USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 576 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 144 MET CE :methyl -131:sc= -5.87! (180deg=-11.2!) USER MOD Set 1.2: B1919 TYR OH : rot 180:sc= -0.0466 USER MOD Set 2.1: A 124 MET CE :methyl -158:sc= -5.13! (180deg=-7.32!) USER MOD Set 2.2: B1916 TYR OH : rot 180:sc= 0.376 USER MOD Single : A 81 SER OG : rot -26:sc= 0.528 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -0.552 X(o=-0.55,f=-0.053) USER MOD Single : A 109 MET CE :methyl -134:sc= -1.27 (180deg=-3.74!) USER MOD Single : A 110 THR OG1 : rot -104:sc= 1.05 USER MOD Single : A 111 ASN : amide:sc= -0.921 K(o=-0.92,f=-2.4!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -111:sc= -0.451 USER MOD Single : A 137 ASN : amide:sc= -0.318 K(o=-0.32,f=-6.4!) USER MOD Single : A 138 TYR OH : rot 150:sc= -0.873 USER MOD Single : A 145 MET CE :methyl 161:sc= -3.08! (180deg=-4.4!) USER MOD Single : B1908 SER OG : rot 100:sc= -1.34! USER MOD Single : B1913 GLN : amide:sc= -0.732 K(o=-0.73,f=-7.2!) USER MOD ----------------------------------------------------------------- ATOM 86 N SER A 81 0.512 10.231 2.076 1.00 0.00 N ATOM 87 CA SER A 81 0.586 8.827 1.687 1.00 0.00 C ATOM 88 C SER A 81 1.528 8.043 2.597 1.00 0.00 C ATOM 89 O SER A 81 1.202 6.943 3.037 1.00 0.00 O ATOM 90 CB SER A 81 1.053 8.701 0.236 1.00 0.00 C ATOM 91 OG SER A 81 1.939 9.753 -0.108 1.00 0.00 O ATOM 0 HA SER A 81 -0.415 8.406 1.786 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.550 7.741 0.093 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.190 8.716 -0.430 1.00 0.00 H new ATOM 0 HG SER A 81 1.754 10.534 0.454 1.00 0.00 H new ATOM 97 N GLU A 82 2.702 8.607 2.862 1.00 0.00 N ATOM 98 CA GLU A 82 3.700 7.950 3.704 1.00 0.00 C ATOM 99 C GLU A 82 3.132 7.559 5.069 1.00 0.00 C ATOM 100 O GLU A 82 3.178 6.393 5.457 1.00 0.00 O ATOM 101 CB GLU A 82 4.911 8.866 3.893 1.00 0.00 C ATOM 102 CG GLU A 82 6.200 8.119 4.188 1.00 0.00 C ATOM 103 CD GLU A 82 7.436 8.914 3.813 1.00 0.00 C ATOM 104 OE1 GLU A 82 7.569 9.280 2.626 1.00 0.00 O ATOM 105 OE2 GLU A 82 8.269 9.173 4.707 1.00 0.00 O1- ATOM 0 H GLU A 82 2.988 9.519 2.506 1.00 0.00 H new ATOM 0 HA GLU A 82 4.003 7.035 3.196 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.046 9.465 2.993 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.708 9.559 4.710 1.00 0.00 H new ATOM 0 HG2 GLU A 82 6.239 7.874 5.249 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.201 7.175 3.643 1.00 0.00 H new ATOM 112 N GLU A 83 2.616 8.540 5.801 1.00 0.00 N ATOM 113 CA GLU A 83 2.062 8.296 7.131 1.00 0.00 C ATOM 114 C GLU A 83 0.861 7.353 7.089 1.00 0.00 C ATOM 115 O GLU A 83 0.720 6.479 7.943 1.00 0.00 O ATOM 116 CB GLU A 83 1.659 9.618 7.784 1.00 0.00 C ATOM 117 CG GLU A 83 1.605 9.558 9.302 1.00 0.00 C ATOM 118 CD GLU A 83 0.752 10.660 9.900 1.00 0.00 C ATOM 119 OE1 GLU A 83 0.602 11.713 9.248 1.00 0.00 O1- ATOM 120 OE2 GLU A 83 0.236 10.468 11.021 1.00 0.00 O ATOM 0 H GLU A 83 2.569 9.513 5.497 1.00 0.00 H new ATOM 0 HA GLU A 83 2.840 7.815 7.723 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.366 10.391 7.485 1.00 0.00 H new ATOM 0 HB3 GLU A 83 0.681 9.917 7.406 1.00 0.00 H new ATOM 0 HG2 GLU A 83 1.209 8.590 9.610 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.617 9.630 9.701 1.00 0.00 H new ATOM 127 N GLU A 84 -0.011 7.542 6.105 1.00 0.00 N ATOM 128 CA GLU A 84 -1.206 6.714 5.974 1.00 0.00 C ATOM 129 C GLU A 84 -0.859 5.295 5.526 1.00 0.00 C ATOM 130 O GLU A 84 -1.362 4.318 6.080 1.00 0.00 O ATOM 131 CB GLU A 84 -2.183 7.352 4.984 1.00 0.00 C ATOM 132 CG GLU A 84 -2.719 8.698 5.446 1.00 0.00 C ATOM 133 CD GLU A 84 -4.014 9.078 4.757 1.00 0.00 C ATOM 134 OE1 GLU A 84 -4.298 8.520 3.676 1.00 0.00 O ATOM 135 OE2 GLU A 84 -4.746 9.932 5.299 1.00 0.00 O1- ATOM 0 H GLU A 84 0.086 8.260 5.387 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.676 6.650 6.955 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.684 7.478 4.023 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.020 6.672 4.822 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.880 8.670 6.524 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.971 9.468 5.255 1.00 0.00 H new ATOM 142 N LEU A 85 0.001 5.192 4.520 1.00 0.00 N ATOM 143 CA LEU A 85 0.416 3.897 3.991 1.00 0.00 C ATOM 144 C LEU A 85 1.094 3.057 5.073 1.00 0.00 C ATOM 145 O LEU A 85 0.760 1.886 5.258 1.00 0.00 O ATOM 146 CB LEU A 85 1.348 4.110 2.790 1.00 0.00 C ATOM 147 CG LEU A 85 2.142 2.887 2.316 1.00 0.00 C ATOM 148 CD1 LEU A 85 1.208 1.752 1.938 1.00 0.00 C ATOM 149 CD2 LEU A 85 3.026 3.263 1.137 1.00 0.00 C ATOM 0 H LEU A 85 0.426 5.992 4.052 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.466 3.349 3.660 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.750 4.474 1.954 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.056 4.899 3.043 1.00 0.00 H new ATOM 0 HG LEU A 85 2.775 2.547 3.136 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.793 0.895 1.605 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.610 1.469 2.804 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.549 2.076 1.133 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.586 2.387 0.808 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.405 3.626 0.318 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.722 4.046 1.439 1.00 0.00 H new ATOM 161 N ILE A 86 2.041 3.658 5.787 1.00 0.00 N ATOM 162 CA ILE A 86 2.752 2.956 6.850 1.00 0.00 C ATOM 163 C ILE A 86 1.782 2.491 7.937 1.00 0.00 C ATOM 164 O ILE A 86 1.913 1.388 8.466 1.00 0.00 O ATOM 165 CB ILE A 86 3.852 3.849 7.473 1.00 0.00 C ATOM 166 CG1 ILE A 86 4.851 4.278 6.398 1.00 0.00 C ATOM 167 CG2 ILE A 86 4.577 3.127 8.603 1.00 0.00 C ATOM 168 CD1 ILE A 86 5.638 5.516 6.764 1.00 0.00 C ATOM 0 H ILE A 86 2.333 4.626 5.650 1.00 0.00 H new ATOM 0 HA ILE A 86 3.228 2.083 6.404 1.00 0.00 H new ATOM 0 HB ILE A 86 3.372 4.733 7.891 1.00 0.00 H new ATOM 0 HG12 ILE A 86 5.545 3.459 6.211 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.314 4.461 5.467 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.343 3.781 9.020 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.863 2.862 9.383 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.044 2.221 8.216 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.327 5.762 5.956 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.953 6.349 6.923 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.203 5.331 7.678 1.00 0.00 H new ATOM 180 N GLU A 87 0.809 3.336 8.260 1.00 0.00 N ATOM 181 CA GLU A 87 -0.181 3.006 9.280 1.00 0.00 C ATOM 182 C GLU A 87 -1.111 1.900 8.791 1.00 0.00 C ATOM 183 O GLU A 87 -1.416 0.958 9.526 1.00 0.00 O ATOM 184 CB GLU A 87 -0.995 4.246 9.653 1.00 0.00 C ATOM 185 CG GLU A 87 -2.018 3.995 10.750 1.00 0.00 C ATOM 186 CD GLU A 87 -3.167 4.984 10.711 1.00 0.00 C ATOM 187 OE1 GLU A 87 -3.965 4.929 9.753 1.00 0.00 O ATOM 188 OE2 GLU A 87 -3.267 5.812 11.640 1.00 0.00 O1- ATOM 0 H GLU A 87 0.684 4.253 7.831 1.00 0.00 H new ATOM 0 HA GLU A 87 0.347 2.650 10.165 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.314 5.034 9.976 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.509 4.613 8.765 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.411 2.983 10.651 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -1.526 4.053 11.721 1.00 0.00 H new ATOM 195 N ALA A 88 -1.555 2.017 7.543 1.00 0.00 N ATOM 196 CA ALA A 88 -2.447 1.027 6.955 1.00 0.00 C ATOM 197 C ALA A 88 -1.789 -0.347 6.926 1.00 0.00 C ATOM 198 O ALA A 88 -2.371 -1.334 7.373 1.00 0.00 O ATOM 199 CB ALA A 88 -2.850 1.448 5.552 1.00 0.00 C ATOM 0 H ALA A 88 -1.311 2.788 6.921 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.342 0.964 7.574 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.517 0.699 5.125 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.363 2.409 5.594 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -1.960 1.539 4.930 1.00 0.00 H new ATOM 205 N PHE A 89 -0.568 -0.401 6.406 1.00 0.00 N ATOM 206 CA PHE A 89 0.170 -1.654 6.331 1.00 0.00 C ATOM 207 C PHE A 89 0.467 -2.180 7.725 1.00 0.00 C ATOM 208 O PHE A 89 0.455 -3.386 7.967 1.00 0.00 O ATOM 209 CB PHE A 89 1.471 -1.473 5.543 1.00 0.00 C ATOM 210 CG PHE A 89 1.372 -1.861 4.091 1.00 0.00 C ATOM 211 CD1 PHE A 89 0.668 -2.992 3.697 1.00 0.00 C ATOM 212 CD2 PHE A 89 1.994 -1.095 3.121 1.00 0.00 C ATOM 213 CE1 PHE A 89 0.589 -3.346 2.363 1.00 0.00 C ATOM 214 CE2 PHE A 89 1.917 -1.442 1.787 1.00 0.00 C ATOM 215 CZ PHE A 89 1.214 -2.570 1.406 1.00 0.00 C