USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 472 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 97 HIS : no HE2:sc= -0.756 K(o=0.17,f=-4.9!) USER MOD Set 1.2: A 135 ASN : amide:sc= 0.931 K(o=0.17,f=-4.2!) USER MOD Single : A 84 GLN : amide:sc= 1.12 K(o=1.1,f=-0.11) USER MOD Single : A 99 THR OG1 : rot -154:sc= 1.99 USER MOD Single : A 107 MET CE :methyl 176:sc= -0.229 (180deg=-0.277) USER MOD Single : A 112 GLN : amide:sc= 1.18 K(o=1.2,f=-0.97) USER MOD Single : A 116 GLN : amide:sc= 0.114 K(o=0.11,f=-5.4!) USER MOD Single : A 122 MET CE :methyl 180:sc= -0.165 (180deg=-0.165) USER MOD Single : A 130 GLN : amide:sc= 0.137 X(o=0.14,f=0) USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 142 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N ALA A 78 -1.708 -14.683 -1.279 1.00 10.00 N ATOM 38 CA ALA A 78 -1.462 -13.318 -0.924 1.00 10.00 C ATOM 39 C ALA A 78 -1.563 -12.498 -2.194 1.00 10.00 C ATOM 40 O ALA A 78 -2.670 -12.169 -2.609 1.00 10.00 O ATOM 41 CB ALA A 78 -0.104 -13.227 -0.254 1.00 10.00 C ATOM 0 HA ALA A 78 -2.189 -12.928 -0.211 1.00 10.00 H new ATOM 0 HB1 ALA A 78 0.097 -12.192 0.022 1.00 10.00 H new ATOM 0 HB2 ALA A 78 -0.097 -13.849 0.641 1.00 10.00 H new ATOM 0 HB3 ALA A 78 0.666 -13.575 -0.943 1.00 10.00 H new ATOM 47 N GLY A 79 -0.422 -12.248 -2.845 1.00 10.00 N ATOM 48 CA GLY A 79 -0.336 -11.562 -4.123 1.00 10.00 C ATOM 49 C GLY A 79 -1.307 -10.394 -4.155 1.00 10.00 C ATOM 50 O GLY A 79 -1.043 -9.390 -3.515 1.00 10.00 O ATOM 0 H GLY A 79 0.489 -12.528 -2.481 1.00 10.00 H new ATOM 0 HA2 GLY A 79 0.681 -11.204 -4.285 1.00 10.00 H new ATOM 0 HA3 GLY A 79 -0.562 -12.256 -4.933 1.00 10.00 H new ATOM 54 N LEU A 80 -2.418 -10.547 -4.881 1.00 10.00 N ATOM 55 CA LEU A 80 -3.512 -9.610 -4.966 1.00 10.00 C ATOM 56 C LEU A 80 -4.428 -9.595 -3.742 1.00 10.00 C ATOM 57 O LEU A 80 -4.659 -8.538 -3.157 1.00 10.00 O ATOM 58 CB LEU A 80 -4.252 -9.916 -6.267 1.00 10.00 C ATOM 59 CG LEU A 80 -3.690 -9.130 -7.463 1.00 10.00 C ATOM 60 CD1 LEU A 80 -2.178 -9.318 -7.649 1.00 10.00 C ATOM 61 CD2 LEU A 80 -4.403 -9.600 -8.734 1.00 10.00 C ATOM 0 H LEU A 80 -2.575 -11.378 -5.452 1.00 10.00 H new ATOM 0 HA LEU A 80 -3.118 -8.594 -4.976 1.00 10.00 H new ATOM 0 HB2 LEU A 80 -4.187 -10.984 -6.475 1.00 10.00 H new ATOM 0 HB3 LEU A 80 -5.309 -9.679 -6.145 1.00 10.00 H new ATOM 0 HG LEU A 80 -3.863 -8.072 -7.268 1.00 10.00 H new ATOM 0 HD11 LEU A 80 -1.842 -8.738 -8.509 1.00 10.00 H new ATOM 0 HD12 LEU A 80 -1.656 -8.977 -6.755 1.00 10.00 H new ATOM 0 HD13 LEU A 80 -1.960 -10.373 -7.816 1.00 10.00 H new ATOM 0 HD21 LEU A 80 -4.015 -9.052 -9.593 1.00 10.00 H new ATOM 0 HD22 LEU A 80 -4.228 -10.667 -8.876 1.00 10.00 H new ATOM 0 HD23 LEU A 80 -5.473 -9.417 -8.640 1.00 10.00 H new ATOM 73 N GLU A 81 -4.982 -10.747 -3.374 1.00 10.00 N ATOM 74 CA GLU A 81 -5.891 -10.884 -2.243 1.00 10.00 C ATOM 75 C GLU A 81 -5.306 -10.214 -0.996 1.00 10.00 C ATOM 76 O GLU A 81 -5.931 -9.321 -0.420 1.00 10.00 O ATOM 77 CB GLU A 81 -6.130 -12.383 -1.996 1.00 10.00 C ATOM 78 CG GLU A 81 -7.294 -12.983 -2.796 1.00 10.00 C ATOM 79 CD GLU A 81 -7.049 -14.452 -3.141 1.00 10.00 C ATOM 80 OE1 GLU A 81 -6.578 -15.198 -2.252 1.00 10.00 O ATOM 81 OE2 GLU A 81 -7.320 -14.819 -4.304 1.00 10.00 O ATOM 0 H GLU A 81 -4.808 -11.625 -3.862 1.00 10.00 H new ATOM 0 HA GLU A 81 -6.837 -10.391 -2.464 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -5.219 -12.928 -2.241 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -6.318 -12.538 -0.934 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -8.215 -12.894 -2.220 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -7.436 -12.413 -3.714 1.00 10.00 H new ATOM 88 N ASP A 82 -4.093 -10.612 -0.599 1.00 10.00 N ATOM 89 CA ASP A 82 -3.545 -10.144 0.682 1.00 10.00 C ATOM 90 C ASP A 82 -3.244 -8.675 0.643 1.00 10.00 C ATOM 91 O ASP A 82 -3.286 -7.981 1.646 1.00 10.00 O ATOM 92 CB ASP A 82 -2.276 -10.863 1.150 1.00 10.00 C ATOM 93 CG ASP A 82 -2.529 -12.069 2.050 1.00 10.00 C ATOM 94 OD1 ASP A 82 -3.695 -12.507 2.134 1.00 10.00 O ATOM 95 OD2 ASP A 82 -1.528 -12.540 2.630 1.00 10.00 O ATOM 0 H ASP A 82 -3.485 -11.239 -1.127 1.00 10.00 H new ATOM 0 HA ASP A 82 -4.336 -10.375 1.396 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -1.715 -11.190 0.275 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -1.647 -10.152 1.685 1.00 10.00 H new ATOM 100 N LEU A 83 -2.905 -8.216 -0.537 1.00 10.00 N ATOM 101 CA LEU A 83 -2.552 -6.873 -0.813 1.00 10.00 C ATOM 102 C LEU A 83 -3.796 -5.998 -0.670 1.00 10.00 C ATOM 103 O LEU A 83 -3.807 -5.032 0.088 1.00 10.00 O ATOM 104 CB LEU A 83 -1.934 -6.979 -2.168 1.00 10.00 C ATOM 105 CG LEU A 83 -2.020 -5.727 -2.947 1.00 10.00 C ATOM 106 CD1 LEU A 83 -1.202 -4.726 -2.167 1.00 10.00 C ATOM 107 CD2 LEU A 83 -1.420 -6.187 -4.245 1.00 10.00 C ATOM 0 H LEU A 83 -2.871 -8.812 -1.364 1.00 10.00 H new ATOM 0 HA LEU A 83 -1.846 -6.387 -0.140 1.00 10.00 H new ATOM 0 HB2 LEU A 83 -0.887 -7.262 -2.061 1.00 10.00 H new ATOM 0 HB3 LEU A 83 -2.425 -7.779 -2.723 1.00 10.00 H new ATOM 0 HG LEU A 83 -2.986 -5.253 -3.121 1.00 10.00 H new ATOM 0 HD11 LEU A 83 -1.215 -3.765 -2.682 1.00 10.00 H new ATOM 0 HD12 LEU A 83 -1.625 -4.609 -1.169 1.00 10.00 H new ATOM 0 HD13 LEU A 83 -0.174 -5.080 -2.086 1.00 10.00 H new ATOM 0 HD21 LEU A 83 -1.407 -5.359 -4.954 1.00 10.00 H new ATOM 0 HD22 LEU A 83 -0.401 -6.532 -4.072 1.00 10.00 H new ATOM 0 HD23 LEU A 83 -2.016 -7.004 -4.652 1.00 10.00 H new ATOM 119 N GLN A 84 -4.872 -6.363 -1.363 1.00 10.00 N ATOM 120 CA GLN A 84 -6.127 -5.642 -1.281 1.00 10.00 C ATOM 121 C GLN A 84 -6.609 -5.635 0.172 1.00 10.00 C ATOM 122 O GLN A 84 -6.988 -4.580 0.674 1.00 10.00 O ATOM 123 CB GLN A 84 -7.148 -6.309 -2.222 1.00 10.00 C ATOM 124 CG GLN A 84 -8.187 -5.320 -2.774 1.00 10.00 C ATOM 125 CD GLN A 84 -8.078 -5.142 -4.289 1.00 10.00 C ATOM 126 OE1 GLN A 84 -8.559 -5.984 -5.041 1.00 10.00 O ATOM 127 NE2 GLN A 84 -7.461 -4.055 -4.744 1.00 10.00 N ATOM 0 H GLN A 84 -4.893 -7.165 -1.993 1.00 10.00 H new ATOM 0 HA GLN A 84 -6.002 -4.606 -1.596 1.00 10.00 H new ATOM 0 HB2 GLN A 84 -6.619 -6.774 -3.054 1.00 10.00 H new ATOM 0 HB3 GLN A 84 -7.662 -7.107 -1.686 1.00 10.00 H new ATOM 0 HG2 GLN A 84 -9.188 -5.672 -2.524 1.00 10.00 H new ATOM 0 HG3 GLN A 84 -8.058 -4.353 -2.287 1.00 10.00 H new ATOM 0 HE21 GLN A 84 -7.073 -3.377 -4.088 1.00 10.00 H new ATOM 0 HE22 GLN A 84 -7.376 -3.900 -5.749 1.00 10.00 H new ATOM 136 N VAL A 85 -6.568 -6.788 0.854 1.00 10.00 N ATOM 137 CA VAL A 85 -6.961 -6.952 2.235 1.00 10.00 C ATOM 138 C VAL A 85 -6.067 -6.116 3.164 1.00 10.00 C ATOM 139 O VAL A 85 -6.577 -5.453 4.062 1.00 10.00 O ATOM 140 CB VAL A 85 -6.928 -8.461 2.513 1.00 10.00 C ATOM 141 CG1 VAL A 85 -6.905 -8.761 3.999 1.00 10.00 C ATOM 142 CG2 VAL A 85 -8.136 -9.156 1.868 1.00 10.00 C ATOM 0 H VAL A 85 -6.246 -7.658 0.430 1.00 10.00 H new ATOM 0 HA VAL A 85 -7.966 -6.578 2.430 1.00 