USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 562 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 78 THR OG1 : rot 28:sc= 0.299 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN :FLIP amide:sc= -0.572 F(o=-1.5,f=-0.57) USER MOD Single : A 87 SER OG : rot 153:sc= 0.0587 USER MOD Single : A 90 CYS SG : rot 180:sc= -0.636 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= -0.105 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 108 CYS SG : rot -90:sc= -3.24! USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 TYR OH : rot 180:sc= -0.424 USER MOD Single : A 118 HIS : no HD1:sc= -2.6 K(o=-2.6,f=-3.2!) USER MOD Single : A 119 MET CE :methyl 164:sc= -0.422 (180deg=-0.619) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ -135:sc= -0.857 (180deg=-3.48!) USER MOD Single : A 131 GLN : amide:sc= -0.401 X(o=-0.4,f=-0.4) USER MOD Single : A 133 ASN : amide:sc= -0.577 K(o=-0.58,f=-2.7!) USER MOD Single : A 135 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.588) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 LYS NZ :NH3+ -159:sc= -0.0341 (180deg=-0.301) USER MOD Single : A 143 ASN : amide:sc= -0.19 X(o=-0.19,f=0) USER MOD Single : A 147 SER OG : rot -171:sc= -0.273 USER MOD ----------------------------------------------------------------- ATOM 80 N THR A 78 -14.272 7.463 1.328 1.00 0.00 N ATOM 81 CA THR A 78 -13.189 7.503 0.353 1.00 0.00 C ATOM 82 C THR A 78 -13.003 6.147 -0.319 1.00 0.00 C ATOM 83 O THR A 78 -13.431 5.120 0.207 1.00 0.00 O ATOM 84 CB THR A 78 -11.860 7.925 1.007 1.00 0.00 C ATOM 85 OG1 THR A 78 -12.084 9.010 1.915 1.00 0.00 O ATOM 86 CG2 THR A 78 -10.846 8.341 -0.048 1.00 0.00 C ATOM 0 HA THR A 78 -13.467 8.242 -0.398 1.00 0.00 H new ATOM 0 HB THR A 78 -11.462 7.070 1.554 1.00 0.00 H new ATOM 0 HG1 THR A 78 -13.000 8.964 2.261 1.00 0.00 H new ATOM 0 HG21 THR A 78 -9.915 8.635 0.438 1.00 0.00 H new ATOM 0 HG22 THR A 78 -10.656 7.504 -0.720 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.239 9.183 -0.619 1.00 0.00 H new ATOM 94 N TRP A 79 -12.362 6.152 -1.482 1.00 0.00 N ATOM 95 CA TRP A 79 -12.119 4.920 -2.225 1.00 0.00 C ATOM 96 C TRP A 79 -11.084 4.053 -1.518 1.00 0.00 C ATOM 97 O TRP A 79 -10.483 4.469 -0.528 1.00 0.00 O ATOM 98 CB TRP A 79 -11.650 5.242 -3.645 1.00 0.00 C ATOM 99 CG TRP A 79 -12.749 5.737 -4.536 1.00 0.00 C ATOM 100 CD1 TRP A 79 -13.155 7.031 -4.694 1.00 0.00 C ATOM 101 CD2 TRP A 79 -13.582 4.945 -5.390 1.00 0.00 C ATOM 102 NE1 TRP A 79 -14.191 7.092 -5.595 1.00 0.00 N ATOM 103 CE2 TRP A 79 -14.471 5.826 -6.037 1.00 0.00 C ATOM 104 CE3 TRP A 79 -13.663 3.579 -5.672 1.00 0.00 C ATOM 105 CZ2 TRP A 79 -15.428 5.382 -6.946 1.00 0.00 C ATOM 106 CZ3 TRP A 79 -14.613 3.140 -6.574 1.00 0.00 C ATOM 107 CH2 TRP A 79 -15.484 4.039 -7.203 1.00 0.00 C ATOM 0 H TRP A 79 -12.001 6.994 -1.931 1.00 0.00 H new ATOM 0 HA TRP A 79 -13.055 4.364 -2.276 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -10.863 5.995 -3.598 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -11.210 4.348 -4.086 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -12.725 7.882 -4.186 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -14.673 7.942 -5.887 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -12.995 2.879 -5.193 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -16.102 6.073 -7.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -14.685 2.086 -6.798 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -16.214 3.665 -7.905 1.00 0.00 H new ATOM 118 N LYS A 80 -10.879 2.845 -2.033 1.00 0.00 N ATOM 119 CA LYS A 80 -9.915 1.919 -1.452 1.00 0.00 C ATOM 120 C LYS A 80 -9.293 1.034 -2.528 1.00 0.00 C ATOM 121 O LYS A 80 -10.001 0.451 -3.350 1.00 0.00 O ATOM 122 CB LYS A 80 -10.589 1.049 -0.388 1.00 0.00 C ATOM 123 CG LYS A 80 -10.517 1.634 1.011 1.00 0.00 C ATOM 124 CD LYS A 80 -11.456 0.915 1.965 1.00 0.00 C ATOM 125 CE LYS A 80 -11.038 -0.532 2.173 1.00 0.00 C ATOM 126 NZ LYS A 80 -11.864 -1.204 3.214 1.00 0.00 N ATOM 0 H LYS A 80 -11.368 2.485 -2.852 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.123 2.505 -0.985 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -11.635 0.904 -0.659 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.121 0.065 -0.386 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -9.495 1.564 1.383 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -10.772 2.693 0.977 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -11.468 1.433 2.924 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -12.472 0.948 1.571 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -11.128 -1.075 1.232 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -9.988 -0.569 2.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -11.548 -2.188 3.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -11.759 -0.701 4.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -12.863 -1.192 2.926 1.00 0.00 H new ATOM 140 N ILE A 81 -7.968 0.939 -2.517 1.00 0.00 N ATOM 141 CA ILE A 81 -7.253 0.123 -3.490 1.00 0.00 C ATOM 142 C ILE A 81 -6.299 -0.846 -2.801 1.00 0.00 C ATOM 143 O ILE A 81 -5.377 -0.432 -2.098 1.00 0.00 O ATOM 144 CB ILE A 81 -6.456 0.995 -4.478 1.00 0.00 C ATOM 145 CG1 ILE A 81 -7.376 2.018 -5.148 1.00 0.00 C ATOM 146 CG2 ILE A 81 -5.774 0.124 -5.523 1.00 0.00 C ATOM 147 CD1 ILE A 81 -6.639 3.196 -5.743 1.00 0.00 C ATOM 0 H ILE A 81 -7.368 1.417 -1.845 1.00 0.00 H new ATOM 0 HA ILE A 81 -8.005 -0.442 -4.041 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.687 1.534 -3.924 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -7.946 1.522 -5.934 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -8.095 2.383 -4.415 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -5.215 0.755 -6.214 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -5.091 -0.568 -5.030 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -6.527 -0.439 -6.074 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -7.354 3.879 -6.201 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.091 3.717 -4.958 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -5.939 2.843 -6.500 1.00 0.00 H new ATOM 159 N PHE A 82 -6.526 -2.139 -3.008 1.00 0.00 N ATOM 160 CA PHE A 82 -5.686 -3.169 -2.407 1.00 0.00 C ATOM 161 C PHE A 82 -4.419 -3.384 -3.228 1.00 0.00 C ATOM 162 O PHE A 82 -4.475 -3.543 -4.448 1.00 0.00 O ATOM 163 CB PHE A 82 -6.460 -4.483 -2.288 1.00 0.00 C ATOM 164 CG PHE A 82 -5.584 -5.673 -2.021 1.00 0.00 C ATOM 165 CD1 PHE A 82 -4.779 -6.196 -3.020 1.00 0.00 C ATOM 166 CD2 PHE A 82 -5.565 -6.269 -0.770 1.00 0.00 C ATOM 167 CE1 PHE A 82 -3.971 -7.290 -2.777 1.00 0.00 C ATOM 168 CE2 PHE A 82 -4.758 -7.363 -0.521 1.00 0.00 C ATOM 169 CZ PHE A 82 -3.961 -7.875 -1.526 1.00 0.00 C ATOM 0 H PHE A 82 -7.285 -2.499 -3.587 1.00 0.00 H new ATOM 0 HA PHE A 82 -5.399 -2.833 -1.410 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.191 -4.393 -1.485 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.017 -4.652 -3.209 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.783 -5.743 -4.000 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -6.188 -5.874 0.019 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.348 -7.687 -3.565 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.751 -7.817 0.459 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.331 -8.731 -1.334 1.00 0.00 H new ATOM 179 N VAL A 83 -3.275 -3.389 -2.551 1.00 0.00 N ATOM 180 CA VAL A 83 -1.993 -3.585 -3.216 1.00 0.00 C ATOM 181 C VAL A 83 -1.234 -4.761 -2.612 1.00 0.00 C ATOM 182 O VAL A 83 -0.786 -4.702 -1.468 1.00 0.00 O ATOM 183 CB VAL A 83 -1.115 -2.322 -3.128 1.00 0.00 C ATOM 184 CG1 VAL A 83 0.234 -2.563 -3.788 1.00 0.00 C ATOM 185 CG2 VAL A 83 -1.824 -1.136 -3.763 1.00 0.00 C ATOM 0 H VAL A 83 -3.210 -3.259 -1.541 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.210 -3.795 -4.263 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.942 -2.093 -2.077 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.841 -1.660 -3.716 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.744 -3.384 -3.284 1.00 0.00 H new ATOM 0 HG13 VAL A 83 0.085 -2.818 -4.837 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.190 -0.252 -3.692 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.028 -1.353 -4.812 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.763 -0.951 -3.241 1.00 0.00 H new ATOM 195 N GLY A 84 -1.094 -5.831 -3.389 1.00 0.00 N ATOM 196 CA GLY A 84 -0.389 -7.006 -2.913 1.00 0.00 C ATOM 197 C GLY A 84 0.986 -7.150 -3.536 1.00 0.00 C ATOM 198 O GLY A 84 1.389 -6.331 -4.361 1.00 0.00 O ATOM 0 H GLY A 84 -1.456 -5.905 -4.340 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.289 -6.952 -1.829 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -0.980 -7.895 -3.135 1.00 0.00 H new ATOM 202 N ASN A 85 1.708 -8.192 -3.139 1.00 0.00 N ATOM 203 CA ASN A 85 3.047 -8.438 -3.662 1.00 0.00 C ATOM 204 C ASN A 85 3.981 -7.277 -3.336 1.00 0.00 C ATOM 205 O ASN A 85 4.778 -6.854 -4.173 1.00 0.00 O ATOM 206 CB ASN A 85 2.993 -8.655 -5.176 1.00 0.00 C ATOM 207 CG ASN A 85 4.172 -9.460 -5.687 1.00 0.00 C ATOM 208 OD1 ASN A 85 5.263 -8.774 -6.008 1.00 0.00 O flip ATOM 209 ND2 ASN A 85 4.103 -10.685 -5.791 1.00 0.00 N flip ATOM 0 H ASN A 85 1.389 -8.880 -2.457 1.00 0.00 H new ATOM 0 HA ASN A 85 3.436 -9.338 -3.186 1.00 0.00 H new ATOM 0 HB2 ASN A 85 2.067 -9.169 -5.434 1.00 0.00 H new ATOM 0 HB3 ASN A 85 2.972 -7.688 -5.678 1.00 0.00 H new ATOM 0 HD21 ASN A 85 3.244 -11.171 -5.533 1.00 0.00 H new ATOM 0 HD22 ASN A 85 4.905 -11.214 -6.135 1.00 0.00 H new ATOM 216 N VAL A 86 3.876 -6.766 -2.114 1.00 0.00 N ATOM 217 CA VAL A 86 4.712 -5.654 -1.676 1.00 0.00 C ATOM 218 C VAL A 86 6.059 -6.149 -1.160 1.00 0.00 C ATOM 219 O VAL A 86 6.121 -6.962 -0.237 1.00 0.00 O ATOM 220 CB VAL A 86 4.021 -4.834 -0.570 1.00 0.00 C ATOM 221 CG1 VAL A 86 4.924 -3.704 -0.100 1.00 0.00 C ATOM 222 CG2 VAL A 86 2.688 -4.293 -1.063 1.00 0.00 C ATOM 0 H VAL A 86 3.220 -7.104 -1.409 1.00 0.00 H new ATOM 0 HA VAL A 86 4.871 -5.016 -2.545 1.00 0.00 H new ATOM 0 HB VAL A 86 3.829 -5.490 0.279 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.419 -3.136 0.681 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.851 -4.119 0.295 1.00 0.00 H new ATOM 0 HG13 VAL A 86 5.150 -3.046 -0.939 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.213 -3.716 -0.269 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.853 -3.651 -1.928 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.040 -5.123 -1.345 1.00 0.00 H new ATOM 232 N SER A 87 7.135 -5.654 -1.762 1.00 0.00 N ATOM 233 CA SER A 87 8.482 -6.048 -1.365 1.00 0.00 C ATOM 234 C SER A 87 8.689 -5.845 0.133 1.00 0.00 C ATOM 235 O SER A 87 7.857 -5.242 0.809 1.00 0.00 O ATOM 236 CB SER A 87 9.522 -5.245 -2.149 1.00 0.00 C ATOM 237 OG SER A 87 10.763 -5.929 -2.199 1.00 0.00 O ATOM 0 H SER A 87 7.101 -4.979 -2.526 1.00 0.00 H new ATOM 0 HA SER A 87 8.605 -7.107 -1.590 1.00 0.00 H new ATOM 0 HB2 SER A 87 9.160 -5.067 -3.162 1.00 0.00 H new ATOM 0 HB3 SER A 87 9.659 -4.269 -1.683 1.00 0.00 H new ATOM 0 HG SER A 87 11.249 -5.665 -3.008 1.00 0.00 H new ATOM 243 N ALA A 88 9.805 -6.354 0.644 1.00 0.00 N ATOM 244 CA ALA A 88 10.124 -6.228 2.060 1.00 0.00 C ATOM 245 C ALA A 88 10.796 -4.892 2.355 1.00 0.00 C ATOM 246 O ALA A 88 10.577 -4.295 3.409 1.00 0.00 O ATOM 247 CB ALA A 88 11.014 -7.379 2.505 1.00 0.00 C ATOM 0 H ALA A 88 10.504 -6.858 0.098 1.00 0.00 H new ATOM 0 HA ALA A 88 9.191 -6.267 2.622 1.00 0.00 H new ATOM 0 HB1 ALA A 88 11.244 -7.272 3.565 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.497 -8.324 2.340 1.00 0.00 H new ATOM 0 HB3 ALA A 88 11.940 -7.367 1.929 1.00 0.00 H new ATOM 253 N ALA A 89 11.616 -4.428 1.418 1.00 0.00 N ATOM 254 CA ALA A 89 12.319 -3.161 1.577 1.00 0.00 C ATOM 255 C ALA A 89 11.493 -2.002 1.030 1.00 0.00 C ATOM 256 O ALA A 89 12.041 -0.987 0.597 1.00 0.00 O ATOM 257 CB ALA A 89 13.674 -3.219 0.886 1.00 0.00 C ATOM 0 H ALA A 89 11.810 -4.911 0.541 1.00 0.00 H new ATOM 0 HA ALA A 89 12.474 -2.991 2.642 1.00 0.00 H new ATOM 0 HB1 ALA A 89 14.188 -2.266 1.013 1.00 0.00 H new ATOM 0 HB2 ALA A 89 14.273 -4.016 1.326 1.00 0.00 H new ATOM 0 HB3 ALA A 89 13.532 -3.416 -0.177 1.00 0.00 H new ATOM 263 N CYS A 90 10.175 -2.159 1.053 1.00 0.00 N ATOM 264 CA CYS A 90 9.273 -1.126 0.557 1.00 0.00 C ATOM 265 C CYS A 90 8.696 -0.309 1.709 1.00 0.00 C ATOM 266 O CYS A 90 8.346 -0.854 2.757 1.00 0.00 O ATOM 267 CB CYS A 90 8.140 -1.755 -0.255 1.00 0.00 C ATOM 268 SG CYS A 90 7.197 -0.572 -1.246 1.00 0.00 S ATOM 0 H CYS A 90 9.707 -2.992 1.410 1.00 0.00 H new ATOM 0 HA CYS A 90 9.845 -0.459 -0.088 1.00 0.00 H new ATOM 0 HB2 CYS A 90 8.559 -2.514 -0.916 1.00 0.00 H new ATOM 0 HB3 CYS A 90 7.460 -2.266 0.426 1.00 0.00 H new ATOM 0 HG CYS A 90 6.263 -1.199 -1.898 1.00 0.00 H new ATOM 274 N THR A 91 8.601 1.002 1.510 1.00 0.00 N ATOM 275 CA THR A 91 8.070 1.894 2.533 1.00 0.00 C ATOM 276 C THR A 91 6.692 2.418 2.144 1.00 0.00 C ATOM 277 O THR A 91 6.356 2.488 0.962 1.00 0.00 O ATOM 278 CB THR A 91 9.010 3.089 2.779 1.00 0.00 C ATOM 279 OG1 THR A 91 9.298 3.750 1.541 1.00 0.00 O ATOM 280 CG2 THR A 91 10.308 2.632 3.429 1.00 0.00 C ATOM 0 H THR A 91 8.885 1.470 0.649 1.00 0.00 H new ATOM 0 HA THR A 91 7.988 1.310 3.450 1.00 0.00 H new ATOM 0 HB THR A 91 8.509 3.784 3.453 1.00 0.00 H new ATOM 0 HG1 THR A 91 9.895 4.509 1.707 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.956 3.493 3.593 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.088 2.156 4.385 1.00 0.00 H new ATOM 0 HG23 THR A 91 10.811 1.919 2.776 1.00 0.00 H new ATOM 288 N SER A 92 5.899 2.785 3.145 1.00 0.00 N ATOM 289 CA SER A 92 4.556 3.300 2.907 1.00 0.00 C ATOM 290 C SER A 92 4.590 4.480 1.941 1.00 0.00 C ATOM 291 O SER A 92 3.957 4.449 0.886 1.00 0.00 O ATOM 292 CB SER A 92 3.909 3.725 4.227 1.00 0.00 C ATOM 293 OG SER A 92 4.695 4.702 4.889 1.00 0.00 O ATOM 0 H SER A 92 6.163 2.735 4.129 1.00 0.00 H new ATOM 0 HA SER A 92 3.962 2.503 2.459 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.913 4.124 4.036 1.00 0.00 H new ATOM 0 HB3 SER A 92 3.786 2.855 4.872 1.00 0.00 H new ATOM 0 HG SER A 92 4.259 4.958 5.729 1.00 0.00 H new ATOM 299 N GLN A 93 5.333 5.518 2.310 1.00 0.00 N ATOM 300 CA GLN A 93 5.449 6.708 1.476 1.00 0.00 C ATOM 301 C GLN A 93 5.596 6.331 0.005 1.00 0.00 C ATOM 302 O GLN A 93 5.110 7.037 -0.877 1.00 0.00 O ATOM 303 CB GLN A 93 6.645 7.553 1.920 1.00 0.00 C ATOM 304 CG GLN A 93 6.424 8.275 3.239 1.00 0.00 C ATOM 305 CD GLN A 93 7.224 9.558 3.344 1.00 0.00 C ATOM 306 OE1 GLN A 93 8.417 9.586 3.038 1.00 0.00 O ATOM 307 NE2 GLN A 93 6.572 10.630 3.778 1.00 0.00 N ATOM 0 H GLN A 93 5.863 5.559 3.180 1.00 0.00 H new ATOM 0 HA GLN A 93 4.536 7.292 1.593 1.00 0.00 H new ATOM 0 HB2 GLN A 93 7.520 6.910 2.010 1.00 0.00 H new ATOM 0 HB3 GLN A 93 6.867 8.288 1.146 1.00 0.00 H new ATOM 0 HG2 GLN A 93 5.364 8.502 3.351 1.00 0.00 H new ATOM 0 HG3 GLN A 93 6.697 7.613 4.061 1.00 0.00 H new ATOM 0 HE21 GLN A 93 5.584 10.562 4.021 1.00 0.00 H new ATOM 0 HE22 GLN A 93 7.059 11.521 3.869 1.00 0.00 H new ATOM 316 N GLU A 94 6.270 5.214 -0.249 1.00 0.00 N ATOM 317 CA GLU A 94 6.482 4.744 -1.614 1.00 0.00 C ATOM 318 C GLU A 94 5.152 4.580 -2.345 1.00 0.00 C ATOM 319 O GLU A 94 4.828 5.352 -3.248 1.00 0.00 O ATOM 320 CB GLU A 94 7.241 3.416 -1.608 1.00 0.00 C ATOM 321 CG GLU A 94 8.113 3.207 -2.835 1.00 0.00 C ATOM 322 CD GLU A 94 9.336 2.360 -2.544 1.00 0.00 C ATOM 323 OE1 GLU A 94 9.715 2.251 -1.359 1.00 0.00 O ATOM 324 OE2 GLU A 94 9.914 1.805 -3.502 1.00 0.00 O ATOM 0 H GLU A 94 6.678 4.618 0.471 1.00 0.00 H new ATOM 0 HA GLU A 94 7.077 5.491 -2.140 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.866 3.369 -0.716 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.524 2.598 -1.539 1.00 0.00 H new ATOM 0 HG2 GLU A 94 7.523 2.730 -3.618 1.00 0.00 H new ATOM 0 HG3 GLU A 94 8.430 4.176 -3.220 1.00 0.00 H new ATOM 331 N LEU A 95 4.387 3.569 -1.948 1.00 0.00 N ATOM 332 CA LEU A 95 3.093 3.302 -2.565 1.00 0.00 C ATOM 333 C LEU A 95 2.213 4.548 -2.547 1.00 0.00 C ATOM 334 O LEU A 95 1.588 4.893 -3.550 1.00 0.00 O ATOM 335 CB LEU A 95 2.387 2.155 -1.839 1.00 0.00 C ATOM 336 CG LEU A 95 1.191 1.537 -2.564 1.00 0.00 C ATOM 337 CD1 LEU A 95 1.624 0.933 -3.890 1.00 0.00 C ATOM 338 CD2 LEU A 95 0.523 0.485 -1.690 1.00 0.00 C ATOM 0 H LEU A 95 4.640 2.921 -1.202 1.00 0.00 H new ATOM 0 HA LEU A 95 3.265 3.016 -3.603 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.117 1.368 -1.648 1.00 0.00 H new ATOM 0 HB3 LEU A 95 2.050 2.519 -0.868 1.00 0.00 H new ATOM 0 HG LEU A 95 0.467 2.326 -2.767 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.759 0.498 -4.391 1.00 0.00 H new ATOM 0 HD12 LEU A 95 2.056 1.710 -4.520 