ATOM 0 H PHE A 89 -0.070 0.407 6.031 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.449 -2.382 5.808 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.780 -0.430 5.609 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.254 -2.068 6.014 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.177 -3.601 4.441 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.547 -0.214 3.411 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.039 -4.228 2.069 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.406 -0.833 1.041 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.154 -2.844 0.363 1.00 0.00 H new ATOM 225 N LYS A 90 0.730 -1.256 8.640 1.00 0.00 N ATOM 226 CA LYS A 90 1.031 -1.600 10.031 1.00 0.00 C ATOM 227 C LYS A 90 -0.047 -2.514 10.607 1.00 0.00 C ATOM 228 O LYS A 90 0.246 -3.449 11.353 1.00 0.00 O ATOM 229 CB LYS A 90 1.152 -0.328 10.877 1.00 0.00 C ATOM 230 CG LYS A 90 2.589 0.084 11.150 1.00 0.00 C ATOM 231 CD LYS A 90 2.696 0.933 12.409 1.00 0.00 C ATOM 232 CE LYS A 90 2.970 0.084 13.644 1.00 0.00 C ATOM 233 NZ LYS A 90 1.922 0.264 14.685 1.00 0.00 N1+ ATOM 0 H LYS A 90 0.742 -0.255 8.446 1.00 0.00 H new ATOM 0 HA LYS A 90 1.982 -2.132 10.054 1.00 0.00 H new ATOM 0 HB2 LYS A 90 0.639 0.488 10.368 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.640 -0.483 11.827 1.00 0.00 H new ATOM 0 HG2 LYS A 90 3.210 -0.806 11.256 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.976 0.644 10.299 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.495 1.665 12.287 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.771 1.492 12.550 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.021 -0.967 13.358 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.943 0.349 14.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.145 -0.330 15.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.890 1.262 14.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.997 -0.013 14.298 1.00 0.00 H new ATOM 247 N VAL A 91 -1.295 -2.240 10.243 1.00 0.00 N ATOM 248 CA VAL A 91 -2.421 -3.039 10.709 1.00 0.00 C ATOM 249 C VAL A 91 -2.260 -4.499 10.290 1.00 0.00 C ATOM 250 O VAL A 91 -2.709 -5.409 10.987 1.00 0.00 O ATOM 251 CB VAL A 91 -3.758 -2.505 10.161 1.00 0.00 C ATOM 252 CG1 VAL A 91 -4.929 -3.206 10.832 1.00 0.00 C ATOM 253 CG2 VAL A 91 -3.849 -0.997 10.346 1.00 0.00 C ATOM 0 H VAL A 91 -1.552 -1.470 9.626 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.433 -2.969 11.797 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.802 -2.718 9.093 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.865 -2.815 10.432 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.871 -4.277 10.639 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.892 -3.029 11.907 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.800 -0.639 9.953 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.781 -0.756 11.407 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.031 -0.515 9.811 1.00 0.00 H new ATOM 263 N PHE A 92 -1.614 -4.713 9.146 1.00 0.00 N ATOM 264 CA PHE A 92 -1.390 -6.059 8.632 1.00 0.00 C ATOM 265 C PHE A 92 0.048 -6.508 8.889 1.00 0.00 C ATOM 266 O PHE A 92 0.600 -7.308 8.133 1.00 0.00 O ATOM 267 CB PHE A 92 -1.695 -6.113 7.134 1.00 0.00 C ATOM 268 CG PHE A 92 -3.106 -5.727 6.795 1.00 0.00 C ATOM 269 CD1 PHE A 92 -4.144 -6.632 6.954 1.00 0.00 C ATOM 270 CD2 PHE A 92 -3.396 -4.458 6.321 1.00 0.00 C ATOM 271 CE1 PHE A 92 -5.443 -6.279 6.644 1.00 0.00 C ATOM 272 CE2 PHE A 92 -4.693 -4.099 6.008 1.00 0.00 C ATOM 273 CZ PHE A 92 -5.718 -5.010 6.170 1.00 0.00 C ATOM 0 H PHE A 92 -1.237 -3.970 8.558 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.062 -6.738 9.156 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.009 -5.449 6.608 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.505 -7.122 6.769 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -3.935 -7.625 7.325 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -2.599 -3.741 6.195 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -6.243 -6.994 6.772 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.905 -3.107 5.637 1.00 0.00 H new ATOM 0 HZ PHE A 92 -6.733 -4.732 5.927 1.00 0.00 H new ATOM 352 N GLY A 98 7.986 -5.891 10.340 1.00 0.00 N ATOM 353 CA GLY A 98 7.140 -4.990 9.581 1.00 0.00 C ATOM 354 C GLY A 98 7.027 -5.384 8.122 1.00 0.00 C ATOM 355 O GLY A 98 7.106 -4.533 7.236 1.00 0.00 O ATOM 0 HA2 GLY A 98 6.145 -4.971 10.026 1.00 0.00 H new ATOM 0 HA3 GLY A 98 7.540 -3.978 9.650 1.00 0.00 H new ATOM 359 N LEU A 99 6.842 -6.677 7.869 1.00 0.00 N ATOM 360 CA LEU A 99 6.717 -7.178 6.503 1.00 0.00 C ATOM 361 C LEU A 99 5.349 -7.810 6.280 1.00 0.00 C ATOM 362 O LEU A 99 4.608 -8.067 7.228 1.00 0.00 O ATOM 363 CB LEU A 99 7.821 -8.194 6.202 1.00 0.00 C ATOM 364 CG LEU A 99 9.241 -7.626 6.196 1.00 0.00 C ATOM 365 CD1 LEU A 99 9.842 -7.680 7.592 1.00 0.00 C ATOM 366 CD2 LEU A 99 10.113 -8.385 5.208 1.00 0.00 C ATOM 0 H LEU A 99 6.775 -7.395 8.590 1.00 0.00 H new ATOM 0 HA LEU A 99 6.822 -6.333 5.823 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.769 -8.993 6.941 1.00 0.00 H new ATOM 0 HB3 LEU A 99 7.623 -8.645 5.230 1.00 0.00 H new ATOM 0 HG LEU A 99 9.195 -6.583 5.883 1.00 0.00 H new ATOM 0 HD11 LEU A 99 10.852 -7.272 7.569 1.00 0.00 H new ATOM 0 HD12 LEU A 99 9.229 -7.092 8.275 1.00 0.00 H new ATOM 0 HD13 LEU A 99 9.876 -8.715 7.934 1.00 0.00 H new ATOM 0 HD21 LEU A 99 11.120 -7.968 5.216 1.00 0.00 H new ATOM 0 HD22 LEU A 99 10.153 -9.437 5.492 1.00 0.00 H new ATOM 0 HD23 LEU A 99 9.691 -8.295 4.207 1.00 0.00 H new ATOM 378 N ILE A 100 5.015 -8.051 5.016 1.00 0.00 N ATOM 379 CA ILE A 100 3.733 -8.645 4.664 1.00 0.00 C ATOM 380 C ILE A 100 3.872 -9.586 3.468 1.00 0.00 C ATOM 381 O ILE A 100 4.732 -9.390 2.610 1.00 0.00 O ATOM 382 CB ILE A 100 2.685 -7.555 4.351 1.00 0.00 C ATOM 383 CG1 ILE A 100 1.307 -8.184 4.134 1.00 0.00 C ATOM 384 CG2 ILE A 100 3.101 -6.737 3.136 1.00 0.00 C ATOM 385 CD1 ILE A 100 0.175 -7.180 4.168 1.00 0.00 C ATOM 0 H ILE A 100 5.616 -7.843 4.219 1.00 0.00 H new ATOM 0 HA ILE A 100 3.394 -9.222 5.525 1.00 0.00 H new ATOM 0 HB ILE A 100 2.625 -6.882 5.206 1.00 0.00 H new ATOM 0 HG12 ILE A 100 1.298 -8.698 3.173 1.00 0.00 H new ATOM 0 HG13 ILE A 100 1.136 -8.939 4.901 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.348 -5.976 2.935 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.059 -6.256 3.332 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.194 -7.393 2.270 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -0.772 -7.694 4.007 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.158 -6.683 5.138 1.00 0.00 H new ATOM 0 HD13 ILE A 100 0.323 -6.438 3.383 1.00 0.00 H new ATOM 397 N SER A 101 3.024 -10.609 3.420 1.00 0.00 N ATOM 398 CA SER A 101 3.058 -11.579 2.331 1.00 0.00 C ATOM 399 C SER A 101 2.293 -11.063 1.115 1.00 0.00 C ATOM 400 O SER A 101 1.190 -10.531 1.243 1.00 0.00 O ATOM 401 CB SER A 101 2.478 -12.919 2.796 1.00 0.00 C ATOM 402 OG SER A 101 3.391 -13.978 2.565 1.00 0.00 O ATOM 0 H SER A 101 2.306 -10.787 4.122 1.00 0.00 H new ATOM 0 HA SER A 101 4.098 -11.727 2.039 1.00 0.00 H new ATOM 0 HB2 SER A 101 2.239 -12.866 3.858 1.00 0.00 H new ATOM 0 HB3 SER A 101 1.545 -13.118 2.269 1.00 0.00 H new ATOM 0 HG SER A 101 2.998 -14.822 2.872 1.00 0.00 H new ATOM 408 N ALA A 102 2.887 -11.224 -0.064 1.00 0.00 N ATOM 409 CA ALA A 102 2.262 -10.776 -1.303 1.00 0.00 C ATOM 410 C ALA A 102 1.066 -11.649 -1.666 1.00 0.00 C ATOM 411 O ALA A 102 0.087 -11.171 -2.241 1.00 0.00 O ATOM 412 CB ALA A 102 3.282 -10.772 -2.435 1.00 0.00 C ATOM 0 H ALA A 102 3.800 -11.661 -0.187 1.00 0.00 H new ATOM 0 HA ALA A 102 1.899 -9.760 -1.151 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.803 -10.436 -3.355 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.101 -10.098 -2.184 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.672 -11.780 -2.577 1.00 0.00 H new ATOM 418 N ALA A 103 1.151 -12.933 -1.332 1.00 0.00 N ATOM 419 CA ALA A 103 0.076 -13.872 -1.627 1.00 0.00 C ATOM 420 C ALA A 103 -1.221 -13.461 -0.936 1.00 0.00 C ATOM 421 O ALA A 103 -2.264 -13.333 -1.577 1.00 0.00 O ATOM 422 CB ALA A 103 0.475 -15.279 -1.208 1.00 0.00 C ATOM 0 H ALA A 103 1.953 -13.346 -0.857 1.00 0.00 H new ATOM 0 HA ALA A 103 -0.097 -13.859 -2.703 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.337 -15.970 -1.434 1.00 0.00 H new ATOM 0 HB2 ALA A 103 1.370 -15.581 -1.752 1.00 0.00 H new ATOM 0 HB3 ALA A 103 0.678 -15.296 -0.137 1.00 0.00 H new ATOM 428 N GLU A 104 -1.148 -13.255 0.374 1.00 0.00 