USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 577 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 38 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 130:sc= -1.26 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -2.23! C(o=-2.2!,f=-4.8!) USER MOD Single : A 22 GLN : amide:sc=-0.00573 K(o=-0.0057,f=-0.89) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -165:sc=-0.000481 (180deg=-0.229) USER MOD Single : A 29 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0114) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.812 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -2.63! C(o=-2.6!,f=-8.9!) USER MOD Single : A 62 SER OG : rot 111:sc= 0.669 USER MOD Single : A 67 GLN : amide:sc= -0.0923 X(o=-0.092,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.711 X(o=-0.71,f=-0.61) USER MOD ----------------------------------------------------------------- ATOM 48 N GLU A 4 -4.684 -2.138 -3.188 1.00 0.00 N ATOM 49 CA GLU A 4 -5.754 -2.101 -2.205 1.00 0.00 C ATOM 50 C GLU A 4 -5.637 -0.845 -1.340 1.00 0.00 C ATOM 51 O GLU A 4 -6.623 -0.143 -1.122 1.00 0.00 O ATOM 52 CB GLU A 4 -5.748 -3.364 -1.341 1.00 0.00 C ATOM 53 CG GLU A 4 -7.105 -4.068 -1.390 1.00 0.00 C ATOM 54 CD GLU A 4 -8.081 -3.446 -0.389 1.00 0.00 C ATOM 55 OE1 GLU A 4 -8.200 -2.202 -0.410 1.00 0.00 O ATOM 56 OE2 GLU A 4 -8.687 -4.229 0.374 1.00 0.00 O ATOM 0 HA GLU A 4 -6.706 -2.066 -2.734 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.969 -4.043 -1.689 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.507 -3.103 -0.311 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.518 -4.000 -2.396 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.977 -5.128 -1.169 1.00 0.00 H new ATOM 63 N GLU A 5 -4.423 -0.599 -0.870 1.00 0.00 N ATOM 64 CA GLU A 5 -4.164 0.560 -0.033 1.00 0.00 C ATOM 65 C GLU A 5 -4.319 1.847 -0.847 1.00 0.00 C ATOM 66 O GLU A 5 -4.702 2.884 -0.308 1.00 0.00 O ATOM 67 CB GLU A 5 -2.776 0.478 0.604 1.00 0.00 C ATOM 68 CG GLU A 5 -2.868 0.033 2.065 1.00 0.00 C ATOM 69 CD GLU A 5 -1.945 0.870 2.953 1.00 0.00 C ATOM 70 OE1 GLU A 5 -2.388 1.967 3.356 1.00 0.00 O ATOM 71 OE2 GLU A 5 -0.818 0.394 3.208 1.00 0.00 O ATOM 0 H GLU A 5 -3.607 -1.183 -1.053 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.897 0.572 0.774 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -2.156 -0.223 0.045 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -2.288 1.451 0.547 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -3.897 0.127 2.413 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -2.599 -1.020 2.146 1.00 0.00 H new ATOM 78 N LEU A 6 -4.014 1.737 -2.131 1.00 0.00 N ATOM 79 CA LEU A 6 -4.115 2.879 -3.025 1.00 0.00 C ATOM 80 C LEU A 6 -5.573 3.336 -3.098 1.00 0.00 C ATOM 81 O LEU A 6 -5.851 4.534 -3.112 1.00 0.00 O ATOM 82 CB LEU A 6 -3.504 2.548 -4.388 1.00 0.00 C ATOM 83 CG LEU A 6 -2.011 2.841 -4.544 1.00 0.00 C ATOM 84 CD1 LEU A 6 -1.508 2.407 -5.922 1.00 0.00 C ATOM 85 CD2 LEU A 6 -1.709 4.314 -4.261 1.00 0.00 C ATOM 0 H LEU A 6 -3.697 0.875 -2.574 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.537 3.718 -2.639 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.669 1.490 -4.590 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.045 3.107 -5.152 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.468 2.253 -3.804 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.444 2.627 -6.007 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.669 1.336 -6.047 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.053 2.949 -6.695 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.641 4.496 -4.379 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.263 4.940 -4.961 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.008 4.557 -3.241 1.00 0.00 H new ATOM 97 N LYS A 7 -6.465 2.358 -3.143 1.00 0.00 N ATOM 98 CA LYS A 7 -7.888 2.645 -3.214 1.00 0.00 C ATOM 99 C LYS A 7 -8.317 3.390 -1.949 1.00 0.00 C ATOM 100 O LYS A 7 -8.858 4.492 -2.026 1.00 0.00 O ATOM 101 CB LYS A 7 -8.681 1.363 -3.473 1.00 0.00 C ATOM 102 CG LYS A 7 -9.950 1.656 -4.275 1.00 0.00 C ATOM 103 CD LYS A 7 -9.704 1.477 -5.775 1.00 0.00 C ATOM 104 CE LYS A 7 -10.006 0.042 -6.213 1.00 0.00 C ATOM 105 NZ LYS A 7 -10.042 -0.052 -7.689 1.00 0.00 N ATOM 0 H LYS A 7 -6.230 1.365 -3.132 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.103 3.300 -4.058 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -8.060 0.650 -4.016 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -8.946 0.897 -2.524 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -10.750 0.990 -3.952 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -10.283 2.675 -4.076 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.330 2.171 -6.335 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -8.668 1.722 -6.009 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.246 -0.633 -5.818 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -10.962 -0.277 -5.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -10.248 -1.032 -7.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -10.783 0.577 -8.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.120 0.233 -8.078 1.00 0.00 H new ATOM 119 N GLY A 8 -8.061 2.757 -0.813 1.00 0.00 N ATOM 120 CA GLY A 8 -8.415 3.346 0.468 1.00 0.00 C ATOM 121 C GLY A 8 -7.817 4.747 0.611 1.00 0.00 C ATOM 122 O GLY A 8 -8.542 5.716 0.833 1.00 0.00 O ATOM 0 H GLY A 8 -7.613 1.843 -0.753 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -9.500 3.398 0.561 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -8.056 2.709 1.277 1.00 0.00 H new ATOM 126 N ILE A 9 -6.500 4.810 0.479 1.00 0.00 N ATOM 127 CA ILE A 9 -5.796 6.076 0.591 1.00 0.00 C ATOM 128 C ILE A 9 -6.413 7.085 -0.380 1.00 0.00 C ATOM 129 O ILE A 9 -6.728 8.210 0.005 1.00 0.00 O ATOM 130 CB ILE A 9 -4.293 5.872 0.393 1.00 0.00 C ATOM 131 CG1 ILE A 9 -3.610 5.514 1.715 1.00 0.00 C ATOM 132 CG2 ILE A 9 -3.656 7.096 -0.268 1.00 0.00 C ATOM 133 CD1 ILE A 9 -2.089 5.480 1.554 1.00 0.00 C ATOM 0 H ILE A 9 -5.902 4.004 0.295 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.909 6.488 1.594 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.148 5.029 -0.283 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.882 6.243 2.478 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.965 4.543 2.061 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.587 6.925 -0.397 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.117 7.265 -1.241 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.809 7.971 0.363 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.628 5.223 2.508 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -1.819 4.733 0.808 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.735 6.459 1.232 1.00 0.00 H new ATOM 145 N PHE A 10 -6.567 6.646 -1.621 1.00 0.00 N ATOM 146 CA PHE A 10 -7.140 7.497 -2.650 1.00 0.00 C ATOM 147 C PHE A 10 -8.462 8.108 -2.182 1.00 0.00 C ATOM 148 O PHE A 10 -8.631 9.327 -2.206 1.00 0.00 O ATOM 149 CB PHE A 10 -7.405 6.610 -3.868 1.00 0.00 C ATOM 150 CG PHE A 10 -8.463 7.165 -4.823 1.00 0.00 C ATOM 151 CD1 PHE A 10 -9.780 6.904 -4.605 1.00 0.00 C ATOM 152 CD2 PHE A 10 -8.087 7.918 -5.891 1.00 0.00 C ATOM 153 CE1 PHE A 10 -10.762 7.418 -5.492 1.00 0.00 C ATOM 154 CE2 PHE A 10 -9.070 8.432 -6.778 1.00 0.00 C ATOM 155 CZ PHE A 10 -10.387 8.172 -6.560 1.00 0.00 C ATOM 0 H PHE A 10 -6.305 5.712 -1.937 1.00 0.00 H new ATOM 0 HA PHE A 10 -6.455 8.313 -2.882 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -6.472 6.474 -4.415 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.721 5.625 -3.525 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -10.079 6.306 -3.757 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -7.041 8.125 -6.065 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -11.808 7.210 -5.319 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -8.771 9.030 -7.626 1.00 0.00 H new ATOM 0 HZ PHE A 10 -11.134 8.564 -7.234 1.00 0.00 H new ATOM 165 N GLU A 11 -9.367 7.234 -1.766 1.00 0.00 N ATOM 166 CA GLU A 11 -10.669 7.672 -1.294 1.00 0.00 C ATOM 167 C GLU A 11 -10.513 8.568 -0.063 1.00 0.00 C ATOM 168 O GLU A 11 -11.230 9.557 0.085 1.00 0.00 O ATOM 169 CB GLU A 11 -11.574 6.476 -0.990 1.00 0.00 C ATOM 170 CG GLU A 11 -12.769 6.436 -1.945 1.00 0.00 C ATOM 171 CD GLU A 11 -14.058 6.092 -1.196 1.00 0.00 C ATOM 172 OE1 GLU A 11 -13.994 5.177 -0.347 1.00 0.00 O ATOM 173 OE2 GLU A 11 -15.078 6.752 -1.489 1.00 0.00 O ATOM 0 H GLU A 11 -9.224 6.224 -1.746 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.144 8.253 -2.085 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -11.003 5.552 -1.077 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.928 6.536 0.039 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -12.877 7.402 -2.438 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -12.590 5.697 -2.726 1.00 0.00 H new ATOM 180 N LYS A 12 -9.573 8.188 0.790 1.00 0.00 N ATOM 181 CA LYS A 12 -9.314 8.945 2.003 1.00 0.00 C ATOM 182 C LYS A 12 -8.900 10.370 1.632 1.00 0.00 C ATOM 183 O LYS A 12 -9.009 11.284 2.448 1.00 0.00 O ATOM 184 CB LYS A 12 -8.293 8.217 2.881 1.00 0.00 C ATOM 185 CG LYS A 12 -8.154 8.901 4.242 1.00 0.00 C ATOM 186 CD LYS A 12 -6.717 9.375 4.473 1.00 0.00 C ATOM 187 CE LYS A 12 -6.256 9.054 5.896 1.00 0.00 C ATOM 188 NZ LYS A 12 -5.527 7.767 5.927 1.00 0.00 N ATOM 0 H LYS A 12 -8.982 7.366 0.665 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.220 9.022 2.604 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.601 7.181 3.021 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.325 8.197 2.380 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.834 9.751 4.297 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.444 8.209 5.032 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.052 8.895 3.755 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.652 10.449 4.299 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.612 9.852 6.265 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.118 9.007 6.