USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 500 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 Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0192 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -1.51 K(o=-1.5,f=-2.5!) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -132:sc= -0.0151 (180deg=-0.544) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 LYS NZ :NH3+ -144:sc= -0.446 (180deg=-0.713) USER MOD ----------------------------------------------------------------- ATOM 98 N GLU A 56 1.477 9.520 -0.728 1.00 0.00 N ATOM 99 CA GLU A 56 1.640 8.086 -0.952 1.00 0.00 C ATOM 100 C GLU A 56 1.919 7.369 0.365 1.00 0.00 C ATOM 101 O GLU A 56 2.703 7.837 1.190 1.00 0.00 O ATOM 102 CB GLU A 56 2.798 7.822 -1.918 1.00 0.00 C ATOM 103 CG GLU A 56 2.574 8.607 -3.211 1.00 0.00 C ATOM 104 CD GLU A 56 3.906 8.791 -3.932 1.00 0.00 C ATOM 105 OE1 GLU A 56 4.689 7.855 -3.937 1.00 0.00 O ATOM 106 OE2 GLU A 56 4.123 9.865 -4.469 1.00 0.00 O ATOM 0 HA GLU A 56 0.714 7.706 -1.384 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.742 8.117 -1.460 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.869 6.756 -2.135 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.871 8.077 -3.853 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.132 9.578 -2.988 1.00 0.00 H new ATOM 113 N ILE A 57 1.269 6.224 0.550 1.00 0.00 N ATOM 114 CA ILE A 57 1.452 5.442 1.769 1.00 0.00 C ATOM 115 C ILE A 57 2.724 4.590 1.665 1.00 0.00 C ATOM 116 O ILE A 57 2.782 3.659 0.862 1.00 0.00 O ATOM 117 CB ILE A 57 0.252 4.518 1.998 1.00 0.00 C ATOM 118 CG1 ILE A 57 -1.041 5.337 1.953 1.00 0.00 C ATOM 119 CG2 ILE A 57 0.377 3.844 3.365 1.00 0.00 C ATOM 120 CD1 ILE A 57 -2.233 4.398 1.760 1.00 0.00 C ATOM 0 H ILE A 57 0.617 5.819 -0.122 1.00 0.00 H new ATOM 0 HA ILE A 57 1.541 6.134 2.606 1.00 0.00 H new ATOM 0 HB ILE A 57 0.229 3.757 1.218 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.157 5.904 2.877 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.998 6.060 1.138 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.478 3.187 3.526 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.296 3.259 3.400 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.402 4.605 4.145 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.154 4.981 1.728 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.117 3.851 0.825 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.279 3.693 2.590 1.00 0.00 H new ATOM 132 N PRO A 58 3.757 4.890 2.467 1.00 0.00 N ATOM 133 CA PRO A 58 5.016 4.128 2.436 1.00 0.00 C ATOM 134 C PRO A 58 4.860 2.725 3.016 1.00 0.00 C ATOM 135 O PRO A 58 4.352 2.547 4.123 1.00 0.00 O ATOM 136 CB PRO A 58 5.972 4.957 3.292 1.00 0.00 C ATOM 137 CG PRO A 58 5.092 5.735 4.208 1.00 0.00 C ATOM 138 CD PRO A 58 3.809 5.975 3.466 1.00 0.00 C ATOM 0 HA PRO A 58 5.368 3.978 1.415 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.657 4.319 3.850 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.582 5.617 2.676 1.00 0.00 H new ATOM 0 HG2 PRO A 58 4.909 5.184 5.131 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.561 6.679 4.488 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.950 5.941 4.136 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.803 6.955 2.989 1.00 0.00 H new ATOM 146 N ALA A 59 5.304 1.730 2.252 1.00 0.00 N ATOM 147 CA ALA A 59 5.209 0.342 2.695 1.00 0.00 C ATOM 148 C ALA A 59 6.026 0.130 3.972 1.00 0.00 C ATOM 149 O ALA A 59 7.045 0.787 4.179 1.00 0.00 O ATOM 150 CB ALA A 59 5.730 -0.602 1.609 1.00 0.00 C ATOM 0 H ALA A 59 5.729 1.856 1.333 1.00 0.00 H new ATOM 0 HA ALA A 59 4.160 0.124 2.895 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.652 -1.633 1.955 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.136 -0.478 0.703 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.773 -0.369 1.394 1.00 0.00 H new ATOM 156 N PRO A 60 5.589 -0.790 4.843 1.00 0.00 N ATOM 157 CA PRO A 60 6.294 -1.078 6.101 1.00 0.00 C ATOM 158 C PRO A 60 7.604 -1.829 5.878 1.00 0.00 C ATOM 159 O PRO A 60 8.534 -1.735 6.679 1.00 0.00 O ATOM 160 CB PRO A 60 5.310 -1.945 6.884 1.00 0.00 C ATOM 161 CG PRO A 60 4.447 -2.582 5.850 1.00 0.00 C ATOM 162 CD PRO A 60 4.385 -1.630 4.691 1.00 0.00 C ATOM 0 HA PRO A 60 6.576 -0.162 6.620 1.00 0.00 H new ATOM 0 HB2 PRO A 60 5.832 -2.695 7.479 1.00 0.00 H new ATOM 0 HB3 PRO A 60 4.719 -1.344 7.576 1.00 0.00 H new ATOM 0 HG2 PRO A 60 4.860 -3.542 5.540 1.00 0.00 H new ATOM 0 HG3 PRO A 60 3.450 -2.776 6.245 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.389 -2.161 3.739 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.475 -1.030 4.718 1.00 0.00 H new ATOM 170 N LEU A 61 7.667 -2.577 4.779 1.00 0.00 N ATOM 171 CA LEU A 61 8.870 -3.342 4.459 1.00 0.00 C ATOM 172 C LEU A 61 8.851 -3.777 2.997 1.00 0.00 C ATOM 173 O LEU A 61 7.833 -3.666 2.313 1.00 0.00 O ATOM 174 CB LEU A 61 8.966 -4.583 5.347 1.00 0.00 C ATOM 175 CG LEU A 61 7.742 -5.504 5.327 1.00 0.00 C ATOM 176 CD1 LEU A 61 7.929 -6.581 4.255 1.00 0.00 C ATOM 177 CD2 LEU A 61 7.581 -6.171 6.696 1.00 0.00 C ATOM 0 H LEU A 61 6.909 -2.670 4.102 1.00 0.00 H new ATOM 0 HA LEU A 61 9.734 -2.701 4.636 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.839 -5.160 5.042 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.140 -4.261 6.374 1.00 0.00 H new ATOM 0 HG LEU A 61 6.852 -4.917 5.101 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.058 -7.236 4.241 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.043 -6.108 3.280 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.820 -7.167 4.480 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.710 -6.826 6.681 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.472 -6.757 6.922 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.446 -5.405 7.460 1.00 0.00 H new ATOM 189 N ALA A 62 9.992 -4.272 2.526 1.00 0.00 N ATOM 190 CA ALA A 62 10.102 -4.723 1.140 1.00 0.00 C ATOM 191 C ALA A 62 9.613 -6.161 1.006 1.00 0.00 C ATOM 192 O ALA A 62 10.315 -7.107 1.366 1.00 0.00 O ATOM 193 CB ALA A 62 11.554 -4.645 0.664 1.00 0.00 C ATOM 0 H ALA A 62 10.846 -4.371 3.076 1.00 0.00 H new ATOM 0 HA ALA A 62 9.483 -4.070 0.525 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.617 -4.985 -0.370 1.00 0.00 H new ATOM 0 HB2 ALA A 62 11.903 -3.615 0.729 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.178 -5.280 1.293 1.00 0.00 H new ATOM 199 N GLY A 63 8.400 -6.314 0.483 1.00 0.00 N ATOM 200 CA GLY A 63 7.820 -7.643 0.302 1.00 0.00 C ATOM 201 C GLY A 63 7.200 -7.775 -1.084 1.00 0.00 C ATOM 202 O GLY A 63 7.745 -7.287 -2.074 1.00 0.00 O ATOM 0 H GLY A 63 7.804 -5.544 0.180 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.590 -8.403 0.435 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.061 -7.821 1.064 1.00 0.00 H new ATOM 206 N THR A 64 6.051 -8.445 -1.143 1.00 0.00 N ATOM 207 CA THR A 64 5.359 -8.639 -2.415 1.00 0.00 C ATOM 208 C THR A 64 3.861 -8.413 -2.244 1.00 0.00 C ATOM 209 O THR A 64 3.274 -8.785 -1.229 1.00 0.00 O ATOM 210 CB THR A 64 5.594 -10.056 -2.942 1.00 0.00 C ATOM 211 OG1 THR A 64 6.981 -10.357 -2.882 1.00 0.00 O ATOM 212 CG2 THR A 64 5.111 -10.151 -4.390 1.00 0.00 C ATOM 0 H THR A 64 5.584 -8.858 -0.336 1.00 0.00 H new ATOM 0 HA THR A 64 5.756 -7.918 -3.129 1.00 0.00 H new ATOM 0 HB THR A 64 5.040 -10.768 -2.330 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.134 -11.265 -3.218 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.279 -11.161 -4.764 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.047 -9.920 -4.434 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.663 -9.440 -5.005 1.00 0.00 H new ATOM 220 N VAL A 65 3.247 -7.800 -3.253 1.00 0.00 N ATOM 221 CA VAL A 65 1.813 -7.530 -3.207 1.00 0.00 C ATOM 222 C VAL A 65 1.029 -8.828 -3.373 1.00 0.00 C ATOM 223 O VAL A 65 1.302 -9.626 -4.269 1.00 0.00 O ATOM 224 CB VAL A 65 1.409 -6.556 -4.317 1.00 0.00 C ATOM 225 CG1 VAL A 65 -0.055 -6.150 -4.137 1.00 0.00 C ATOM 226 CG2 VAL A 65 2.291 -5.305 -4.248 1.00 0.00 C ATOM 0 H VAL A 65 3.714 -7.484 -4.103 1.00 0.00 H new ATOM 0 HA VAL A 65 1.584 -7.083 -2.239 1.00 0.00 H new ATOM 0 HB VAL A 65 1.537 -7.042 -5.284 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.340 -5.457 -4.928 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.687 -7.037 -4.186 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.182 -5.667 -3.168 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.003 -4.612 -5.039 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.163 -4.823 -3.279 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.335 -5.589 -4.377 1.00 0.00 H new ATOM 236 N SER A 66 0.050 -9.031 -2.495 1.00 0.00 N ATOM 237 CA SER A 66 -0.769 -10.239 -2.550 1.00 0.00 C ATOM 238 C SER A 66 -2.116 -9.942 -3.201 1.00 0.00 C ATOM 239 O SER A 66 -2.515 -10.599 -4.163 1.00 0.00 O ATOM 240 CB SER A 66 -1.007 -10.789 -1.144 1.00 0.00 C ATOM 241 OG SER A 66 0.116 -10.488 -0.327 1.00 0.00 O ATOM 0 H SER A 66 -0.194 -8.383 -1.746 1.00 0.00 H new ATOM 0 HA SER A 66 -0.234 -10.980 -3.144 1.00 0.00 H new ATOM 0 HB2 SER A 66 -1.910 -10.351 -0.718 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.164 -11.867 -1.184 1.00 0.00 H new ATOM 0 HG SER A 66 -0.033 -10.838 0.576 1.00 0.00 H new ATOM 247 N LYS A 67 -2.814 -8.946 -2.663 1.00 0.00 N ATOM 248 CA LYS A 67 -4.120 -8.571 -3.198 1.00 0.00 C ATOM 249 C LYS A 67 -4.441 -7.117 -2.861 1.00 0.00 C ATOM 250 O LYS A 67 -4.053 -6.607 -1.810 1.00 0.00 O ATOM 251 CB LYS A 67 -5.213 -9.472 -2.615 1.00 0.00 C ATOM 252 CG LYS A 67 -6.543 -9.184 -3.315 1.00 0.00 C ATOM 253 CD LYS A 67 -7.390 -10.458 -3.348 1.00 0.00 C ATOM 254 CE LYS A 67 -8.851 -10.094 -3.619 1.00 0.00 C ATOM 255 NZ LYS A 67 -9.634 -11.281 -4.065 1.00 0.00 N ATOM 0 H LYS A 67 -2.503 -8.390 -1.867 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.087 -8.691 -4.281 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.942 -10.520 -2.744 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.309 -9.297 -1.543 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.078 -8.393 -2.790 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.362 -8.828 -4.329 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.023 -11.131 -4.122 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.306 -10.988 -2.399 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.298 -9.680 -2.715 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.898 -9.317 -4.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.620 -11.001 -4.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.221 -11.660 -4.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.608 -12.012 -3.325 1.00 0.00 H new ATOM 269 N ILE A 68 -5.160 -6.462 -3.767 1.00 0.00 N ATOM 270 CA ILE A 68 -5.541 -5.067 -3.562 1.00 0.00 C ATOM 271 C ILE A 68 -6.987 -4.987 -3.078 1.00 0.00 C ATOM 272 O ILE A 68 -7.884 -5.601 -3.655 1.00 0.00 O ATOM 273 CB ILE A 68 -5.401 -4.273 -4.866 1.00 0.00 C ATOM 274 CG1 ILE A 68 -3.984 -4.445 -5.424 1.00 0.00 C ATOM 275 CG2 ILE A 68 -5.659 -2.788 -4.596 1.00 0.00 C ATOM 276 CD1 ILE A 68 -4.033 -4.438 -6.953 1.00 0.00 C ATOM 0 H ILE A 68 -5.489 -6.869 -4.643 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.878 -4.638 -2.811 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.127 -4.644 -5.590 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.341 -3.641 -5.067 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.553 -5.380 -5.068 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.559 -2.227 -5.525 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.667 -2.660 -4.201 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.935 -2.419 -3.869 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.025 -4.560 -7.350 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.662 -5.258 -7.301 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.447 -3.491 -7.299 1.00 0.00 H new ATOM 288 N LEU A 69 -7.200 -4.226 -2.009 1.00 0.00 N ATOM 289 CA LEU A 69 -8.541 -4.077 -1.451 1.00 0.00 C ATOM 290 C LEU A 69 -9.155 -2.746 -1.872 1.00 0.00 C ATOM 291 O LEU A 69 -10.335 -2.671 -2.214 1.00 0.00 O ATOM 292 CB LEU A 69 -8.495 -4.141 0.076 1.00 0.00 C ATOM 293 CG LEU A 69 -8.046 -5.480 0.664 1.00 0.00 C ATOM 294 CD1 LEU A 69 -7.719 -5.303 2.148 1.00 0.00 C ATOM 295 CD2 LEU A 69 -9.170 -6.506 0.509 1.00 0.00 C ATOM 0 H LEU A 69 -6.472 -3.709 -1.516 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.153 -4.894 -1.833 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.822 -3.362 0.435 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.487 -3.908 0.462 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.158 -5.829 0.136 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.399 -6.257 2.566 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.919 -4.571 2.259 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.606 -4.954 2.677 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.851 -7.461 0.928 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.057 -6.156 1.037 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.403 -6.633 -0.548 1.00 0.00 H new ATOM 307 N VAL A 70 -8.341 -1.694 -1.840 1.00 0.00 N ATOM 308 CA VAL A 70 -8.818 -0.366 -2.217 1.00 0.00 C ATOM 309 C VAL A 70 -8.540 -0.090 -3.691 1.00 0.00 C ATOM 310 O VAL A 70 -7.572 -0.592 -4.262 1.00 0.00 O ATOM 311 CB VAL A 70 -8.134 0.708 -1.367 1.00 0.00 C ATOM 312 CG1 VAL A 70 -8.515 0.512 0.101 1.00 0.00 C ATOM 313 CG2 VAL A 70 -6.614 0.594 -1.515 1.00 0.00 C ATOM 0 H VAL A 70 -7.361 -1.733 -1.561 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.894 -0.336 -2.045 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.457 1.693 -1.703 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.029 1.276 0.708 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.596 0.595 0.210 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.192 -0.475 0.432 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.131 1.360 -0.909 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.289 -0.391 -1.181 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.339 0.732 -2.561 1.00 0.00 H new ATOM 323 N LYS A 71 -9.404 0.718 -4.299 1.00 0.00 N ATOM 324 CA LYS A 71 -9.248 1.063 -5.709 1.00 0.00 C ATOM 325 C LYS A 71 -9.461 2.558 -5.913 1.00 0.00 C ATOM 326 O LYS A 71 -10.030 3.241 -5.061 1.00 0.00 O ATOM 327 CB LYS A 71 -10.255 0.292 -6.565 1.00 0.00 C ATOM 328 CG LYS A 71 -11.668 0.521 -6.026 1.00 0.00 C ATOM 329 CD LYS A 71 -12.692 0.094 -7.080 1.00 0.00 C ATOM 330 CE LYS A 71 -12.955 -1.408 -6.958 1.00 0.00 C ATOM 331 NZ LYS A 71 -13.899 -1.882 -8.009 1.00 0.00 N ATOM 0 H LYS A 71 -10.212 1.143 -3.843 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.237 0.794 -6.014 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.193 0.621 -7.602 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.018 -0.772 -6.553 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.815 -0.049 -5.109 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.807 1.572 -5.774 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -13.621 0.649 -6.946 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -12.322 0.329 -8.078 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.014 -1.952 -7.040 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.365 -1.628 -5.