N ATOM 429 CA GLU A 104 -2.320 -12.858 1.151 1.00 0.00 C ATOM 430 C GLU A 104 -2.681 -11.400 0.886 1.00 0.00 C ATOM 431 O GLU A 104 -3.858 -11.048 0.807 1.00 0.00 O ATOM 432 CB GLU A 104 -2.081 -13.071 2.648 1.00 0.00 C ATOM 433 CG GLU A 104 -0.720 -12.595 3.132 1.00 0.00 C ATOM 434 CD GLU A 104 -0.810 -11.681 4.339 1.00 0.00 C ATOM 435 OE1 GLU A 104 -1.666 -10.772 4.333 1.00 0.00 O1- ATOM 436 OE2 GLU A 104 -0.023 -11.875 5.290 1.00 0.00 O ATOM 0 H GLU A 104 -0.293 -13.356 0.921 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.153 -13.487 0.837 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -2.857 -12.548 3.207 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -2.185 -14.132 2.875 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -0.106 -13.460 3.383 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -0.215 -12.070 2.321 1.00 0.00 H new ATOM 443 N LEU A 105 -1.663 -10.557 0.748 1.00 0.00 N ATOM 444 CA LEU A 105 -1.871 -9.135 0.491 1.00 0.00 C ATOM 445 C LEU A 105 -2.684 -8.929 -0.784 1.00 0.00 C ATOM 446 O LEU A 105 -3.467 -7.985 -0.889 1.00 0.00 O ATOM 447 CB LEU A 105 -0.525 -8.414 0.375 1.00 0.00 C ATOM 448 CG LEU A 105 -0.612 -6.928 0.019 1.00 0.00 C ATOM 449 CD1 LEU A 105 -1.487 -6.187 1.018 1.00 0.00 C ATOM 450 CD2 LEU A 105 0.779 -6.312 -0.033 1.00 0.00 C ATOM 0 H LEU A 105 -0.683 -10.834 0.810 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.428 -8.715 1.329 1.00 0.00 H new ATOM 0 HB2 LEU A 105 0.006 -8.514 1.322 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.075 -8.918 -0.382 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.068 -6.837 -0.967 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.536 -5.132 0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.491 -6.611 1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.062 -6.286 2.017 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.700 -5.255 -0.287 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.260 -6.416 0.940 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.375 -6.823 -0.789 1.00 0.00 H new ATOM 462 N ARG A 106 -2.492 -9.823 -1.747 1.00 0.00 N ATOM 463 CA ARG A 106 -3.206 -9.746 -3.014 1.00 0.00 C ATOM 464 C ARG A 106 -4.700 -9.967 -2.806 1.00 0.00 C ATOM 465 O ARG A 106 -5.525 -9.183 -3.271 1.00 0.00 O ATOM 466 CB ARG A 106 -2.652 -10.785 -3.993 1.00 0.00 C ATOM 467 CG ARG A 106 -3.356 -10.793 -5.344 1.00 0.00 C ATOM 468 CD ARG A 106 -2.375 -10.987 -6.493 1.00 0.00 C ATOM 469 NE ARG A 106 -2.770 -12.086 -7.372 1.00 0.00 N ATOM 470 CZ ARG A 106 -2.794 -13.367 -7.004 1.00 0.00 C ATOM 471 NH1 ARG A 106 -2.452 -13.724 -5.770 1.00 0.00 N1+ ATOM 472 NH2 ARG A 106 -3.164 -14.296 -7.875 1.00 0.00 N ATOM 0 H ARG A 106 -1.847 -10.610 -1.674 1.00 0.00 H new ATOM 0 HA ARG A 106 -3.061 -8.750 -3.431 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -1.590 -10.594 -4.148 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -2.736 -11.775 -3.544 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -4.099 -11.591 -5.362 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -3.893 -9.854 -5.479 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -2.308 -10.066 -7.072 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -1.381 -11.184 -6.091 1.00 0.00 H new ATOM 0 HE ARG A 106 -3.045 -11.858 -8.328 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -2.168 -13.015 -5.094 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -2.474 -14.707 -5.499 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -3.429 -14.029 -8.823 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -3.183 -15.277 -7.597 1.00 0.00 H new ATOM 486 N HIS A 107 -5.038 -11.042 -2.103 1.00 0.00 N ATOM 487 CA HIS A 107 -6.432 -11.373 -1.831 1.00 0.00 C ATOM 488 C HIS A 107 -7.090 -10.317 -0.948 1.00 0.00 C ATOM 489 O HIS A 107 -8.226 -9.910 -1.192 1.00 0.00 O ATOM 490 CB HIS A 107 -6.524 -12.743 -1.156 1.00 0.00 C ATOM 491 CG HIS A 107 -7.930 -13.201 -0.923 1.00 0.00 C ATOM 492 ND1 HIS A 107 -8.508 -14.242 -1.619 1.00 0.00 N ATOM 493 CD2 HIS A 107 -8.877 -12.752 -0.066 1.00 0.00 C ATOM 494 CE1 HIS A 107 -9.748 -14.415 -1.200 1.00 0.00 C ATOM 495 NE2 HIS A 107 -9.997 -13.523 -0.259 1.00 0.00 N ATOM 0 H HIS A 107 -4.365 -11.700 -1.711 1.00 0.00 H new ATOM 0 HA HIS A 107 -6.962 -11.400 -2.783 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -6.008 -13.479 -1.773 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -6.000 -12.705 -0.201 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -8.771 -11.940 0.638 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -10.440 -15.159 -1.565 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -10.879 -13.423 0.244 1.00 0.00 H new ATOM 504 N VAL A 108 -6.371 -9.883 0.080 1.00 0.00 N ATOM 505 CA VAL A 108 -6.883 -8.880 1.006 1.00 0.00 C ATOM 506 C VAL A 108 -7.245 -7.583 0.287 1.00 0.00 C ATOM 507 O VAL A 108 -8.392 -7.137 0.332 1.00 0.00 O ATOM 508 CB VAL A 108 -5.855 -8.568 2.116 1.00 0.00 C ATOM 509 CG1 VAL A 108 -6.448 -7.627 3.157 1.00 0.00 C ATOM 510 CG2 VAL A 108 -5.360 -9.853 2.768 1.00 0.00 C ATOM 0 H VAL A 108 -5.429 -10.211 0.294 1.00 0.00 H new ATOM 0 HA VAL A 108 -7.784 -9.300 1.454 1.00 0.00 H new ATOM 0 HB VAL A 108 -5.002 -8.068 1.657 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -5.705 -7.422 3.928 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -6.741 -6.693 2.678 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -7.323 -8.092 3.611 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -4.637 -9.611 3.547 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -6.203 -10.386 3.208 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -4.886 -10.483 2.016 1.00 0.00 H new ATOM 520 N MET A 109 -6.258 -6.975 -0.357 1.00 0.00 N ATOM 521 CA MET A 109 -6.464 -5.717 -1.066 1.00 0.00 C ATOM 522 C MET A 109 -7.496 -5.851 -2.186 1.00 0.00 C ATOM 523 O MET A 109 -8.406 -5.029 -2.298 1.00 0.00 O ATOM 524 CB MET A 109 -5.137 -5.210 -1.634 1.00 0.00 C ATOM 525 CG MET A 109 -4.018 -5.142 -0.605 1.00 0.00 C ATOM 526 SD MET A 109 -3.820 -3.495 0.098 1.00 0.00 S ATOM 527 CE MET A 109 -3.938 -3.857 1.849 1.00 0.00 C ATOM 0 H MET A 109 -5.304 -7.333 -0.404 1.00 0.00 H new ATOM 0 HA MET A 109 -6.853 -4.996 -0.346 1.00 0.00 H new ATOM 0 HB2 MET A 109 -4.828 -5.862 -2.451 1.00 0.00 H new ATOM 0 HB3 MET A 109 -5.289 -4.218 -2.059 1.00 0.00 H new ATOM 0 HG2 MET A 109 -4.223 -5.852 0.196 1.00 0.00 H new ATOM 0 HG3 MET A 109 -3.082 -5.449 -1.071 1.00 0.00 H new ATOM 0 HE1 MET A 109 -4.605 -3.138 2.325 1.00 0.00 H new ATOM 0 HE2 MET A 109 -4.332 -4.864 1.987 1.00 0.00 H new ATOM 0 HE3 MET A 109 -2.949 -3.790 2.302 1.00 0.00 H new ATOM 537 N THR A 110 -7.353 -6.880 -3.016 1.00 0.00 N ATOM 538 CA THR A 110 -8.281 -7.095 -4.124 1.00 0.00 C ATOM 539 C THR A 110 -9.695 -7.352 -3.617 1.00 0.00 C ATOM 540 O THR A 110 -10.656 -6.756 -4.103 1.00 0.00 O ATOM 541 CB THR A 110 -7.819 -8.264 -4.995 1.00 0.00 C ATOM 542 OG1 THR A 110 -7.788 -9.467 -4.247 1.00 0.00 O ATOM 543 CG2 THR A 110 -6.447 -8.055 -5.595 1.00 0.00 C ATOM 0 H THR A 110 -6.609 -7.574 -2.944 1.00 0.00 H new ATOM 0 HA THR A 110 -8.292 -6.187 -4.727 1.00 0.00 H new ATOM 0 HB THR A 110 -8.545 -8.326 -5.806 1.00 0.00 H new ATOM 0 HG1 THR A 110 -6.860 -9.690 -4.025 1.00 0.00 H new ATOM 0 HG21 THR A 110 -6.179 -8.920 -6.201 1.00 0.00 H new ATOM 0 HG22 THR A 110 -6.456 -7.162 -6.221 1.00 0.00 H new ATOM 0 HG23 THR A 110 -5.716 -7.931 -4.796 1.00 0.00 H new ATOM 551 N ASN A 111 -9.814 -8.243 -2.644 1.00 0.00 N ATOM 552 CA ASN A 111 -11.112 -8.582 -2.075 1.00 0.00 C ATOM 553 C ASN A 111 -11.765 -7.379 -1.393 1.00 0.00 C ATOM 554 O ASN A 111 -12.969 -7.388 -1.140 1.00 0.00 O ATOM 555 CB ASN A 111 -10.967 -9.731 -1.076 1.00 0.00 C ATOM 556 CG ASN A 111 -12.308 -10.246 -0.591 1.00 0.00 C ATOM 557 OD1 ASN A 111 -13.357 -9.854 -1.101 1.00 0.00 O ATOM 558 ND2 ASN A 111 -12.279 -11.129 0.400 1.00 0.00 N ATOM 0 H ASN A 111 -9.028 -8.745 -2.231 1.00 0.00 H new ATOM 0 HA ASN A 111 -11.759 -8.892 -2.896 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -10.414 -10.547 -1.542 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -10.379 -9.395 -0.222 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -13.150 -11.511 0.769 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -11.386 -11.426 0.793 1.00 0.00 H new ATOM 565 N LEU A 112 -10.975 -6.349 -1.080 1.00 0.00 N ATOM 566 CA LEU A 112 -11.512 -5.164 -0.413 1.00 0.00 C ATOM 567 C LEU A 112 -11.366 -3.903 -1.265 1.00 0.00 C ATOM 568 O LEU A 112 -10.931 -3.953 -2.429 1.00 0.00 O ATOM 569 CB