM 123 CB TYR A 8 -1.279 0.444 -13.159 1.00 0.00 C ATOM 124 CG TYR A 8 -1.348 -1.064 -12.875 1.00 0.00 C ATOM 125 CD1 TYR A 8 -0.221 -1.738 -12.448 1.00 0.00 C ATOM 126 CD2 TYR A 8 -2.528 -1.767 -13.042 1.00 0.00 C ATOM 127 CE1 TYR A 8 -0.272 -3.089 -12.191 1.00 0.00 C ATOM 128 CE2 TYR A 8 -2.576 -3.123 -12.783 1.00 0.00 C ATOM 129 CZ TYR A 8 -1.447 -3.791 -12.357 1.00 0.00 C ATOM 130 OH TYR A 8 -1.489 -5.147 -12.097 1.00 0.00 O ATOM 0 H TYR A 8 1.249 0.909 -14.650 1.00 0.00 H new ATOM 0 HA TYR A 8 -1.573 0.179 -15.262 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -0.566 0.916 -12.482 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -2.250 0.901 -12.969 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.707 -1.201 -12.315 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -3.417 -1.253 -13.377 1.00 0.00 H new ATOM 0 HE1 TYR A 8 0.616 -3.604 -11.856 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -3.502 -3.663 -12.915 1.00 0.00 H new ATOM 0 HH TYR A 8 -2.243 -5.549 -12.577 1.00 0.00 H new ATOM 140 N ARG A 9 -1.592 2.602 -15.850 1.00 0.00 N ATOM 141 CA ARG A 9 -1.653 4.031 -16.258 1.00 0.00 C ATOM 142 C ARG A 9 -2.833 4.653 -15.509 1.00 0.00 C ATOM 143 O ARG A 9 -3.945 4.165 -15.608 1.00 0.00 O ATOM 144 CB ARG A 9 -1.842 4.040 -17.781 1.00 0.00 C ATOM 145 CG ARG A 9 -2.009 5.471 -18.343 1.00 0.00 C ATOM 146 CD ARG A 9 -3.404 5.574 -18.986 1.00 0.00 C ATOM 147 NE ARG A 9 -3.741 7.019 -19.165 1.00 0.00 N ATOM 148 CZ ARG A 9 -3.510 7.604 -20.311 1.00 0.00 C ATOM 149 NH1 ARG A 9 -2.288 7.649 -20.767 1.00 0.00 N ATOM 150 NH2 ARG A 9 -4.508 8.128 -20.967 1.00 0.00 N ATOM 0 H ARG A 9 -2.201 1.984 -16.386 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.758 4.606 -16.019 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -0.983 3.564 -18.254 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.718 3.446 -18.040 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.902 6.207 -17.546 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.234 5.683 -19.080 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.416 5.061 -19.948 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -4.148 5.087 -18.355 1.00 0.00 H new ATOM 0 HE ARG A 9 -4.150 7.548 -18.395 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -1.528 7.231 -20.231 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.093 8.102 -21.660 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -5.452 8.078 -20.584 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -4.344 8.588 -21.863 1.00 0.00 H new ATOM 164 N ALA A 10 -2.557 5.705 -14.779 1.00 0.00 N ATOM 165 CA ALA A 10 -3.663 6.464 -14.107 1.00 0.00 C ATOM 166 C ALA A 10 -4.715 6.908 -15.140 1.00 0.00 C ATOM 167 O ALA A 10 -4.434 7.713 -16.009 1.00 0.00 O ATOM 168 CB ALA A 10 -3.068 7.704 -13.388 1.00 0.00 C ATOM 0 H ALA A 10 -1.619 6.072 -14.618 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.150 5.817 -13.377 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.868 8.259 -12.898 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.342 7.379 -12.642 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.575 8.346 -14.118 1.00 0.00 H new ATOM 174 N LEU A 11 -5.895 6.356 -15.006 1.00 0.00 N ATOM 175 CA LEU A 11 -7.034 6.742 -15.898 1.00 0.00 C ATOM 176 C LEU A 11 -7.639 8.075 -15.444 1.00 0.00 C ATOM 177 O LEU A 11 -8.127 8.841 -16.252 1.00 0.00 O ATOM 178 CB LEU A 11 -8.120 5.644 -15.846 1.00 0.00 C ATOM 179 CG LEU A 11 -8.852 5.569 -17.219 1.00 0.00 C ATOM 180 CD1 LEU A 11 -8.043 4.665 -18.199 1.00 0.00 C ATOM 181 CD2 LEU A 11 -10.294 5.013 -17.027 1.00 0.00 C ATOM 0 H LEU A 11 -6.121 5.646 -14.309 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.663 6.851 -16.917 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.667 4.681 -15.611 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.835 5.862 -15.053 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.923 6.571 -17.643 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.559 4.615 -19.158 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.048 5.085 -18.344 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.956 3.662 -17.781 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.797 4.965 -17.993 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.244 4.014 -16.593 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.852 5.671 -16.360 1.00 0.00 H new ATOM 193 N TYR A 12 -7.584 8.295 -14.156 1.00 0.00 N ATOM 194 CA TYR A 12 -8.151 9.535 -13.553 1.00 0.00 C ATOM 195 C TYR A 12 -7.207 10.030 -12.463 1.00 0.00 C ATOM 196 O TYR A 12 -6.601 9.249 -11.757 1.00 0.00 O ATOM 197 CB TYR A 12 -9.542 9.219 -12.949 1.00 0.00 C ATOM 198 CG TYR A 12 -10.593 10.156 -13.563 1.00 0.00 C ATOM 199 CD1 TYR A 12 -11.167 9.852 -14.782 1.00 0.00 C ATOM 200 CD2 TYR A 12 -10.978 11.311 -12.908 1.00 0.00 C ATOM 201 CE1 TYR A 12 -12.113 10.689 -15.336 1.00 0.00 C ATOM 202 CE2 TYR A 12 -11.924 12.146 -13.464 1.00 0.00 C ATOM 203 CZ TYR A 12 -12.499 11.840 -14.681 1.00 0.00 C ATOM 204 OH TYR A 12 -13.446 12.676 -15.235 1.00 0.00 O ATOM 0 H TYR A 12 -7.161 7.654 -13.485 1.00 0.00 H new ATOM 0 HA TYR A 12 -8.261 10.308 -14.314 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -9.807 8.180 -13.144 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -9.517 9.343 -11.866 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -10.873 8.954 -15.304 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -10.535 11.561 -11.955 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -12.555 10.441 -16.290 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -12.217 13.046 -12.944 1.00 0.00 H new ATOM 0 HH TYR A 12 -13.598 13.439 -14.639 1.00 0.00 H new ATOM 214 N ASP A 13 -7.125 11.328 -12.373 1.00 0.00 N ATOM 215 CA ASP A 13 -6.338 11.990 -11.315 1.00 0.00 C ATOM 216 C ASP A 13 -6.923 11.695 -9.919 1.00 0.00 C ATOM 217 O ASP A 13 -7.977 12.188 -9.572 1.00 0.00 O ATOM 218 CB ASP A 13 -6.350 13.495 -11.650 1.00 0.00 C ATOM 219 CG ASP A 13 -7.760 13.999 -12.040 1.00 0.00 C ATOM 220 OD1 ASP A 13 -8.478 14.402 -11.140 1.00 0.00 O ATOM 221 OD2 ASP A 13 -8.039 13.952 -13.228 1.00 0.00 O ATOM 0 H ASP A 13 -7.589 11.971 -13.014 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.315 11.616 -11.283 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.990 14.059 -10.790 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.658 13.688 -12.470 1.00 0.00 H new ATOM 226 N TYR A 14 -6.213 10.890 -9.167 1.00 0.00 N ATOM 227 CA TYR A 14 -6.671 10.514 -7.790 1.00 0.00 C ATOM 228 C TYR A 14 -5.677 11.115 -6.795 1.00 0.00 C ATOM 229 O TYR A 14 -4.486 11.059 -7.018 1.00 0.00 O ATOM 230 CB TYR A 14 -6.702 8.966 -7.702 1.00 0.00 C ATOM 231 CG TYR A 14 -6.825 8.453 -6.252 1.00 0.00 C ATOM 232 CD1 TYR A 14 -7.880 8.836 -5.444 1.00 0.00 C ATOM 233 CD2 TYR A 14 -5.872 7.595 -5.741 1.00 0.00 C ATOM 234 CE1 TYR A 14 -7.979 8.361 -4.151 1.00 0.00 C ATOM 235 CE2 TYR A 14 -5.973 7.122 -4.448 1.00 0.00 C ATOM 236 CZ TYR A 14 -7.025 7.503 -3.642 1.00 0.00 C ATOM 237 OH TYR A 14 -7.117 7.021 -2.352 1.00 0.00 O ATOM 0 H TYR A 14 -5.327 10.472 -9.450 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.668 