USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=5 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 Single : A 84 GLN : amide:sc= -0.0595 X(o=-0.059,f=-0.14) USER MOD Single : A 97 HIS : no HE2:sc= -0.62 X(o=-0.62,f=-0.77) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 MET CE :methyl -171:sc= -0.0178 (180deg=-0.251) USER MOD Single : A 112 GLN : amide:sc= 2.02 K(o=2,f=-9.9!) USER MOD Single : A 116 GLN : amide:sc= 0.442 K(o=0.44,f=-0.16) USER MOD Single : A 122 MET CE :methyl -175:sc= -0.309 (180deg=-0.346) USER MOD Single : A 130 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 135 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 136 TYR OH : rot 58:sc= 1.26 USER MOD Single : A 142 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N ALA A 78 2.330 -12.607 -4.359 1.00 10.00 N ATOM 38 CA ALA A 78 2.238 -11.517 -3.414 1.00 10.00 C ATOM 39 C ALA A 78 2.188 -10.227 -4.218 1.00 10.00 C ATOM 40 O ALA A 78 2.048 -10.229 -5.442 1.00 10.00 O ATOM 41 CB ALA A 78 3.485 -11.475 -2.539 1.00 10.00 C ATOM 0 HA ALA A 78 1.358 -11.643 -2.784 1.00 10.00 H new ATOM 0 HB1 ALA A 78 3.405 -10.650 -1.831 1.00 10.00 H new ATOM 0 HB2 ALA A 78 3.578 -12.414 -1.993 1.00 10.00 H new ATOM 0 HB3 ALA A 78 4.365 -11.331 -3.166 1.00 10.00 H new ATOM 47 N GLY A 79 2.325 -9.102 -3.534 1.00 10.00 N ATOM 48 CA GLY A 79 1.903 -7.880 -4.146 1.00 10.00 C ATOM 49 C GLY A 79 0.389 -7.975 -4.136 1.00 10.00 C ATOM 50 O GLY A 79 -0.167 -8.066 -3.050 1.00 10.00 O ATOM 0 H GLY A 79 2.710 -9.021 -2.593 1.00 10.00 H new ATOM 0 HA2 GLY A 79 2.253 -7.011 -3.588 1.00 10.00 H new ATOM 0 HA3 GLY A 79 2.291 -7.785 -5.160 1.00 10.00 H new ATOM 54 N LEU A 80 -0.298 -7.980 -5.276 1.00 10.00 N ATOM 55 CA LEU A 80 -1.680 -7.559 -5.272 1.00 10.00 C ATOM 56 C LEU A 80 -2.577 -8.202 -4.226 1.00 10.00 C ATOM 57 O LEU A 80 -3.256 -7.489 -3.497 1.00 10.00 O ATOM 58 CB LEU A 80 -2.282 -7.597 -6.677 1.00 10.00 C ATOM 59 CG LEU A 80 -3.819 -7.540 -6.684 1.00 10.00 C ATOM 60 CD1 LEU A 80 -4.394 -6.811 -7.899 1.00 10.00 C ATOM 61 CD2 LEU A 80 -4.408 -8.959 -6.614 1.00 10.00 C ATOM 0 H LEU A 80 0.072 -8.263 -6.183 1.00 10.00 H new ATOM 0 HA LEU A 80 -1.642 -6.520 -4.944 1.00 10.00 H new ATOM 0 HB2 LEU A 80 -1.892 -6.759 -7.254 1.00 10.00 H new ATOM 0 HB3 LEU A 80 -1.957 -8.508 -7.179 1.00 10.00 H new ATOM 0 HG LEU A 80 -4.104 -6.967 -5.801 1.00 10.00 H new ATOM 0 HD11 LEU A 80 -5.482 -6.808 -7.840 1.00 10.00 H new ATOM 0 HD12 LEU A 80 -4.029 -5.784 -7.914 1.00 10.00 H new ATOM 0 HD13 LEU A 80 -4.081 -7.320 -8.811 1.00 10.00 H new ATOM 0 HD21 LEU A 80 -5.496 -8.902 -6.620 1.00 10.00 H new ATOM 0 HD22 LEU A 80 -4.070 -9.536 -7.475 1.00 10.00 H new ATOM 0 HD23 LEU A 80 -4.075 -9.446 -5.698 1.00 10.00 H new ATOM 73 N GLU A 81 -2.610 -9.525 -4.165 1.00 10.00 N ATOM 74 CA GLU A 81 -3.504 -10.213 -3.244 1.00 10.00 C ATOM 75 C GLU A 81 -3.212 -9.752 -1.810 1.00 10.00 C ATOM 76 O GLU A 81 -4.106 -9.292 -1.095 1.00 10.00 O ATOM 77 CB GLU A 81 -3.366 -11.727 -3.461 1.00 10.00 C ATOM 78 CG GLU A 81 -4.550 -12.507 -2.879 1.00 10.00 C ATOM 79 CD GLU A 81 -4.512 -13.970 -3.308 1.00 10.00 C ATOM 80 OE1 GLU A 81 -4.517 -14.196 -4.538 1.00 10.00 O ATOM 81 OE2 GLU A 81 -4.484 -14.831 -2.405 1.00 10.00 O ATOM 0 H GLU A 81 -2.033 -10.141 -4.738 1.00 10.00 H new ATOM 0 HA GLU A 81 -4.548 -9.964 -3.432 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -3.287 -11.933 -4.528 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -2.442 -12.075 -3.000 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -4.531 -12.444 -1.791 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -5.485 -12.053 -3.208 1.00 10.00 H new ATOM 88 N ASP A 82 -1.928 -9.779 -1.438 1.00 10.00 N ATOM 89 CA ASP A 82 -1.444 -9.271 -0.162 1.00 10.00 C ATOM 90 C ASP A 82 -1.847 -7.825 0.035 1.00 10.00 C ATOM 91 O ASP A 82 -2.308 -7.431 1.099 1.00 10.00 O ATOM 92 CB ASP A 82 0.073 -9.465 -0.023 1.00 10.00 C ATOM 93 CG ASP A 82 0.471 -10.914 0.214 1.00 10.00 C ATOM 94 OD1 ASP A 82 -0.256 -11.606 0.956 1.00 10.00 O ATOM 95 OD2 ASP A 82 1.515 -11.297 -0.351 1.00 10.00 O ATOM 0 H ASP A 82 -1.189 -10.161 -2.028 1.00 10.00 H new ATOM 0 HA ASP A 82 -1.915 -9.852 0.631 1.00 10.00 H new ATOM 0 HB2 ASP A 82 0.564 -9.103 -0.927 1.00 10.00 H new ATOM 0 HB3 ASP A 82 0.437 -8.855 0.804 1.00 10.00 H new ATOM 100 N LEU A 83 -1.676 -7.022 -0.998 1.00 10.00 N ATOM 101 CA LEU A 83 -1.845 -5.597 -0.926 1.00 10.00 C ATOM 102 C LEU A 83 -3.311 -5.228 -0.751 1.00 10.00 C ATOM 103 O LEU A 83 -3.632 -4.380 0.067 1.00 10.00 O ATOM 104 CB LEU A 83 -1.264 -4.983 -2.183 1.00 10.00 C ATOM 105 CG LEU A 83 0.272 -5.043 -2.280 1.00 10.00 C ATOM 106 CD1 LEU A 83 0.747 -3.606 -2.268 1.00 10.00 C ATOM 107 CD2 LEU A 83 1.067 -5.776 -1.188 1.00 10.00 C ATOM 0 H LEU A 83 -1.411 -7.356 -1.925 1.00 10.00 H new ATOM 0 HA LEU A 83 -1.319 -5.205 -0.055 1.00 10.00 H new ATOM 0 HB2 LEU A 83 -1.689 -5.491 -3.049 1.00 10.00 H new ATOM 0 HB3 LEU A 83 -1.577 -3.941 -2.240 1.00 10.00 H new ATOM 0 HG LEU A 83 0.463 -5.631 -3.178 1.00 10.00 H new ATOM 0 HD11 LEU A 83 1.835 -3.582 -2.335 1.00 10.00 H new ATOM 0 HD12 LEU A 83 0.319 -3.074 -3.118 1.00 10.00 H new ATOM 0 HD13 LEU A 83 0.430 -3.126 -1.343 1.00 10.00 H new ATOM 0 HD21 LEU A 83 2.132 -5.720 -1.414 1.00 10.00 H new ATOM 0 HD22 LEU A 83 0.876 -5.308 -0.222 1.00 10.00 H new ATOM 0 HD23 LEU A 83 0.758 -6.821 -1.152 1.00 10.00 H new ATOM 119 N GLN A 84 -4.219 -5.845 -1.499 1.00 10.00 N ATOM 120 CA GLN A 84 -5.640 -5.570 -1.379 1.00 10.00 C ATOM 121 C GLN A 84 -6.096 -5.917 0.041 1.00 10.00 C ATOM 122 O GLN A 84 -6.752 -5.110 0.704 1.00 10.00 O ATOM 123 CB GLN A 84 -6.392 -6.353 -2.470 1.00 10.00 C ATOM 124 CG GLN A 84 -7.620 -5.585 -2.978 1.00 10.00 C ATOM 125 CD GLN A 84 -7.213 -4.437 -3.904 1.00 10.00 C ATOM 126 OE1 GLN A 84 -6.804 -4.670 -5.036 1.00 10.00 O ATOM 127 NE2 GLN A 84 -7.307 -3.194 -3.439 1.00 10.00 N ATOM 0 H GLN A 84 -3.989 -6.547 -2.202 1.00 10.00 H new ATOM 0 HA GLN A 84 -5.859 -4.514 -1.534 1.00 10.00 H new ATOM 0 HB2 GLN A 84 -5.718 -6.554 -3.303 1.00 10.00 H new ATOM 0 HB3 GLN A 84 -6.705 -7.319 -2.074 1.00 10.00 H new ATOM 0 HG2 GLN A 84 -8.284 -6.267 -3.510 1.00 10.00 H new ATOM 0 HG3 GLN A 84 -8.181 -5.190 -2.131 1.00 10.00 H new ATOM 0 HE21 GLN A 84 -7.651 -3.028 -2.493 1.00 10.00 H new ATOM 0 HE22 GLN A 84 -7.035 -2.407 -4.028 1.00 10.00 H new ATOM 136 N VAL A 85 -5.697 -7.098 0.525 1.00 10.00 N ATOM 137 CA VAL A 85 -5.942 -7.550 1.870 1.00 10.00 C ATOM 138 C VAL A 85 -5.315 -6.577 2.882 1.00 10.00 C ATOM 139 O VAL A 85 -5.943 -6.268 3.892 1.00 10.00 O ATOM 140 CB VAL A 85 -5.394 -8.984 1.930 1.00 10.00 C ATOM 141 CG1 VAL A 85 -5.267 -9.472 3.358 1.00 10.00 C ATOM 142 CG2 VAL A 85 -6.303 -9.939 1.141 1.00 10.00 C ATOM 0 H VAL A 85 -5.181 -7.775 -0.037 1.00 10.00 H new ATOM 0 HA VAL A 85 -6.999 -7.565 2.138 1.00 10.00 H new ATOM 0 HB VAL A 85 -4.401 -8.972 1.481 1.00 10.00 H new