USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 441 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 101 SER OG : rot 12:sc= -0.676! USER MOD Set 1.2: A 135 GLN : amide:sc= -0.421 K(o=-1.1,f=-4.1!) USER MOD Single : A 97 ASN : amide:sc= -0.0403 X(o=-0.04,f=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -4.2! K(o=-4.2!,f=-1.6) USER MOD Single : A 109 MET CE :methyl -154:sc= -6.06! (180deg=-9.69!) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -8.9! C(o=-8.9!,f=-15!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -170:sc= -0.896 USER MOD Single : A 124 MET CE :methyl 178:sc= -0.0155 (180deg=-0.0239) USER MOD Single : A 137 ASN : amide:sc= -10.1! K(o=-10!,f=-2.2) USER MOD Single : A 138 TYR OH : rot -15:sc= -3.36! USER MOD Single : A 143 GLN : amide:sc= -0.718 K(o=-0.72,f=0) USER MOD Single : A 144 MET CE :methyl -130:sc= -4.95! (180deg=-10.3!) USER MOD Single : A 145 MET CE :methyl 175:sc= -5.22! (180deg=-5.51!) USER MOD Single : A 146 THR OG1 : rot -57:sc= 1.01 USER MOD ----------------------------------------------------------------- ATOM 91 N GLU A 82 -5.727 -1.744 -7.542 1.00 0.00 N ATOM 92 CA GLU A 82 -5.915 -1.462 -6.092 1.00 0.00 C ATOM 93 C GLU A 82 -7.365 -1.754 -5.701 1.00 0.00 C ATOM 94 O GLU A 82 -7.760 -1.564 -4.569 1.00 0.00 O ATOM 95 CB GLU A 82 -5.581 0.005 -5.790 1.00 0.00 C ATOM 96 CG GLU A 82 -4.312 0.410 -6.548 1.00 0.00 C ATOM 97 CD GLU A 82 -4.386 1.893 -6.913 1.00 0.00 C ATOM 98 OE1 GLU A 82 -4.737 2.679 -6.049 1.00 0.00 O ATOM 99 OE2 GLU A 82 -4.092 2.218 -8.052 1.00 0.00 O ATOM 0 HA GLU A 82 -5.246 -2.100 -5.514 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.412 0.646 -6.084 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.436 0.142 -4.718 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -3.432 0.220 -5.933 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.207 -0.192 -7.450 1.00 0.00 H new ATOM 106 N GLU A 83 -8.163 -2.228 -6.621 1.00 0.00 N ATOM 107 CA GLU A 83 -9.578 -2.540 -6.276 1.00 0.00 C ATOM 108 C GLU A 83 -9.597 -3.291 -4.943 1.00 0.00 C ATOM 109 O GLU A 83 -10.536 -3.206 -4.178 1.00 0.00 O ATOM 110 CB GLU A 83 -10.205 -3.400 -7.378 1.00 0.00 C ATOM 111 CG GLU A 83 -9.721 -4.839 -7.240 1.00 0.00 C ATOM 112 CD GLU A 83 -10.447 -5.726 -8.253 1.00 0.00 C ATOM 113 OE1 GLU A 83 -10.281 -5.496 -9.440 1.00 0.00 O ATOM 114 OE2 GLU A 83 -11.155 -6.623 -7.825 1.00 0.00 O ATOM 0 H GLU A 83 -7.898 -2.411 -7.589 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.155 -1.619 -6.189 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.292 -3.363 -7.308 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -9.935 -3.007 -8.358 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.645 -4.888 -7.405 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -9.906 -5.200 -6.228 1.00 0.00 H new ATOM 121 N GLU A 84 -8.548 -4.016 -4.664 1.00 0.00 N ATOM 122 CA GLU A 84 -8.468 -4.770 -3.383 1.00 0.00 C ATOM 123 C GLU A 84 -7.593 -3.986 -2.400 1.00 0.00 C ATOM 124 O GLU A 84 -7.818 -3.998 -1.208 1.00 0.00 O ATOM 125 CB GLU A 84 -7.849 -6.148 -3.647 1.00 0.00 C ATOM 126 CG GLU A 84 -7.354 -6.762 -2.334 1.00 0.00 C ATOM 127 CD GLU A 84 -6.601 -8.060 -2.630 1.00 0.00 C ATOM 128 OE1 GLU A 84 -6.070 -8.178 -3.721 1.00 0.00 O ATOM 129 OE2 GLU A 84 -6.571 -8.916 -1.760 1.00 0.00 O ATOM 0 H GLU A 84 -7.737 -4.118 -5.274 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.464 -4.900 -2.960 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.586 -6.804 -4.109 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.021 -6.055 -4.349 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.701 -6.060 -1.816 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.197 -6.961 -1.673 1.00 0.00 H new ATOM 136 N ILE A 85 -6.595 -3.308 -2.899 1.00 0.00 N ATOM 137 CA ILE A 85 -5.696 -2.522 -2.005 1.00 0.00 C ATOM 138 C ILE A 85 -6.435 -1.282 -1.492 1.00 0.00 C ATOM 139 O ILE A 85 -6.689 -1.146 -0.312 1.00 0.00 O ATOM 140 CB ILE A 85 -4.463 -2.089 -2.796 1.00 0.00 C ATOM 141 CG1 ILE A 85 -3.585 -3.310 -3.079 1.00 0.00 C ATOM 142 CG2 ILE A 85 -3.671 -1.073 -1.976 1.00 0.00 C ATOM 143 CD1 ILE A 85 -3.827 -3.798 -4.508 1.00 0.00 C ATOM 0 H ILE A 85 -6.363 -3.264 -3.891 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.395 -3.136 -1.156 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.772 -1.638 -3.739 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.534 -3.053 -2.945 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.812 -4.106 -2.369 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.790 -0.761 -2.536 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.297 -0.204 -1.770 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.360 -1.528 -1.035 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.200 -4.667 -4.707 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.875 -4.072 -4.626 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -3.578 -3.003 -5.211 1.00 0.00 H new ATOM 155 N ARG A 86 -6.769 -0.373 -2.370 1.00 0.00 N ATOM 156 CA ARG A 86 -7.485 0.864 -1.949 1.00 0.00 C ATOM 157 C ARG A 86 -8.520 0.536 -0.871 1.00 0.00 C ATOM 158 O ARG A 86 -8.570 1.172 0.161 1.00 0.00 O ATOM 159 CB ARG A 86 -8.197 1.472 -3.157 1.00 0.00 C ATOM 160 CG ARG A 86 -7.869 2.961 -3.241 1.00 0.00 C ATOM 161 CD ARG A 86 -8.758 3.734 -2.264 1.00 0.00 C ATOM 162 NE ARG A 86 -9.932 4.289 -2.997 1.00 0.00 N ATOM 163 CZ ARG A 86 -11.108 4.300 -2.431 1.00 0.00 C ATOM 164 NH1 ARG A 86 -11.465 5.310 -1.685 1.00 0.00 N ATOM 165 NH2 ARG A 86 -11.928 3.301 -2.612 1.00 0.00 N ATOM 0 H ARG A 86 -6.574 -0.437 -3.369 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.761 1.572 -1.546 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -7.883 0.967 -4.070 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -9.274 1.330 -3.068 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -6.818 3.127 -3.003 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -8.027 3.322 -4.257 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -9.094 3.077 -1.462 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -8.191 4.540 -1.799 1.00 0.00 H new ATOM 0 HE ARG A 86 -9.816 4.660 -3.940 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -10.825 6.091 -1.544 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -12.384 5.318 -1.243 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -11.650 2.512 -3.196 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -12.847 3.309 -2.170 1.00 0.00 H new ATOM 179 N GLU A 87 -9.349 -0.447 -1.097 1.00 0.00 N ATOM 180 CA GLU A 87 -10.373 -0.799 -0.072 1.00 0.00 C ATOM 181 C GLU A 87 -9.668 -1.326 1.178 1.00 0.00 C ATOM 182 O GLU A 87 -10.045 -1.021 2.292 1.00 0.00 O ATOM 183 CB GLU A 87 -11.316 -1.872 -0.624 1.00 0.00 C ATOM 184 CG GLU A 87 -10.498 -3.038 -1.181 