LEU A 112 -10.835 -4.965 0.943 1.00 0.00 C ATOM 570 CG LEU A 112 -9.372 -4.539 0.884 1.00 0.00 C ATOM 571 CD1 LEU A 112 -9.263 -3.029 0.752 1.00 0.00 C ATOM 572 CD2 LEU A 112 -8.629 -5.030 2.117 1.00 0.00 C ATOM 0 H LEU A 112 -9.975 -6.312 -1.275 1.00 0.00 H new ATOM 0 HA LEU A 112 -12.578 -5.334 -0.264 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -11.393 -4.214 1.502 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -10.903 -5.897 1.505 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.912 -4.990 0.005 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -8.212 -2.742 0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -9.763 -2.707 -0.161 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -9.736 -2.554 1.611 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -7.586 -4.719 2.061 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.087 -4.606 3.011 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.681 -6.118 2.164 1.00 0.00 H new ATOM 584 N GLY A 113 -11.756 -2.772 -0.670 1.00 0.00 N ATOM 585 CA GLY A 113 -11.699 -1.499 -1.358 1.00 0.00 C ATOM 586 C GLY A 113 -12.676 -1.454 -2.510 1.00 0.00 C ATOM 587 O GLY A 113 -13.824 -1.876 -2.372 1.00 0.00 O ATOM 0 H GLY A 113 -12.112 -2.722 0.284 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -11.922 -0.694 -0.658 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -10.688 -1.328 -1.729 1.00 0.00 H new ATOM 591 N GLU A 114 -12.218 -0.977 -3.655 1.00 0.00 N ATOM 592 CA GLU A 114 -13.057 -0.923 -4.841 1.00 0.00 C ATOM 593 C GLU A 114 -12.735 -2.115 -5.731 1.00 0.00 C ATOM 594 O GLU A 114 -12.620 -1.987 -6.950 1.00 0.00 O ATOM 595 CB GLU A 114 -12.837 0.387 -5.601 1.00 0.00 C ATOM 596 CG GLU A 114 -11.371 0.733 -5.802 1.00 0.00 C ATOM 597 CD GLU A 114 -11.145 1.638 -6.998 1.00 0.00 C ATOM 598 OE1 GLU A 114 -11.761 2.723 -7.046 1.00 0.00 O1- ATOM 599 OE2 GLU A 114 -10.352 1.260 -7.887 1.00 0.00 O ATOM 0 H GLU A 114 -11.271 -0.622 -3.789 1.00 0.00 H new ATOM 0 HA GLU A 114 -14.105 -0.963 -4.543 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -13.323 0.319 -6.574 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -13.322 1.198 -5.059 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -10.990 1.221 -4.905 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -10.799 -0.186 -5.933 1.00 0.00 H new ATOM 606 N LYS A 115 -12.564 -3.276 -5.098 1.00 0.00 N ATOM 607 CA LYS A 115 -12.223 -4.497 -5.809 1.00 0.00 C ATOM 608 C LYS A 115 -10.877 -4.327 -6.501 1.00 0.00 C ATOM 609 O LYS A 115 -10.784 -4.379 -7.729 1.00 0.00 O ATOM 610 CB LYS A 115 -13.313 -4.851 -6.826 1.00 0.00 C ATOM 611 CG LYS A 115 -14.600 -5.346 -6.186 1.00 0.00 C ATOM 612 CD LYS A 115 -14.367 -6.603 -5.364 1.00 0.00 C ATOM 613 CE LYS A 115 -15.650 -7.400 -5.191 1.00 0.00 C ATOM 614 NZ LYS A 115 -16.336 -7.079 -3.908 1.00 0.00 N1+ ATOM 0 H LYS A 115 -12.658 -3.391 -4.089 1.00 0.00 H new ATOM 0 HA LYS A 115 -12.152 -5.316 -5.094 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -13.532 -3.972 -7.433 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -12.934 -5.618 -7.501 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -15.014 -4.565 -5.548 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -15.338 -5.549 -6.962 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -13.615 -7.223 -5.851 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -13.971 -6.331 -4.385 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -16.322 -7.191 -6.024 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -15.423 -8.465 -5.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -17.206 -7.643 -3.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -15.705 -7.302 -3.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -16.576 -6.067 -3.887 1.00 0.00 H new ATOM 628 N LEU A 116 -9.827 -4.104 -5.702 1.00 0.00 N ATOM 629 CA LEU A 116 -8.477 -3.905 -6.252 1.00 0.00 C ATOM 630 C LEU A 116 -8.127 -4.966 -7.300 1.00 0.00 C ATOM 631 O LEU A 116 -8.084 -6.160 -7.004 1.00 0.00 O ATOM 632 CB LEU A 116 -7.429 -3.899 -5.135 1.00 0.00 C ATOM 633 CG LEU A 116 -6.369 -2.801 -5.256 1.00 0.00 C ATOM 634 CD1 LEU A 116 -5.338 -2.927 -4.149 1.00 0.00 C ATOM 635 CD2 LEU A 116 -5.695 -2.860 -6.618 1.00 0.00 C ATOM 0 H LEU A 116 -9.882 -4.057 -4.685 1.00 0.00 H new ATOM 0 HA LEU A 116 -8.471 -2.933 -6.746 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -7.939 -3.789 -4.178 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -6.929 -4.867 -5.120 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.864 -1.835 -5.156 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.594 -2.137 -4.253 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.831 -2.836 -3.181 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -4.848 -3.898 -4.217 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -4.944 -2.073 -6.687 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -5.215 -3.831 -6.745 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -6.441 -2.719 -7.400 1.00 0.00 H new ATOM 647 N THR A 117 -7.892 -4.511 -8.528 1.00 0.00 N ATOM 648 CA THR A 117 -7.558 -5.404 -9.635 1.00 0.00 C ATOM 649 C THR A 117 -6.327 -6.248 -9.321 1.00 0.00 C ATOM 650 O THR A 117 -5.462 -5.845 -8.545 1.00 0.00 O ATOM 651 CB THR A 117 -7.320 -4.596 -10.913 1.00 0.00 C ATOM 652 OG1 THR A 117 -6.061 -3.950 -10.870 1.00 0.00 O ATOM 653 CG2 THR A 117 -8.372 -3.535 -11.158 1.00 0.00 C ATOM 0 H THR A 117 -7.927 -3.524 -8.783 1.00 0.00 H new ATOM 0 HA THR A 117 -8.402 -6.078 -9.783 1.00 0.00 H new ATOM 0 HB THR A 117 -7.365 -5.322 -11.725 1.00 0.00 H new ATOM 0 HG1 THR A 117 -6.193 -2.982 -10.794 1.00 0.00 H new ATOM 0 HG21 THR A 117 -8.142 -3.000 -12.080 1.00 0.00 H new ATOM 0 HG22 THR A 117 -9.351 -4.007 -11.247 1.00 0.00 H new ATOM 0 HG23 THR A 117 -8.382 -2.833 -10.324 1.00 0.00 H new ATOM 661 N ASP A 118 -6.259 -7.425 -9.938 1.00 0.00 N ATOM 662 CA ASP A 118 -5.140 -8.338 -9.736 1.00 0.00 C ATOM 663 C ASP A 118 -3.858 -7.791 -10.360 1.00 0.00 C ATOM 664 O ASP A 118 -2.757 -8.086 -9.895 1.00 0.00 O ATOM 665 CB ASP A 118 -5.465 -9.708 -10.334 1.00 0.00 C ATOM 666 CG ASP A 118 -4.386 -10.734 -10.052 1.00 0.00 C ATOM 667 OD1 ASP A 118 -3.267 -10.582 -10.585 1.00 0.00 O1- ATOM 668 OD2 ASP A 118 -4.662 -11.691 -9.298 1.00 0.00 O ATOM 0 H ASP A 118 -6.969 -7.769 -10.584 1.00 0.00 H new ATOM 0 HA ASP A 118 -4.979 -8.439 -8.663 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -6.413 -10.062 -9.929 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -5.595 -9.609 -11.412 1.00 0.00 H new ATOM 673 N ASP A 119 -4.006 -7.000 -11.418 1.00 0.00 N ATOM 674 CA ASP A 119 -2.856 -6.420 -12.105 1.00 0.00 C ATOM 675 C ASP A 119 -2.212 -5.315 -11.271 1.00 0.00 C ATOM 676 O ASP A 119 -0.994 -5.284 -11.101 1.00 0.00 O ATOM 677 CB ASP A 119 -3.279 -5.864 -13.467 1.00 0.00 C ATOM 678 CG ASP A 119 -3.357 -6.940 -14.531 1.00 0.00 C ATOM 679 OD1 ASP A 119 -2.290 -7.434 -14.955 1.00 0.00 O ATOM 680 OD2 ASP A 119 -4.484 -7.288 -14.942 1.00 0.00 O1- ATOM 0 H ASP A 119 -4.909 -6.746 -11.818 1.00 0.00 H new ATOM 0 HA ASP A 119 -2.120 -7.210 -12.251 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -4.251 -5.379 -13.373 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -2.569 -5.098 -13.780 1.00 0.00 H new ATOM 685 N GLU A 120 -3.037 -4.408 -10.760 1.00 0.00 N ATOM 686 CA GLU A 120 -2.547 -3.299 -9.949 1.00 0.00 C ATOM 687 C GLU A 120 -1.824 -3.803 -8.703 1.00 0.00 C ATOM 688 O GLU A 120 -0.780 -3.273 -8.323 1.00 0.00 O ATOM 689 CB GLU A 120 -3.706 -2.386 -9.546 1.00 0.00 C ATOM 690 CG GLU A 120 -3.984 -1.278 -10.550 1.00 0.00 C ATOM 691 CD GLU A 120 -5.001 -0.274 -10.042 1.00 0.00 C ATOM 692 OE1 GLU A 120 -5.868 -0.664 -9.233 1.00 0.00 O1- ATOM 693 OE2 GLU A 120 -4.930 0.902 -10.457 1.00 0.00 O ATOM 0 H GLU A 120 -4.048 -4.419 -10.893 1.00 0.00 H new ATOM 0 HA GLU A 120 -1.836 -2.733 -10.550 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -4.606 -2.988 -9.423 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -3.486 -1.940 -8.576 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -3.053 -0.761 -10.782 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -4.345 -1.717 -11.480 1.00 0.00 H new ATOM 700 N VAL A 121 -2.388 -4.824 -8.070 1.00 0.00 N ATOM 701 CA VAL A 121 -1.800 -5.396 -6.865 1.00 0.00 C ATOM 702 C VAL A 121 -0.486 -6.108 -7.176 1.00 0.00 C ATOM 703 O VAL A 121 0.424 -6.132 -6.348 1.00 0.00 O ATOM 704 CB VAL A 121 -2.771 -6.382 -6.182 1.00 0.00 C ATOM 705 CG1 VAL A 121 -3.137 -7.512 -7.131 1.00 0.00 C ATOM 706 CG2 VAL A 121 -2.180 -6.928 -4.882 1.00 0.00 C ATOM 0 H VAL A 121 -3.253 -5.273 -8.371 1.00 0.00 H new ATOM 0 HA VAL A 121 -1.601 -4.569 -6.183 1.00 0.00 H new ATOM 0 HB VAL A 121 -3.682 -5.840 -5.928 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -3.822 -8.198 -6.633 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -3.617 -7.100 -8.019 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -2.234 -8.049 -7.423 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -2.887 -7.620 -4.423 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -1.248 -7.451 -5.097 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -1.983 -6.103 -4.197 1.00 0.00 H new ATOM 716 N ASP A 122 -0.399 -6.692 -8.366 1.00 0.00 N ATOM 717 CA ASP A 122 0.799 -7.413 -8.780 1.00 0.00 C ATOM 718 C ASP A 122 1.976 -6.466 -9.004 1.00 0.00 C ATOM 719 O ASP A 122 3.112 -6.779 -8.650 1.00 0.00 O ATOM 720 CB ASP A 122 0.519 -8.207 -10.059 1.00 0.00 C ATOM 721 CG ASP A 122 0.059 -9.622 -9.771 1.00 0.00 C ATOM 722 OD1 ASP A 122 0.557 -10.222 -8.795 1.00 0.00 O ATOM 723 OD2 ASP A 122 -0.800 -10.132 -10.521 1.00 0.00 O1- ATOM 0 H ASP A 122 -1.145 -6.680 -9.062 1.00 0.00 H new ATOM 0 HA ASP A 122 1.068 -8.099 -7.977 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -0.243 -7.692 -10.644 1.00 0.00 H new ATOM 0 HB3 ASP A 122 1.422 -8.238 -10.669 1.00 0.00 H new ATOM 728 N GLU A 123 1.700 -5.311 -9.599 1.00 0.00 N ATOM 729 CA GLU A 123 2.740 -4.326 -9.878 1.00 0.00 C ATOM 730 C GLU A 123 3.337 -3.765 -8.591 1.00 0.00 C ATOM 731 O GLU A 123 4.555 -3.752 -8.414 1.00 0.00 O ATOM 732 CB GLU A 123 2.172 -3.185 -10.727 1.00 0.00 C ATOM 733 CG GLU A 123 3.144 -2.660 -11.770 1.00 0.00 C ATOM 734 CD GLU A 123 4.465 -2.223 -11.168 1.00 0.00 C ATOM 735 OE1 GLU A 123 4.458 -1.709 -10.029 1.00 0.00 O1- ATOM 736 OE2 GLU A 123 5.507 -2.392 -11.836 1.00 0.00 O ATOM 0 H GLU A 123 0.765 -5.033 -9.898 1.00 0.00 H new ATOM 0 HA GLU A 123 3.535 -4.829 -10.429 1.00 0.00 H new ATOM 0 HB2 GLU A 123 1.268 -3.531 -11.227 1.00 0.00 H new ATOM 0 HB3 GLU A 123 1.879 -2.366 -10.070 1.00 0.00 H new ATOM 0 HG2 GLU A 123 3.327 -3.435 -12.514 1.00 0.00 H new ATOM 0 HG3 GLU A 123 2.691 -1.818 -12.292 1.00 0.00 H new ATOM 743 N MET A 124 2.472 -3.292 -7.703 1.00 0.00 N ATOM 744 CA MET A 124 2.910 -2.714 -6.437 1.00 0.00 C ATOM 745 C MET A 124 3.689 -3.720 -5.591 1.00 0.00 C ATOM 746 O MET A 124 4.781 -3.420 -5.109 1.00 0.00 O ATOM 747 CB MET A 124 1.708 -2.187 -5.654 1.00 0.00 C ATOM 748 CG MET A 124 0.634 -3.229 -5.400 1.00 0.00 C ATOM 749 SD MET A 124 -0.861 -2.517 -4.690 1.00 0.00 S ATOM 750 CE MET A 124 -1.252 -3.738 -3.439 1.00 0.00 C ATOM 0 H MET A 124 1.461 -3.297 -7.836 1.00 0.00 H new ATOM 0 HA MET A 124 3.582 -1.887 -6.668 1.00 0.00 H new ATOM 0 HB2 MET A 124 2.054 -1.795 -4.697 1.00 0.00 H new ATOM 0 HB3 MET A 124 1.269 -1.352 -6.200 1.00 0.00 H new ATOM 0 HG2 MET A 124 0.386 -3.727 -6.337 1.00 0.00 H new ATOM 0 HG3 MET A 124 1.024 -3.992 -4.727 1.00 0.00 H new ATOM 0 HE1 MET A 124 -2.310 -3.673 -3.185 1.00 0.00 H new ATOM 0 HE2 MET A 124 -1.032 -4.735 -3.822 1.00 0.00 H new ATOM 0 HE3 MET A 124 -0.653 -3.551 -2.548 1.00 0.00 H new ATOM 760 N ILE A 125 3.123 -4.908 -5.404 1.00 0.00 N ATOM 761 CA ILE A 125 3.772 -5.943 -4.605 1.00 0.00 C ATOM 762 C ILE A 125 5.146 -6.311 -5.168 1.00 0.00 C ATOM 763 O ILE A 125 6.031 -6.747 -4.432 1.00 0.00 O ATOM 764 CB ILE A 125 2.893 -7.213 -4.502 1.00 0.00 C ATOM 765 CG1 ILE A 125 2.757 -7.898 -5.871 1.00 0.00 C ATOM 766 CG2 ILE A 125 1.522 -6.857 -3.932 1.00 0.00 C ATOM 767 CD1 ILE A 125 1.854 -9.113 -5.859 1.00 0.00 C ATOM 0 H ILE A 125 2.220 -5.178 -5.793 1.00 0.00 H new ATOM 0 HA ILE A 125 3.907 -5.529 -3.606 1.00 0.00 H new ATOM 0 HB ILE A 125 3.378 -7.917 -3.826 1.00 0.00 H new ATOM 0 HG12 ILE A 125 2.370 -7.177 -6.591 1.00 0.00 H new ATOM 0 HG13 ILE A 125 3.747 -8.196 -6.218 1.00 0.00 H new ATOM 0 HG21 ILE A 125 0.911 -7.757 -3.864 1.00 0.00 H new ATOM 0 HG22 ILE A 125 1.642 -6.424 -2.939 1.00 0.00 H new ATOM 0 HG23 ILE A 125 1.032 -6.135 -4.586 1.00 0.00 H new ATOM 0 HD11 ILE A 125 1.808 -9.542 -6.860 1.00 0.00 H new ATOM 0 HD12 ILE A 125 2.250 -9.854 -5.165 1.00 0.00 H new ATOM 0 HD13 ILE A 125 0.853 -8.819 -5.544 1.00 0.00 H new ATOM 779 N ARG A 126 5.314 -6.135 -6.474 1.00 0.00 N ATOM 780 CA ARG A 126 6.577 -6.450 -7.132 1.00 0.00 C ATOM 781 C ARG A 126 7.642 -5.415 -6.785 1.00 0.00 C ATOM 782 O ARG A 126 8.792 -5.757 -6.514 1.00 0.00 O ATOM 783 CB ARG A 126 6.384 -6.509 -8.649 1.00 0.00 C ATOM 784 CG ARG A 126 7.224 -7.581 -9.329 1.00 0.00 C ATOM 785 CD ARG A 126 6.374 -8.757 -9.790 1.00 0.00 C ATOM 786 NE ARG A 126 6.017 -9.642 -8.683 1.00 0.00 N ATOM 787 CZ ARG A 126 6.822 -10.584 -8.190 1.00 0.00 C ATOM 788 NH1 ARG A 126 8.037 -10.769 -8.695 1.00 0.00 N1+ ATOM 789 NH2 ARG A 126 6.410 -11.343 -7.183 1.00 0.00 N ATOM 0 H ARG A 126 4.592 -5.776 -7.098 1.00 0.00 H new ATOM 0 HA ARG A 126 6.911 -7.425 -6.776 1.00 0.00 H new ATOM 0 HB2 ARG A 126 5.332 -6.692 -8.866 1.00 0.00 H new ATOM 0 HB3 ARG A 126 6.634 -5.538 -9.077 1.00 0.00 H new ATOM 0 HG2 ARG A 126 7.741 -7.149 -10.185 1.00 0.00 H new ATOM 0 HG3 ARG A 126 7.990 -7.935 -8.639 1.00 0.00 H new ATOM 0 HD2 ARG A 126 5.466 -8.384 -10.263 1.00 0.00 H new ATOM 0 HD3 ARG A 126 6.918 -9.323 -10.546 1.00 0.00 H new ATOM 0 HE ARG A 126 5.095 -9.532 -8.261 1.00 0.00 H new ATOM 0 HH11 ARG A 126 8.362 -10.188 -9.467 1.00 0.00 H new ATOM 0 HH12 ARG A 126 8.644 -11.492 -8.310 1.00 0.00 H new ATOM 0 HH21 ARG A 126 5.480 -11.205 -6.788 1.00 0.00 H new ATOM 0 HH22 ARG A 126 7.023 -12.064 -6.804 1.00 0.00 H new ATOM 803 N GLU A 127 7.245 -4.148 -6.796 1.00 0.00 N ATOM 804 CA GLU A 127 8.157 -3.055 -6.484 1.00 0.00 C ATOM 805 C GLU A 127 8.292 -2.838 -4.972 1.00 0.00 C ATOM 806 O GLU A 127 9.086 -2.005 -4.534 1.00 0.00 O ATOM 807 CB GLU A 127 7.674 -1.765 -7.149 1.00 0.00 C ATOM 808 CG GLU A 127 8.800 -0.890 -7.675 1.00 0.00 C ATOM 809 CD GLU A 127 9.420 -1.439 -8.944 1.00 0.00 C ATOM 810 OE1 GLU A 127 9.985 -2.552 -8.896 1.00 0.00 O ATOM 811 OE2 GLU A 127 9.341 -0.756 -9.987 1.00 0.00 O1- ATOM 0 H GLU A 127 6.295 -3.852 -7.018 1.00 0.00 H new ATOM 0 HA GLU A 127 9.139 -3.325 -6.872 1.00 0.00 H new ATOM 0 HB2 GLU A 127 7.008 -2.019 -7.973 1.00 0.00 H new ATOM 0 HB3 GLU A 127 7.087 -1.194 -6.430 1.00 0.00 H new ATOM 0 HG2 GLU A 127 8.417 0.112 -7.866 1.00 0.00 H new ATOM 0 HG3 GLU A 127 9.570 -0.796 -6.910 1.00 0.00 H new ATOM 818 N ALA A 128 7.516 -3.575 -4.174 1.00 0.00 N ATOM 819 CA ALA A 128 7.569 -3.428 -2.725 1.00 0.00 C ATOM 820 C ALA A 128 8.877 -3.965 -2.152 1.00 0.00 C ATOM 821 O ALA A 128 9.567 -3.268 -1.409 1.00 0.00 O ATOM 822 CB ALA A 128 6.381 -4.133 -2.089 1.00 0.00 C ATOM 0 H ALA A 128 6.850 -4.273 -4.507 1.00 0.00 H new ATOM 0 HA ALA A 128 7.523 -2.364 -2.492 1.00 0.00 H new ATOM 0 HB1 ALA A 128 6.427 -4.019 -1.006 1.00 0.00 H new ATOM 0 HB2 ALA A 128 5.455 -3.694 -2.461 1.00 0.00 H new ATOM 0 HB3 ALA A 128 6.408 -5.193 -2.344 1.00 0.00 H new ATOM 828 N ASP A 129 9.221 -5.205 -2.501 1.00 0.00 N ATOM 829 CA ASP A 129 10.453 -5.824 -2.018 1.00 0.00 C ATOM 830 C ASP A 129 10.547 -7.263 -2.503 1.00 0.00 C ATOM 831 O ASP A 129 11.448 -7.618 -3.262 1.00 0.00 O ATOM 832 CB ASP A 129 10.517 -5.786 -0.484 1.00 0.00 C ATOM 833 CG ASP A 129 11.878 -5.357 0.027 1.00 0.00 C ATOM 834 OD1 ASP A 129 12.895 -5.785 -0.558 1.00 0.00 O1- ATOM 835 OD2 ASP A 129 11.928 -4.593 1.015 1.00 0.00 O ATOM 0 H ASP A 129 8.664 -5.799 -3.115 1.00 0.00 H new ATOM 0 HA ASP A 129 11.295 -5.258 -2.416 1.00 0.00 H new ATOM 0 HB2 ASP A 129 9.758 -5.100 -0.108 1.00 0.00 H new ATOM 0 HB3 ASP A 129 10.278 -6.773 -0.089 1.00 0.00 H new ATOM 915 N ILE A 136 7.624 -8.988 2.410 1.00 0.00 N ATOM 916 CA ILE A 136 7.628 -7.653 1.825 1.00 0.00 C ATOM 917 C ILE A 136 7.595 -6.569 2.896 1.00 0.00 C ATOM 918 O ILE A 136 6.600 -6.410 3.602 1.00 0.00 O ATOM 919 CB ILE A 136 6.428 -7.449 0.881 1.00 0.00 C ATOM 920 CG1 ILE A 136 6.289 -8.634 -0.076 1.00 0.00 C ATOM 921 CG2 ILE A 136 6.583 -6.153 0.105 1.00 0.00 C ATOM 922 CD1 ILE A 136 4.975 -8.651 -0.827 1.00 0.00 C ATOM 0 HA ILE A 136 8.555 -7.570 1.258 1.00 0.00 H new ATOM 0 HB ILE A 136 5.521 -7.387 1.482 1.00 0.00 H new ATOM 0 HG12 ILE A 136 7.109 -8.609 -0.794 1.00 0.00 H new ATOM 0 HG13 ILE A 136 6.388 -9.561 0.489 1.00 0.00 H new ATOM 0 HG21 ILE A 136 5.728 -6.022 -0.558 1.00 0.00 H new ATOM 0 HG22 ILE A 136 6.634 -5.316 0.801 1.00 0.00 H new ATOM 0 HG23 ILE A 136 7.498 -6.190 -0.486 1.00 0.00 H new ATOM 0 HD11 ILE A 136 4.944 -9.518 -1.487 1.00 0.00 H new ATOM 0 HD12 ILE A 136 