ATOM 0 HG11 VAL A 85 -4.876 -10.490 3.361 1.00 10.00 H new ATOM 0 HG12 VAL A 85 -4.586 -8.820 3.906 1.00 10.00 H new ATOM 0 HG13 VAL A 85 -6.247 -9.458 3.836 1.00 10.00 H new ATOM 0 HG21 VAL A 85 -5.901 -10.951 1.194 1.00 10.00 H new ATOM 0 HG22 VAL A 85 -7.305 -9.924 1.569 1.00 10.00 H new ATOM 0 HG23 VAL A 85 -6.349 -9.620 0.100 1.00 10.00 H new ATOM 152 N ALA A 86 -4.101 -6.082 2.607 1.00 10.00 N ATOM 153 CA ALA A 86 -3.425 -5.070 3.407 1.00 10.00 C ATOM 154 C ALA A 86 -4.297 -3.820 3.462 1.00 10.00 C ATOM 155 O ALA A 86 -4.929 -3.556 4.486 1.00 10.00 O ATOM 156 CB ALA A 86 -2.021 -4.762 2.845 1.00 10.00 C ATOM 0 H ALA A 86 -3.554 -6.386 1.801 1.00 10.00 H new ATOM 0 HA ALA A 86 -3.279 -5.445 4.420 1.00 10.00 H new ATOM 0 HB1 ALA A 86 -1.540 -4.003 3.462 1.00 10.00 H new ATOM 0 HB2 ALA A 86 -1.419 -5.671 2.852 1.00 10.00 H new ATOM 0 HB3 ALA A 86 -2.111 -4.394 1.823 1.00 10.00 H new ATOM 162 N PHE A 87 -4.327 -3.081 2.348 1.00 10.00 N ATOM 163 CA PHE A 87 -5.071 -1.855 2.108 1.00 10.00 C ATOM 164 C PHE A 87 -6.319 -1.818 2.968 1.00 10.00 C ATOM 165 O PHE A 87 -6.450 -0.947 3.827 1.00 10.00 O ATOM 166 CB PHE A 87 -5.430 -1.767 0.607 1.00 10.00 C ATOM 167 CG PHE A 87 -4.331 -1.225 -0.288 1.00 10.00 C ATOM 168 CD1 PHE A 87 -3.662 -0.043 0.067 1.00 10.00 C ATOM 169 CD2 PHE A 87 -3.962 -1.878 -1.478 1.00 10.00 C ATOM 170 CE1 PHE A 87 -2.460 0.288 -0.567 1.00 10.00 C ATOM 171 CE2 PHE A 87 -2.731 -1.567 -2.083 1.00 10.00 C ATOM 172 CZ PHE A 87 -1.903 -0.597 -1.500 1.00 10.00 C ATOM 0 H PHE A 87 -3.785 -3.353 1.528 1.00 10.00 H new ATOM 0 HA PHE A 87 -4.457 -0.995 2.377 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -5.705 -2.762 0.256 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -6.311 -1.135 0.497 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -4.073 0.607 0.825 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -4.618 -2.611 -1.923 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -1.964 1.220 -0.339 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -2.426 -2.071 -2.988 1.00 10.00 H new ATOM 0 HZ PHE A 87 -0.858 -0.533 -1.764 1.00 10.00 H new ATOM 182 N ARG A 88 -7.189 -2.813 2.762 1.00 10.00 N ATOM 183 CA ARG A 88 -8.494 -2.950 3.389 1.00 10.00 C ATOM 184 C ARG A 88 -8.515 -2.529 4.867 1.00 10.00 C ATOM 185 O ARG A 88 -9.512 -1.978 5.329 1.00 10.00 O ATOM 186 CB ARG A 88 -8.949 -4.406 3.185 1.00 10.00 C ATOM 187 CG ARG A 88 -10.398 -4.741 3.565 1.00 10.00 C ATOM 188 CD ARG A 88 -10.625 -4.871 5.079 1.00 10.00 C ATOM 189 NE ARG A 88 -11.649 -5.882 5.385 1.00 10.00 N ATOM 190 CZ ARG A 88 -12.014 -6.239 6.625 1.00 10.00 C ATOM 191 NH1 ARG A 88 -11.508 -5.586 7.679 1.00 10.00 N ATOM 192 NH2 ARG A 88 -12.877 -7.245 6.807 1.00 10.00 N ATOM 0 H ARG A 88 -6.985 -3.579 2.120 1.00 10.00 H new ATOM 0 HA ARG A 88 -9.194 -2.262 2.915 1.00 10.00 H new ATOM 0 HB2 ARG A 88 -8.806 -4.662 2.135 1.00 10.00 H new ATOM 0 HB3 ARG A 88 -8.289 -5.052 3.764 1.00 10.00 H new ATOM 0 HG2 ARG A 88 -11.056 -3.965 3.173 1.00 10.00 H new ATOM 0 HG3 ARG A 88 -10.684 -5.675 3.082 1.00 10.00 H new ATOM 0 HD2 ARG A 88 -9.688 -5.141 5.567 1.00 10.00 H new ATOM 0 HD3 ARG A 88 -10.930 -3.907 5.486 1.00 10.00 H new ATOM 0 HE ARG A 88 -12.112 -6.342 4.602 1.00 10.00 H new ATOM 0 HH11 ARG A 88 -10.848 -4.821 7.536 1.00 10.00 H new ATOM 0 HH12 ARG A 88 -11.782 -5.853 8.624 1.00 10.00 H new ATOM 0 HH21 ARG A 88 -13.258 -7.742 6.002 1.00 10.00 H new ATOM 0 HH22 ARG A 88 -13.154 -7.515 7.751 1.00 10.00 H new ATOM 206 N ALA A 89 -7.435 -2.788 5.617 1.00 10.00 N ATOM 207 CA ALA A 89 -7.259 -2.303 6.982 1.00 10.00 C ATOM 208 C ALA A 89 -7.655 -0.826 7.141 1.00 10.00 C ATOM 209 O ALA A 89 -8.480 -0.513 7.998 1.00 10.00 O ATOM 210 CB ALA A 89 -5.812 -2.534 7.426 1.00 10.00 C ATOM 0 H ALA A 89 -6.651 -3.349 5.283 1.00 10.00 H new ATOM 0 HA ALA A 89 -7.932 -2.870 7.625 1.00 10.00 H new ATOM 0 HB1 ALA A 89 -5.682 -2.171 8.446 1.00 10.00 H new ATOM 0 HB2 ALA A 89 -5.586 -3.600 7.388 1.00 10.00 H new ATOM 0 HB3 ALA A 89 -5.137 -1.996 6.761 1.00 10.00 H new ATOM 216 N PHE A 90 -7.071 0.074 6.340 1.00 10.00 N ATOM 217 CA PHE A 90 -7.405 1.499 6.357 1.00 10.00 C ATOM 218 C PHE A 90 -8.366 1.816 5.210 1.00 10.00 C ATOM 219 O PHE A 90 -9.375 2.499 5.386 1.00 10.00 O ATOM 220 CB PHE A 90 -6.109 2.303 6.360 1.00 10.00 C ATOM 221 CG PHE A 90 -5.337 2.017 7.638 1.00 10.00 C ATOM 222 CD1 PHE A 90 -5.681 2.682 8.830 1.00 10.00 C ATOM 223 CD2 PHE A 90 -4.457 0.923 7.687 1.00 10.00 C ATOM 224 CE1 PHE A 90 -5.173 2.234 10.061 1.00 10.00 C ATOM 225 CE2 PHE A 90 -3.982 0.448 8.919 1.00 10.00 C ATOM 226 CZ PHE A 90 -4.349 1.096 10.111 1.00 10.00 C ATOM 0 H PHE A 90 -6.351 -0.169 5.660 1.00 10.00 H new ATOM 0 HA PHE A 90 -7.941 1.784 7.262 1.00 10.00 H new ATOM 0 HB2 PHE A 90 -5.505 2.042 5.491 1.00 10.00 H new ATOM 0 HB3 PHE A 90 -6.329 3.368 6.286 1.00 10.00 H new ATOM 0 HD1 PHE A 90 -6.337 3.539 8.798 1.00 10.00 H new ATOM 0 HD2 PHE A 90 -4.144 0.445 6.771 1.00 10.00 H new ATOM 0 HE1 PHE A 90 -5.416 2.764 10.970 1.00 10.00 H new ATOM 0 HE2 PHE A 90 -3.334 -0.416 8.951 1.00 10.00 H new ATOM 0 HZ PHE A 90 -3.999 0.721 11.062 1.00 10.00 H new ATOM 236 N ASP A 91 -8.073 1.269 4.034 1.00 10.00 N ATOM 237 CA ASP A 91 -8.835 1.458 2.817 1.00 10.00 C ATOM 238 C ASP A 91 -10.140 0.689 2.842 1.00 10.00 C ATOM 239 O ASP A 91 -10.266 -0.337 2.176 1.00 10.00 O ATOM 240 CB ASP A 91 -8.011 0.947 1.645 1.00 10.00 C ATOM 241 CG ASP A 91 -6.779 1.796 1.468 1.00 10.00 C ATOM 242 OD1 ASP A 91 -5.769 1.465 2.124 1.00 10.00 O ATOM 243 OD2 ASP A 91 -6.893 2.775 0.708 1.00 10.00 O ATOM 0 H ASP A 91 -7.266 0.659 3.904 1.00 10.00 H new ATOM 0 HA ASP A 91 -9.060 2.520 2.723 1.00 10.00 H new ATOM 0 HB2 ASP A 91 -7.725 -0.091 1.817 1.00 10.00 H new ATOM 0 HB3 ASP A 91 -8.609 0.966 0.734 1.00 10.00 H new ATOM 296 N GLY A 96 -9.833 7.579 -3.839 1.00 10.00 N ATOM 297 CA GLY A 96 -8.955 8.720 -3.878 1.00 10.00 C ATOM 298 C GLY A 96 -7.478 8.375 -3.677 1.00 10.00 C ATOM 299 O GLY A 96 -6.718 8.347 -4.642 1.00 10.00 O ATOM 0 HA2 GLY A 96 -9.073 9.224 -4.837 1.00 10.00 H new ATOM 0 HA3 GLY A 96 -9.261 9.427 -3.107 1.00 10.00 H new ATOM 303 N HIS A 97 -7.039 8.223 -2.421 1.00 10.00 N ATOM 304 CA HIS A 97 -5.622 8.227 -2.077 1.00 10.00 C ATOM 305 C HIS A 97 -5.406 7.804 -0.619 1.00 10.00 C ATOM 306 O HIS A 97 -6.048 8.347 0.279 1.00 10.00 O ATOM 307 CB HIS A 97 -5.067 9.639 -2.328 1.00 10.00 C ATOM 308 CG HIS A 97 -3.709 9.916 -1.743 1.00 10.00 C ATOM 309 ND1 HIS A 97 -3.462 10.601 -0.576 1.00 10.00 N ATOM 310 CD2 HIS A 97 -2.505 9.661 -2.337 1.00 10.00 C ATOM 311 CE1 HIS A 97 -2.130 10.755 -0.476 1.00 10.00 C ATOM 312 NE2 HIS A 97 -1.501 10.208 -1.530 1.00 10.00 N ATOM 0 H HIS A 97 -7.659 8.095 -1.621 1.00 10.00 H new ATOM 0 HA HIS A 97 -5.092 7.506 -2.699 1.00 10.00 H new ATOM 0 HB2 HIS A 97 -5.020 9.806 -3.404 1.00 10.00 H new ATOM 0 HB3 HIS A 97 -5.772 10.365 -1.923 1.00 10.00 H new