1.00 0.00 C ATOM 185 CD GLU A 87 -10.527 -4.204 -0.191 1.00 0.00 C ATOM 186 OE1 GLU A 87 -11.463 -4.985 -0.254 1.00 0.00 O ATOM 187 OE2 GLU A 87 -9.614 -4.298 0.613 1.00 0.00 O ATOM 0 H GLU A 87 -9.362 -1.019 -1.942 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.956 0.087 0.180 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.982 -2.225 0.164 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -11.945 -1.449 -1.407 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.904 -3.354 -2.142 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.470 -2.723 -1.357 1.00 0.00 H new ATOM 194 N ALA A 88 -8.637 -2.106 0.999 1.00 0.00 N ATOM 195 CA ALA A 88 -7.894 -2.641 2.172 1.00 0.00 C ATOM 196 C ALA A 88 -6.838 -1.621 2.588 1.00 0.00 C ATOM 197 O ALA A 88 -5.684 -1.947 2.776 1.00 0.00 O ATOM 198 CB ALA A 88 -7.207 -3.950 1.791 1.00 0.00 C ATOM 0 H ALA A 88 -8.278 -2.395 0.089 1.00 0.00 H new ATOM 0 HA ALA A 88 -8.585 -2.824 2.995 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.664 -4.340 2.652 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.957 -4.676 1.476 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.510 -3.770 0.973 1.00 0.00 H new ATOM 204 N PHE A 89 -7.236 -0.388 2.739 1.00 0.00 N ATOM 205 CA PHE A 89 -6.283 0.678 3.146 1.00 0.00 C ATOM 206 C PHE A 89 -6.949 2.054 3.047 1.00 0.00 C ATOM 207 O PHE A 89 -6.383 3.041 3.453 1.00 0.00 O ATOM 208 CB PHE A 89 -5.041 0.679 2.255 1.00 0.00 C ATOM 209 CG PHE A 89 -3.886 1.142 3.098 1.00 0.00 C ATOM 210 CD1 PHE A 89 -3.735 2.502 3.391 1.00 0.00 C ATOM 211 CD2 PHE A 89 -2.994 0.210 3.630 1.00 0.00 C ATOM 212 CE1 PHE A 89 -2.693 2.924 4.213 1.00 0.00 C ATOM 213 CE2 PHE A 89 -1.942 0.636 4.445 1.00 0.00 C ATOM 214 CZ PHE A 89 -1.794 1.991 4.738 1.00 0.00 C ATOM 0 H PHE A 89 -8.195 -0.071 2.595 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.989 0.475 4.176 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.852 -0.319 1.859 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.182 1.340 1.400 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.426 3.223 2.980 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.117 -0.841 3.412 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.579 3.973 4.445 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.244 -0.084 4.847 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.984 2.320 5.371 1.00 0.00 H new ATOM 224 N ARG A 90 -8.146 2.146 2.534 1.00 0.00 N ATOM 225 CA ARG A 90 -8.795 3.464 2.465 1.00 0.00 C ATOM 226 C ARG A 90 -8.918 3.973 3.885 1.00 0.00 C ATOM 227 O ARG A 90 -9.057 5.152 4.141 1.00 0.00 O ATOM 228 CB ARG A 90 -10.177 3.312 1.836 1.00 0.00 C ATOM 229 CG ARG A 90 -10.891 2.115 2.464 1.00 0.00 C ATOM 230 CD ARG A 90 -12.390 2.404 2.560 1.00 0.00 C ATOM 231 NE ARG A 90 -12.896 2.857 1.233 1.00 0.00 N ATOM 232 CZ ARG A 90 -14.040 3.479 1.150 1.00 0.00 C ATOM 233 NH1 ARG A 90 -15.142 2.866 1.484 1.00 0.00 N ATOM 234 NH2 ARG A 90 -14.083 4.715 0.732 1.00 0.00 N ATOM 0 H ARG A 90 -8.690 1.366 2.165 1.00 0.00 H new ATOM 0 HA ARG A 90 -8.218 4.162 1.859 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.761 4.220 1.990 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -10.085 3.171 0.759 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.720 1.221 1.864 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.485 1.916 3.456 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -12.924 1.509 2.878 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -12.576 3.170 3.313 1.00 0.00 H new ATOM 0 HE ARG A 90 -12.348 2.681 0.391 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -15.110 1.900 1.810 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -16.036 3.353 1.419 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -13.222 5.195 0.470 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -14.978 5.201 0.667 1.00 0.00 H new ATOM 248 N VAL A 91 -8.843 3.069 4.812 1.00 0.00 N ATOM 249 CA VAL A 91 -8.924 3.440 6.231 1.00 0.00 C ATOM 250 C VAL A 91 -8.047 4.667 6.473 1.00 0.00 C ATOM 251 O VAL A 91 -8.376 5.539 7.252 1.00 0.00 O ATOM 252 CB VAL A 91 -8.418 2.262 7.053 1.00 0.00 C ATOM 253 CG1 VAL A 91 -8.185 2.702 8.499 1.00 0.00 C ATOM 254 CG2 VAL A 91 -9.463 1.148 7.011 1.00 0.00 C ATOM 0 H VAL A 91 -8.727 2.071 4.636 1.00 0.00 H new ATOM 0 HA VAL A 91 -9.949 3.677 6.516 1.00 0.00 H new ATOM 0 HB VAL A 91 -7.476 1.900 6.641 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.823 1.856 9.083 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.444 3.501 8.521 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.121 3.063 8.925 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.112 0.298 7.596 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -10.401 1.513 7.428 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -9.622 0.837 5.979 1.00 0.00 H new ATOM 264 N PHE A 92 -6.929 4.737 5.802 1.00 0.00 N ATOM 265 CA PHE A 92 -6.023 5.894 5.976 1.00 0.00 C ATOM 266 C PHE A 92 -6.502 7.066 5.117 1.00 0.00 C ATOM 267 O PHE A 92 -6.513 8.202 5.548 1.00 0.00 O ATOM 268 CB PHE A 92 -4.629 5.493 5.564 1.00 0.00 C ATOM 269 CG PHE A 92 -4.094 4.545 6.604 1.00 0.00 C ATOM 270 CD1 PHE A 92 -4.587 3.240 6.676 1.00 0.00 C ATOM 271 CD2 PHE A 92 -3.122 4.978 7.506 1.00 0.00 C ATOM 272 CE1 PHE A 92 -4.104 2.363 7.654 1.00 0.00 C ATOM 273 CE2 PHE A 92 -2.634 4.102 8.485 1.00 0.00 C ATOM 274 CZ PHE A 92 -3.125 2.792 8.557 1.00 0.00 C ATOM 0 H PHE A 92 -6.607 4.034 5.137 1.00 0.00 H new ATOM 0 HA PHE A 92 -6.022 6.203 7.021 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.643 5.016 4.584 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.988 6.371 5.482 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -5.341 2.908 5.977 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -2.745 5.989 7.450 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.487 1.355 7.712 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.881 4.436 9.183 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.748 2.114 9.309 1.00 0.00 H new ATOM 284 N ASP A 93 -6.897 6.799 3.899 1.00 0.00 N ATOM 285 CA ASP A 93 -7.375 7.895 3.009 1.00 0.00 C ATOM 286 C ASP A 93 -8.894 8.039 3.138 1.00 0.00 C ATOM 287 O ASP A 93 -9.594 8.227 2.164 1.00 0.00 O ATOM 288 CB ASP A 93 -7.020 7.567 1.556 1.00 0.00 C ATOM 289 CG ASP A 93 -7.589 8.648 0.634 1.00 0.00 C ATOM 290 OD1 ASP A 93 -7.797 9.753 1.108 1.00 0.00 O ATOM 291 OD2 ASP A 93 -7.813 8.351 -0.527 1.00 0.00 O ATOM 0 H ASP A 93 -6.909 5.868 3.483 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.895 8.829 3.301 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -5.938 7.508 1.440 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.424 6.592 1.283 1.00 0.00 H new ATOM 337 N ASN A 97 -6.045 11.778 0.979 1.00 0.00 N ATOM 338 CA ASN A 97 -5.430 11.849 -0.379 