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -14.056 -2.904 -7.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -14.805 -1.380 -7.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -13.495 -1.693 -8.949 1.00 0.00 H new ATOM 345 N GLU A 72 -8.997 3.061 -7.054 1.00 0.00 N ATOM 346 CA GLU A 72 -9.141 4.482 -7.364 1.00 0.00 C ATOM 347 C GLU A 72 -10.615 4.871 -7.420 1.00 0.00 C ATOM 348 O GLU A 72 -11.280 4.695 -8.441 1.00 0.00 O ATOM 349 CB GLU A 72 -8.489 4.806 -8.711 1.00 0.00 C ATOM 350 CG GLU A 72 -6.979 4.573 -8.620 1.00 0.00 C ATOM 351 CD GLU A 72 -6.644 3.179 -9.141 1.00 0.00 C ATOM 352 OE1 GLU A 72 -6.985 2.219 -8.470 1.00 0.00 O ATOM 353 OE2 GLU A 72 -6.049 3.093 -10.202 1.00 0.00 O ATOM 0 H GLU A 72 -8.523 2.514 -7.772 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.646 5.048 -6.575 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.917 4.180 -9.494 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.692 5.841 -8.985 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.449 5.327 -9.202 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.647 4.676 -7.587 1.00 0.00 H new ATOM 360 N GLY A 73 -11.116 5.404 -6.310 1.00 0.00 N ATOM 361 CA GLY A 73 -12.515 5.818 -6.240 1.00 0.00 C ATOM 362 C GLY A 73 -13.120 5.462 -4.887 1.00 0.00 C ATOM 363 O GLY A 73 -14.007 6.154 -4.386 1.00 0.00 O ATOM 0 H GLY A 73 -10.582 5.559 -5.455 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.589 6.893 -6.405 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.082 5.334 -7.035 1.00 0.00 H new ATOM 367 N ASP A 74 -12.632 4.373 -4.299 1.00 0.00 N ATOM 368 CA ASP A 74 -13.134 3.933 -3.000 1.00 0.00 C ATOM 369 C ASP A 74 -12.503 4.752 -1.880 1.00 0.00 C ATOM 370 O ASP A 74 -11.351 5.176 -1.973 1.00 0.00 O ATOM 371 CB ASP A 74 -12.816 2.453 -2.775 1.00 0.00 C ATOM 372 CG ASP A 74 -13.679 1.601 -3.698 1.00 0.00 C ATOM 373 OD1 ASP A 74 -13.861 1.995 -4.838 1.00 0.00 O ATOM 374 OD2 ASP A 74 -14.146 0.565 -3.251 1.00 0.00 O ATOM 0 H ASP A 74 -11.899 3.785 -4.695 1.00 0.00 H new ATOM 0 HA ASP A 74 -14.214 4.077 -2.991 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.760 2.263 -2.969 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -13.002 2.184 -1.735 1.00 0.00 H new ATOM 379 N THR A 75 -13.273 4.970 -0.817 1.00 0.00 N ATOM 380 CA THR A 75 -12.783 5.741 0.321 1.00 0.00 C ATOM 381 C THR A 75 -12.245 4.809 1.402 1.00 0.00 C ATOM 382 O THR A 75 -12.808 3.746 1.662 1.00 0.00 O ATOM 383 CB THR A 75 -13.905 6.597 0.913 1.00 0.00 C ATOM 384 OG1 THR A 75 -14.620 7.230 -0.140 1.00 0.00 O ATOM 385 CG2 THR A 75 -13.308 7.658 1.837 1.00 0.00 C ATOM 0 H THR A 75 -14.229 4.628 -0.720 1.00 0.00 H new ATOM 0 HA THR A 75 -11.982 6.390 -0.032 1.00 0.00 H new ATOM 0 HB THR A 75 -14.583 5.963 1.484 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.340 7.777 0.237 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.109 8.266 2.257 1.00 0.00 H new ATOM 0 HG22 THR A 75 -12.760 7.171 2.644 1.00 0.00 H new ATOM 0 HG23 THR A 75 -12.629 8.294 1.270 1.00 0.00 H new ATOM 393 N VAL A 76 -11.147 5.221 2.029 1.00 0.00 N ATOM 394 CA VAL A 76 -10.537 4.415 3.082 1.00 0.00 C ATOM 395 C VAL A 76 -10.501 5.189 4.396 1.00 0.00 C ATOM 396 O VAL A 76 -10.613 6.415 4.415 1.00 0.00 O ATOM 397 CB VAL A 76 -9.109 4.024 2.698 1.00 0.00 C ATOM 398 CG1 VAL A 76 -9.144 3.094 1.485 1.00 0.00 C ATOM 399 CG2 VAL A 76 -8.312 5.283 2.348 1.00 0.00 C ATOM 0 H VAL A 76 -10.666 6.098 1.830 1.00 0.00 H new ATOM 0 HA VAL A 76 -11.140 3.516 3.206 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.635 3.513 3.536 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.127 2.815 1.211 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -9.713 2.197 1.731 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -9.618 3.606 0.648 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.294 5.005 2.074 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.787 5.793 1.510 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -8.287 5.949 3.210 1.00 0.00 H new ATOM 409 N LYS A 77 -10.344 4.455 5.493 1.00 0.00 N ATOM 410 CA LYS A 77 -10.292 5.077 6.813 1.00 0.00 C ATOM 411 C LYS A 77 -8.962 4.769 7.491 1.00 0.00 C ATOM 412 O LYS A 77 -8.383 3.700 7.298 1.00 0.00 O ATOM 413 CB LYS A 77 -11.432 4.561 7.694 1.00 0.00 C ATOM 414 CG LYS A 77 -11.867 5.661 8.662 1.00 0.00 C ATOM 415 CD LYS A 77 -13.063 5.174 9.484 1.00 0.00 C ATOM 416 CE LYS A 77 -13.868 6.378 9.977 1.00 0.00 C ATOM 417 NZ LYS A 77 -15.315 6.046 10.113 1.00 0.00 N ATOM 0 H LYS A 77 -10.251 3.439 5.496 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.395 6.154 6.683 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -12.274 4.254 7.074 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.107 3.681 8.249 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -11.042 5.926 9.323 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -12.135 6.562 8.109 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -13.694 4.525 8.877 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.718 4.582 10.332 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -13.477 6.710 10.939 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -13.747 7.208 9.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -15.833 6.883 10.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -15.692 5.753 9.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -15.430 5.270 10.796 1.00 0.00 H new ATOM 431 N ALA A 78 -8.482 5.720 8.288 1.00 0.00 N ATOM 432 CA ALA A 78 -7.215 5.545 8.993 1.00 0.00 C ATOM 433 C ALA A 78 -7.275 4.331 9.917 1.00 0.00 C ATOM 434 O ALA A 78 -7.711 4.426 11.064 1.00 0.00 O ATOM 435 CB ALA A 78 -6.893 6.787 9.828 1.00 0.00 C ATOM 0 H ALA A 78 -8.946 6.612 8.461 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.436 5.393 8.246 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.946 6.641 10.347 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -6.818 7.656 9.174 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.686 6.950 10.558 1.00 0.00 H new ATOM 441 N GLY A 79 -6.832 3.188 9.401 1.00 0.00 N ATOM 442 CA GLY A 79 -6.838 1.956 10.187 1.00 0.00 C ATOM 443 C GLY A 79 -7.364 0.787 9.361 1.00 0.00 C ATOM 444 O GLY A 79 -6.945 -0.356 9.542 1.00 0.00 O ATOM 0 H GLY A 79 -6.468 3.088 8.453 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.828 1.736 10.534 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.458 2.088 11.074 1.00 0.00 H new ATOM 448 N GLN A 80 -8.289 1.085 8.454 1.00 0.00 N ATOM 449 CA GLN A 80 -8.869 0.049 7.604 1.00 0.00 C ATOM 450 C GLN A 80 -7.824 -0.494 6.634 1.00 0.00 C ATOM 451 O GLN A 80 -7.005 0.255 6.100 1.00 0.00 O ATOM 452 CB GLN A 80 -10.047 0.608 6.803 1.00 0.00 C ATOM 453 CG GLN A 80 -10.914 -0.548 6.299 1.00 0.00 C ATOM 454 CD GLN A 80 -11.966 -0.012 5.334 1.00 0.00 C ATOM 455 OE1 GLN A 80 -12.374 1.146 5.429 1.00 0.00 O ATOM 456 NE2 GLN A 80 -12.434 -0.793 4.400 1.00 0.00 N ATOM 0 H GLN A 80 -8.650 2.024 8.289 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.219 -0.756 8.250 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -10.640 1.277 7.427 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.682 1.197 5.962 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.293 -1.292 5.800 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -11.397 -1.048 7.139 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -12.096 -1.752 4.321 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -13.137 -0.444 3.749 1.00 0.00 H new ATOM 465 N THR A 81 -7.865 -1.804 6.411 1.00 0.00 N ATOM 466 CA THR A 81 -6.918 -2.440 5.500 1.00 0.00 C ATOM 467 C THR A 81 -7.112 -1.908 4.083 1.00 0.00 C ATOM 468 O THR A 81 -8.238 -1.743 3.616 1.00 0.00 O ATOM 469 CB THR A 81 -7.113 -3.958 5.496 1.00 0.00 C ATOM 470 OG1 THR A 81 -7.367 -4.403 6.822 1.00 0.00 O ATOM 471 CG2 THR A 81 -5.851 -4.636 4.962 1.00 0.00 C ATOM 0 H THR A 81 -8.535 -2.440 6.843 1.00 0.00 H new ATOM 0 HA THR A 81 -5.910 -2.208 5.843 1.00 0.00 H new ATOM 0 HB THR A 81 -7.958 -4.215 4.857 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.494 -5.375 6.822 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.992 -5.717 4.960 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.656 -4.293 3.946 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.004 -4.382 5.599 1.00 0.00 H new ATOM 479 N VAL A 82 -5.999 -1.636 3.409 1.00 0.00 N ATOM 480 CA VAL A 82 -6.055 -1.115 2.046 1.00 0.00 C ATOM 481 C VAL A 82 -5.480 -2.125 1.056 1.00 0.00 C ATOM 482 O VAL A 82 -5.948 -2.238 -0.077 1.00 0.00 O ATOM 483 CB VAL A 82 -5.267 0.194 1.937 1.00 0.00 C ATOM 484 CG1 VAL A 82 -5.931 1.263 2.808 1.00 0.00 C ATOM 485 CG2 VAL A 82 -3.829 -0.029 2.417 1.00 0.00 C ATOM 0 H VAL A 82 -5.057 -1.765 3.778 1.00 0.00 H new ATOM 0 HA VAL A 82 -7.102 -0.931 1.805 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.256 0.523 0.898 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.371 2.195 2.731 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.954 1.425 2.468 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.942 0.931 3.846 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.270 0.904 2.338 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.839 -0.359 3.456 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.353 -0.790 1.799 1.00 0.00 H new ATOM 495 N LEU A 83 -4.457 -2.853 1.492 1.00 0.00 N ATOM 496 CA LEU A 83 -3.822 -3.845 0.629 1.00 0.00 C ATOM 497 C LEU A 83 -3.063 -4.871 1.465 1.00 0.00 C ATOM 498 O LEU A 83 -2.588 -4.574 2.561 1.00 0.00 O ATOM 499 CB LEU A 83 -2.850 -3.157 -0.335 1.00 0.00 C ATOM 500 CG LEU A 83 -2.007 -4.092 -1.213 1.00 0.00 C ATOM 501 CD1 LEU A 83 -1.757 -3.438 -2.573 1.00 0.00 C ATOM 502 CD2 LEU A 83 -0.665 -4.359 -0.527 1.00 0.00 C ATOM 0 H LEU A 83 -4.053 -2.777 2.426 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.600 -4.354 0.060 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.421 -2.495 -0.986 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.175 -2.529 0.246 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.542 -5.031 -1.356 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.158 -4.105 -3.193 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.710 -3.244 -3.064 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.224 -2.498 -2.432 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.064 -5.023 -1.149 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.135 -3.417 -0.385 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.838 -4.827 0.442 1.00 0.00 H new ATOM 514 N VAL A 84 -2.952 -6.084 0.930 1.00 0.00 N ATOM 515 CA VAL A 84 -2.243 -7.152 1.631 1.00 0.00 C ATOM 516 C VAL A 84 -0.861 -7.351 1.019 1.00 0.00 C ATOM 517 O VAL A 84 -0.682 -7.234 -0.193 1.00 0.00 O ATOM 518 CB VAL A 84 -3.023 -8.467 1.546 1.00 0.00 C ATOM 519 CG1 VAL A 84 -2.369 -9.507 2.457 1.00 0.00 C ATOM 520 CG2 VAL A 84 -4.468 -8.237 1.997 1.00 0.00 C ATOM 0 H VAL A 84 -3.338 -6.351 0.025 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.145 -6.863 2.677 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.016 -8.825 0.517 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.924 -10.443 2.397 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.340 -9.674 2.139 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.377 -9.146 3.485 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -5.022 -9.174 1.936 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.475 -7.878 3.026 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.937 -7.495 1.351 1.00 0.00 H new ATOM 530 N LEU A 85 0.115 -7.651 1.871 1.00 0.00 N ATOM 531 CA LEU A 85 1.482 -7.861 1.399 1.00 0.00 C ATOM 532 C LEU A 85 1.994 -9.232 1.831 1.00 0.00 C ATOM 533 O LEU A 85 1.417 -9.879 2.705 1.00 0.00 O ATOM 534 CB LEU A 85 2.411 -6.776 1.955 1.00 0.00 C ATOM 535 CG LEU A 85 3.479 -6.267 0.985 1.00 0.00 C ATOM 536 CD1 LEU A 85 2.910 -5.112 0.159 1.00 0.00 C ATOM 537 CD2 LEU A 85 4.694 -5.778 1.776 1.00 0.00 C ATOM 0 H LEU A 85 -0.011 -7.753 2.878 1.00 0.00 H new ATOM 0 HA LEU A 85 1.475 -7.808 0.310 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.803 -5.930 2.276 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.908 -7.167 2.843 1.00 0.00 H new ATOM 0 HG LEU A 85 3.780 -7.076 0.319 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.671 -4.749 -0.532 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.044 -5.460 -0.405 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.609 -4.303 0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.456 -5.415 1.086 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.393 -4.969 2.442 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.100 -6.601 2.365 1.00 0.00 H new ATOM 549 N GLU A 86 3.085 -9.663 1.206 1.00 0.00 N ATOM 550 CA GLU A 86 3.675 -10.959 1.528 1.00 0.00 C ATOM 551 C GLU A 86 5.193 -10.846 1.603 1.00 0.00 C ATOM 552 O GLU A 86 5.858 -10.559 0.607 1.00 0.00 O ATOM 553 CB GLU A 86 3.303 -11.998 0.469 1.00 0.00 C ATOM 554 CG GLU A 86 3.200 -13.378 1.120 1.00 0.00 C ATOM 555 CD GLU A 86 2.887 -14.422 0.054 1.00 0.00 C ATOM 556 OE1 GLU A 86 3.824 -14.960 -0.513 1.00 0.00 O ATOM 557 OE2 GLU A 86 1.716 -14.667 -0.181 1.00 0.00 O ATOM 0 H GLU A 86 3.575 -9.140 0.480 1.00 0.00 H new ATOM 0 HA GLU A 86 3.285 -11.275 2.495 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.354 -11.733 0.002 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.054 -12.012 -0.321 1.00 0.00 H new ATOM 0 HG2 GLU A 86 4.135 -13.625 1.623 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.420 -13.375 1.881 1.00 0.00 H new ATOM 630 N GLU A 91 1.977 -13.205 5.664 1.00 0.00 N ATOM 631 CA GLU A 91 1.021 -12.227 5.150 1.00 0.00 C ATOM 632 C GLU A 91 1.009 -10.982 6.029 1.00 0.00 C ATOM 633 O GLU A 91 0.870 -11.065 7.249 1.00 0.00 O ATOM 634 CB GLU A 91 -0.387 -12.824 5.113 1.00 0.00 C ATOM 635 CG GLU A 91 -0.488 -13.828 3.963 1.00 0.00 C ATOM 636 CD GLU A 91 -1.431 -14.960 4.354 1.00 0.00 C ATOM 637 OE1 GLU A 91 -1.407 -15.350 5.510 1.00 0.00 O ATOM 638 OE2 GLU A 91 -2.163 -15.419 3.494 1.00 0.00 O ATOM 0 HA GLU A 91 1.327 -11.956 4.140 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -0.609 -13.316 