10.00 H new ATOM 0 HB VAL A 85 -6.008 -8.847 2.073 1.00 10.00 H new ATOM 0 HG11 VAL A 85 -6.882 -9.840 4.152 1.00 10.00 H new ATOM 0 HG12 VAL A 85 -6.019 -8.312 4.447 1.00 10.00 H new ATOM 0 HG13 VAL A 85 -7.798 -8.347 4.468 1.00 10.00 H new ATOM 0 HG21 VAL A 85 -8.095 -10.225 2.076 1.00 10.00 H new ATOM 0 HG22 VAL A 85 -9.056 -8.742 2.279 1.00 10.00 H new ATOM 0 HG23 VAL A 85 -8.115 -8.995 0.790 1.00 10.00 H new ATOM 152 N ALA A 86 -4.748 -6.127 2.949 1.00 10.00 N ATOM 153 CA ALA A 86 -3.791 -5.290 3.664 1.00 10.00 C ATOM 154 C ALA A 86 -4.274 -3.853 3.576 1.00 10.00 C ATOM 155 O ALA A 86 -4.555 -3.192 4.570 1.00 10.00 O ATOM 156 CB ALA A 86 -2.379 -5.412 3.047 1.00 10.00 C ATOM 0 H ALA A 86 -4.310 -6.734 2.256 1.00 10.00 H new ATOM 0 HA ALA A 86 -3.724 -5.612 4.703 1.00 10.00 H new ATOM 0 HB1 ALA A 86 -1.685 -4.778 3.599 1.00 10.00 H new ATOM 0 HB2 ALA A 86 -2.046 -6.448 3.102 1.00 10.00 H new ATOM 0 HB3 ALA A 86 -2.409 -5.096 2.004 1.00 10.00 H new ATOM 162 N PHE A 87 -4.388 -3.391 2.339 1.00 10.00 N ATOM 163 CA PHE A 87 -4.716 -2.026 1.992 1.00 10.00 C ATOM 164 C PHE A 87 -6.061 -1.634 2.615 1.00 10.00 C ATOM 165 O PHE A 87 -6.178 -0.546 3.176 1.00 10.00 O ATOM 166 CB PHE A 87 -4.624 -1.932 0.463 1.00 10.00 C ATOM 167 CG PHE A 87 -3.202 -1.910 -0.096 1.00 10.00 C ATOM 168 CD1 PHE A 87 -2.093 -2.326 0.680 1.00 10.00 C ATOM 169 CD2 PHE A 87 -2.996 -1.575 -1.449 1.00 10.00 C ATOM 170 CE1 PHE A 87 -0.826 -2.467 0.098 1.00 10.00 C ATOM 171 CE2 PHE A 87 -1.703 -1.605 -1.997 1.00 10.00 C ATOM 172 CZ PHE A 87 -0.612 -2.021 -1.213 1.00 10.00 C ATOM 0 H PHE A 87 -4.248 -3.985 1.521 1.00 10.00 H new ATOM 0 HA PHE A 87 -4.024 -1.291 2.402 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -5.156 -2.778 0.029 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -5.141 -1.029 0.137 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -2.225 -2.537 1.731 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -3.836 -1.294 -2.067 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -0.019 -2.917 0.657 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -1.546 -1.308 -3.023 1.00 10.00 H new ATOM 0 HZ PHE A 87 0.388 -1.997 -1.620 1.00 10.00 H new ATOM 182 N ARG A 88 -7.023 -2.566 2.608 1.00 10.00 N ATOM 183 CA ARG A 88 -8.316 -2.479 3.291 1.00 10.00 C ATOM 184 C ARG A 88 -8.203 -1.970 4.738 1.00 10.00 C ATOM 185 O ARG A 88 -9.156 -1.399 5.263 1.00 10.00 O ATOM 186 CB ARG A 88 -9.030 -3.841 3.239 1.00 10.00 C ATOM 187 CG ARG A 88 -10.532 -3.762 2.944 1.00 10.00 C ATOM 188 CD ARG A 88 -11.319 -3.129 4.092 1.00 10.00 C ATOM 189 NE ARG A 88 -12.759 -3.367 3.936 1.00 10.00 N ATOM 190 CZ ARG A 88 -13.657 -3.230 4.922 1.00 10.00 C ATOM 191 NH1 ARG A 88 -13.263 -2.785 6.121 1.00 10.00 N ATOM 192 NH2 ARG A 88 -14.939 -3.547 4.706 1.00 10.00 N ATOM 0 H ARG A 88 -6.913 -3.444 2.100 1.00 10.00 H new ATOM 0 HA ARG A 88 -8.911 -1.737 2.758 1.00 10.00 H new ATOM 0 HB2 ARG A 88 -8.555 -4.457 2.475 1.00 10.00 H new ATOM 0 HB3 ARG A 88 -8.886 -4.349 4.193 1.00 10.00 H new ATOM 0 HG2 ARG A 88 -10.691 -3.182 2.035 1.00 10.00 H new ATOM 0 HG3 ARG A 88 -10.915 -4.764 2.754 1.00 10.00 H new ATOM 0 HD2 ARG A 88 -10.979 -3.542 5.042 1.00 10.00 H new ATOM 0 HD3 ARG A 88 -11.125 -2.057 4.123 1.00 10.00 H new ATOM 0 HE ARG A 88 -13.098 -3.655 3.018 1.00 10.00 H new ATOM 0 HH11 ARG A 88 -12.283 -2.552 6.282 1.00 10.00 H new ATOM 0 HH12 ARG A 88 -13.943 -2.679 6.874 1.00 10.00 H new ATOM 0 HH21 ARG A 88 -15.232 -3.892 3.792 1.00 10.00 H new ATOM 0 HH22 ARG A 88 -15.623 -3.443 5.455 1.00 10.00 H new ATOM 206 N ALA A 89 -7.065 -2.180 5.411 1.00 10.00 N ATOM 207 CA ALA A 89 -6.836 -1.625 6.739 1.00 10.00 C ATOM 208 C ALA A 89 -7.162 -0.127 6.780 1.00 10.00 C ATOM 209 O ALA A 89 -7.875 0.309 7.682 1.00 10.00 O ATOM 210 CB ALA A 89 -5.397 -1.892 7.187 1.00 10.00 C ATOM 0 H ALA A 89 -6.288 -2.734 5.050 1.00 10.00 H new ATOM 0 HA ALA A 89 -7.509 -2.122 7.437 1.00 10.00 H new ATOM 0 HB1 ALA A 89 -5.241 -1.472 8.181 1.00 10.00 H new ATOM 0 HB2 ALA A 89 -5.218 -2.967 7.216 1.00 10.00 H new ATOM 0 HB3 ALA A 89 -4.705 -1.428 6.484 1.00 10.00 H new ATOM 216 N PHE A 90 -6.659 0.650 5.810 1.00 10.00 N ATOM 217 CA PHE A 90 -6.912 2.086 5.741 1.00 10.00 C ATOM 218 C PHE A 90 -7.191 2.524 4.303 1.00 10.00 C ATOM 219 O PHE A 90 -6.559 3.462 3.813 1.00 10.00 O ATOM 220 CB PHE A 90 -5.695 2.830 6.295 1.00 10.00 C ATOM 221 CG PHE A 90 -5.138 2.256 7.581 1.00 10.00 C ATOM 222 CD1 PHE A 90 -5.672 2.639 8.823 1.00 10.00 C ATOM 223 CD2 PHE A 90 -4.096 1.312 7.527 1.00 10.00 C ATOM 224 CE1 PHE A 90 -5.127 2.119 10.010 1.00 10.00 C ATOM 225 CE2 PHE A 90 -3.565 0.778 8.710 1.00 10.00 C ATOM 226 CZ PHE A 90 -4.071 1.193 9.955 1.00 10.00 C ATOM 0 H PHE A 90 -6.068 0.297 5.057 1.00 10.00 H new ATOM 0 HA PHE A 90 -7.794 2.323 6.337 1.00 10.00 H new ATOM 0 HB2 PHE A 90 -4.909 2.827 5.540 1.00 10.00 H new ATOM 0 HB3 PHE A 90 -5.969 3.871 6.466 1.00 10.00 H new ATOM 0 HD1 PHE A 90 -6.500 3.332 8.866 1.00 10.00 H new ATOM 0 HD2 PHE A 90 -3.704 0.998 6.571 1.00 10.00 H new ATOM 0 HE1 PHE A 90 -5.520 2.432 10.966 1.00 10.00 H new ATOM 0 HE2 PHE A 90 -2.769 0.049 8.665 1.00 10.00 H new ATOM 0 HZ PHE A 90 -3.648 0.800 10.868 1.00 10.00 H new ATOM 236 N ASP A 91 -8.116 1.847 3.620 1.00 10.00 N ATOM 237 CA ASP A 91 -8.472 2.184 2.256 1.00 10.00 C ATOM 238 C ASP A 91 -9.530 3.295 2.216 1.00 10.00 C ATOM 239 O ASP A 91 -9.684 4.043 3.181 1.00 10.00 O ATOM 240 CB ASP A 91 -8.873 0.905 1.524 1.00 10.00 C ATOM 241 CG ASP A 91 -10.342 0.546 1.665 1.00 10.00 C ATOM 242 OD1 ASP A 91 -10.703 -0.040 2.706 1.00 10.00 O ATOM 243 OD2 ASP A 91 -11.073 0.908 0.720 1.00 10.00 O ATOM 0 H ASP A 91 -8.633 1.055 4.002 1.00 10.00 H new ATOM 0 HA ASP A 91 -7.616 2.603 1.728 1.00 10.00 H new ATOM 0 HB2 ASP A 91 -8.637 1.015 0.466 1.00 10.00 H new ATOM 0 HB3 ASP A 91 -8.270 0.079 1.901 1.00 10.00 H new ATOM 296 N GLY A 96 -10.138 6.476 -4.050 1.00 10.00 N ATOM 297 CA GLY A 96 -9.736 7.046 -2.793 1.00 10.00 C ATOM 298 C GLY A 96 -8.225 7.254 -2.757 1.00 10.00 C ATOM 299 O GLY A 96 -7.588 7.612 -3.743 1.00 10.00 O ATOM 0 HA2 GLY A 96 -10.243 7.999 -2.641 1.00 10.00 H new ATOM 0 HA3 GLY A 96 -10.038 6.390 -1.977 1.00 10.00 H new ATOM 303 N HIS A 97 -7.643 6.978 -1.596 1.00 10.00 N ATOM 304 CA HIS A 97 -6.217 7.024 -1.350 1.00 10.00 C ATOM 305 C HIS A 97 -5.983 6.441 0.036 1.00 10.00 C ATOM 306 O HIS A 97 -6.888 6.481 0.872 1.00 10.00 O ATOM 307 CB HIS A 97 -5.697 8.467 -1.423 1.00 10.00 C ATOM 308 CG HIS A 97 -4.791 8.700 -2.600 1.00 10.00 C ATOM 309 ND1 HIS A 97 -5.175 8.843 -3.914 1.00 10.00 N ATOM 310 CD2 HIS A 97 -3.427 8.739 -2.556 1.00 10.00 C ATOM 311 CE1 HIS A 97 -4.059 9.019 -4.643 1.00 10.00 C ATOM 312 NE2 HIS A 97 -2.972 8.965 -3.856 1.00 10.00 N ATOM 0 H HIS A 97 -8.178 6.706 -0.771 1.00 10.00 H new ATOM 0 HA HIS A 97 -5.680 6.452 -2.106 1.00 10.00 H new ATOM 0 HB2 HIS A 97 -6.544 9.151 -1.481 1.00 10.00 H new