1.00 0.00 C ATOM 339 C ASN A 97 -5.414 10.466 -1.037 1.00 0.00 C ATOM 340 O ASN A 97 -5.641 10.333 -2.222 1.00 0.00 O ATOM 341 CB ASN A 97 -3.993 12.360 -0.249 1.00 0.00 C ATOM 342 CG ASN A 97 -4.010 13.855 0.073 1.00 0.00 C ATOM 343 OD1 ASN A 97 -3.492 14.275 1.088 1.00 0.00 O ATOM 344 ND2 ASN A 97 -4.589 14.682 -0.755 1.00 0.00 N ATOM 0 HA ASN A 97 -6.019 12.525 -0.999 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -3.471 11.814 0.537 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -3.448 12.183 -1.176 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -4.606 15.681 -0.549 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -5.024 14.329 -1.607 1.00 0.00 H new ATOM 351 N GLY A 98 -5.130 9.441 -0.285 1.00 0.00 N ATOM 352 CA GLY A 98 -5.077 8.075 -0.873 1.00 0.00 C ATOM 353 C GLY A 98 -3.758 7.424 -0.464 1.00 0.00 C ATOM 354 O GLY A 98 -3.685 6.235 -0.227 1.00 0.00 O ATOM 0 H GLY A 98 -4.932 9.491 0.714 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -5.919 7.478 -0.522 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -5.154 8.127 -1.959 1.00 0.00 H new ATOM 358 N TYR A 99 -2.713 8.204 -0.371 1.00 0.00 N ATOM 359 CA TYR A 99 -1.398 7.642 0.031 1.00 0.00 C ATOM 360 C TYR A 99 -1.279 7.679 1.542 1.00 0.00 C ATOM 361 O TYR A 99 -2.233 7.954 2.244 1.00 0.00 O ATOM 362 CB TYR A 99 -0.280 8.470 -0.596 1.00 0.00 C ATOM 363 CG TYR A 99 -0.235 9.831 0.061 1.00 0.00 C ATOM 364 CD1 TYR A 99 0.480 10.018 1.252 1.00 0.00 C ATOM 365 CD2 TYR A 99 -0.910 10.910 -0.523 1.00 0.00 C ATOM 366 CE1 TYR A 99 0.522 11.279 1.854 1.00 0.00 C ATOM 367 CE2 TYR A 99 -0.869 12.172 0.080 1.00 0.00 C ATOM 368 CZ TYR A 99 -0.153 12.357 1.269 1.00 0.00 C ATOM 369 OH TYR A 99 -0.112 13.602 1.864 1.00 0.00 O ATOM 0 H TYR A 99 -2.717 9.207 -0.557 1.00 0.00 H new ATOM 0 HA TYR A 99 -1.317 6.611 -0.313 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.677 7.962 -0.473 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -0.448 8.577 -1.668 1.00 0.00 H new ATOM 0 HD1 TYR A 99 0.999 9.187 1.705 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -1.463 10.768 -1.440 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.075 11.422 2.771 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -1.390 13.003 -0.372 1.00 0.00 H new ATOM 0 HH TYR A 99 -0.631 14.238 1.329 1.00 0.00 H new ATOM 379 N ILE A 100 -0.131 7.365 2.056 1.00 0.00 N ATOM 380 CA ILE A 100 0.013 7.346 3.522 1.00 0.00 C ATOM 381 C ILE A 100 1.498 7.391 3.917 1.00 0.00 C ATOM 382 O ILE A 100 2.085 8.449 4.011 1.00 0.00 O ATOM 383 CB ILE A 100 -0.653 6.075 4.076 1.00 0.00 C ATOM 384 CG1 ILE A 100 -0.999 5.072 2.949 1.00 0.00 C ATOM 385 CG2 ILE A 100 -1.933 6.459 4.793 1.00 0.00 C ATOM 386 CD1 ILE A 100 -0.281 3.764 3.214 1.00 0.00 C ATOM 0 H ILE A 100 0.706 7.123 1.526 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.474 8.224 3.945 1.00 0.00 H new ATOM 0 HB ILE A 100 0.050 5.597 4.758 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -2.076 4.909 2.908 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.701 5.476 1.981 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -2.411 5.563 5.189 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -1.701 7.139 5.613 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.608 6.952 4.093 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -0.519 3.052 2.424 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.795 3.937 3.234 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -0.601 3.361 4.175 1.00 0.00 H new ATOM 398 N SER A 101 2.105 6.252 4.158 1.00 0.00 N ATOM 399 CA SER A 101 3.540 6.233 4.559 1.00 0.00 C ATOM 400 C SER A 101 3.958 4.794 4.880 1.00 0.00 C ATOM 401 O SER A 101 3.208 3.860 4.683 1.00 0.00 O ATOM 402 CB SER A 101 3.718 7.084 5.813 1.00 0.00 C ATOM 403 OG SER A 101 5.097 7.386 5.986 1.00 0.00 O ATOM 0 H SER A 101 1.663 5.335 4.093 1.00 0.00 H new ATOM 0 HA SER A 101 4.151 6.626 3.747 1.00 0.00 H new ATOM 0 HB2 SER A 101 3.141 8.005 5.726 1.00 0.00 H new ATOM 0 HB3 SER A 101 3.339 6.551 6.685 1.00 0.00 H new ATOM 0 HG SER A 101 5.588 7.149 5.172 1.00 0.00 H new ATOM 409 N ALA A 102 5.147 4.609 5.386 1.00 0.00 N ATOM 410 CA ALA A 102 5.606 3.234 5.730 1.00 0.00 C ATOM 411 C ALA A 102 4.924 2.779 7.020 1.00 0.00 C ATOM 412 O ALA A 102 4.561 1.631 7.169 1.00 0.00 O ATOM 413 CB ALA A 102 7.123 3.233 5.925 1.00 0.00 C ATOM 0 H ALA A 102 5.820 5.351 5.576 1.00 0.00 H new ATOM 0 HA ALA A 102 5.346 2.551 4.921 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.457 2.226 6.177 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.608 3.557 5.004 1.00 0.00 H new ATOM 0 HB3 ALA A 102 7.386 3.915 6.733 1.00 0.00 H new ATOM 419 N ALA A 103 4.742 3.671 7.955 1.00 0.00 N ATOM 420 CA ALA A 103 4.075 3.282 9.228 1.00 0.00 C ATOM 421 C ALA A 103 2.627 2.889 8.933 1.00 0.00 C ATOM 422 O ALA A 103 2.078 1.994 9.545 1.00 0.00 O ATOM 423 CB ALA A 103 4.101 4.461 10.203 1.00 0.00 C ATOM 0 H ALA A 103 5.025 4.649 7.892 1.00 0.00 H new ATOM 0 HA ALA A 103 4.600 2.438 9.675 1.00 0.00 H new ATOM 0 HB1 ALA A 103 3.612 4.174 11.134 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.134 4.742 10.407 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.575 5.308 9.763 1.00 0.00 H new ATOM 429 N GLU A 104 2.008 3.547 7.991 1.00 0.00 N ATOM 430 CA GLU A 104 0.599 3.208 7.648 1.00 0.00 C ATOM 431 C GLU A 104 0.566 1.822 6.999 1.00 0.00 C ATOM 432 O GLU A 104 -0.281 1.004 7.298 1.00 0.00 O ATOM 433 CB GLU A 104 0.048 4.255 6.673 1.00 0.00 C ATOM 434 CG GLU A 104 -0.162 5.577 7.416 1.00 0.00 C ATOM 435 CD GLU A 104 1.126 6.400 7.376 1.00 0.00 C ATOM 436 OE1 GLU A 104 1.975 6.176 8.223 1.00 0.00 O ATOM 437 OE2 GLU A 104 1.241 7.240 6.499 1.00 0.00 O ATOM 0 H GLU A 104 2.418 4.305 7.444 1.00 0.00 H new ATOM 0 HA GLU A 104 -0.015 3.202 8.549 1.00 0.00 H new ATOM 0 HB2 GLU A 104 0.741 4.397 5.844 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -0.894 3.911 6.246 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -0.977 6.137 6.958 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -0.449 5.383 8.449 1.00 0.00 H new ATOM 444 N LEU A 105 1.485 1.553 6.110 1.00 0.00 N ATOM 445 CA LEU A 105 1.519 0.224 5.440 1.00 0.00 C ATOM 446 C LEU A 105 1.674 -0.878 6.488 1.00 0.00 C ATOM 447 O LEU A 105 0.927 -1.831 6.516 1.00 0.00 O ATOM 448 CB LEU A 105 2.706 0.180 4.479 1.00 0.00 C ATOM 449 CG LEU A 105 2.269 -0.472 3.173 1.00 0.00 C ATOM 450 CD1 LEU A 105 2.722 0.390 1.993 1.00 0.00 C ATOM 451 CD2 LEU A 105 2.898 -1.864 3.068 1.00 0.00 C ATOM 0 H LEU A 105 2.217 2.201 5.819 1.00 0.00 H new ATOM 0 HA LEU A 105 0.591 0.069 4.890 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.074 1.188 4.291 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.528 -0.382 4.923 1.00 0.00 H new ATOM 0 HG LEU A 105 1.183 -0.562 