ATOM 0 HD1 HIS A 97 -4.160 10.931 0.090 1.00 10.00 H new ATOM 0 HD2 HIS A 97 -2.355 9.131 -3.266 1.00 10.00 H new ATOM 0 HE1 HIS A 97 -1.632 11.252 0.343 1.00 10.00 H new ATOM 320 N ILE A 98 -4.479 6.868 -0.391 1.00 10.00 N ATOM 321 CA ILE A 98 -4.056 6.414 0.936 1.00 10.00 C ATOM 322 C ILE A 98 -3.123 7.406 1.632 1.00 10.00 C ATOM 323 O ILE A 98 -2.552 8.289 1.000 1.00 10.00 O ATOM 324 CB ILE A 98 -3.272 5.095 0.814 1.00 10.00 C ATOM 325 CG1 ILE A 98 -2.324 5.066 -0.389 1.00 10.00 C ATOM 326 CG2 ILE A 98 -4.217 3.912 0.744 1.00 10.00 C ATOM 327 CD1 ILE A 98 -1.173 4.105 -0.103 1.00 10.00 C ATOM 0 H ILE A 98 -3.988 6.392 -1.148 1.00 10.00 H new ATOM 0 HA ILE A 98 -4.970 6.302 1.519 1.00 10.00 H new ATOM 0 HB ILE A 98 -2.658 5.026 1.712 1.00 10.00 H new ATOM 0 HG12 ILE A 98 -2.862 4.751 -1.283 1.00 10.00 H new ATOM 0 HG13 ILE A 98 -1.937 6.066 -0.586 1.00 10.00 H new ATOM 0 HG21 ILE A 98 -3.641 2.991 0.658 1.00 10.00 H new ATOM 0 HG22 ILE A 98 -4.824 3.877 1.649 1.00 10.00 H new ATOM 0 HG23 ILE A 98 -4.867 4.016 -0.125 1.00 10.00 H new ATOM 0 HD11 ILE A 98 -0.497 4.083 -0.958 1.00 10.00 H new ATOM 0 HD12 ILE A 98 -0.630 4.440 0.781 1.00 10.00 H new ATOM 0 HD13 ILE A 98 -1.569 3.105 0.073 1.00 10.00 H new ATOM 339 N THR A 99 -2.854 7.161 2.919 1.00 10.00 N ATOM 340 CA THR A 99 -1.561 7.486 3.501 1.00 10.00 C ATOM 341 C THR A 99 -0.679 6.236 3.467 1.00 10.00 C ATOM 342 O THR A 99 -1.057 5.161 3.933 1.00 10.00 O ATOM 343 CB THR A 99 -1.648 8.228 4.832 1.00 10.00 C ATOM 344 OG1 THR A 99 -0.361 8.310 5.418 1.00 10.00 O ATOM 345 CG2 THR A 99 -2.586 7.472 5.725 1.00 10.00 C ATOM 0 H THR A 99 -3.517 6.740 3.570 1.00 10.00 H new ATOM 0 HA THR A 99 -1.060 8.238 2.891 1.00 10.00 H new ATOM 0 HB THR A 99 -2.018 9.242 4.683 1.00 10.00 H new ATOM 0 HG1 THR A 99 -0.420 8.788 6.271 1.00 10.00 H new ATOM 0 HG21 THR A 99 -2.666 7.983 6.685 1.00 10.00 H new ATOM 0 HG22 THR A 99 -3.570 7.420 5.259 1.00 10.00 H new ATOM 0 HG23 THR A 99 -2.205 6.463 5.882 1.00 10.00 H new ATOM 353 N VAL A 100 0.517 6.368 2.889 1.00 10.00 N ATOM 354 CA VAL A 100 1.473 5.276 2.803 1.00 10.00 C ATOM 355 C VAL A 100 1.808 4.747 4.210 1.00 10.00 C ATOM 356 O VAL A 100 2.188 3.586 4.381 1.00 10.00 O ATOM 357 CB VAL A 100 2.713 5.733 2.013 1.00 10.00 C ATOM 358 CG1 VAL A 100 3.643 4.553 1.737 1.00 10.00 C ATOM 359 CG2 VAL A 100 2.347 6.297 0.635 1.00 10.00 C ATOM 0 H VAL A 100 0.845 7.238 2.469 1.00 10.00 H new ATOM 0 HA VAL A 100 1.039 4.439 2.257 1.00 10.00 H new ATOM 0 HB VAL A 100 3.187 6.497 2.630 1.00 10.00 H new ATOM 0 HG11 VAL A 100 4.513 4.898 1.178 1.00 10.00 H new ATOM 0 HG12 VAL A 100 3.968 4.118 2.682 1.00 10.00 H new ATOM 0 HG13 VAL A 100 3.112 3.800 1.154 1.00 10.00 H new ATOM 0 HG21 VAL A 100 3.254 6.606 0.116 1.00 10.00 H new ATOM 0 HG22 VAL A 100 1.838 5.530 0.051 1.00 10.00 H new ATOM 0 HG23 VAL A 100 1.688 7.157 0.757 1.00 10.00 H new ATOM 369 N ASP A 101 1.637 5.586 5.237 1.00 10.00 N ATOM 370 CA ASP A 101 1.871 5.170 6.615 1.00 10.00 C ATOM 371 C ASP A 101 0.792 4.185 7.087 1.00 10.00 C ATOM 372 O ASP A 101 1.093 3.167 7.711 1.00 10.00 O ATOM 373 CB ASP A 101 2.023 6.401 7.520 1.00 10.00 C ATOM 374 CG ASP A 101 3.223 6.233 8.434 1.00 10.00 C ATOM 375 OD1 ASP A 101 3.111 5.510 9.441 1.00 10.00 O ATOM 376 OD2 ASP A 101 4.306 6.728 8.037 1.00 10.00 O ATOM 0 H ASP A 101 1.337 6.556 5.135 1.00 10.00 H new ATOM 0 HA ASP A 101 2.811 4.622 6.674 1.00 10.00 H new ATOM 0 HB2 ASP A 101 2.143 7.297 6.911 1.00 10.00 H new ATOM 0 HB3 ASP A 101 1.120 6.538 8.115 1.00 10.00 H new ATOM 381 N GLU A 102 -0.467 4.432 6.713 1.00 10.00 N ATOM 382 CA GLU A 102 -1.554 3.480 6.922 1.00 10.00 C ATOM 383 C GLU A 102 -1.258 2.166 6.215 1.00 10.00 C ATOM 384 O GLU A 102 -1.484 1.108 6.787 1.00 10.00 O ATOM 385 CB GLU A 102 -2.893 4.061 6.478 1.00 10.00 C ATOM 386 CG GLU A 102 -3.445 4.984 7.578 1.00 10.00 C ATOM 387 CD GLU A 102 -4.798 5.577 7.210 1.00 10.00 C ATOM 388 OE1 GLU A 102 -5.108 5.592 5.999 1.00 10.00 O ATOM 389 OE2 GLU A 102 -5.503 5.997 8.152 1.00 10.00 O ATOM 0 H GLU A 102 -0.758 5.297 6.258 1.00 10.00 H new ATOM 0 HA GLU A 102 -1.627 3.279 7.991 1.00 10.00 H new ATOM 0 HB2 GLU A 102 -2.769 4.619 5.550 1.00 10.00 H new ATOM 0 HB3 GLU A 102 -3.600 3.257 6.275 1.00 10.00 H new ATOM 0 HG2 GLU A 102 -3.538 4.422 8.508 1.00 10.00 H new ATOM 0 HG3 GLU A 102 -2.735 5.791 7.762 1.00 10.00 H new ATOM 396 N LEU A 103 -0.709 2.207 5.003 1.00 10.00 N ATOM 397 CA LEU A 103 -0.215 1.005 4.332 1.00 10.00 C ATOM 398 C LEU A 103 0.785 0.262 5.232 1.00 10.00 C ATOM 399 O LEU A 103 0.700 -0.951 5.432 1.00 10.00 O ATOM 400 CB LEU A 103 0.451 1.419 3.017 1.00 10.00 C ATOM 401 CG LEU A 103 -0.155 0.793 1.759 1.00 10.00 C ATOM 402 CD1 LEU A 103 0.634 1.424 0.595 1.00 10.00 C ATOM 403 CD2 LEU A 103 0.092 -0.712 1.647 1.00 10.00 C ATOM 0 H LEU A 103 -0.594 3.064 4.462 1.00 10.00 H new ATOM 0 HA LEU A 103 -1.045 0.329 4.126 1.00 10.00 H new ATOM 0 HB2 LEU A 103 0.398 2.504 2.926 1.00 10.00 H new ATOM 0 HB3 LEU A 103 1.507 1.154 3.063 1.00 10.00 H new ATOM 0 HG LEU A 103 -1.232 0.960 1.765 1.00 10.00 H new ATOM 0 HD11 LEU A 103 0.264 1.030 -0.351 1.00 10.00 H new ATOM 0 HD12 LEU A 103 0.505 2.506 0.613 1.00 10.00 H new ATOM 0 HD13 LEU A 103 1.692 1.183 0.699 1.00 10.00 H new ATOM 0 HD21 LEU A 103 -0.365 -1.089 0.732 1.00 10.00 H new ATOM 0 HD22 LEU A 103 1.165 -0.904 1.622 1.00 10.00 H new ATOM 0 HD23 LEU A 103 -0.347 -1.218 2.507 1.00 10.00 H new ATOM 415 N ARG A 104 1.745 1.003 5.789 1.00 10.00 N ATOM 416 CA ARG A 104 2.756 0.449 6.680 1.00 10.00 C ATOM 417 C ARG A 104 2.135 -0.193 7.923 1.00 10.00 C ATOM 418 O ARG A 104 2.590 -1.242 8.374 1.00 10.00 O ATOM 419 CB ARG A 104 3.771 1.537 7.040 1.00 10.00 C ATOM 420 CG ARG A 104 5.122 0.916 7.426 1.00 10.00 C ATOM 421 CD ARG A 104 6.204 1.977 7.682 1.00 10.00 C ATOM 422 NE ARG A 104 6.124 3.100 6.720 1.00 10.00 N ATOM 423 CZ ARG A 104 5.852 4.366 7.075 1.00 10.00 C ATOM 424 NH1 ARG A 104 6.026 4.791 8.328 1.00 10.00 N ATOM 425 NH2 ARG A 104 5.356 5.228 6.186 1.00 10.00 N ATOM 0 H ARG A 104 1.840 2.006 5.632 1.00 10.00 H new ATOM 0 HA ARG A 104 3.278 -0.354 6.159 1.00 10.00 H new ATOM 0 HB2 ARG A 104 3.904 2.211 6.194 1.00 10.00 H new ATOM 0 HB3 ARG A 104 3.391 2.136 7.868 1.00 10.00 H new ATOM 0 HG2 ARG A 104 4.996 0.307 8.321 1.00 10.00 H new ATOM 0 HG3 ARG A 104 5.453 0.249 6.630 1.00 10.00 H new ATOM 0 HD2 ARG A 104 6.101 2.362 8.697 1.00 10.00 H new ATOM 0 HD3 ARG A 104 7.188 1.513 7.616 1.00 10.00 H new ATOM 0 HE ARG A 104 6.284 2.901 5.733 1.00 10.00 H new ATOM 0 HH11 ARG A 104 6.373 4.149 9.041 1.00 10.00 H new ATOM 0 HH12 ARG A 104 5.812 5.758 8.573 1.00 10.00 H new ATOM 0 HH21 ARG A 104 5.180 4.927 5.227 1.00 10.00 H new ATOM 0 HH22 ARG A 104 5.152 6.188 6.465 1.00 10.00 H new ATOM 439 N ARG A 105 1.091 0.424 8.480 1.00 10.00 N ATOM 440 CA ARG A 105 0.295 -0.207 9.524 1.00 10.00 C ATOM 441 C ARG A 105 -0.432 -1.448 