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.221 7.565 6.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.153 7.005 5.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.694 7.825 5.307 1.00 0.00 H new ATOM 202 N TYR A 13 -8.434 10.515 0.401 1.00 0.00 N ATOM 203 CA TYR A 13 -8.004 11.814 -0.089 1.00 0.00 C ATOM 204 C TYR A 13 -9.127 12.508 -0.863 1.00 0.00 C ATOM 205 O TYR A 13 -9.361 13.702 -0.686 1.00 0.00 O ATOM 206 CB TYR A 13 -6.838 11.541 -1.040 1.00 0.00 C ATOM 207 CG TYR A 13 -5.460 11.789 -0.423 1.00 0.00 C ATOM 208 CD1 TYR A 13 -4.946 13.069 -0.373 1.00 0.00 C ATOM 209 CD2 TYR A 13 -4.730 10.732 0.083 1.00 0.00 C ATOM 210 CE1 TYR A 13 -3.650 13.302 0.208 1.00 0.00 C ATOM 211 CE2 TYR A 13 -3.433 10.966 0.664 1.00 0.00 C ATOM 212 CZ TYR A 13 -2.957 12.239 0.698 1.00 0.00 C ATOM 213 OH TYR A 13 -1.732 12.459 1.246 1.00 0.00 O ATOM 0 H TYR A 13 -8.344 9.754 -0.273 1.00 0.00 H new ATOM 0 HA TYR A 13 -7.724 12.463 0.740 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -6.893 10.506 -1.377 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.948 12.170 -1.923 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -5.516 13.896 -0.770 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.131 9.730 0.043 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.237 14.299 0.254 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.852 10.148 1.064 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.685 12.028 2.125 1.00 0.00 H new ATOM 223 N ALA A 14 -9.790 11.729 -1.705 1.00 0.00 N ATOM 224 CA ALA A 14 -10.883 12.254 -2.506 1.00 0.00 C ATOM 225 C ALA A 14 -12.034 12.665 -1.586 1.00 0.00 C ATOM 226 O ALA A 14 -12.926 13.407 -1.995 1.00 0.00 O ATOM 227 CB ALA A 14 -11.306 11.208 -3.539 1.00 0.00 C ATOM 0 H ALA A 14 -9.592 10.739 -1.850 1.00 0.00 H new ATOM 0 HA ALA A 14 -10.566 13.142 -3.052 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -12.126 11.601 -4.140 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.461 10.974 -4.187 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -11.633 10.303 -3.027 1.00 0.00 H new ATOM 233 N ALA A 15 -11.977 12.164 -0.361 1.00 0.00 N ATOM 234 CA ALA A 15 -13.003 12.470 0.621 1.00 0.00 C ATOM 235 C ALA A 15 -12.661 13.789 1.317 1.00 0.00 C ATOM 236 O ALA A 15 -13.542 14.459 1.853 1.00 0.00 O ATOM 237 CB ALA A 15 -13.130 11.306 1.606 1.00 0.00 C ATOM 0 H ALA A 15 -11.236 11.548 -0.026 1.00 0.00 H new ATOM 0 HA ALA A 15 -13.972 12.595 0.137 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -13.900 11.535 2.343 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.404 10.400 1.065 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -12.177 11.152 2.112 1.00 0.00 H new ATOM 243 N LYS A 16 -11.379 14.122 1.286 1.00 0.00 N ATOM 244 CA LYS A 16 -10.910 15.349 1.907 1.00 0.00 C ATOM 245 C LYS A 16 -11.699 16.533 1.347 1.00 0.00 C ATOM 246 O LYS A 16 -12.444 17.188 2.075 1.00 0.00 O ATOM 247 CB LYS A 16 -9.395 15.486 1.744 1.00 0.00 C ATOM 248 CG LYS A 16 -8.704 15.595 3.105 1.00 0.00 C ATOM 249 CD LYS A 16 -7.195 15.788 2.940 1.00 0.00 C ATOM 250 CE LYS A 16 -6.706 16.994 3.744 1.00 0.00 C ATOM 251 NZ LYS A 16 -5.279 16.834 4.102 1.00 0.00 N ATOM 0 H LYS A 16 -10.651 13.564 0.841 1.00 0.00 H new ATOM 0 HA LYS A 16 -11.091 15.326 2.982 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.005 14.625 1.202 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.168 16.368 1.146 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.122 16.432 3.663 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.897 14.695 3.688 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.672 14.890 3.269 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.956 15.928 1.886 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.841 17.906 3.162 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.304 17.102 4.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.963 17.661 4.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.159 15.975 4.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.710 16.753 3.235 1.00 0.00 H new ATOM 265 N GLU A 17 -11.508 16.774 0.058 1.00 0.00 N ATOM 266 CA GLU A 17 -12.193 17.868 -0.608 1.00 0.00 C ATOM 267 C GLU A 17 -13.101 17.331 -1.716 1.00 0.00 C ATOM 268 O GLU A 17 -12.665 16.541 -2.553 1.00 0.00 O ATOM 269 CB GLU A 17 -11.193 18.884 -1.164 1.00 0.00 C ATOM 270 CG GLU A 17 -10.577 19.718 -0.039 1.00 0.00 C ATOM 271 CD GLU A 17 -10.610 21.209 -0.382 1.00 0.00 C ATOM 272 OE1 GLU A 17 -11.727 21.770 -0.369 1.00 0.00 O ATOM 273 OE2 GLU A 17 -9.517 21.754 -0.649 1.00 0.00 O ATOM 0 H GLU A 17 -10.888 16.230 -0.543 1.00 0.00 H new ATOM 0 HA GLU A 17 -12.813 18.382 0.126 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -10.405 18.364 -1.709 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.693 19.540 -1.876 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -11.121 19.542 0.889 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.547 19.403 0.131 1.00 0.00 H new ATOM 280 N GLY A 18 -14.348 17.779 -1.686 1.00 0.00 N ATOM 281 CA GLY A 18 -15.321 17.353 -2.677 1.00 0.00 C ATOM 282 C GLY A 18 -15.616 15.857 -2.547 1.00 0.00 C ATOM 283 O GLY A 18 -15.043 15.179 -1.696 1.00 0.00 O ATOM 0 H GLY A 18 -14.707 18.433 -0.990 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -16.243 17.921 -2.554 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -14.945 17.568 -3.677 1.00 0.00 H new ATOM 287 N ASP A 19 -16.511 15.387 -3.404 1.00 0.00 N ATOM 288 CA ASP A 19 -16.890 13.984 -3.396 1.00 0.00 C ATOM 289 C ASP A 19 -15.646 13.123 -3.624 1.00 0.00 C ATOM 290 O ASP A 19 -14.794 13.462 -4.443 1.00 0.00 O ATOM 291 CB ASP A 19 -17.889 13.677 -4.513 1.00 0.00 C ATOM 292 CG ASP A 19 -18.840 12.513 -4.228 1.00 0.00 C ATOM 293 OD1 ASP A 19 -18.424 11.363 -4.490 1.00 0.00 O ATOM 294 OD2 ASP A 19 -19.961 12.798 -3.755 1.00 0.00 O ATOM 0 H ASP A 19 -16.985 15.953 -4.108 1.00 0.00 H new ATOM 0 HA ASP A 19 -17.349 13.764 -2.432 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -18.481 14.571 -4.706 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -17.335 13.458 -5.426 1.00 0.00 H new ATOM 299 N PRO A 20 -15.579 11.997 -2.864 1.00 0.00 N ATOM 300 CA PRO A 20 -14.454 11.085 -2.975 1.00 0.00 C ATOM 301 C PRO A 20 -14.545 10.256 -4.257 1.00 0.00 C ATOM 302 O PRO A 20 -13.674 9.432 -4.531 1.00 0.00 O ATOM 303 CB PRO A 20 -14.509 10.237 -1.714 1.00 0.00 C ATOM 304 CG PRO A 20 -15.921 10.388 -1.172 1.00 0.00 C ATOM 305 CD PRO A 20 -16.570 11.564 -1.883 1.00 0.00 C ATOM 0 HA PRO A 20 -13.498 11.603 -3.049 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -14.285 9.193 -1.935 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -13.772 10.574 -0.984 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -16.494 9.476 -1.341 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -15.901 10.557 -0.095 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -17.502 11.270 -2.365 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -16.812 12.365 -1.184 1.00 0.00 H new ATOM 313 N ASN A 21 -15.607 10.503 -5.010 1.00 0.00 N ATOM 314 CA ASN A 21 -15.823 9.789 -6.257 1.00 0.00 C ATOM 315 C ASN A 21 -15.226 10.596 -7.411 1.00 0.00 C ATOM 316 O ASN A 21 -15.379 10.229 -8.575 1.00 0.00 O ATOM 317 CB ASN A 21 -17.316 9.602 -6.533 1.00 0.00 C ATOM 318 CG ASN A 21 -18.004 8.886 -5.369 1.00 0.00 C ATOM 319 OD1 ASN A 21 -17.395 8.550 -4.366 1.00 0.00 O ATOM 320 ND2 ASN A 21 -19.303 8.672 -5.557 1.00 0.00 N ATOM 0 H ASN A 21 -16.327 11.188 -4.780 1.00 0.00 H new ATOM 0 HA ASN A 21 -15.347 8.812 -6.173 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -17.784 10.573 -6.695 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -17.451 9.027 -7.449 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -19.852 8.201 -4.838 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -19.751 8.979 -6.420 1.00 0.00 H new ATOM 327 N GLN A 22 -14.559 11.682 -7.049 1.00 