6.060 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.125 -12.033 4.984 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.853 -13.331 3.064 1.00 0.00 H new ATOM 0 HG3 GLU A 91 0.498 -14.228 3.728 1.00 0.00 H new ATOM 645 N THR A 92 1.156 -9.823 5.393 1.00 0.00 N ATOM 646 CA THR A 92 1.160 -8.558 6.124 1.00 0.00 C ATOM 647 C THR A 92 0.016 -7.667 5.652 1.00 0.00 C ATOM 648 O THR A 92 -0.069 -7.310 4.477 1.00 0.00 O ATOM 649 CB THR A 92 2.486 -7.822 5.916 1.00 0.00 C ATOM 650 OG1 THR A 92 3.541 -8.769 5.825 1.00 0.00 O ATOM 651 CG2 THR A 92 2.740 -6.882 7.094 1.00 0.00 C ATOM 0 H THR A 92 1.273 -9.733 4.384 1.00 0.00 H new ATOM 0 HA THR A 92 1.033 -8.781 7.183 1.00 0.00 H new ATOM 0 HB THR A 92 2.439 -7.240 4.995 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.391 -8.300 5.690 1.00 0.00 H new ATOM 0 HG21 THR A 92 3.684 -6.359 6.945 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.930 -6.156 7.162 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.787 -7.460 8.017 1.00 0.00 H new ATOM 659 N GLU A 93 -0.865 -7.313 6.584 1.00 0.00 N ATOM 660 CA GLU A 93 -2.004 -6.461 6.257 1.00 0.00 C ATOM 661 C GLU A 93 -1.606 -4.990 6.318 1.00 0.00 C ATOM 662 O GLU A 93 -1.013 -4.533 7.295 1.00 0.00 O ATOM 663 CB GLU A 93 -3.155 -6.707 7.235 1.00 0.00 C ATOM 664 CG GLU A 93 -3.874 -8.005 6.862 1.00 0.00 C ATOM 665 CD GLU A 93 -5.014 -8.256 7.843 1.00 0.00 C ATOM 666 OE1 GLU A 93 -4.729 -8.471 9.010 1.00 0.00 O ATOM 667 OE2 GLU A 93 -6.155 -8.230 7.414 1.00 0.00 O ATOM 0 H GLU A 93 -0.813 -7.599 7.562 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.328 -6.707 5.246 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.773 -6.770 8.254 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.854 -5.871 7.208 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -4.263 -7.939 5.846 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -3.173 -8.840 6.881 1.00 0.00 H new ATOM 674 N ILE A 94 -1.936 -4.256 5.260 1.00 0.00 N ATOM 675 CA ILE A 94 -1.609 -2.833 5.199 1.00 0.00 C ATOM 676 C ILE A 94 -2.850 -1.992 5.477 1.00 0.00 C ATOM 677 O ILE A 94 -3.875 -2.133 4.811 1.00 0.00 O ATOM 678 CB ILE A 94 -1.056 -2.464 3.817 1.00 0.00 C ATOM 679 CG1 ILE A 94 0.069 -3.438 3.424 1.00 0.00 C ATOM 680 CG2 ILE A 94 -0.514 -1.032 3.848 1.00 0.00 C ATOM 681 CD1 ILE A 94 1.215 -3.371 4.442 1.00 0.00 C ATOM 0 H ILE A 94 -2.425 -4.617 4.440 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.852 -2.630 5.956 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.857 -2.532 3.081 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.322 -4.454 3.374 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.442 -3.191 2.430 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.121 -0.770 2.866 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.317 -0.345 4.112 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.283 -0.961 4.588 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.002 -4.066 4.150 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.617 -2.358 4.471 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.841 -3.641 5.429 1.00 0.00 H new ATOM 693 N ASN A 95 -2.744 -1.113 6.470 1.00 0.00 N ATOM 694 CA ASN A 95 -3.864 -0.248 6.831 1.00 0.00 C ATOM 695 C ASN A 95 -3.561 1.198 6.454 1.00 0.00 C ATOM 696 O ASN A 95 -2.410 1.635 6.483 1.00 0.00 O ATOM 697 CB ASN A 95 -4.143 -0.324 8.336 1.00 0.00 C ATOM 698 CG ASN A 95 -2.852 -0.076 9.111 1.00 0.00 C ATOM 699 OD1 ASN A 95 -2.133 0.885 8.841 1.00 0.00 O ATOM 700 ND2 ASN A 95 -2.514 -0.894 10.070 1.00 0.00 N ATOM 0 H ASN A 95 -1.904 -0.981 7.034 1.00 0.00 H new ATOM 0 HA ASN A 95 -4.742 -0.592 6.284 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -4.894 0.416 8.614 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -4.550 -1.302 8.591 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -1.654 -0.736 10.595 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -3.110 -1.691 10.294 1.00 0.00 H new ATOM 707 N ALA A 96 -4.607 1.936 6.095 1.00 0.00 N ATOM 708 CA ALA A 96 -4.444 3.334 5.711 1.00 0.00 C ATOM 709 C ALA A 96 -3.905 4.151 6.890 1.00 0.00 C ATOM 710 O ALA A 96 -4.336 3.961 8.028 1.00 0.00 O ATOM 711 CB ALA A 96 -5.781 3.928 5.265 1.00 0.00 C ATOM 0 H ALA A 96 -5.567 1.594 6.062 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.736 3.375 4.883 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.640 4.971 4.982 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -6.160 3.369 4.410 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.497 3.868 6.084 1.00 0.00 H new ATOM 717 N PRO A 97 -2.957 5.068 6.640 1.00 0.00 N ATOM 718 CA PRO A 97 -2.376 5.900 7.703 1.00 0.00 C ATOM 719 C PRO A 97 -3.342 6.983 8.180 1.00 0.00 C ATOM 720 O PRO A 97 -3.345 7.360 9.352 1.00 0.00 O ATOM 721 CB PRO A 97 -1.151 6.532 7.049 1.00 0.00 C ATOM 722 CG PRO A 97 -1.447 6.538 5.589 1.00 0.00 C ATOM 723 CD PRO A 97 -2.366 5.380 5.324 1.00 0.00 C ATOM 0 HA PRO A 97 -2.139 5.312 8.590 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -0.984 7.543 7.421 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -0.249 5.959 7.266 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -1.915 7.477 5.294 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.529 6.443 5.009 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -3.134 5.641 4.596 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -1.822 4.526 4.921 1.00 0.00 H new ATOM 731 N THR A 98 -4.159 7.475 7.255 1.00 0.00 N ATOM 732 CA THR A 98 -5.130 8.515 7.585 1.00 0.00 C ATOM 733 C THR A 98 -6.363 8.390 6.697 1.00 0.00 C ATOM 734 O THR A 98 -6.298 7.853 5.591 1.00 0.00 O ATOM 735 CB THR A 98 -4.515 9.902 7.392 1.00 0.00 C ATOM 736 OG1 THR A 98 -3.751 9.916 6.193 1.00 0.00 O ATOM 737 CG2 THR A 98 -3.611 10.234 8.579 1.00 0.00 C ATOM 0 H THR A 98 -4.170 7.175 6.280 1.00 0.00 H new ATOM 0 HA THR A 98 -5.418 8.389 8.629 1.00 0.00 H new ATOM 0 HB THR A 98 -5.310 10.645 7.327 1.00 0.00 H new ATOM 0 HG1 THR A 98 -3.357 10.804 6.066 1.00 0.00 H new ATOM 0 HG21 THR A 98 -3.174 11.223 8.438 1.00 0.00 H new ATOM 0 HG22 THR A 98 -4.198 10.224 9.497 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.815 9.493 8.649 1.00 0.00 H new ATOM 745 N ASP A 99 -7.490 8.892 7.194 1.00 0.00 N ATOM 746 CA ASP A 99 -8.738 8.832 6.436 1.00 0.00 C ATOM 747 C ASP A 99 -8.607 9.611 5.132 1.00 0.00 C ATOM 748 O ASP A 99 -7.976 10.667 5.083 1.00 0.00 O ATOM 749 CB ASP A 99 -9.893 9.417 7.252 1.00 0.00 C ATOM 750 CG ASP A 99 -9.517 10.812 7.742 1.00 0.00 C ATOM 751 OD1 ASP A 99 -9.676 11.750 6.979 1.00 0.00 O ATOM 752 OD2 ASP A 99 -9.076 10.922 8.874 1.00 0.00 O ATOM 0 H ASP A 99 -7.566 9.340 8.107 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.946 7.785 6.216 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -10.795 9.466 6.642 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -10.117 8.770 8.100 1.00 0.00 H new ATOM 757 N GLY A 100 -9.210 9.076 4.076 1.00 0.00 N ATOM 758 CA GLY A 100 -9.156 9.728 2.769 1.00 0.00 C ATOM 759 C GLY A 100 -9.705 8.811 1.682 1.00 0.00 C ATOM 760 O GLY A 100 -10.478 7.893 1.955 1.00 0.00 O ATOM 0 H GLY A 100 -9.737 8.203 4.096 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.732 10.653 2.795 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -8.127 10.000 2.536 1.00 0.00 H new ATOM 764 N LYS A 101 -9.296 9.072 0.444 1.00 0.00 N