4.150 -8.707 -0.116 1.00 0.00 H new ATOM 0 HD13 ILE A 136 4.883 -7.741 -1.419 1.00 0.00 H new ATOM 934 N ASN A 137 8.684 -5.816 3.003 1.00 0.00 N ATOM 935 CA ASN A 137 8.771 -4.737 3.979 1.00 0.00 C ATOM 936 C ASN A 137 8.037 -3.501 3.468 1.00 0.00 C ATOM 937 O ASN A 137 8.306 -3.020 2.368 1.00 0.00 O ATOM 938 CB ASN A 137 10.234 -4.396 4.268 1.00 0.00 C ATOM 939 CG ASN A 137 10.418 -3.733 5.618 1.00 0.00 C ATOM 940 OD1 ASN A 137 10.212 -2.528 5.764 1.00 0.00 O ATOM 941 ND2 ASN A 137 10.808 -4.518 6.615 1.00 0.00 N ATOM 0 H ASN A 137 9.517 -5.933 2.427 1.00 0.00 H new ATOM 0 HA ASN A 137 8.300 -5.069 4.904 1.00 0.00 H new ATOM 0 HB2 ASN A 137 10.831 -5.307 4.230 1.00 0.00 H new ATOM 0 HB3 ASN A 137 10.611 -3.735 3.488 1.00 0.00 H new ATOM 0 HD21 ASN A 137 10.948 -4.127 7.547 1.00 0.00 H new ATOM 0 HD22 ASN A 137 10.967 -5.512 6.449 1.00 0.00 H new ATOM 948 N TYR A 138 7.100 -2.996 4.266 1.00 0.00 N ATOM 949 CA TYR A 138 6.324 -1.820 3.877 1.00 0.00 C ATOM 950 C TYR A 138 7.118 -0.519 4.029 1.00 0.00 C ATOM 951 O TYR A 138 6.606 0.554 3.715 1.00 0.00 O ATOM 952 CB TYR A 138 5.027 -1.736 4.684 1.00 0.00 C ATOM 953 CG TYR A 138 5.211 -1.967 6.162 1.00 0.00 C ATOM 954 CD1 TYR A 138 6.016 -1.128 6.920 1.00 0.00 C ATOM 955 CD2 TYR A 138 4.579 -3.024 6.801 1.00 0.00 C ATOM 956 CE1 TYR A 138 6.186 -1.335 8.273 1.00 0.00 C ATOM 957 CE2 TYR A 138 4.743 -3.239 8.154 1.00 0.00 C ATOM 958 CZ TYR A 138 5.547 -2.392 8.887 1.00 0.00 C ATOM 959 OH TYR A 138 5.714 -2.603 10.237 1.00 0.00 O ATOM 0 H TYR A 138 6.860 -3.379 5.180 1.00 0.00 H new ATOM 0 HA TYR A 138 6.085 -1.938 2.820 1.00 0.00 H new ATOM 0 HB2 TYR A 138 4.580 -0.754 4.533 1.00 0.00 H new ATOM 0 HB3 TYR A 138 4.321 -2.471 4.296 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.518 -0.299 6.442 1.00 0.00 H new ATOM 0 HD2 TYR A 138 3.948 -3.689 6.230 1.00 0.00 H new ATOM 0 HE1 TYR A 138 6.816 -0.673 8.849 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.244 -4.067 8.636 1.00 0.00 H new ATOM 0 HH TYR A 138 4.907 -3.019 10.605 1.00 0.00 H new ATOM 969 N GLU A 139 8.363 -0.605 4.498 1.00 0.00 N ATOM 970 CA GLU A 139 9.195 0.581 4.667 1.00 0.00 C ATOM 971 C GLU A 139 9.935 0.896 3.371 1.00 0.00 C ATOM 972 O GLU A 139 10.046 2.055 2.971 1.00 0.00 O ATOM 973 CB GLU A 139 10.195 0.372 5.806 1.00 0.00 C ATOM 974 CG GLU A 139 10.572 1.655 6.529 1.00 0.00 C ATOM 975 CD GLU A 139 9.399 2.274 7.264 1.00 0.00 C ATOM 976 OE1 GLU A 139 8.642 3.042 6.635 1.00 0.00 O ATOM 977 OE2 GLU A 139 9.239 1.990 8.470 1.00 0.00 O1- ATOM 0 H GLU A 139 8.814 -1.480 4.766 1.00 0.00 H new ATOM 0 HA GLU A 139 8.551 1.424 4.918 1.00 0.00 H new ATOM 0 HB2 GLU A 139 9.772 -0.329 6.525 1.00 0.00 H new ATOM 0 HB3 GLU A 139 11.098 -0.088 5.405 1.00 0.00 H new ATOM 0 HG2 GLU A 139 11.372 1.446 7.239 1.00 0.00 H new ATOM 0 HG3 GLU A 139 10.964 2.372 5.808 1.00 0.00 H new ATOM 984 N GLU A 140 10.422 -0.149 2.711 1.00 0.00 N ATOM 985 CA GLU A 140 11.132 0.003 1.449 1.00 0.00 C ATOM 986 C GLU A 140 10.133 0.266 0.329 1.00 0.00 C ATOM 987 O GLU A 140 10.398 1.038 -0.593 1.00 0.00 O ATOM 988 CB GLU A 140 11.961 -1.252 1.149 1.00 0.00 C ATOM 989 CG GLU A 140 13.449 -0.976 1.006 1.00 0.00 C ATOM 990 CD GLU A 140 14.113 -1.876 -0.016 1.00 0.00 C ATOM 991 OE1 GLU A 140 14.063 -1.545 -1.220 1.00 0.00 O1- ATOM 992 OE2 GLU A 140 14.682 -2.913 0.385 1.00 0.00 O ATOM 0 H GLU A 140 10.337 -1.114 3.032 1.00 0.00 H new ATOM 0 HA GLU A 140 11.813 0.851 1.521 1.00 0.00 H new ATOM 0 HB2 GLU A 140 11.809 -1.978 1.948 1.00 0.00 H new ATOM 0 HB3 GLU A 140 11.594 -1.709 0.230 1.00 0.00 H new ATOM 0 HG2 GLU A 140 13.596 0.065 0.718 1.00 0.00 H new ATOM 0 HG3 GLU A 140 13.934 -1.110 1.973 1.00 0.00 H new ATOM 999 N PHE A 141 8.975 -0.381 0.429 1.00 0.00 N ATOM 1000 CA PHE A 141 7.917 -0.221 -0.557 1.00 0.00 C ATOM 1001 C PHE A 141 7.389 1.211 -0.525 1.00 0.00 C ATOM 1002 O PHE A 141 7.261 1.857 -1.563 1.00 0.00 O ATOM 1003 CB PHE A 141 6.792 -1.226 -0.282 1.00 0.00 C ATOM 1004 CG PHE A 141 5.562 -1.033 -1.129 1.00 0.00 C ATOM 1005 CD1 PHE A 141 5.665 -0.694 -2.470 1.00 0.00 C ATOM 1006 CD2 PHE A 141 4.304 -1.184 -0.574 1.00 0.00 C ATOM 1007 CE1 PHE A 141 4.533 -0.508 -3.239 1.00 0.00 C ATOM 1008 CE2 PHE A 141 3.169 -1.001 -1.339 1.00 0.00 C ATOM 1009 CZ PHE A 141 3.283 -0.662 -2.672 1.00 0.00 C ATOM 0 H PHE A 141 8.748 -1.023 1.188 1.00 0.00 H new ATOM 0 HA PHE A 141 8.316 -0.417 -1.552 1.00 0.00 H new ATOM 0 HB2 PHE A 141 7.175 -2.234 -0.444 1.00 0.00 H new ATOM 0 HB3 PHE A 141 6.509 -1.157 0.768 1.00 0.00 H new ATOM 0 HD1 PHE A 141 6.641 -0.574 -2.917 1.00 0.00 H new ATOM 0 HD2 PHE A 141 4.208 -1.448 0.469 1.00 0.00 H new ATOM 0 HE1 PHE A 141 4.625 -0.243 -4.282 1.00 0.00 H new ATOM 0 HE2 PHE A 141 2.192 -1.123 -0.894 1.00 0.00 H new ATOM 0 HZ PHE A 141 2.396 -0.517 -3.271 1.00 0.00 H new ATOM 1019 N VAL A 142 7.098 1.706 0.673 1.00 0.00 N ATOM 1020 CA VAL A 142 6.604 3.067 0.826 1.00 0.00 C ATOM 1021 C VAL A 142 7.701 4.064 0.470 1.00 0.00 C ATOM 1022 O VAL A 142 7.434 5.120 -0.102 1.00 0.00 O ATOM 1023 CB VAL A 142 6.107 3.342 2.263 1.00 0.00 C ATOM 1024 CG1 VAL A 142 7.236 3.171 3.271 1.00 0.00 C ATOM 1025 CG2 VAL A 142 5.504 4.736 2.367 1.00 0.00 C ATOM 0 H VAL A 142 7.195 1.188 1.546 1.00 0.00 H new ATOM 0 HA VAL A 142 5.759 3.185 0.148 1.00 0.00 H new ATOM 0 HB VAL A 142 5.330 2.614 2.496 1.00 0.00 H new ATOM 0 HG11 VAL A 142 6.861 3.370 4.275 1.00 0.00 H new ATOM 0 HG12 VAL A 142 7.617 2.151 3.222 1.00 0.00 H new ATOM 0 HG13 VAL A 142 8.040 3.870 3.039 1.00 0.00 H new ATOM 0 HG21 VAL A 142 5.161 4.909 3.387 1.00 0.00 H new ATOM 0 HG22 VAL A 142 6.258 5.479 2.107 1.00 0.00 H new ATOM 0 HG23 VAL A 142 4.661 4.820 1.681 1.00 0.00 H new ATOM 1035 N ARG A 143 8.938 3.717 0.817 1.00 0.00 N ATOM 1036 CA ARG A 143 10.077 4.581 0.538 1.00 0.00 C ATOM 1037 C ARG A 143 10.211 4.848 -0.959 1.00 0.00 C ATOM 1038 O ARG A 143 10.286 5.995 -1.385 1.00 0.00 O ATOM 1039 CB ARG A 143 11.364 3.949 1.079 1.00 0.00 C ATOM 1040 CG ARG A 143 11.803 4.520 2.418 1.00 0.00 C ATOM 1041 CD ARG A 143 13.165 3.987 2.833 1.00 0.00 C ATOM 1042 NE ARG A 143 13.053 2.822 3.708 1.00 0.00 N ATOM 1043 CZ ARG A 143 14.070 2.308 4.401 1.00 0.00 C ATOM 1044 NH1 ARG A 143 15.282 2.848 4.329 1.00 0.00 N1+ ATOM 1045 NH2 ARG A 143 13.873 1.246 5.172 1.00 0.00 N ATOM 0 H ARG A 143 9.175 2.845 1.291 1.00 0.00 H new ATOM 0 HA ARG A 143 9.910 5.535 1.039 1.00 0.00 H new ATOM 0 HB2 ARG A 143 11.216 2.874 1.182 1.00 0.00 H new ATOM 0 HB3 ARG A 143 12.163 4.092 0.352 1.00 0.00 H new ATOM 0 HG2 ARG A 143 11.841 5.608 2.356 1.00 0.00 H new ATOM 0 HG3 ARG A 143 11.066 4.270 3.181 1.00 0.00 H new ATOM 0 HD2 ARG A 143 13.736 3.719 1.944 1.00 0.00 H new ATOM 0 HD3 ARG A 143 13.721 4.773 3.344 1.00 0.00 H new ATOM 0 HE ARG A 143 12.141 2.374 3.794 1.00 0.00 H new ATOM 0 HH11 ARG A 143 15.442 3.665 3.739 1.00 0.00 H new ATOM 0 HH12 ARG A 143 16.052 2.446 4.864 1.00 0.00 H new ATOM 0 HH21 ARG A 143 12.946 0.825 5.233 1.00 0.00 H new ATOM 0 HH22 ARG A 143 14.649 0.851 5.703 1.00 0.00 H new ATOM 1059 N MET A 144 10.247 3.782 -1.750 1.00 0.00 N ATOM 1060 CA MET A 144 10.380 3.909 -3.199 1.00 0.00 C ATOM 1061 C MET A 144 9.097 4.439 -3.838 1.00 0.00 C ATOM 1062 O MET A 144 9.143 5.139 -4.850 1.00 0.00 O ATOM 1063 CB MET A 144 10.766 2.564 -3.823 1.00 0.00 C ATOM 1064 CG MET A 144 9.684 1.502 -3.708 1.00 0.00 C ATOM 1065 SD MET A 144 8.840 1.187 -5.270 1.00 0.00 S ATOM 1066 CE MET A 144 7.151 1.584 -4.826 1.00 0.00 C ATOM 0 H MET A 144 10.186 2.821 -1.414 1.00 0.00 H new ATOM 0 HA MET A 144 11.173 4.631 -3.394 1.00 0.00 H new ATOM 0 HB2 MET A 144 11.002 2.717 -4.876 1.00 0.00 H new ATOM 0 HB3 MET A 144 11.674 2.198 -3.343 1.00 0.00 H new ATOM 0 HG2 MET A 144 10.129 0.574 -3.348 1.00 0.00 H new ATOM 0 HG3 MET A 144 8.953 1.815 -2.963 1.00 0.00 H new ATOM 0 HE1 MET A 144 6.491 0.780 -5.150 1.00 0.00 H new ATOM 0 HE2 MET A 144 7.077 1.701 -3.745 1.00 0.00 H new ATOM 0 HE3 MET A 144 6.856 2.514 -5.312 1.00 0.00 H new ATOM 1076 N MET A 145 7.953 4.104 -3.249 1.00 0.00 N ATOM 1077 CA MET A 145 6.664 4.550 -3.774 1.00 0.00 C ATOM 1078 C MET A 145 6.590 6.074 -3.835 1.00 0.00 C ATOM 1079 O MET A 145 6.045 6.641 -4.781 1.00 0.00 O ATOM 1080 CB MET A 145 5.524 4.010 -2.912 1.00 0.00 C ATOM 1081 CG MET A 145 4.154 4.145 -3.563 1.00 0.00 C ATOM 1082 SD MET A 145 3.317 2.561 -3.777 1.00 0.00 S ATOM 1083 CE MET A 145 2.735 2.269 -2.111 1.00 0.00 C ATOM 0 H MET A 145 7.891 3.527 -2.410 1.00 0.00 H new ATOM 0 HA MET A 145 6.564 4.161 -4.787 1.00 0.00 H new ATOM 0 HB2 MET A 145 