3.154 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.409 -0.078 1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.272 1.380 2.072 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.808 0.483 2.006 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.588 -2.334 2.135 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.984 -1.775 3.086 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.570 -2.476 3.909 1.00 0.00 H new ATOM 463 N ARG A 106 2.641 -0.757 7.352 1.00 0.00 N ATOM 464 CA ARG A 106 2.844 -1.801 8.398 1.00 0.00 C ATOM 465 C ARG A 106 1.533 -2.044 9.157 1.00 0.00 C ATOM 466 O ARG A 106 1.379 -3.035 9.843 1.00 0.00 O ATOM 467 CB ARG A 106 3.922 -1.323 9.379 1.00 0.00 C ATOM 468 CG ARG A 106 3.863 -2.147 10.670 1.00 0.00 C ATOM 469 CD ARG A 106 2.923 -1.468 11.674 1.00 0.00 C ATOM 470 NE ARG A 106 3.212 -1.980 13.044 1.00 0.00 N ATOM 471 CZ ARG A 106 2.477 -1.600 14.054 1.00 0.00 C ATOM 472 NH1 ARG A 106 1.315 -1.042 13.845 1.00 0.00 N ATOM 473 NH2 ARG A 106 2.903 -1.781 15.273 1.00 0.00 N ATOM 0 H ARG A 106 3.301 0.020 7.381 1.00 0.00 H new ATOM 0 HA ARG A 106 3.158 -2.732 7.926 1.00 0.00 H new ATOM 0 HB2 ARG A 106 4.907 -1.418 8.923 1.00 0.00 H new ATOM 0 HB3 ARG A 106 3.776 -0.267 9.606 1.00 0.00 H new ATOM 0 HG2 ARG A 106 3.512 -3.156 10.453 1.00 0.00 H new ATOM 0 HG3 ARG A 106 4.861 -2.242 11.098 1.00 0.00 H new ATOM 0 HD2 ARG A 106 3.057 -0.387 11.642 1.00 0.00 H new ATOM 0 HD3 ARG A 106 1.885 -1.668 11.410 1.00 0.00 H new ATOM 0 HE ARG A 106 3.985 -2.628 13.193 1.00 0.00 H new ATOM 0 HH11 ARG A 106 0.980 -0.902 12.892 1.00 0.00 H new ATOM 0 HH12 ARG A 106 0.742 -0.746 14.635 1.00 0.00 H new ATOM 0 HH21 ARG A 106 3.810 -2.219 15.437 1.00 0.00 H new ATOM 0 HH22 ARG A 106 2.330 -1.485 16.063 1.00 0.00 H new ATOM 487 N HIS A 107 0.602 -1.137 9.066 1.00 0.00 N ATOM 488 CA HIS A 107 -0.681 -1.306 9.812 1.00 0.00 C ATOM 489 C HIS A 107 -1.725 -2.054 8.973 1.00 0.00 C ATOM 490 O HIS A 107 -2.588 -2.710 9.512 1.00 0.00 O ATOM 491 CB HIS A 107 -1.232 0.073 10.179 1.00 0.00 C ATOM 492 CG HIS A 107 -2.543 -0.082 10.903 1.00 0.00 C ATOM 493 ND1 HIS A 107 -2.737 0.392 12.191 1.00 0.00 N ATOM 494 CD2 HIS A 107 -3.737 -0.653 10.531 1.00 0.00 C ATOM 495 CE1 HIS A 107 -4.003 0.103 12.545 1.00 0.00 C ATOM 496 NE2 HIS A 107 -4.656 -0.534 11.569 1.00 0.00 N ATOM 0 H HIS A 107 0.671 -0.286 8.509 1.00 0.00 H new ATOM 0 HA HIS A 107 -0.479 -1.892 10.709 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -0.518 0.605 10.808 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -1.371 0.671 9.279 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -3.932 -1.122 9.578 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -4.438 0.355 13.501 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -5.621 -0.863 11.582 1.00 0.00 H new ATOM 504 N VAL A 108 -1.685 -1.951 7.670 1.00 0.00 N ATOM 505 CA VAL A 108 -2.721 -2.651 6.847 1.00 0.00 C ATOM 506 C VAL A 108 -2.151 -3.894 6.169 1.00 0.00 C ATOM 507 O VAL A 108 -2.778 -4.924 6.158 1.00 0.00 O ATOM 508 CB VAL A 108 -3.254 -1.699 5.783 1.00 0.00 C ATOM 509 CG1 VAL A 108 -4.503 -2.301 5.139 1.00 0.00 C ATOM 510 CG2 VAL A 108 -3.614 -0.365 6.432 1.00 0.00 C ATOM 0 H VAL A 108 -0.991 -1.420 7.144 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.525 -2.963 7.513 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.491 -1.542 5.021 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -4.884 -1.620 4.378 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -4.250 -3.256 4.678 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -5.266 -2.457 5.901 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.996 0.318 5.673 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -4.378 -0.525 7.193 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.726 0.066 6.894 1.00 0.00 H new ATOM 520 N MET A 109 -0.990 -3.819 5.587 1.00 0.00 N ATOM 521 CA MET A 109 -0.436 -5.027 4.913 1.00 0.00 C ATOM 522 C MET A 109 -0.027 -6.076 5.958 1.00 0.00 C ATOM 523 O MET A 109 0.425 -7.151 5.619 1.00 0.00 O ATOM 524 CB MET A 109 0.784 -4.633 4.079 1.00 0.00 C ATOM 525 CG MET A 109 0.687 -5.282 2.696 1.00 0.00 C ATOM 526 SD MET A 109 2.118 -6.354 2.433 1.00 0.00 S ATOM 527 CE MET A 109 3.377 -5.175 2.976 1.00 0.00 C ATOM 0 H MET A 109 -0.404 -2.985 5.547 1.00 0.00 H new ATOM 0 HA MET A 109 -1.201 -5.453 4.264 1.00 0.00 H new ATOM 0 HB2 MET A 109 0.836 -3.549 3.981 1.00 0.00 H new ATOM 0 HB3 MET A 109 1.698 -4.952 4.579 1.00 0.00 H new ATOM 0 HG2 MET A 109 -0.234 -5.860 2.618 1.00 0.00 H new ATOM 0 HG3 MET A 109 0.648 -4.514 1.924 1.00 0.00 H new ATOM 0 HE1 MET A 109 4.326 -5.409 2.494 1.00 0.00 H new ATOM 0 HE2 MET A 109 3.071 -4.165 2.704 1.00 0.00 H new ATOM 0 HE3 MET A 109 3.493 -5.239 4.058 1.00 0.00 H new ATOM 537 N THR A 110 -0.183 -5.778 7.222 1.00 0.00 N ATOM 538 CA THR A 110 0.202 -6.767 8.277 1.00 0.00 C ATOM 539 C THR A 110 -1.041 -7.523 8.760 1.00 0.00 C ATOM 540 O THR A 110 -0.948 -8.570 9.370 1.00 0.00 O ATOM 541 CB THR A 110 0.851 -6.037 9.453 1.00 0.00 C ATOM 542 OG1 THR A 110 1.430 -6.986 10.338 1.00 0.00 O ATOM 543 CG2 THR A 110 -0.205 -5.223 10.195 1.00 0.00 C ATOM 0 H THR A 110 -0.559 -4.896 7.570 1.00 0.00 H new ATOM 0 HA THR A 110 0.913 -7.479 7.858 1.00 0.00 H new ATOM 0 HB THR A 110 1.627 -5.368 9.081 1.00 0.00 H new ATOM 0 HG1 THR A 110 1.848 -6.519 11.091 1.00 0.00 H new ATOM 0 HG21 THR A 110 0.259 -4.703 11.033 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.646 -4.494 9.515 1.00 0.00 H new ATOM 0 HG23 THR A 110 -0.983 -5.890 10.567 1.00 0.00 H new ATOM 551 N ASN A 111 -2.202 -7.006 8.477 1.00 0.00 N ATOM 552 CA ASN A 111 -3.462 -7.694 8.896 1.00 0.00 C ATOM 553 C ASN A 111 -4.225 -8.097 7.633 1.00 0.00 C ATOM 554 O ASN A 111 -5.073 -8.967 7.647 1.00 0.00 O ATOM 555 CB ASN A 111 -4.336 -6.758 9.748 1.00 0.00 C ATOM 556 CG ASN A 111 -3.883 -5.304 9.583 1.00 0.00 C ATOM 557 OD1 ASN A 111 -2.717 -5.000 9.727 1.00 0.00 O ATOM 558 ND2 ASN A 111 -4.768 -4.384 9.291 1.00 0.00 N ATOM 0 H ASN A 111 -2.337 -6.131 7.970 1.00 0.00 H new ATOM 0 HA ASN A 111 -3.218 -8.570 9.497 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -5.380 -6.856 9.451 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -4.274 -7.048 10.797 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -4.477 -3.412 9.185 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -5.748 -4.639 9.170 1.00 0.00 H new ATOM 565 N LEU A 112 -3.905 -7.465 6.540 1.00 0.00 N ATOM 566 CA LEU A 112 -4.564 -7.774 5.245 1.00 0.00 C ATOM 567 C LEU A 112 -4.311 -9.240 4.894 1.00 0.00 C ATOM 568 O LEU A 112 -3.720 -9.975 5.661 1.00 0.00 O ATOM 569 CB LEU A 112 -3.942 -6.878 4.164 1.00 0.00 C ATOM 570 CG LEU A 112 -4.894 -5.735 3.790 1.00 0.00 C ATOM 571 CD1 LEU A 112 -5.900 -6.244 2.758 1.00 0.00 C ATOM 572 