10.892 -7.565 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.540 8.590 -8.288 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.794 8.563 -8.150 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -8.631 9.511 -5.827 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -5.040 7.291 -6.358 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -8.811 8.664 -3.532 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -5.222 6.448 -4.064 1.00 0.00 H new ATOM 0 HH TYR A 14 -6.357 6.430 -2.169 1.00 0.00 H new ATOM 247 N LYS A 15 -6.172 11.681 -5.729 1.00 0.00 N ATOM 248 CA LYS A 15 -5.259 12.235 -4.688 1.00 0.00 C ATOM 249 C LYS A 15 -4.948 11.134 -3.664 1.00 0.00 C ATOM 250 O LYS A 15 -5.405 10.014 -3.796 1.00 0.00 O ATOM 251 CB LYS A 15 -5.973 13.452 -4.047 1.00 0.00 C ATOM 252 CG LYS A 15 -5.333 14.757 -4.595 1.00 0.00 C ATOM 253 CD LYS A 15 -6.113 16.013 -4.113 1.00 0.00 C ATOM 254 CE LYS A 15 -7.331 16.306 -5.019 1.00 0.00 C ATOM 255 NZ LYS A 15 -6.894 16.641 -6.406 1.00 0.00 N ATOM 0 H LYS A 15 -7.168 11.784 -5.533 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.308 12.566 -5.106 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.038 13.429 -4.278 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.881 13.414 -2.962 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.296 14.822 -4.266 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.321 14.729 -5.685 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.449 15.862 -3.087 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.447 16.876 -4.107 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.990 15.438 -5.041 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.907 17.134 -4.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.629 17.210 -6.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.007 17.183 -6.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.741 15.764 -6.943 1.00 0.00 H new ATOM 269 N LYS A 16 -4.177 11.486 -2.668 1.00 0.00 N ATOM 270 CA LYS A 16 -3.953 10.557 -1.513 1.00 0.00 C ATOM 271 C LYS A 16 -5.019 10.813 -0.442 1.00 0.00 C ATOM 272 O LYS A 16 -5.149 11.917 0.047 1.00 0.00 O ATOM 273 CB LYS A 16 -2.534 10.793 -0.906 1.00 0.00 C ATOM 274 CG LYS A 16 -2.091 12.273 -1.030 1.00 0.00 C ATOM 275 CD LYS A 16 -1.117 12.635 0.121 1.00 0.00 C ATOM 276 CE LYS A 16 -0.433 14.003 -0.136 1.00 0.00 C ATOM 277 NZ LYS A 16 -1.374 14.990 -0.738 1.00 0.00 N ATOM 0 H LYS A 16 -3.690 12.380 -2.602 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.023 9.527 -1.861 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.535 10.501 0.144 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.811 10.154 -1.413 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.606 12.436 -1.992 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.963 12.926 -0.998 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.661 12.669 1.065 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.359 11.858 0.218 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.045 14.397 0.803 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.420 13.863 -0.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.020 15.954 -0.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.448 14.820 -1.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.312 14.886 -0.301 1.00 0.00 H new ATOM 291 N GLU A 17 -5.750 9.775 -0.112 1.00 0.00 N ATOM 292 CA GLU A 17 -6.709 9.845 1.041 1.00 0.00 C ATOM 293 C GLU A 17 -6.019 9.421 2.350 1.00 0.00 C ATOM 294 O GLU A 17 -6.590 9.552 3.416 1.00 0.00 O ATOM 295 CB GLU A 17 -7.906 8.907 0.737 1.00 0.00 C ATOM 296 CG GLU A 17 -9.194 9.438 1.415 1.00 0.00 C ATOM 297 CD GLU A 17 -10.354 8.444 1.195 1.00 0.00 C ATOM 298 OE1 GLU A 17 -10.693 8.243 0.039 1.00 0.00 O ATOM 299 OE2 GLU A 17 -10.843 7.938 2.194 1.00 0.00 O ATOM 0 H GLU A 17 -5.725 8.876 -0.594 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.058 10.870 1.167 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.057 8.837 -0.340 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.688 7.901 1.094 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.022 9.578 2.482 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.456 10.413 1.003 1.00 0.00 H new ATOM 306 N ARG A 18 -4.810 8.933 2.221 1.00 0.00 N ATOM 307 CA ARG A 18 -4.007 8.482 3.401 1.00 0.00 C ATOM 308 C ARG A 18 -2.524 8.798 3.167 1.00 0.00 C ATOM 309 O ARG A 18 -2.062 8.824 2.042 1.00 0.00 O ATOM 310 CB ARG A 18 -4.206 6.961 3.581 1.00 0.00 C ATOM 311 CG ARG A 18 -3.614 6.480 4.937 1.00 0.00 C ATOM 312 CD ARG A 18 -4.535 5.433 5.594 1.00 0.00 C ATOM 313 NE ARG A 18 -4.777 4.320 4.627 1.00 0.00 N ATOM 314 CZ ARG A 18 -5.998 3.977 4.312 1.00 0.00 C ATOM 315 NH1 ARG A 18 -6.732 3.356 5.194 1.00 0.00 N ATOM 316 NH2 ARG A 18 -6.448 4.267 3.122 1.00 0.00 N ATOM 0 H ARG A 18 -4.334 8.826 1.325 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.336 9.003 4.300 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.269 6.722 3.538 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.726 6.428 2.760 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.625 6.051 4.776 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.487 7.331 5.606 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.076 5.047 6.504 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.480 5.892 5.883 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.987 3.826 4.212 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.351 3.144 6.116 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.687 3.083 4.961 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.849 4.754 2.455 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.399 4.007 2.859 1.00 0.00 H new ATOM 330 N GLU A 19 -1.823 9.027 4.248 1.00 0.00 N ATOM 331 CA GLU A 19 -0.335 9.217 4.188 1.00 0.00 C ATOM 332 C GLU A 19 0.399 8.043 3.516 1.00 0.00 C ATOM 333 O GLU A 19 1.547 8.165 3.132 1.00 0.00 O ATOM 334 CB GLU A 19 0.230 9.408 5.629 1.00 0.00 C ATOM 335 CG GLU A 19 -0.584 8.623 6.678 1.00 0.00 C ATOM 336 CD GLU A 19 -1.678 9.525 7.295 1.00 0.00 C ATOM 337 OE1 GLU A 19 -1.296 10.524 7.884 1.00 0.00 O ATOM 338 OE2 GLU A 19 -2.836 9.168 7.145 1.00 0.00 O ATOM 0 H GLU A 19 -2.221 9.092 5.185 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.159 10.103 3.578 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.269 9.080 5.657 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.223 10.468 5.884 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.043 7.750 6.213 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.079 8.256 7.462 1.00 0.00 H new ATOM 345 N GLU A 20 -0.298 6.947 3.392 1.00 0.00 N ATOM 346 CA GLU A 20 0.238 5.760 2.652 1.00 0.00 C ATOM 347 C GLU A 20 0.094 5.949 1.132 1.00 0.00 C ATOM 348 O GLU A 20 0.989 5.612 0.385 1.00 0.00 O ATOM 349 CB GLU A 20 -0.532 4.492 3.092 1.00 0.00 C ATOM 350 CG GLU A 20 0.049 3.947 4.425 1.00 0.00 C ATOM 351 CD GLU A 20 1.234 2.974 4.180 1.00 0.00 C ATOM 352 OE1 GLU A 20 1.979 3.198 3.236 1.00 0.00 O ATOM 353 OE2 GLU A 20 1.332 2.046 4.967 1.00 0.00 O ATOM 0 H GLU A 20 -1.233 6.818 3.778 1.00 0.00 H new ATOM 0 HA GLU A 20 1.297 5.653 