8.990 1.00 10.00 C ATOM 442 O ARG A 105 -0.437 -2.482 9.650 1.00 10.00 O ATOM 443 CB ARG A 105 -0.685 0.804 10.136 1.00 10.00 C ATOM 444 CG ARG A 105 -0.023 1.638 11.248 1.00 10.00 C ATOM 445 CD ARG A 105 -0.770 1.448 12.578 1.00 10.00 C ATOM 446 NE ARG A 105 0.088 1.743 13.737 1.00 10.00 N ATOM 447 CZ ARG A 105 -0.254 1.477 15.008 1.00 10.00 C ATOM 448 NH1 ARG A 105 -1.516 1.143 15.300 1.00 10.00 N ATOM 449 NH2 ARG A 105 0.666 1.531 15.978 1.00 10.00 N ATOM 0 H ARG A 105 0.780 1.361 8.222 1.00 10.00 H new ATOM 0 HA ARG A 105 0.966 -0.543 10.314 1.00 10.00 H new ATOM 0 HB2 ARG A 105 -1.057 1.468 9.356 1.00 10.00 H new ATOM 0 HB3 ARG A 105 -1.547 0.275 10.542 1.00 10.00 H new ATOM 0 HG2 ARG A 105 1.019 1.340 11.363 1.00 10.00 H new ATOM 0 HG3 ARG A 105 -0.024 2.692 10.970 1.00 10.00 H new ATOM 0 HD2 ARG A 105 -1.645 2.098 12.599 1.00 10.00 H new ATOM 0 HD3 ARG A 105 -1.133 0.423 12.647 1.00 10.00 H new ATOM 0 HE ARG A 105 0.996 2.175 13.565 1.00 10.00 H new ATOM 0 HH11 ARG A 105 -2.214 1.091 14.558 1.00 10.00 H new ATOM 0 HH12 ARG A 105 -1.780 0.940 16.264 1.00 10.00 H new ATOM 0 HH21 ARG A 105 1.631 1.775 15.753 1.00 10.00 H new ATOM 0 HH22 ARG A 105 0.403 1.328 16.942 1.00 10.00 H new ATOM 463 N ALA A 106 -1.054 -1.358 7.815 1.00 10.00 N ATOM 464 CA ALA A 106 -1.866 -2.411 7.226 1.00 10.00 C ATOM 465 C ALA A 106 -1.089 -3.715 7.137 1.00 10.00 C ATOM 466 O ALA A 106 -1.601 -4.772 7.494 1.00 10.00 O ATOM 467 CB ALA A 106 -2.321 -2.011 5.828 1.00 10.00 C ATOM 0 H ALA A 106 -1.002 -0.522 7.232 1.00 10.00 H new ATOM 0 HA ALA A 106 -2.734 -2.556 7.869 1.00 10.00 H new ATOM 0 HB1 ALA A 106 -2.928 -2.809 5.400 1.00 10.00 H new ATOM 0 HB2 ALA A 106 -2.912 -1.097 5.885 1.00 10.00 H new ATOM 0 HB3 ALA A 106 -1.449 -1.840 5.197 1.00 10.00 H new ATOM 473 N MET A 107 0.159 -3.618 6.682 1.00 10.00 N ATOM 474 CA MET A 107 1.117 -4.718 6.680 1.00 10.00 C ATOM 475 C MET A 107 1.139 -5.543 7.977 1.00 10.00 C ATOM 476 O MET A 107 1.383 -6.747 7.931 1.00 10.00 O ATOM 477 CB MET A 107 2.493 -4.150 6.385 1.00 10.00 C ATOM 478 CG MET A 107 2.582 -3.738 4.918 1.00 10.00 C ATOM 479 SD MET A 107 3.148 -5.056 3.826 1.00 10.00 S ATOM 480 CE MET A 107 3.989 -3.987 2.661 1.00 10.00 C ATOM 0 H MET A 107 0.539 -2.753 6.297 1.00 10.00 H new ATOM 0 HA MET A 107 0.803 -5.420 5.908 1.00 10.00 H new ATOM 0 HB2 MET A 107 2.686 -3.289 7.026 1.00 10.00 H new ATOM 0 HB3 MET A 107 3.258 -4.893 6.610 1.00 10.00 H new ATOM 0 HG2 MET A 107 1.601 -3.399 4.585 1.00 10.00 H new ATOM 0 HG3 MET A 107 3.260 -2.889 4.829 1.00 10.00 H new ATOM 0 HE1 MET A 107 4.294 -4.567 1.790 1.00 10.00 H new ATOM 0 HE2 MET A 107 3.316 -3.189 2.348 1.00 10.00 H new ATOM 0 HE3 MET A 107 4.869 -3.553 3.135 1.00 10.00 H new ATOM 490 N ALA A 108 0.858 -4.937 9.138 1.00 10.00 N ATOM 491 CA ALA A 108 0.714 -5.676 10.390 1.00 10.00 C ATOM 492 C ALA A 108 -0.265 -6.845 10.250 1.00 10.00 C ATOM 493 O ALA A 108 -0.036 -7.920 10.796 1.00 10.00 O ATOM 494 CB ALA A 108 0.277 -4.730 11.507 1.00 10.00 C ATOM 0 H ALA A 108 0.726 -3.930 9.232 1.00 10.00 H new ATOM 0 HA ALA A 108 1.685 -6.101 10.645 1.00 10.00 H new ATOM 0 HB1 ALA A 108 0.172 -5.289 12.437 1.00 10.00 H new ATOM 0 HB2 ALA A 108 1.026 -3.949 11.636 1.00 10.00 H new ATOM 0 HB3 ALA A 108 -0.679 -4.276 11.246 1.00 10.00 H new ATOM 500 N GLY A 109 -1.341 -6.632 9.492 1.00 10.00 N ATOM 501 CA GLY A 109 -2.325 -7.643 9.161 1.00 10.00 C ATOM 502 C GLY A 109 -1.735 -8.819 8.378 1.00 10.00 C ATOM 503 O GLY A 109 -2.246 -9.931 8.483 1.00 10.00 O ATOM 0 H GLY A 109 -1.551 -5.721 9.083 1.00 10.00 H new ATOM 0 HA2 GLY A 109 -2.778 -8.016 10.080 1.00 10.00 H new ATOM 0 HA3 GLY A 109 -3.123 -7.187 8.575 1.00 10.00 H new ATOM 507 N LEU A 110 -0.693 -8.588 7.569 1.00 10.00 N ATOM 508 CA LEU A 110 -0.152 -9.608 6.677 1.00 10.00 C ATOM 509 C LEU A 110 0.683 -10.643 7.426 1.00 10.00 C ATOM 510 O LEU A 110 0.518 -11.839 7.198 1.00 10.00 O ATOM 511 CB LEU A 110 0.625 -8.977 5.513 1.00 10.00 C ATOM 512 CG LEU A 110 -0.300 -8.460 4.400 1.00 10.00 C ATOM 513 CD1 LEU A 110 0.501 -7.573 3.441 1.00 10.00 C ATOM 514 CD2 LEU A 110 -0.885 -9.625 3.590 1.00 10.00 C ATOM 0 H LEU A 110 -0.207 -7.692 7.518 1.00 10.00 H new ATOM 0 HA LEU A 110 -0.999 -10.144 6.250 1.00 10.00 H new ATOM 0 HB2 LEU A 110 1.231 -8.153 5.889 1.00 10.00 H new ATOM 0 HB3 LEU A 110 1.312 -9.714 5.097 1.00 10.00 H new ATOM 0 HG LEU A 110 -1.109 -7.898 4.867 1.00 10.00 H new ATOM 0 HD11 LEU A 110 -0.155 -7.206 2.651 1.00 10.00 H new ATOM 0 HD12 LEU A 110 0.917 -6.728 3.989 1.00 10.00 H new ATOM 0 HD13 LEU A 110 1.311 -8.153 2.999 1.00 10.00 H new ATOM 0 HD21 LEU A 110 -1.536 -9.234 2.808 1.00 10.00 H new ATOM 0 HD22 LEU A 110 -0.075 -10.195 3.136 1.00 10.00 H new ATOM 0 HD23 LEU A 110 -1.460 -10.274 4.250 1.00 10.00 H new ATOM 526 N GLY A 111 1.576 -10.204 8.315 1.00 10.00 N ATOM 527 CA GLY A 111 2.431 -11.101 9.075 1.00 10.00 C ATOM 528 C GLY A 111 3.844 -10.556 9.232 1.00 10.00 C ATOM 529 O GLY A 111 4.526 -10.888 10.200 1.00 10.00 O ATOM 0 H GLY A 111 1.722 -9.216 8.524 1.00 10.00 H new ATOM 0 HA2 GLY A 111 1.996 -11.266 10.061 1.00 10.00 H new ATOM 0 HA3 GLY A 111 2.471 -12.070 8.578 1.00 10.00 H new ATOM 533 N GLN A 112 4.274 -9.708 8.297 1.00 10.00 N ATOM 534 CA GLN A 112 5.516 -8.958 8.344 1.00 10.00 C ATOM 535 C GLN A 112 5.194 -7.515 8.773 1.00 10.00 C ATOM 536 O GLN A 112 5.030 -6.655 7.915 1.00 10.00 O ATOM 537 CB GLN A 112 6.297 -9.126 7.013 1.00 10.00 C ATOM 538 CG GLN A 112 5.827 -8.498 5.675 1.00 10.00 C ATOM 539 CD GLN A 112 4.483 -8.921 5.100 1.00 10.00 C ATOM 540 OE1 GLN A 112 3.737 -9.704 5.679 1.00 10.00 O ATOM 541 NE2 GLN A 112 4.171 -8.398 3.922 1.00 10.00 N ATOM 0 H GLN A 112 3.737 -9.521 7.450 1.00 10.00 H new ATOM 0 HA GLN A 112 6.206 -9.342 9.095 1.00 10.00 H new ATOM 0 HB2 GLN A 112 7.304 -8.750 7.195 1.00 10.00 H new ATOM 0 HB3 GLN A 112 6.384 -10.198 6.838 1.00 10.00 H new ATOM 0 HG2 GLN A 112 5.804 -7.416 5.808 1.00 10.00 H new ATOM 0 HG3 GLN A 112 6.589 -8.710 4.925 1.00 10.00 H new ATOM 0 HE21 GLN A 112 4.813 -7.750 3.466 1.00 10.00 H new ATOM 0 HE22 GLN A 112 3.289 -8.644 3.472 1.00 10.00 H new ATOM 550 N PRO A 113 5.030 -7.227 10.080 1.00 10.00 N ATOM 551 CA PRO A 113 4.607 -5.913 10.546 1.00 10.00 C ATOM 552 C PRO A 113 5.721 -4.889 10.360 1.00 10.00 C ATOM 553 O PRO A 113 6.882 -5.196 10.621 1.00 10.00 O ATOM 554 CB PRO A 113 4.289 -6.082 12.037 1.00 10.00 C ATOM 555 CG PRO A 113 5.222 -7.216 12.455 1.00 10.00 C ATOM 556 CD PRO A 113 5.189 -8.117 11.221 1.00 10.00 C ATOM 0 HA PRO A 113 3.745 -5.552 9.984 1.00 10.00 H new ATOM 0 HB2 PRO A 113 4.485 -5.169 12.599 1.00 10.00 H new ATOM 0 HB3 PRO A 113 3.242 -6.338 12.201 1.00 10.00 H new ATOM 0 HG2 PRO A 113 6.228 -6.858 12.674 1.00 10.00 H new ATOM 0 HG3 PRO A 113 4.866 -7.731 13.347 1.00 10.00 H new ATOM 0 HD2 PRO A 113 6.107 -8.699 11.138 1.00 10.00 H new ATOM 0 HD3 PRO A 113 4.365 -8.828 11.279 1.00 10.00 