0.00 N ATOM 328 CA GLN A 22 -13.938 12.544 -8.040 1.00 0.00 C ATOM 329 C GLN A 22 -12.760 13.301 -7.422 1.00 0.00 C ATOM 330 O GLN A 22 -12.908 13.949 -6.388 1.00 0.00 O ATOM 331 CB GLN A 22 -14.959 13.514 -8.639 1.00 0.00 C ATOM 332 CG GLN A 22 -16.012 13.911 -7.603 1.00 0.00 C ATOM 333 CD GLN A 22 -17.136 14.725 -8.247 1.00 0.00 C ATOM 334 OE1 GLN A 22 -17.471 14.557 -9.408 1.00 0.00 O ATOM 335 NE2 GLN A 22 -17.697 15.613 -7.432 1.00 0.00 N ATOM 0 H GLN A 22 -14.435 11.985 -6.083 1.00 0.00 H new ATOM 0 HA GLN A 22 -13.559 11.920 -8.850 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -14.448 14.405 -9.004 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -15.445 13.051 -9.498 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -16.426 13.016 -7.139 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -15.545 14.494 -6.809 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -17.368 15.702 -6.471 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -18.456 16.205 -7.768 1.00 0.00 H new ATOM 344 N LEU A 23 -11.617 13.193 -8.083 1.00 0.00 N ATOM 345 CA LEU A 23 -10.414 13.858 -7.612 1.00 0.00 C ATOM 346 C LEU A 23 -10.360 15.274 -8.191 1.00 0.00 C ATOM 347 O LEU A 23 -10.938 15.540 -9.243 1.00 0.00 O ATOM 348 CB LEU A 23 -9.177 13.016 -7.929 1.00 0.00 C ATOM 349 CG LEU A 23 -8.903 11.844 -6.986 1.00 0.00 C ATOM 350 CD1 LEU A 23 -8.140 12.306 -5.743 1.00 0.00 C ATOM 351 CD2 LEU A 23 -10.200 11.117 -6.624 1.00 0.00 C ATOM 0 H LEU A 23 -11.498 12.655 -8.941 1.00 0.00 H new ATOM 0 HA LEU A 23 -10.433 13.957 -6.527 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -9.278 12.626 -8.942 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -8.306 13.671 -7.925 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.267 11.129 -7.507 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.958 11.453 -5.090 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.187 12.743 -6.042 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.730 13.052 -5.210 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.977 10.288 -5.952 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -10.880 11.811 -6.130 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -10.668 10.734 -7.531 1.00 0.00 H new ATOM 363 N SER A 24 -9.660 16.144 -7.478 1.00 0.00 N ATOM 364 CA SER A 24 -9.523 17.525 -7.907 1.00 0.00 C ATOM 365 C SER A 24 -8.043 17.909 -7.969 1.00 0.00 C ATOM 366 O SER A 24 -7.198 17.232 -7.386 1.00 0.00 O ATOM 367 CB SER A 24 -10.278 18.470 -6.971 1.00 0.00 C ATOM 368 OG SER A 24 -11.568 17.968 -6.631 1.00 0.00 O ATOM 0 H SER A 24 -9.182 15.919 -6.606 1.00 0.00 H new ATOM 0 HA SER A 24 -9.958 17.619 -8.902 1.00 0.00 H new ATOM 0 HB2 SER A 24 -9.696 18.620 -6.061 1.00 0.00 H new ATOM 0 HB3 SER A 24 -10.382 19.445 -7.447 1.00 0.00 H new ATOM 0 HG SER A 24 -12.017 18.599 -6.031 1.00 0.00 H new ATOM 374 N LYS A 25 -7.776 18.995 -8.680 1.00 0.00 N ATOM 375 CA LYS A 25 -6.413 19.477 -8.825 1.00 0.00 C ATOM 376 C LYS A 25 -5.798 19.680 -7.439 1.00 0.00 C ATOM 377 O LYS A 25 -4.789 19.060 -7.107 1.00 0.00 O ATOM 378 CB LYS A 25 -6.379 20.730 -9.703 1.00 0.00 C ATOM 379 CG LYS A 25 -4.940 21.185 -9.953 1.00 0.00 C ATOM 380 CD LYS A 25 -4.895 22.656 -10.373 1.00 0.00 C ATOM 381 CE LYS A 25 -4.652 23.563 -9.165 1.00 0.00 C ATOM 382 NZ LYS A 25 -5.936 24.079 -8.638 1.00 0.00 N ATOM 0 H LYS A 25 -8.480 19.554 -9.162 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.800 18.738 -9.340 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.870 20.525 -10.654 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.939 21.531 -9.221 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.348 21.043 -9.049 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.489 20.567 -10.730 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.104 22.804 -11.109 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.834 22.929 -10.855 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.129 23.009 -8.386 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.009 24.395 -9.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.752 24.877 -7.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.532 24.400 -9.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.427 23.323 -8.119 1.00 0.00 H new ATOM 396 N GLU A 26 -6.432 20.552 -6.668 1.00 0.00 N ATOM 397 CA GLU A 26 -5.959 20.845 -5.325 1.00 0.00 C ATOM 398 C GLU A 26 -5.883 19.560 -4.497 1.00 0.00 C ATOM 399 O GLU A 26 -4.968 19.389 -3.694 1.00 0.00 O ATOM 400 CB GLU A 26 -6.853 21.884 -4.645 1.00 0.00 C ATOM 401 CG GLU A 26 -6.072 23.164 -4.342 1.00 0.00 C ATOM 402 CD GLU A 26 -6.449 23.725 -2.970 1.00 0.00 C ATOM 403 OE1 GLU A 26 -6.031 23.105 -1.968 1.00 0.00 O ATOM 404 OE2 GLU A 26 -7.148 24.762 -2.953 1.00 0.00 O ATOM 0 H GLU A 26 -7.268 21.065 -6.947 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.957 21.267 -5.397 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.702 22.115 -5.288 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.257 21.472 -3.720 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.002 22.957 -4.373 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.275 23.909 -5.112 1.00 0.00 H new ATOM 411 N GLU A 27 -6.857 18.690 -4.722 1.00 0.00 N ATOM 412 CA GLU A 27 -6.912 17.427 -4.007 1.00 0.00 C ATOM 413 C GLU A 27 -5.699 16.564 -4.360 1.00 0.00 C ATOM 414 O GLU A 27 -4.945 16.155 -3.478 1.00 0.00 O ATOM 415 CB GLU A 27 -8.217 16.685 -4.303 1.00 0.00 C ATOM 416 CG GLU A 27 -9.170 16.753 -3.108 1.00 0.00 C ATOM 417 CD GLU A 27 -9.565 15.351 -2.642 1.00 0.00 C ATOM 418 OE1 GLU A 27 -8.759 14.425 -2.880 1.00 0.00 O ATOM 419 OE2 GLU A 27 -10.664 15.236 -2.057 1.00 0.00 O ATOM 0 H GLU A 27 -7.614 18.835 -5.390 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.886 17.636 -2.938 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.696 17.120 -5.180 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.001 15.644 -4.542 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -8.694 17.292 -2.289 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.063 17.314 -3.382 1.00 0.00 H new ATOM 426 N LEU A 28 -5.547 16.313 -5.652 1.00 0.00 N ATOM 427 CA LEU A 28 -4.438 15.506 -6.133 1.00 0.00 C ATOM 428 C LEU A 28 -3.127 16.072 -5.585 1.00 0.00 C ATOM 429 O LEU A 28 -2.287 15.326 -5.082 1.00 0.00 O ATOM 430 CB LEU A 28 -4.473 15.403 -7.659 1.00 0.00 C ATOM 431 CG LEU A 28 -3.777 14.182 -8.265 1.00 0.00 C ATOM 432 CD1 LEU A 28 -3.646 13.058 -7.234 1.00 0.00 C ATOM 433 CD2 LEU A 28 -4.494 13.715 -9.533 1.00 0.00 C ATOM 0 H LEU A 28 -6.174 16.654 -6.381 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.523 14.483 -5.766 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.515 15.399 -7.979 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.015 16.301 -8.075 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.767 14.473 -8.555 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.148 12.202 -7.690 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.059 13.409 -6.385 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.637 12.761 -6.892 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.979 12.846 -9.943 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.522 13.447 -9.292 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.492 14.519 -10.269 1.00 0.00 H new ATOM 445 N LYS A 29 -2.991 17.384 -5.700 1.00 0.00 N ATOM 446 CA LYS A 29 -1.796 18.058 -5.222 1.00 0.00 C ATOM 447 C LYS A 29 -1.378 17.455 -3.880 1.00 0.00 C ATOM 448 O LYS A 29 -0.249 16.991 -3.729 1.00 0.00 O ATOM 449 CB LYS A 29 -2.017 19.571 -5.174 1.00 0.00 C ATOM 450 CG LYS A 29 -0.760 20.294 -4.686 1.00 0.00 C ATOM 451 CD LYS A 29 -0.828 21.789 -5.004 1.00 0.00 C ATOM 452 CE LYS A 29 -0.897 22.620 -3.721 1.00 0.00 C ATOM 453 NZ LYS A 29 -2.099 23.483 -3.726 1.00 0.00 N ATOM 0 H LYS A 29 -3.689 17.999 -6.118 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.968 17.902 -5.914 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.288 19.934 -6.165 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.852 19.799 -4.512 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.649 20.152 -3.611 1.00 0.00 H new ATOM 0 HG3 LYS A 29 0.121 19.858 -5.158 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.047 22.081 -5.584 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.703 21.994 -5.622 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.920 21.960 -2.854 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.001 23.235 -3.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.069 24.124 -2.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.122 24.042 -4.