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.368 0.157 -3.711 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.326 0.056 -2.222 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.240 -0.302 -1.456 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.176 0.947 -0.766 1.00 0.00 H new ATOM 350 N ARG A 96 2.171 5.219 -1.401 1.00 0.00 N ATOM 351 CA ARG A 96 1.369 6.428 -1.253 1.00 0.00 C ATOM 352 C ARG A 96 1.712 7.444 -2.338 1.00 0.00 C ATOM 353 O ARG A 96 0.827 7.959 -3.022 1.00 0.00 O ATOM 354 CB ARG A 96 1.591 7.046 0.129 1.00 0.00 C ATOM 355 CG ARG A 96 0.931 8.405 0.300 1.00 0.00 C ATOM 356 CD ARG A 96 1.577 9.199 1.426 1.00 0.00 C ATOM 357 NE ARG A 96 2.739 9.954 0.966 1.00 0.00 N ATOM 358 CZ ARG A 96 3.267 10.971 1.638 1.00 0.00 C ATOM 359 NH1 ARG A 96 2.739 11.353 2.792 1.00 0.00 N ATOM 360 NH2 ARG A 96 4.326 11.608 1.155 1.00 0.00 N ATOM 0 H ARG A 96 2.682 4.946 -0.562 1.00 0.00 H new ATOM 0 HA ARG A 96 0.319 6.153 -1.356 1.00 0.00 H new ATOM 0 HB2 ARG A 96 1.205 6.366 0.888 1.00 0.00 H new ATOM 0 HB3 ARG A 96 2.662 7.146 0.305 1.00 0.00 H new ATOM 0 HG2 ARG A 96 1.004 8.966 -0.631 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -0.130 8.272 0.509 1.00 0.00 H new ATOM 0 HD2 ARG A 96 0.845 9.885 1.853 1.00 0.00 H new ATOM 0 HD3 ARG A 96 1.879 8.519 2.223 1.00 0.00 H new ATOM 0 HE ARG A 96 3.169 9.686 0.081 1.00 0.00 H new ATOM 0 HH11 ARG A 96 1.925 10.866 3.167 1.00 0.00 H new ATOM 0 HH12 ARG A 96 3.147 12.134 3.306 1.00 0.00 H new ATOM 0 HH21 ARG A 96 4.735 11.317 0.267 1.00 0.00 H new ATOM 0 HH22 ARG A 96 4.731 12.389 1.672 1.00 0.00 H new ATOM 374 N SER A 97 3.001 7.728 -2.490 1.00 0.00 N ATOM 375 CA SER A 97 3.461 8.686 -3.488 1.00 0.00 C ATOM 376 C SER A 97 2.932 8.323 -4.873 1.00 0.00 C ATOM 377 O SER A 97 2.437 9.181 -5.606 1.00 0.00 O ATOM 378 CB SER A 97 4.989 8.738 -3.511 1.00 0.00 C ATOM 379 OG SER A 97 5.455 9.615 -4.522 1.00 0.00 O ATOM 0 H SER A 97 3.746 7.308 -1.934 1.00 0.00 H new ATOM 0 HA SER A 97 3.076 9.669 -3.216 1.00 0.00 H new ATOM 0 HB2 SER A 97 5.359 9.068 -2.540 1.00 0.00 H new ATOM 0 HB3 SER A 97 5.387 7.738 -3.681 1.00 0.00 H new ATOM 0 HG SER A 97 6.435 9.631 -4.515 1.00 0.00 H new ATOM 385 N LEU A 98 3.041 7.047 -5.224 1.00 0.00 N ATOM 386 CA LEU A 98 2.574 6.568 -6.521 1.00 0.00 C ATOM 387 C LEU A 98 1.130 6.992 -6.771 1.00 0.00 C ATOM 388 O LEU A 98 0.830 7.659 -7.761 1.00 0.00 O ATOM 389 CB LEU A 98 2.691 5.045 -6.596 1.00 0.00 C ATOM 390 CG LEU A 98 4.083 4.492 -6.905 1.00 0.00 C ATOM 391 CD1 LEU A 98 4.187 3.037 -6.476 1.00 0.00 C ATOM 392 CD2 LEU A 98 4.397 4.637 -8.387 1.00 0.00 C ATOM 0 H LEU A 98 3.448 6.325 -4.629 1.00 0.00 H new ATOM 0 HA LEU A 98 3.202 7.013 -7.293 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.359 4.628 -5.645 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.001 4.685 -7.360 1.00 0.00 H new ATOM 0 HG LEU A 98 4.816 5.069 -6.340 1.00 0.00 H new ATOM 0 HD11 LEU A 98 5.184 2.661 -6.704 1.00 0.00 H new ATOM 0 HD12 LEU A 98 4.006 2.960 -5.404 1.00 0.00 H new ATOM 0 HD13 LEU A 98 3.445 2.446 -7.012 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.391 4.238 -8.589 1.00 0.00 H new ATOM 0 HD22 LEU A 98 3.660 4.086 -8.971 1.00 0.00 H new ATOM 0 HD23 LEU A 98 4.365 5.691 -8.664 1.00 0.00 H new ATOM 404 N PHE A 99 0.240 6.602 -5.865 1.00 0.00 N ATOM 405 CA PHE A 99 -1.173 6.943 -5.986 1.00 0.00 C ATOM 406 C PHE A 99 -1.375 8.454 -5.932 1.00 0.00 C ATOM 407 O PHE A 99 -2.201 9.006 -6.657 1.00 0.00 O ATOM 408 CB PHE A 99 -1.979 6.269 -4.873 1.00 0.00 C ATOM 409 CG PHE A 99 -2.176 4.795 -5.083 1.00 0.00 C ATOM 410 CD1 PHE A 99 -3.231 4.326 -5.848 1.00 0.00 C ATOM 411 CD2 PHE A 99 -1.305 3.879 -4.515 1.00 0.00 C ATOM 412 CE1 PHE A 99 -3.415 2.970 -6.043 1.00 0.00 C ATOM 413 CE2 PHE A 99 -1.483 2.522 -4.708 1.00 0.00 C ATOM 414 CZ PHE A 99 -2.540 2.067 -5.471 1.00 0.00 C ATOM 0 H PHE A 99 0.472 6.050 -5.039 1.00 0.00 H new ATOM 0 HA PHE A 99 -1.527 6.582 -6.952 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -1.472 6.428 -3.921 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -2.954 6.751 -4.799 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -3.918 5.028 -6.297 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.478 4.229 -3.915 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.242 2.617 -6.642 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.796 1.818 -4.262 1.00 0.00 H new ATOM 0 HZ PHE A 99 -2.682 1.007 -5.620 1.00 0.00 H new ATOM 424 N GLU A 100 -0.613 9.116 -5.066 1.00 0.00 N ATOM 425 CA GLU A 100 -0.710 10.564 -4.917 1.00 0.00 C ATOM 426 C GLU A 100 -0.499 11.264 -6.256 1.00 0.00 C ATOM 427 O GLU A 100 -1.156 12.261 -6.557 1.00 0.00 O ATOM 428 CB GLU A 100 0.319 11.063 -3.900 1.00 0.00 C ATOM 429 CG GLU A 100 -0.202 11.097 -2.473 1.00 0.00 C ATOM 430 CD GLU A 100 0.486 12.149 -1.625 1.00 0.00 C ATOM 431 OE1 GLU A 100 1.648 12.490 -1.930 1.00 0.00 O ATOM 432 OE2 GLU A 100 -0.138 12.631 -0.657 1.00 0.00 O ATOM 0 H GLU A 100 0.077 8.674 -4.458 1.00 0.00 H new ATOM 0 HA GLU A 100 -1.711 10.801 -4.557 1.00 0.00 H new ATOM 0 HB2 GLU A 100 1.199 10.421 -3.941 1.00 0.00 H new ATOM 0 HB3 GLU A 100 0.642 12.065 -4.184 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.274 11.291 -2.486 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -0.061 10.118 -2.015 1.00 0.00 H new ATOM 439 N ARG A 101 0.423 10.736 -7.055 1.00 0.00 N ATOM 440 CA ARG A 101 0.722 11.311 -8.361 1.00 0.00 C ATOM 441 C ARG A 101 -0.405 11.029 -9.350 1.00 0.00 C ATOM 442 O ARG A 101 -0.833 11.916 -10.088 1.00 0.00 O ATOM 443 CB ARG A 101 2.040 10.750 -8.899 1.00 0.00 C ATOM 444 CG ARG A 101 3.270 11.442 -8.336 1.00 0.00 C ATOM 445 CD ARG A 101 4.541 10.961 -9.019 1.00 0.00 C ATOM 446 NE ARG A 101 4.859 11.753 -10.205 1.00 0.00 N ATOM 447 CZ ARG A 101 5.431 12.951 -10.157 1.00 0.00 C ATOM 448 NH1 ARG A 101 5.747 13.492 -8.988 1.00 0.00 N ATOM 449 NH2 ARG A 101 5.688 13.610 -11.279 1.00 0.00 N ATOM 0 H ARG A 101 0.976 9.911 -6.821 1.00 0.00 H new ATOM 0 HA ARG A 101 0.816 12.390 -8.242 1.00 0.00 H new ATOM 0 HB2 ARG A 101 2.094 9.686 -8.668 1.00 0.00 H new ATOM 0 HB3 ARG A 101 2.047 10.841 -9.985 1.00 0.00 H new ATOM 0 HG2 ARG A 101 3.173 12.520 -8.464 1.00 0.00 H new ATOM 0 HG3 ARG A 101 3.337 11.253 -7.265 1.00 0.00 H new ATOM 0 HD2 ARG A 101 5.372 11.012 -8.316 1.00 0.00 H new ATOM 0 HD3 ARG A 101 4.427 9.915 -9.302 1.00 0.00 H new ATOM 0 HE ARG A 101 4.629 11.365 -11.120 1.00 0.00 H new ATOM 0 HH11 ARG A 101 5.551 12.988 -8.123 1.00 0.00 H new ATOM 0 HH12 ARG A 101 6.186 14.412 -8.954 1.00 0.00 H new ATOM 0 HH21 ARG A 101 5.446 13.197 -12.180 1.00 0.00 H new ATOM 0 HH22 ARG A 101 6.127 14.530 -11.241 1.00 0.00 H new ATOM 463 N ARG A 102 -0.880 9.788 -9.360 1.00 0.00 N ATOM 464 CA ARG A 102 -1.956 9.388 -10.259 1.00 0.00 C ATOM 465 C ARG A 102 -3.303 9.894 -9.754 1.00 0.00 C ATOM 466 O ARG A 102 -4.350 9.571 -10.315 1.00 0.00 O ATOM 467 CB ARG A 102 -1.991 7.865 -10.401 1.00 0.00 C ATOM 468 CG ARG A 102 -0.959 7.320 -11.374 1.00 0.00 C ATOM 469 CD ARG A 102 0.425 7.268 -10.747 1.00 0.00 C ATOM 470 NE ARG A 102 1.478 7.156 -11.753 1.00 0.00 N ATOM 471 CZ ARG A 102 2.771 7.300 -11.482 1.00 0.00 C ATOM 472 NH1 ARG A 102 3.168 7.558 -10.244 1.00 0.00 N ATOM 473 NH2 ARG A 102 3.670 7.184 -12.452 1.00 0.00 N ATOM 0 H ARG A 102 -0.537 9.042 -8.755 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.764 9.833 -11.235 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -1.829 7.414 -9.422 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -2.985 7.562 -10.731 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -1.252 6.320 -11.695 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -0.932 7.946 -12.266 1.00 0.00 H new ATOM 0 HD2 ARG A 102 0.587 8.166 -10.151 1.00 0.00 H new ATOM 0 HD3 ARG A 102 0.483 6.419 -10.066 1.00 0.00 H new ATOM 0 HE ARG A 102 1.206 6.956 -12.716 1.00 0.00 H new ATOM 0 HH11 ARG A 102 2.480 7.647 -9.496 1.00 0.00 H new ATOM 0 HH12 ARG A 102 4.161 7.668 -10.039 1.00 0.00 H new ATOM 0 HH21 ARG A 102 3.368 6.984 -13.406 1.00 0.00 H new ATOM 0 HH22 ARG A 102 4.662 7.295 -12.244 1.00 0.00 H new ATOM 487 N GLY A 103 -3.270 10.689 -8.689 1.00 0.00 N ATOM 488 CA GLY A 103 -4.495 11.227 -8.125 1.00 0.00 C ATOM 489 C GLY A 103 -4.353 11.576 -6.657 1.00 0.00 C ATOM 490 O GLY A 103 -3.309 11.332 -6.052 1.00 0.00 O ATOM 0 H GLY A 103 -2.417 10.970 -8.206 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -4.786 12.118 -8.681 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -5.297 10.499 -8.246 1.00 0.00 H new ATOM 494 N ARG A 104 -5.404 12.152 -6.083 1.00 0.00 N ATOM 495 CA ARG A 104 -5.390 12.539 -4.678 1.00 0.00 C ATOM 496 C ARG A 104 -5.504 11.314 -3.776 1.00 0.00 C ATOM 497 O ARG A 104 -6.299 10.410 -4.034 1.00 0.00 O ATOM 498 CB ARG A 104 -6.535 13.510 -4.383 1.00 0.00 C ATOM 499 CG ARG A 104 -6.686 13.845 -2.908 1.00 0.00 C ATOM 500 CD ARG A 104 -5.855 15.060 -2.526 1.00 0.00 C ATOM 501 NE ARG A 104 -4.425 14.767 -2.521 1.00 0.00 N ATOM 502 CZ ARG A 104 -3.484 15.692 -2.677 1.00 0.00 C ATOM 503 NH1 ARG A 104 -3.821 16.962 -2.848 1.00 0.00 N ATOM 504 NH2 ARG A 104 -2.203 15.346 -2.662 1.00 0.00 N ATOM 0 H ARG A 104 -6.276 12.361 -6.569 1.00 0.00 H new ATOM 0 HA ARG A 104 -4.441 13.034 -4.473 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -6.371 14.432 -4.941 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -7.468 13.079 -4.746 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -7.735 14.035 -2.682 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -6.380 12.989 -2.306 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -6.056 15.871 -3.226 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -6.157 15.409 -1.538 1.00 0.00 H new ATOM 0 HE ARG A 104 -4.132 13.799 -2.391 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -4.805 17.231 -2.860 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -3.097 17.670 -2.968 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -1.940 14.369 -2.531 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -1.481 16.057 -2.782 1.00 0.00 H new ATOM 518 N VAL A 105 -4.702 11.290 -2.715 1.00 0.00 N ATOM 519 CA VAL A 105 -4.713 10.176 -1.774 1.00 0.00 C ATOM 520 C VAL A 105 -4.965 10.662 -0.351 1.00 0.00 C ATOM 521 O VAL A 105 -4.067 11.194 0.302 1.00 0.00 O ATOM 522 CB VAL A 105 -3.384 9.397 -1.811 1.00 0.00 C ATOM 523 CG1 VAL A 105 -3.362 8.328 -0.730 1.00 0.00 C ATOM 524 CG2 VAL A 105 -3.166 8.783 -3.186 1.00 0.00 C ATOM 0 H VAL A 105 -4.037 12.029 -2.486 1.00 0.00 H new ATOM 0 HA VAL A 105 -5.523 9.513 -2.077 1.00 0.00 H new ATOM 0 HB VAL A 105 -2.568 10.093 -1.616 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -2.416 7.788 -0.771 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -3.470 8.797 0.248 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.185 7.631 -0.891 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -2.223 8.236 -3.195 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -3.984 8.099 -3.413 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -3.135 9.573 -3.936 1.00 0.00 H new ATOM 534 N ILE A 106 -6.192 10.475 0.124 1.00 0.00 N ATOM 535 CA ILE A 106 -6.561 10.892 1.470 1.00 0.00 C ATOM 536 C ILE A 106 -5.984 9.946 2.517 1.00 0.00 C ATOM 537 O ILE A 106 -5.230 10.363 3.396 1.00 0.00 O ATOM 538 CB ILE A 106 -8.091 10.956 1.640 1.00 0.00 C ATOM 539 CG1 ILE A 106 -8.713 11.813 0.536 1.00 0.00 C ATOM 540 CG2 ILE A 106 -8.449 11.507 3.012 1.00 0.00 C ATOM 541 CD1 ILE A 106 -10.223 11.733 0.488 1.00 0.00 C ATOM 0 H ILE A 106 -6.947 10.037 -0.404 1.00 0.00 H new ATOM 0 HA ILE A 106 -6.145 11.889 1.616 1.00 0.00 H new ATOM 0 HB ILE A 106 -8.493 9.946 1.560 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -8.417 12.852 0.683 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -8.310 11.500 -0.427 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -9.533 11.546 3.117 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -8.033 10.860 3.784 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -8.038 12.511 3.120 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -10.595 12.365 -0.318 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -10.527 10.702 0.310 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -10.636 12.075 1.437 1.00 0.00 H new ATOM 553 N GLU A 107 -6.342 8.669 2.415 1.00 0.00 N ATOM 554 CA GLU A 107 -5.857 7.664 3.353 1.00 0.00 C ATOM 555 C GLU A 107 -4.959 6.651 2.650 1.00 0.00 C ATOM 556 O GLU A 107 -5.184 6.306 1.489 1.00 0.00 O ATOM 557 CB GLU A 107 -7.034 6.944 4.016 1.00 0.00 C ATOM 558 CG GLU A 107 -7.497 7.596 5.308 1.00 0.00 C ATOM 559 CD GLU A 107 -8.474 6.732 6.080 1.00 0.00 C ATOM 560 OE1 GLU A 107 -8.226 5.514 6.197 1.00 0.00 O ATOM 561 OE2 GLU A 107 -9.488 7.274 6.568 1.00 0.00 O ATOM 0 H GLU A 107 -6.965 8.307 1.693 1.00 0.00 H new ATOM 0 HA GLU A 107 -5.271 8.172 4.119 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -7.869 6.910 3.316 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -6.749 5.912 4.222 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -6.631 7.807 5.935 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -7.966 8.553 5.080 1.00 0.00 H new ATOM 568 N CYS A 108 -3.940 6.179 3.360 1.00 0.00 N ATOM 569 CA CYS A 108 -3.006 5.207 2.803 1.00 0.00 C ATOM 570 C CYS A 108 -2.297 4.437 3.913 1.00 0.00 C ATOM 571 O CYS A 108 -1.637 5.027 4.769 1.00 0.00 O ATOM 572 CB CYS A 108 -1.976 5.908 1.916 1.00 0.00 C ATOM 573 SG CYS A 108 -0.895 4.779 1.006 1.00 0.00 S ATOM 0 H CYS A 108 -3.740 6.453 4.322 1.00 0.00 H new ATOM 0 HA CYS A 108 -3.574 4.500 2.199 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -2.500 6.546 1.204 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -1.362 6.561 2.537 1.00 0.00 H new ATOM 0 HG CYS A 108 0.161 4.520 1.719 1.00 0.00 H new ATOM 579 N ASP A 109 -2.440 3.117 3.894 1.00 0.00 N ATOM 580 CA ASP A 109 -1.815 2.265 4.899 1.00 0.00 C ATOM 581 C ASP A 109 -1.220 1.015 4.258 1.00 0.00 C ATOM 582 O ASP A 109 -1.646 0.594 3.182 1.00 0.00 O ATOM 583 CB ASP A 109 -2.834 1.870 5.969 1.00 0.00 C ATOM 584 CG ASP A 109 -2.875 2.854 7.122 1.00 0.00 C ATOM 585 OD1 ASP A 109 -1.830 3.474 7.409 1.00 0.00 O ATOM 586 OD2 ASP A 109 -3.951 3.003 7.737 1.00 0.00 O ATOM 0 H ASP A 109 -2.984 2.613 3.193 1.00 0.00 H new ATOM 0 HA ASP A 109 -1.009 2.829 5.368 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -3.824 1.803 5.517 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -2.590 0.878 6.350 1.00 0.00 H new ATOM 591 N VAL A 110 -0.234 0.425 4.927 1.00 0.00 N ATOM 592 CA VAL A 110 0.419 -0.777 4.423 1.00 0.00 C ATOM 593 C VAL A 110 0.238 -1.945 5.385 1.00 0.00 C ATOM 594 O VAL A 110 0.298 -1.776 6.603 1.00 0.00 O ATOM 595 CB VAL A 110 1.925 -0.544 4.194 1.00 0.00 C ATOM 596 CG1 VAL A 110 2.635 -1.863 3.931 1.00 0.00 C ATOM 597 CG2 VAL A 110 2.144 0.428 3.044 1.00 0.00 C ATOM 0 H VAL A 110 0.130 0.760 5.819 1.00 0.00 H new ATOM 0 HA VAL A 110 -0.053 -1.018 3.470 1.00 0.00 H new ATOM 0 HB VAL A 110 2.349 -0.105 5.097 1.00 0.00 H new ATOM 0 HG11 VAL A 110 3.697 -1.679 3.772 1.00 0.00 H new ATOM 0 HG12 VAL A 110 2.506 -2.523 4.789 1.00 0.00 H new ATOM 0 HG13 VAL A 110 2.211 -2.334 3.044 1.00 0.00 H new ATOM 0 HG21 VAL A 110 3.213 0.581 2.896 1.00 0.00 H new ATOM 0 HG22 VAL A 110 1.706 0.019 2.133 1.00 0.00 H new ATOM 0 HG23 VAL A 110 1.670 1.381 3.278 1.00 0.00 H new ATOM 607 N VAL A 111 0.015 -3.133 4.830 1.00 0.00 N ATOM 608 CA VAL A 111 -0.174 -4.331 5.639 1.00 0.00 C ATOM 609 C VAL A 111 1.005 -5.286 5.490 1.00 0.00 C ATOM 610 O VAL A 111 1.896 -5.067 4.669 1.00 0.00 O ATOM 611 CB VAL A 111 -1.470 -5.069 5.254 1.00 0.00 C ATOM 612 CG1 VAL A 111 -1.913 -5.992 6.379 1.00 0.00 C ATOM 613 CG2 VAL A 111 -2.567 -4.073 4.908 1.00 0.00 C ATOM 0 H VAL A 111 -0.039 -3.291 3.824 1.00 0.00 H new ATOM 0 HA VAL A 111 -0.245 -4.005 6.677 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.272 -5.679 4.372 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -2.830 -6.505 6.089 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -1.133 -6.727 6.575 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -2.094 -5.406 7.280 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -3.476 -4.611 4.638 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -2.765 -3.436 5.770 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -2.247 -3.457 4.067 1.00 0.00 H new ATOM 623 N LYS A 112 1.004 -6.347 6.289 1.00 0.00 N ATOM 624 CA LYS A 112 2.072 -7.339 6.247 1.00 0.00 C ATOM 625 C LYS A 112 2.638 -7.468 4.836 1.00 0.00 C ATOM 626 O LYS A 112 3.725 -6.969 4.545 1.00 0.00 O ATOM 627 CB LYS A 112 1.555 -8.697 6.726 1.00 0.00 C ATOM 628 CG LYS A 112 1.707 -8.912 8.222 1.00 0.00 C ATOM 629 CD LYS A 112 0.500 -8.394 8.986 1.00 0.00 C ATOM 630 CE LYS A 112 0.677 -6.938 9.388 1.00 0.00 C ATOM 631 NZ LYS A 112 1.480 -6.801 10.635 1.00 0.00 N ATOM 0 H LYS A 112 0.274 -6.542 6.975 1.00 0.00 H new ATOM 0 HA LYS A 112 2.869 -7.006 6.912 1.00 0.00 H new ATOM 0 HB2 LYS A 112 0.502 -8.790 6.459 1.00 0.00 H new ATOM 0 HB3 LYS A 112 2.089 -9.487 6.198 1.00 0.00 H new ATOM 0 HG2 LYS A 112 1.839 -9.975 8.426 1.00 0.00 H new ATOM 0 HG3 LYS A 112 2.606 -8.406 8.574 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -0.393 -8.496 8.370 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.344 -9.002 9.877 1.00 0.00 H new ATOM 0 HE2 LYS A 112 1.166 -6.395 8.579 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -0.301 -6.480 9.