H new ATOM 564 N LEU A 114 5.363 -3.667 9.949 1.00 10.00 N ATOM 565 CA LEU A 114 6.303 -2.565 9.787 1.00 10.00 C ATOM 566 C LEU A 114 7.571 -3.005 9.047 1.00 10.00 C ATOM 567 O LEU A 114 8.684 -2.814 9.543 1.00 10.00 O ATOM 568 CB LEU A 114 6.585 -1.953 11.170 1.00 10.00 C ATOM 569 CG LEU A 114 5.365 -1.132 11.614 1.00 10.00 C ATOM 570 CD1 LEU A 114 5.254 -1.092 13.139 1.00 10.00 C ATOM 571 CD2 LEU A 114 5.490 0.282 11.039 1.00 10.00 C ATOM 0 H LEU A 114 4.401 -3.418 9.718 1.00 10.00 H new ATOM 0 HA LEU A 114 5.865 -1.792 9.155 1.00 10.00 H new ATOM 0 HB2 LEU A 114 6.792 -2.740 11.895 1.00 10.00 H new ATOM 0 HB3 LEU A 114 7.470 -1.318 11.127 1.00 10.00 H new ATOM 0 HG LEU A 114 4.456 -1.601 11.238 1.00 10.00 H new ATOM 0 HD11 LEU A 114 4.382 -0.504 13.425 1.00 10.00 H new ATOM 0 HD12 LEU A 114 5.150 -2.107 13.523 1.00 10.00 H new ATOM 0 HD13 LEU A 114 6.152 -0.636 13.557 1.00 10.00 H new ATOM 0 HD21 LEU A 114 4.630 0.877 11.346 1.00 10.00 H new ATOM 0 HD22 LEU A 114 6.404 0.746 11.410 1.00 10.00 H new ATOM 0 HD23 LEU A 114 5.525 0.230 9.951 1.00 10.00 H new ATOM 583 N PRO A 115 7.423 -3.577 7.842 1.00 10.00 N ATOM 584 CA PRO A 115 8.544 -4.108 7.101 1.00 10.00 C ATOM 585 C PRO A 115 9.240 -2.933 6.438 1.00 10.00 C ATOM 586 O PRO A 115 9.002 -2.661 5.266 1.00 10.00 O ATOM 587 CB PRO A 115 7.913 -5.055 6.086 1.00 10.00 C ATOM 588 CG PRO A 115 6.576 -4.379 5.756 1.00 10.00 C ATOM 589 CD PRO A 115 6.193 -3.691 7.067 1.00 10.00 C ATOM 0 HA PRO A 115 9.286 -4.636 7.699 1.00 10.00 H new ATOM 0 HB2 PRO A 115 8.537 -5.168 5.199 1.00 10.00 H new ATOM 0 HB3 PRO A 115 7.768 -6.052 6.502 1.00 10.00 H new ATOM 0 HG2 PRO A 115 6.679 -3.662 4.941 1.00 10.00 H new ATOM 0 HG3 PRO A 115 5.824 -5.105 5.449 1.00 10.00 H new ATOM 0 HD2 PRO A 115 5.759 -2.709 6.879 1.00 10.00 H new ATOM 0 HD3 PRO A 115 5.445 -4.272 7.607 1.00 10.00 H new ATOM 597 N GLN A 116 10.043 -2.198 7.206 1.00 10.00 N ATOM 598 CA GLN A 116 10.550 -0.889 6.821 1.00 10.00 C ATOM 599 C GLN A 116 11.054 -0.849 5.373 1.00 10.00 C ATOM 600 O GLN A 116 10.779 0.117 4.672 1.00 10.00 O ATOM 601 CB GLN A 116 11.618 -0.433 7.827 1.00 10.00 C ATOM 602 CG GLN A 116 12.109 1.003 7.589 1.00 10.00 C ATOM 603 CD GLN A 116 10.977 2.028 7.611 1.00 10.00 C ATOM 604 OE1 GLN A 116 10.679 2.616 8.645 1.00 10.00 O ATOM 605 NE2 GLN A 116 10.328 2.253 6.471 1.00 10.00 N ATOM 0 H GLN A 116 10.362 -2.503 8.126 1.00 10.00 H new ATOM 0 HA GLN A 116 9.721 -0.182 6.851 1.00 10.00 H new ATOM 0 HB2 GLN A 116 11.211 -0.507 8.836 1.00 10.00 H new ATOM 0 HB3 GLN A 116 12.468 -1.113 7.775 1.00 10.00 H new ATOM 0 HG2 GLN A 116 12.842 1.262 8.353 1.00 10.00 H new ATOM 0 HG3 GLN A 116 12.619 1.053 6.627 1.00 10.00 H new ATOM 0 HE21 GLN A 116 10.595 1.751 5.624 1.00 10.00 H new ATOM 0 HE22 GLN A 116 9.563 2.928 6.444 1.00 10.00 H new ATOM 614 N GLU A 117 11.755 -1.903 4.956 1.00 10.00 N ATOM 615 CA GLU A 117 12.262 -2.223 3.619 1.00 10.00 C ATOM 616 C GLU A 117 11.187 -2.553 2.583 1.00 10.00 C ATOM 617 O GLU A 117 11.260 -2.069 1.458 1.00 10.00 O ATOM 618 CB GLU A 117 13.204 -3.414 3.807 1.00 10.00 C ATOM 619 CG GLU A 117 12.433 -4.607 4.392 1.00 10.00 C ATOM 620 CD GLU A 117 13.244 -5.358 5.434 1.00 10.00 C ATOM 621 OE1 GLU A 117 14.154 -6.107 5.022 1.00 10.00 O ATOM 622 OE2 GLU A 117 12.943 -5.135 6.626 1.00 10.00 O ATOM 0 H GLU A 117 12.010 -2.635 5.619 1.00 10.00 H new ATOM 0 HA GLU A 117 12.755 -1.340 3.212 1.00 10.00 H new ATOM 0 HB2 GLU A 117 13.648 -3.691 2.851 1.00 10.00 H new ATOM 0 HB3 GLU A 117 14.023 -3.139 4.471 1.00 10.00 H new ATOM 0 HG2 GLU A 117 11.505 -4.253 4.842 1.00 10.00 H new ATOM 0 HG3 GLU A 117 12.157 -5.289 3.588 1.00 10.00 H new ATOM 629 N GLU A 118 10.202 -3.388 2.913 1.00 10.00 N ATOM 630 CA GLU A 118 9.184 -3.772 1.956 1.00 10.00 C ATOM 631 C GLU A 118 8.347 -2.520 1.731 1.00 10.00 C ATOM 632 O GLU A 118 8.123 -2.111 0.597 1.00 10.00 O ATOM 633 CB GLU A 118 8.398 -4.986 2.472 1.00 10.00 C ATOM 634 CG GLU A 118 7.679 -5.769 1.368 1.00 10.00 C ATOM 635 CD GLU A 118 7.102 -7.069 1.919 1.00 10.00 C ATOM 636 OE1 GLU A 118 6.117 -6.977 2.687 1.00 10.00 O ATOM 637 OE2 GLU A 118 7.668 -8.129 1.581 1.00 10.00 O ATOM 0 H GLU A 118 10.094 -3.807 3.837 1.00 10.00 H new ATOM 0 HA GLU A 118 9.588 -4.106 1.000 1.00 10.00 H new ATOM 0 HB2 GLU A 118 9.082 -5.656 2.994 1.00 10.00 H new ATOM 0 HB3 GLU A 118 7.663 -4.648 3.203 1.00 10.00 H new ATOM 0 HG2 GLU A 118 6.880 -5.161 0.945 1.00 10.00 H new ATOM 0 HG3 GLU A 118 8.375 -5.988 0.558 1.00 10.00 H new ATOM 644 N LEU A 119 7.974 -1.836 2.815 1.00 10.00 N ATOM 645 CA LEU A 119 7.353 -0.534 2.702 1.00 10.00 C ATOM 646 C LEU A 119 8.287 0.497 2.080 1.00 10.00 C ATOM 647 O LEU A 119 7.775 1.360 1.395 1.00 10.00 O ATOM 648 CB LEU A 119 6.742 -0.042 4.020 1.00 10.00 C ATOM 649 CG LEU A 119 5.277 0.414 3.848 1.00 10.00 C ATOM 650 CD1 LEU A 119 5.042 1.564 2.876 1.00 10.00 C ATOM 651 CD2 LEU A 119 4.360 -0.755 3.513 1.00 10.00 C ATOM 0 H LEU A 119 8.094 -2.168 3.772 1.00 10.00 H new ATOM 0 HA LEU A 119 6.517 -0.661 2.014 1.00 10.00 H new ATOM 0 HB2 LEU A 119 6.788 -0.841 4.760 1.00 10.00 H new ATOM 0 HB3 LEU A 119 7.336 0.786 4.407 1.00 10.00 H new ATOM 0 HG LEU A 119 5.024 0.819 4.828 1.00 10.00 H new ATOM 0 HD11 LEU A 119 3.978 1.796 2.838 1.00 10.00 H new ATOM 0 HD12 LEU A 119 5.593 2.442 3.211 1.00 10.00 H new ATOM 0 HD13 LEU A 119 5.387 1.277 1.883 1.00 10.00 H new ATOM 0 HD21 LEU A 119 3.338 -0.395 3.400 1.00 10.00 H new ATOM 0 HD22 LEU A 119 4.687 -1.219 2.582 1.00 10.00 H new ATOM 0 HD23 LEU A 119 4.399 -1.490 4.317 1.00 10.00 H new ATOM 663 N ASP A 120 9.609 0.461 2.277 1.00 10.00 N ATOM 664 CA ASP A 120 10.524 1.373 1.592 1.00 10.00 C ATOM 665 C ASP A 120 10.370 1.220 0.078 1.00 10.00 C ATOM 666 O ASP A 120 10.142 2.163 -0.684 1.00 10.00 O ATOM 667 CB ASP A 120 11.992 1.169 1.975 1.00 10.00 C ATOM 668 CG ASP A 120 12.863 2.170 1.230 1.00 10.00 C ATOM 669 OD1 ASP A 120 12.892 3.336 1.679 1.00 10.00 O ATOM 670 OD2 ASP A 120 13.472 1.755 0.222 1.00 10.00 O ATOM 0 H ASP A 120 10.069 -0.194 2.909 1.00 10.00 H new ATOM 0 HA ASP A 120 10.251 2.379 1.910 1.00 10.00 H new ATOM 0 HB2 ASP A 120 12.117 1.294 3.051 1.00 10.00 H new ATOM 0 HB3 ASP A 120 12.302 0.152 1.734 1.00 10.00 H new ATOM 675 N ALA A 121 10.456 -0.038 -0.331 1.00 10.00 N ATOM 676 CA ALA A 121 10.313 -0.475 -1.696 1.00 10.00 C ATOM 677 C ALA A 121 8.959 0.003 -2.246 1.00 10.00 C ATOM 678 O ALA A 121 8.914 0.743 -3.231 1.00 10.00 O ATOM 679 CB ALA A 121 10.537 -1.991 -1.695 1.00 10.00 C ATOM 0 H ALA A 121 10.635 -0.808 0.314 1.00 10.00 H new ATOM 0 HA ALA A 121 11.046 -0.042 -2.377 1.00 10.00 H new ATOM 0 HB1 ALA A 121 10.439 -2.374 -2.711 1.00 10.00 H new ATOM 0 HB2 ALA A 121 11.536 -2.211 -1.319 1.00 10.00 H new ATOM 0 HB3 ALA A 121 9.795 -2.468 -1.054 1.00 10.00 H new ATOM 685 N MET A 122 7.852 -0.335 -1.573 1.00 10.00 N ATOM 686 CA MET A 122 6.539 0.144 -1.937 1.00 10.00 