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.952 22.891 -3.671 1.00 0.00 H new ATOM 467 N LEU A 30 -2.310 17.481 -2.939 1.00 0.00 N ATOM 468 CA LEU A 30 -2.053 16.943 -1.615 1.00 0.00 C ATOM 469 C LEU A 30 -1.548 15.504 -1.743 1.00 0.00 C ATOM 470 O LEU A 30 -0.464 15.178 -1.261 1.00 0.00 O ATOM 471 CB LEU A 30 -3.293 17.082 -0.729 1.00 0.00 C ATOM 472 CG LEU A 30 -3.830 18.503 -0.546 1.00 0.00 C ATOM 473 CD1 LEU A 30 -4.716 18.598 0.698 1.00 0.00 C ATOM 474 CD2 LEU A 30 -2.688 19.521 -0.515 1.00 0.00 C ATOM 0 H LEU A 30 -3.245 17.867 -3.068 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.269 17.514 -1.118 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.087 16.466 -1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.060 16.673 0.254 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.454 18.746 -1.406 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.085 19.618 0.805 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.560 17.916 0.596 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.135 18.328 1.580 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.097 20.523 -0.384 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.018 19.291 0.314 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.134 19.475 -1.453 1.00 0.00 H new ATOM 486 N LEU A 31 -2.357 14.683 -2.396 1.00 0.00 N ATOM 487 CA LEU A 31 -2.005 13.287 -2.594 1.00 0.00 C ATOM 488 C LEU A 31 -0.579 13.197 -3.141 1.00 0.00 C ATOM 489 O LEU A 31 0.314 12.677 -2.474 1.00 0.00 O ATOM 490 CB LEU A 31 -3.046 12.592 -3.473 1.00 0.00 C ATOM 491 CG LEU A 31 -3.177 11.078 -3.290 1.00 0.00 C ATOM 492 CD1 LEU A 31 -4.628 10.683 -3.012 1.00 0.00 C ATOM 493 CD2 LEU A 31 -2.598 10.328 -4.491 1.00 0.00 C ATOM 0 H LEU A 31 -3.255 14.957 -2.795 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.016 12.753 -1.644 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.018 13.047 -3.279 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.803 12.792 -4.517 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.592 10.788 -2.417 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.693 9.602 -2.886 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.971 11.176 -2.102 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.255 10.989 -3.849 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.704 9.254 -4.335 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.135 10.618 -5.394 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.542 10.576 -4.601 1.00 0.00 H new ATOM 505 N LEU A 32 -0.410 13.712 -4.349 1.00 0.00 N ATOM 506 CA LEU A 32 0.893 13.697 -4.994 1.00 0.00 C ATOM 507 C LEU A 32 1.945 14.230 -4.020 1.00 0.00 C ATOM 508 O LEU A 32 3.133 13.945 -4.167 1.00 0.00 O ATOM 509 CB LEU A 32 0.843 14.456 -6.321 1.00 0.00 C ATOM 510 CG LEU A 32 -0.212 13.985 -7.324 1.00 0.00 C ATOM 511 CD1 LEU A 32 -0.391 15.004 -8.451 1.00 0.00 C ATOM 512 CD2 LEU A 32 0.125 12.592 -7.860 1.00 0.00 C ATOM 0 H LEU A 32 -1.153 14.143 -4.899 1.00 0.00 H new ATOM 0 HA LEU A 32 1.181 12.677 -5.248 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.667 15.510 -6.107 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.822 14.386 -6.794 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.167 13.908 -6.804 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.146 14.645 -9.150 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.710 15.958 -8.031 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.555 15.136 -8.976 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.640 12.281 -8.571 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.094 12.619 -8.359 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.162 11.883 -7.033 1.00 0.00 H new ATOM 524 N GLN A 33 1.471 14.993 -3.046 1.00 0.00 N ATOM 525 CA GLN A 33 2.357 15.568 -2.048 1.00 0.00 C ATOM 526 C GLN A 33 2.896 14.475 -1.123 1.00 0.00 C ATOM 527 O GLN A 33 4.107 14.283 -1.023 1.00 0.00 O ATOM 528 CB GLN A 33 1.645 16.661 -1.248 1.00 0.00 C ATOM 529 CG GLN A 33 2.536 17.894 -1.090 1.00 0.00 C ATOM 530 CD GLN A 33 2.138 18.705 0.145 1.00 0.00 C ATOM 531 OE1 GLN A 33 2.592 18.464 1.251 1.00 0.00 O ATOM 532 NE2 GLN A 33 1.265 19.677 -0.105 1.00 0.00 N ATOM 0 H GLN A 33 0.485 15.226 -2.927 1.00 0.00 H new ATOM 0 HA GLN A 33 3.200 16.030 -2.562 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.719 16.939 -1.751 1.00 0.00 H new ATOM 0 HB3 GLN A 33 1.371 16.277 -0.265 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.578 17.585 -1.006 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.459 18.519 -1.980 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.925 19.825 -1.055 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.936 20.274 0.653 1.00 0.00 H new ATOM 541 N THR A 34 1.971 13.787 -0.471 1.00 0.00 N ATOM 542 CA THR A 34 2.338 12.717 0.442 1.00 0.00 C ATOM 543 C THR A 34 2.492 11.398 -0.317 1.00 0.00 C ATOM 544 O THR A 34 3.515 10.725 -0.199 1.00 0.00 O ATOM 545 CB THR A 34 1.286 12.661 1.551 1.00 0.00 C ATOM 546 OG1 THR A 34 1.919 13.289 2.663 1.00 0.00 O ATOM 547 CG2 THR A 34 1.019 11.233 2.033 1.00 0.00 C ATOM 0 H THR A 34 0.968 13.949 -0.556 1.00 0.00 H new ATOM 0 HA THR A 34 3.308 12.905 0.903 1.00 0.00 H new ATOM 0 HB THR A 34 0.357 13.103 1.192 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.305 13.297 3.427 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.265 11.250 2.820 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.661 10.629 1.200 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.941 10.802 2.423 1.00 0.00 H new ATOM 555 N GLU A 35 1.461 11.067 -1.080 1.00 0.00 N ATOM 556 CA GLU A 35 1.469 9.840 -1.858 1.00 0.00 C ATOM 557 C GLU A 35 2.804 9.682 -2.587 1.00 0.00 C ATOM 558 O GLU A 35 3.538 8.724 -2.348 1.00 0.00 O ATOM 559 CB GLU A 35 0.299 9.807 -2.843 1.00 0.00 C ATOM 560 CG GLU A 35 0.364 8.563 -3.731 1.00 0.00 C ATOM 561 CD GLU A 35 -0.453 7.417 -3.131 1.00 0.00 C ATOM 562 OE1 GLU A 35 -0.021 6.903 -2.077 1.00 0.00 O ATOM 563 OE2 GLU A 35 -1.492 7.082 -3.740 1.00 0.00 O ATOM 0 H GLU A 35 0.614 11.627 -1.176 1.00 0.00 H new ATOM 0 HA GLU A 35 1.349 8.999 -1.175 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.643 9.818 -2.295 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.317 10.703 -3.464 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.013 8.802 -4.725 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.402 8.251 -3.850 1.00 0.00 H new ATOM 570 N PHE A 36 3.080 10.638 -3.463 1.00 0.00 N ATOM 571 CA PHE A 36 4.315 10.617 -4.229 1.00 0.00 C ATOM 572 C PHE A 36 4.758 12.036 -4.592 1.00 0.00 C ATOM 573 O PHE A 36 4.370 12.564 -5.633 1.00 0.00 O ATOM 574 CB PHE A 36 4.030 9.840 -5.515 1.00 0.00 C ATOM 575 CG PHE A 36 4.400 8.357 -5.441 1.00 0.00 C ATOM 576 CD1 PHE A 36 5.706 7.985 -5.366 1.00 0.00 C ATOM 577 CD2 PHE A 36 3.423 7.411 -5.449 1.00 0.00 C ATOM 578 CE1 PHE A 36 6.049 6.609 -5.297 1.00 0.00 C ATOM 579 CE2 PHE A 36 3.766 6.035 -5.380 1.00 0.00 C ATOM 580 CZ PHE A 36 5.072 5.663 -5.305 1.00 0.00 C ATOM 0 H PHE A 36 2.470 11.431 -3.659 1.00 0.00 H new ATOM 0 HA PHE A 36 5.109 10.155 -3.643 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.970 9.928 -5.753 1.00 0.00 H new ATOM 0 HB3 PHE A 36 4.580 10.301 -6.335 1.00 0.00 H new ATOM 0 HD1 PHE A 36 6.482 8.736 -5.359 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.386 7.707 -5.508 1.00 0.00 H new ATOM 0 HE1 PHE A 36 7.086 6.313 -5.238 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.990 5.284 -5.387 1.00 0.00 H new ATOM 0 HZ PHE A 36 5.333 4.616 -5.252 1.00 0.00 H new ATOM 590 N PRO A 37 5.586 12.628 -3.690 1.00 0.00 N ATOM 591 CA PRO A 37 6.087 13.975 -3.905 1.00 0.00 C ATOM 592 C PRO A 37 7.183 13.989 -4.973 1.00 0.00 C ATOM 593 O PRO A 37 7.742 15.041 -5.279 1.00 0.00 O ATOM 594 CB PRO A 37 6.579 14.434 -2.542 1.00 0.00 C ATOM 595 CG PRO A 37 6.765 13.170 -1.719 1.00 0.00 C ATOM 596 CD PRO A 37 6.067 12.033 -2.446 1.00 0.00 C ATOM 0 HA PRO A 37 5.323 14.652 -4.286 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.516 14.984 -2.630 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.859 15.104 -2.072 1.00 0.00 H new ATOM 0 HG2 PRO A 37 7.825 12.949 -1.593 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.346 13.299 -0.721 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.752 11.208 -2.641 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.244 11.631 -1.855 1.00 0.00 H new ATOM 604 N SER A 38 7.456 12.809 -5.509 1.00 0.00 N ATOM 605 CA SER A 38 8.475 12.672 -6.536 1.00 0.00 C ATOM 606 C SER A 38 7.878 12.980 -7.911 1.00 0.00 C ATOM 607 O SER A 38 8.602 13.329 -8.842 1.00 0.00 O ATOM 608 CB SER A 38 9.084 11.269 -6.525 1.00 0.00 C ATOM 609 OG SER A 38 10.506 11.303 -6.618 1.00 0.00 O ATOM 0 H SER A 38 6.990 11.939 -5.252 1.00 0.00 H new ATOM 0 HA SER A 38 9.271 13.386 -6.324 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.793 10.755 -5.609 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.680 10.692 -7.357 1.00 0.00 H new ATOM 0 HG SER A 38 10.857 10.388 -6.606 1.00 0.00 H new ATOM 615 N LEU A 39 6.563 12.840 -7.994 1.00 0.00 N ATOM 616 CA LEU A 39 5.860 13.099 -9.239 1.00 0.00 C ATOM 617 C LEU A 39 5.853 14.605 -9.512 1.00 0.00 C ATOM 618 O LEU A 39 5.690 15.031 -10.654 1.00 0.00 O ATOM 619 CB LEU A 39 4.464 12.474 -9.206 1.00 0.00 C ATOM 620 CG LEU A 39 4.217 11.332 -10.194 