2.886 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.590 4.725 3.216 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.462 3.728 2.317 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.384 4.780 5.043 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.735 3.433 4.980 1.00 0.00 H new ATOM 360 N ASP A 21 -1.032 6.479 0.724 1.00 0.00 N ATOM 361 CA ASP A 21 -1.251 6.817 -0.720 1.00 0.00 C ATOM 362 C ASP A 21 -0.426 8.044 -1.141 1.00 0.00 C ATOM 363 O ASP A 21 0.119 8.738 -0.303 1.00 0.00 O ATOM 364 CB ASP A 21 -2.749 7.087 -0.930 1.00 0.00 C ATOM 365 CG ASP A 21 -3.512 5.750 -0.931 1.00 0.00 C ATOM 366 OD1 ASP A 21 -3.546 5.139 0.126 1.00 0.00 O ATOM 367 OD2 ASP A 21 -4.016 5.416 -1.989 1.00 0.00 O ATOM 0 H ASP A 21 -1.819 6.695 1.336 1.00 0.00 H new ATOM 0 HA ASP A 21 -0.924 5.980 -1.338 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.128 7.734 -0.139 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -2.907 7.610 -1.873 1.00 0.00 H new ATOM 372 N ILE A 22 -0.367 8.266 -2.432 1.00 0.00 N ATOM 373 CA ILE A 22 0.335 9.475 -2.986 1.00 0.00 C ATOM 374 C ILE A 22 -0.610 10.244 -3.917 1.00 0.00 C ATOM 375 O ILE A 22 -1.807 10.030 -3.910 1.00 0.00 O ATOM 376 CB ILE A 22 1.624 9.051 -3.797 1.00 0.00 C ATOM 377 CG1 ILE A 22 1.942 7.546 -3.611 1.00 0.00 C ATOM 378 CG2 ILE A 22 2.832 9.933 -3.365 1.00 0.00 C ATOM 379 CD1 ILE A 22 3.175 7.152 -4.447 1.00 0.00 C ATOM 0 H ILE A 22 -0.780 7.655 -3.137 1.00 0.00 H new ATOM 0 HA ILE A 22 0.632 10.109 -2.151 1.00 0.00 H new ATOM 0 HB ILE A 22 1.431 9.210 -4.858 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.126 7.334 -2.558 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.083 6.946 -3.912 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.718 9.637 -3.927 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.608 10.981 -3.566 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.017 9.800 -2.299 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.386 6.092 -4.306 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.977 7.346 -5.501 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.035 7.739 -4.126 1.00 0.00 H new ATOM 391 N ASP A 23 -0.015 11.117 -4.689 1.00 0.00 N ATOM 392 CA ASP A 23 -0.786 11.976 -5.635 1.00 0.00 C ATOM 393 C ASP A 23 -0.692 11.400 -7.046 1.00 0.00 C ATOM 394 O ASP A 23 0.334 11.451 -7.694 1.00 0.00 O ATOM 395 CB ASP A 23 -0.202 13.383 -5.570 1.00 0.00 C ATOM 396 CG ASP A 23 -0.394 13.881 -4.125 1.00 0.00 C ATOM 397 OD1 ASP A 23 -1.469 14.398 -3.864 1.00 0.00 O ATOM 398 OD2 ASP A 23 0.545 13.711 -3.364 1.00 0.00 O ATOM 0 H ASP A 23 0.993 11.273 -4.703 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.841 12.009 -5.363 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.854 13.375 -5.839 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.706 14.043 -6.276 1.00 0.00 H new ATOM 403 N LEU A 24 -1.801 10.857 -7.461 1.00 0.00 N ATOM 404 CA LEU A 24 -1.964 10.370 -8.860 1.00 0.00 C ATOM 405 C LEU A 24 -2.569 11.478 -9.725 1.00 0.00 C ATOM 406 O LEU A 24 -3.629 11.994 -9.433 1.00 0.00 O ATOM 407 CB LEU A 24 -2.879 9.114 -8.824 1.00 0.00 C ATOM 408 CG LEU A 24 -2.179 8.018 -7.964 1.00 0.00 C ATOM 409 CD1 LEU A 24 -2.446 8.231 -6.438 1.00 0.00 C ATOM 410 CD2 LEU A 24 -2.618 6.596 -8.400 1.00 0.00 C ATOM 0 H LEU A 24 -2.624 10.727 -6.873 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.002 10.103 -9.296 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.851 9.365 -8.400 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.058 8.746 -9.834 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.106 8.110 -8.134 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.943 7.449 -5.868 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.063 9.205 -6.134 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.518 8.187 -6.247 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.113 5.854 -7.782 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.697 6.495 -8.280 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.353 6.438 -9.446 1.00 0.00 H new ATOM 422 N HIS A 25 -1.861 11.810 -10.767 1.00 0.00 N ATOM 423 CA HIS A 25 -2.400 12.717 -11.826 1.00 0.00 C ATOM 424 C HIS A 25 -2.425 11.958 -13.156 1.00 0.00 C ATOM 425 O HIS A 25 -1.839 10.898 -13.272 1.00 0.00 O ATOM 426 CB HIS A 25 -1.505 13.991 -11.954 1.00 0.00 C ATOM 427 CG HIS A 25 -0.293 13.982 -11.013 1.00 0.00 C ATOM 428 ND1 HIS A 25 -0.312 13.767 -9.740 1.00 0.00 N ATOM 429 CD2 HIS A 25 1.039 14.202 -11.297 1.00 0.00 C ATOM 430 CE1 HIS A 25 0.893 13.843 -9.267 1.00 0.00 C ATOM 431 NE2 HIS A 25 1.768 14.111 -10.205 1.00 0.00 N ATOM 0 H HIS A 25 -0.909 11.485 -10.936 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.409 13.032 -11.560 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.156 14.079 -12.983 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -2.110 14.873 -11.746 1.00 0.00 H new ATOM 0 HD2 HIS A 25 1.430 14.419 -12.280 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.145 13.702 -8.226 1.00 0.00 H new ATOM 0 HE2 HIS A 25 2.777 14.223 -10.111 1.00 0.00 H new ATOM 439 N LEU A 26 -3.105 12.519 -14.126 1.00 0.00 N ATOM 440 CA LEU A 26 -3.076 11.935 -15.507 1.00 0.00 C ATOM 441 C LEU A 26 -1.630 11.767 -16.005 1.00 0.00 C ATOM 442 O LEU A 26 -0.744 12.507 -15.622 1.00 0.00 O ATOM 443 CB LEU A 26 -3.871 12.873 -16.454 1.00 0.00 C ATOM 444 CG LEU A 26 -5.408 12.700 -16.201 1.00 0.00 C ATOM 445 CD1 LEU A 26 -6.162 14.028 -16.502 1.00 0.00 C ATOM 446 CD2 LEU A 26 -5.971 11.544 -17.081 1.00 0.00 C ATOM 0 H LEU A 26 -3.679 13.356 -14.023 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.533 10.945 -15.492 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.579 13.909 -16.284 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.635 12.642 -17.493 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.562 12.447 -15.152 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.228 13.890 -16.321 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.783 14.817 -15.853 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.004 14.308 -17.543 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.040 11.433 -16.896 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.807 11.775 -18.134 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.461 10.614 -16.830 1.00 0.00 H new ATOM 458 N GLY A 27 -1.446 10.780 -16.845 1.00 0.00 N ATOM 459 CA GLY A 27 -0.089 10.462 -17.390 1.00 0.00 C ATOM 460 C GLY A 27 0.857 9.805 -16.383 1.00 0.00 C ATOM 461 O GLY A 27 1.879 9.275 -16.774 1.00 0.00 O ATOM 0 H GLY A 27 -2.191 10.170 -17.182 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.201 9.801 -18.249 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.368 11.382 -17.753 1.00 0.00 H new ATOM 465 N ASP A 28 0.499 9.854 -15.123 1.00 0.00 N ATOM 466 CA ASP A 28 1.331 9.153 -14.088 1.00 0.00 C ATOM 467 C ASP A 28 1.310 7.648 -14.387 1.00 0.00 C ATOM 468 O ASP A 28 0.263 7.032 -14.348 1.00 0.00 O ATOM 469 CB ASP A 28 0.754 9.389 -12.669 1.00 0.00 C ATOM 470 CG ASP A 28 0.991 10.835 -12.181 1.00 0.00 C ATOM 471 OD1 ASP A 28 0.866 11.732 -13.001 1.00 0.00 O ATOM 472 OD2 ASP A 