C ATOM 687 C MET A 122 6.455 1.669 -1.883 1.00 10.00 C ATOM 688 O MET A 122 5.770 2.242 -2.713 1.00 10.00 O ATOM 689 CB MET A 122 5.475 -0.499 -1.042 1.00 10.00 C ATOM 690 CG MET A 122 5.380 -2.028 -1.148 1.00 10.00 C ATOM 691 SD MET A 122 5.568 -2.745 -2.796 1.00 10.00 S ATOM 692 CE MET A 122 6.245 -4.357 -2.339 1.00 10.00 C ATOM 0 H MET A 122 7.856 -0.951 -0.760 1.00 10.00 H new ATOM 0 HA MET A 122 6.350 -0.148 -2.970 1.00 10.00 H new ATOM 0 HB2 MET A 122 5.684 -0.233 -0.006 1.00 10.00 H new ATOM 0 HB3 MET A 122 4.504 -0.071 -1.291 1.00 10.00 H new ATOM 0 HG2 MET A 122 6.142 -2.461 -0.500 1.00 10.00 H new ATOM 0 HG3 MET A 122 4.412 -2.336 -0.752 1.00 10.00 H new ATOM 0 HE1 MET A 122 6.509 -4.910 -3.241 1.00 10.00 H new ATOM 0 HE2 MET A 122 7.135 -4.217 -1.725 1.00 10.00 H new ATOM 0 HE3 MET A 122 5.500 -4.918 -1.775 1.00 10.00 H new ATOM 702 N ILE A 123 7.125 2.335 -0.941 1.00 10.00 N ATOM 703 CA ILE A 123 7.157 3.787 -0.808 1.00 10.00 C ATOM 704 C ILE A 123 7.642 4.363 -2.132 1.00 10.00 C ATOM 705 O ILE A 123 6.991 5.238 -2.698 1.00 10.00 O ATOM 706 CB ILE A 123 8.011 4.237 0.413 1.00 10.00 C ATOM 707 CG1 ILE A 123 7.106 4.420 1.638 1.00 10.00 C ATOM 708 CG2 ILE A 123 8.783 5.545 0.171 1.00 10.00 C ATOM 709 CD1 ILE A 123 7.853 4.303 2.974 1.00 10.00 C ATOM 0 H ILE A 123 7.678 1.860 -0.227 1.00 10.00 H new ATOM 0 HA ILE A 123 6.160 4.174 -0.600 1.00 10.00 H new ATOM 0 HB ILE A 123 8.747 3.450 0.579 1.00 10.00 H new ATOM 0 HG12 ILE A 123 6.627 5.398 1.583 1.00 10.00 H new ATOM 0 HG13 ILE A 123 6.312 3.674 1.608 1.00 10.00 H new ATOM 0 HG21 ILE A 123 9.356 5.799 1.062 1.00 10.00 H new ATOM 0 HG22 ILE A 123 9.461 5.416 -0.672 1.00 10.00 H new ATOM 0 HG23 ILE A 123 8.079 6.348 -0.049 1.00 10.00 H new ATOM 0 HD11 ILE A 123 7.152 4.443 3.797 1.00 10.00 H new ATOM 0 HD12 ILE A 123 8.310 3.316 3.050 1.00 10.00 H new ATOM 0 HD13 ILE A 123 8.629 5.067 3.025 1.00 10.00 H new ATOM 721 N ARG A 124 8.777 3.867 -2.632 1.00 10.00 N ATOM 722 CA ARG A 124 9.331 4.410 -3.858 1.00 10.00 C ATOM 723 C ARG A 124 8.462 4.054 -5.066 1.00 10.00 C ATOM 724 O ARG A 124 8.210 4.915 -5.906 1.00 10.00 O ATOM 725 CB ARG A 124 10.797 3.997 -4.039 1.00 10.00 C ATOM 726 CG ARG A 124 11.485 5.087 -4.868 1.00 10.00 C ATOM 727 CD ARG A 124 12.943 4.754 -5.180 1.00 10.00 C ATOM 728 NE ARG A 124 13.583 5.907 -5.832 1.00 10.00 N ATOM 729 CZ ARG A 124 14.831 5.927 -6.323 1.00 10.00 C ATOM 730 NH1 ARG A 124 15.585 4.824 -6.262 1.00 10.00 N ATOM 731 NH2 ARG A 124 15.314 7.049 -6.870 1.00 10.00 N ATOM 0 H ARG A 124 9.314 3.108 -2.213 1.00 10.00 H new ATOM 0 HA ARG A 124 9.324 5.497 -3.780 1.00 10.00 H new ATOM 0 HB2 ARG A 124 11.286 3.886 -3.071 1.00 10.00 H new ATOM 0 HB3 ARG A 124 10.864 3.033 -4.543 1.00 10.00 H new ATOM 0 HG2 ARG A 124 10.940 5.227 -5.802 1.00 10.00 H new ATOM 0 HG3 ARG A 124 11.440 6.033 -4.328 1.00 10.00 H new ATOM 0 HD2 ARG A 124 13.474 4.502 -4.262 1.00 10.00 H new ATOM 0 HD3 ARG A 124 12.996 3.880 -5.829 1.00 10.00 H new ATOM 0 HE ARG A 124 13.032 6.761 -5.918 1.00 10.00 H new ATOM 0 HH11 ARG A 124 15.210 3.973 -5.843 1.00 10.00 H new ATOM 0 HH12 ARG A 124 16.535 4.834 -6.634 1.00 10.00 H new ATOM 0 HH21 ARG A 124 14.733 7.886 -6.913 1.00 10.00 H new ATOM 0 HH22 ARG A 124 16.263 7.067 -7.244 1.00 10.00 H new ATOM 745 N GLU A 125 7.996 2.803 -5.160 1.00 10.00 N ATOM 746 CA GLU A 125 7.110 2.398 -6.248 1.00 10.00 C ATOM 747 C GLU A 125 5.795 3.192 -6.225 1.00 10.00 C ATOM 748 O GLU A 125 5.223 3.498 -7.270 1.00 10.00 O ATOM 749 CB GLU A 125 6.833 0.892 -6.165 1.00 10.00 C ATOM 750 CG GLU A 125 8.089 0.052 -6.445 1.00 10.00 C ATOM 751 CD GLU A 125 8.536 0.163 -7.897 1.00 10.00 C ATOM 752 OE1 GLU A 125 7.731 -0.242 -8.763 1.00 10.00 O ATOM 753 OE2 GLU A 125 9.666 0.652 -8.113 1.00 10.00 O ATOM 0 H GLU A 125 8.219 2.060 -4.498 1.00 10.00 H new ATOM 0 HA GLU A 125 7.609 2.616 -7.192 1.00 10.00 H new ATOM 0 HB2 GLU A 125 6.450 0.649 -5.174 1.00 10.00 H new ATOM 0 HB3 GLU A 125 6.055 0.628 -6.881 1.00 10.00 H new ATOM 0 HG2 GLU A 125 8.897 0.379 -5.791 1.00 10.00 H new ATOM 0 HG3 GLU A 125 7.888 -0.992 -6.206 1.00 10.00 H new ATOM 760 N ALA A 126 5.296 3.512 -5.031 1.00 10.00 N ATOM 761 CA ALA A 126 4.017 4.165 -4.807 1.00 10.00 C ATOM 762 C ALA A 126 4.098 5.661 -5.108 1.00 10.00 C ATOM 763 O ALA A 126 3.735 6.474 -4.258 1.00 10.00 O ATOM 764 CB ALA A 126 3.564 3.927 -3.357 1.00 10.00 C ATOM 0 H ALA A 126 5.795 3.314 -4.164 1.00 10.00 H new ATOM 0 HA ALA A 126 3.283 3.734 -5.488 1.00 10.00 H new ATOM 0 HB1 ALA A 126 2.605 4.417 -3.190 1.00 10.00 H new ATOM 0 HB2 ALA A 126 3.460 2.857 -3.179 1.00 10.00 H new ATOM 0 HB3 ALA A 126 4.305 4.338 -2.672 1.00 10.00 H new ATOM 770 N ASP A 127 4.518 6.025 -6.324 1.00 10.00 N ATOM 771 CA ASP A 127 4.521 7.411 -6.776 1.00 10.00 C ATOM 772 C ASP A 127 3.787 7.543 -8.106 1.00 10.00 C ATOM 773 O ASP A 127 4.391 7.626 -9.173 1.00 10.00 O ATOM 774 CB ASP A 127 5.938 7.983 -6.840 1.00 10.00 C ATOM 775 CG ASP A 127 5.891 9.492 -7.036 1.00 10.00 C ATOM 776 OD1 ASP A 127 4.844 10.101 -6.699 1.00 10.00 O ATOM 777 OD2 ASP A 127 6.923 10.062 -7.438 1.00 10.00 O ATOM 0 H ASP A 127 4.864 5.364 -7.019 1.00 10.00 H new ATOM 0 HA ASP A 127 3.982 8.008 -6.041 1.00 10.00 H new ATOM 0 HB2 ASP A 127 6.475 7.745 -5.922 1.00 10.00 H new ATOM 0 HB3 ASP A 127 6.488 7.520 -7.660 1.00 10.00 H new ATOM 782 N VAL A 128 2.460 7.545 -8.024 1.00 10.00 N ATOM 783 CA VAL A 128 1.582 7.789 -9.149 1.00 10.00 C ATOM 784 C VAL A 128 1.737 9.240 -9.618 1.00 10.00 C ATOM 785 O VAL A 128 1.862 9.482 -10.817 1.00 10.00 O ATOM 786 CB VAL A 128 0.129 7.417 -8.795 1.00 10.00 C ATOM 787 CG1 VAL A 128 -0.864 7.844 -9.883 1.00 10.00 C ATOM 788 CG2 VAL A 128 0.026 5.896 -8.619 1.00 10.00 C ATOM 0 H VAL A 128 1.960 7.373 -7.152 1.00 10.00 H new ATOM 0 HA VAL A 128 1.863 7.149 -9.985 1.00 10.00 H new ATOM 0 HB VAL A 128 -0.126 7.943 -7.875 1.00 10.00 H new ATOM 0 HG11 VAL A 128 -1.873 7.559 -9.586 1.00 10.00 H new ATOM 0 HG12 VAL A 128 -0.816 8.925 -10.016 1.00 10.00 H new ATOM 0 HG13 VAL A 128 -0.609 7.352 -10.822 1.00 10.00 H new ATOM 0 HG21 VAL A 128 -1.000 5.627 -8.368 1.00 10.00 H new ATOM 0 HG22 VAL A 128 0.314 5.402 -9.547 1.00 10.00 H new ATOM 0 HG23 VAL A 128 0.691 5.577 -7.816 1.00 10.00 H new ATOM 798 N ASP A 129 1.699 10.200 -8.684 1.00 10.00 N ATOM 799 CA ASP A 129 1.696 11.622 -9.020 1.00 10.00 C ATOM 800 C ASP A 129 3.093 12.127 -9.399 1.00 10.00 C ATOM 801 O ASP A 129 3.339 12.418 -10.567 1.00 10.00 O ATOM 802 CB ASP A 129 1.117 12.460 -7.868 1.00 10.00 C ATOM 803 CG ASP A 129 -0.392 12.308 -7.719 1.00 10.00 C ATOM 804 OD1 ASP A 129 -1.098 12.700 -8.672 1.00 10.00 O ATOM 805 OD2 ASP A 129 -0.811 11.834 -6.642 1.00 10.00 O ATOM 0 H ASP A 129 1.670 10.010 -7.682 1.00 10.00 H new ATOM 0 HA ASP A 129 1.055 11.740 -9.894 1.00 10.00 H new ATOM 0 HB2 ASP A 129 1.600 12.168 -6.935 1.00 10.00 H new ATOM 0 HB3 ASP A 129 1.356 13.510 -8.035 