ATOM 765 CA LYS A 101 -9.751 8.267 -0.686 1.00 0.00 C ATOM 766 C LYS A 101 -8.580 7.913 -1.596 1.00 0.00 C ATOM 767 O LYS A 101 -7.625 8.679 -1.732 1.00 0.00 O ATOM 768 CB LYS A 101 -10.799 9.030 -1.498 1.00 0.00 C ATOM 769 CG LYS A 101 -11.529 8.061 -2.431 1.00 0.00 C ATOM 770 CD LYS A 101 -12.278 8.853 -3.506 1.00 0.00 C ATOM 771 CE LYS A 101 -13.489 9.549 -2.883 1.00 0.00 C ATOM 772 NZ LYS A 101 -13.173 10.954 -2.500 1.00 0.00 N ATOM 0 H LYS A 101 -8.656 9.827 0.198 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.192 7.352 -0.290 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.511 9.513 -0.829 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.321 9.819 -2.078 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.816 7.381 -2.896 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -12.229 7.449 -1.862 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.614 9.591 -3.957 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -12.601 8.185 -4.305 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -14.318 9.541 -3.590 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -13.815 8.995 -2.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.503 11.132 -1.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -12.145 11.104 -2.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -13.650 11.608 -3.153 1.00 0.00 H new ATOM 786 N VAL A 102 -8.663 6.741 -2.220 1.00 0.00 N ATOM 787 CA VAL A 102 -7.607 6.288 -3.120 1.00 0.00 C ATOM 788 C VAL A 102 -7.708 7.009 -4.461 1.00 0.00 C ATOM 789 O VAL A 102 -8.670 6.829 -5.208 1.00 0.00 O ATOM 790 CB VAL A 102 -7.713 4.777 -3.347 1.00 0.00 C ATOM 791 CG1 VAL A 102 -6.509 4.290 -4.158 1.00 0.00 C ATOM 792 CG2 VAL A 102 -7.742 4.058 -1.993 1.00 0.00 C ATOM 0 H VAL A 102 -9.444 6.092 -2.120 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.645 6.516 -2.660 1.00 0.00 H new ATOM 0 HB VAL A 102 -8.629 4.559 -3.896 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -6.588 3.215 -4.317 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -6.490 4.799 -5.122 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -5.591 4.509 -3.613 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -7.817 2.983 -2.154 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -6.827 4.280 -1.444 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.602 4.400 -1.418 1.00 0.00 H new ATOM 802 N GLU A 103 -6.706 7.833 -4.754 1.00 0.00 N ATOM 803 CA GLU A 103 -6.691 8.584 -6.006 1.00 0.00 C ATOM 804 C GLU A 103 -5.919 7.824 -7.082 1.00 0.00 C ATOM 805 O GLU A 103 -6.216 7.932 -8.271 1.00 0.00 O ATOM 806 CB GLU A 103 -6.046 9.959 -5.805 1.00 0.00 C ATOM 807 CG GLU A 103 -4.665 9.796 -5.165 1.00 0.00 C ATOM 808 CD GLU A 103 -3.893 11.107 -5.281 1.00 0.00 C ATOM 809 OE1 GLU A 103 -4.044 11.940 -4.404 1.00 0.00 O ATOM 810 OE2 GLU A 103 -3.161 11.257 -6.247 1.00 0.00 O ATOM 0 H GLU A 103 -5.901 7.997 -4.149 1.00 0.00 H new ATOM 0 HA GLU A 103 -7.725 8.713 -6.326 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -5.955 10.471 -6.763 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.680 10.579 -5.171 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.769 9.514 -4.117 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.116 8.994 -5.658 1.00 0.00 H new ATOM 817 N LYS A 104 -4.922 7.055 -6.653 1.00 0.00 N ATOM 818 CA LYS A 104 -4.113 6.283 -7.590 1.00 0.00 C ATOM 819 C LYS A 104 -3.409 5.137 -6.872 1.00 0.00 C ATOM 820 O LYS A 104 -2.823 5.319 -5.806 1.00 0.00 O ATOM 821 CB LYS A 104 -3.061 7.176 -8.251 1.00 0.00 C ATOM 822 CG LYS A 104 -2.531 6.492 -9.513 1.00 0.00 C ATOM 823 CD LYS A 104 -2.204 7.550 -10.569 1.00 0.00 C ATOM 824 CE LYS A 104 -0.763 8.028 -10.383 1.00 0.00 C ATOM 825 NZ LYS A 104 -0.463 9.202 -11.252 1.00 0.00 N ATOM 0 H LYS A 104 -4.657 6.950 -5.674 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.779 5.879 -8.353 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.496 8.143 -8.504 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.243 7.367 -7.557 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.640 5.911 -9.277 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.273 5.794 -9.900 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -2.334 7.134 -11.568 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -2.892 8.391 -10.481 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -0.598 8.295 -9.339 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -0.075 7.215 -10.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 0.521 9.502 -11.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -0.597 8.939 -12.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -1.104 9.985 -11.011 1.00 0.00 H new ATOM 839 N VAL A 105 -3.475 3.953 -7.472 1.00 0.00 N ATOM 840 CA VAL A 105 -2.840 2.775 -6.887 1.00 0.00 C ATOM 841 C VAL A 105 -1.527 2.476 -7.603 1.00 0.00 C ATOM 842 O VAL A 105 -1.518 2.027 -8.750 1.00 0.00 O ATOM 843 CB VAL A 105 -3.761 1.554 -6.999 1.00 0.00 C ATOM 844 CG1 VAL A 105 -3.171 0.377 -6.207 1.00 0.00 C ATOM 845 CG2 VAL A 105 -5.147 1.909 -6.443 1.00 0.00 C ATOM 0 H VAL A 105 -3.957 3.783 -8.355 1.00 0.00 H new ATOM 0 HA VAL A 105 -2.645 2.982 -5.835 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.851 1.266 -8.046 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.831 -0.486 -6.292 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.190 0.124 -6.608 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -3.073 0.657 -5.158 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.803 1.042 -6.522 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.055 2.201 -5.397 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.568 2.736 -7.015 1.00 0.00 H new ATOM 855 N LEU A 106 -0.416 2.734 -6.916 1.00 0.00 N ATOM 856 CA LEU A 106 0.903 2.491 -7.500 1.00 0.00 C ATOM 857 C LEU A 106 1.393 1.067 -7.213 1.00 0.00 C ATOM 858 O LEU A 106 2.568 0.759 -7.416 1.00 0.00 O ATOM 859 CB LEU A 106 1.924 3.483 -6.941 1.00 0.00 C ATOM 860 CG LEU A 106 1.552 4.961 -7.085 1.00 0.00 C ATOM 861 CD1 LEU A 106 2.188 5.761 -5.946 1.00 0.00 C ATOM 862 CD2 LEU A 106 2.069 5.488 -8.426 1.00 0.00 C ATOM 0 H LEU A 106 -0.401 3.106 -5.967 1.00 0.00 H new ATOM 0 HA LEU A 106 0.806 2.620 -8.578 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.075 3.265 -5.884 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.878 3.316 -7.440 1.00 0.00 H new ATOM 0 HG LEU A 106 0.468 5.068 -7.044 1.00 0.00 H new ATOM 0 HD11 LEU A 106 1.923 6.813 -6.048 1.00 0.00 H new ATOM 0 HD12 LEU A 106 1.823 5.386 -4.990 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.272 5.654 -5.987 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.805 6.540 -8.530 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.153 5.380 -8.466 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.618 4.919 -9.239 1.00 0.00 H new ATOM 874 N VAL A 107 0.494 0.201 -6.745 1.00 0.00 N ATOM 875 CA VAL A 107 0.870 -1.177 -6.449 1.00 0.00 C ATOM 876 C VAL A 107 -0.121 -2.141 -7.088 1.00 0.00 C ATOM 877 O VAL A 107 -1.333 -1.932 -7.040 1.00 0.00 O ATOM 878 CB VAL A 107 0.895 -1.415 -4.938 1.00 0.00 C ATOM 879 CG1 VAL A 107 2.017 -0.589 -4.309 1.00 0.00 C ATOM 880 CG2 VAL A 107 -0.447 -0.994 -4.335 1.00 0.00 C ATOM 0 H VAL A 107 -0.485 0.426 -6.566 1.00 0.00 H new ATOM 0 HA VAL A 107 1.866 -1.351 -6.857 1.00 0.00 H new ATOM 0 HB VAL A 107 1.069 -2.473 -4.740 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.034 -0.759 -3.232 1.00 0.00 H new ATOM 0 HG12 VAL A 107 2.973 -0.887 -4.739 1.00 0.00 H new ATOM 0 HG13 VAL A 107 1.845 0.469 -4.507 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -0.431 -1.163 -3.258 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.619 0.064 -4.534 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.248 -1.583 -4.783 1.00 0.00 H new ATOM 890 N LYS A 108 0.407 -3.202 -7.691 1.00 0.00 N ATOM 891 CA LYS A 108 -0.443 -4.193 -8.343 1.00 0.00 C ATOM 892 C LYS A 108 -0.142 -5.587 -7.798 1.00 0.00 C ATOM 893 O LYS A 108 0.807 -5.781 -7.040 1.00 0.00 O ATOM 894 CB LYS A 108 -0.212 -4.180 -9.859 1.00 0.00 C ATOM 895 CG LYS A 108 -1.550 -4.334 -10.591 1.00 0.00 C ATOM 896 CD LYS A 108 -2.064 -2.958 -11.018 1.00 0.00 C ATOM 897 CE LYS A 108 -3.141 -3.125 -12.091 1.00 0.00 C ATOM 898 NZ LYS A 108 -4.457 -3.478 -11.489 1.00 0.00 N ATOM 0 H LYS A 108 1.407 -3.397 -7.742 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.483 -3.941 -8.136 1.00 0.00 H new ATOM 0 HB2 LYS A 108 0.269 -3.248 -10.155 1.00 0.00 H new ATOM 0 HB3 LYS A 108 0.462 -4.989 -10.140 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -1.426 -4.974 -11.465 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -2.278 -4.819 -9.941 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -2.472 -2.428 -10.158 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -1.242 -2.355 -11.404 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -3.236 -2.201 -12.661 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -2.840 -3.902 -12.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -5.166 -3.584 -12.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -4.371 -4.373 -10.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -4.754 -2.724 -10.838 1.00 0.00 H new ATOM 912 N GLU A 109 -0.963 -6.554 -8.196 1.00 0.00 N ATOM 913 CA GLU A 109 -0.776 -7.930 -7.744 1.00 0.00 C ATOM 914 C GLU A 109 0.447 -8.546 -8.415 1.00 0.00 C ATOM 915 O GLU A 109 0.807 -8.185 -9.536 1.00 0.00 O ATOM 916 CB GLU A 109 -2.007 -8.776 -8.075 1.00 0.00 C ATOM 917 CG GLU A 109 -3.015 -8.680 -6.928 1.00 0.00 C ATOM 918 CD GLU A 109 -4.202 -9.593 -7.218 1.00 0.00 C ATOM 919 OE1 GLU A 109 -4.940 -9.297 -8.142 1.00 0.00 O ATOM 920 OE2 GLU A 109 -4.355 -10.574 -6.509 1.00 0.00 O ATOM 0 H GLU A 109 -1.755 -6.414 -8.823 1.00 0.00 H new ATOM 0 HA GLU A 109 -0.630 -7.914 -6.664 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.461 -8.429 -9.003 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -1.716 -9.815 -8.232 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -2.542 -8.967 -5.989 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.354 -7.650 -6.812 1.00 0.00 H new ATOM 927 N ARG A 110 1.082 -9.482 -7.714 1.00 0.00 N ATOM 928 CA ARG A 110 2.268 -10.151 -8.246 1.00 0.00 C ATOM 929 C ARG A 110 3.388 -9.144 -8.496 1.00 0.00 C ATOM 930 O ARG A 110 4.206 -9.317 -9.399 1.00 0.00 O ATOM 931 CB ARG A 110 1.941 -10.869 -9.557 1.00 0.00 C ATOM 932 CG ARG A 110 1.470 -12.294 -9.258 1.00 0.00 C ATOM 933 CD ARG A 110 1.673 -13.169 -10.496 1.00 0.00 C ATOM 934 NE ARG A 110 0.972 -14.442 -10.347 1.00 0.00 N ATOM 935 CZ ARG A 110 1.589 -15.508 -9.845 1.00 0.00 C ATOM 936 NH1 ARG A 110 2.784 -15.828 -10.261 1.00 0.00 N ATOM 937 NH2 ARG A 110 0.997 -16.235 -8.936 1.00 0.00 N ATOM 0 H ARG A 110 0.799 -9.793 -6.785 1.00 0.00 H new ATOM 0 HA ARG A 110 2.596 -10.881 -7.506 1.00 0.00 H new ATOM 0 HB2 ARG A 110 1.167 -10.325 -10.098 1.00 0.00 H new ATOM 0 HB3 ARG A 110 2.821 -10.893 -10.199 1.00 0.00 H new ATOM 0 HG2 ARG A 110 2.027 -12.703 -8.415 1.00 0.00 H new ATOM 0 HG3 ARG A 110 0.418 -12.288 -8.972 1.00 0.00 H new ATOM 0 HD2 ARG A 110 1.307 -12.648 -11.380 1.00 0.00 H new ATOM 0 HD3 ARG A 110 2.737 -13.349 -10.650 1.00 0.00 H new ATOM 0 HE ARG A 110 -0.005 -14.514 -10.632 1.00 0.00 H new ATOM 0 HH11 ARG A 110 3.246 -15.260 -10.972 1.00 0.00 H new ATOM 0 HH12 ARG A 110 3.256 -16.646 -9.875 1.00 0.00 H new ATOM 0 HH21 ARG A 110 0.063 -15.985 -8.612 1.00 0.00 H new ATOM 0 HH22 ARG A 110 1.469 -17.053 -8.550 1.00 0.00 H new ATOM 951 N ASP A 111 3.416 -8.089 -7.683 1.00 0.00 N ATOM 952 CA ASP A 111 4.444 -7.061 -7.824 1.00 0.00 C ATOM 953 C ASP A 111 5.167 -6.851 -6.498 1.00 0.00 C ATOM 954 O ASP A 111 4.551 -6.842 -5.432 1.00 0.00 O ATOM 955 CB ASP A 111 3.820 -5.735 -8.266 1.00 0.00 C ATOM 956 CG ASP A 111 3.418 -5.827 -9.734 1.00 0.00 C ATOM 957 OD1 ASP A 111 2.302 -6.245 -9.998 1.00 0.00 O ATOM 958 OD2 ASP A 111 4.232 -5.479 -10.574 1.00 0.00 O ATOM 0 H ASP A 111 2.748 -7.925 -6.930 1.00 0.00 H new ATOM 0 HA ASP A 111 5.155 -7.396 -8.579 1.00 0.00 H new ATOM 0 HB2 ASP A 111 2.948 -5.509 -7.653 1.00 0.00 H new ATOM 0 HB3 ASP A 111 4.530 -4.921 -8.123 1.00 0.00 H new ATOM 963 N ALA A 112 6.485 -6.683 -6.575 1.00 0.00 N ATOM 964 CA ALA A 112 7.288 -6.476 -5.373 1.00 0.00 C ATOM 965 C ALA A 112 7.439 -4.986 -5.083 1.00 0.00 C ATOM 966 O ALA A 112 7.593 -4.172 -5.995 1.00 0.00 O ATOM 967 CB ALA A 112 8.677 -7.094 -5.543 1.00 0.00 C ATOM 0 H ALA A 112 7.015 -6.686 -7.447 1.00 0.00 H new ATOM 0 HA ALA A 112 6.776 -6.958 -4.540 1.00 0.00 H new ATOM 0 HB1 ALA A 112 9.261 -6.930 -4.638 1.00 0.00 H new ATOM 0 HB2 ALA A 112 8.579 -8.165 -5.723 1.00 0.00 H new ATOM 0 HB3 ALA A 112 9.181 -6.628 -6.390 1.00 0.00 H new ATOM 973 N VAL A 113 7.395 -4.638 -3.800 1.00 0.00 N ATOM 974 CA VAL A 113 7.528 -3.242 -3.392 1.00 0.00 C ATOM 975 C VAL A 113 8.721 -3.073 -2.457 1.00 0.00 C ATOM 976 O VAL A 113 9.159 -4.023 -1.810 1.00 0.00 O ATOM 977 CB VAL A 113 6.262 -2.769 -2.675 1.00 0.00 C ATOM 978 CG1 VAL A 113 5.092 -2.757 -3.660 1.00 0.00 C ATOM 979 CG2 VAL A 113 5.945 -3.723 -1.522 1.00 0.00 C ATOM 0 H VAL A 113 7.269 -5.296 -3.031 1.00 0.00 H new ATOM 0 HA VAL A 113 7.681 -2.643 -4.290 1.00 0.00 H new ATOM 0 HB VAL A 113 6.419 -1.763 -2.285 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.190 -2.420 -3.149 1.00 0.00 H new ATOM 0 HG12 VAL A 113 5.317 -2.080 -4.484 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.934 -3.763 -4.050 1.00 0.00 H new ATOM 0 HG21 VAL A 113 5.043 -3.388 -1.010 1.00 0.00 H new ATOM 0 HG22 VAL A 113 5.787 -4.728 -1.914 1.00 0.00 H new ATOM 0 HG23 VAL A 113 6.778 -3.734 -0.819 1.00 0.00 H new ATOM 989 N GLN A 114 9.240 -1.850 -2.392 1.00 0.00 N ATOM 990 CA GLN A 114 10.385 -1.564 -1.532 1.00 0.00 C ATOM 991 C GLN A 114 9.922 -0.926 -0.226 1.00 0.00 C ATOM 992 O GLN A 114 8.964 -0.151 -0.202 1.00 0.00 O ATOM 993 CB GLN A 114 11.359 -0.616 -2.232 1.00 0.00 C ATOM 994 CG GLN A 114 12.090 -1.367 -3.348 1.00 0.00 C ATOM 995 CD GLN A 114 13.068 -0.424 -4.040 1.00 0.00 C ATOM 996 OE1 GLN A 114 13.575 0.515 -3.428 1.00 0.00 O ATOM 997 NE2 GLN A 114 13.367 -0.622 -5.295 1.00 0.00 N ATOM 0 H GLN A 114 8.891 -1.049 -2.918 1.00 0.00 H new ATOM 0 HA GLN A 114 10.889 -2.507 -1.319 1.00 0.00 H new ATOM 0 HB2 GLN A 114 10.820 0.236 -2.645 1.00 0.00 H new ATOM 0 HB3 GLN A 114 12.078 -0.221 -1.514 1.00 0.00 H new ATOM 0 HG2 GLN A 114 12.624 -2.223 -2.935 1.00 0.00 H new ATOM 0 HG3 GLN A 114 11.372 -1.757 -4.069 1.00 0.00 H new ATOM 0 HE21 GLN A 114 12.947 -1.401 -5.803 1.00 0.00 H new ATOM 0 HE22 GLN A 114 14.021 0.002 -5.768 1.00 0.00 H new ATOM 1006 N GLY A 115 10.613 -1.259 0.860 1.00 0.00 N ATOM 1007 CA GLY A 115 10.267 -0.712 