ATOM 0 HB3 HIS A 97 -5.160 8.702 -0.504 1.00 10.00 H new ATOM 0 HD1 HIS A 97 -6.131 8.820 -4.269 1.00 10.00 H new ATOM 0 HD2 HIS A 97 -2.813 8.617 -1.676 1.00 10.00 H new ATOM 0 HE1 HIS A 97 -4.039 9.181 -5.711 1.00 10.00 H new ATOM 320 N ILE A 98 -4.784 5.911 0.263 1.00 10.00 N ATOM 321 CA ILE A 98 -4.324 5.490 1.578 1.00 10.00 C ATOM 322 C ILE A 98 -3.378 6.565 2.131 1.00 10.00 C ATOM 323 O ILE A 98 -3.312 7.669 1.590 1.00 10.00 O ATOM 324 CB ILE A 98 -3.707 4.077 1.484 1.00 10.00 C ATOM 325 CG1 ILE A 98 -2.231 3.979 1.075 1.00 10.00 C ATOM 326 CG2 ILE A 98 -4.474 3.163 0.521 1.00 10.00 C ATOM 327 CD1 ILE A 98 -1.792 4.926 -0.032 1.00 10.00 C ATOM 0 H ILE A 98 -4.096 5.761 -0.475 1.00 10.00 H new ATOM 0 HA ILE A 98 -5.146 5.402 2.288 1.00 10.00 H new ATOM 0 HB ILE A 98 -3.784 3.759 2.524 1.00 10.00 H new ATOM 0 HG12 ILE A 98 -1.615 4.167 1.955 1.00 10.00 H new ATOM 0 HG13 ILE A 98 -2.028 2.957 0.756 1.00 10.00 H new ATOM 0 HG21 ILE A 98 -3.998 2.183 0.493 1.00 10.00 H new ATOM 0 HG22 ILE A 98 -5.504 3.057 0.863 1.00 10.00 H new ATOM 0 HG23 ILE A 98 -4.466 3.599 -0.478 1.00 10.00 H new ATOM 0 HD11 ILE A 98 -0.733 4.774 -0.243 1.00 10.00 H new ATOM 0 HD12 ILE A 98 -2.373 4.727 -0.932 1.00 10.00 H new ATOM 0 HD13 ILE A 98 -1.954 5.956 0.285 1.00 10.00 H new ATOM 339 N THR A 99 -2.582 6.232 3.147 1.00 10.00 N ATOM 340 CA THR A 99 -1.370 6.966 3.483 1.00 10.00 C ATOM 341 C THR A 99 -0.234 5.975 3.357 1.00 10.00 C ATOM 342 O THR A 99 -0.341 4.837 3.806 1.00 10.00 O ATOM 343 CB THR A 99 -1.439 7.661 4.853 1.00 10.00 C ATOM 344 OG1 THR A 99 -0.645 6.993 5.811 1.00 10.00 O ATOM 345 CG2 THR A 99 -2.888 7.809 5.315 1.00 10.00 C ATOM 0 H THR A 99 -2.765 5.439 3.762 1.00 10.00 H new ATOM 0 HA THR A 99 -1.221 7.803 2.800 1.00 10.00 H new ATOM 0 HB THR A 99 -1.026 8.664 4.744 1.00 10.00 H new ATOM 0 HG1 THR A 99 -1.004 7.160 6.707 1.00 10.00 H new ATOM 0 HG21 THR A 99 -2.912 8.303 6.286 1.00 10.00 H new ATOM 0 HG22 THR A 99 -3.442 8.406 4.590 1.00 10.00 H new ATOM 0 HG23 THR A 99 -3.346 6.823 5.398 1.00 10.00 H new ATOM 353 N VAL A 100 0.855 6.414 2.736 1.00 10.00 N ATOM 354 CA VAL A 100 2.092 5.671 2.621 1.00 10.00 C ATOM 355 C VAL A 100 2.503 5.104 4.002 1.00 10.00 C ATOM 356 O VAL A 100 3.196 4.090 4.075 1.00 10.00 O ATOM 357 CB VAL A 100 3.129 6.660 2.070 1.00 10.00 C ATOM 358 CG1 VAL A 100 4.505 6.029 1.927 1.00 10.00 C ATOM 359 CG2 VAL A 100 2.728 7.154 0.673 1.00 10.00 C ATOM 0 H VAL A 100 0.896 7.328 2.286 1.00 10.00 H new ATOM 0 HA VAL A 100 1.998 4.812 1.956 1.00 10.00 H new ATOM 0 HB VAL A 100 3.164 7.480 2.787 1.00 10.00 H new ATOM 0 HG11 VAL A 100 5.205 6.767 1.534 1.00 10.00 H new ATOM 0 HG12 VAL A 100 4.850 5.685 2.902 1.00 10.00 H new ATOM 0 HG13 VAL A 100 4.448 5.183 1.243 1.00 10.00 H new ATOM 0 HG21 VAL A 100 3.479 7.853 0.305 1.00 10.00 H new ATOM 0 HG22 VAL A 100 2.659 6.305 -0.007 1.00 10.00 H new ATOM 0 HG23 VAL A 100 1.762 7.655 0.728 1.00 10.00 H new ATOM 369 N ASP A 101 2.128 5.776 5.107 1.00 10.00 N ATOM 370 CA ASP A 101 2.393 5.257 6.456 1.00 10.00 C ATOM 371 C ASP A 101 1.426 4.149 6.886 1.00 10.00 C ATOM 372 O ASP A 101 1.847 3.043 7.221 1.00 10.00 O ATOM 373 CB ASP A 101 2.560 6.371 7.492 1.00 10.00 C ATOM 374 CG ASP A 101 3.585 5.940 8.536 1.00 10.00 C ATOM 375 OD1 ASP A 101 4.789 6.088 8.208 1.00 10.00 O ATOM 376 OD2 ASP A 101 3.169 5.426 9.596 1.00 10.00 O ATOM 0 H ASP A 101 1.644 6.674 5.090 1.00 10.00 H new ATOM 0 HA ASP A 101 3.363 4.763 6.401 1.00 10.00 H new ATOM 0 HB2 ASP A 101 2.885 7.290 7.005 1.00 10.00 H new ATOM 0 HB3 ASP A 101 1.604 6.584 7.971 1.00 10.00 H new ATOM 381 N GLU A 102 0.123 4.422 6.809 1.00 10.00 N ATOM 382 CA GLU A 102 -0.965 3.451 6.946 1.00 10.00 C ATOM 383 C GLU A 102 -0.699 2.186 6.118 1.00 10.00 C ATOM 384 O GLU A 102 -1.001 1.070 6.535 1.00 10.00 O ATOM 385 CB GLU A 102 -2.274 4.149 6.570 1.00 10.00 C ATOM 386 CG GLU A 102 -2.931 4.814 7.795 1.00 10.00 C ATOM 387 CD GLU A 102 -2.000 5.709 8.604 1.00 10.00 C ATOM 388 OE1 GLU A 102 -1.772 6.849 8.144 1.00 10.00 O ATOM 389 OE2 GLU A 102 -1.529 5.237 9.661 1.00 10.00 O ATOM 0 H GLU A 102 -0.219 5.368 6.642 1.00 10.00 H new ATOM 0 HA GLU A 102 -1.036 3.105 7.977 1.00 10.00 H new ATOM 0 HB2 GLU A 102 -2.080 4.902 5.806 1.00 10.00 H new ATOM 0 HB3 GLU A 102 -2.962 3.424 6.135 1.00 10.00 H new ATOM 0 HG2 GLU A 102 -3.782 5.406 7.458 1.00 10.00 H new ATOM 0 HG3 GLU A 102 -3.324 4.035 8.448 1.00 10.00 H new ATOM 396 N LEU A 103 -0.082 2.348 4.954 1.00 10.00 N ATOM 397 CA LEU A 103 0.411 1.262 4.127 1.00 10.00 C ATOM 398 C LEU A 103 1.379 0.362 4.906 1.00 10.00 C ATOM 399 O LEU A 103 1.256 -0.862 4.917 1.00 10.00 O ATOM 400 CB LEU A 103 1.103 1.887 2.905 1.00 10.00 C ATOM 401 CG LEU A 103 0.398 1.507 1.612 1.00 10.00 C ATOM 402 CD1 LEU A 103 0.927 2.362 0.459 1.00 10.00 C ATOM 403 CD2 LEU A 103 0.599 0.028 1.324 1.00 10.00 C ATOM 0 H LEU A 103 0.093 3.268 4.550 1.00 10.00 H new ATOM 0 HA LEU A 103 -0.417 0.627 3.811 1.00 10.00 H new ATOM 0 HB2 LEU A 103 1.116 2.972 3.008 1.00 10.00 H new ATOM 0 HB3 LEU A 103 2.141 1.558 2.865 1.00 10.00 H new ATOM 0 HG LEU A 103 -0.671 1.693 1.718 1.00 10.00 H new ATOM 0 HD11 LEU A 103 0.417 2.084 -0.464 1.00 10.00 H new ATOM 0 HD12 LEU A 103 0.743 3.415 0.672 1.00 10.00 H new ATOM 0 HD13 LEU A 103 1.998 2.197 0.346 1.00 10.00 H new ATOM 0 HD21 LEU A 103 0.091 -0.234 0.396 1.00 10.00 H new ATOM 0 HD22 LEU A 103 1.664 -0.182 1.226 1.00 10.00 H new ATOM 0 HD23 LEU A 103 0.187 -0.561 2.143 1.00 10.00 H new ATOM 415 N ARG A 104 2.354 0.987 5.561 1.00 10.00 N ATOM 416 CA ARG A 104 3.383 0.331 6.352 1.00 10.00 C ATOM 417 C ARG A 104 2.754 -0.319 7.588 1.00 10.00 C ATOM 418 O ARG A 104 3.108 -1.438 7.954 1.00 10.00 O ATOM 419 CB ARG A 104 4.440 1.388 6.711 1.00 10.00 C ATOM 420 CG ARG A 104 5.870 0.827 6.752 1.00 10.00 C ATOM 421 CD ARG A 104 6.922 1.925 6.946 1.00 10.00 C ATOM 422 NE ARG A 104 6.711 3.066 6.035 1.00 10.00 N ATOM 423 CZ ARG A 104 6.705 4.327 6.490 1.00 10.00 C ATOM 424 NH1 ARG A 104 7.537 4.681 7.473 1.00 10.00 N ATOM 425 NH2 ARG A 104 5.835 5.210 6.000 1.00 10.00 N ATOM 0 H ARG A 104 2.450 2.002 5.553 1.00 10.00 H new ATOM 0 HA ARG A 104 3.867 -0.471 5.794 1.00 10.00 H new ATOM 0 HB2 ARG A 104 4.396 2.198 5.983 1.00 10.00 H new ATOM 0 HB3 ARG A 104 4.198 1.819 7.683 1.00 10.00 H new ATOM 0 HG2 ARG A 104 5.950 0.103 7.563 1.00 10.00 H new ATOM 0 HG3 ARG A 104 6.074 0.291 5.825 1.00 10.00 H new ATOM 0 HD2 ARG A 104 6.893 2.276 7.978 1.00 10.00 H new ATOM 0 HD3 ARG A 104 7.915 1.508 6.779 1.00 10.00 H new ATOM 0 HE ARG A 104 6.567 2.892 5.040 1.00 10.00 H new ATOM 0 HH11 ARG A 104 8.174 3.993 7.875 1.00 10.00 H new ATOM 0 HH12 ARG A 104 7.536 5.639 7.822 1.00 10.00 H new ATOM 0 HH21 ARG A 104 5.173 4.927 5.278 1.00 10.00 H new ATOM 0 HH22 ARG A 104 5.832 6.169 6.347 1.00 10.00 H new ATOM 439 N ARG A 105 1.801 0.378 8.218 1.00 10.00 N ATOM 440 CA ARG A 105 1.002 -0.161 9.312 1.00 