1.00 10.00 H new ATOM 810 N GLN A 130 3.962 12.287 -8.391 1.00 10.00 N ATOM 811 CA GLN A 130 5.279 12.935 -8.375 1.00 10.00 C ATOM 812 C GLN A 130 5.515 13.474 -6.953 1.00 10.00 C ATOM 813 O GLN A 130 5.548 14.683 -6.729 1.00 10.00 O ATOM 814 CB GLN A 130 5.443 14.042 -9.441 1.00 10.00 C ATOM 815 CG GLN A 130 6.174 13.526 -10.690 1.00 10.00 C ATOM 816 CD GLN A 130 6.292 14.589 -11.779 1.00 10.00 C ATOM 817 OE1 GLN A 130 5.900 15.739 -11.607 1.00 10.00 O ATOM 818 NE2 GLN A 130 6.860 14.220 -12.924 1.00 10.00 N ATOM 0 H GLN A 130 3.732 11.925 -7.465 1.00 10.00 H new ATOM 0 HA GLN A 130 6.034 12.195 -8.640 1.00 10.00 H new ATOM 0 HB2 GLN A 130 4.462 14.422 -9.725 1.00 10.00 H new ATOM 0 HB3 GLN A 130 5.997 14.878 -9.015 1.00 10.00 H new ATOM 0 HG2 GLN A 130 7.171 13.186 -10.409 1.00 10.00 H new ATOM 0 HG3 GLN A 130 5.642 12.661 -11.087 1.00 10.00 H new ATOM 0 HE21 GLN A 130 7.180 13.259 -13.048 1.00 10.00 H new ATOM 0 HE22 GLN A 130 6.976 14.898 -13.677 1.00 10.00 H new ATOM 827 N ASP A 131 5.646 12.563 -5.988 1.00 10.00 N ATOM 828 CA ASP A 131 5.778 12.845 -4.559 1.00 10.00 C ATOM 829 C ASP A 131 6.015 11.552 -3.771 1.00 10.00 C ATOM 830 O ASP A 131 6.805 11.528 -2.829 1.00 10.00 O ATOM 831 CB ASP A 131 4.496 13.506 -4.012 1.00 10.00 C ATOM 832 CG ASP A 131 4.631 14.984 -3.674 1.00 10.00 C ATOM 833 OD1 ASP A 131 5.671 15.380 -3.112 1.00 10.00 O ATOM 834 OD2 ASP A 131 3.595 15.674 -3.823 1.00 10.00 O ATOM 0 H ASP A 131 5.664 11.564 -6.191 1.00 10.00 H new ATOM 0 HA ASP A 131 6.627 13.518 -4.439 1.00 10.00 H new ATOM 0 HB2 ASP A 131 3.701 13.388 -4.748 1.00 10.00 H new ATOM 0 HB3 ASP A 131 4.183 12.970 -3.116 1.00 10.00 H new ATOM 839 N GLY A 132 5.240 10.513 -4.091 1.00 10.00 N ATOM 840 CA GLY A 132 5.004 9.346 -3.254 1.00 10.00 C ATOM 841 C GLY A 132 3.524 9.311 -2.872 1.00 10.00 C ATOM 842 O GLY A 132 3.184 9.299 -1.689 1.00 10.00 O ATOM 0 H GLY A 132 4.741 10.465 -4.979 1.00 10.00 H new ATOM 0 HA2 GLY A 132 5.279 8.436 -3.788 1.00 10.00 H new ATOM 0 HA3 GLY A 132 5.625 9.390 -2.359 1.00 10.00 H new ATOM 846 N ARG A 133 2.642 9.354 -3.876 1.00 10.00 N ATOM 847 CA ARG A 133 1.191 9.372 -3.728 1.00 10.00 C ATOM 848 C ARG A 133 0.609 8.295 -4.632 1.00 10.00 C ATOM 849 O ARG A 133 1.138 8.074 -5.715 1.00 10.00 O ATOM 850 CB ARG A 133 0.645 10.731 -4.167 1.00 10.00 C ATOM 851 CG ARG A 133 1.157 11.871 -3.288 1.00 10.00 C ATOM 852 CD ARG A 133 0.620 13.211 -3.806 1.00 10.00 C ATOM 853 NE ARG A 133 1.385 14.340 -3.257 1.00 10.00 N ATOM 854 CZ ARG A 133 1.345 14.793 -1.999 1.00 10.00 C ATOM 855 NH1 ARG A 133 0.481 14.266 -1.126 1.00 10.00 N ATOM 856 NH2 ARG A 133 2.184 15.765 -1.639 1.00 10.00 N ATOM 0 H ARG A 133 2.936 9.378 -4.852 1.00 10.00 H new ATOM 0 HA ARG A 133 0.921 9.193 -2.687 1.00 10.00 H new ATOM 0 HB2 ARG A 133 0.929 10.917 -5.203 1.00 10.00 H new ATOM 0 HB3 ARG A 133 -0.444 10.711 -4.134 1.00 10.00 H new ATOM 0 HG2 ARG A 133 0.841 11.717 -2.256 1.00 10.00 H new ATOM 0 HG3 ARG A 133 2.247 11.881 -3.289 1.00 10.00 H new ATOM 0 HD2 ARG A 133 0.671 13.229 -4.895 1.00 10.00 H new ATOM 0 HD3 ARG A 133 -0.431 13.314 -3.534 1.00 10.00 H new ATOM 0 HE ARG A 133 2.009 14.827 -3.900 1.00 10.00 H new ATOM 0 HH11 ARG A 133 -0.148 13.518 -1.419 1.00 10.00 H new ATOM 0 HH12 ARG A 133 0.451 14.611 -0.167 1.00 10.00 H new ATOM 0 HH21 ARG A 133 2.841 16.149 -2.318 1.00 10.00 H new ATOM 0 HH22 ARG A 133 2.169 16.124 -0.684 1.00 10.00 H new ATOM 870 N VAL A 134 -0.453 7.617 -4.196 1.00 10.00 N ATOM 871 CA VAL A 134 -1.008 6.454 -4.879 1.00 10.00 C ATOM 872 C VAL A 134 -2.530 6.426 -4.741 1.00 10.00 C ATOM 873 O VAL A 134 -3.042 6.444 -3.621 1.00 10.00 O ATOM 874 CB VAL A 134 -0.411 5.166 -4.278 1.00 10.00 C ATOM 875 CG1 VAL A 134 0.668 4.554 -5.166 1.00 10.00 C ATOM 876 CG2 VAL A 134 0.250 5.415 -2.923 1.00 10.00 C ATOM 0 H VAL A 134 -0.958 7.866 -3.345 1.00 10.00 H new ATOM 0 HA VAL A 134 -0.754 6.517 -5.937 1.00 10.00 H new ATOM 0 HB VAL A 134 -1.261 4.491 -4.182 1.00 10.00 H new ATOM 0 HG11 VAL A 134 1.055 3.650 -4.697 1.00 10.00 H new ATOM 0 HG12 VAL A 134 0.241 4.305 -6.138 1.00 10.00 H new ATOM 0 HG13 VAL A 134 1.479 5.270 -5.299 1.00 10.00 H new ATOM 0 HG21 VAL A 134 0.656 4.479 -2.539 1.00 10.00 H new ATOM 0 HG22 VAL A 134 1.056 6.140 -3.039 1.00 10.00 H new ATOM 0 HG23 VAL A 134 -0.490 5.804 -2.223 1.00 10.00 H new ATOM 886 N ASN A 135 -3.243 6.303 -5.868 1.00 10.00 N ATOM 887 CA ASN A 135 -4.614 5.819 -5.888 1.00 10.00 C ATOM 888 C ASN A 135 -4.594 4.398 -5.334 1.00 10.00 C ATOM 889 O ASN A 135 -3.856 3.557 -5.854 1.00 10.00 O ATOM 890 CB ASN A 135 -5.137 5.791 -7.329 1.00 10.00 C ATOM 891 CG ASN A 135 -5.685 7.133 -7.799 1.00 10.00 C ATOM 892 OD1 ASN A 135 -4.919 8.013 -8.179 1.00 10.00 O ATOM 893 ND2 ASN A 135 -7.007 7.293 -7.826 1.00 10.00 N ATOM 0 H ASN A 135 -2.877 6.539 -6.790 1.00 10.00 H new ATOM 0 HA ASN A 135 -5.260 6.467 -5.296 1.00 10.00 H new ATOM 0 HB2 ASN A 135 -4.331 5.483 -7.995 1.00 10.00 H new ATOM 0 HB3 ASN A 135 -5.921 5.038 -7.409 1.00 10.00 H new ATOM 0 HD21 ASN A 135 -7.408 8.166 -8.169 1.00 10.00 H new ATOM 0 HD22 ASN A 135 -7.618 6.543 -7.503 1.00 10.00 H new ATOM 900 N TYR A 136 -5.373 4.132 -4.284 1.00 10.00 N ATOM 901 CA TYR A 136 -5.302 2.878 -3.546 1.00 10.00 C ATOM 902 C TYR A 136 -5.407 1.654 -4.476 1.00 10.00 C ATOM 903 O TYR A 136 -4.529 0.789 -4.504 1.00 10.00 O ATOM 904 CB TYR A 136 -6.235 2.914 -2.339 1.00 10.00 C ATOM 905 CG TYR A 136 -7.398 1.974 -2.388 1.00 10.00 C ATOM 906 CD1 TYR A 136 -8.524 2.268 -3.164 1.00 10.00 C ATOM 907 CD2 TYR A 136 -7.288 0.743 -1.733 1.00 10.00 C ATOM 908 CE1 TYR A 136 -9.573 1.348 -3.241 1.00 10.00 C ATOM 909 CE2 TYR A 136 -8.299 -0.209 -1.864 1.00 10.00 C ATOM 910 CZ TYR A 136 -9.424 0.067 -2.671 1.00 10.00 C ATOM 911 OH TYR A 136 -10.264 -0.948 -3.011 1.00 10.00 O ATOM 0 H TYR A 136 -6.070 4.783 -3.924 1.00 10.00 H new ATOM 0 HA TYR A 136 -4.310 2.755 -3.111 1.00 10.00 H new ATOM 0 HB2 TYR A 136 -5.651 2.694 -1.445 1.00 10.00 H new ATOM 0 HB3 TYR A 136 -6.617 3.929 -2.228 1.00 10.00 H new ATOM 0 HD1 TYR A 136 -8.582 3.203 -3.702 1.00 10.00 H new ATOM 0 HD2 TYR A 136 -6.421 0.530 -1.126 1.00 10.00 H new ATOM 0 HE1 TYR A 136 -10.495 1.617 -3.735 1.00 10.00 H new ATOM 0 HE2 TYR A 136 -8.221 -1.155 -1.349 1.00 10.00 H new ATOM 0 HH TYR A 136 -10.227 -1.093 -3.980 1.00 10.00 H new ATOM 921 N GLU A 137 -6.464 1.618 -5.292 1.00 10.00 N ATOM 922 CA GLU A 137 -6.783 0.475 -6.134 1.00 10.00 C ATOM 923 C GLU A 137 -5.788 0.359 -7.287 1.00 10.00 C ATOM 924 O GLU A 137 -5.222 -0.707 -7.527 1.00 10.00 O ATOM 925 CB GLU A 137 -8.235 0.589 -6.620 1.00 10.00 C ATOM 926 CG GLU A 137 -8.733 -0.735 -7.223 1.00 10.00 C ATOM 927 CD GLU A 137 -10.180 -1.036 -6.845 1.00 10.00 C ATOM 928 OE1 GLU A 137 -10.460 -1.021 -5.625 1.00 10.00 O ATOM 929 OE2 GLU A 137 -10.966 -1.297 -7.780 1.00 10.00 O ATOM 0 H GLU A 137 -7.124 2.390 -5.383 1.00 10.00 H new ATOM 0 HA GLU A 