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 1.578 -5.794 10.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 1.001 -7.298 11.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 2.423 -7.215 10.488 1.00 0.00 H new ATOM 645 N ASP A 113 1.894 -8.139 3.964 1.00 0.00 N ATOM 646 CA ASP A 113 2.321 -8.332 2.583 1.00 0.00 C ATOM 647 C ASP A 113 1.547 -7.413 1.642 1.00 0.00 C ATOM 648 O ASP A 113 2.104 -6.881 0.682 1.00 0.00 O ATOM 649 CB ASP A 113 2.127 -9.790 2.165 1.00 0.00 C ATOM 650 CG ASP A 113 2.809 -10.759 3.111 1.00 0.00 C ATOM 651 OD1 ASP A 113 4.048 -10.894 3.030 1.00 0.00 O ATOM 652 OD2 ASP A 113 2.104 -11.383 3.932 1.00 0.00 O ATOM 0 H ASP A 113 0.992 -8.559 4.189 1.00 0.00 H new ATOM 0 HA ASP A 113 3.380 -8.082 2.518 1.00 0.00 H new ATOM 0 HB2 ASP A 113 1.061 -10.015 2.125 1.00 0.00 H new ATOM 0 HB3 ASP A 113 2.520 -9.932 1.158 1.00 0.00 H new ATOM 657 N TYR A 114 0.262 -7.233 1.924 1.00 0.00 N ATOM 658 CA TYR A 114 -0.589 -6.381 1.101 1.00 0.00 C ATOM 659 C TYR A 114 -0.626 -4.958 1.648 1.00 0.00 C ATOM 660 O TYR A 114 0.068 -4.632 2.611 1.00 0.00 O ATOM 661 CB TYR A 114 -2.007 -6.952 1.036 1.00 0.00 C ATOM 662 CG TYR A 114 -2.620 -7.206 2.395 1.00 0.00 C ATOM 663 CD1 TYR A 114 -2.300 -8.348 3.120 1.00 0.00 C ATOM 664 CD2 TYR A 114 -3.519 -6.306 2.952 1.00 0.00 C ATOM 665 CE1 TYR A 114 -2.858 -8.585 4.361 1.00 0.00 C ATOM 666 CE2 TYR A 114 -4.081 -6.535 4.194 1.00 0.00 C ATOM 667 CZ TYR A 114 -3.748 -7.675 4.894 1.00 0.00 C ATOM 668 OH TYR A 114 -4.307 -7.907 6.130 1.00 0.00 O ATOM 0 H TYR A 114 -0.214 -7.665 2.716 1.00 0.00 H new ATOM 0 HA TYR A 114 -0.169 -6.353 0.095 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -2.643 -6.261 0.483 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -1.988 -7.886 0.475 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -1.603 -9.062 2.706 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -3.783 -5.413 2.406 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -2.599 -9.478 4.911 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -4.777 -5.824 4.614 1.00 0.00 H new ATOM 0 HH TYR A 114 -4.911 -7.170 6.360 1.00 0.00 H new ATOM 678 N ALA A 115 -1.442 -4.113 1.025 1.00 0.00 N ATOM 679 CA ALA A 115 -1.573 -2.725 1.449 1.00 0.00 C ATOM 680 C ALA A 115 -2.889 -2.125 0.966 1.00 0.00 C ATOM 681 O ALA A 115 -3.563 -2.693 0.106 1.00 0.00 O ATOM 682 CB ALA A 115 -0.398 -1.904 0.940 1.00 0.00 C ATOM 0 H ALA A 115 -2.022 -4.366 0.225 1.00 0.00 H new ATOM 0 HA ALA A 115 -1.572 -2.703 2.539 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.509 -0.869 1.264 1.00 0.00 H new ATOM 0 HB2 ALA A 115 0.531 -2.312 1.339 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -0.372 -1.942 -0.149 1.00 0.00 H new ATOM 688 N PHE A 116 -3.250 -0.974 1.524 1.00 0.00 N ATOM 689 CA PHE A 116 -4.487 -0.298 1.151 1.00 0.00 C ATOM 690 C PHE A 116 -4.242 1.188 0.907 1.00 0.00 C ATOM 691 O PHE A 116 -3.638 1.873 1.732 1.00 0.00 O ATOM 692 CB PHE A 116 -5.543 -0.481 2.243 1.00 0.00 C ATOM 693 CG PHE A 116 -6.398 -1.701 2.053 1.00 0.00 C ATOM 694 CD1 PHE A 116 -6.010 -2.923 2.576 1.00 0.00 C ATOM 695 CD2 PHE A 116 -7.590 -1.624 1.351 1.00 0.00 C ATOM 696 CE1 PHE A 116 -6.795 -4.048 2.403 1.00 0.00 C ATOM 697 CE2 PHE A 116 -8.379 -2.745 1.175 1.00 0.00 C ATOM 698 CZ PHE A 116 -7.980 -3.959 1.701 1.00 0.00 C ATOM 0 H PHE A 116 -2.703 -0.490 2.236 1.00 0.00 H new ATOM 0 HA PHE A 116 -4.851 -0.745 0.226 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -5.046 -0.543 3.211 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -6.183 0.401 2.269 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -5.083 -2.998 3.126 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -7.906 -0.678 0.937 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -6.481 -4.995 2.817 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -9.307 -2.672 0.627 1.00 0.00 H new ATOM 0 HZ PHE A 116 -8.594 -4.837 1.563 1.00 0.00 H new ATOM 708 N VAL A 117 -4.717 1.681 -0.233 1.00 0.00 N ATOM 709 CA VAL A 117 -4.551 3.085 -0.586 1.00 0.00 C ATOM 710 C VAL A 117 -5.885 3.718 -0.967 1.00 0.00 C ATOM 711 O VAL A 117 -6.468 3.388 -2.000 1.00 0.00 O ATOM 712 CB VAL A 117 -3.562 3.257 -1.755 1.00 0.00 C ATOM 713 CG1 VAL A 117 -3.370 4.730 -2.080 1.00 0.00 C ATOM 714 CG2 VAL A 117 -2.231 2.597 -1.427 1.00 0.00 C ATOM 0 H VAL A 117 -5.220 1.128 -0.927 1.00 0.00 H new ATOM 0 HA VAL A 117 -4.152 3.587 0.295 1.00 0.00 H new ATOM 0 HB VAL A 117 -3.978 2.767 -2.635 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -2.668 4.831 -2.908 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -4.328 5.169 -2.360 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -2.976 5.247 -1.205 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -1.544 2.728 -2.263 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -1.807 3.057 -0.534 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -2.387 1.533 -1.248 1.00 0.00 H new ATOM 724 N HIS A 118 -6.363 4.629 -0.126 1.00 0.00 N ATOM 725 CA HIS A 118 -7.629 5.310 -0.374 1.00 0.00 C ATOM 726 C HIS A 118 -7.440 6.471 -1.346 1.00 0.00 C ATOM 727 O HIS A 118 -6.336 6.993 -1.497 1.00 0.00 O ATOM 728 CB HIS A 118 -8.224 5.820 0.938 1.00 0.00 C ATOM 729 CG HIS A 118 -8.547 4.730 1.913 1.00 0.00 C ATOM 730 ND1 HIS A 118 -7.678 3.700 2.205 1.00 0.00 N ATOM 731 CD2 HIS A 118 -9.651 4.514 2.666 1.00 0.00 C ATOM 732 CE1 HIS A 118 -8.235 2.896 3.094 1.00 0.00 C ATOM 733 NE2 HIS A 118 -9.432 3.369 3.391 1.00 0.00 N ATOM 0 H HIS A 118 -5.893 4.913 0.734 1.00 0.00 H new ATOM 0 HA HIS A 118 -8.317 4.593 -0.821 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -7.522 6.514 1.401 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -9.132 6.383 0.721 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -10.539 5.128 2.692 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -7.788 2.004 3.507 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -10.087 2.951 4.052 1.00 0.00 H new ATOM 741 N MET A 119 -8.524 6.869 -2.003 1.00 0.00 N ATOM 742 CA MET A 119 -8.477 7.968 -2.960 1.00 0.00 C ATOM 743 C MET A 119 -9.822 8.684 -3.032 1.00 0.00 C ATOM 744 O MET A 119 -10.863 8.100 -2.729 1.00 0.00 O ATOM 745 CB MET A 119 -8.087 7.450 -4.345 1.00 0.00 C ATOM 746 CG MET A 119 -6.604 7.144 -4.484 1.00 0.00 C ATOM 747 SD MET A 119 -6.140 6.708 -6.171 1.00 0.00 S ATOM 748 CE MET A 119 -6.122 8.322 -6.946 1.00 0.00 C ATOM 0 H MET A 119 -9.446 6.447 -1.890 1.00 0.00 H new ATOM 0 HA MET A 119 -7.724 8.680 -2.621 1.00 0.00 H new ATOM 0 HB2 MET A 119 -8.658 6.547 -4.560 1.00 0.00 H new ATOM 0 HB3 MET A 119 -8.369 8.191 -5.094 1.00 0.00 H new ATOM 0 HG2 MET A 119 -6.026 8.012 -4.165 1.00 0.00 H new ATOM 0 HG3 MET A 119 -6.342 6.324 -3.816 1.00 0.00 H new ATOM 0 HE1 MET A 119 -5.588 8.264 -7.894 1.00 0.00 H new ATOM 0 HE2 MET A 119 -7.146 8.651 -7.125 1.00 0.00 H new ATOM 0 HE3 MET A 119 -5.621 9.035 -6.291 1.00 0.00 H new ATOM 758 N GLU A 120 -9.793 9.950 -3.435 1.00 0.00 N ATOM 759 CA GLU A 120 -11.011 10.744 -3.546 1.00 0.00 C ATOM 760 C GLU A 120 -11.602 10.643 -4.949 1.00 0.00 C ATOM 761 O GLU A 120 -12.713 10.146 -5.134 1.00 0.00 O ATOM 762 CB GLU A 120 -10.725 12.209 -3.206 1.00 0.00 C ATOM 763 CG GLU A 120 -11.957 13.096 -3.249 1.00 0.00 C ATOM 764 CD GLU A 120 -12.212 13.675 -4.627 1.00 0.00 C ATOM 765 OE1 GLU A 120 -11.536 14.660 -4.990 1.00 0.00 O ATOM 766 OE2 GLU A 120 -13.087 13.143 -5.342 1.00 0.00 O ATOM 0 H GLU A 120 -8.940 10.448 -3.690 1.00 0.00 H new ATOM 0 HA GLU A 120 -11.737 10.348 -2.836 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -10.284 12.263 -2.211 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -9.984 12.597 -3.905 