1.00 0.00 C ATOM 621 CD1 LEU A 39 3.898 11.872 -11.589 1.00 0.00 C ATOM 622 CD2 LEU A 39 5.398 10.359 -10.212 1.00 0.00 C ATOM 0 H LEU A 39 5.966 12.551 -7.219 1.00 0.00 H new ATOM 0 HA LEU A 39 6.377 12.625 -10.074 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.277 12.103 -8.198 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.732 13.258 -9.397 1.00 0.00 H new ATOM 0 HG LEU A 39 3.343 10.773 -9.859 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.727 11.039 -12.271 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.003 12.493 -11.543 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.736 12.469 -11.948 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.198 9.557 -10.922 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.302 10.890 -10.510 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.537 9.937 -9.217 1.00 0.00 H new ATOM 634 N LEU A 40 6.033 15.368 -8.444 1.00 0.00 N ATOM 635 CA LEU A 40 6.050 16.817 -8.555 1.00 0.00 C ATOM 636 C LEU A 40 7.366 17.260 -9.197 1.00 0.00 C ATOM 637 O LEU A 40 7.465 18.371 -9.715 1.00 0.00 O ATOM 638 CB LEU A 40 5.782 17.461 -7.193 1.00 0.00 C ATOM 639 CG LEU A 40 4.405 17.194 -6.584 1.00 0.00 C ATOM 640 CD1 LEU A 40 4.340 17.686 -5.136 1.00 0.00 C ATOM 641 CD2 LEU A 40 3.296 17.802 -7.445 1.00 0.00 C ATOM 0 H LEU A 40 6.168 15.011 -7.498 1.00 0.00 H new ATOM 0 HA LEU A 40 5.247 17.159 -9.207 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.541 17.112 -6.493 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.911 18.539 -7.291 1.00 0.00 H new ATOM 0 HG LEU A 40 4.244 16.116 -6.566 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.350 17.484 -4.727 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.091 17.167 -4.541 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.532 18.759 -5.107 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.328 17.597 -6.989 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.442 18.880 -7.518 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.327 17.363 -8.442 1.00 0.00 H new ATOM 653 N LYS A 41 8.344 16.368 -9.141 1.00 0.00 N ATOM 654 CA LYS A 41 9.650 16.654 -9.711 1.00 0.00 C ATOM 655 C LYS A 41 9.712 16.100 -11.136 1.00 0.00 C ATOM 656 O LYS A 41 10.578 15.287 -11.453 1.00 0.00 O ATOM 657 CB LYS A 41 10.759 16.127 -8.798 1.00 0.00 C ATOM 658 CG LYS A 41 10.407 16.344 -7.325 1.00 0.00 C ATOM 659 CD LYS A 41 11.653 16.249 -6.443 1.00 0.00 C ATOM 660 CE LYS A 41 11.387 15.385 -5.209 1.00 0.00 C ATOM 661 NZ LYS A 41 12.320 14.237 -5.168 1.00 0.00 N ATOM 0 H LYS A 41 8.259 15.447 -8.710 1.00 0.00 H new ATOM 0 HA LYS A 41 9.809 17.730 -9.780 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.915 15.065 -8.985 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.696 16.633 -9.030 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.942 17.322 -7.199 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.676 15.600 -7.009 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.478 15.826 -7.017 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.960 17.248 -6.133 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.500 15.985 -4.306 1.00 0.00 H new ATOM 0 HE3 LYS A 41 10.358 15.025 -5.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 12.125 13.661 -4.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.193 13.655 -6.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.299 14.586 -5.130 1.00 0.00 H new ATOM 675 N GLY A 42 8.781 16.564 -11.958 1.00 0.00 N ATOM 676 CA GLY A 42 8.719 16.125 -13.342 1.00 0.00 C ATOM 677 C GLY A 42 8.471 17.307 -14.281 1.00 0.00 C ATOM 678 O GLY A 42 8.214 18.422 -13.827 1.00 0.00 O ATOM 0 H GLY A 42 8.064 17.239 -11.692 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.652 15.630 -13.613 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.923 15.390 -13.459 1.00 0.00 H new ATOM 682 N MET A 43 8.557 17.024 -15.572 1.00 0.00 N ATOM 683 CA MET A 43 8.345 18.050 -16.579 1.00 0.00 C ATOM 684 C MET A 43 6.859 18.387 -16.714 1.00 0.00 C ATOM 685 O MET A 43 6.491 19.310 -17.439 1.00 0.00 O ATOM 686 CB MET A 43 8.882 17.562 -17.926 1.00 0.00 C ATOM 687 CG MET A 43 10.394 17.332 -17.862 1.00 0.00 C ATOM 688 SD MET A 43 11.190 18.122 -19.250 1.00 0.00 S ATOM 689 CE MET A 43 12.848 17.489 -19.058 1.00 0.00 C ATOM 0 H MET A 43 8.771 16.099 -15.944 1.00 0.00 H new ATOM 0 HA MET A 43 8.876 18.951 -16.271 1.00 0.00 H new ATOM 0 HB2 MET A 43 8.381 16.636 -18.207 1.00 0.00 H new ATOM 0 HB3 MET A 43 8.654 18.295 -18.700 1.00 0.00 H new ATOM 0 HG2 MET A 43 10.792 17.731 -16.929 1.00 0.00 H new ATOM 0 HG3 MET A 43 10.608 16.263 -17.869 1.00 0.00 H new ATOM 0 HE1 MET A 43 13.483 17.886 -19.850 1.00 0.00 H new ATOM 0 HE2 MET A 43 13.244 17.793 -18.089 1.00 0.00 H new ATOM 0 HE3 MET A 43 12.831 16.401 -19.118 1.00 0.00 H new ATOM 699 N SER A 44 6.044 17.620 -16.004 1.00 0.00 N ATOM 700 CA SER A 44 4.606 17.826 -16.036 1.00 0.00 C ATOM 701 C SER A 44 4.164 18.621 -14.805 1.00 0.00 C ATOM 702 O SER A 44 3.995 18.058 -13.725 1.00 0.00 O ATOM 703 CB SER A 44 3.860 16.492 -16.101 1.00 0.00 C ATOM 704 OG SER A 44 4.235 15.726 -17.243 1.00 0.00 O ATOM 0 H SER A 44 6.352 16.855 -15.403 1.00 0.00 H new ATOM 0 HA SER A 44 4.362 18.393 -16.934 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.064 15.918 -15.197 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.786 16.678 -16.126 1.00 0.00 H new ATOM 0 HG SER A 44 3.738 14.881 -17.248 1.00 0.00 H new ATOM 710 N THR A 45 3.990 19.919 -15.010 1.00 0.00 N ATOM 711 CA THR A 45 3.571 20.797 -13.931 1.00 0.00 C ATOM 712 C THR A 45 2.200 20.373 -13.400 1.00 0.00 C ATOM 713 O THR A 45 1.537 19.523 -13.992 1.00 0.00 O ATOM 714 CB THR A 45 3.603 22.235 -14.452 1.00 0.00 C ATOM 715 OG1 THR A 45 3.059 22.140 -15.766 1.00 0.00 O ATOM 716 CG2 THR A 45 5.028 22.745 -14.675 1.00 0.00 C ATOM 0 H THR A 45 4.132 20.383 -15.907 1.00 0.00 H new ATOM 0 HA THR A 45 4.249 20.729 -13.080 1.00 0.00 H new ATOM 0 HB THR A 45 3.090 22.888 -13.746 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.041 23.029 -16.178 1.00 0.00 H new ATOM 0 HG21 THR A 45 4.994 23.770 -15.045 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.576 22.717 -13.733 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.531 22.112 -15.406 1.00 0.00 H new ATOM 724 N LEU A 46 1.815 20.986 -12.291 1.00 0.00 N ATOM 725 CA LEU A 46 0.535 20.684 -11.674 1.00 0.00 C ATOM 726 C LEU A 46 -0.570 20.778 -12.728 1.00 0.00 C ATOM 727 O LEU A 46 -1.203 19.777 -13.061 1.00 0.00 O ATOM 728 CB LEU A 46 0.301 21.581 -10.456 1.00 0.00 C ATOM 729 CG LEU A 46 -0.661 21.037 -9.398 1.00 0.00 C ATOM 730 CD1 LEU A 46 -0.477 19.530 -9.212 1.00 0.00 C ATOM 731 CD2 LEU A 46 -0.512 21.799 -8.079 1.00 0.00 C ATOM 0 H LEU A 46 2.367 21.691 -11.803 1.00 0.00 H new ATOM 0 HA LEU A 46 0.528 19.662 -11.294 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.263 21.772 -9.980 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.079 22.541 -10.804 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.680 21.196 -9.750 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.173 19.169 -8.455 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.672 19.020 -10.156 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.545 19.325 -8.893 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.207 21.393 -7.344 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.509 21.693 -7.711 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.732 22.854 -8.242 1.00 0.00 H new ATOM 743 N ASP A 47 -0.767 21.990 -13.225 1.00 0.00 N ATOM 744 CA ASP A 47 -1.785 22.228 -14.235 1.00 0.00 C ATOM 745 C ASP A 47 -1.707 21.132 -15.299 1.00 0.00 C ATOM 746 O ASP A 47 -2.715 20.508 -15.628 1.00 0.00 O ATOM 747 CB ASP A 47 -1.569 23.576 -14.927 1.00 0.00 C ATOM 748 CG ASP A 47 -2.845 24.374 -15.201 1.00 0.00 C ATOM 749 OD1 ASP A 47 -3.443 24.138 -16.273 1.00 0.00 O ATOM 750 OD2 ASP A 47 -3.194 25.202 -14.332 1.00 0.00 O ATOM 0 H ASP A 47 -0.239 22.818 -12.948 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.757 22.228 -13.742 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.905 24.182 -14.310 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.056 23.404 -15.873 1.00 0.00 H new ATOM 755 N GLU A 48 -0.500 20.931 -15.809 1.00 0.00 N ATOM 756 CA GLU A 48 -0.278 19.921 -16.829 1.00 0.00 C ATOM 757 C GLU A 48 -0.777 18.558 -16.345 1.00 0.00 C ATOM 758 O GLU A 48 -1.447 17.840 -17.085 1.00 0.00 O ATOM 759 CB GLU A 48 1.199 19.855 -17.223 1.00 0.00 C ATOM 760 CG GLU A 48 1.411 20.376 -18.646 1.00 0.00 C ATOM 761 CD GLU A 48 2.615 19.698 -19.304 1.00 0.00 C ATOM 762 OE1 GLU A 48 3.737 20.209 -19.097 1.00 0.00 O ATOM 763 OE2 GLU A 48 2.386 18.685 -20.000 1.00 0.00 O ATOM 0 H GLU A 48 0.334 21.451 -15.534 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.845 20.199 -17.717 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.792 20.445 -16.524 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.552 18.826 -17.152 