CD2 LEU A 112 -5.647 -5.238 5.032 1.00 0.00 C ATOM 0 H LEU A 112 -3.198 -6.731 6.491 1.00 0.00 H new ATOM 0 HA LEU A 112 -5.637 -7.597 5.310 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -2.998 -6.468 4.524 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -3.715 -7.472 3.279 1.00 0.00 H new ATOM 0 HG LEU A 112 -4.316 -4.909 3.376 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.581 -5.438 2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -5.369 -6.586 1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -6.468 -7.072 3.182 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.318 -4.427 4.750 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.226 -6.057 5.458 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -4.932 -4.877 5.771 1.00 0.00 H new ATOM 584 N GLY A 113 -4.737 -9.671 3.740 1.00 0.00 N ATOM 585 CA GLY A 113 -4.495 -11.088 3.353 1.00 0.00 C ATOM 586 C GLY A 113 -2.991 -11.356 3.396 1.00 0.00 C ATOM 587 O GLY A 113 -2.548 -12.487 3.446 1.00 0.00 O ATOM 0 H GLY A 113 -5.239 -9.108 3.053 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -5.018 -11.760 4.033 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -4.885 -11.279 2.353 1.00 0.00 H new ATOM 591 N GLU A 114 -2.202 -10.313 3.375 1.00 0.00 N ATOM 592 CA GLU A 114 -0.723 -10.486 3.414 1.00 0.00 C ATOM 593 C GLU A 114 -0.292 -10.953 4.806 1.00 0.00 C ATOM 594 O GLU A 114 0.164 -12.066 4.982 1.00 0.00 O ATOM 595 CB GLU A 114 -0.050 -9.148 3.094 1.00 0.00 C ATOM 596 CG GLU A 114 -0.100 -8.901 1.585 1.00 0.00 C ATOM 597 CD GLU A 114 1.238 -9.301 0.962 1.00 0.00 C ATOM 598 OE1 GLU A 114 1.991 -9.996 1.623 1.00 0.00 O ATOM 599 OE2 GLU A 114 1.486 -8.906 -0.164 1.00 0.00 O ATOM 0 H GLU A 114 -2.522 -9.345 3.332 1.00 0.00 H new ATOM 0 HA GLU A 114 -0.426 -11.233 2.678 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -0.554 -8.339 3.623 1.00 0.00 H new ATOM 0 HB3 GLU A 114 0.984 -9.157 3.438 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -0.909 -9.478 1.137 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -0.308 -7.850 1.384 1.00 0.00 H new ATOM 606 N LYS A 115 -0.426 -10.113 5.798 1.00 0.00 N ATOM 607 CA LYS A 115 -0.018 -10.518 7.172 1.00 0.00 C ATOM 608 C LYS A 115 1.430 -11.018 7.148 1.00 0.00 C ATOM 609 O LYS A 115 1.688 -12.186 6.935 1.00 0.00 O ATOM 610 CB LYS A 115 -0.935 -11.637 7.669 1.00 0.00 C ATOM 611 CG LYS A 115 -1.948 -11.067 8.663 1.00 0.00 C ATOM 612 CD LYS A 115 -2.943 -12.161 9.058 1.00 0.00 C ATOM 613 CE LYS A 115 -3.636 -11.779 10.369 1.00 0.00 C ATOM 614 NZ LYS A 115 -4.282 -12.985 10.960 1.00 0.00 N ATOM 0 H LYS A 115 -0.799 -9.167 5.715 1.00 0.00 H new ATOM 0 HA LYS A 115 -0.096 -9.661 7.841 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -1.454 -12.096 6.828 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -0.345 -12.420 8.145 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -1.434 -10.691 9.548 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -2.476 -10.223 8.218 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -3.684 -12.295 8.269 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -2.425 -13.113 9.173 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -2.911 -11.363 11.068 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -4.383 -11.006 10.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -4.753 -12.726 11.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -4.985 -13.364 10.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -3.559 -13.709 11.149 1.00 0.00 H new ATOM 628 N LEU A 116 2.378 -10.146 7.369 1.00 0.00 N ATOM 629 CA LEU A 116 3.800 -10.576 7.362 1.00 0.00 C ATOM 630 C LEU A 116 4.476 -10.073 8.645 1.00 0.00 C ATOM 631 O LEU A 116 4.030 -10.355 9.739 1.00 0.00 O ATOM 632 CB LEU A 116 4.496 -9.995 6.124 1.00 0.00 C ATOM 633 CG LEU A 116 4.295 -8.476 6.081 1.00 0.00 C ATOM 634 CD1 LEU A 116 5.361 -7.842 5.185 1.00 0.00 C ATOM 635 CD2 LEU A 116 2.911 -8.164 5.516 1.00 0.00 C ATOM 0 H LEU A 116 2.225 -9.155 7.554 1.00 0.00 H new ATOM 0 HA LEU A 116 3.869 -11.663 7.325 1.00 0.00 H new ATOM 0 HB2 LEU A 116 5.560 -10.230 6.150 1.00 0.00 H new ATOM 0 HB3 LEU A 116 4.091 -10.450 5.220 1.00 0.00 H new ATOM 0 HG LEU A 116 4.380 -8.071 7.089 1.00 0.00 H new ATOM 0 HD11 LEU A 116 5.216 -6.762 5.156 1.00 0.00 H new ATOM 0 HD12 LEU A 116 6.351 -8.065 5.584 1.00 0.00 H new ATOM 0 HD13 LEU A 116 5.276 -8.247 4.177 1.00 0.00 H new ATOM 0 HD21 LEU A 116 2.766 -7.084 5.485 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.829 -8.571 4.508 1.00 0.00 H new ATOM 0 HD23 LEU A 116 2.149 -8.614 6.152 1.00 0.00 H new ATOM 647 N THR A 117 5.537 -9.323 8.526 1.00 0.00 N ATOM 648 CA THR A 117 6.223 -8.800 9.737 1.00 0.00 C ATOM 649 C THR A 117 6.281 -7.276 9.648 1.00 0.00 C ATOM 650 O THR A 117 5.970 -6.695 8.626 1.00 0.00 O ATOM 651 CB THR A 117 7.645 -9.362 9.804 1.00 0.00 C ATOM 652 OG1 THR A 117 7.679 -10.639 9.180 1.00 0.00 O ATOM 653 CG2 THR A 117 8.077 -9.494 11.267 1.00 0.00 C ATOM 0 H THR A 117 5.958 -9.050 7.638 1.00 0.00 H new ATOM 0 HA THR A 117 5.677 -9.101 10.631 1.00 0.00 H new ATOM 0 HB THR A 117 8.327 -8.687 9.287 1.00 0.00 H new ATOM 0 HG1 THR A 117 8.542 -11.067 9.359 1.00 0.00 H new ATOM 0 HG21 THR A 117 9.090 -9.894 11.313 1.00 0.00 H new ATOM 0 HG22 THR A 117 8.052 -8.514 11.743 1.00 0.00 H new ATOM 0 HG23 THR A 117 7.397 -10.168 11.788 1.00 0.00 H new ATOM 661 N ASP A 118 6.675 -6.620 10.701 1.00 0.00 N ATOM 662 CA ASP A 118 6.745 -5.134 10.659 1.00 0.00 C ATOM 663 C ASP A 118 8.006 -4.706 9.911 1.00 0.00 C ATOM 664 O ASP A 118 8.042 -3.667 9.285 1.00 0.00 O ATOM 665 CB ASP A 118 6.782 -4.587 12.087 1.00 0.00 C ATOM 666 CG ASP A 118 6.832 -3.060 12.047 1.00 0.00 C ATOM 667 OD1 ASP A 118 7.611 -2.532 11.271 1.00 0.00 O ATOM 668 OD2 ASP A 118 6.087 -2.444 12.791 1.00 0.00 O ATOM 0 H ASP A 118 6.951 -7.046 11.586 1.00 0.00 H new ATOM 0 HA ASP A 118 5.869 -4.740 10.144 1.00 0.00 H new ATOM 0 HB2 ASP A 118 5.902 -4.918 12.638 1.00 0.00 H new ATOM 0 HB3 ASP A 118 7.653 -4.976 12.614 1.00 0.00 H new ATOM 673 N GLU A 119 9.041 -5.497 9.968 1.00 0.00 N ATOM 674 CA GLU A 119 10.294 -5.128 9.255 1.00 0.00 C ATOM 675 C GLU A 119 10.168 -5.494 7.775 1.00 0.00 C ATOM 676 O GLU A 119 10.830 -4.929 6.928 1.00 0.00 O ATOM 677 CB GLU A 119 11.476 -5.880 9.873 1.00 0.00 C ATOM 678 CG GLU A 119 11.676 -5.417 11.317 1.00 0.00 C ATOM 679 CD GLU A 119 11.109 -6.469 12.273 1.00 0.00 C ATOM 680 OE1 GLU A 119 9.918 -6.425 12.534 1.00 0.00 O ATOM 681 OE2 GLU A 119 11.876 -7.303 12.725 1.00 0.00 O ATOM 0 H GLU A 119 9.073 -6.381 10.476 1.00 0.00 H new ATOM 0 HA GLU A 119 10.461 -4.055 9.348 1.00 0.00 H new ATOM 0 HB2 GLU A 119 11.292 -6.954 9.846 1.00 0.00 H new ATOM 0 HB3 GLU A 119 12.380 -5.697 9.293 1.00 0.00 H new ATOM 0 HG2 GLU A 119 12.736 -5.262 11.517 