10.00 C ATOM 441 C ARG A 105 0.306 -1.453 8.875 1.00 10.00 C ATOM 442 O ARG A 105 0.420 -2.474 9.549 1.00 10.00 O ATOM 443 CB ARG A 105 -0.057 0.857 9.757 1.00 10.00 C ATOM 444 CG ARG A 105 0.519 2.125 10.393 1.00 10.00 C ATOM 445 CD ARG A 105 0.626 1.949 11.909 1.00 10.00 C ATOM 446 NE ARG A 105 1.095 3.191 12.537 1.00 10.00 N ATOM 447 CZ ARG A 105 1.000 3.460 13.848 1.00 10.00 C ATOM 448 NH1 ARG A 105 0.494 2.541 14.682 1.00 10.00 N ATOM 449 NH2 ARG A 105 1.413 4.640 14.320 1.00 10.00 N ATOM 0 H ARG A 105 1.565 1.340 7.976 1.00 10.00 H new ATOM 0 HA ARG A 105 1.670 -0.373 10.147 1.00 10.00 H new ATOM 0 HB2 ARG A 105 -0.659 1.139 8.893 1.00 10.00 H new ATOM 0 HB3 ARG A 105 -0.727 0.378 10.471 1.00 10.00 H new ATOM 0 HG2 ARG A 105 1.502 2.338 9.973 1.00 10.00 H new ATOM 0 HG3 ARG A 105 -0.118 2.979 10.162 1.00 10.00 H new ATOM 0 HD2 ARG A 105 -0.345 1.671 12.319 1.00 10.00 H new ATOM 0 HD3 ARG A 105 1.314 1.135 12.139 1.00 10.00 H new ATOM 0 HE ARG A 105 1.522 3.896 11.936 1.00 10.00 H new ATOM 0 HH11 ARG A 105 0.182 1.640 14.320 1.00 10.00 H new ATOM 0 HH12 ARG A 105 0.421 2.743 15.679 1.00 10.00 H new ATOM 0 HH21 ARG A 105 1.801 5.336 13.684 1.00 10.00 H new ATOM 0 HH22 ARG A 105 1.341 4.844 15.317 1.00 10.00 H new ATOM 463 N ALA A 106 -0.430 -1.399 7.760 1.00 10.00 N ATOM 464 CA ALA A 106 -1.262 -2.489 7.262 1.00 10.00 C ATOM 465 C ALA A 106 -0.528 -3.829 7.255 1.00 10.00 C ATOM 466 O ALA A 106 -1.100 -4.859 7.604 1.00 10.00 O ATOM 467 CB ALA A 106 -1.738 -2.168 5.848 1.00 10.00 C ATOM 0 H ALA A 106 -0.461 -0.571 7.166 1.00 10.00 H new ATOM 0 HA ALA A 106 -2.111 -2.581 7.940 1.00 10.00 H new ATOM 0 HB1 ALA A 106 -2.359 -2.984 5.479 1.00 10.00 H new ATOM 0 HB2 ALA A 106 -2.320 -1.246 5.860 1.00 10.00 H new ATOM 0 HB3 ALA A 106 -0.876 -2.044 5.193 1.00 10.00 H new ATOM 473 N MET A 107 0.743 -3.813 6.859 1.00 10.00 N ATOM 474 CA MET A 107 1.578 -5.000 6.758 1.00 10.00 C ATOM 475 C MET A 107 1.728 -5.754 8.087 1.00 10.00 C ATOM 476 O MET A 107 1.984 -6.961 8.080 1.00 10.00 O ATOM 477 CB MET A 107 2.916 -4.587 6.153 1.00 10.00 C ATOM 478 CG MET A 107 2.688 -4.342 4.662 1.00 10.00 C ATOM 479 SD MET A 107 3.942 -3.375 3.824 1.00 10.00 S ATOM 480 CE MET A 107 3.328 -3.638 2.150 1.00 10.00 C ATOM 0 H MET A 107 1.228 -2.955 6.595 1.00 10.00 H new ATOM 0 HA MET A 107 1.091 -5.723 6.104 1.00 10.00 H new ATOM 0 HB2 MET A 107 3.294 -3.686 6.636 1.00 10.00 H new ATOM 0 HB3 MET A 107 3.662 -5.367 6.304 1.00 10.00 H new ATOM 0 HG2 MET A 107 2.609 -5.308 4.163 1.00 10.00 H new ATOM 0 HG3 MET A 107 1.728 -3.840 4.539 1.00 10.00 H new ATOM 0 HE1 MET A 107 3.927 -3.058 1.448 1.00 10.00 H new ATOM 0 HE2 MET A 107 3.398 -4.696 1.899 1.00 10.00 H new ATOM 0 HE3 MET A 107 2.287 -3.319 2.090 1.00 10.00 H new ATOM 490 N ALA A 108 1.499 -5.082 9.223 1.00 10.00 N ATOM 491 CA ALA A 108 1.342 -5.748 10.512 1.00 10.00 C ATOM 492 C ALA A 108 0.311 -6.876 10.431 1.00 10.00 C ATOM 493 O ALA A 108 0.502 -7.936 11.021 1.00 10.00 O ATOM 494 CB ALA A 108 0.952 -4.725 11.583 1.00 10.00 C ATOM 0 H ALA A 108 1.419 -4.066 9.269 1.00 10.00 H new ATOM 0 HA ALA A 108 2.296 -6.198 10.787 1.00 10.00 H new ATOM 0 HB1 ALA A 108 0.836 -5.229 12.543 1.00 10.00 H new ATOM 0 HB2 ALA A 108 1.731 -3.967 11.663 1.00 10.00 H new ATOM 0 HB3 ALA A 108 0.011 -4.250 11.307 1.00 10.00 H new ATOM 500 N GLY A 109 -0.767 -6.655 9.676 1.00 10.00 N ATOM 501 CA GLY A 109 -1.795 -7.645 9.418 1.00 10.00 C ATOM 502 C GLY A 109 -1.261 -8.867 8.667 1.00 10.00 C ATOM 503 O GLY A 109 -1.778 -9.966 8.847 1.00 10.00 O ATOM 0 H GLY A 109 -0.946 -5.760 9.220 1.00 10.00 H new ATOM 0 HA2 GLY A 109 -2.230 -7.966 10.364 1.00 10.00 H new ATOM 0 HA3 GLY A 109 -2.596 -7.188 8.837 1.00 10.00 H new ATOM 507 N LEU A 110 -0.259 -8.681 7.801 1.00 10.00 N ATOM 508 CA LEU A 110 0.221 -9.733 6.914 1.00 10.00 C ATOM 509 C LEU A 110 1.166 -10.686 7.635 1.00 10.00 C ATOM 510 O LEU A 110 1.003 -11.900 7.546 1.00 10.00 O ATOM 511 CB LEU A 110 0.930 -9.127 5.696 1.00 10.00 C ATOM 512 CG LEU A 110 0.010 -8.273 4.814 1.00 10.00 C ATOM 513 CD1 LEU A 110 0.821 -7.767 3.615 1.00 10.00 C ATOM 514 CD2 LEU A 110 -1.185 -9.094 4.323 1.00 10.00 C ATOM 0 H LEU A 110 0.238 -7.796 7.699 1.00 10.00 H new ATOM 0 HA LEU A 110 -0.648 -10.300 6.582 1.00 10.00 H new ATOM 0 HB2 LEU A 110 1.763 -8.514 6.039 1.00 10.00 H new ATOM 0 HB3 LEU A 110 1.353 -9.932 5.094 1.00 10.00 H new ATOM 0 HG LEU A 110 -0.373 -7.434 5.395 1.00 10.00 H new ATOM 0 HD11 LEU A 110 0.183 -7.157 2.976 1.00 10.00 H new ATOM 0 HD12 LEU A 110 1.659 -7.167 3.970 1.00 10.00 H new ATOM 0 HD13 LEU A 110 1.198 -8.617 3.046 1.00 10.00 H new ATOM 0 HD21 LEU A 110 -1.824 -8.469 3.699 1.00 10.00 H new ATOM 0 HD22 LEU A 110 -0.828 -9.943 3.740 1.00 10.00 H new ATOM 0 HD23 LEU A 110 -1.755 -9.455 5.179 1.00 10.00 H new ATOM 526 N GLY A 111 2.186 -10.140 8.302 1.00 10.00 N ATOM 527 CA GLY A 111 3.228 -10.940 8.927 1.00 10.00 C ATOM 528 C GLY A 111 4.638 -10.438 8.620 1.00 10.00 C ATOM 529 O GLY A 111 5.593 -10.911 9.231 1.00 10.00 O ATOM 0 H GLY A 111 2.308 -9.134 8.421 1.00 10.00 H new ATOM 0 HA2 GLY A 111 3.077 -10.942 10.007 1.00 10.00 H new ATOM 0 HA3 GLY A 111 3.136 -11.973 8.590 1.00 10.00 H new ATOM 533 N GLN A 112 4.777 -9.452 7.726 1.00 10.00 N ATOM 534 CA GLN A 112 6.000 -8.670 7.581 1.00 10.00 C ATOM 535 C GLN A 112 5.757 -7.284 8.201 1.00 10.00 C ATOM 536 O GLN A 112 5.583 -6.317 7.467 1.00 10.00 O ATOM 537 CB GLN A 112 6.433 -8.612 6.105 1.00 10.00 C ATOM 538 CG GLN A 112 5.322 -8.260 5.100 1.00 10.00 C ATOM 539 CD GLN A 112 5.884 -7.833 3.742 1.00 10.00 C ATOM 540 OE1 GLN A 112 7.069 -7.998 3.466 1.00 10.00 O ATOM 541 NE2 GLN A 112 5.032 -7.266 2.891 1.00 10.00 N ATOM 0 H GLN A 112 4.036 -9.176 7.081 1.00 10.00 H new ATOM 0 HA GLN A 112 6.830 -9.138 8.111 1.00 10.00 H new ATOM 0 HB2 GLN A 112 7.232 -7.877 6.008 1.00 10.00 H new ATOM 0 HB3 GLN A 112 6.854 -9.579 5.830 1.00 10.00 H new ATOM 0 HG2 GLN A 112 4.669 -9.123 4.966 1.00 10.00 H new ATOM 0 HG3 GLN A 112 4.708 -7.456 5.506 1.00 10.00 H new ATOM 0 HE21 GLN A 112 4.054 -7.145 3.153 1.00 10.00 H new ATOM 0 HE22 GLN A 112 5.357 -6.953 1.976 1.00 10.00 H new ATOM 550 N PRO A 113 5.685 -7.149 9.537 1.00 10.00 N ATOM 551 CA PRO A 113 5.254 -5.915 10.176 1.00 10.00 C ATOM 552 C PRO A 113 6.238 -4.776 9.916 1.00 10.00 C ATOM 553 O PRO A 113 7.424 -4.914 10.206 1.00 10.00 O ATOM 554 CB PRO A 113 5.165 -6.239 11.673 1.00 10.00 C ATOM 555 CG PRO A 113 6.165 -7.380 11.847 1.00 10.00 C ATOM 556 CD PRO A 113 5.989 -8.156 10.544 1.00 10.00 C ATOM 0 HA PRO A 113 4.298 -5.575 9.779 1.00 10.00 H new ATOM 0 HB2 PRO A 113 5.427 -5.377 12.287 1.00 10.00 H new ATOM 0 HB3 PRO A 113 4.157 -6.540 11.960 1.00 10.00 H new ATOM 0 HG2 PRO A 113 7.184 -7.014 11.970 1.00 10.00 H new ATOM 0 HG3 PRO A 113 5.939 -7.992 12.720 1.00 10.00 H new ATOM 0 HD2 PRO A 113 6.894 -8.707 10.289 1.00 10.00 H new ATOM 0 HD3 PRO A 113 5.184 -8.886 