28 1.284 10.969 -11.003 1.00 0.00 O ATOM 0 H ASP A 28 -0.323 10.342 -14.767 1.00 0.00 H new ATOM 0 HA ASP A 28 2.348 9.544 -14.122 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.315 9.178 -12.673 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.214 8.691 -11.970 1.00 0.00 H new ATOM 477 N ILE A 29 2.464 7.107 -14.676 1.00 0.00 N ATOM 478 CA ILE A 29 2.583 5.625 -14.787 1.00 0.00 C ATOM 479 C ILE A 29 3.054 5.056 -13.443 1.00 0.00 C ATOM 480 O ILE A 29 3.783 5.689 -12.706 1.00 0.00 O ATOM 481 CB ILE A 29 3.586 5.319 -15.975 1.00 0.00 C ATOM 482 CG1 ILE A 29 3.003 4.194 -16.878 1.00 0.00 C ATOM 483 CG2 ILE A 29 5.041 4.937 -15.545 1.00 0.00 C ATOM 484 CD1 ILE A 29 1.906 4.768 -17.799 1.00 0.00 C ATOM 0 H ILE A 29 3.327 7.626 -14.839 1.00 0.00 H new ATOM 0 HA ILE A 29 1.629 5.148 -15.010 1.00 0.00 H new ATOM 0 HB ILE A 29 3.681 6.261 -16.515 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.797 3.751 -17.478 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.589 3.398 -16.259 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.645 4.748 -16.433 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.479 5.757 -14.976 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.014 4.040 -14.927 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.505 3.972 -18.427 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.105 5.190 -17.192 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.332 5.548 -18.430 1.00 0.00 H new ATOM 496 N LEU A 30 2.606 3.859 -13.185 1.00 0.00 N ATOM 497 CA LEU A 30 2.993 3.115 -11.949 1.00 0.00 C ATOM 498 C LEU A 30 3.637 1.803 -12.408 1.00 0.00 C ATOM 499 O LEU A 30 3.112 1.155 -13.296 1.00 0.00 O ATOM 500 CB LEU A 30 1.725 2.840 -11.116 1.00 0.00 C ATOM 501 CG LEU A 30 1.486 3.944 -10.044 1.00 0.00 C ATOM 502 CD1 LEU A 30 1.207 5.320 -10.711 1.00 0.00 C ATOM 503 CD2 LEU A 30 0.268 3.533 -9.190 1.00 0.00 C ATOM 0 H LEU A 30 1.969 3.349 -13.797 1.00 0.00 H new ATOM 0 HA LEU A 30 3.690 3.681 -11.330 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.861 2.783 -11.778 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.815 1.871 -10.626 1.00 0.00 H new ATOM 0 HG LEU A 30 2.379 4.043 -9.426 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.044 6.072 -9.939 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.062 5.608 -11.323 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.319 5.246 -11.339 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.082 4.293 -8.431 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.609 3.437 -9.830 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.469 2.578 -8.705 1.00 0.00 H new ATOM 515 N THR A 31 4.742 1.453 -11.797 1.00 0.00 N ATOM 516 CA THR A 31 5.428 0.157 -12.118 1.00 0.00 C ATOM 517 C THR A 31 5.538 -0.672 -10.833 1.00 0.00 C ATOM 518 O THR A 31 5.809 -0.131 -9.777 1.00 0.00 O ATOM 519 CB THR A 31 6.835 0.466 -12.688 1.00 0.00 C ATOM 520 OG1 THR A 31 6.615 1.417 -13.724 1.00 0.00 O ATOM 521 CG2 THR A 31 7.460 -0.760 -13.410 1.00 0.00 C ATOM 0 H THR A 31 5.205 2.014 -11.082 1.00 0.00 H new ATOM 0 HA THR A 31 4.862 -0.408 -12.858 1.00 0.00 H new ATOM 0 HB THR A 31 7.487 0.782 -11.874 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.472 1.661 -14.131 1.00 0.00 H new ATOM 0 HG21 THR A 31 8.445 -0.494 -13.792 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.555 -1.587 -12.706 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.819 -1.060 -14.239 1.00 0.00 H new ATOM 529 N VAL A 32 5.325 -1.958 -10.965 1.00 0.00 N ATOM 530 CA VAL A 32 5.366 -2.883 -9.782 1.00 0.00 C ATOM 531 C VAL A 32 6.398 -3.983 -10.064 1.00 0.00 C ATOM 532 O VAL A 32 7.080 -3.958 -11.070 1.00 0.00 O ATOM 533 CB VAL A 32 3.944 -3.543 -9.534 1.00 0.00 C ATOM 534 CG1 VAL A 32 3.587 -3.478 -8.021 1.00 0.00 C ATOM 535 CG2 VAL A 32 2.815 -2.848 -10.348 1.00 0.00 C ATOM 0 H VAL A 32 5.121 -2.415 -11.854 1.00 0.00 H new ATOM 0 HA VAL A 32 5.640 -2.318 -8.891 1.00 0.00 H new ATOM 0 HB VAL A 32 4.012 -4.578 -9.869 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.610 -3.933 -7.858 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.339 -4.018 -7.446 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.562 -2.437 -7.698 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.863 -3.338 -10.142 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.752 -1.798 -10.060 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.037 -2.920 -11.413 1.00 0.00 H new ATOM 545 N ASN A 33 6.481 -4.923 -9.158 1.00 0.00 N ATOM 546 CA ASN A 33 7.545 -5.972 -9.238 1.00 0.00 C ATOM 547 C ASN A 33 7.228 -6.994 -10.341 1.00 0.00 C ATOM 548 O ASN A 33 6.189 -6.933 -10.971 1.00 0.00 O ATOM 549 CB ASN A 33 7.651 -6.668 -7.845 1.00 0.00 C ATOM 550 CG ASN A 33 9.125 -6.637 -7.422 1.00 0.00 C ATOM 551 OD1 ASN A 33 9.825 -7.627 -7.498 1.00 0.00 O ATOM 552 ND2 ASN A 33 9.629 -5.520 -6.970 1.00 0.00 N ATOM 0 H ASN A 33 5.853 -5.010 -8.359 1.00 0.00 H new ATOM 0 HA ASN A 33 8.499 -5.512 -9.494 1.00 0.00 H new ATOM 0 HB2 ASN A 33 7.031 -6.153 -7.111 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.290 -7.695 -7.902 1.00 0.00 H new ATOM 0 HD21 ASN A 33 10.607 -5.481 -6.682 1.00 0.00 H new ATOM 0 HD22 ASN A 33 9.045 -4.686 -6.905 1.00 0.00 H new ATOM 737 N GLU A 47 -3.625 -10.134 -12.722 1.00 0.00 N ATOM 738 CA GLU A 47 -3.026 -8.779 -12.490 1.00 0.00 C ATOM 739 C GLU A 47 -3.535 -7.744 -13.501 1.00 0.00 C ATOM 740 O GLU A 47 -3.531 -6.554 -13.248 1.00 0.00 O ATOM 741 CB GLU A 47 -1.484 -8.918 -12.571 1.00 0.00 C ATOM 742 CG GLU A 47 -0.969 -9.032 -14.044 1.00 0.00 C ATOM 743 CD GLU A 47 0.380 -9.790 -14.117 1.00 0.00 C ATOM 744 OE1 GLU A 47 1.154 -9.672 -13.179 1.00 0.00 O ATOM 745 OE2 GLU A 47 0.565 -10.455 -15.125 1.00 0.00 O ATOM 0 HA GLU A 47 -3.325 -8.417 -11.506 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.019 -8.056 -12.093 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.172 -9.800 -12.011 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.712 -9.550 -14.651 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.850 -8.035 -14.467 1.00 0.00 H new ATOM 752 N ALA A 48 -3.963 -8.257 -14.621 1.00 0.00 N ATOM 753 CA ALA A 48 -4.481 -7.401 -15.732 1.00 0.00 C ATOM 754 C ALA A 48 -5.913 -6.923 -15.435 1.00 0.00 C ATOM 755 O ALA A 48 -6.457 -6.123 -16.170 1.00 0.00 O ATOM 756 CB ALA A 48 -4.448 -8.226 -17.033 1.00 0.00 C ATOM 0 H ALA A 48 -3.977 -9.257 -14.820 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.855 -6.514 -15.834 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.822 -7.620 -17.858 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.423 -8.532 -17.244 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -5.075 -9.110 -16.919 1.00 0.00 H new ATOM 762 N LYS A 49 -6.467 -7.436 -14.363 1.00 0.00 N ATOM 763 CA LYS A 49 -7.849 -7.073 -13.920 1.00 0.00 C ATOM 764 C LYS A 49 -7.752 -6.446 -12.502 1.00 0.00 C ATOM 765 O LYS A 49 -7.878 -7.147 -11.518 1.00 0.00 O ATOM 766 CB LYS A 49 -8.695 -8.377 -13.925 1.00 0.00 C ATOM 767 CG LYS A 49 -9.497 -8.550 -15.248 1.00 0.00 C ATOM 768 CD LYS A 49 -8.560 -8.632 -16.487 1.00 0.00 C ATOM 769 CE LYS A 49 -9.166 -9.562 -17.562 1.00 0.00 C ATOM 770 NZ LYS A 49 -8.961 -10.994 -17.195 1.00 0.00 N ATOM 0 H LYS A 49 -6.002 -8.113 -13.758 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.323 -6.345 -14.578 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.038 -9.235 -13.785 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.386 -8.364 -13.082 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.102 -9.455 -15.190 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.185 -7.713 -15.368 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.409 -7.636 -16.903 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.581 -9.004 -16.186 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.231 -9.357 -17.669 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.704 -9.359 -18.