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.516 20.194 -19.241 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.564 21.455 -18.623 1.00 0.00 H new ATOM 770 N LEU A 49 -0.432 18.244 -15.105 1.00 0.00 N ATOM 771 CA LEU A 49 -0.837 16.980 -14.514 1.00 0.00 C ATOM 772 C LEU A 49 -2.364 16.918 -14.449 1.00 0.00 C ATOM 773 O LEU A 49 -2.964 15.909 -14.816 1.00 0.00 O ATOM 774 CB LEU A 49 -0.155 16.780 -13.159 1.00 0.00 C ATOM 775 CG LEU A 49 0.367 15.370 -12.872 1.00 0.00 C ATOM 776 CD1 LEU A 49 1.854 15.256 -13.214 1.00 0.00 C ATOM 777 CD2 LEU A 49 0.079 14.963 -11.426 1.00 0.00 C ATOM 0 H LEU A 49 0.123 18.843 -14.494 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.510 16.147 -15.136 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.680 17.477 -13.089 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.862 17.051 -12.375 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.166 14.671 -13.516 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.200 14.245 -13.001 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.002 15.475 -14.272 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.421 15.967 -12.614 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.460 13.957 -11.248 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.568 15.662 -10.747 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.997 14.980 -11.251 1.00 0.00 H new ATOM 789 N PHE A 50 -2.949 18.010 -13.979 1.00 0.00 N ATOM 790 CA PHE A 50 -4.395 18.093 -13.862 1.00 0.00 C ATOM 791 C PHE A 50 -5.069 17.859 -15.215 1.00 0.00 C ATOM 792 O PHE A 50 -5.956 17.015 -15.333 1.00 0.00 O ATOM 793 CB PHE A 50 -4.724 19.506 -13.378 1.00 0.00 C ATOM 794 CG PHE A 50 -6.198 19.715 -13.022 1.00 0.00 C ATOM 795 CD1 PHE A 50 -6.845 18.804 -12.246 1.00 0.00 C ATOM 796 CD2 PHE A 50 -6.860 20.810 -13.481 1.00 0.00 C ATOM 797 CE1 PHE A 50 -8.212 18.998 -11.915 1.00 0.00 C ATOM 798 CE2 PHE A 50 -8.227 21.003 -13.150 1.00 0.00 C ATOM 799 CZ PHE A 50 -8.874 20.093 -12.374 1.00 0.00 C ATOM 0 H PHE A 50 -2.448 18.845 -13.675 1.00 0.00 H new ATOM 0 HA PHE A 50 -4.757 17.332 -13.171 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -4.114 19.730 -12.503 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -4.443 20.219 -14.153 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -6.319 17.934 -11.882 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -6.346 21.533 -14.097 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -8.726 18.275 -11.298 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -8.753 21.873 -13.515 1.00 0.00 H new ATOM 0 HZ PHE A 50 -9.914 20.240 -12.122 1.00 0.00 H new ATOM 809 N GLU A 51 -4.623 18.622 -16.202 1.00 0.00 N ATOM 810 CA GLU A 51 -5.173 18.509 -17.542 1.00 0.00 C ATOM 811 C GLU A 51 -4.769 17.173 -18.170 1.00 0.00 C ATOM 812 O GLU A 51 -5.539 16.580 -18.925 1.00 0.00 O ATOM 813 CB GLU A 51 -4.729 19.682 -18.418 1.00 0.00 C ATOM 814 CG GLU A 51 -5.856 20.704 -18.578 1.00 0.00 C ATOM 815 CD GLU A 51 -5.724 21.465 -19.899 1.00 0.00 C ATOM 816 OE1 GLU A 51 -4.615 21.987 -20.144 1.00 0.00 O ATOM 817 OE2 GLU A 51 -6.735 21.507 -20.633 1.00 0.00 O ATOM 0 H GLU A 51 -3.887 19.321 -16.100 1.00 0.00 H new ATOM 0 HA GLU A 51 -6.260 18.542 -17.471 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.858 20.163 -17.974 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.425 19.314 -19.398 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.820 20.196 -18.542 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.835 21.407 -17.746 1.00 0.00 H new ATOM 824 N GLU A 52 -3.563 16.739 -17.836 1.00 0.00 N ATOM 825 CA GLU A 52 -3.048 15.484 -18.357 1.00 0.00 C ATOM 826 C GLU A 52 -3.878 14.311 -17.833 1.00 0.00 C ATOM 827 O GLU A 52 -4.380 13.503 -18.614 1.00 0.00 O ATOM 828 CB GLU A 52 -1.569 15.310 -18.005 1.00 0.00 C ATOM 829 CG GLU A 52 -1.025 13.993 -18.562 1.00 0.00 C ATOM 830 CD GLU A 52 0.014 13.385 -17.617 1.00 0.00 C ATOM 831 OE1 GLU A 52 -0.138 13.599 -16.395 1.00 0.00 O ATOM 832 OE2 GLU A 52 0.935 12.720 -18.138 1.00 0.00 O ATOM 0 H GLU A 52 -2.927 17.234 -17.211 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.129 15.504 -19.444 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.995 16.144 -18.408 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.444 15.330 -16.922 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.845 13.290 -18.708 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.575 14.166 -19.540 1.00 0.00 H new ATOM 839 N LEU A 53 -3.998 14.254 -16.515 1.00 0.00 N ATOM 840 CA LEU A 53 -4.759 13.193 -15.878 1.00 0.00 C ATOM 841 C LEU A 53 -6.179 13.177 -16.447 1.00 0.00 C ATOM 842 O LEU A 53 -6.668 12.134 -16.877 1.00 0.00 O ATOM 843 CB LEU A 53 -4.708 13.337 -14.355 1.00 0.00 C ATOM 844 CG LEU A 53 -3.313 13.326 -13.727 1.00 0.00 C ATOM 845 CD1 LEU A 53 -3.283 14.159 -12.444 1.00 0.00 C ATOM 846 CD2 LEU A 53 -2.828 11.894 -13.492 1.00 0.00 C ATOM 0 H LEU A 53 -3.581 14.926 -15.871 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.316 12.222 -16.098 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.201 14.270 -14.081 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.290 12.528 -13.914 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.619 13.789 -14.428 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.280 14.135 -12.018 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.555 15.189 -12.673 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.992 13.747 -11.726 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.834 11.915 -13.045 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.517 11.382 -12.820 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.787 11.363 -14.443 1.00 0.00 H new ATOM 858 N ASP A 54 -6.802 14.346 -16.429 1.00 0.00 N ATOM 859 CA ASP A 54 -8.156 14.480 -16.938 1.00 0.00 C ATOM 860 C ASP A 54 -8.145 14.311 -18.459 1.00 0.00 C ATOM 861 O ASP A 54 -7.089 14.384 -19.087 1.00 0.00 O ATOM 862 CB ASP A 54 -8.730 15.863 -16.621 1.00 0.00 C ATOM 863 CG ASP A 54 -10.208 16.046 -16.972 1.00 0.00 C ATOM 864 OD1 ASP A 54 -10.970 15.084 -16.738 1.00 0.00 O ATOM 865 OD2 ASP A 54 -10.541 17.144 -17.467 1.00 0.00 O ATOM 0 H ASP A 54 -6.394 15.209 -16.070 1.00 0.00 H new ATOM 0 HA ASP A 54 -8.771 13.716 -16.462 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.598 16.059 -15.557 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.149 16.613 -17.158 1.00 0.00 H new ATOM 870 N LYS A 55 -9.330 14.088 -19.007 1.00 0.00 N ATOM 871 CA LYS A 55 -9.469 13.908 -20.442 1.00 0.00 C ATOM 872 C LYS A 55 -10.947 13.710 -20.785 1.00 0.00 C ATOM 873 O LYS A 55 -11.419 14.191 -21.814 1.00 0.00 O ATOM 874 CB LYS A 55 -8.567 12.773 -20.929 1.00 0.00 C ATOM 875 CG LYS A 55 -8.786 11.505 -20.103 1.00 0.00 C ATOM 876 CD LYS A 55 -9.142 10.319 -21.002 1.00 0.00 C ATOM 877 CE LYS A 55 -10.270 9.486 -20.390 1.00 0.00 C ATOM 878 NZ LYS A 55 -10.698 8.425 -21.329 1.00 0.00 N ATOM 0 H LYS A 55 -10.203 14.028 -18.483 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.135 14.799 -20.973 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.772 12.567 -21.980 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.523 13.079 -20.862 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.884 11.277 -19.534 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.585 11.671 -19.381 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.444 10.681 -21.985 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.262 9.693 -21.150 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.933 9.038 -19.455 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.116 10.130 -20.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.464 7.869 -20.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.038 8.859 -22.