1.00 0.00 H new ATOM 0 HG3 GLU A 119 11.179 -4.460 11.476 1.00 0.00 H new ATOM 688 N GLU A 120 9.320 -6.432 7.456 1.00 0.00 N ATOM 689 CA GLU A 120 9.150 -6.826 6.030 1.00 0.00 C ATOM 690 C GLU A 120 8.159 -5.872 5.360 1.00 0.00 C ATOM 691 O GLU A 120 8.199 -5.664 4.165 1.00 0.00 O ATOM 692 CB GLU A 120 8.618 -8.259 5.958 1.00 0.00 C ATOM 693 CG GLU A 120 9.484 -9.166 6.835 1.00 0.00 C ATOM 694 CD GLU A 120 10.362 -10.047 5.946 1.00 0.00 C ATOM 695 OE1 GLU A 120 11.402 -9.574 5.520 1.00 0.00 O ATOM 696 OE2 GLU A 120 9.980 -11.181 5.707 1.00 0.00 O ATOM 0 H GLU A 120 8.738 -6.942 8.120 1.00 0.00 H new ATOM 0 HA GLU A 120 10.109 -6.773 5.515 1.00 0.00 H new ATOM 0 HB2 GLU A 120 7.582 -8.291 6.294 1.00 0.00 H new ATOM 0 HB3 GLU A 120 8.630 -8.612 4.927 1.00 0.00 H new ATOM 0 HG2 GLU A 120 10.107 -8.564 7.496 1.00 0.00 H new ATOM 0 HG3 GLU A 120 8.852 -9.787 7.470 1.00 0.00 H new ATOM 703 N VAL A 121 7.273 -5.286 6.123 1.00 0.00 N ATOM 704 CA VAL A 121 6.284 -4.340 5.526 1.00 0.00 C ATOM 705 C VAL A 121 6.871 -2.928 5.492 1.00 0.00 C ATOM 706 O VAL A 121 6.728 -2.214 4.521 1.00 0.00 O ATOM 707 CB VAL A 121 4.990 -4.333 6.351 1.00 0.00 C ATOM 708 CG1 VAL A 121 5.291 -4.086 7.831 1.00 0.00 C ATOM 709 CG2 VAL A 121 4.070 -3.229 5.829 1.00 0.00 C ATOM 0 H VAL A 121 7.192 -5.421 7.131 1.00 0.00 H new ATOM 0 HA VAL A 121 6.059 -4.666 4.511 1.00 0.00 H new ATOM 0 HB VAL A 121 4.506 -5.305 6.254 1.00 0.00 H new ATOM 0 HG11 VAL A 121 4.359 -4.085 8.397 1.00 0.00 H new ATOM 0 HG12 VAL A 121 5.943 -4.875 8.206 1.00 0.00 H new ATOM 0 HG13 VAL A 121 5.786 -3.122 7.946 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.148 -3.218 6.411 1.00 0.00 H new ATOM 0 HG22 VAL A 121 4.569 -2.265 5.922 1.00 0.00 H new ATOM 0 HG23 VAL A 121 3.835 -3.416 4.781 1.00 0.00 H new ATOM 719 N ASP A 122 7.524 -2.517 6.541 1.00 0.00 N ATOM 720 CA ASP A 122 8.108 -1.146 6.555 1.00 0.00 C ATOM 721 C ASP A 122 9.388 -1.119 5.716 1.00 0.00 C ATOM 722 O ASP A 122 9.719 -0.123 5.102 1.00 0.00 O ATOM 723 CB ASP A 122 8.413 -0.727 8.002 1.00 0.00 C ATOM 724 CG ASP A 122 9.741 -1.337 8.472 1.00 0.00 C ATOM 725 OD1 ASP A 122 10.756 -1.056 7.857 1.00 0.00 O ATOM 726 OD2 ASP A 122 9.720 -2.067 9.450 1.00 0.00 O ATOM 0 H ASP A 122 7.679 -3.067 7.386 1.00 0.00 H new ATOM 0 HA ASP A 122 7.392 -0.444 6.127 1.00 0.00 H new ATOM 0 HB2 ASP A 122 8.462 0.360 8.069 1.00 0.00 H new ATOM 0 HB3 ASP A 122 7.605 -1.051 8.658 1.00 0.00 H new ATOM 731 N GLU A 123 10.111 -2.205 5.681 1.00 0.00 N ATOM 732 CA GLU A 123 11.367 -2.236 4.881 1.00 0.00 C ATOM 733 C GLU A 123 11.020 -2.347 3.395 1.00 0.00 C ATOM 734 O GLU A 123 11.741 -1.868 2.542 1.00 0.00 O ATOM 735 CB GLU A 123 12.212 -3.440 5.304 1.00 0.00 C ATOM 736 CG GLU A 123 13.588 -3.356 4.641 1.00 0.00 C ATOM 737 CD GLU A 123 14.619 -2.871 5.661 1.00 0.00 C ATOM 738 OE1 GLU A 123 14.231 -2.156 6.570 1.00 0.00 O ATOM 739 OE2 GLU A 123 15.778 -3.222 5.515 1.00 0.00 O ATOM 0 H GLU A 123 9.886 -3.071 6.171 1.00 0.00 H new ATOM 0 HA GLU A 123 11.933 -1.320 5.053 1.00 0.00 H new ATOM 0 HB2 GLU A 123 12.320 -3.459 6.388 1.00 0.00 H new ATOM 0 HB3 GLU A 123 11.714 -4.366 5.017 1.00 0.00 H new ATOM 0 HG2 GLU A 123 13.877 -4.333 4.253 1.00 0.00 H new ATOM 0 HG3 GLU A 123 13.553 -2.674 3.792 1.00 0.00 H new ATOM 746 N MET A 124 9.920 -2.976 3.077 1.00 0.00 N ATOM 747 CA MET A 124 9.530 -3.115 1.645 1.00 0.00 C ATOM 748 C MET A 124 9.034 -1.770 1.116 1.00 0.00 C ATOM 749 O MET A 124 8.942 -1.561 -0.077 1.00 0.00 O ATOM 750 CB MET A 124 8.414 -4.150 1.508 1.00 0.00 C ATOM 751 CG MET A 124 8.941 -5.375 0.756 1.00 0.00 C ATOM 752 SD MET A 124 9.378 -4.898 -0.934 1.00 0.00 S ATOM 753 CE MET A 124 10.969 -5.759 -1.009 1.00 0.00 C ATOM 0 H MET A 124 9.276 -3.399 3.746 1.00 0.00 H new ATOM 0 HA MET A 124 10.398 -3.439 1.071 1.00 0.00 H new ATOM 0 HB2 MET A 124 8.053 -4.443 2.494 1.00 0.00 H new ATOM 0 HB3 MET A 124 7.568 -3.719 0.974 1.00 0.00 H new ATOM 0 HG2 MET A 124 9.813 -5.783 1.268 1.00 0.00 H new ATOM 0 HG3 MET A 124 8.184 -6.160 0.740 1.00 0.00 H new ATOM 0 HE1 MET A 124 11.408 -5.627 -1.998 1.00 0.00 H new ATOM 0 HE2 MET A 124 11.641 -5.348 -0.256 1.00 0.00 H new ATOM 0 HE3 MET A 124 10.817 -6.821 -0.819 1.00 0.00 H new ATOM 763 N ILE A 125 8.709 -0.854 1.988 1.00 0.00 N ATOM 764 CA ILE A 125 8.220 0.469 1.515 1.00 0.00 C ATOM 765 C ILE A 125 9.354 1.176 0.765 1.00 0.00 C ATOM 766 O ILE A 125 9.126 1.868 -0.205 1.00 0.00 O ATOM 767 CB ILE A 125 7.733 1.299 2.722 1.00 0.00 C ATOM 768 CG1 ILE A 125 6.210 1.408 2.655 1.00 0.00 C ATOM 769 CG2 ILE A 125 8.337 2.711 2.717 1.00 0.00 C ATOM 770 CD1 ILE A 125 5.583 0.330 3.537 1.00 0.00 C ATOM 0 H ILE A 125 8.761 -0.965 3.001 1.00 0.00 H new ATOM 0 HA ILE A 125 7.379 0.346 0.833 1.00 0.00 H new ATOM 0 HB ILE A 125 8.051 0.799 3.637 1.00 0.00 H new ATOM 0 HG12 ILE A 125 5.890 2.396 2.987 1.00 0.00 H new ATOM 0 HG13 ILE A 125 5.871 1.293 1.625 1.00 0.00 H new ATOM 0 HG21 ILE A 125 7.972 3.266 3.581 1.00 0.00 H new ATOM 0 HG22 ILE A 125 9.424 2.642 2.763 1.00 0.00 H new ATOM 0 HG23 ILE A 125 8.045 3.229 1.803 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.497 0.407 3.490 1.00 0.00 H new ATOM 0 HD12 ILE A 125 5.892 -0.654 3.185 1.00 0.00 H new ATOM 0 HD13 ILE A 125 5.912 0.466 4.567 1.00 0.00 H new ATOM 782 N ARG A 126 10.572 0.997 1.191 1.00 0.00 N ATOM 783 CA ARG A 126 11.696 1.650 0.471 1.00 0.00 C ATOM 784 C ARG A 126 11.511 1.396 -1.024 1.00 0.00 C ATOM 785 O ARG A 126 11.978 2.142 -1.862 1.00 0.00 O ATOM 786 CB ARG A 126 13.022 1.048 0.939 1.00 0.00 C ATOM 787 CG ARG A 126 13.054 1.003 2.469 1.00 0.00 C ATOM 788 CD ARG A 126 14.461 1.350 2.961 1.00 0.00 C ATOM 789 NE ARG A 126 15.430 0.343 2.445 1.00 0.00 N ATOM 790 CZ ARG A 126 16.699 0.453 2.729 1.00 0.00 C ATOM 791 NH1 ARG A 126 17.072 1.027 3.841 1.00 0.00 N ATOM 792 NH2 ARG A 126 17.597 -0.010 1.902 1.00 0.00 N ATOM 0 H ARG A 126 10.835 0.432 1.999 1.00 0.00 H new ATOM 0 HA ARG A 126 11.707 2.721 0.673 1.00 0.00 H new ATOM 0 HB2 ARG A 126 13.140 0.043 0.533 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.855 1.643 0.565 1.00 0.00 H new ATOM 0 HG2 ARG A 126 12.330 1.707 2.879 1.00 0.00 H new ATOM 0 HG3 ARG A 126 12.769 0.011 2.820 1.00 0.00 H new ATOM 0 HD2 ARG A 126 14.741 2.347 2.621 1.00 0.00 H new ATOM 0 HD3 ARG A 126 14.483 1.367 4.051 1.00 0.00 H new ATOM 0 HE ARG A 126 15.102 -0.433 1.870 1.00 0.00 H new ATOM 0 HH11 ARG A 126 16.371 1.389 4.488 1.00 0.00 H new ATOM 0 HH12 ARG A 126 18.064 1.113 4.063 1.00 0.00 H new ATOM 0 HH21 ARG A 126 17.307 -0.458 1.033 1.00 0.00 H new ATOM 0 HH22 ARG A 126 18.589 0.077 2.125 1.00 0.00 H new ATOM 806 N GLU A 127 10.823 0.336 -1.356 1.00 0.00 N ATOM 807 CA GLU A 127 10.582 0.002 -2.783 1.00 0.00 C ATOM 808 C GLU A 127 9.422 0.842 -3.330 1.00 0.00 C ATOM 809 O GLU