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -12.827 12.519 -2.935 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -11.839 13.910 -2.533 1.00 0.00 H new ATOM 773 N LYS A 121 -10.850 11.117 -5.937 1.00 0.00 N ATOM 774 CA LYS A 121 -11.296 11.080 -7.325 1.00 0.00 C ATOM 775 C LYS A 121 -11.340 9.646 -7.844 1.00 0.00 C ATOM 776 O LYS A 121 -10.313 8.972 -7.916 1.00 0.00 O ATOM 777 CB LYS A 121 -10.369 11.924 -8.203 1.00 0.00 C ATOM 778 CG LYS A 121 -10.328 13.390 -7.811 1.00 0.00 C ATOM 779 CD LYS A 121 -9.273 14.149 -8.598 1.00 0.00 C ATOM 780 CE LYS A 121 -9.678 14.317 -10.054 1.00 0.00 C ATOM 781 NZ LYS A 121 -9.067 15.531 -10.663 1.00 0.00 N ATOM 0 H LYS A 121 -9.928 11.532 -5.802 1.00 0.00 H new ATOM 0 HA LYS A 121 -12.303 11.494 -7.368 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -9.360 11.514 -8.150 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -10.692 11.843 -9.241 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -11.305 13.841 -7.983 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -10.120 13.477 -6.745 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -9.116 15.129 -8.147 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -8.323 13.617 -8.542 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -9.375 13.436 -10.619 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -10.764 14.383 -10.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -9.367 15.610 -11.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -9.376 16.375 -10.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -8.031 15.457 -10.620 1.00 0.00 H new ATOM 795 N GLU A 122 -12.534 9.189 -8.205 1.00 0.00 N ATOM 796 CA GLU A 122 -12.710 7.835 -8.719 1.00 0.00 C ATOM 797 C GLU A 122 -11.919 7.636 -10.009 1.00 0.00 C ATOM 798 O GLU A 122 -11.102 6.722 -10.113 1.00 0.00 O ATOM 799 CB GLU A 122 -14.192 7.548 -8.967 1.00 0.00 C ATOM 800 CG GLU A 122 -14.441 6.285 -9.774 1.00 0.00 C ATOM 801 CD GLU A 122 -15.912 6.059 -10.065 1.00 0.00 C ATOM 802 OE1 GLU A 122 -16.553 6.971 -10.629 1.00 0.00 O ATOM 803 OE2 GLU A 122 -16.422 4.970 -9.729 1.00 0.00 O ATOM 0 H GLU A 122 -13.394 9.735 -8.151 1.00 0.00 H new ATOM 0 HA GLU A 122 -12.333 7.138 -7.971 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -14.702 7.462 -8.008 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -14.635 8.396 -9.489 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -13.894 6.346 -10.715 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -14.046 5.427 -9.230 1.00 0.00 H new ATOM 810 N ALA A 123 -12.170 8.498 -10.989 1.00 0.00 N ATOM 811 CA ALA A 123 -11.482 8.418 -12.271 1.00 0.00 C ATOM 812 C ALA A 123 -9.995 8.138 -12.080 1.00 0.00 C ATOM 813 O ALA A 123 -9.439 7.235 -12.704 1.00 0.00 O ATOM 814 CB ALA A 123 -11.681 9.705 -13.058 1.00 0.00 C ATOM 0 H ALA A 123 -12.845 9.260 -10.919 1.00 0.00 H new ATOM 0 HA ALA A 123 -11.912 7.590 -12.834 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -11.162 9.631 -14.013 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -12.745 9.863 -13.235 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -11.279 10.544 -12.490 1.00 0.00 H new ATOM 820 N ASP A 124 -9.358 8.918 -11.214 1.00 0.00 N ATOM 821 CA ASP A 124 -7.935 8.753 -10.940 1.00 0.00 C ATOM 822 C ASP A 124 -7.658 7.398 -10.296 1.00 0.00 C ATOM 823 O ASP A 124 -6.635 6.770 -10.564 1.00 0.00 O ATOM 824 CB ASP A 124 -7.436 9.876 -10.028 1.00 0.00 C ATOM 825 CG ASP A 124 -7.320 11.202 -10.754 1.00 0.00 C ATOM 826 OD1 ASP A 124 -7.185 11.190 -11.995 1.00 0.00 O ATOM 827 OD2 ASP A 124 -7.364 12.252 -10.080 1.00 0.00 O ATOM 0 H ASP A 124 -9.804 9.671 -10.690 1.00 0.00 H new ATOM 0 HA ASP A 124 -7.400 8.800 -11.889 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -8.118 9.985 -9.184 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -6.463 9.603 -9.619 1.00 0.00 H new ATOM 832 N ALA A 125 -8.578 6.954 -9.446 1.00 0.00 N ATOM 833 CA ALA A 125 -8.434 5.674 -8.765 1.00 0.00 C ATOM 834 C ALA A 125 -8.187 4.546 -9.762 1.00 0.00 C ATOM 835 O ALA A 125 -7.167 3.860 -9.699 1.00 0.00 O ATOM 836 CB ALA A 125 -9.670 5.379 -7.928 1.00 0.00 C ATOM 0 H ALA A 125 -9.431 7.462 -9.213 1.00 0.00 H new ATOM 0 HA ALA A 125 -7.568 5.737 -8.106 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -9.548 4.420 -7.425 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -9.802 6.165 -7.184 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -10.547 5.341 -8.575 1.00 0.00 H new ATOM 842 N LYS A 126 -9.127 4.360 -10.682 1.00 0.00 N ATOM 843 CA LYS A 126 -9.012 3.317 -11.694 1.00 0.00 C ATOM 844 C LYS A 126 -7.750 3.505 -12.529 1.00 0.00 C ATOM 845 O LYS A 126 -6.928 2.596 -12.644 1.00 0.00 O ATOM 846 CB LYS A 126 -10.243 3.321 -12.603 1.00 0.00 C ATOM 847 CG LYS A 126 -11.448 2.621 -11.999 1.00 0.00 C ATOM 848 CD LYS A 126 -12.311 3.585 -11.202 1.00 0.00 C ATOM 849 CE LYS A 126 -13.702 3.018 -10.960 1.00 0.00 C ATOM 850 NZ LYS A 126 -13.769 2.234 -9.696 1.00 0.00 N ATOM 0 H LYS A 126 -9.978 4.919 -10.748 1.00 0.00 H new ATOM 0 HA LYS A 126 -8.948 2.356 -11.183 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -10.510 4.352 -12.834 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -9.989 2.839 -13.547 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -12.043 2.169 -12.793 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -11.113 1.811 -11.352 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -11.833 3.798 -10.246 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -12.391 4.531 -11.737 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -14.425 3.833 -10.921 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -13.985 2.381 -11.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -14.281 1.345 -9.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -12.805 2.021 -9.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -14.267 2.787 -8.970 1.00 0.00 H new ATOM 864 N ALA A 127 -7.601 4.692 -13.110 1.00 0.00 N ATOM 865 CA ALA A 127 -6.437 5.000 -13.931 1.00 0.00 C ATOM 866 C ALA A 127 -5.153 4.519 -13.266 1.00 0.00 C ATOM 867 O ALA A 127 -4.314 3.882 -13.902 1.00 0.00 O ATOM 868 CB ALA A 127 -6.365 6.496 -14.203 1.00 0.00 C ATOM 0 H ALA A 127 -8.272 5.455 -13.027 1.00 0.00 H new ATOM 0 HA ALA A 127 -6.542 4.473 -14.880 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -5.491 6.712 -14.817 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -7.266 6.814 -14.728 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -6.287 7.034 -13.258 1.00 0.00 H new ATOM 874 N ALA A 128 -5.005 4.828 -11.982 1.00 0.00 N ATOM 875 CA ALA A 128 -3.823 4.425 -11.230 1.00 0.00 C ATOM 876 C ALA A 128 -3.664 2.908 -11.228 1.00 0.00 C ATOM 877 O ALA A 128 -2.589 2.388 -11.530 1.00 0.00 O ATOM 878 CB ALA A 128 -3.899 4.951 -9.804 1.00 0.00 C ATOM 0 H ALA A 128 -5.689 5.356 -11.441 1.00 0.00 H new ATOM 0 HA ALA A 128 -2.949 4.855 -11.718 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -3.010 4.642 -9.254 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -3.956 6.039 -9.820 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -4.786 4.549 -9.315 1.00 0.00 H new ATOM 884 N ILE A 129 -4.738 2.206 -10.886 1.00 0.00 N ATOM 885 CA ILE A 129 -4.717 0.749 -10.846 1.00 0.00 C ATOM 886 C ILE A 129 -4.223 0.170 -12.168 1.00 0.00 C ATOM 887 O ILE A 129 -3.627 -0.906 -12.202 1.00 0.00 O ATOM 888 CB ILE A 129 -6.111 0.174 -10.535 1.00 0.00 C ATOM 889 CG1 ILE A 129 -6.617 0.703 -9.191 1.00 0.00 C ATOM 890 CG2 ILE A 129 -6.067 -1.347 -10.529 1.00 0.00 C ATOM 891 CD1 ILE A 129 -8.011 0.231 -8.842 1.00 0.00 C ATOM 0 H ILE A 129 -5.634 2.622 -10.632 1.00 0.00 H new ATOM 0 HA ILE A 129 -4.030 0.465 -10.049 1.00 0.00 H new ATOM 0 HB ILE A 129 -6.802 0.495 -11.314 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -5.929 0.391 -8.405 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -6.606 1.793 -9.211 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -7.060 -1.739 -10.308 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -5.745 -1.706 -11.507 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -5.365 -1.688 -9.768 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -8.304 0.645 -7.877 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -8.711 0.565 -9.608 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -8.024 -0.858 -8.789 1.00 0.00 H new ATOM 903 N ALA A 130 -4.476 0.892 -13.255 1.00 0.00 N