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.893 7.801 -21.538 1.00 0.00 H new ATOM 892 N ASN A 56 -11.636 13.000 -19.904 1.00 0.00 N ATOM 893 CA ASN A 56 -13.051 12.732 -20.102 1.00 0.00 C ATOM 894 C ASN A 56 -13.806 14.058 -20.213 1.00 0.00 C ATOM 895 O ASN A 56 -14.942 14.091 -20.683 1.00 0.00 O ATOM 896 CB ASN A 56 -13.634 11.953 -18.921 1.00 0.00 C ATOM 897 CG ASN A 56 -12.687 10.834 -18.481 1.00 0.00 C ATOM 898 OD1 ASN A 56 -11.573 11.066 -18.041 1.00 0.00 O ATOM 899 ND2 ASN A 56 -13.192 9.612 -18.622 1.00 0.00 N ATOM 0 H ASN A 56 -11.241 12.602 -19.052 1.00 0.00 H new ATOM 0 HA ASN A 56 -13.159 12.142 -21.012 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -13.814 12.631 -18.087 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -14.598 11.529 -19.201 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -12.639 8.798 -18.355 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -14.132 9.489 -18.997 1.00 0.00 H new ATOM 906 N GLY A 57 -13.145 15.118 -19.772 1.00 0.00 N ATOM 907 CA GLY A 57 -13.739 16.443 -19.816 1.00 0.00 C ATOM 908 C GLY A 57 -14.862 16.574 -18.785 1.00 0.00 C ATOM 909 O GLY A 57 -16.021 16.775 -19.146 1.00 0.00 O ATOM 0 H GLY A 57 -12.203 15.086 -19.382 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -12.974 17.195 -19.623 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -14.132 16.636 -20.814 1.00 0.00 H new ATOM 913 N ASP A 58 -14.479 16.456 -17.522 1.00 0.00 N ATOM 914 CA ASP A 58 -15.439 16.559 -16.437 1.00 0.00 C ATOM 915 C ASP A 58 -14.857 17.439 -15.329 1.00 0.00 C ATOM 916 O ASP A 58 -15.502 18.386 -14.880 1.00 0.00 O ATOM 917 CB ASP A 58 -15.743 15.184 -15.837 1.00 0.00 C ATOM 918 CG ASP A 58 -16.099 14.099 -16.856 1.00 0.00 C ATOM 919 OD1 ASP A 58 -16.918 14.406 -17.749 1.00 0.00 O ATOM 920 OD2 ASP A 58 -15.544 12.988 -16.718 1.00 0.00 O ATOM 0 H ASP A 58 -13.517 16.290 -17.226 1.00 0.00 H new ATOM 0 HA ASP A 58 -16.357 16.988 -16.839 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.876 14.854 -15.265 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -16.569 15.286 -15.133 1.00 0.00 H new ATOM 925 N GLY A 59 -13.645 17.096 -14.920 1.00 0.00 N ATOM 926 CA GLY A 59 -12.968 17.844 -13.874 1.00 0.00 C ATOM 927 C GLY A 59 -12.652 16.946 -12.676 1.00 0.00 C ATOM 928 O GLY A 59 -12.206 17.428 -11.635 1.00 0.00 O ATOM 0 H GLY A 59 -13.114 16.310 -15.294 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -12.045 18.271 -14.266 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -13.594 18.677 -13.554 1.00 0.00 H new ATOM 932 N GLU A 60 -12.896 15.657 -12.862 1.00 0.00 N ATOM 933 CA GLU A 60 -12.643 14.688 -11.809 1.00 0.00 C ATOM 934 C GLU A 60 -11.568 13.692 -12.252 1.00 0.00 C ATOM 935 O GLU A 60 -11.689 13.071 -13.307 1.00 0.00 O ATOM 936 CB GLU A 60 -13.930 13.964 -11.410 1.00 0.00 C ATOM 937 CG GLU A 60 -14.575 13.284 -12.619 1.00 0.00 C ATOM 938 CD GLU A 60 -15.936 12.689 -12.252 1.00 0.00 C ATOM 939 OE1 GLU A 60 -15.933 11.680 -11.514 1.00 0.00 O ATOM 940 OE2 GLU A 60 -16.948 13.257 -12.717 1.00 0.00 O ATOM 0 H GLU A 60 -13.266 15.261 -13.726 1.00 0.00 H new ATOM 0 HA GLU A 60 -12.278 15.221 -10.931 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -13.710 13.220 -10.644 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.630 14.675 -10.972 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -14.696 14.007 -13.426 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -13.919 12.497 -12.991 1.00 0.00 H new ATOM 947 N VAL A 61 -10.542 13.571 -11.423 1.00 0.00 N ATOM 948 CA VAL A 61 -9.447 12.661 -11.716 1.00 0.00 C ATOM 949 C VAL A 61 -9.653 11.357 -10.943 1.00 0.00 C ATOM 950 O VAL A 61 -8.762 10.913 -10.220 1.00 0.00 O ATOM 951 CB VAL A 61 -8.109 13.336 -11.405 1.00 0.00 C ATOM 952 CG1 VAL A 61 -6.964 12.321 -11.436 1.00 0.00 C ATOM 953 CG2 VAL A 61 -7.842 14.494 -12.369 1.00 0.00 C ATOM 0 H VAL A 61 -10.445 14.087 -10.549 1.00 0.00 H new ATOM 0 HA VAL A 61 -9.431 12.411 -12.777 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.166 13.746 -10.397 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.024 12.826 -11.212 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.145 11.545 -10.692 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.906 11.868 -12.426 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.885 14.956 -12.126 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.814 14.117 -13.391 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -8.637 15.235 -12.277 1.00 0.00 H new ATOM 963 N SER A 62 -10.832 10.781 -11.121 1.00 0.00 N ATOM 964 CA SER A 62 -11.166 9.536 -10.450 1.00 0.00 C ATOM 965 C SER A 62 -10.008 8.545 -10.578 1.00 0.00 C ATOM 966 O SER A 62 -9.113 8.734 -11.400 1.00 0.00 O ATOM 967 CB SER A 62 -12.450 8.930 -11.020 1.00 0.00 C ATOM 968 OG SER A 62 -13.052 9.775 -11.996 1.00 0.00 O ATOM 0 H SER A 62 -11.569 11.153 -11.720 1.00 0.00 H new ATOM 0 HA SER A 62 -11.336 9.751 -9.395 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.226 7.962 -11.468 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.157 8.751 -10.210 1.00 0.00 H new ATOM 0 HG SER A 62 -12.970 9.362 -12.881 1.00 0.00 H new ATOM 974 N PHE A 63 -10.063 7.509 -9.754 1.00 0.00 N ATOM 975 CA PHE A 63 -9.030 6.488 -9.765 1.00 0.00 C ATOM 976 C PHE A 63 -8.758 5.999 -11.189 1.00 0.00 C ATOM 977 O PHE A 63 -7.634 5.620 -11.515 1.00 0.00 O ATOM 978 CB PHE A 63 -9.549 5.317 -8.927 1.00 0.00 C ATOM 979 CG PHE A 63 -8.497 4.245 -8.637 1.00 0.00 C ATOM 980 CD1 PHE A 63 -8.121 3.379 -9.616 1.00 0.00 C ATOM 981 CD2 PHE A 63 -7.937 4.159 -7.400 1.00 0.00 C ATOM 982 CE1 PHE A 63 -7.144 2.384 -9.346 1.00 0.00 C ATOM 983 CE2 PHE A 63 -6.961 3.164 -7.131 1.00 0.00 C ATOM 984 CZ PHE A 63 -6.585 2.297 -8.110 1.00 0.00 C ATOM 0 H PHE A 63 -10.807 7.355 -9.074 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.101 6.894 -9.365 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -9.931 5.702 -7.981 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -10.389 4.856 -9.447 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -8.565 3.448 -10.598 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -8.235 4.847 -6.623 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -6.845 1.696 -10.123 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.517 3.095 -6.149 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.843 1.540 -7.905 1.00 0.00 H new ATOM 994 N GLU A 64 -9.805 6.024 -11.999 1.00 0.00 N ATOM 995 CA GLU A 64 -9.693 5.589 -13.381 1.00 0.00 C ATOM 996 C GLU A 64 -8.529 6.303 -14.070 1.00 0.00 C ATOM 997 O GLU A 64 -7.650 5.658 -14.640 1.00 0.00 O ATOM 998 CB GLU A 64 -11.003 5.820 -14.137 1.00 0.00 C ATOM 999 CG GLU A 64 -11.668 7.126 -13.696 1.00 0.00 C ATOM 1000 CD GLU A 64 -11.997 8.007 -14.902 1.00 0.00 C ATOM 1001 OE1 GLU A 64 -11.273 7.881 -15.913 1.00 0.00 O ATOM 1002 OE2 GLU A 64 -12.967 8.788 -14.786 1.00 0.00 O ATOM 0 H GLU A 64 -10.736 6.339 -11.725 1.00 0.00 H new ATOM 0 HA GLU A 64 -9.492 4.518 -13.389 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.808 5.851 -15.209 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.681 4.985 -13.961 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -12.581 6.905 -13.143 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -11.006 7.664 -13.017 1.00 0.00 H new ATOM 1009 N GLU A 65 -8.561 7.626 -13.996 1.00 0.00 N ATOM 1010 CA GLU A 65 -7.520 8.435 -14.606 1.00 0.00 C ATOM 1011 C GLU A 65 -6.218 8.312 -13.810 1.00 0.00 C ATOM 1012 O GLU A 65 -5.130 8.440 -14.370 1.00 0.00 O ATOM 1013 CB GLU A 65 -7.957 9.897 -14.719 1.00 0.00 C ATOM 1014 CG GLU A 65 -9.227 10.025 -15.562 1.00 0.00 C ATOM 1015 CD GLU A 65 -9.459 11.476 -15.987 1.00 0.00 C ATOM 1016 OE1 GLU A 65 -9.756 12.291 -15.087 1.00 0.00 O ATOM 1017 OE2 GLU A 65 -9.334 11.739 -17.203 1.00 0.00 O ATOM 0 H GLU A 65 -9.292 8.157 -13.523 1.00 0.00 H new ATOM 0 HA GLU A 65 -7.343 8.064 -15.616 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.134 10.306 -13.724 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -7.157 10.486 -15.168 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -9.147 9.392 -16.446 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.084 9.668 -14.991 1.00 0.00 H new ATOM 1024 N PHE A 66 -6.373 8.065 -12.518 1.00 0.00 N ATOM 1025 CA PHE A 66 -5.224 7.923 -11.640 1.00 0.00 C ATOM 1026 C PHE A 66 -4.313 6.786 -12.108 1.00 0.00 C ATOM 1027 O PHE A 66 -3.096 6.853 -11.945 1.00 0.00 O ATOM 1028 CB PHE A 66 -5.763 7.589 -10.248 1.00 0.00 C ATOM 1029 CG PHE A 66 -4.731 7.742 -9.128 1.00 0.00 C ATOM 1030 CD1 PHE A 66 -3.997 8.883 -9.031 1.00 0.00 C ATOM 1031 CD2 PHE A 66 -4.549 6.738 -8.230 1.00 0.00 C ATOM 1032 CE1 PHE A 66 -3.040 9.025 -7.992 1.00 0.00 C ATOM 1033 CE2 PHE A 66 -3.592 6.880 -7.191 1.00 0.00 C ATOM 1034 CZ PHE A 66 -2.857 8.021 -7.094 1.00 0.00 C ATOM 0 H PHE A 66 -7.277 7.960 -12.058 1.00 0.00 H new ATOM 0 HA PHE A 66 -4.640 8.843 -11.640 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -6.614 8.235 -10.034 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -6.133 6.564 -10.249 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.142 9.681 -9.744 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.132 5.832 -8.307 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.457 9.931 -7.915 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.447 6.082 -6.477 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.129 8.129 -6.304 1.00 0.00 H new ATOM 1044 N GLN A 67 -4.939 5.768 -12.680 1.00 0.00 N ATOM 1045 CA GLN A 67 -4.200 4.617 -13.173 1.00 0.00 C ATOM 1046 C GLN A 67 -3.202 5.048 -14.249 1.00 0.00 C ATOM 1047 O GLN A 67 -2.301 4.290 -14.605 1.00 0.00 O ATOM 1048 CB GLN A 67 -5.150 3.543 -13.705 1.00 0.00 C ATOM 1049 CG GLN A 67 -6.224 3.199 -12.671 1.00 0.00 C ATOM 1050 CD GLN A 67 -6.751 1.777 -12.880 1.00 0.00 C ATOM 1051 OE1 GLN A 67 -7.902 1.558 -13.219 1.00 0.00 O ATOM 1052 NE2 GLN A 67 -5.847 0.827 -12.658 1.00 0.00 N ATOM 0 H GLN A 67 -5.949 5.716 -12.813 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.643 4.184 -12.342 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -5.623 3.893 -14.623 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -4.585 2.646 -13.959 