137 -6.695 -0.445 -5.556 1.00 10.00 H new ATOM 0 HB2 GLU A 137 -8.877 0.875 -5.787 1.00 10.00 H new ATOM 0 HB3 GLU A 137 -8.309 1.380 -7.366 1.00 10.00 H new ATOM 0 HG2 GLU A 137 -8.645 -0.693 -8.309 1.00 10.00 H new ATOM 0 HG3 GLU A 137 -8.094 -1.550 -6.882 1.00 10.00 H new ATOM 936 N GLU A 138 -5.545 1.465 -7.994 1.00 10.00 N ATOM 937 CA GLU A 138 -4.612 1.464 -9.112 1.00 10.00 C ATOM 938 C GLU A 138 -3.227 1.004 -8.636 1.00 10.00 C ATOM 939 O GLU A 138 -2.543 0.237 -9.315 1.00 10.00 O ATOM 940 CB GLU A 138 -4.586 2.847 -9.786 1.00 10.00 C ATOM 941 CG GLU A 138 -4.251 2.743 -11.281 1.00 10.00 C ATOM 942 CD GLU A 138 -5.377 2.090 -12.079 1.00 10.00 C ATOM 943 OE1 GLU A 138 -6.416 2.764 -12.242 1.00 10.00 O ATOM 944 OE2 GLU A 138 -5.185 0.928 -12.501 1.00 10.00 O ATOM 0 H GLU A 138 -5.982 2.368 -7.809 1.00 10.00 H new ATOM 0 HA GLU A 138 -4.942 0.753 -9.870 1.00 10.00 H new ATOM 0 HB2 GLU A 138 -5.555 3.330 -9.663 1.00 10.00 H new ATOM 0 HB3 GLU A 138 -3.849 3.480 -9.291 1.00 10.00 H new ATOM 0 HG2 GLU A 138 -4.056 3.739 -11.678 1.00 10.00 H new ATOM 0 HG3 GLU A 138 -3.336 2.165 -11.407 1.00 10.00 H new ATOM 951 N PHE A 139 -2.821 1.427 -7.431 1.00 10.00 N ATOM 952 CA PHE A 139 -1.566 0.961 -6.869 1.00 10.00 C ATOM 953 C PHE A 139 -1.563 -0.541 -6.653 1.00 10.00 C ATOM 954 O PHE A 139 -0.627 -1.217 -7.072 1.00 10.00 O ATOM 955 CB PHE A 139 -1.207 1.679 -5.571 1.00 10.00 C ATOM 956 CG PHE A 139 0.153 1.281 -5.003 1.00 10.00 C ATOM 957 CD1 PHE A 139 1.252 1.033 -5.854 1.00 10.00 C ATOM 958 CD2 PHE A 139 0.321 1.151 -3.612 1.00 10.00 C ATOM 959 CE1 PHE A 139 2.464 0.555 -5.331 1.00 10.00 C ATOM 960 CE2 PHE A 139 1.540 0.684 -3.088 1.00 10.00 C ATOM 961 CZ PHE A 139 2.603 0.363 -3.949 1.00 10.00 C ATOM 0 H PHE A 139 -3.339 2.079 -6.843 1.00 10.00 H new ATOM 0 HA PHE A 139 -0.802 1.203 -7.607 1.00 10.00 H new ATOM 0 HB2 PHE A 139 -1.216 2.755 -5.747 1.00 10.00 H new ATOM 0 HB3 PHE A 139 -1.976 1.471 -4.827 1.00 10.00 H new ATOM 0 HD1 PHE A 139 1.160 1.212 -6.915 1.00 10.00 H new ATOM 0 HD2 PHE A 139 -0.488 1.410 -2.945 1.00 10.00 H new ATOM 0 HE1 PHE A 139 3.289 0.335 -5.993 1.00 10.00 H new ATOM 0 HE2 PHE A 139 1.659 0.572 -2.020 1.00 10.00 H new ATOM 0 HZ PHE A 139 3.525 -0.031 -3.547 1.00 10.00 H new ATOM 971 N ALA A 140 -2.611 -1.062 -6.016 1.00 10.00 N ATOM 972 CA ALA A 140 -2.779 -2.500 -5.893 1.00 10.00 C ATOM 973 C ALA A 140 -2.598 -3.168 -7.258 1.00 10.00 C ATOM 974 O ALA A 140 -1.873 -4.151 -7.378 1.00 10.00 O ATOM 975 CB ALA A 140 -4.150 -2.796 -5.301 1.00 10.00 C ATOM 0 H ALA A 140 -3.350 -0.509 -5.581 1.00 10.00 H new ATOM 0 HA ALA A 140 -2.021 -2.908 -5.225 1.00 10.00 H new ATOM 0 HB1 ALA A 140 -4.281 -3.874 -5.207 1.00 10.00 H new ATOM 0 HB2 ALA A 140 -4.229 -2.334 -4.317 1.00 10.00 H new ATOM 0 HB3 ALA A 140 -4.923 -2.393 -5.955 1.00 10.00 H new ATOM 981 N ARG A 141 -3.215 -2.593 -8.293 1.00 10.00 N ATOM 982 CA ARG A 141 -3.074 -3.042 -9.670 1.00 10.00 C ATOM 983 C ARG A 141 -1.601 -3.107 -10.094 1.00 10.00 C ATOM 984 O ARG A 141 -1.137 -4.150 -10.553 1.00 10.00 O ATOM 985 CB ARG A 141 -3.937 -2.161 -10.596 1.00 10.00 C ATOM 986 CG ARG A 141 -4.767 -2.993 -11.585 1.00 10.00 C ATOM 987 CD ARG A 141 -6.098 -2.297 -11.912 1.00 10.00 C ATOM 988 NE ARG A 141 -7.053 -3.241 -12.513 1.00 10.00 N ATOM 989 CZ ARG A 141 -6.966 -3.743 -13.754 1.00 10.00 C ATOM 990 NH1 ARG A 141 -6.055 -3.257 -14.603 1.00 10.00 N ATOM 991 NH2 ARG A 141 -7.783 -4.735 -14.128 1.00 10.00 N ATOM 0 H ARG A 141 -3.835 -1.790 -8.191 1.00 10.00 H new ATOM 0 HA ARG A 141 -3.444 -4.064 -9.755 1.00 10.00 H new ATOM 0 HB2 ARG A 141 -4.605 -1.547 -9.991 1.00 10.00 H new ATOM 0 HB3 ARG A 141 -3.292 -1.479 -11.150 1.00 10.00 H new ATOM 0 HG2 ARG A 141 -4.199 -3.147 -12.502 1.00 10.00 H new ATOM 0 HG3 ARG A 141 -4.962 -3.978 -11.162 1.00 10.00 H new ATOM 0 HD2 ARG A 141 -6.524 -1.873 -11.003 1.00 10.00 H new ATOM 0 HD3 ARG A 141 -5.920 -1.468 -12.597 1.00 10.00 H new ATOM 0 HE ARG A 141 -7.844 -3.537 -11.941 1.00 10.00 H new ATOM 0 HH11 ARG A 141 -5.430 -2.508 -14.306 1.00 10.00 H new ATOM 0 HH12 ARG A 141 -5.985 -3.635 -15.548 1.00 10.00 H new ATOM 0 HH21 ARG A 141 -8.469 -5.106 -13.470 1.00 10.00 H new ATOM 0 HH22 ARG A 141 -7.720 -5.119 -15.071 1.00 10.00 H new ATOM 1005 N MET A 142 -0.827 -2.035 -9.913 1.00 10.00 N ATOM 1006 CA MET A 142 0.588 -2.067 -10.237 1.00 10.00 C ATOM 1007 C MET A 142 1.356 -3.073 -9.372 1.00 10.00 C ATOM 1008 O MET A 142 2.252 -3.732 -9.883 1.00 10.00 O ATOM 1009 CB MET A 142 1.155 -0.649 -10.204 1.00 10.00 C ATOM 1010 CG MET A 142 2.672 -0.648 -10.392 1.00 10.00 C ATOM 1011 SD MET A 142 3.436 0.940 -10.813 1.00 10.00 S ATOM 1012 CE MET A 142 3.218 1.840 -9.264 1.00 10.00 C ATOM 0 H MET A 142 -1.159 -1.143 -9.546 1.00 10.00 H new ATOM 0 HA MET A 142 0.717 -2.437 -11.254 1.00 10.00 H new ATOM 0 HB2 MET A 142 0.690 -0.052 -10.988 1.00 10.00 H new ATOM 0 HB3 MET A 142 0.905 -0.178 -9.253 1.00 10.00 H new ATOM 0 HG2 MET A 142 3.130 -1.013 -9.472 1.00 10.00 H new ATOM 0 HG3 MET A 142 2.919 -1.363 -11.177 1.00 10.00 H new ATOM 0 HE1 MET A 142 3.639 2.841 -9.362 1.00 10.00 H new ATOM 0 HE2 MET A 142 2.155 1.914 -9.033 1.00 10.00 H new ATOM 0 HE3 MET A 142 3.728 1.309 -8.460 1.00 10.00 H new ATOM 1022 N LEU A 143 1.013 -3.249 -8.093 1.00 10.00 N ATOM 1023 CA LEU A 143 1.556 -4.311 -7.265 1.00 10.00 C ATOM 1024 C LEU A 143 0.985 -5.689 -7.592 1.00 10.00 C ATOM 1025 O LEU A 143 1.428 -6.696 -7.049 1.00 10.00 O ATOM 1026 CB LEU A 143 1.476 -3.888 -5.787 1.00 10.00 C ATOM 1027 CG LEU A 143 2.869 -3.531 -5.240 1.00 10.00 C ATOM 1028 CD1 LEU A 143 3.471 -4.824 -4.716 1.00 10.00 C ATOM 1029 CD2 LEU A 143 3.867 -2.933 -6.245 1.00 10.00 C ATOM 0 H LEU A 143 0.346 -2.650 -7.607 1.00 10.00 H new ATOM 0 HA LEU A 143 2.612 -4.448 -7.497 1.00 10.00 H new ATOM 0 HB2 LEU A 143 0.811 -3.030 -5.686 1.00 10.00 H new ATOM 0 HB3 LEU A 143 1.046 -4.697 -5.196 1.00 10.00 H new ATOM 0 HG LEU A 143 2.712 -2.752 -4.494 1.00 10.00 H new ATOM 0 HD11 LEU A 143 4.465 -4.626 -4.314 1.00 10.00 H new ATOM 0 HD12 LEU A 143 2.835 -5.228 -3.928 1.00 10.00 H new ATOM 0 HD13 LEU A 143 3.545 -5.546 -5.529 1.00 10.00 H new ATOM 0 HD21 LEU A 143 4.810 -2.724 -5.740 1.00 10.00 H new ATOM 0 HD22 LEU A 143 4.038 -3.643 -7.054 1.00 10.00 H new ATOM 0 HD23 LEU A 143 3.461 -2.007 -6.654 1.00 10.00 H new ATOM 1041 N ALA A 144 0.073 -5.767 -8.552 1.00 10.00 N ATOM 1042 CA ALA A 144 -0.180 -6.982 -9.303 1.00 10.00 C ATOM 1043 C ALA A 144 0.836 -7.074 -10.439 1.00 10.00 C ATOM 1044 O ALA A 144 1.491 -8.104 -10.592 1.00 10.00 O ATOM 1045 CB ALA A 144 -1.613 -6.963 -9.828 1.00 10.00 C ATOM 0 H ALA A 144 -0.514 -4.981 -8.831 1.00 10.00 H new ATOM 0 HA ALA A 144 -0.070 -7.861 -8.668 1.00 10.00 H new ATOM 0 HB1 ALA A 144 -1.806 -7.875 -10.393 1.00 10.00 H new ATOM 0 HB2 ALA A 144 -2.307 -6.902 -8.990 1.00 10.00 H new ATOM 0 HB3 ALA A 144 -1.751 -6.098 -10.477 1.00 10.00 H new