2.169 1.00 0.00 C ATOM 1008 C GLY A 115 10.396 0.807 2.171 1.00 0.00 C ATOM 1009 O GLY A 115 11.499 1.352 2.180 1.00 0.00 O ATOM 0 H GLY A 115 11.408 -1.898 0.862 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.247 -0.995 2.429 1.00 0.00 H new ATOM 0 HA3 GLY A 115 10.920 -1.138 2.931 1.00 0.00 H new ATOM 1013 N GLY A 116 9.251 1.486 2.160 1.00 0.00 N ATOM 1014 CA GLY A 116 9.245 2.947 2.157 1.00 0.00 C ATOM 1015 C GLY A 116 8.594 3.487 0.887 1.00 0.00 C ATOM 1016 O GLY A 116 8.023 4.578 0.882 1.00 0.00 O ATOM 0 H GLY A 116 8.327 1.055 2.153 1.00 0.00 H new ATOM 0 HA2 GLY A 116 8.706 3.314 3.031 1.00 0.00 H new ATOM 0 HA3 GLY A 116 10.267 3.319 2.233 1.00 0.00 H new ATOM 1020 N GLN A 117 8.686 2.711 -0.194 1.00 0.00 N ATOM 1021 CA GLN A 117 8.101 3.123 -1.470 1.00 0.00 C ATOM 1022 C GLN A 117 6.598 3.345 -1.328 1.00 0.00 C ATOM 1023 O GLN A 117 5.898 2.566 -0.681 1.00 0.00 O ATOM 1024 CB GLN A 117 8.346 2.054 -2.538 1.00 0.00 C ATOM 1025 CG GLN A 117 7.966 2.608 -3.913 1.00 0.00 C ATOM 1026 CD GLN A 117 8.046 1.493 -4.950 1.00 0.00 C ATOM 1027 OE1 GLN A 117 9.103 1.257 -5.536 1.00 0.00 O ATOM 1028 NE2 GLN A 117 6.981 0.789 -5.215 1.00 0.00 N ATOM 0 H GLN A 117 9.154 1.805 -0.212 1.00 0.00 H new ATOM 0 HA GLN A 117 8.577 4.057 -1.770 1.00 0.00 H new ATOM 0 HB2 GLN A 117 9.394 1.753 -2.533 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.757 1.163 -2.318 1.00 0.00 H new ATOM 0 HG2 GLN A 117 6.958 3.021 -3.885 1.00 0.00 H new ATOM 0 HG3 GLN A 117 8.637 3.423 -4.187 1.00 0.00 H new ATOM 0 HE21 GLN A 117 6.106 0.985 -4.729 1.00 0.00 H new ATOM 0 HE22 GLN A 117 7.023 0.042 -5.908 1.00 0.00 H new ATOM 1037 N GLY A 118 6.112 4.420 -1.943 1.00 0.00 N ATOM 1038 CA GLY A 118 4.689 4.743 -1.882 1.00 0.00 C ATOM 1039 C GLY A 118 3.854 3.626 -2.501 1.00 0.00 C ATOM 1040 O GLY A 118 4.046 3.258 -3.660 1.00 0.00 O ATOM 0 H GLY A 118 6.675 5.076 -2.484 1.00 0.00 H new ATOM 0 HA2 GLY A 118 4.390 4.895 -0.845 1.00 0.00 H new ATOM 0 HA3 GLY A 118 4.501 5.679 -2.408 1.00 0.00 H new ATOM 1044 N LEU A 119 2.926 3.091 -1.714 1.00 0.00 N ATOM 1045 CA LEU A 119 2.064 2.013 -2.191 1.00 0.00 C ATOM 1046 C LEU A 119 0.843 2.581 -2.905 1.00 0.00 C ATOM 1047 O LEU A 119 0.569 2.252 -4.059 1.00 0.00 O ATOM 1048 CB LEU A 119 1.593 1.147 -1.022 1.00 0.00 C ATOM 1049 CG LEU A 119 2.700 0.434 -0.242 1.00 0.00 C ATOM 1050 CD1 LEU A 119 2.196 0.093 1.162 1.00 0.00 C ATOM 1051 CD2 LEU A 119 3.088 -0.854 -0.971 1.00 0.00 C ATOM 0 H LEU A 119 2.752 3.382 -0.752 1.00 0.00 H new ATOM 0 HA LEU A 119 2.643 1.405 -2.886 1.00 0.00 H new ATOM 0 HB2 LEU A 119 1.032 1.775 -0.330 1.00 0.00 H new ATOM 0 HB3 LEU A 119 0.901 0.397 -1.404 1.00 0.00 H new ATOM 0 HG LEU A 119 3.570 1.086 -0.167 1.00 0.00 H new ATOM 0 HD11 LEU A 119 2.984 -0.415 1.718 1.00 0.00 H new ATOM 0 HD12 LEU A 119 1.918 1.010 1.682 1.00 0.00 H new ATOM 0 HD13 LEU A 119 1.326 -0.559 1.088 1.00 0.00 H new ATOM 0 HD21 LEU A 119 3.876 -1.363 -0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 119 2.218 -1.506 -1.045 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.447 -0.612 -1.971 1.00 0.00 H new ATOM 1063 N ILE A 120 0.108 3.436 -2.199 1.00 0.00 N ATOM 1064 CA ILE A 120 -1.091 4.048 -2.766 1.00 0.00 C ATOM 1065 C ILE A 120 -1.195 5.508 -2.336 1.00 0.00 C ATOM 1066 O ILE A 120 -0.699 5.895 -1.279 1.00 0.00 O ATOM 1067 CB ILE A 120 -2.344 3.299 -2.301 1.00 0.00 C ATOM 1068 CG1 ILE A 120 -2.188 1.804 -2.597 1.00 0.00 C ATOM 1069 CG2 ILE A 120 -3.571 3.837 -3.040 1.00 0.00 C ATOM 1070 CD1 ILE A 120 -3.343 1.034 -1.956 1.00 0.00 C ATOM 0 H ILE A 120 0.318 3.719 -1.242 1.00 0.00 H new ATOM 0 HA ILE A 120 -1.018 3.993 -3.852 1.00 0.00 H new ATOM 0 HB ILE A 120 -2.473 3.447 -1.229 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -2.177 1.635 -3.674 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -1.236 1.443 -2.208 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -4.460 3.302 -2.707 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -3.686 4.900 -2.828 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -3.442 3.693 -4.113 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -3.232 -0.030 -2.166 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -3.333 1.194 -0.878 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -4.289 1.388 -2.366 1.00 0.00 H new ATOM 1082 N LYS A 121 -1.845 6.313 -3.171 1.00 0.00 N ATOM 1083 CA LYS A 121 -2.011 7.732 -2.870 1.00 0.00 C ATOM 1084 C LYS A 121 -3.375 7.987 -2.235 1.00 0.00 C ATOM 1085 O LYS A 121 -4.401 7.514 -2.722 1.00 0.00 O ATOM 1086 CB LYS A 121 -1.891 8.569 -4.146 1.00 0.00 C ATOM 1087 CG LYS A 121 -0.415 8.816 -4.458 1.00 0.00 C ATOM 1088 CD LYS A 121 -0.288 9.992 -5.428 1.00 0.00 C ATOM 1089 CE LYS A 121 1.022 9.871 -6.209 1.00 0.00 C ATOM 1090 NZ LYS A 121 0.849 9.045 -7.438 1.00 0.00 N ATOM 0 H LYS A 121 -2.261 6.012 -4.052 1.00 0.00 H new ATOM 0 HA LYS A 121 -1.225 8.021 -2.172 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -2.368 8.052 -4.979 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -2.411 9.519 -4.021 1.00 0.00 H new ATOM 0 HG2 LYS A 121 0.131 9.028 -3.539 1.00 0.00 H new ATOM 0 HG3 LYS A 121 0.030 7.922 -4.894 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -1.134 10.003 -6.115 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -0.311 10.934 -4.879 1.00 0.00 H new ATOM 0 HE2 LYS A 121 1.377 10.864 -6.484 1.00 0.00 H new ATOM 0 HE3 LYS A 121 1.786 9.424 -5.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 1.709 8.484 -7.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 0.037 8.406 -7.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 0.680 9.668 -8.254 1.00 0.00 H new ATOM 1104 N ILE A 122 -3.372 8.744 -1.141 1.00 0.00 N ATOM 1105 CA ILE A 122 -4.614 9.062 -0.442 1.00 0.00 C ATOM 1106 C ILE A 122 -4.965 10.534 -0.630 1.00 0.00 C ATOM 1107 O ILE A 122 -4.087 11.394 -0.695 1.00 0.00 O ATOM 1108 CB ILE A 122 -4.480 8.769 1.056 1.00 0.00 C ATOM 1109 CG1 ILE A 122 -3.950 7.339 1.264 1.00 0.00 C ATOM 1110 CG2 ILE A 122 -5.847 8.918 1.733 1.00 0.00 C ATOM 1111 CD1 ILE A 122 -4.915 6.316 0.652 1.00 0.00 C ATOM 0 H ILE A 122 -2.533 9.145 -0.723 1.00 0.00 H new ATOM 0 HA ILE A 122 -5.405 8.440 -0.862 1.00 0.00 H new ATOM 0 HB ILE A 122 -3.779 9.476 1.499 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -2.966 7.239 0.806 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -3.828 7.141 2.329 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -5.750 8.709 2.798 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -6.213 9.935 1.594 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -6.552 8.215 1.288 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -4.526 5.310 0.808 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -5.891 6.405 1.130 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -5.016 6.505 -0.417 1.00 0.00 H new ATOM 1123 N GLY A 123 -6.263 10.814 -0.717 1.00 0.00 N ATOM 1124 CA GLY A 123 -6.725 12.187 -0.899 1.00 0.00 C ATOM 1125 C GLY A 123 -8.225 12.221 -1.169 1.00 0.00 C ATOM 1126 O GLY A 123 -8.982 12.115 -0.219 1.00 0.00 O ATOM 1127 OXT GLY A 123 -8.596 12.353 -2.325 1.00 0.00 O ATOM 0 H GLY A 123 -7.006 10.117 -0.665 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -6.498 12.773 -0.009 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -6.191 12.648 -1.729 1.00 0.00 H new