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -5.811 3.294 -11.667 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -7.047 3.910 -12.745 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -4.900 1.080 -12.376 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -6.101 -0.155 -12.770 1.00 0.00 H new ATOM 1061 N VAL A 68 -3.396 6.265 -14.738 1.00 0.00 N ATOM 1062 CA VAL A 68 -2.523 6.806 -15.766 1.00 0.00 C ATOM 1063 C VAL A 68 -1.227 7.300 -15.121 1.00 0.00 C ATOM 1064 O VAL A 68 -0.150 7.159 -15.697 1.00 0.00 O ATOM 1065 CB VAL A 68 -3.254 7.897 -16.551 1.00 0.00 C ATOM 1066 CG1 VAL A 68 -2.387 8.421 -17.698 1.00 0.00 C ATOM 1067 CG2 VAL A 68 -4.601 7.389 -17.070 1.00 0.00 C ATOM 0 H VAL A 68 -4.145 6.891 -14.441 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.253 6.032 -16.484 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.448 8.727 -15.871 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.930 9.195 -18.240 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.464 8.839 -17.295 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -2.148 7.602 -18.377 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.100 8.184 -17.624 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.439 6.535 -17.727 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.224 7.087 -16.229 1.00 0.00 H new ATOM 1077 N LEU A 69 -1.375 7.870 -13.934 1.00 0.00 N ATOM 1078 CA LEU A 69 -0.229 8.387 -13.204 1.00 0.00 C ATOM 1079 C LEU A 69 0.506 7.227 -12.530 1.00 0.00 C ATOM 1080 O LEU A 69 1.711 7.302 -12.298 1.00 0.00 O ATOM 1081 CB LEU A 69 -0.663 9.487 -12.234 1.00 0.00 C ATOM 1082 CG LEU A 69 0.398 10.533 -11.887 1.00 0.00 C ATOM 1083 CD1 LEU A 69 0.985 11.158 -13.154 1.00 0.00 C ATOM 1084 CD2 LEU A 69 -0.165 11.590 -10.934 1.00 0.00 C ATOM 0 H LEU A 69 -2.271 7.985 -13.460 1.00 0.00 H new ATOM 0 HA LEU A 69 0.477 8.858 -13.888 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.525 10.000 -12.660 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.997 9.017 -11.309 1.00 0.00 H new ATOM 0 HG LEU A 69 1.214 10.033 -11.366 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.737 11.898 -12.880 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.446 10.381 -13.763 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.191 11.641 -13.723 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.610 12.321 -10.703 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.010 12.092 -11.406 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.497 11.110 -10.013 1.00 0.00 H new ATOM 1096 N VAL A 70 -0.252 6.181 -12.234 1.00 0.00 N ATOM 1097 CA VAL A 70 0.313 5.006 -11.591 1.00 0.00 C ATOM 1098 C VAL A 70 1.563 4.563 -12.354 1.00 0.00 C ATOM 1099 O VAL A 70 2.465 3.958 -11.776 1.00 0.00 O ATOM 1100 CB VAL A 70 -0.746 3.906 -11.488 1.00 0.00 C ATOM 1101 CG1 VAL A 70 -0.099 2.520 -11.500 1.00 0.00 C ATOM 1102 CG2 VAL A 70 -1.614 4.096 -10.242 1.00 0.00 C ATOM 0 H VAL A 70 -1.252 6.123 -12.427 1.00 0.00 H new ATOM 0 HA VAL A 70 0.621 5.239 -10.572 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.394 3.981 -12.362 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.873 1.756 -11.426 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.456 2.385 -12.429 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.582 2.429 -10.654 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.358 3.301 -10.193 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.986 4.061 -9.352 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.117 5.062 -10.293 1.00 0.00 H new ATOM 1112 N LYS A 71 1.576 4.881 -13.640 1.00 0.00 N ATOM 1113 CA LYS A 71 2.700 4.523 -14.488 1.00 0.00 C ATOM 1114 C LYS A 71 3.908 5.385 -14.115 1.00 0.00 C ATOM 1115 O LYS A 71 5.016 4.872 -13.958 1.00 0.00 O ATOM 1116 CB LYS A 71 2.309 4.618 -15.964 1.00 0.00 C ATOM 1117 CG LYS A 71 3.008 3.533 -16.787 1.00 0.00 C ATOM 1118 CD LYS A 71 3.317 4.031 -18.200 1.00 0.00 C ATOM 1119 CE LYS A 71 2.044 4.105 -19.046 1.00 0.00 C ATOM 1120 NZ LYS A 71 2.178 3.267 -20.258 1.00 0.00 N ATOM 0 H LYS A 71 0.826 5.383 -14.115 1.00 0.00 H new ATOM 0 HA LYS A 71 2.986 3.484 -14.324 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.228 4.517 -16.065 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.575 5.601 -16.352 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.932 3.235 -16.292 1.00 0.00 H new ATOM 0 HG3 LYS A 71 2.375 2.647 -16.840 1.00 0.00 H new ATOM 0 HD2 LYS A 71 3.782 5.016 -18.149 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.036 3.364 -18.676 1.00 0.00 H new ATOM 0 HE2 LYS A 71 1.189 3.770 -18.458 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.849 5.139 -19.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.306 3.329 -20.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.981 3.604 -20.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.342 2.278 -19.980 1.00 0.00 H new ATOM 1134 N LYS A 72 3.655 6.679 -13.985 1.00 0.00 N ATOM 1135 CA LYS A 72 4.708 7.616 -13.634 1.00 0.00 C ATOM 1136 C LYS A 72 5.089 7.422 -12.165 1.00 0.00 C ATOM 1137 O LYS A 72 6.151 7.867 -11.731 1.00 0.00 O ATOM 1138 CB LYS A 72 4.289 9.047 -13.977 1.00 0.00 C ATOM 1139 CG LYS A 72 4.149 9.230 -15.490 1.00 0.00 C ATOM 1140 CD LYS A 72 5.517 9.196 -16.175 1.00 0.00 C ATOM 1141 CE LYS A 72 5.558 10.156 -17.365 1.00 0.00 C ATOM 1142 NZ LYS A 72 6.453 9.634 -18.421 1.00 0.00 N ATOM 0 H LYS A 72 2.736 7.101 -14.117 1.00 0.00 H new ATOM 0 HA LYS A 72 5.603 7.421 -14.224 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.342 9.279 -13.490 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.027 9.749 -13.589 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.514 8.443 -15.898 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.656 10.179 -15.701 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.293 9.466 -15.459 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.733 8.183 -16.513 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.553 10.291 -17.766 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.905 11.136 -17.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.469 10.298 -19.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.415 9.528 -18.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.105 8.709 -18.745 1.00 0.00 H new ATOM 1156 N ILE A 73 4.201 6.758 -11.440 1.00 0.00 N ATOM 1157 CA ILE A 73 4.431 6.499 -10.028 1.00 0.00 C ATOM 1158 C ILE A 73 5.437 5.356 -9.881 1.00 0.00 C ATOM 1159 O ILE A 73 6.323 5.410 -9.029 1.00 0.00 O ATOM 1160 CB ILE A 73 3.105 6.249 -9.307 1.00 0.00 C ATOM 1161 CG1 ILE A 73 2.402 7.568 -8.980 1.00 0.00 C ATOM 1162 CG2 ILE A 73 3.314 5.387 -8.060 1.00 0.00 C ATOM 1163 CD1 ILE A 73 0.994 7.318 -8.435 1.00 0.00 C ATOM 0 H ILE A 73 3.321 6.391 -11.803 1.00 0.00 H new ATOM 0 HA ILE A 73 4.869 7.373 -9.546 1.00 0.00 H new ATOM 0 HB ILE A 73 2.450 5.693 -9.978 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.986 8.124 -8.247 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.345 8.186 -9.876 1.00 0.00 H new ATOM 0 HG21 ILE A 73 2.356 5.224 -7.566 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.741 4.427 -8.349 1.00 0.00 H new ATOM 0 HG23 ILE A 73 3.993 5.895 -7.376 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.516 8.272 -8.211 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.405 6.783 -9.180 1.00 0.00 H new ATOM 0 HD13 ILE A 73 1.057 6.721 -7.525 1.00 0.00 H new ATOM 1175 N SER A 74 5.267 4.348 -10.723 1.00 0.00 N ATOM 1176 CA SER A 74 6.149 3.193 -10.697 1.00 0.00 C ATOM 1177 C SER A 74 7.524 3.573 -11.249 1.00 0.00 C ATOM 1178 O SER A 74 8.549 3.194 -10.685 1.00 0.00 O ATOM 1179 CB SER A 74 5.558 2.031 -11.497 1.00 0.00 C ATOM 1180 OG SER A 74 6.010 0.768 -11.016 1.00 0.00 O ATOM 0 H SER A 74 4.531 4.307 -11.428 1.00 0.00 H new ATOM 0 HA SER A 74 6.257 2.868 -9.662 1.00 0.00 H new ATOM 0 HB2 SER A 74 4.470 2.071 -11.444 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.831 2.138 -12.547 1.00 0.00 H new ATOM 0 HG SER A 74 5.609 0.052 -11.551 1.00 0.00 H new ATOM 1186 N GLN A 75 7.502 4.316 -12.346 1.00 0.00 N ATOM 1187 CA GLN A 75 8.734 4.751 -12.981 1.00 0.00 C ATOM 1188 C GLN A 75 9.399 5.852 -12.151 1.00 0.00 C ATOM 1189 O GLN A 75 10.456 5.636 -11.561 1.00 0.00 O ATOM 1190 CB GLN A 75 8.476 5.224 -14.413 1.00 0.00 C ATOM 1191 CG GLN A 75 9.562 4.713 -15.362 1.00 0.00 C ATOM 1192 CD GLN A 75 9.686 3.190 -15.285 1.00 0.00 C ATOM 1193 OE1 GLN A 75 10.745 2.640 -15.034 1.00 0.00 O ATOM 1194 NE2 GLN A 75 8.547 2.543 -15.516 1.00 0.00 N ATOM 0 H GLN A 75 6.650 4.628 -12.811 1.00 0.00 H new ATOM 0 HA GLN A 75 9.414 3.900 -13.032 1.00 0.00 H new ATOM 0 HB2 GLN A 75 7.500 4.870 -14.747 1.00 0.00 H new ATOM 0 HB3 GLN A 75 8.447 6.313 -14.441 1.00 0.00 H new ATOM 0 HG2 GLN A 75 9.327 5.011 -16.384 1.00 0.00 H new ATOM 0 HG3 GLN A 75 10.517 5.172 -15.108 1.00 0.00 H new ATOM 0 HE21 GLN A 75 7.696 3.066 -15.720 1.00 0.00 H new ATOM 0 HE22 GLN A 75 8.525 1.524 -15.489 1.00 0.00 H new