A 127 9.473 1.331 -4.441 1.00 0.00 O ATOM 810 CB GLU A 127 10.223 -1.479 -2.893 1.00 0.00 C ATOM 811 CG GLU A 127 11.489 -2.325 -2.745 1.00 0.00 C ATOM 812 CD GLU A 127 12.265 -2.317 -4.064 1.00 0.00 C ATOM 813 OE1 GLU A 127 11.857 -3.021 -4.973 1.00 0.00 O ATOM 814 OE2 GLU A 127 13.254 -1.607 -4.141 1.00 0.00 O ATOM 0 H GLU A 127 10.414 -0.318 -0.688 1.00 0.00 H new ATOM 0 HA GLU A 127 11.482 0.215 -3.360 1.00 0.00 H new ATOM 0 HB2 GLU A 127 9.502 -1.747 -2.121 1.00 0.00 H new ATOM 0 HB3 GLU A 127 9.750 -1.679 -3.855 1.00 0.00 H new ATOM 0 HG2 GLU A 127 12.111 -1.930 -1.942 1.00 0.00 H new ATOM 0 HG3 GLU A 127 11.226 -3.347 -2.471 1.00 0.00 H new ATOM 821 N ALA A 128 8.368 1.007 -2.569 1.00 0.00 N ATOM 822 CA ALA A 128 7.217 1.803 -3.072 1.00 0.00 C ATOM 823 C ALA A 128 7.365 3.264 -2.628 1.00 0.00 C ATOM 824 O ALA A 128 7.434 4.163 -3.443 1.00 0.00 O ATOM 825 CB ALA A 128 5.915 1.216 -2.517 1.00 0.00 C ATOM 0 H ALA A 128 8.259 0.626 -1.629 1.00 0.00 H new ATOM 0 HA ALA A 128 7.194 1.766 -4.161 1.00 0.00 H new ATOM 0 HB1 ALA A 128 5.069 1.797 -2.884 1.00 0.00 H new ATOM 0 HB2 ALA A 128 5.814 0.181 -2.844 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.935 1.252 -1.428 1.00 0.00 H new ATOM 831 N ASP A 129 7.407 3.512 -1.347 1.00 0.00 N ATOM 832 CA ASP A 129 7.541 4.917 -0.865 1.00 0.00 C ATOM 833 C ASP A 129 9.016 5.322 -0.886 1.00 0.00 C ATOM 834 O ASP A 129 9.898 4.496 -0.758 1.00 0.00 O ATOM 835 CB ASP A 129 7.009 5.044 0.570 1.00 0.00 C ATOM 836 CG ASP A 129 5.806 4.119 0.783 1.00 0.00 C ATOM 837 OD1 ASP A 129 5.388 3.482 -0.168 1.00 0.00 O ATOM 838 OD2 ASP A 129 5.321 4.067 1.901 1.00 0.00 O ATOM 0 H ASP A 129 7.354 2.804 -0.614 1.00 0.00 H new ATOM 0 HA ASP A 129 6.962 5.569 -1.520 1.00 0.00 H new ATOM 0 HB2 ASP A 129 7.798 4.793 1.279 1.00 0.00 H new ATOM 0 HB3 ASP A 129 6.720 6.076 0.766 1.00 0.00 H new ATOM 893 N GLY A 134 3.366 11.417 -1.841 1.00 0.00 N ATOM 894 CA GLY A 134 2.457 10.814 -0.826 1.00 0.00 C ATOM 895 C GLY A 134 3.104 9.549 -0.261 1.00 0.00 C ATOM 896 O GLY A 134 2.442 8.689 0.280 1.00 0.00 O ATOM 0 HA2 GLY A 134 2.263 11.527 -0.025 1.00 0.00 H new ATOM 0 HA3 GLY A 134 1.495 10.574 -1.279 1.00 0.00 H new ATOM 900 N GLN A 135 4.395 9.418 -0.385 1.00 0.00 N ATOM 901 CA GLN A 135 5.057 8.196 0.145 1.00 0.00 C ATOM 902 C GLN A 135 4.415 6.972 -0.508 1.00 0.00 C ATOM 903 O GLN A 135 4.798 6.558 -1.585 1.00 0.00 O ATOM 904 CB GLN A 135 4.864 8.134 1.662 1.00 0.00 C ATOM 905 CG GLN A 135 5.686 9.241 2.326 1.00 0.00 C ATOM 906 CD GLN A 135 5.891 8.910 3.805 1.00 0.00 C ATOM 907 OE1 GLN A 135 6.464 7.891 4.138 1.00 0.00 O ATOM 908 NE2 GLN A 135 5.443 9.734 4.712 1.00 0.00 N ATOM 0 H GLN A 135 5.015 10.098 -0.826 1.00 0.00 H new ATOM 0 HA GLN A 135 6.124 8.217 -0.079 1.00 0.00 H new ATOM 0 HB2 GLN A 135 3.809 8.251 1.910 1.00 0.00 H new ATOM 0 HB3 GLN A 135 5.174 7.160 2.039 1.00 0.00 H new ATOM 0 HG2 GLN A 135 6.650 9.340 1.828 1.00 0.00 H new ATOM 0 HG3 GLN A 135 5.175 10.198 2.225 1.00 0.00 H new ATOM 0 HE21 GLN A 135 4.962 10.589 4.432 1.00 0.00 H new ATOM 0 HE22 GLN A 135 5.573 9.523 5.701 1.00 0.00 H new ATOM 917 N VAL A 136 3.428 6.395 0.124 1.00 0.00 N ATOM 918 CA VAL A 136 2.752 5.211 -0.474 1.00 0.00 C ATOM 919 C VAL A 136 1.372 5.643 -0.960 1.00 0.00 C ATOM 920 O VAL A 136 0.492 5.891 -0.171 1.00 0.00 O ATOM 921 CB VAL A 136 2.626 4.105 0.586 1.00 0.00 C ATOM 922 CG1 VAL A 136 2.639 4.711 1.987 1.00 0.00 C ATOM 923 CG2 VAL A 136 1.337 3.305 0.385 1.00 0.00 C ATOM 0 H VAL A 136 3.062 6.693 1.028 1.00 0.00 H new ATOM 0 HA VAL A 136 3.330 4.822 -1.312 1.00 0.00 H new ATOM 0 HB VAL A 136 3.477 3.433 0.476 1.00 0.00 H new ATOM 0 HG11 VAL A 136 2.549 3.917 2.728 1.00 0.00 H new ATOM 0 HG12 VAL A 136 3.575 5.248 2.142 1.00 0.00 H new ATOM 0 HG13 VAL A 136 1.802 5.402 2.092 1.00 0.00 H new ATOM 0 HG21 VAL A 136 1.269 2.528 1.146 1.00 0.00 H new ATOM 0 HG22 VAL A 136 0.478 3.971 0.469 1.00 0.00 H new ATOM 0 HG23 VAL A 136 1.344 2.845 -0.603 1.00 0.00 H new ATOM 933 N ASN A 137 1.178 5.755 -2.245 1.00 0.00 N ATOM 934 CA ASN A 137 -0.146 6.199 -2.749 1.00 0.00 C ATOM 935 C ASN A 137 -0.908 5.063 -3.433 1.00 0.00 C ATOM 936 O ASN A 137 -0.985 5.021 -4.635 1.00 0.00 O ATOM 937 CB ASN A 137 0.056 7.353 -3.726 1.00 0.00 C ATOM 938 CG ASN A 137 0.993 6.955 -4.881 1.00 0.00 C ATOM 939 OD1 ASN A 137 1.370 7.796 -5.674 1.00 0.00 O ATOM 940 ND2 ASN A 137 1.393 5.716 -5.021 1.00 0.00 N ATOM 0 H ASN A 137 1.876 5.559 -2.962 1.00 0.00 H new ATOM 0 HA ASN A 137 -0.744 6.524 -1.898 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -0.908 7.664 -4.128 1.00 0.00 H new ATOM 0 HB3 ASN A 137 0.472 8.211 -3.197 1.00 0.00 H new ATOM 0 HD21 ASN A 137 2.015 5.465 -5.790 1.00 0.00 H new ATOM 0 HD22 ASN A 137 1.083 5.002 -4.361 1.00 0.00 H new ATOM 947 N TYR A 138 -1.488 4.174 -2.658 1.00 0.00 N ATOM 948 CA TYR A 138 -2.294 3.032 -3.219 1.00 0.00 C ATOM 949 C TYR A 138 -1.689 2.462 -4.499 1.00 0.00 C ATOM 950 O TYR A 138 -1.102 1.404 -4.490 1.00 0.00 O ATOM 951 CB TYR A 138 -3.711 3.516 -3.509 1.00 0.00 C ATOM 952 CG TYR A 138 -4.398 3.872 -2.213 1.00 0.00 C ATOM 953 CD1 TYR A 138 -4.008 3.260 -1.014 1.00 0.00 C ATOM 954 CD2 TYR A 138 -5.429 4.813 -2.212 1.00 0.00 C ATOM 955 CE1 TYR A 138 -4.648 3.589 0.180 1.00 0.00 C ATOM 956 CE2 TYR A 138 -6.071 5.144 -1.015 1.00 0.00 C ATOM 957 CZ TYR A 138 -5.681 4.531 0.183 1.00 0.00 C ATOM 958 OH TYR A 138 -6.311 4.857 1.365 1.00 0.00 O ATOM 0 H TYR A 138 -1.437 4.190 -1.639 1.00 0.00 H new ATOM 0 HA TYR A 138 -2.297 2.236 -2.475 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -3.682 4.384 -4.168 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -4.272 2.740 -4.029 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -3.210 2.532 -1.015 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -5.731 5.285 -3.135 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -4.346 3.116 1.103 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -6.868 5.873 -1.014 1.00 0.00 H new ATOM 0 HH TYR A 138 -6.095 4.187 2.047 1.00 0.00 H new ATOM 968 N GLU A 139 -1.866 3.124 -5.601 1.00 0.00 N ATOM 969 CA GLU A 139 -1.321 2.602 -6.879 1.00 0.00 C ATOM 970 C GLU A 139 0.067 1.999 -6.632 1.00 0.00 C ATOM 971 O GLU A 139 0.464 1.046 -7.273 1.00 0.00 O ATOM 972 CB GLU A 139 -1.204 3.735 -7.903 1.00 0.00 C ATOM 973 CG GLU A 139 -2.386 4.695 -7.757 1.00 0.00 C ATOM 974 CD GLU A 139 -2.654 5.384 -9.096 1.00 0.00 C ATOM 975 OE1 GLU A 139 -1.695 5.694 -9.783 1.00 0.00 O ATOM 976 OE2 GLU A 139 -3.814 5.590 -9.412 1.00 0.00 O ATOM 0 H GLU A 139 -2.367 4.009 -5.673 1.00 0.00 H new ATOM 0 HA GLU A 139 -1.994 1.837 -7.266 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -0.267 4.273 -7.757 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -1.181 3.324 -8.912 