ATOM 904 CA ALA A 130 -4.054 0.452 -14.579 1.00 0.00 C ATOM 905 C ALA A 130 -2.556 0.661 -14.776 1.00 0.00 C ATOM 906 O ALA A 130 -1.853 -0.232 -15.248 1.00 0.00 O ATOM 907 CB ALA A 130 -4.837 1.190 -15.654 1.00 0.00 C ATOM 0 H ALA A 130 -4.971 1.784 -13.245 1.00 0.00 H new ATOM 0 HA ALA A 130 -4.259 -0.615 -14.663 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -4.512 0.852 -16.638 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -5.901 0.986 -15.534 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -4.660 2.262 -15.562 1.00 0.00 H new ATOM 913 N GLN A 131 -2.076 1.845 -14.411 1.00 0.00 N ATOM 914 CA GLN A 131 -0.661 2.170 -14.549 1.00 0.00 C ATOM 915 C GLN A 131 0.136 1.650 -13.358 1.00 0.00 C ATOM 916 O GLN A 131 1.361 1.779 -13.313 1.00 0.00 O ATOM 917 CB GLN A 131 -0.474 3.683 -14.681 1.00 0.00 C ATOM 918 CG GLN A 131 -0.814 4.220 -16.062 1.00 0.00 C ATOM 919 CD GLN A 131 -0.117 3.458 -17.172 1.00 0.00 C ATOM 920 OE1 GLN A 131 1.108 3.336 -17.182 1.00 0.00 O ATOM 921 NE2 GLN A 131 -0.896 2.941 -18.115 1.00 0.00 N ATOM 0 H GLN A 131 -2.645 2.595 -14.018 1.00 0.00 H new ATOM 0 HA GLN A 131 -0.289 1.685 -15.451 1.00 0.00 H new ATOM 0 HB2 GLN A 131 -1.099 4.184 -13.942 1.00 0.00 H new ATOM 0 HB3 GLN A 131 0.560 3.935 -14.447 1.00 0.00 H new ATOM 0 HG2 GLN A 131 -1.892 4.168 -16.212 1.00 0.00 H new ATOM 0 HG3 GLN A 131 -0.535 5.272 -16.118 1.00 0.00 H new ATOM 0 HE21 GLN A 131 -1.907 3.067 -18.067 1.00 0.00 H new ATOM 0 HE22 GLN A 131 -0.483 2.418 -18.887 1.00 0.00 H new ATOM 930 N LEU A 132 -0.564 1.061 -12.395 1.00 0.00 N ATOM 931 CA LEU A 132 0.078 0.521 -11.202 1.00 0.00 C ATOM 932 C LEU A 132 0.041 -1.004 -11.207 1.00 0.00 C ATOM 933 O LEU A 132 1.059 -1.660 -10.991 1.00 0.00 O ATOM 934 CB LEU A 132 -0.608 1.055 -9.943 1.00 0.00 C ATOM 935 CG LEU A 132 -0.270 2.494 -9.555 1.00 0.00 C ATOM 936 CD1 LEU A 132 -1.012 2.893 -8.288 1.00 0.00 C ATOM 937 CD2 LEU A 132 1.231 2.659 -9.370 1.00 0.00 C ATOM 0 H LEU A 132 -1.577 0.945 -12.417 1.00 0.00 H new ATOM 0 HA LEU A 132 1.120 0.841 -11.204 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -1.687 0.981 -10.082 1.00 0.00 H new ATOM 0 HB3 LEU A 132 -0.349 0.404 -9.108 1.00 0.00 H new ATOM 0 HG LEU A 132 -0.590 3.152 -10.363 1.00 0.00 H new ATOM 0 HD11 LEU A 132 -0.759 3.921 -8.027 1.00 0.00 H new ATOM 0 HD12 LEU A 132 -2.086 2.815 -8.456 1.00 0.00 H new ATOM 0 HD13 LEU A 132 -0.723 2.230 -7.473 1.00 0.00 H new ATOM 0 HD21 LEU A 132 1.452 3.690 -9.094 1.00 0.00 H new ATOM 0 HD22 LEU A 132 1.576 1.990 -8.582 1.00 0.00 H new ATOM 0 HD23 LEU A 132 1.741 2.415 -10.302 1.00 0.00 H new ATOM 949 N ASN A 133 -1.139 -1.562 -11.458 1.00 0.00 N ATOM 950 CA ASN A 133 -1.308 -3.010 -11.493 1.00 0.00 C ATOM 951 C ASN A 133 -0.211 -3.666 -12.325 1.00 0.00 C ATOM 952 O ASN A 133 -0.299 -3.726 -13.551 1.00 0.00 O ATOM 953 CB ASN A 133 -2.681 -3.370 -12.064 1.00 0.00 C ATOM 954 CG ASN A 133 -2.851 -4.864 -12.263 1.00 0.00 C ATOM 955 OD1 ASN A 133 -2.048 -5.661 -11.777 1.00 0.00 O ATOM 956 ND2 ASN A 133 -3.900 -5.249 -12.980 1.00 0.00 N ATOM 0 H ASN A 133 -1.992 -1.033 -11.640 1.00 0.00 H new ATOM 0 HA ASN A 133 -1.237 -3.384 -10.472 1.00 0.00 H new ATOM 0 HB2 ASN A 133 -3.458 -3.005 -11.392 1.00 0.00 H new ATOM 0 HB3 ASN A 133 -2.820 -2.861 -13.018 1.00 0.00 H new ATOM 0 HD21 ASN A 133 -4.067 -6.241 -13.148 1.00 0.00 H new ATOM 0 HD22 ASN A 133 -4.539 -4.553 -13.363 1.00 0.00 H new ATOM 963 N GLY A 134 0.824 -4.156 -11.649 1.00 0.00 N ATOM 964 CA GLY A 134 1.924 -4.802 -12.342 1.00 0.00 C ATOM 965 C GLY A 134 3.205 -3.995 -12.273 1.00 0.00 C ATOM 966 O GLY A 134 4.300 -4.557 -12.230 1.00 0.00 O ATOM 0 H GLY A 134 0.920 -4.117 -10.634 1.00 0.00 H new ATOM 0 HA2 GLY A 134 2.095 -5.787 -11.908 1.00 0.00 H new ATOM 0 HA3 GLY A 134 1.651 -4.957 -13.386 1.00 0.00 H new ATOM 970 N LYS A 135 3.071 -2.673 -12.265 1.00 0.00 N ATOM 971 CA LYS A 135 4.227 -1.787 -12.201 1.00 0.00 C ATOM 972 C LYS A 135 5.313 -2.373 -11.304 1.00 0.00 C ATOM 973 O LYS A 135 5.080 -2.642 -10.127 1.00 0.00 O ATOM 974 CB LYS A 135 3.811 -0.409 -11.682 1.00 0.00 C ATOM 975 CG LYS A 135 4.984 0.507 -11.379 1.00 0.00 C ATOM 976 CD LYS A 135 4.621 1.967 -11.590 1.00 0.00 C ATOM 977 CE LYS A 135 5.853 2.859 -11.555 1.00 0.00 C ATOM 978 NZ LYS A 135 5.493 4.303 -11.600 1.00 0.00 N ATOM 0 H LYS A 135 2.173 -2.191 -12.302 1.00 0.00 H new ATOM 0 HA LYS A 135 4.630 -1.683 -13.209 1.00 0.00 H new ATOM 0 HB2 LYS A 135 3.169 0.070 -12.421 1.00 0.00 H new ATOM 0 HB3 LYS A 135 3.216 -0.535 -10.777 1.00 0.00 H new ATOM 0 HG2 LYS A 135 5.307 0.357 -10.349 1.00 0.00 H new ATOM 0 HG3 LYS A 135 5.826 0.245 -12.019 1.00 0.00 H new ATOM 0 HD2 LYS A 135 4.114 2.082 -12.548 1.00 0.00 H new ATOM 0 HD3 LYS A 135 3.919 2.284 -10.818 1.00 0.00 H new ATOM 0 HE2 LYS A 135 6.424 2.655 -10.649 1.00 0.00 H new ATOM 0 HE3 LYS A 135 6.499 2.619 -12.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 6.260 4.865 -11.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 5.352 4.595 -12.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 4.615 4.459 -11.064 1.00 0.00 H new ATOM 992 N GLU A 136 6.501 -2.566 -11.870 1.00 0.00 N ATOM 993 CA GLU A 136 7.622 -3.119 -11.120 1.00 0.00 C ATOM 994 C GLU A 136 8.120 -2.126 -10.073 1.00 0.00 C ATOM 995 O GLU A 136 8.597 -1.042 -10.408 1.00 0.00 O ATOM 996 CB GLU A 136 8.764 -3.492 -12.068 1.00 0.00 C ATOM 997 CG GLU A 136 9.829 -4.365 -11.424 1.00 0.00 C ATOM 998 CD GLU A 136 10.682 -5.093 -12.445 1.00 0.00 C ATOM 999 OE1 GLU A 136 11.465 -4.422 -13.150 1.00 0.00 O ATOM 1000 OE2 GLU A 136 10.566 -6.332 -12.540 1.00 0.00 O ATOM 0 H GLU A 136 6.711 -2.348 -12.844 1.00 0.00 H new ATOM 0 HA GLU A 136 7.275 -4.017 -10.608 1.00 0.00 H new ATOM 0 HB2 GLU A 136 8.352 -4.014 -12.932 1.00 0.00 H new ATOM 0 HB3 GLU A 136 9.230 -2.579 -12.439 1.00 0.00 H new ATOM 0 HG2 GLU A 136 10.470 -3.746 -10.796 1.00 0.00 H new ATOM 0 HG3 GLU A 136 9.350 -5.094 -10.770 1.00 0.00 H new ATOM 1007 N VAL A 137 8.004 -2.505 -8.805 1.00 0.00 N ATOM 1008 CA VAL A 137 8.442 -1.649 -7.708 1.00 0.00 C ATOM 1009 C VAL A 137 9.241 -2.441 -6.679 1.00 0.00 C ATOM 1010 O VAL A 137 8.867 -3.554 -6.308 1.00 0.00 O ATOM 1011 CB VAL A 137 7.245 -0.978 -7.008 1.00 0.00 C ATOM 1012 CG1 VAL A 137 7.721 -0.104 -5.858 1.00 0.00 C ATOM 1013 CG2 VAL A 137 6.432 -0.167 -8.004 1.00 0.00 C ATOM 0 H VAL A 137 7.611 -3.399 -8.511 1.00 0.00 H new ATOM 0 HA VAL A 137 9.078 -0.878 -8.142 1.00 0.00 H new ATOM 0 HB VAL A 137 6.602 -1.757 -6.599 1.00 0.00 H new ATOM 0 HG11 VAL A 137 6.862 0.362 -5.375 1.00 0.00 H new ATOM 0 HG12 VAL A 137 8.257 -0.717 -5.133 1.00 0.00 H new ATOM 0 HG13 VAL A 137 8.386 0.670 -6.241 1.00 0.00 H new ATOM 0 HG21 VAL A 137 5.590 0.300 -7.492 1.00 0.00 H new ATOM 0 HG22 VAL A 137 7.062 0.605 -8.445 1.00 0.00 H new ATOM 0 HG23 VAL A 137 6.059 -0.824 -8.790 1.00 0.00 H new ATOM 1023 N LYS A 138 10.343 -1.859 -6.219 1.00 0.00 N ATOM 1024 CA LYS A 138 11.196 -2.507 -5.230 1.00 0.00 C ATOM 1025 C LYS A 138 11.691 -3.857 -5.740 1.00 0.00 C ATOM 1026 O LYS A 138 11.972 -4.763 -4.956 1.00 0.00 O ATOM 1027 CB LYS A 138 10.436 -2.695 -3.915 1.00 0.00 C ATOM 1028 CG LYS A 138 10.303 -1.418 -3.103 1.00 0.00 C ATOM 1029 CD LYS A 138 11.549 -1.152 -2.275 1.00 0.00 C ATOM 1030 CE LYS A 138 12.646 -0.511 -3.110 1.00 0.00 C ATOM 1031 NZ LYS A 138 13.534 0.358 -2.288 1.00 0.00 N ATOM 0 H LYS A 138 10.667 -0.938 -6.516 1.00 0.00 H new ATOM 0 HA LYS A 138 12.059 -1.865 -5.055 1.00 0.00 H new ATOM 0 HB2 LYS A 138 9.441 -3.083 -4.132 1.00 0.00 H new ATOM 0 HB3 LYS A 138 10.947 -3.447 -3.314 1.00 0.00 H new ATOM 0 HG2 LYS A 138 10.124 -0.577 -3.773 1.00 0.00 H new ATOM 0 HG3 LYS A 138 9.437 -1.492 -2.445 1.00 0.00 H new ATOM 0 HD2 LYS A 138 11.299 -0.500 -1.438 1.00 0.00 H new ATOM 0 HD3 LYS A 138 11.913 -2.088 -1.852 1.00 0.00 H new ATOM 0 HE2 LYS A 138 13.241 -1.290 -3.587 1.00 0.00 H new ATOM 0 HE3 LYS A 138 12.196 0.080 -3.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 14.268 0.776 -2.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 12.971 1.117 -1.