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.375 -11.603 -17.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.943 -11.190 -17.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.422 -11.188 -16.283 1.00 0.00 H new ATOM 784 N PRO A 50 -7.527 -5.147 -12.424 1.00 0.00 N ATOM 785 CA PRO A 50 -7.630 -4.385 -11.143 1.00 0.00 C ATOM 786 C PRO A 50 -9.051 -4.369 -10.542 1.00 0.00 C ATOM 787 O PRO A 50 -9.242 -3.876 -9.447 1.00 0.00 O ATOM 788 CB PRO A 50 -7.132 -2.965 -11.458 1.00 0.00 C ATOM 789 CG PRO A 50 -6.812 -2.913 -12.983 1.00 0.00 C ATOM 790 CD PRO A 50 -7.141 -4.294 -13.580 1.00 0.00 C ATOM 0 HA PRO A 50 -7.027 -4.869 -10.375 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -7.890 -2.226 -11.199 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -6.244 -2.730 -10.871 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.401 -2.136 -13.471 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.763 -2.667 -13.145 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.952 -4.225 -14.304 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.280 -4.710 -14.104 1.00 0.00 H new ATOM 798 N GLU A 51 -10.002 -4.904 -11.271 1.00 0.00 N ATOM 799 CA GLU A 51 -11.419 -4.944 -10.783 1.00 0.00 C ATOM 800 C GLU A 51 -11.577 -5.850 -9.548 1.00 0.00 C ATOM 801 O GLU A 51 -12.363 -5.551 -8.671 1.00 0.00 O ATOM 802 CB GLU A 51 -12.325 -5.457 -11.925 1.00 0.00 C ATOM 803 CG GLU A 51 -12.783 -4.273 -12.799 1.00 0.00 C ATOM 804 CD GLU A 51 -13.438 -4.820 -14.081 1.00 0.00 C ATOM 805 OE1 GLU A 51 -14.583 -5.232 -13.973 1.00 0.00 O ATOM 806 OE2 GLU A 51 -12.763 -4.797 -15.097 1.00 0.00 O ATOM 0 H GLU A 51 -9.856 -5.318 -12.192 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.708 -3.936 -10.487 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.784 -6.182 -12.533 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.192 -5.972 -11.511 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.491 -3.652 -12.250 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.932 -3.640 -13.051 1.00 0.00 H new ATOM 813 N GLU A 52 -10.831 -6.927 -9.519 1.00 0.00 N ATOM 814 CA GLU A 52 -10.943 -7.914 -8.392 1.00 0.00 C ATOM 815 C GLU A 52 -9.991 -7.539 -7.253 1.00 0.00 C ATOM 816 O GLU A 52 -10.247 -7.844 -6.104 1.00 0.00 O ATOM 817 CB GLU A 52 -10.604 -9.325 -8.918 1.00 0.00 C ATOM 818 CG GLU A 52 -9.331 -9.277 -9.805 1.00 0.00 C ATOM 819 CD GLU A 52 -8.640 -10.654 -9.875 1.00 0.00 C ATOM 820 OE1 GLU A 52 -9.323 -11.601 -10.236 1.00 0.00 O ATOM 821 OE2 GLU A 52 -7.459 -10.681 -9.564 1.00 0.00 O ATOM 0 H GLU A 52 -10.143 -7.169 -10.232 1.00 0.00 H new ATOM 0 HA GLU A 52 -11.962 -7.900 -8.006 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -10.447 -10.005 -8.081 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -11.442 -9.717 -9.494 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.599 -8.951 -10.810 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.635 -8.539 -9.405 1.00 0.00 H new ATOM 828 N ILE A 53 -8.918 -6.886 -7.620 1.00 0.00 N ATOM 829 CA ILE A 53 -7.896 -6.462 -6.621 1.00 0.00 C ATOM 830 C ILE A 53 -8.392 -5.185 -5.937 1.00 0.00 C ATOM 831 O ILE A 53 -8.969 -4.328 -6.578 1.00 0.00 O ATOM 832 CB ILE A 53 -6.568 -6.219 -7.369 1.00 0.00 C ATOM 833 CG1 ILE A 53 -6.062 -7.576 -7.957 1.00 0.00 C ATOM 834 CG2 ILE A 53 -5.512 -5.647 -6.389 1.00 0.00 C ATOM 835 CD1 ILE A 53 -5.187 -7.339 -9.208 1.00 0.00 C ATOM 0 H ILE A 53 -8.706 -6.626 -8.583 1.00 0.00 H new ATOM 0 HA ILE A 53 -7.735 -7.224 -5.858 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.726 -5.504 -8.176 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.488 -8.113 -7.202 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -6.913 -8.205 -8.217 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.576 -5.477 -6.921 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.871 -4.704 -5.977 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.345 -6.357 -5.579 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.846 -8.297 -9.600 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.772 -6.823 -9.969 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.324 -6.730 -8.939 1.00 0.00 H new ATOM 847 N GLY A 54 -8.145 -5.102 -4.654 1.00 0.00 N ATOM 848 CA GLY A 54 -8.505 -3.868 -3.901 1.00 0.00 C ATOM 849 C GLY A 54 -7.331 -2.906 -3.941 1.00 0.00 C ATOM 850 O GLY A 54 -7.261 -2.018 -4.770 1.00 0.00 O ATOM 0 H GLY A 54 -7.709 -5.837 -4.097 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.388 -3.403 -4.340 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.754 -4.116 -2.869 1.00 0.00 H new ATOM 854 N TRP A 55 -6.446 -3.144 -3.017 1.00 0.00 N ATOM 855 CA TRP A 55 -5.251 -2.270 -2.854 1.00 0.00 C ATOM 856 C TRP A 55 -4.084 -2.812 -3.683 1.00 0.00 C ATOM 857 O TRP A 55 -3.700 -3.956 -3.549 1.00 0.00 O ATOM 858 CB TRP A 55 -4.912 -2.228 -1.356 1.00 0.00 C ATOM 859 CG TRP A 55 -5.863 -1.206 -0.722 1.00 0.00 C ATOM 860 CD1 TRP A 55 -6.954 -1.488 0.040 1.00 0.00 C ATOM 861 CD2 TRP A 55 -5.754 0.134 -0.847 1.00 0.00 C ATOM 862 NE1 TRP A 55 -7.432 -0.295 0.320 1.00 0.00 N ATOM 863 CE2 TRP A 55 -6.781 0.750 -0.166 1.00 0.00 C ATOM 864 CE3 TRP A 55 -4.817 0.891 -1.518 1.00 0.00 C ATOM 865 CZ2 TRP A 55 -6.872 2.128 -0.159 1.00 0.00 C ATOM 866 CZ3 TRP A 55 -4.910 2.262 -1.509 1.00 0.00 C ATOM 867 CH2 TRP A 55 -5.936 2.881 -0.832 1.00 0.00 C ATOM 0 H TRP A 55 -6.500 -3.919 -2.357 1.00 0.00 H new ATOM 0 HA TRP A 55 -5.451 -1.260 -3.212 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -5.040 -3.211 -0.902 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -3.873 -1.938 -1.202 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -7.334 -2.453 0.341 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -8.271 -0.180 0.889 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -4.011 0.407 -2.050 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -7.676 2.614 0.373 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -4.176 2.855 -2.034 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -6.007 3.959 -0.829 1.00 0.00 H new ATOM 878 N LEU A 56 -3.560 -1.955 -4.522 1.00 0.00 N ATOM 879 CA LEU A 56 -2.265 -2.234 -5.212 1.00 0.00 C ATOM 880 C LEU A 56 -1.180 -1.418 -4.502 1.00 0.00 C ATOM 881 O LEU A 56 -1.348 -0.238 -4.270 1.00 0.00 O ATOM 882 CB LEU A 56 -2.378 -1.809 -6.692 1.00 0.00 C ATOM 883 CG LEU A 56 -3.549 -2.572 -7.409 1.00 0.00 C ATOM 884 CD1 LEU A 56 -4.832 -1.700 -7.429 1.00 0.00 C ATOM 885 CD2 LEU A 56 -3.160 -2.965 -8.861 1.00 0.00 C ATOM 0 H LEU A 56 -3.983 -1.058 -4.762 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.018 -3.295 -5.177 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.548 -0.734 -6.753 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.438 -2.013 -7.205 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.743 -3.485 -6.845 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.634 -2.243 -7.929 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.132 -1.471 -6.407 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.633 -0.772 -7.965 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.991 -3.491 -9.330 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.931 -2.065 -9.432 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.285 -3.614 -8.840 1.00 0.00 H new ATOM 897 N ASN A 57 -0.103 -2.084 -4.180 1.00 0.00 N ATOM 898 CA ASN A 57 1.138 -1.383 -3.723 1.00 0.00 C ATOM 899 C ASN A 57 2.077 -1.263 -4.931 1.00 0.00 C ATOM 900 O ASN A 57 2.429 -2.269 -5.512 1.00 0.00 O ATOM 901 CB ASN A 57 1.799 -2.221 -2.611 1.00 0.00 C ATOM 902 CG ASN A 57 2.037 -1.389 -1.343 1.00 0.00 C ATOM 903 OD1 ASN A 57 1.716 -1.802 -0.245 1.00 0.00 O ATOM 904 ND2 ASN A 57 2.596 -0.212 -1.441 1.00 0.00 N ATOM 0 H ASN A 57 -0.027 -3.101 -4.214 1.00 0.00 H new ATOM 0 HA ASN A 57 0.913 -0.392 -3.329 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.165 -3.075 -2.373 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.748 -2.619 -2.970 1.00 0.00 H new ATOM 0 HD21 ASN A 57 2.758 0.347 -0.603 1.00 0.00 H new ATOM 0 HD22 ASN A 57 2.871 0.148 -2.355 1.00 0.00 H new ATOM 911 N GLY A 58 2.460 -0.059 -5.278 1.00 0.00 N ATOM 912 CA GLY A 58 3.545 0.112 -6.299 1.00 0.00 C ATOM 913 C GLY A 58 4.337 1.403 -6.082 1.00 0.00 C ATOM 914 O GLY A 58 4.125 2.112 -5.118 1.00 0.00 O ATOM 0 H GLY A 58 2.073 0.807 -4.903 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.222 -0.741 -6.255 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.106 0.119 -7.297 1.00 0.00 H new ATOM 918 N TYR A 59 5.237 1.657 -7.000 1.00 0.00 N ATOM 919 CA TYR A 59 6.092 2.881 -6.933 1.00 0.00 C ATOM 920 C TYR A 59 5.877 3.748 -8.186 1.00 0.00 C ATOM 921 O TYR A 59 5.872 3.244 -9.293 1.00 0.00 O ATOM 922 CB TYR A 59 7.592 2.461 -6.820 1.00 0.00 C ATOM 923 CG TYR A 59 7.840 0.976 -7.168 1.00 0.00 C ATOM 924 CD1 TYR A 59 7.468 -0.037 -6.299 1.00 0.00 C ATOM 925 CD2 TYR A 59 8.448 0.637 -8.361 1.00 0.00 C ATOM 926 CE1 TYR A 59 7.702 -1.361 -6.621 1.00 0.00 C ATOM 927 CE2 TYR A 59 8.681 -0.685 -8.680 1.00 0.00 C ATOM 928 CZ TYR A 59 8.311 -1.694 -7.815 1.00 0.00 C ATOM 929 OH TYR A 59 8.552 -3.012 -8.146 1.00 0.00 O ATOM 0 H TYR A 59 5.417 1.058 -7.805 1.00 0.00 H new ATOM 0 HA TYR A 59 5.815 3.466 -6.056 1.00 0.00 H new ATOM 0 HB2 TYR A 59 8.188 3.087 -7.484 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.940 2.652 -5.805 1.00 0.00 H new ATOM 0 HD1 TYR A 59 6.991 0.210 -5.362 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.744 1.414 -9.050 1.00 0.00 H new ATOM 0 HE1 TYR A 59 7.407 -2.140 -5.934 1.00 0.00 H new ATOM 0 HE2 TYR A 59 9.158 -0.933 -9.617 1.00 0.00 H new ATOM 0 HH TYR A 59 8.987 -3.055 -9.023 1.00 0.00 H new ATOM 939 N ASN A 60 5.705 5.028 -7.951 1.00 0.00 N ATOM 940 CA ASN A 60 5.591 6.026 -9.063 1.00 0.00 C ATOM 941 C ASN A 60 6.952 6.720 -9.260 1.00 0.00 C ATOM 942 O ASN A 60 7.195 7.802 -8.760 1.00 0.00 O ATOM 943 CB ASN A 60 4.480 7.042 -8.676 1.00 0.00 C ATOM 944 CG ASN A 60 4.124 7.973 -9.849 1.00 0.00 C ATOM 945 OD1 ASN A 60 4.388 7.695 -11.002 1.00 0.00 O ATOM 946 ND2 ASN A 60 3.513 9.097 -9.588 1.00 0.00 N ATOM 0 H ASN A 60 5.638 5.430 -7.016 1.00 0.00 H new ATOM 0 HA ASN A 60 5.324 5.548 -10.005 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.589 6.502 -8.357 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.813 7.638 -7.826 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.263 9.730 -10.348 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.286 9.342 -8.624 1.00 0.00 H new ATOM 953 N GLU A 61 7.796 6.042 -10.001 1.00 0.00 N ATOM 954 CA GLU A 61 9.114 6.613 -10.438 1.00 0.00 C ATOM 955 C GLU A 61 8.971 8.033 -11.022 1.00 0.00 C ATOM 956 O GLU A 61 9.890 8.825 -10.946 1.00 0.00 O ATOM 957 CB GLU A 61 9.743 5.685 -11.505 1.00 0.00 C ATOM 958 CG GLU A 61 9.797 4.229 -10.992 1.00 0.00 C ATOM 959 CD GLU A 61 10.668 3.374 -11.938 1.00 0.00 C ATOM 960 OE1 GLU A 61 10.187 3.098 -13.025 1.00 0.00 O ATOM 961 OE2 GLU A 61 11.768 3.043 -11.521 1.00 0.00 O ATOM 0 H GLU A 61 7.623 5.092 -10.330 1.00 0.00 H new ATOM 0 HA GLU A 61 9.753 6.680 -9.558 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.160 5.731 -12.425 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.749 6.029 -11.747 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.208 4.204 -9.983 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.790 3.815 -10.937 1.00 0.00 H new ATOM 968 N THR A 62 7.816 8.300 -11.586 1.00 0.00 N ATOM 969 CA THR A 62 7.523 9.645 -12.180 1.00 0.00 C ATOM 970 C THR A 62 7.723 10.762 -11.144 1.00 0.00 C ATOM 971 O THR A 62 8.385 11.743 -11.415 1.00 0.00 O ATOM 972 CB THR A 62 6.060 9.677 -12.693 1.00 0.00 C ATOM 973 OG1 THR A 62 5.881 8.465 -13.418 1.00 0.00 O ATOM 974 CG2 THR A 62 5.846 10.799 -13.739 1.00 0.00 C ATOM 0 H THR A 62 7.050 7.630 -11.661 1.00 0.00 H new ATOM 0 HA THR A 62 8.214 9.812 -13.007 1.00 0.00 H new ATOM 0 HB THR A 62 5.387 9.823 -11.848 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.340 7.844 -12.888 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.809 10.790 -14.075 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.073 11.765 -13.288 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.505 10.633 -14.591 1.00 0.00 H new ATOM 982 N THR A 63 7.139 10.562 -9.990 1.00 0.00 N ATOM 983 CA THR A 63 7.269 11.545 -8.870 1.00 0.00 C ATOM 984 C THR A 63 8.407 11.127 -7.922 1.00 0.00 C ATOM 985 O THR A 63 8.670 11.802 -6.944 1.00 0.00 O ATOM 986 CB THR A 63 5.929 11.611 -8.093 1.00 0.00 C ATOM 987 OG1 THR A 63 5.523 10.261 -7.896 1.00 0.00 O ATOM 988 CG2 THR A 63 4.800 12.267 -8.938 1.00 0.00 C ATOM 0 H THR A 63 6.568 9.745 -9.772 1.00 0.00 H new ATOM 0 HA THR A 63 7.504 12.528 -9.279 1.00 0.00 H new ATOM 0 HB THR A 63 6.077 12.185 -7.179 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.675 10.243 -7.404 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.879 12.293 -8.356 1.00 0.00 H new ATOM 0 HG22 THR A 63 5.089 13.283 -9.205 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.640 11.685 -9.845 1.00 0.00 H new ATOM 996 N GLY A 64 9.047 10.025 -8.240 1.00 0.00 N ATOM 997 CA GLY A 64 10.158 9.511 -7.383 1.00 0.00 C ATOM 998 C GLY A 64 9.670 9.186 -5.969 1.00 0.00 C ATOM 999 O GLY A 64 10.305 9.544 -4.997 1.00 0.00 O ATOM 0 H GLY A 64 8.844 9.458 -9.063 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.585 8.616 -7.836 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.954 10.254 -7.333 1.00 0.00 H new ATOM 1003 N GLU A 65 8.548 8.515 -5.912 1.00 0.00 N ATOM 1004 CA GLU A 65 7.903 8.198 -4.600 1.00 0.00 C ATOM 1005 C GLU A 65 7.273 6.799 -4.651 1.00 0.00 C ATOM 1006 O GLU A 65 7.254 6.157 -5.684 1.00 0.00 O ATOM 1007 CB GLU A 65 6.820 9.278 -4.309 1.00 0.00 C ATOM 1008 CG GLU A 65 7.075 9.936 -2.932 1.00 0.00 C ATOM 1009 CD GLU A 65 8.377 10.765 -2.976 1.00 0.00 C ATOM 1010 OE1 GLU A 65 8.361 11.768 -3.672 1.00 0.00 O ATOM 1011 OE2 GLU A 65 9.315 10.349 -2.314 1.00 0.00 O ATOM 0 H GLU A 65 8.044 8.169 -6.729 1.00 0.00 H new ATOM 0 HA GLU A 65 8.647 8.204 -3.803 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.834 10.037 -5.091 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.830 8.823 -4.325 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.235 10.577 -2.665 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.148 9.169 -2.161 1.00 0.00 H new ATOM 1018 N ARG A 66 6.781 6.377 -3.514 1.00 0.00 N ATOM 1019 CA ARG A 66 6.225 4.998 -3.377 1.00 0.00 C ATOM 1020 C ARG A 66 5.033 5.036 -2.411 1.00 0.00 C ATOM 1021 O ARG A 66 5.033 5.784 -1.453 1.00 0.00 O ATOM 1022 CB ARG A 66 7.337 4.067 -2.837 1.00 0.00 C ATOM 1023 CG ARG A 66 6.736 2.677 -2.514 1.00 0.00 C ATOM 1024 CD ARG A 66 7.819 1.587 -2.526 1.00 0.00 C ATOM 1025 NE ARG A 66 7.165 0.307 -2.114 1.00 0.00 N ATOM 1026 CZ ARG A 66 7.472 -0.250 -0.973 1.00 0.00 C ATOM 1027 NH1 ARG A 66 8.484 -1.070 -0.922 1.00 0.00 N ATOM 1028 NH2 ARG A 66 6.750 0.023 0.078 1.00 0.00 N ATOM 0 H ARG A 66 6.741 6.938 -2.663 1.00 0.00 H new ATOM 0 HA ARG A 66 5.883 4.621 -4.341 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.133 3.968 -3.575 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.784 4.499 -1.942 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.255 2.704 -1.536 1.00 0.00 H new ATOM 0 HG3 ARG A 66 5.963 2.434 -3.243 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.258 1.492 -3.519 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.629 1.842 -1.843 1.00 0.00 H new ATOM 0 HE ARG A 66 6.477 -0.132 -2.726 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.023 -1.268 -1.765 1.00 0.00 H new ATOM 0 HH12 ARG A 66 8.737 -1.513 -0.039 1.00 0.00 H new ATOM 0 HH21 ARG A 66 5.959 0.663 0.001 1.00 0.00 H new ATOM 0 HH22 ARG A 66 6.976 -0.403 0.977 1.00 0.00 H new ATOM 1042 N GLY A 67 4.052 4.221 -2.709 1.00 0.00 N ATOM 1043 CA GLY A 67 2.870 4.104 -1.804 1.00 0.00 C ATOM 1044 C GLY A 67 1.863 3.068 -2.316 1.00 0.00 C ATOM 1045 O GLY A 67 2.189 2.182 -3.079 1.00 0.00 O ATOM 0 H GLY A 67 4.020 3.632 -3.541 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.203 3.824 -0.805 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.381 5.074 -1.717 1.00 0.00 H new ATOM 1049 N ASP A 68 0.651 3.236 -1.850 1.00 0.00 N ATOM 1050 CA ASP A 68 -0.494 2.379 -2.287 1.00 0.00 C ATOM 1051 C ASP A 68 -1.457 3.186 -3.166 1.00 0.00 C ATOM 1052 O ASP A 68 -1.351 4.393 -3.265 1.00 0.00 O ATOM 1053 CB ASP A 68 -1.208 1.876 -1.024 1.00 0.00 C ATOM 1054 CG ASP A 68 -0.571 0.547 -0.585 1.00 0.00 C ATOM 1055 OD1 ASP A 68 -0.942 -0.453 -1.178 1.00 0.00 O ATOM 1056 OD2 ASP A 68 0.251 0.608 0.316 1.00 0.00 O ATOM 0 H ASP A 68 0.401 3.951 -1.167 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.136 1.536 -2.878 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.127 2.614 -0.226 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.271 1.737 -1.222 1.00 0.00 H new ATOM 1061 N PHE A 69 -2.366 2.474 -3.782 1.00 0.00 N ATOM 1062 CA PHE A 69 -3.503 3.112 -4.518 1.00 0.00 C ATOM 1063 C PHE A 69 -4.588 2.048 -4.781 1.00 0.00 C ATOM 1064 O PHE A 69 -4.251 0.905 -5.016 1.00 0.00 O ATOM 1065 CB PHE A 69 -2.992 3.688 -5.860 1.00 0.00 C ATOM 1066 CG PHE A 69 -2.353 2.584 -6.724 1.00 0.00 C ATOM 1067 CD1 PHE A 69 -1.103 2.073 -6.418 1.00 0.00 C ATOM 1068 CD2 PHE A 69 -3.028 2.092 -7.824 1.00 0.00 C ATOM 1069 CE1 PHE A 69 -0.540 1.090 -7.201 1.00 0.00 C ATOM 1070 CE2 PHE A 69 -2.465 1.109 -8.608 1.00 0.00 C ATOM 1071 CZ PHE A 69 -1.220 0.607 -8.297 1.00 0.00 C ATOM 0 H PHE A 69 -2.369 1.454 -3.807 1.00 0.00 H new ATOM 0 HA PHE A 69 -3.924 3.922 -3.923 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.819 4.147 -6.402 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -2.262 4.474 -5.668 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.566 2.448 -5.559 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.005 2.481 -8.071 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.436 0.697 -6.955 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -3.000 0.732 -9.467 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.778 -0.164 -8.911 1.00 0.00 H new ATOM 1081 N PRO A 70 -5.849 2.427 -4.739 1.00 0.00 N ATOM 1082 CA PRO A 70 -6.960 1.507 -5.099 1.00 0.00 C ATOM 1083 C PRO A 70 -6.915 1.096 -6.585 1.00 0.00 C ATOM 1084 O PRO A 70 -6.297 1.763 -7.392 1.00 0.00 O ATOM 1085 CB PRO A 70 -8.255 2.253 -4.756 1.00 0.00 C ATOM 1086 CG PRO A 70 -7.854 3.678 -4.281 1.00 0.00 C ATOM 1087 CD PRO A 70 -6.318 3.780 -4.337 1.00 0.00 C ATOM 0 HA PRO A 70 -6.884 0.572 -4.544 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.909 2.308 -5.626 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -8.806 1.728 -3.975 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -8.310 4.435 -4.918 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -8.212 3.857 -3.267 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -6.000 4.536 -5.055 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.907 4.067 -3.369 1.00 0.00 H new ATOM 1095 N GLY A 71 -7.584 0.012 -6.889 1.00 0.00 N ATOM 1096 CA GLY A 71 -7.647 -0.494 -8.297 1.00 0.00 C ATOM 1097 C GLY A 71 -8.947 -0.032 -8.964 1.00 0.00 C ATOM 1098 O GLY A 71 -9.700 -0.842 -9.467 1.00 0.00 O ATOM 0 H GLY A 71 -8.097 -0.553 -6.212 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.789 -0.129 -8.862 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.593 -1.583 -8.303 1.00 0.00 H new ATOM 1102 N THR A 72 -9.166 1.264 -8.941 1.00 0.00 N ATOM 1103 CA THR A 72 -10.387 1.847 -9.596 1.00 0.00 C ATOM 1104 C THR A 72 -10.115 3.130 -10.393 1.00 0.00 C ATOM 1105 O THR A 72 -10.792 3.411 -11.363 1.00 0.00 O ATOM 1106 CB THR A 72 -11.440 2.110 -8.488 1.00 0.00 C ATOM 1107 OG1 THR A 72 -12.632 2.479 -9.170 1.00 0.00 O ATOM 1108 CG2 THR A 72 -11.090 3.330 -7.594 1.00 0.00 C ATOM 0 H THR A 72 -8.551 1.945 -8.496 1.00 0.00 H new ATOM 0 HA THR A 72 -10.749 1.128 -10.331 1.00 0.00 H new ATOM 0 HB THR A 72 -11.507 1.221 -7.861 1.00 0.00 H new ATOM 0 HG1 THR A 72 -13.341 2.658 -8.517 1.00 0.00 H new ATOM 0 HG21 THR A 72 -11.865 3.462 -6.839 1.00 0.00 H new ATOM 0 HG22 THR A 72 -10.131 3.159 -7.105 1.00 0.00 H new ATOM 0 HG23 THR A 72 -11.028 4.227 -8.210 1.00 0.00 H new ATOM 1116 N TYR A 73 -9.133 3.866 -9.956 1.00 0.00 N ATOM 1117 CA TYR A 73 -8.742 5.136 -10.655 1.00 0.00 C ATOM 1118 C TYR A 73 -7.657 4.884 -11.706 1.00 0.00 C ATOM 1119 O TYR A 73 -7.290 5.771 -12.450 1.00 0.00 O ATOM 1120 CB TYR A 73 -8.222 6.143 -9.621 1.00 0.00 C ATOM 1121 CG TYR A 73 -9.308 6.410 -8.570 1.00 0.00 C ATOM 1122 CD1 TYR A 73 -10.540 6.915 -8.939 1.00 0.00 C ATOM 1123 CD2 TYR A 73 -9.062 6.151 -7.236 1.00 0.00 C ATOM 1124 CE1 TYR A 73 -11.511 7.154 -7.993 1.00 0.00 C ATOM 1125 CE2 TYR