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -3.273 4.150 -7.433 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -2.171 5.439 -6.990 1.00 0.00 H new ATOM 983 N GLU A 140 0.799 2.539 -5.691 1.00 0.00 N ATOM 984 CA GLU A 140 2.150 1.986 -5.389 1.00 0.00 C ATOM 985 C GLU A 140 2.046 1.070 -4.167 1.00 0.00 C ATOM 986 O GLU A 140 2.823 0.152 -4.000 1.00 0.00 O ATOM 987 CB GLU A 140 3.134 3.126 -5.116 1.00 0.00 C ATOM 988 CG GLU A 140 2.897 3.709 -3.730 1.00 0.00 C ATOM 989 CD GLU A 140 3.813 3.039 -2.712 1.00 0.00 C ATOM 990 OE1 GLU A 140 3.469 1.968 -2.241 1.00 0.00 O ATOM 991 OE2 GLU A 140 4.845 3.615 -2.416 1.00 0.00 O ATOM 0 H GLU A 140 0.519 3.337 -5.121 1.00 0.00 H new ATOM 0 HA GLU A 140 2.515 1.415 -6.243 1.00 0.00 H new ATOM 0 HB2 GLU A 140 4.157 2.758 -5.193 1.00 0.00 H new ATOM 0 HB3 GLU A 140 3.017 3.904 -5.870 1.00 0.00 H new ATOM 0 HG2 GLU A 140 3.081 4.783 -3.743 1.00 0.00 H new ATOM 0 HG3 GLU A 140 1.856 3.567 -3.441 1.00 0.00 H new ATOM 998 N PHE A 141 1.081 1.307 -3.316 1.00 0.00 N ATOM 999 CA PHE A 141 0.907 0.435 -2.113 1.00 0.00 C ATOM 1000 C PHE A 141 0.677 -1.008 -2.574 1.00 0.00 C ATOM 1001 O PHE A 141 0.999 -1.954 -1.882 1.00 0.00 O ATOM 1002 CB PHE A 141 -0.322 0.899 -1.325 1.00 0.00 C ATOM 1003 CG PHE A 141 -0.616 -0.073 -0.204 1.00 0.00 C ATOM 1004 CD1 PHE A 141 0.419 -0.808 0.384 1.00 0.00 C ATOM 1005 CD2 PHE A 141 -1.933 -0.240 0.245 1.00 0.00 C ATOM 1006 CE1 PHE A 141 0.137 -1.708 1.418 1.00 0.00 C ATOM 1007 CE2 PHE A 141 -2.214 -1.140 1.279 1.00 0.00 C ATOM 1008 CZ PHE A 141 -1.179 -1.874 1.866 1.00 0.00 C ATOM 0 H PHE A 141 0.405 2.066 -3.401 1.00 0.00 H new ATOM 0 HA PHE A 141 1.796 0.495 -1.485 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -0.148 1.895 -0.917 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -1.183 0.972 -1.989 1.00 0.00 H new ATOM 0 HD1 PHE A 141 1.435 -0.681 0.040 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -2.733 0.327 -0.208 1.00 0.00 H new ATOM 0 HE1 PHE A 141 0.936 -2.276 1.871 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -3.230 -1.268 1.623 1.00 0.00 H new ATOM 0 HZ PHE A 141 -1.394 -2.569 2.664 1.00 0.00 H new ATOM 1018 N VAL A 142 0.109 -1.174 -3.736 1.00 0.00 N ATOM 1019 CA VAL A 142 -0.167 -2.540 -4.260 1.00 0.00 C ATOM 1020 C VAL A 142 1.151 -3.288 -4.480 1.00 0.00 C ATOM 1021 O VAL A 142 1.203 -4.499 -4.413 1.00 0.00 O ATOM 1022 CB VAL A 142 -0.931 -2.418 -5.586 1.00 0.00 C ATOM 1023 CG1 VAL A 142 -0.330 -1.286 -6.422 1.00 0.00 C ATOM 1024 CG2 VAL A 142 -0.840 -3.736 -6.364 1.00 0.00 C ATOM 0 H VAL A 142 -0.179 -0.413 -4.351 1.00 0.00 H new ATOM 0 HA VAL A 142 -0.768 -3.097 -3.542 1.00 0.00 H new ATOM 0 HB VAL A 142 -1.978 -2.198 -5.377 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -0.873 -1.201 -7.363 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -0.406 -0.348 -5.872 1.00 0.00 H new ATOM 0 HG13 VAL A 142 0.719 -1.502 -6.627 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -1.384 -3.642 -7.304 1.00 0.00 H new ATOM 0 HG22 VAL A 142 0.205 -3.965 -6.571 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -1.276 -4.540 -5.771 1.00 0.00 H new ATOM 1034 N GLN A 143 2.217 -2.581 -4.741 1.00 0.00 N ATOM 1035 CA GLN A 143 3.522 -3.264 -4.960 1.00 0.00 C ATOM 1036 C GLN A 143 3.866 -4.100 -3.727 1.00 0.00 C ATOM 1037 O GLN A 143 4.581 -5.078 -3.807 1.00 0.00 O ATOM 1038 CB GLN A 143 4.614 -2.216 -5.189 1.00 0.00 C ATOM 1039 CG GLN A 143 5.974 -2.908 -5.288 1.00 0.00 C ATOM 1040 CD GLN A 143 6.998 -1.941 -5.883 1.00 0.00 C ATOM 1041 OE1 GLN A 143 7.975 -2.358 -6.473 1.00 0.00 O ATOM 1042 NE2 GLN A 143 6.814 -0.655 -5.753 1.00 0.00 N ATOM 0 H GLN A 143 2.240 -1.564 -4.812 1.00 0.00 H new ATOM 0 HA GLN A 143 3.455 -3.912 -5.834 1.00 0.00 H new ATOM 0 HB2 GLN A 143 4.411 -1.658 -6.103 1.00 0.00 H new ATOM 0 HB3 GLN A 143 4.619 -1.496 -4.370 1.00 0.00 H new ATOM 0 HG2 GLN A 143 6.299 -3.236 -4.301 1.00 0.00 H new ATOM 0 HG3 GLN A 143 5.896 -3.799 -5.911 1.00 0.00 H new ATOM 0 HE21 GLN A 143 5.994 -0.305 -5.258 1.00 0.00 H new ATOM 0 HE22 GLN A 143 7.490 -0.001 -6.147 1.00 0.00 H new ATOM 1051 N MET A 144 3.360 -3.720 -2.586 1.00 0.00 N ATOM 1052 CA MET A 144 3.655 -4.491 -1.346 1.00 0.00 C ATOM 1053 C MET A 144 2.670 -5.654 -1.237 1.00 0.00 C ATOM 1054 O MET A 144 2.977 -6.693 -0.688 1.00 0.00 O ATOM 1055 CB MET A 144 3.497 -3.589 -0.117 1.00 0.00 C ATOM 1056 CG MET A 144 3.983 -2.172 -0.431 1.00 0.00 C ATOM 1057 SD MET A 144 5.563 -1.878 0.399 1.00 0.00 S ATOM 1058 CE MET A 144 6.625 -2.151 -1.041 1.00 0.00 C ATOM 0 H MET A 144 2.755 -2.909 -2.459 1.00 0.00 H new ATOM 0 HA MET A 144 4.678 -4.864 -1.390 1.00 0.00 H new ATOM 0 HB2 MET A 144 2.452 -3.562 0.191 1.00 0.00 H new ATOM 0 HB3 MET A 144 4.065 -3.999 0.718 1.00 0.00 H new ATOM 0 HG2 MET A 144 4.097 -2.045 -1.508 1.00 0.00 H new ATOM 0 HG3 MET A 144 3.245 -1.441 -0.100 1.00 0.00 H new ATOM 0 HE1 MET A 144 7.419 -2.850 -0.780 1.00 0.00 H new ATOM 0 HE2 MET A 144 6.032 -2.564 -1.857 1.00 0.00 H new ATOM 0 HE3 MET A 144 7.064 -1.204 -1.354 1.00 0.00 H new ATOM 1068 N MET A 145 1.484 -5.480 -1.751 1.00 0.00 N ATOM 1069 CA MET A 145 0.471 -6.567 -1.674 1.00 0.00 C ATOM 1070 C MET A 145 0.746 -7.603 -2.766 1.00 0.00 C ATOM 1071 O MET A 145 0.251 -8.711 -2.723 1.00 0.00 O ATOM 1072 CB MET A 145 -0.928 -5.977 -1.874 1.00 0.00 C ATOM 1073 CG MET A 145 -1.070 -4.693 -1.049 1.00 0.00 C ATOM 1074 SD MET A 145 -1.967 -5.056 0.480 1.00 0.00 S ATOM 1075 CE MET A 145 -3.636 -4.820 -0.176 1.00 0.00 C ATOM 0 H MET A 145 1.173 -4.630 -2.222 1.00 0.00 H new ATOM 0 HA MET A 145 0.529 -7.046 -0.696 1.00 0.00 H new ATOM 0 HB2 MET A 145 -1.095 -5.763 -2.930 1.00 0.00 H new ATOM 0 HB3 MET A 145 -1.685 -6.701 -1.572 1.00 0.00 H new ATOM 0 HG2 MET A 145 -0.086 -4.286 -0.818 1.00 0.00 H new ATOM 0 HG3 MET A 145 -1.602 -3.935 -1.624 1.00 0.00 H new ATOM 0 HE1 MET A 145 -4.368 -5.083 0.588 1.00 0.00 H new ATOM 0 HE2 MET A 145 -3.770 -3.777 -0.463 1.00 0.00 H new ATOM 0 HE3 MET A 145 -3.777 -5.458 -1.049 1.00 0.00 H new ATOM 1085 N THR A 146 1.533 -7.251 -3.746 1.00 0.00 N ATOM 1086 CA THR A 146 1.838 -8.216 -4.838 1.00 0.00 C ATOM 1087 C THR A 146 3.344 -8.225 -5.101 1.00 0.00 C ATOM 1088 O THR A 146 3.796 -8.575 -6.173 1.00 0.00 O ATOM 1089 CB THR A 146 1.098 -7.799 -6.111 1.00 0.00 C ATOM 1090 OG1 THR A 146 1.632 -8.509 -7.221 1.00 0.00 O ATOM 1091 CG2 THR A 146 1.267 -6.295 -6.335 1.00 0.00 C ATOM 0 H THR A 146 1.977 -6.337 -3.837 1.00 0.00 H new ATOM 0 HA THR A 146 1.514 -9.214 -4.543 1.00 0.00 H new ATOM 0 HB THR A 146 0.038 -8.030 -6.007 1.00 0.00 H new ATOM 0 HG1 THR A 146 2.595 -8.339 -7.286 1.00 0.00 H new ATOM 0 HG21 THR A 146 0.739 -6.001 -7.242 1.00 0.00 H new ATOM 0 HG22 THR A 146 0.856 -5.752 -5.484 1.00 0.00 H new ATOM 0 HG23 THR A 146 2.326 -6.059 -6.439 1.00 0.00 H new