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 13.983 -0.211 -1.542 1.00 0.00 H new ATOM 1045 N GLY A 139 11.796 -3.984 -7.060 1.00 0.00 N ATOM 1046 CA GLY A 139 12.259 -5.226 -7.651 1.00 0.00 C ATOM 1047 C GLY A 139 11.145 -6.241 -7.813 1.00 0.00 C ATOM 1048 O GLY A 139 11.252 -7.170 -8.614 1.00 0.00 O ATOM 0 H GLY A 139 11.569 -3.249 -7.730 1.00 0.00 H new ATOM 0 HA2 GLY A 139 12.702 -5.018 -8.625 1.00 0.00 H new ATOM 0 HA3 GLY A 139 13.046 -5.651 -7.027 1.00 0.00 H new ATOM 1052 N LYS A 140 10.072 -6.066 -7.049 1.00 0.00 N ATOM 1053 CA LYS A 140 8.933 -6.975 -7.110 1.00 0.00 C ATOM 1054 C LYS A 140 7.726 -6.291 -7.744 1.00 0.00 C ATOM 1055 O LYS A 140 7.434 -5.131 -7.453 1.00 0.00 O ATOM 1056 CB LYS A 140 8.573 -7.469 -5.707 1.00 0.00 C ATOM 1057 CG LYS A 140 9.689 -8.247 -5.032 1.00 0.00 C ATOM 1058 CD LYS A 140 9.160 -9.116 -3.903 1.00 0.00 C ATOM 1059 CE LYS A 140 10.078 -10.298 -3.631 1.00 0.00 C ATOM 1060 NZ LYS A 140 10.048 -11.289 -4.742 1.00 0.00 N ATOM 0 H LYS A 140 9.967 -5.303 -6.380 1.00 0.00 H new ATOM 0 HA LYS A 140 9.213 -7.828 -7.728 1.00 0.00 H new ATOM 0 HB2 LYS A 140 8.311 -6.613 -5.085 1.00 0.00 H new ATOM 0 HB3 LYS A 140 7.687 -8.101 -5.769 1.00 0.00 H new ATOM 0 HG2 LYS A 140 10.194 -8.873 -5.768 1.00 0.00 H new ATOM 0 HG3 LYS A 140 10.432 -7.553 -4.640 1.00 0.00 H new ATOM 0 HD2 LYS A 140 9.059 -8.517 -2.998 1.00 0.00 H new ATOM 0 HD3 LYS A 140 8.164 -9.479 -4.158 1.00 0.00 H new ATOM 0 HE2 LYS A 140 11.098 -9.941 -3.490 1.00 0.00 H new ATOM 0 HE3 LYS A 140 9.779 -10.784 -2.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 10.379 -12.211 -4.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 9.075 -11.382 -5.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 10.669 -10.967 -5.512 1.00 0.00 H new ATOM 1074 N ARG A 141 7.027 -7.018 -8.610 1.00 0.00 N ATOM 1075 CA ARG A 141 5.852 -6.481 -9.285 1.00 0.00 C ATOM 1076 C ARG A 141 4.652 -6.446 -8.342 1.00 0.00 C ATOM 1077 O ARG A 141 4.115 -7.488 -7.966 1.00 0.00 O ATOM 1078 CB ARG A 141 5.518 -7.321 -10.520 1.00 0.00 C ATOM 1079 CG ARG A 141 6.370 -6.985 -11.733 1.00 0.00 C ATOM 1080 CD ARG A 141 5.718 -7.461 -13.021 1.00 0.00 C ATOM 1081 NE ARG A 141 6.442 -7.003 -14.203 1.00 0.00 N ATOM 1082 CZ ARG A 141 6.204 -7.452 -15.431 1.00 0.00 C ATOM 1083 NH1 ARG A 141 5.266 -8.366 -15.636 1.00 0.00 N ATOM 1084 NH2 ARG A 141 6.905 -6.985 -16.456 1.00 0.00 N ATOM 0 H ARG A 141 7.254 -7.980 -8.860 1.00 0.00 H new ATOM 0 HA ARG A 141 6.078 -5.461 -9.597 1.00 0.00 H new ATOM 0 HB2 ARG A 141 5.646 -8.376 -10.277 1.00 0.00 H new ATOM 0 HB3 ARG A 141 4.468 -7.178 -10.773 1.00 0.00 H new ATOM 0 HG2 ARG A 141 6.528 -5.908 -11.781 1.00 0.00 H new ATOM 0 HG3 ARG A 141 7.352 -7.447 -11.629 1.00 0.00 H new ATOM 0 HD2 ARG A 141 5.673 -8.550 -13.023 1.00 0.00 H new ATOM 0 HD3 ARG A 141 4.691 -7.099 -13.062 1.00 0.00 H new ATOM 0 HE ARG A 141 7.170 -6.300 -14.080 1.00 0.00 H new ATOM 0 HH11 ARG A 141 4.725 -8.726 -14.850 1.00 0.00 H new ATOM 0 HH12 ARG A 141 5.085 -8.709 -16.580 1.00 0.00 H new ATOM 0 HH21 ARG A 141 7.627 -6.281 -16.302 1.00 0.00 H new ATOM 0 HH22 ARG A 141 6.722 -7.330 -17.398 1.00 0.00 H new ATOM 1098 N ILE A 142 4.239 -5.241 -7.964 1.00 0.00 N ATOM 1099 CA ILE A 142 3.104 -5.070 -7.066 1.00 0.00 C ATOM 1100 C ILE A 142 1.785 -5.301 -7.797 1.00 0.00 C ATOM 1101 O ILE A 142 1.618 -4.883 -8.942 1.00 0.00 O ATOM 1102 CB ILE A 142 3.090 -3.665 -6.437 1.00 0.00 C ATOM 1103 CG1 ILE A 142 2.945 -2.597 -7.523 1.00 0.00 C ATOM 1104 CG2 ILE A 142 4.357 -3.435 -5.626 1.00 0.00 C ATOM 1105 CD1 ILE A 142 2.644 -1.218 -6.979 1.00 0.00 C ATOM 0 H ILE A 142 4.673 -4.369 -8.266 1.00 0.00 H new ATOM 0 HA ILE A 142 3.213 -5.812 -6.275 1.00 0.00 H new ATOM 0 HB ILE A 142 2.234 -3.592 -5.766 1.00 0.00 H new ATOM 0 HG12 ILE A 142 3.865 -2.556 -8.106 1.00 0.00 H new ATOM 0 HG13 ILE A 142 2.148 -2.891 -8.206 1.00 0.00 H new ATOM 0 HG21 ILE A 142 4.332 -2.437 -5.188 1.00 0.00 H new ATOM 0 HG22 ILE A 142 4.421 -4.179 -4.832 1.00 0.00 H new ATOM 0 HG23 ILE A 142 5.227 -3.524 -6.277 1.00 0.00 H new ATOM 0 HD11 ILE A 142 2.555 -0.513 -7.805 1.00 0.00 H new ATOM 0 HD12 ILE A 142 1.708 -1.243 -6.421 1.00 0.00 H new ATOM 0 HD13 ILE A 142 3.452 -0.903 -6.319 1.00 0.00 H new ATOM 1117 N ASN A 143 0.851 -5.967 -7.126 1.00 0.00 N ATOM 1118 CA ASN A 143 -0.454 -6.252 -7.711 1.00 0.00 C ATOM 1119 C ASN A 143 -1.522 -5.327 -7.135 1.00 0.00 C ATOM 1120 O ASN A 143 -1.960 -5.499 -5.997 1.00 0.00 O ATOM 1121 CB ASN A 143 -0.839 -7.711 -7.463 1.00 0.00 C ATOM 1122 CG ASN A 143 -0.140 -8.664 -8.413 1.00 0.00 C ATOM 1123 OD1 ASN A 143 -0.780 -9.317 -9.237 1.00 0.00 O ATOM 1124 ND2 ASN A 143 1.181 -8.747 -8.302 1.00 0.00 N ATOM 0 H ASN A 143 0.974 -6.319 -6.177 1.00 0.00 H new ATOM 0 HA ASN A 143 -0.389 -6.078 -8.785 1.00 0.00 H new ATOM 0 HB2 ASN A 143 -0.591 -7.980 -6.436 1.00 0.00 H new ATOM 0 HB3 ASN A 143 -1.918 -7.822 -7.570 1.00 0.00 H new ATOM 0 HD21 ASN A 143 1.706 -9.371 -8.915 1.00 0.00 H new ATOM 0 HD22 ASN A 143 1.670 -8.187 -7.604 1.00 0.00 H new ATOM 1131 N VAL A 144 -1.937 -4.345 -7.928 1.00 0.00 N ATOM 1132 CA VAL A 144 -2.955 -3.394 -7.499 1.00 0.00 C ATOM 1133 C VAL A 144 -4.318 -3.746 -8.084 1.00 0.00 C ATOM 1134 O VAL A 144 -4.421 -4.160 -9.238 1.00 0.00 O ATOM 1135 CB VAL A 144 -2.588 -1.955 -7.910 1.00 0.00 C ATOM 1136 CG1 VAL A 144 -3.657 -0.978 -7.445 1.00 0.00 C ATOM 1137 CG2 VAL A 144 -1.226 -1.573 -7.351 1.00 0.00 C ATOM 0 H VAL A 144 -1.584 -4.187 -8.872 1.00 0.00 H new ATOM 0 HA VAL A 144 -3.004 -3.452 -6.412 1.00 0.00 H new ATOM 0 HB VAL A 144 -2.535 -1.908 -8.998 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -3.381 0.033 -7.744 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -4.613 -1.242 -7.898 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -3.745 -1.024 -6.359 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -0.982 -0.554 -7.651 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -1.249 -1.636 -6.263 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -0.469 -2.256 -7.738 1.00 0.00 H new ATOM 1147 N GLU A 145 -5.363 -3.577 -7.280 1.00 0.00 N ATOM 1148 CA GLU A 145 -6.721 -3.877 -7.719 1.00 0.00 C ATOM 1149 C GLU A 145 -7.743 -3.092 -6.902 1.00 0.00 C ATOM 1150 O GLU A 145 -7.580 -2.907 -5.695 1.00 0.00 O ATOM 1151 CB GLU A 145 -6.999 -5.377 -7.599 1.00 0.00 C ATOM 1152 CG GLU A 145 -6.928 -5.898 -6.174 1.00 0.00 C ATOM 1153 CD GLU A 145 -6.641 -7.385 -6.109 1.00 0.00 C ATOM 1154 OE1 GLU A 145 -5.468 -7.771 -6.292 1.00 0.00 O ATOM 1155 OE2 GLU A 145 -7.590 -8.163 -5.877 1.00 0.00 O ATOM 0 H GLU A 145 -5.295 -3.234 -6.322 1.00 0.00 H new ATOM 0 HA GLU A 145 -6.812 -3.580 -8.764 1.00 0.00 H new ATOM 0 HB2 GLU A 145 -7.988 -5.588 -8.005 1.00 0.00 H new ATOM 0 HB3 GLU A 145 -6.280 -5.921 -8.212 1.00 0.00 H new ATOM 0 HG2 GLU A 145 -6.151 -5.358 -5.632 1.00 0.00 H new ATOM 0 HG3 GLU A 145 -7.871 -5.692 -5.669 1.00 0.00 H new ATOM 1162 N LEU A 146 -8.797 -2.633 -7.568 1.00 0.00 N ATOM 1163 CA LEU A 146 -9.847 -1.868 -6.905 1.00 0.00 C ATOM 1164 C LEU A 146 -10.484 -2.678 -5.780 1.00 0.00 C ATOM 1165 O LEU A 146 -11.066 -3.736 -6.018 1.00 0.00 O ATOM 1166 CB LEU A 146 -10.915 -1.448 -7.916 1.00 0.00 C ATOM 1167 CG LEU A 146 -12.197 -0.854 -7.330 1.00 0.00 C ATOM 1168 CD1 LEU A 146 -11.887 0.406 -6.537 1.00 0.00 C ATOM 1169 CD2 LEU A 146 -13.201 -0.558 -8.435 1.00 0.00 C ATOM 0 H LEU A 146 -8.947 -2.777 -8.567 1.00 0.00 H new ATOM 0 HA LEU A 146 -9.394 -0.976 -6.473 1.00 0.00 H new ATOM 0 HB2 LEU A 146 -10.477 -0.717 -8.595 1.00 0.00 H new ATOM 0 HB3 LEU A 146 -11.182 -2.319 -8.515 1.00 0.00 H new ATOM 0 HG LEU A 146 -12.638 -1.586 -6.653 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -12.811 0.815 -6.128 1.00 0.00 H new ATOM 0 HD12 LEU A 146 -11.205 0.164 -5.722 1.00 0.00 H new ATOM 0 HD13 LEU A 146 -11.423 1.143 -7.192 1.00 0.00 H new ATOM 0 HD21 LEU A 146 -14.107 -0.136 -8.000 1.00 0.00 H new ATOM 0 HD22 LEU A 146 -12.769 0.155 -9.137 1.00 0.00 H new ATOM 0 HD23 LEU A 146 -13.447 -1.481 -8.960 1.00 0.00 H new ATOM 1181 N SER A 147 -10.373 -2.172 -4.556 1.00 0.00 N ATOM 1182 CA SER A 147 -10.937 -2.850 -3.395 1.00 0.00 C ATOM 1183 C SER A 147 -12.415 -2.509 -3.232 1.00 0.00 C ATOM 1184 O SER A 147 -12.773 -1.556 -2.540 1.00 0.00 O ATOM 1185 CB SER A 147 -10.170 -2.461 -2.129 1.00 0.00 C ATOM 1186 OG SER A 147 -9.125 -3.380 -1.864 1.00 0.00 O ATOM 0 H SER A 147 -9.898 -1.295 -4.343 1.00 0.00 H new ATOM 0 HA SER A 147 -10.845 -3.925 -3.552 1.00 0.00 H new ATOM 0 HB2 SER A 147 -9.757 -1.459 -2.244 1.00 0.00 H new ATOM 0 HB3 SER A 147 -10.854 -2.429 -1.281 1.00 0.00 H new ATOM 0 HG SER A 147 -8.741 -3.193 -0.982 1.00 0.00 H new