10.626 1.00 10.00 H new ATOM 564 N LEU A 114 5.742 -3.635 9.422 1.00 10.00 N ATOM 565 CA LEU A 114 6.521 -2.414 9.291 1.00 10.00 C ATOM 566 C LEU A 114 7.795 -2.663 8.457 1.00 10.00 C ATOM 567 O LEU A 114 8.907 -2.383 8.907 1.00 10.00 O ATOM 568 CB LEU A 114 6.786 -1.862 10.712 1.00 10.00 C ATOM 569 CG LEU A 114 6.835 -0.331 10.858 1.00 10.00 C ATOM 570 CD1 LEU A 114 7.920 0.306 9.990 1.00 10.00 C ATOM 571 CD2 LEU A 114 5.460 0.314 10.628 1.00 10.00 C ATOM 0 H LEU A 114 4.778 -3.540 9.101 1.00 10.00 H new ATOM 0 HA LEU A 114 5.975 -1.651 8.737 1.00 10.00 H new ATOM 0 HB2 LEU A 114 6.010 -2.243 11.376 1.00 10.00 H new ATOM 0 HB3 LEU A 114 7.734 -2.268 11.064 1.00 10.00 H new ATOM 0 HG LEU A 114 7.112 -0.129 11.893 1.00 10.00 H new ATOM 0 HD11 LEU A 114 7.911 1.387 10.131 1.00 10.00 H new ATOM 0 HD12 LEU A 114 8.894 -0.089 10.277 1.00 10.00 H new ATOM 0 HD13 LEU A 114 7.729 0.075 8.942 1.00 10.00 H new ATOM 0 HD21 LEU A 114 5.542 1.395 10.741 1.00 10.00 H new ATOM 0 HD22 LEU A 114 5.112 0.080 9.622 1.00 10.00 H new ATOM 0 HD23 LEU A 114 4.749 -0.074 11.358 1.00 10.00 H new ATOM 583 N PRO A 115 7.669 -3.202 7.232 1.00 10.00 N ATOM 584 CA PRO A 115 8.804 -3.754 6.518 1.00 10.00 C ATOM 585 C PRO A 115 9.514 -2.635 5.770 1.00 10.00 C ATOM 586 O PRO A 115 9.372 -2.494 4.557 1.00 10.00 O ATOM 587 CB PRO A 115 8.200 -4.797 5.587 1.00 10.00 C ATOM 588 CG PRO A 115 6.855 -4.176 5.204 1.00 10.00 C ATOM 589 CD PRO A 115 6.450 -3.383 6.452 1.00 10.00 C ATOM 0 HA PRO A 115 9.556 -4.209 7.162 1.00 10.00 H new ATOM 0 HB2 PRO A 115 8.828 -4.971 4.713 1.00 10.00 H new ATOM 0 HB3 PRO A 115 8.074 -5.758 6.085 1.00 10.00 H new ATOM 0 HG2 PRO A 115 6.947 -3.529 4.331 1.00 10.00 H new ATOM 0 HG3 PRO A 115 6.117 -4.940 4.958 1.00 10.00 H new ATOM 0 HD2 PRO A 115 6.016 -2.421 6.178 1.00 10.00 H new ATOM 0 HD3 PRO A 115 5.696 -3.920 7.027 1.00 10.00 H new ATOM 597 N GLN A 116 10.267 -1.824 6.512 1.00 10.00 N ATOM 598 CA GLN A 116 10.804 -0.565 6.035 1.00 10.00 C ATOM 599 C GLN A 116 11.460 -0.640 4.654 1.00 10.00 C ATOM 600 O GLN A 116 11.322 0.312 3.902 1.00 10.00 O ATOM 601 CB GLN A 116 11.763 0.036 7.073 1.00 10.00 C ATOM 602 CG GLN A 116 11.093 1.098 7.958 1.00 10.00 C ATOM 603 CD GLN A 116 10.550 2.327 7.215 1.00 10.00 C ATOM 604 OE1 GLN A 116 9.741 3.077 7.765 1.00 10.00 O ATOM 605 NE2 GLN A 116 10.939 2.551 5.961 1.00 10.00 N ATOM 0 H GLN A 116 10.521 -2.034 7.477 1.00 10.00 H new ATOM 0 HA GLN A 116 9.947 0.096 5.906 1.00 10.00 H new ATOM 0 HB2 GLN A 116 12.154 -0.762 7.704 1.00 10.00 H new ATOM 0 HB3 GLN A 116 12.614 0.482 6.559 1.00 10.00 H new ATOM 0 HG2 GLN A 116 10.271 0.629 8.499 1.00 10.00 H new ATOM 0 HG3 GLN A 116 11.815 1.434 8.702 1.00 10.00 H new ATOM 0 HE21 GLN A 116 11.609 1.924 5.515 1.00 10.00 H new ATOM 0 HE22 GLN A 116 10.567 3.349 5.447 1.00 10.00 H new ATOM 614 N GLU A 117 12.172 -1.719 4.328 1.00 10.00 N ATOM 615 CA GLU A 117 12.800 -1.907 3.021 1.00 10.00 C ATOM 616 C GLU A 117 11.755 -2.154 1.936 1.00 10.00 C ATOM 617 O GLU A 117 11.802 -1.536 0.875 1.00 10.00 O ATOM 618 CB GLU A 117 13.814 -3.054 3.143 1.00 10.00 C ATOM 619 CG GLU A 117 14.708 -3.199 1.908 1.00 10.00 C ATOM 620 CD GLU A 117 15.814 -4.212 2.169 1.00 10.00 C ATOM 621 OE1 GLU A 117 16.743 -3.848 2.920 1.00 10.00 O ATOM 622 OE2 GLU A 117 15.694 -5.338 1.641 1.00 10.00 O ATOM 0 H GLU A 117 12.330 -2.495 4.971 1.00 10.00 H new ATOM 0 HA GLU A 117 13.326 -1.002 2.717 1.00 10.00 H new ATOM 0 HB2 GLU A 117 14.440 -2.886 4.020 1.00 10.00 H new ATOM 0 HB3 GLU A 117 13.278 -3.989 3.308 1.00 10.00 H new ATOM 0 HG2 GLU A 117 14.110 -3.516 1.054 1.00 10.00 H new ATOM 0 HG3 GLU A 117 15.144 -2.233 1.651 1.00 10.00 H new ATOM 629 N GLU A 118 10.793 -3.035 2.203 1.00 10.00 N ATOM 630 CA GLU A 118 9.769 -3.374 1.232 1.00 10.00 C ATOM 631 C GLU A 118 8.917 -2.127 0.985 1.00 10.00 C ATOM 632 O GLU A 118 8.657 -1.749 -0.157 1.00 10.00 O ATOM 633 CB GLU A 118 8.990 -4.592 1.749 1.00 10.00 C ATOM 634 CG GLU A 118 8.051 -5.218 0.706 1.00 10.00 C ATOM 635 CD GLU A 118 6.591 -4.875 0.967 1.00 10.00 C ATOM 636 OE1 GLU A 118 6.345 -3.728 1.397 1.00 10.00 O ATOM 637 OE2 GLU A 118 5.751 -5.782 0.771 1.00 10.00 O ATOM 0 H GLU A 118 10.706 -3.527 3.092 1.00 10.00 H new ATOM 0 HA GLU A 118 10.179 -3.666 0.265 1.00 10.00 H new ATOM 0 HB2 GLU A 118 9.699 -5.348 2.086 1.00 10.00 H new ATOM 0 HB3 GLU A 118 8.404 -4.294 2.619 1.00 10.00 H new ATOM 0 HG2 GLU A 118 8.332 -4.870 -0.288 1.00 10.00 H new ATOM 0 HG3 GLU A 118 8.175 -6.301 0.712 1.00 10.00 H new ATOM 644 N LEU A 119 8.569 -1.420 2.063 1.00 10.00 N ATOM 645 CA LEU A 119 7.781 -0.208 1.955 1.00 10.00 C ATOM 646 C LEU A 119 8.601 0.967 1.430 1.00 10.00 C ATOM 647 O LEU A 119 8.032 1.786 0.733 1.00 10.00 O ATOM 648 CB LEU A 119 7.042 0.101 3.262 1.00 10.00 C ATOM 649 CG LEU A 119 5.567 0.526 3.057 1.00 10.00 C ATOM 650 CD1 LEU A 119 5.385 1.907 2.423 1.00 10.00 C ATOM 651 CD2 LEU A 119 4.774 -0.497 2.240 1.00 10.00 C ATOM 0 H LEU A 119 8.825 -1.673 3.017 1.00 10.00 H new ATOM 0 HA LEU A 119 7.010 -0.382 1.204 1.00 10.00 H new ATOM 0 HB2 LEU A 119 7.071 -0.780 3.903 1.00 10.00 H new ATOM 0 HB3 LEU A 119 7.570 0.896 3.789 1.00 10.00 H new ATOM 0 HG LEU A 119 5.174 0.576 4.073 1.00 10.00 H new ATOM 0 HD11 LEU A 119 4.322 2.122 2.317 1.00 10.00 H new ATOM 0 HD12 LEU A 119 5.846 2.663 3.059 1.00 10.00 H new ATOM 0 HD13 LEU A 119 5.857 1.922 1.441 1.00 10.00 H new ATOM 0 HD21 LEU A 119 3.746 -0.153 2.125 1.00 10.00 H new ATOM 0 HD22 LEU A 119 5.231 -0.611 1.257 1.00 10.00 H new ATOM 0 HD23 LEU A 119 4.779 -1.457 2.756 1.00 10.00 H new ATOM 663 N ASP A 120 9.903 1.085 1.714 1.00 10.00 N ATOM 664 CA ASP A 120 10.767 2.083 1.068 1.00 10.00 C ATOM 665 C ASP A 120 10.782 1.852 -0.445 1.00 10.00 C ATOM 666 O ASP A 120 10.570 2.760 -1.250 1.00 10.00 O ATOM 667 CB ASP A 120 12.195 2.033 1.619 1.00 10.00 C ATOM 668 CG ASP A 120 13.072 3.050 0.903 1.00 10.00 C ATOM 669 OD1 ASP A 120 13.022 4.228 1.317 1.00 10.00 O ATOM 670 OD2 ASP A 120 13.767 2.635 -0.049 1.00 10.00 O ATOM 0 H ASP A 120 10.386 0.497 2.393 1.00 10.00 H new ATOM 0 HA ASP A 120 10.361 3.071 1.285 1.00 10.00 H new ATOM 0 HB2 ASP A 120 12.187 2.239 2.689 1.00 10.00 H new ATOM 0 HB3 ASP A 120 12.607 1.032 1.490 1.00 10.00 H new ATOM 675 N ALA A 121 10.988 0.594 -0.824 1.00 10.00 N ATOM 676 CA ALA A 121 10.969 0.173 -2.207 1.00 10.00 C ATOM 677 C ALA A 121 9.633 0.563 -2.858 1.00 10.00 C ATOM 678 O ALA A 121 9.615 1.315 -3.833 1.00 10.00 O ATOM 679 CB ALA A 121 11.293 -1.324 -2.250 1.00 10.00 C ATOM 0 H ALA A 121 11.174 -0.164 -0.167 1.00 10.00 H new ATOM 0 HA ALA A 121 11.728 0.682 -2.801 1.00 10.00 H new ATOM 0 HB1 ALA A 121 11.285 -1.668 -3.284 1.00 10.00 H new ATOM 0 HB2 ALA A 121 12.279 -1.495 -1.818 1.00 10.00 H new ATOM 0 HB3 ALA A 121 10.546 -1.875 -1.679 1.00 10.00 H new ATOM 685 N MET A 122 8.502 0.125 -2.291 1.00 10.00 N ATOM 686 CA MET A 122 7.184 0.480 -2.779 1.00 10.00 