5.711 2.959 -2.693 1.00 0.00 H new ATOM 0 HB3 MET A 145 5.518 4.538 -1.959 1.00 0.00 H new ATOM 0 HG2 MET A 145 3.531 4.800 -2.954 1.00 0.00 H new ATOM 0 HG3 MET A 145 4.265 4.625 -4.535 1.00 0.00 H new ATOM 0 HE1 MET A 145 1.932 1.532 -2.130 1.00 0.00 H new ATOM 0 HE2 MET A 145 3.556 1.896 -1.499 1.00 0.00 H new ATOM 0 HE3 MET A 145 2.361 3.201 -1.687 1.00 0.00 H new ATOM 1093 N VAL A 146 7.137 6.729 -2.817 1.00 0.00 N ATOM 1094 CA VAL A 146 7.128 8.186 -2.752 1.00 0.00 C ATOM 1095 C VAL A 146 8.499 8.767 -3.091 1.00 0.00 C ATOM 1096 O VAL A 146 8.601 9.884 -3.599 1.00 0.00 O ATOM 1097 CB VAL A 146 6.705 8.684 -1.356 1.00 0.00 C ATOM 1098 CG1 VAL A 146 5.202 8.530 -1.169 1.00 0.00 C ATOM 1099 CG2 VAL A 146 7.469 7.944 -0.264 1.00 0.00 C ATOM 0 H VAL A 146 7.592 6.274 -2.026 1.00 0.00 H new ATOM 0 HA VAL A 146 6.402 8.527 -3.490 1.00 0.00 H new ATOM 0 HB VAL A 146 6.951 9.743 -1.279 1.00 0.00 H new ATOM 0 HG11 VAL A 146 4.920 8.886 -0.178 1.00 0.00 H new ATOM 0 HG12 VAL A 146 4.679 9.114 -1.927 1.00 0.00 H new ATOM 0 HG13 VAL A 146 4.929 7.479 -1.268 1.00 0.00 H new ATOM 0 HG21 VAL A 146 7.155 8.311 0.713 1.00 0.00 H new ATOM 0 HG22 VAL A 146 7.261 6.876 -0.334 1.00 0.00 H new ATOM 0 HG23 VAL A 146 8.538 8.114 -0.389 1.00 0.00 H new ATOM 1231 N GLU B1905 -9.623 -3.456 9.842 1.00 0.00 N ATOM 1232 CA GLU B1905 -8.701 -3.985 8.843 1.00 0.00 C ATOM 1233 C GLU B1905 -9.022 -3.458 7.447 1.00 0.00 C ATOM 1234 O GLU B1905 -8.156 -2.907 6.769 1.00 0.00 O ATOM 1235 CB GLU B1905 -8.746 -5.514 8.842 1.00 0.00 C ATOM 1236 CG GLU B1905 -8.049 -6.145 10.036 1.00 0.00 C ATOM 1237 CD GLU B1905 -6.650 -6.626 9.705 1.00 0.00 C ATOM 1238 OE1 GLU B1905 -5.777 -5.775 9.433 1.00 0.00 O1- ATOM 1239 OE2 GLU B1905 -6.427 -7.856 9.720 1.00 0.00 O ATOM 0 HA GLU B1905 -7.698 -3.650 9.108 1.00 0.00 H new ATOM 0 HB2 GLU B1905 -9.787 -5.838 8.826 1.00 0.00 H new ATOM 0 HB3 GLU B1905 -8.284 -5.882 7.926 1.00 0.00 H new ATOM 0 HG2 GLU B1905 -7.997 -5.419 10.848 1.00 0.00 H new ATOM 0 HG3 GLU B1905 -8.643 -6.985 10.397 1.00 0.00 H new ATOM 1246 N GLU B1906 -10.267 -3.641 7.017 1.00 0.00 N ATOM 1247 CA GLU B1906 -10.690 -3.192 5.692 1.00 0.00 C ATOM 1248 C GLU B1906 -10.495 -1.687 5.529 1.00 0.00 C ATOM 1249 O GLU B1906 -10.119 -1.217 4.456 1.00 0.00 O ATOM 1250 CB GLU B1906 -12.154 -3.560 5.435 1.00 0.00 C ATOM 1251 CG GLU B1906 -12.537 -4.948 5.923 1.00 0.00 C ATOM 1252 CD GLU B1906 -13.279 -4.916 7.245 1.00 0.00 C ATOM 1253 OE1 GLU B1906 -14.495 -4.628 7.236 1.00 0.00 O ATOM 1254 OE2 GLU B1906 -12.646 -5.180 8.289 1.00 0.00 O1- ATOM 0 H GLU B1906 -10.999 -4.095 7.563 1.00 0.00 H new ATOM 0 HA GLU B1906 -10.065 -3.701 4.959 1.00 0.00 H new ATOM 0 HB2 GLU B1906 -12.794 -2.825 5.923 1.00 0.00 H new ATOM 0 HB3 GLU B1906 -12.352 -3.495 4.365 1.00 0.00 H new ATOM 0 HG2 GLU B1906 -13.160 -5.434 5.172 1.00 0.00 H new ATOM 0 HG3 GLU B1906 -11.637 -5.553 6.030 1.00 0.00 H new ATOM 1261 N VAL B1907 -10.751 -0.934 6.596 1.00 0.00 N ATOM 1262 CA VAL B1907 -10.598 0.518 6.559 1.00 0.00 C ATOM 1263 C VAL B1907 -9.167 0.904 6.197 1.00 0.00 C ATOM 1264 O VAL B1907 -8.927 1.551 5.178 1.00 0.00 O ATOM 1265 CB VAL B1907 -10.971 1.159 7.911 1.00 0.00 C ATOM 1266 CG1 VAL B1907 -10.938 2.677 7.815 1.00 0.00 C ATOM 1267 CG2 VAL B1907 -12.340 0.677 8.366 1.00 0.00 C ATOM 0 H VAL B1907 -11.064 -1.303 7.494 1.00 0.00 H new ATOM 0 HA VAL B1907 -11.278 0.892 5.794 1.00 0.00 H new ATOM 0 HB VAL B1907 -10.234 0.852 8.653 1.00 0.00 H new ATOM 0 HG11 VAL B1907 -11.204 3.108 8.780 1.00 0.00 H new ATOM 0 HG12 VAL B1907 -9.936 3.002 7.536 1.00 0.00 H new ATOM 0 HG13 VAL B1907 -11.650 3.009 7.060 1.00 0.00 H new ATOM 0 HG21 VAL B1907 -12.589 1.138 9.322 1.00 0.00 H new ATOM 0 HG22 VAL B1907 -13.088 0.954 7.624 1.00 0.00 H new ATOM 0 HG23 VAL B1907 -12.325 -0.407 8.479 1.00 0.00 H new ATOM 1277 N SER B1908 -8.215 0.491 7.029 1.00 0.00 N ATOM 1278 CA SER B1908 -6.805 0.785 6.783 1.00 0.00 C ATOM 1279 C SER B1908 -6.375 0.301 5.395 1.00 0.00 C ATOM 1280 O SER B1908 -5.417 0.815 4.814 1.00 0.00 O ATOM 1281 CB SER B1908 -5.936 0.128 7.857 1.00 0.00 C ATOM 1282 OG SER B1908 -5.703 1.012 8.940 1.00 0.00 O ATOM 0 H SER B1908 -8.393 -0.047 7.877 1.00 0.00 H new ATOM 0 HA SER B1908 -6.672 1.866 6.824 1.00 0.00 H new ATOM 0 HB2 SER B1908 -6.424 -0.776 8.221 1.00 0.00 H new ATOM 0 HB3 SER B1908 -4.984 -0.177 7.422 1.00 0.00 H new ATOM 0 HG SER B1908 -6.311 0.793 9.677 1.00 0.00 H new ATOM 1288 N ALA B1909 -7.091 -0.690 4.869 1.00 0.00 N ATOM 1289 CA ALA B1909 -6.783 -1.240 3.558 1.00 0.00 C ATOM 1290 C ALA B1909 -7.301 -0.343 2.434 1.00 0.00 C ATOM 1291 O ALA B1909 -6.741 -0.332 1.338 1.00 0.00 O ATOM 1292 CB ALA B1909 -7.359 -2.641 3.430 1.00 0.00 C ATOM 0 H ALA B1909 -7.888 -1.126 5.333 1.00 0.00 H new ATOM 0 HA ALA B1909 -5.698 -1.291 3.463 1.00 0.00 H new ATOM 0 HB1 ALA B1909 -7.123 -3.043 2.445 1.00 0.00 H new ATOM 0 HB2 ALA B1909 -6.927 -3.283 4.197 1.00 0.00 H new ATOM 0 HB3 ALA B1909 -8.441 -2.602 3.556 1.00 0.00 H new ATOM 1298 N ILE B1910 -8.369 0.409 2.700 1.00 0.00 N ATOM 1299 CA ILE B1910 -8.930 1.294 1.686 1.00 0.00 C ATOM 1300 C ILE B1910 -8.047 2.532 1.496 1.00 0.00 C ATOM 1301 O ILE B1910 -7.892 3.030 0.380 1.00 0.00 O ATOM 1302 CB ILE B1910 -10.403 1.689 2.003 1.00 0.00 C ATOM 1303 CG1 ILE B1910 -11.116 2.148 0.726 1.00 0.00 C ATOM 1304 CG2 ILE B1910 -10.499 2.762 3.088 1.00 0.00 C ATOM 1305 CD1 ILE B1910 -10.577 3.441 0.156 1.00 0.00 C ATOM 0 H ILE B1910 -8.855 0.422 3.596 1.00 0.00 H new ATOM 0 HA ILE B1910 -8.949 0.743 0.746 1.00 0.00 H new ATOM 0 HB ILE B1910 -10.900 0.800 2.392 1.00 0.00 H new ATOM 0 HG12 ILE B1910 -11.030 1.366 -0.028 1.00 0.00 H new ATOM 0 HG13 ILE B1910 -12.178 2.270 0.938 1.00 0.00 H new ATOM 0 HG21 ILE B1910 -11.546 3.001 3.271 1.00 0.00 H new ATOM 0 HG22 ILE B1910 -10.045 2.392 4.007 1.00 0.00 H new ATOM 0 HG23 ILE B1910 -9.974 3.659 2.760 1.00 0.00 H new ATOM 0 HD11 ILE B1910 -11.132 3.700 -0.746 1.00 0.00 H new ATOM 0 HD12 ILE B1910 -10.688 4.237 0.892 1.00 0.00 H new ATOM 0 HD13 ILE B1910 -9.522 3.319 -0.089 1.00 0.00 H new ATOM 1317 N VAL B1911 -7.443 3.009 2.581 1.00 0.00 N ATOM 1318 CA VAL B1911 -6.561 4.166 2.498 1.00 0.00 C ATOM 1319 C VAL B1911 -5.277 3.780 1.775 1.00 0.00 C ATOM 1320 O VAL B1911 -4.745 4.550 0.975 1.00 0.00 O ATOM 1321 CB VAL B1911 -6.220 4.745 3.889 1.00 0.00 C ATOM 1322 CG1 VAL B1911 -5.528 3.708 4.756 1.00 0.00 C ATOM 1323 CG2 VAL B1911 -5.358 5.995 3.757 1.00 0.00 C ATOM 0 H VAL B1911 -7.547 2.617 3.517 1.00 0.00 H new ATOM 0 HA VAL B1911 -7.089 4.941 1.942 1.00 0.00 H new ATOM 0 HB VAL B1911 -7.155 5.023 4.375 1.00 0.00 H new ATOM 0 HG11 VAL B1911 -5.299 4.142 5.729 1.00 0.00 H new ATOM 0 HG12 VAL B1911 -6.184 2.847 4.887 1.00 0.00 H new ATOM 0 HG13 VAL B1911 -4.604 3.389 4.274 1.00 0.00 H new ATOM 0 HG21 VAL B1911 -5.130 6.386 4.749 1.00 0.00 H new ATOM 0 HG22 VAL B1911 -4.430 5.744 3.243 1.00 0.00 H new ATOM 0 HG23 VAL B1911 -5.897 6.750 3.185 1.00 0.00 H new ATOM 1333 N ILE B1912 -4.793 2.572 2.050 1.00 0.00 N ATOM 1334 CA ILE B1912 -3.585 2.082 1.410 1.00 0.00 C ATOM 1335 C ILE B1912 -3.809 1.963 -0.103 1.00 0.00 C ATOM 1336 O ILE B1912 -2.896 2.189 -0.905 1.00 0.00 O ATOM 1337 CB ILE B1912 -3.116 0.739 2.053 1.00 0.00 C ATOM 1338 CG1 ILE B1912 -1.594 0.692 2.109 1.00 0.00 C ATOM 1339 CG2 ILE B1912 -3.660 -0.500 1.344 1.00 0.00 C ATOM 1340 CD1 ILE B1912 -1.056 -0.366 3.046 1.00 0.00 C ATOM 0 H ILE B1912 -5.219 1.920 2.709 1.00 0.00 H new ATOM 0 HA ILE B1912 -2.778 2.797 1.569 1.00 0.00 H new ATOM 0 HB ILE B1912 -3.528 0.717 3.062 1.00 0.00 H new ATOM 0 HG12 ILE B1912 -1.207 0.509 1.107 1.00 0.00 H new ATOM 0 HG13 ILE B1912 -1.220 1.667 2.422 1.00 0.00 H new ATOM 0 HG21 ILE B1912 -3.293 -1.396 1.845 1.00 0.00 H new ATOM 0 HG22 ILE B1912 -4.750 -0.488 1.374 1.00 0.00 H new ATOM 0 HG23 ILE B1912 -3.326 -0.502 0.306 1.00 0.00 H new ATOM 0 HD11 ILE B1912 0.034 -0.342 3.035 1.00 0.00 H new ATOM 0 HD12 ILE B1912 -1.413 -0.172 4.057 1.00 0.00 H new ATOM 0 HD13 ILE B1912 -1.400 -1.348 2.722 1.00 0.00 H new ATOM 1352 N GLN B1913 -5.046 1.639 -0.479 1.00 0.00 N ATOM 1353 CA GLN B1913 -5.412 1.524 -1.882 1.00 0.00 C ATOM 1354 C GLN B1913 -5.242 2.875 -2.563 1.00 0.00 C ATOM 1355 O GLN B1913 -4.756 2.966 -3.691 1.00 0.00 O ATOM 1356 CB GLN B1913 -6.858 1.037 -2.020 1.00 0.00 C ATOM 1357 CG GLN B1913 -7.069 0.071 -3.175 1.00 0.00 C ATOM 1358 CD GLN B1913 -8.390 -0.670 -3.081 1.00 0.00 C ATOM 1359 OE1 GLN B1913 -9.436 -0.149 -3.470 1.00 0.00 O ATOM 1360 NE2 GLN B1913 -8.348 -1.892 -2.563 1.00 0.00 N ATOM 