A 73 -10.034 6.391 -6.289 1.00 0.00 C ATOM 1126 CZ TYR A 73 -11.263 6.894 -6.661 1.00 0.00 C ATOM 1127 OH TYR A 73 -12.234 7.135 -5.711 1.00 0.00 O ATOM 0 H TYR A 73 -8.573 3.644 -9.133 1.00 0.00 H new ATOM 0 HA TYR A 73 -9.622 5.532 -11.162 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -7.324 5.755 -9.140 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -7.942 7.074 -10.114 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -10.743 7.124 -9.979 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -8.103 5.758 -6.933 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -12.471 7.547 -8.295 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -9.832 6.184 -5.249 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.891 6.895 -4.825 1.00 0.00 H new ATOM 1137 N VAL A 74 -7.186 3.666 -11.720 1.00 0.00 N ATOM 1138 CA VAL A 74 -6.086 3.255 -12.642 1.00 0.00 C ATOM 1139 C VAL A 74 -6.628 2.196 -13.608 1.00 0.00 C ATOM 1140 O VAL A 74 -7.705 1.661 -13.413 1.00 0.00 O ATOM 1141 CB VAL A 74 -4.914 2.669 -11.812 1.00 0.00 C ATOM 1142 CG1 VAL A 74 -4.156 3.811 -11.071 1.00 0.00 C ATOM 1143 CG2 VAL A 74 -5.447 1.608 -10.796 1.00 0.00 C ATOM 0 H VAL A 74 -7.527 2.919 -11.115 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.724 4.114 -13.207 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.216 2.175 -12.488 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.336 3.387 -10.492 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.759 4.517 -11.800 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.843 4.329 -10.402 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.614 1.205 -10.220 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.161 2.078 -10.120 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.938 0.800 -11.338 1.00 0.00 H new ATOM 1153 N GLU A 75 -5.850 1.934 -14.623 1.00 0.00 N ATOM 1154 CA GLU A 75 -6.180 0.851 -15.594 1.00 0.00 C ATOM 1155 C GLU A 75 -4.869 0.135 -15.910 1.00 0.00 C ATOM 1156 O GLU A 75 -3.903 0.775 -16.278 1.00 0.00 O ATOM 1157 CB GLU A 75 -6.795 1.518 -16.842 1.00 0.00 C ATOM 1158 CG GLU A 75 -7.472 0.502 -17.786 1.00 0.00 C ATOM 1159 CD GLU A 75 -8.514 -0.345 -17.030 1.00 0.00 C ATOM 1160 OE1 GLU A 75 -9.491 0.252 -16.607 1.00 0.00 O ATOM 1161 OE2 GLU A 75 -8.273 -1.537 -16.918 1.00 0.00 O ATOM 0 H GLU A 75 -4.984 2.434 -14.824 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.897 0.125 -15.210 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.528 2.261 -16.528 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.015 2.050 -17.386 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.955 1.030 -18.608 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.717 -0.150 -18.225 1.00 0.00 H new ATOM 1168 N TYR A 76 -4.863 -1.166 -15.757 1.00 0.00 N ATOM 1169 CA TYR A 76 -3.732 -1.978 -16.304 1.00 0.00 C ATOM 1170 C TYR A 76 -3.488 -1.590 -17.777 1.00 0.00 C ATOM 1171 O TYR A 76 -4.420 -1.309 -18.504 1.00 0.00 O ATOM 1172 CB TYR A 76 -4.097 -3.479 -16.185 1.00 0.00 C ATOM 1173 CG TYR A 76 -3.225 -4.291 -17.154 1.00 0.00 C ATOM 1174 CD1 TYR A 76 -1.878 -4.468 -16.905 1.00 0.00 C ATOM 1175 CD2 TYR A 76 -3.777 -4.837 -18.294 1.00 0.00 C ATOM 1176 CE1 TYR A 76 -1.097 -5.179 -17.786 1.00 0.00 C ATOM 1177 CE2 TYR A 76 -2.995 -5.548 -19.175 1.00 0.00 C ATOM 1178 CZ TYR A 76 -1.652 -5.723 -18.926 1.00 0.00 C ATOM 1179 OH TYR A 76 -0.872 -6.429 -19.816 1.00 0.00 O ATOM 0 H TYR A 76 -5.589 -1.699 -15.279 1.00 0.00 H new ATOM 0 HA TYR A 76 -2.818 -1.787 -15.742 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -3.942 -3.823 -15.162 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -5.152 -3.628 -16.415 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.436 -4.046 -16.014 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -4.830 -4.706 -18.496 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.044 -5.312 -17.584 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -3.436 -5.971 -20.066 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.427 -6.741 -20.561 1.00 0.00 H new ATOM 1189 N ILE A 77 -2.236 -1.596 -18.160 1.00 0.00 N ATOM 1190 CA ILE A 77 -1.867 -1.334 -19.590 1.00 0.00 C ATOM 1191 C ILE A 77 -0.999 -2.463 -20.151 1.00 0.00 C ATOM 1192 O ILE A 77 -1.341 -3.038 -21.168 1.00 0.00 O ATOM 1193 CB ILE A 77 -1.101 0.034 -19.697 1.00 0.00 C ATOM 1194 CG1 ILE A 77 -0.390 0.422 -18.365 1.00 0.00 C ATOM 1195 CG2 ILE A 77 -2.109 1.143 -20.041 1.00 0.00 C ATOM 1196 CD1 ILE A 77 0.806 1.351 -18.648 1.00 0.00 C ATOM 0 H ILE A 77 -1.445 -1.772 -17.540 1.00 0.00 H new ATOM 0 HA ILE A 77 -2.784 -1.287 -20.178 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.341 -0.076 -20.470 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.096 0.919 -17.700 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.048 -0.477 -17.852 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.588 2.097 -20.118 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.590 0.915 -20.992 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.864 1.204 -19.257 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.293 1.614 -17.709 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.518 0.840 -19.295 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.454 2.258 -19.140 1.00 0.00 H new ATOM 1208 N GLY A 78 0.092 -2.751 -19.488 1.00 0.00 N ATOM 1209 CA GLY A 78 1.140 -3.607 -20.126 1.00 0.00 C ATOM 1210 C GLY A 78 2.044 -4.214 -19.066 1.00 0.00 C ATOM 1211 O GLY A 78 2.219 -3.652 -18.002 1.00 0.00 O ATOM 0 H GLY A 78 0.302 -2.434 -18.541 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.668 -4.399 -20.707 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.732 -3.011 -20.821 1.00 0.00 H new ATOM 1215 N ARG A 79 2.595 -5.350 -19.402 1.00 0.00 N ATOM 1216 CA ARG A 79 3.494 -6.073 -18.449 1.00 0.00 C ATOM 1217 C ARG A 79 4.659 -6.756 -19.174 1.00 0.00 C ATOM 1218 O ARG A 79 4.534 -7.165 -20.312 1.00 0.00 O ATOM 1219 CB ARG A 79 2.635 -7.118 -17.649 1.00 0.00 C ATOM 1220 CG ARG A 79 2.481 -8.500 -18.354 1.00 0.00 C ATOM 1221 CD ARG A 79 1.604 -8.383 -19.612 1.00 0.00 C ATOM 1222 NE ARG A 79 1.625 -9.694 -20.327 1.00 0.00 N ATOM 1223 CZ ARG A 79 0.712 -9.956 -21.224 1.00 0.00 C ATOM 1224 NH1 ARG A 79 0.851 -9.475 -22.428 1.00 0.00 N ATOM 1225 NH2 ARG A 79 -0.308 -10.694 -20.888 1.00 0.00 N ATOM 0 H ARG A 79 2.461 -5.813 -20.301 1.00 0.00 H new ATOM 0 HA ARG A 79 3.938 -5.354 -17.760 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.091 -7.272 -16.671 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.644 -6.699 -17.477 1.00 0.00 H new ATOM 0 HG2 ARG A 79 3.464 -8.885 -18.626 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.038 -9.217 -17.663 1.00 0.00 H new ATOM 0 HD2 ARG A 79 0.583 -8.117 -19.339 1.00 0.00 H new ATOM 0 HD3 ARG A 79 1.977 -7.591 -20.262 1.00 0.00 H new ATOM 0 HE ARG A 79 2.348 -10.381 -20.116 1.00 0.00 H new ATOM 0 HH11 ARG A 79 1.664 -8.903 -22.658 1.00 0.00 H new ATOM 0 HH12 ARG A 79 0.147 -9.670 -23.140 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -0.384 -11.057 -19.938 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -1.030 -10.909 -21.575 1.00 0.00 H new