C ATOM 687 C MET A 122 6.909 1.980 -2.660 1.00 10.00 C ATOM 688 O MET A 122 6.178 2.519 -3.483 1.00 10.00 O ATOM 689 CB MET A 122 6.136 -0.358 -2.037 1.00 10.00 C ATOM 690 CG MET A 122 6.227 -1.819 -2.496 1.00 10.00 C ATOM 691 SD MET A 122 5.004 -2.943 -1.783 1.00 10.00 S ATOM 692 CE MET A 122 5.641 -4.503 -2.436 1.00 10.00 C ATOM 0 H MET A 122 8.487 -0.489 -1.476 1.00 10.00 H new ATOM 0 HA MET A 122 7.129 0.256 -3.844 1.00 10.00 H new ATOM 0 HB2 MET A 122 6.299 -0.293 -0.961 1.00 10.00 H new ATOM 0 HB3 MET A 122 5.138 0.034 -2.232 1.00 10.00 H new ATOM 0 HG2 MET A 122 6.129 -1.846 -3.581 1.00 10.00 H new ATOM 0 HG3 MET A 122 7.222 -2.195 -2.256 1.00 10.00 H new ATOM 0 HE1 MET A 122 5.008 -5.324 -2.099 1.00 10.00 H new ATOM 0 HE2 MET A 122 5.641 -4.469 -3.525 1.00 10.00 H new ATOM 0 HE3 MET A 122 6.659 -4.659 -2.078 1.00 10.00 H new ATOM 702 N ILE A 123 7.488 2.671 -1.672 1.00 10.00 N ATOM 703 CA ILE A 123 7.313 4.104 -1.455 1.00 10.00 C ATOM 704 C ILE A 123 7.635 4.830 -2.755 1.00 10.00 C ATOM 705 O ILE A 123 6.899 5.716 -3.176 1.00 10.00 O ATOM 706 CB ILE A 123 8.183 4.626 -0.275 1.00 10.00 C ATOM 707 CG1 ILE A 123 7.330 4.840 0.979 1.00 10.00 C ATOM 708 CG2 ILE A 123 8.955 5.927 -0.572 1.00 10.00 C ATOM 709 CD1 ILE A 123 8.111 4.790 2.298 1.00 10.00 C ATOM 0 H ILE A 123 8.105 2.235 -0.987 1.00 10.00 H new ATOM 0 HA ILE A 123 6.279 4.301 -1.172 1.00 10.00 H new ATOM 0 HB ILE A 123 8.925 3.844 -0.116 1.00 10.00 H new ATOM 0 HG12 ILE A 123 6.832 5.807 0.903 1.00 10.00 H new ATOM 0 HG13 ILE A 123 6.549 4.080 1.005 1.00 10.00 H new ATOM 0 HG21 ILE A 123 9.533 6.216 0.306 1.00 10.00 H new ATOM 0 HG22 ILE A 123 9.629 5.766 -1.414 1.00 10.00 H new ATOM 0 HG23 ILE A 123 8.250 6.720 -0.819 1.00 10.00 H new ATOM 0 HD11 ILE A 123 7.428 4.951 3.132 1.00 10.00 H new ATOM 0 HD12 ILE A 123 8.587 3.815 2.402 1.00 10.00 H new ATOM 0 HD13 ILE A 123 8.874 5.568 2.299 1.00 10.00 H new ATOM 721 N ARG A 124 8.745 4.446 -3.392 1.00 10.00 N ATOM 722 CA ARG A 124 9.199 5.115 -4.598 1.00 10.00 C ATOM 723 C ARG A 124 8.190 4.957 -5.737 1.00 10.00 C ATOM 724 O ARG A 124 8.039 5.861 -6.556 1.00 10.00 O ATOM 725 CB ARG A 124 10.599 4.613 -4.985 1.00 10.00 C ATOM 726 CG ARG A 124 11.435 5.768 -5.545 1.00 10.00 C ATOM 727 CD ARG A 124 11.961 6.657 -4.402 1.00 10.00 C ATOM 728 NE ARG A 124 12.131 8.057 -4.823 1.00 10.00 N ATOM 729 CZ ARG A 124 13.124 8.524 -5.596 1.00 10.00 C ATOM 730 NH1 ARG A 124 14.052 7.682 -6.063 1.00 10.00 N ATOM 731 NH2 ARG A 124 13.180 9.826 -5.899 1.00 10.00 N ATOM 0 H ARG A 124 9.340 3.676 -3.087 1.00 10.00 H new ATOM 0 HA ARG A 124 9.273 6.184 -4.399 1.00 10.00 H new ATOM 0 HB2 ARG A 124 11.094 4.184 -4.114 1.00 10.00 H new ATOM 0 HB3 ARG A 124 10.517 3.819 -5.728 1.00 10.00 H new ATOM 0 HG2 ARG A 124 12.272 5.373 -6.121 1.00 10.00 H new ATOM 0 HG3 ARG A 124 10.831 6.364 -6.229 1.00 10.00 H new ATOM 0 HD2 ARG A 124 11.269 6.613 -3.561 1.00 10.00 H new ATOM 0 HD3 ARG A 124 12.916 6.266 -4.049 1.00 10.00 H new ATOM 0 HE ARG A 124 11.435 8.729 -4.500 1.00 10.00 H new ATOM 0 HH11 ARG A 124 14.003 6.690 -5.831 1.00 10.00 H new ATOM 0 HH12 ARG A 124 14.809 8.032 -6.651 1.00 10.00 H new ATOM 0 HH21 ARG A 124 12.468 10.464 -5.543 1.00 10.00 H new ATOM 0 HH22 ARG A 124 13.935 10.181 -6.486 1.00 10.00 H new ATOM 745 N GLU A 125 7.501 3.815 -5.788 1.00 10.00 N ATOM 746 CA GLU A 125 6.437 3.567 -6.748 1.00 10.00 C ATOM 747 C GLU A 125 5.164 4.307 -6.324 1.00 10.00 C ATOM 748 O GLU A 125 4.441 4.841 -7.166 1.00 10.00 O ATOM 749 CB GLU A 125 6.222 2.057 -6.889 1.00 10.00 C ATOM 750 CG GLU A 125 7.531 1.376 -7.319 1.00 10.00 C ATOM 751 CD GLU A 125 7.358 -0.106 -7.612 1.00 10.00 C ATOM 752 OE1 GLU A 125 6.206 -0.589 -7.542 1.00 10.00 O ATOM 753 OE2 GLU A 125 8.391 -0.740 -7.925 1.00 10.00 O ATOM 0 H GLU A 125 7.672 3.033 -5.156 1.00 10.00 H new ATOM 0 HA GLU A 125 6.715 3.953 -7.729 1.00 10.00 H new ATOM 0 HB2 GLU A 125 5.880 1.640 -5.942 1.00 10.00 H new ATOM 0 HB3 GLU A 125 5.442 1.860 -7.624 1.00 10.00 H new ATOM 0 HG2 GLU A 125 7.919 1.874 -8.208 1.00 10.00 H new ATOM 0 HG3 GLU A 125 8.275 1.501 -6.533 1.00 10.00 H new ATOM 760 N ALA A 126 4.908 4.390 -5.016 1.00 10.00 N ATOM 761 CA ALA A 126 3.856 5.202 -4.426 1.00 10.00 C ATOM 762 C ALA A 126 4.232 6.684 -4.464 1.00 10.00 C ATOM 763 O ALA A 126 4.214 7.360 -3.433 1.00 10.00 O ATOM 764 CB ALA A 126 3.537 4.714 -3.003 1.00 10.00 C ATOM 0 H ALA A 126 5.448 3.875 -4.321 1.00 10.00 H new ATOM 0 HA ALA A 126 2.947 5.091 -5.016 1.00 10.00 H new ATOM 0 HB1 ALA A 126 2.748 5.332 -2.575 1.00 10.00 H new ATOM 0 HB2 ALA A 126 3.206 3.676 -3.040 1.00 10.00 H new ATOM 0 HB3 ALA A 126 4.431 4.788 -2.384 1.00 10.00 H new ATOM 770 N ASP A 127 4.484 7.202 -5.672 1.00 10.00 N ATOM 771 CA ASP A 127 4.496 8.633 -5.939 1.00 10.00 C ATOM 772 C ASP A 127 3.519 8.928 -7.074 1.00 10.00 C ATOM 773 O ASP A 127 3.902 9.372 -8.153 1.00 10.00 O ATOM 774 CB ASP A 127 5.909 9.159 -6.244 1.00 10.00 C ATOM 775 CG ASP A 127 5.907 10.688 -6.266 1.00 10.00 C ATOM 776 OD1 ASP A 127 5.065 11.236 -5.522 1.00 10.00 O ATOM 777 OD2 ASP A 127 6.740 11.305 -6.973 1.00 10.00 O ATOM 0 H ASP A 127 4.686 6.631 -6.493 1.00 10.00 H new ATOM 0 HA ASP A 127 4.176 9.163 -5.042 1.00 10.00 H new ATOM 0 HB2 ASP A 127 6.610 8.799 -5.491 1.00 10.00 H new ATOM 0 HB3 ASP A 127 6.249 8.774 -7.205 1.00 10.00 H new ATOM 782 N VAL A 128 2.239 8.633 -6.836 1.00 10.00 N ATOM 783 CA VAL A 128 1.185 8.918 -7.795 1.00 10.00 C ATOM 784 C VAL A 128 1.133 10.428 -8.064 1.00 10.00 C ATOM 785 O VAL A 128 1.003 10.847 -9.213 1.00 10.00 O ATOM 786 CB VAL A 128 -0.175 8.316 -7.409 1.00 10.00 C ATOM 787 CG1 VAL A 128 -1.362 9.001 -8.101 1.00 10.00 C ATOM 788 CG2 VAL A 128 -0.174 6.850 -7.877 1.00 10.00 C ATOM 0 H VAL A 128 1.912 8.192 -5.976 1.00 10.00 H new ATOM 0 HA VAL A 128 1.431 8.415 -8.730 1.00 10.00 H new ATOM 0 HB VAL A 128 -0.295 8.439 -6.333 1.00 10.00 H new ATOM 0 HG11 VAL A 128 -2.291 8.527 -7.784 1.00 10.00 H new ATOM 0 HG12 VAL A 128 -1.382 10.056 -7.829 1.00 10.00 H new ATOM 0 HG13 VAL A 128 -1.257 8.907 -9.182 1.00 10.00 H new ATOM 0 HG21 VAL A 128 -1.126 6.386 -7.620 1.00 10.00 H new ATOM 0 HG22 VAL A 128 -0.031 6.813 -8.957 1.00 10.00 H new ATOM 0 HG23 VAL A 128 0.636 6.312 -7.385 1.00 10.00 H new ATOM 798 N ASP A 129 1.215 11.225 -6.988 1.00 10.00 N ATOM 799 CA ASP A 129 1.192 12.682 -7.046 1.00 10.00 C ATOM 800 C ASP A 129 2.614 13.198 -7.308 1.00 10.00 C ATOM 801 O ASP A 129 3.098 13.135 -8.434 1.00 10.00 O ATOM 802 CB ASP A 129 0.580 13.293 -5.764 1.00 10.00 C ATOM 803 CG ASP A 129 -0.939 13.202 -5.658 1.00 10.00 C ATOM 804 OD1 ASP A 129 -1.510 12.179 -6.086 1.00 10.00 O ATOM 805 OD2 ASP A 129 -1.514 14.140 -5.061 1.00 10.00 O ATOM 0 H ASP A 129 1.301 10.861 -6.039 1.00 10.00 H new ATOM 0 HA ASP A 129 0.549 12.997 -7.868 1.00 10.00 H new ATOM 0 HB2 ASP A 129 1.018 12.795 -4.899 1.00 10.00 H new ATOM 0 HB3 ASP A 129 0.869 14.342 -5.708 1.00 10.00 H new ATOM 810 N GLN A 130 3.265 13.728 -6.266 1.00 10.00 N ATOM 811 CA GLN A 130 4.653 14.171 -6.272 1.00 10.00 C ATOM 812 C GLN A 130 5.088 14.456 -4.828 1.00 10.00 C ATOM 813 O GLN A 130 5.319 15.607 -4.463 1.00 10.00 O ATOM 814 CB GLN A 130 4.856 15.395 -7.179 1.00 10.00 C ATOM 815 CG GLN A 130 6.352 15.696 -7.366 1.00 10.00 C ATOM 816 CD GLN A 130 6.981 14.948 -8.543 1.00 10.00 C ATOM 817 OE1 GLN A 130 7.325 15.579 -9.539 1.00 10.00 O ATOM 818 NE2 GLN A 130 7.179 13.629 -8.478 1.00 10.00 N ATOM 0 H GLN A 130 2.815 13.863 -5.361 1.00 10.00 H new ATOM 0 HA GLN A 130 5.279 13.381 -6.686 1.00 10.00 H new ATOM 0 HB2 GLN A 130 4.393 15.215 -8.149 1.00 10.00 H new ATOM 0 HB3 GLN A 130 4.358 16.262 -6.744 1.00 10.00 H new ATOM 0 HG2 GLN A 130 6.483 16.768 -7.515 1.00 10.00 H new ATOM 0 HG3 GLN A 130 6.885 15.433 -6.452 1.00 10.00 H new ATOM 0 HE21 GLN A 130 6.891 13.110 -7.648 1.00 10.00 H new ATOM 0 HE22 GLN A 130 7.618 13.140 -9.258 1.00 10.00 H new ATOM 827 N ASP A 131 5.179 13.410 -4.007 1.00 10.00 N ATOM 828 CA ASP A 131 5.644 13.458 -2.624 1.00 10.00 C ATOM 829 C ASP A 131 5.749 12.025 -2.108 1.00 10.00 C ATOM 830 O ASP A 131 6.810 11.549 -1.709 1.00 10.00 O ATOM 831 CB ASP A 131 4.660 14.259 -1.738 1.00 10.00 C ATOM 832 CG ASP A 131 5.309 15.443 -1.033 1.00 10.00 C ATOM 833 OD1 ASP A 131 6.461 15.282 -0.576 1.00 10.00 O ATOM 834 OD2 ASP A 131 4.613 16.474 -0.909 1.00 10.00 O ATOM 0 H ASP A 131 4.920 12.468 -4.301 1.00 10.00 H new ATOM 0 HA ASP A 131 6.613 13.955 -2.584 1.00 10.00 H new ATOM 0 HB2 ASP A 131 3.837 14.619 -2.356 1.00 10.00 H new ATOM 0 HB3 ASP A 131 4.229 13.592 -0.991 1.00 10.00 H new ATOM 839 N GLY A 132 4.596 11.358 -2.097 1.00 10.00 N ATOM 840 CA GLY A 132 4.387 10.077 -1.454 1.00 10.00 C ATOM 841 C GLY A 132 2.884 9.837 -1.373 1.00 10.00 C ATOM 842 O GLY A 132 2.256 10.162 -0.367 1.00 10.00 O ATOM 0 H GLY A 132 3.756 11.714 -2.554 1.00 10.00 H new ATOM 0 HA2 GLY A 132 4.871 9.282 -2.021 1.00 10.00 H new ATOM 0 HA3 GLY A 132 4.829 10.073 -0.458 1.00 10.00 H new ATOM 846 N ARG A 133 2.294 9.306 -2.443 1.00 10.00 N ATOM 847 CA ARG A 133 0.872 9.029 -2.545 1.00 10.00 C ATOM 848 C ARG A 133 0.693 7.862 -3.507 1.00 10.00 C ATOM 849 O ARG A 133 1.547 7.645 -4.356 1.00 10.00 O ATOM 850 CB ARG A 133 0.157 10.245 -3.135 1.00 10.00 C ATOM 851 CG ARG A 133 -0.223 11.336 -2.123 1.00 10.00 C ATOM 852 CD ARG A 133 -1.621 11.853 -2.492 1.00 10.00 C ATOM 853 NE ARG A 133 -1.835 13.254 -2.110 1.00 10.00 N ATOM 854 CZ ARG A 133 -2.860 13.984 -2.580 1.00 10.00 C ATOM 855 NH1 ARG A 133 -3.837 13.391 -3.277 1.00 10.00 N ATOM 856 NH2 ARG A 133 -2.914 15.299 -2.334 1.00 10.00 N ATOM 0 H ARG A 133 2.812 9.051 -3.284 1.00 10.00 H new ATOM 0 HA ARG A 133 0.463 8.801 -1.561 1.00 10.00 H new ATOM 0 HB2 ARG A 133 0.797 10.687 -3.899 1.00 10.00 H new ATOM 0 HB3 ARG A 133 -0.749 9.905 -3.636 1.00 10.00 H new ATOM 0 HG2 ARG A 133 -0.219 10.935 -1.110 1.00 10.00 H new ATOM 0 HG3 ARG A 133 0.503 12.149 -2.147 1.00 10.00 H new ATOM 0 HD2 ARG A 133 -1.769 11.749 -3.567 1.00 10.00 H new ATOM 0 HD3 ARG A 133 -2.372 11.231 -2.005 1.00 10.00 H new ATOM 0 HE ARG A 133 -1.179 13.691 -1.462 1.00 10.00 H new ATOM 0 HH11 ARG A 133 -3.802 12.386 -3.450 1.00 10.00 H new ATOM 0 HH12 ARG A 133 -4.616 13.944 -3.635 1.00 10.00 H new ATOM 0 HH21 ARG A 133 -2.177 15.747 -1.790 1.00 10.00 H new ATOM 0 HH22 ARG A 133 -3.692 15.853 -2.691 1.00 10.00 H new ATOM 870 N VAL A 134 -0.414 7.126 -3.431 1.00 10.00 N ATOM 871 CA VAL A 134 -0.745 6.123 -4.418 1.00 10.00 C ATOM 872 C VAL A 134 -2.271 5.894 -4.433 1.00 10.00 C ATOM 873 O VAL A 134 -2.905 5.911 -3.376 1.00 10.00 O ATOM 874 CB VAL A 134 0.087 4.875 -4.102 1.00 10.00 C ATOM 875 CG1 VAL A 134 -0.608 4.058 -3.061 1.00 10.00 C ATOM 876 CG2 VAL A 134 0.413 4.066 -5.324 1.00 10.00 C ATOM 0 H VAL A 134 -1.100 7.215 -2.681 1.00 10.00 H new ATOM 0 HA VAL A 134 -0.494 6.433 -5.432 1.00 10.00 H new ATOM 0 HB VAL A 134 1.048 5.205 -3.708 1.00 10.00 H new ATOM 0 HG11 VAL A 134 -0.014 3.171 -2.838 1.00 10.00 H new ATOM 0 HG12 VAL A 134 -0.729 4.651 -2.154 1.00 10.00 H new ATOM 0 HG13 VAL A 134 -1.588 3.755 -3.430 1.00 10.00 H new ATOM 0 HG21 VAL A 134 1.003 3.196 -5.037 1.00 10.00 H new ATOM 0 HG22 VAL A 134 -0.511 3.737 -5.800 1.00 10.00 H new ATOM 0 HG23 VAL A 134 0.984 4.677 -6.023 1.00 10.00 H new ATOM 886 N ASN A 135 -2.862 5.668 -5.613 1.00 10.00 N ATOM 887 CA ASN A 135 -4.268 5.307 -5.755 1.00 10.00 C ATOM 888 C ASN A 135 -4.432 3.855 -5.320 1.00 10.00 C ATOM 889 O ASN A 135 -3.600 3.005 -5.642 1.00 10.00 O ATOM 890 CB ASN A 135 -4.736 5.473 -7.211 1.00 10.00 C ATOM 891 CG ASN A 135 -5.502 6.767 -7.494 1.00 10.00 C ATOM 892 OD1 ASN A 135 -5.829 7.537 -6.596 1.00 10.00 O ATOM 893 ND2 ASN A 135 -5.806 7.013 -8.761 1.00 10.00 N ATOM 0 H ASN A 135 -2.367 5.733 -6.503 1.00 10.00 H new ATOM 0 HA ASN A 135 -4.876 5.965 -5.134 1.00 10.00 H new ATOM 0 HB2 ASN A 135 -3.865 5.432 -7.865 1.00 10.00 H new ATOM 0 HB3 ASN A 135 -5.371 4.627 -7.473 1.00 10.00 H new ATOM 0 HD21 ASN A 135 -6.323 7.857 -9.007 1.00 10.00 H new ATOM 0 HD22 ASN A 135 -5.523 6.358 -9.490 1.00 10.00 H new ATOM 900 N TYR A 136 -5.496 3.571 -4.571 1.00 10.00 N ATOM 901 CA TYR A 136 -5.639 2.331 -3.840 1.00 10.00 C ATOM 902 C TYR A 136 -5.722 1.117 -4.779 1.00 10.00 C ATOM 903 O TYR A 136 -4.883 0.219 -4.674 1.00 10.00 O ATOM 904 CB TYR A 136 -6.755 2.510 -2.808 1.00 10.00 C ATOM 905 CG TYR A 136 -7.417 1.257 -2.305 1.00 10.00 C ATOM 906 CD1 TYR A 136 -6.694 0.085 -2.034 1.00 10.00 C ATOM 907 CD2 TYR A 136 -8.791 1.293 -2.063 1.00 10.00 C ATOM 908 CE1 TYR A 136 -7.375 -1.076 -1.637 1.00 10.00 C ATOM 909 CE2 TYR A 136 -9.491 0.111 -1.802 1.00 10.00 C ATOM 910 CZ TYR A 136 -8.779 -1.070 -1.526 1.00 10.00 C ATOM 911 OH TYR A 136 -9.425 -2.178 -1.062 1.00 10.00 O ATOM 0 H TYR A 136 -6.286 4.207 -4.459 1.00 10.00 H new ATOM 0 HA TYR A 136 -4.746 2.090 -3.263 1.00 10.00 H new ATOM 0 HB2 TYR A 136 -6.344 3.045 -1.952 1.00 10.00 H new ATOM 0 HB3 TYR A 136 -7.523 3.149 -3.244 1.00 10.00 H new ATOM 0 HD1 TYR A 136 -5.618 0.077 -2.131 1.00 10.00 H new ATOM 0 HD2 TYR A 136 -9.315 2.237 -2.077 1.00 10.00 H new ATOM 0 HE1 TYR A 136 -6.821 -1.976 -1.416 1.00 10.00 H new ATOM 0 HE2 TYR A 136 -10.571 0.105 -1.812 1.00 10.00 H new ATOM 0 HH TYR A 136 -10.390 -2.011 -1.045 1.00 10.00 H new ATOM 921 N GLU A 137 -6.697 1.074 -5.695 1.00 10.00 N ATOM 922 CA GLU A 137 -6.847 -0.092 -6.571 1.00 10.00 C ATOM 923 C GLU A 137 -5.605 -0.237 -7.456 1.00 10.00 C ATOM 924 O GLU A 137 -4.943 -1.273 -7.446 1.00 10.00 O ATOM 925 CB GLU A 137 -8.136 -0.024 -7.410 1.00 10.00 C ATOM 926 CG GLU A 137 -8.795 -1.407 -7.579 1.00 10.00 C ATOM 927 CD GLU A 137 -7.877 -2.489 -8.153 1.00 10.00 C ATOM 928 OE1 GLU A 137 -7.647 -2.478 -9.384 1.00 10.00 O ATOM 929 OE2 GLU A 137 -7.436 -3.334 -7.342 1.00 10.00 O ATOM 0 H GLU A 137 -7.380 1.816 -5.847 1.00 10.00 H new ATOM 0 