0 H GLN B1913 -5.809 1.452 0.172 1.00 0.00 H new ATOM 0 HA GLN B1913 -4.759 0.795 -2.362 1.00 0.00 H new ATOM 0 HB2 GLN B1913 -7.159 0.551 -1.092 1.00 0.00 H new ATOM 0 HB3 GLN B1913 -7.511 1.899 -2.155 1.00 0.00 H new ATOM 0 HG2 GLN B1913 -7.031 0.621 -4.115 1.00 0.00 H new ATOM 0 HG3 GLN B1913 -6.252 -0.651 -3.194 1.00 0.00 H new ATOM 0 HE21 GLN B1913 -7.459 -2.284 -2.253 1.00 0.00 H new ATOM 0 HE22 GLN B1913 -9.205 -2.438 -2.475 1.00 0.00 H new ATOM 1369 N ARG B1914 -5.627 3.930 -1.847 1.00 0.00 N ATOM 1370 CA ARG B1914 -5.499 5.287 -2.357 1.00 0.00 C ATOM 1371 C ARG B1914 -4.034 5.604 -2.637 1.00 0.00 C ATOM 1372 O ARG B1914 -3.710 6.328 -3.577 1.00 0.00 O ATOM 1373 CB ARG B1914 -6.071 6.291 -1.355 1.00 0.00 C ATOM 1374 CG ARG B1914 -6.573 7.573 -1.999 1.00 0.00 C ATOM 1375 CD ARG B1914 -6.613 8.719 -1.002 1.00 0.00 C ATOM 1376 NE ARG B1914 -7.497 8.435 0.127 1.00 0.00 N ATOM 1377 CZ ARG B1914 -7.601 9.210 1.208 1.00 0.00 C ATOM 1378 NH1 ARG B1914 -6.875 10.318 1.320 1.00 0.00 N1+ ATOM 1379 NH2 ARG B1914 -8.435 8.876 2.183 1.00 0.00 N ATOM 0 H ARG B1914 -6.030 3.867 -0.912 1.00 0.00 H new ATOM 0 HA ARG B1914 -6.063 5.364 -3.287 1.00 0.00 H new ATOM 0 HB2 ARG B1914 -6.891 5.822 -0.811 1.00 0.00 H new ATOM 0 HB3 ARG B1914 -5.303 6.539 -0.622 1.00 0.00 H new ATOM 0 HG2 ARG B1914 -5.926 7.839 -2.835 1.00 0.00 H new ATOM 0 HG3 ARG B1914 -7.570 7.410 -2.407 1.00 0.00 H new ATOM 0 HD2 ARG B1914 -5.606 8.913 -0.633 1.00 0.00 H new ATOM 0 HD3 ARG B1914 -6.949 9.626 -1.506 1.00 0.00 H new ATOM 0 HE ARG B1914 -8.070 7.592 0.086 1.00 0.00 H new ATOM 0 HH11 ARG B1914 -6.231 10.583 0.575 1.00 0.00 H new ATOM 0 HH12 ARG B1914 -6.962 10.903 2.151 1.00 0.00 H new ATOM 0 HH21 ARG B1914 -8.996 8.028 2.106 1.00 0.00 H new ATOM 0 HH22 ARG B1914 -8.516 9.467 3.010 1.00 0.00 H new ATOM 1393 N ALA B1915 -3.151 5.037 -1.815 1.00 0.00 N ATOM 1394 CA ALA B1915 -1.716 5.239 -1.974 1.00 0.00 C ATOM 1395 C ALA B1915 -1.260 4.764 -3.348 1.00 0.00 C ATOM 1396 O ALA B1915 -0.556 5.478 -4.063 1.00 0.00 O ATOM 1397 CB ALA B1915 -0.955 4.507 -0.879 1.00 0.00 C ATOM 0 H ALA B1915 -3.407 4.434 -1.033 1.00 0.00 H new ATOM 0 HA ALA B1915 -1.505 6.305 -1.891 1.00 0.00 H new ATOM 0 HB1 ALA B1915 0.115 4.667 -1.010 1.00 0.00 H new ATOM 0 HB2 ALA B1915 -1.262 4.889 0.095 1.00 0.00 H new ATOM 0 HB3 ALA B1915 -1.172 3.440 -0.936 1.00 0.00 H new ATOM 1403 N TYR B1916 -1.680 3.555 -3.721 1.00 0.00 N ATOM 1404 CA TYR B1916 -1.327 2.986 -5.020 1.00 0.00 C ATOM 1405 C TYR B1916 -1.755 3.917 -6.151 1.00 0.00 C ATOM 1406 O TYR B1916 -1.035 4.091 -7.134 1.00 0.00 O ATOM 1407 CB TYR B1916 -1.983 1.616 -5.200 1.00 0.00 C ATOM 1408 CG TYR B1916 -1.728 0.677 -4.047 1.00 0.00 C ATOM 1409 CD1 TYR B1916 -0.461 0.559 -3.495 1.00 0.00 C ATOM 1410 CD2 TYR B1916 -2.753 -0.089 -3.508 1.00 0.00 C ATOM 1411 CE1 TYR B1916 -0.220 -0.293 -2.437 1.00 0.00 C ATOM 1412 CE2 TYR B1916 -2.522 -0.945 -2.448 1.00 0.00 C ATOM 1413 CZ TYR B1916 -1.254 -1.044 -1.915 1.00 0.00 C ATOM 1414 OH TYR B1916 -1.019 -1.894 -0.860 1.00 0.00 O ATOM 0 H TYR B1916 -2.264 2.952 -3.142 1.00 0.00 H new ATOM 0 HA TYR B1916 -0.244 2.868 -5.054 1.00 0.00 H new ATOM 0 HB2 TYR B1916 -3.058 1.749 -5.321 1.00 0.00 H new ATOM 0 HB3 TYR B1916 -1.613 1.161 -6.119 1.00 0.00 H new ATOM 0 HD1 TYR B1916 0.351 1.144 -3.901 1.00 0.00 H new ATOM 0 HD2 TYR B1916 -3.747 -0.015 -3.924 1.00 0.00 H new ATOM 0 HE1 TYR B1916 0.773 -0.372 -2.019 1.00 0.00 H new ATOM 0 HE2 TYR B1916 -3.330 -1.533 -2.039 1.00 0.00 H new ATOM 0 HH TYR B1916 -1.852 -2.347 -0.613 1.00 0.00 H new ATOM 1424 N ARG B1917 -2.929 4.527 -5.996 1.00 0.00 N ATOM 1425 CA ARG B1917 -3.446 5.455 -6.999 1.00 0.00 C ATOM 1426 C ARG B1917 -2.476 6.616 -7.192 1.00 0.00 C ATOM 1427 O ARG B1917 -2.246 7.069 -8.313 1.00 0.00 O ATOM 1428 CB ARG B1917 -4.819 5.984 -6.581 1.00 0.00 C ATOM 1429 CG ARG B1917 -5.973 5.089 -7.005 1.00 0.00 C ATOM 1430 CD ARG B1917 -7.268 5.491 -6.317 1.00 0.00 C ATOM 1431 NE ARG B1917 -8.426 5.336 -7.195 1.00 0.00 N ATOM 1432 CZ ARG B1917 -9.597 5.945 -7.003 1.00 0.00 C ATOM 1433 NH1 ARG B1917 -9.774 6.758 -5.967 1.00 0.00 N1+ ATOM 1434 NH2 ARG B1917 -10.594 5.742 -7.853 1.00 0.00 N ATOM 0 H ARG B1917 -3.538 4.396 -5.188 1.00 0.00 H new ATOM 0 HA ARG B1917 -3.551 4.920 -7.943 1.00 0.00 H new ATOM 0 HB2 ARG B1917 -4.840 6.100 -5.497 1.00 0.00 H new ATOM 0 HB3 ARG B1917 -4.963 6.976 -7.010 1.00 0.00 H new ATOM 0 HG2 ARG B1917 -6.101 5.145 -8.086 1.00 0.00 H new ATOM 0 HG3 ARG B1917 -5.738 4.052 -6.765 1.00 0.00 H new ATOM 0 HD2 ARG B1917 -7.407 4.883 -5.423 1.00 0.00 H new ATOM 0 HD3 ARG B1917 -7.198 6.528 -5.990 1.00 0.00 H new ATOM 0 HE ARG B1917 -8.333 4.724 -8.005 1.00 0.00 H new ATOM 0 HH11 ARG B1917 -9.011 6.921 -5.310 1.00 0.00 H new ATOM 0 HH12 ARG B1917 -10.673 7.219 -5.828 1.00 0.00 H new ATOM 0 HH21 ARG B1917 -10.465 5.121 -8.652 1.00 0.00 H new ATOM 0 HH22 ARG B1917 -11.490 6.207 -7.708 1.00 0.00 H new ATOM 1448 N ARG B1918 -1.899 7.079 -6.088 1.00 0.00 N ATOM 1449 CA ARG B1918 -0.937 8.173 -6.125 1.00 0.00 C ATOM 1450 C ARG B1918 0.385 7.684 -6.708 1.00 0.00 C ATOM 1451 O ARG B1918 1.087 8.423 -7.399 1.00 0.00 O ATOM 1452 CB ARG B1918 -0.722 8.737 -4.716 1.00 0.00 C ATOM 1453 CG ARG B1918 -1.406 10.073 -4.484 1.00 0.00 C ATOM 1454 CD ARG B1918 -0.458 11.234 -4.734 1.00 0.00 C ATOM 1455 NE ARG B1918 -1.133 12.525 -4.623 1.00 0.00 N ATOM 1456 CZ ARG B1918 -0.506 13.679 -4.390 1.00 0.00 C ATOM 1457 NH1 ARG B1918 0.815 13.717 -4.251 1.00 0.00 N1+ ATOM 1458 NH2 ARG B1918 -1.204 14.803 -4.299 1.00 0.00 N ATOM 0 H ARG B1918 -2.082 6.712 -5.154 1.00 0.00 H new ATOM 0 HA ARG B1918 -1.329 8.967 -6.760 1.00 0.00 H new ATOM 0 HB2 ARG B1918 -1.092 8.017 -3.986 1.00 0.00 H new ATOM 0 HB3 ARG B1918 0.347 8.850 -4.539 1.00 0.00 H new ATOM 0 HG2 ARG B1918 -2.271 10.160 -5.142 1.00 0.00 H new ATOM 0 HG3 ARG B1918 -1.778 10.120 -3.461 1.00 0.00 H new ATOM 0 HD2 ARG B1918 0.364 11.192 -4.019 1.00 0.00 H new ATOM 0 HD3 ARG B1918 -0.021 11.138 -5.728 1.00 0.00 H new ATOM 0 HE ARG B1918 -2.147 12.545 -4.730 1.00 0.00 H new ATOM 0 HH11 ARG B1918 1.360 12.858 -4.322 1.00 0.00 H new ATOM 0 HH12 ARG B1918 1.284 14.605 -4.073 1.00 0.00 H new ATOM 0 HH21 ARG B1918 -2.218 14.784 -4.407 1.00 0.00 H new ATOM 0 HH22 ARG B1918 -0.727 15.687 -4.121 1.00 0.00 H new ATOM 1472 N TYR B1919 0.711 6.426 -6.423 1.00 0.00 N ATOM 1473 CA TYR B1919 1.938 5.814 -6.913 1.00 0.00 C ATOM 1474 C TYR B1919 1.977 5.837 -8.440 1.00 0.00 C ATOM 1475 O TYR B1919 2.881 6.417 -9.042 1.00 0.00 O ATOM 1476 CB TYR B1919 2.039 4.375 -6.395 1.00 0.00 C ATOM 1477 CG TYR B1919 3.204 3.588 -6.960 1.00 0.00 C ATOM 1478 CD1 TYR B1919 4.490 4.112 -6.961 1.00 0.00 C ATOM 1479 CD2 TYR B1919 3.013 2.319 -7.494 1.00 0.00 C ATOM 1480 CE1 TYR B1919 5.552 3.397 -7.478 1.00 0.00 C ATOM 1481 CE2 TYR B1919 4.071 1.598 -8.012 1.00 0.00 C ATOM 1482 CZ TYR B1919 5.337 2.140 -8.001 1.00 0.00 C ATOM 1483 OH TYR B1919 6.393 1.424 -8.515 1.00 0.00 O ATOM 0 H TYR B1919 0.136 5.808 -5.850 1.00 0.00 H new ATOM 0 HA TYR B1919 2.790 6.385 -6.544 1.00 0.00 H new ATOM 0 HB2 TYR B1919 2.124 4.398 -5.309 1.00 0.00 H new ATOM 0 HB3 TYR B1919 1.113 3.851 -6.631 1.00 0.00 H new ATOM 0 HD1 TYR B1919 4.662 5.096 -6.550 1.00 0.00 H new ATOM 0 HD2 TYR B1919 2.022 1.890 -7.504 1.00 0.00 H new ATOM 0 HE1 TYR B1919 6.546 3.820 -7.473 1.00 0.00 H new ATOM 0 HE2 TYR B1919 3.906 0.613 -8.424 1.00 0.00 H new ATOM 0 HH TYR B1919 6.072 0.558 -8.843 1.00 0.00 H new ATOM 1493 N LEU B1920 0.988 5.200 -9.057 1.00 0.00 N ATOM 1494 CA LEU B1920 0.905 5.145 -10.511 1.00 0.00 C ATOM 1495 C LEU B1920 0.687 6.541 -11.092 1.00 0.00 C ATOM 1496 O LEU B1920 1.198 6.865 -12.164 1.00 0.00 O ATOM 1497 CB LEU B1920 -0.229 4.204 -10.935 1.00 0.00 C ATOM 1498 CG LEU B1920 0.227 2.868 -11.521 1.00 0.00 C ATOM 1499 CD1 LEU B1920 1.057 2.097 -10.505 1.00 0.00 C ATOM 1500 CD2 LEU B1920 -0.970 2.045 -11.969 1.00 0.00 C ATOM 0 H LEU B1920 0.233 4.715 -8.573 1.00 0.00 H new ATOM 0 HA LEU B1920 1.847 4.759 -10.900 1.00 0.00 H new ATOM 0 HB2 LEU B1920 -0.861 4.007 -10.069 1.00 0.00 H new ATOM 0 HB3 LEU B1920 -0.849 4.715 -11.672 1.00 0.00 H new ATOM 0 HG LEU B1920 0.850 3.069 -12.393 1.00 0.00 H new ATOM 0 HD11 LEU B1920 1.373 1.148 -10.939 1.00 0.00 H new ATOM 0 HD12 LEU B1920 1.935 2.683 -10.233 1.00 0.00 H new ATOM 0 HD13 LEU B1920 0.458 1.907 -9.615 1.00 0.00 H new ATOM 0 HD21 LEU B1920 -0.626 1.098 -12.383 1.00 0.00 H new ATOM 0 HD22 LEU B1920 -1.620 1.853 -11.115 1.00 0.00 H new ATOM 0 HD23 LEU B1920 -1.524 2.594 -12.730 1.00 0.00 H new