HA GLU A 137 -6.937 -0.980 -5.945 1.00 10.00 H new ATOM 0 HB2 GLU A 137 -8.842 0.657 -6.934 1.00 10.00 H new ATOM 0 HB3 GLU A 137 -7.907 0.390 -8.392 1.00 10.00 H new ATOM 0 HG2 GLU A 137 -9.163 -1.740 -6.608 1.00 10.00 H new ATOM 0 HG3 GLU A 137 -9.663 -1.303 -8.230 1.00 10.00 H new ATOM 936 N GLU A 138 -5.251 0.830 -8.182 1.00 10.00 N ATOM 937 CA GLU A 138 -4.059 0.870 -9.008 1.00 10.00 C ATOM 938 C GLU A 138 -2.866 0.266 -8.274 1.00 10.00 C ATOM 939 O GLU A 138 -2.200 -0.619 -8.801 1.00 10.00 O ATOM 940 CB GLU A 138 -3.768 2.315 -9.416 1.00 10.00 C ATOM 941 CG GLU A 138 -4.673 2.777 -10.561 1.00 10.00 C ATOM 942 CD GLU A 138 -4.294 4.184 -10.990 1.00 10.00 C ATOM 943 OE1 GLU A 138 -3.397 4.292 -11.852 1.00 10.00 O ATOM 944 OE2 GLU A 138 -4.882 5.125 -10.415 1.00 10.00 O ATOM 0 H GLU A 138 -5.795 1.693 -8.207 1.00 10.00 H new ATOM 0 HA GLU A 138 -4.231 0.274 -9.904 1.00 10.00 H new ATOM 0 HB2 GLU A 138 -3.907 2.970 -8.556 1.00 10.00 H new ATOM 0 HB3 GLU A 138 -2.725 2.404 -9.719 1.00 10.00 H new ATOM 0 HG2 GLU A 138 -4.582 2.094 -11.405 1.00 10.00 H new ATOM 0 HG3 GLU A 138 -5.715 2.754 -10.243 1.00 10.00 H new ATOM 951 N PHE A 139 -2.601 0.698 -7.041 1.00 10.00 N ATOM 952 CA PHE A 139 -1.442 0.191 -6.330 1.00 10.00 C ATOM 953 C PHE A 139 -1.484 -1.321 -6.114 1.00 10.00 C ATOM 954 O PHE A 139 -0.458 -2.001 -6.192 1.00 10.00 O ATOM 955 CB PHE A 139 -1.254 0.947 -5.018 1.00 10.00 C ATOM 956 CG PHE A 139 0.068 0.696 -4.319 1.00 10.00 C ATOM 957 CD1 PHE A 139 1.217 0.291 -5.031 1.00 10.00 C ATOM 958 CD2 PHE A 139 0.131 0.773 -2.919 1.00 10.00 C ATOM 959 CE1 PHE A 139 2.249 -0.381 -4.362 1.00 10.00 C ATOM 960 CE2 PHE A 139 1.260 0.275 -2.255 1.00 10.00 C ATOM 961 CZ PHE A 139 2.207 -0.464 -2.966 1.00 10.00 C ATOM 0 H PHE A 139 -3.161 1.380 -6.530 1.00 10.00 H new ATOM 0 HA PHE A 139 -0.572 0.370 -6.962 1.00 10.00 H new ATOM 0 HB2 PHE A 139 -1.347 2.015 -5.215 1.00 10.00 H new ATOM 0 HB3 PHE A 139 -2.064 0.676 -4.340 1.00 10.00 H new ATOM 0 HD1 PHE A 139 1.301 0.498 -6.088 1.00 10.00 H new ATOM 0 HD2 PHE A 139 -0.682 1.211 -2.359 1.00 10.00 H new ATOM 0 HE1 PHE A 139 3.063 -0.827 -4.915 1.00 10.00 H new ATOM 0 HE2 PHE A 139 1.397 0.462 -1.200 1.00 10.00 H new ATOM 0 HZ PHE A 139 2.905 -1.098 -2.440 1.00 10.00 H new ATOM 971 N ALA A 140 -2.677 -1.862 -5.877 1.00 10.00 N ATOM 972 CA ALA A 140 -2.838 -3.301 -5.797 1.00 10.00 C ATOM 973 C ALA A 140 -2.454 -3.964 -7.122 1.00 10.00 C ATOM 974 O ALA A 140 -1.907 -5.066 -7.129 1.00 10.00 O ATOM 975 CB ALA A 140 -4.270 -3.627 -5.392 1.00 10.00 C ATOM 0 H ALA A 140 -3.535 -1.327 -5.739 1.00 10.00 H new ATOM 0 HA ALA A 140 -2.167 -3.701 -5.037 1.00 10.00 H new ATOM 0 HB1 ALA A 140 -4.394 -4.708 -5.331 1.00 10.00 H new ATOM 0 HB2 ALA A 140 -4.484 -3.182 -4.420 1.00 10.00 H new ATOM 0 HB3 ALA A 140 -4.959 -3.224 -6.135 1.00 10.00 H new ATOM 981 N ARG A 141 -2.685 -3.280 -8.245 1.00 10.00 N ATOM 982 CA ARG A 141 -2.080 -3.668 -9.507 1.00 10.00 C ATOM 983 C ARG A 141 -0.555 -3.593 -9.387 1.00 10.00 C ATOM 984 O ARG A 141 0.115 -4.608 -9.545 1.00 10.00 O ATOM 985 CB ARG A 141 -2.608 -2.805 -10.671 1.00 10.00 C ATOM 986 CG ARG A 141 -3.069 -3.670 -11.846 1.00 10.00 C ATOM 987 CD ARG A 141 -4.456 -4.238 -11.532 1.00 10.00 C ATOM 988 NE ARG A 141 -4.859 -5.236 -12.528 1.00 10.00 N ATOM 989 CZ ARG A 141 -6.059 -5.836 -12.540 1.00 10.00 C ATOM 990 NH1 ARG A 141 -6.996 -5.473 -11.654 1.00 10.00 N ATOM 991 NH2 ARG A 141 -6.306 -6.796 -13.439 1.00 10.00 N ATOM 0 H ARG A 141 -3.286 -2.458 -8.299 1.00 10.00 H new ATOM 0 HA ARG A 141 -2.358 -4.697 -9.733 1.00 10.00 H new ATOM 0 HB2 ARG A 141 -3.438 -2.191 -10.322 1.00 10.00 H new ATOM 0 HB3 ARG A 141 -1.825 -2.124 -11.004 1.00 10.00 H new ATOM 0 HG2 ARG A 141 -3.103 -3.077 -12.760 1.00 10.00 H new ATOM 0 HG3 ARG A 141 -2.360 -4.480 -12.018 1.00 10.00 H new ATOM 0 HD2 ARG A 141 -4.450 -4.692 -10.541 1.00 10.00 H new ATOM 0 HD3 ARG A 141 -5.186 -3.429 -11.508 1.00 10.00 H new ATOM 0 HE ARG A 141 -4.188 -5.489 -13.254 1.00 10.00 H new ATOM 0 HH11 ARG A 141 -6.797 -4.741 -10.972 1.00 10.00 H new ATOM 0 HH12 ARG A 141 -7.909 -5.928 -11.662 1.00 10.00 H new ATOM 0 HH21 ARG A 141 -5.585 -7.066 -14.108 1.00 10.00 H new ATOM 0 HH22 ARG A 141 -7.215 -7.258 -13.455 1.00 10.00 H new ATOM 1005 N MET A 142 -0.001 -2.405 -9.119 1.00 10.00 N ATOM 1006 CA MET A 142 1.440 -2.191 -9.214 1.00 10.00 C ATOM 1007 C MET A 142 2.278 -3.097 -8.296 1.00 10.00 C ATOM 1008 O MET A 142 3.418 -3.370 -8.663 1.00 10.00 O ATOM 1009 CB MET A 142 1.855 -0.724 -9.032 1.00 10.00 C ATOM 1010 CG MET A 142 1.574 0.238 -10.197 1.00 10.00 C ATOM 1011 SD MET A 142 -0.148 0.706 -10.493 1.00 10.00 S ATOM 1012 CE MET A 142 0.050 1.953 -11.783 1.00 10.00 C ATOM 0 H MET A 142 -0.531 -1.581 -8.835 1.00 10.00 H new ATOM 0 HA MET A 142 1.666 -2.480 -10.240 1.00 10.00 H new ATOM 0 HB2 MET A 142 1.350 -0.338 -8.147 1.00 10.00 H new ATOM 0 HB3 MET A 142 2.925 -0.699 -8.825 1.00 10.00 H new ATOM 0 HG2 MET A 142 2.146 1.150 -10.026 1.00 10.00 H new ATOM 0 HG3 MET A 142 1.961 -0.216 -11.109 1.00 10.00 H new ATOM 0 HE1 MET A 142 -0.929 2.337 -12.071 1.00 10.00 H new ATOM 0 HE2 MET A 142 0.664 2.771 -11.407 1.00 10.00 H new ATOM 0 HE3 MET A 142 0.534 1.505 -12.651 1.00 10.00 H new ATOM 1022 N LEU A 143 1.793 -3.588 -7.139 1.00 10.00 N ATOM 1023 CA LEU A 143 2.517 -4.629 -6.434 1.00 10.00 C ATOM 1024 C LEU A 143 2.812 -5.774 -7.417 1.00 10.00 C ATOM 1025 O LEU A 143 3.960 -6.182 -7.586 1.00 10.00 O ATOM 1026 CB LEU A 143 1.729 -5.085 -5.190 1.00 10.00 C ATOM 1027 CG LEU A 143 2.681 -5.723 -4.174 1.00 10.00 C ATOM 1028 CD1 LEU A 143 1.916 -6.250 -2.969 1.00 10.00 C ATOM 1029 CD2 LEU A 143 3.510 -6.883 -4.716 1.00 10.00 C ATOM 0 H LEU A 143 0.927 -3.283 -6.694 1.00 10.00 H new ATOM 0 HA LEU A 143 3.470 -4.253 -6.063 1.00 10.00 H new ATOM 0 HB2 LEU A 143 1.220 -4.233 -4.739 1.00 10.00 H new ATOM 0 HB3 LEU A 143 0.959 -5.800 -5.479 1.00 10.00 H new ATOM 0 HG LEU A 143 3.362 -4.914 -3.908 1.00 10.00 H new ATOM 0 HD11 LEU A 143 2.614 -6.698 -2.262 1.00 10.00 H new ATOM 0 HD12 LEU A 143 1.388 -5.428 -2.486 1.00 10.00 H new ATOM 0 HD13 LEU A 143 1.197 -7.002 -3.295 1.00 10.00 H new ATOM 0 HD21 LEU A 143 4.154 -7.271 -3.926 1.00 10.00 H new ATOM 0 HD22 LEU A 143 2.845 -7.674 -5.063 1.00 10.00 H new ATOM 0 HD23 LEU A 143 4.124 -6.534 -5.546 1.00 10.00 H new ATOM 1041 N ALA A 144 1.798 -6.256 -8.139 1.00 10.00 N ATOM 1042 CA ALA A 144 2.034 -7.187 -9.230 1.00 10.00 C ATOM 1043 C ALA A 144 2.441 -6.428 -10.485 1.00 10.00 C ATOM 1044 O ALA A 144 1.737 -6.354 -11.490 1.00 10.00 O ATOM 1045 CB ALA A 144 0.824 -8.044 -9.482 1.00 10.00 C ATOM 0 H ALA A 144 0.818 -6.017 -7.986 1.00 10.00 H new ATOM 0 HA ALA A 144 2.851 -7.852 -8.948 1.00 10.00 H new ATOM 0 HB1 ALA A 144 1.029 -8.731 -10.303 1.00 10.00 H new ATOM 0 HB2 ALA A 144 0.588 -8.613 -8.583 1.00 10.00 H new ATOM 0 HB3 ALA A 144 -0.023 -7.410 -9.743 1.00 10.00 H new