USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 441 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 97 ASN : amide:sc=-0.00753 X(o=-0.0075,f=-0.18) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS :FLIP no HD1:sc= -1.16 F(o=-3!,f=-1.2) USER MOD Single : A 109 MET CE :methyl 171:sc= -7.74! (180deg=-8.22!) USER MOD Single : A 110 THR OG1 : rot 130:sc= 0.813 USER MOD Single : A 111 ASN : amide:sc= -7.19! C(o=-7.2!,f=-12!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.27 USER MOD Single : A 124 MET CE :methyl 157:sc= -0.651 (180deg=-2.69!) USER MOD Single : A 135 GLN : amide:sc= -4.06! C(o=-4.1!,f=-4.8!) USER MOD Single : A 137 ASN : amide:sc= -6.98! C(o=-7!,f=-16!) USER MOD Single : A 138 TYR OH : rot 87:sc= -2.19! USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 MET CE :methyl -99:sc= -4.77! (180deg=-9.83!) USER MOD Single : A 145 MET CE :methyl -133:sc= -16.5! (180deg=-21.1!) USER MOD Single : A 146 THR OG1 : rot -54:sc= 0.697 USER MOD ----------------------------------------------------------------- ATOM 91 N GLU A 82 -6.591 -2.519 -7.924 1.00 0.00 N ATOM 92 CA GLU A 82 -6.420 -1.792 -6.635 1.00 0.00 C ATOM 93 C GLU A 82 -7.771 -1.702 -5.920 1.00 0.00 C ATOM 94 O GLU A 82 -7.992 -0.836 -5.098 1.00 0.00 O ATOM 95 CB GLU A 82 -5.886 -0.382 -6.900 1.00 0.00 C ATOM 96 CG GLU A 82 -4.972 -0.404 -8.127 1.00 0.00 C ATOM 97 CD GLU A 82 -4.131 0.873 -8.158 1.00 0.00 C ATOM 98 OE1 GLU A 82 -3.307 1.037 -7.274 1.00 0.00 O ATOM 99 OE2 GLU A 82 -4.326 1.665 -9.065 1.00 0.00 O ATOM 0 HA GLU A 82 -5.709 -2.331 -6.009 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.714 0.307 -7.063 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.337 -0.020 -6.031 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.323 -1.279 -8.095 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.568 -0.482 -9.036 1.00 0.00 H new ATOM 106 N GLU A 83 -8.674 -2.596 -6.221 1.00 0.00 N ATOM 107 CA GLU A 83 -10.003 -2.562 -5.549 1.00 0.00 C ATOM 108 C GLU A 83 -9.851 -3.111 -4.125 1.00 0.00 C ATOM 109 O GLU A 83 -10.279 -2.502 -3.165 1.00 0.00 O ATOM 110 CB GLU A 83 -11.012 -3.392 -6.370 1.00 0.00 C ATOM 111 CG GLU A 83 -11.268 -4.752 -5.714 1.00 0.00 C ATOM 112 CD GLU A 83 -12.387 -5.480 -6.461 1.00 0.00 C ATOM 113 OE1 GLU A 83 -12.266 -5.634 -7.665 1.00 0.00 O ATOM 114 OE2 GLU A 83 -13.346 -5.870 -5.816 1.00 0.00 O ATOM 0 H GLU A 83 -8.549 -3.346 -6.901 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.378 -1.540 -5.488 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.951 -2.845 -6.459 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -10.631 -3.538 -7.381 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.358 -5.351 -5.729 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.544 -4.616 -4.668 1.00 0.00 H new ATOM 121 N GLU A 84 -9.234 -4.253 -3.986 1.00 0.00 N ATOM 122 CA GLU A 84 -9.041 -4.835 -2.629 1.00 0.00 C ATOM 123 C GLU A 84 -7.937 -4.060 -1.909 1.00 0.00 C ATOM 124 O GLU A 84 -7.905 -3.984 -0.697 1.00 0.00 O ATOM 125 CB GLU A 84 -8.637 -6.305 -2.756 1.00 0.00 C ATOM 126 CG GLU A 84 -9.014 -7.051 -1.475 1.00 0.00 C ATOM 127 CD GLU A 84 -7.944 -8.097 -1.158 1.00 0.00 C ATOM 128 OE1 GLU A 84 -7.584 -8.839 -2.056 1.00 0.00 O ATOM 129 OE2 GLU A 84 -7.501 -8.136 -0.022 1.00 0.00 O ATOM 0 H GLU A 84 -8.856 -4.807 -4.754 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.969 -4.766 -2.062 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.136 -6.757 -3.613 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.564 -6.384 -2.933 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.107 -6.348 -0.647 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.984 -7.533 -1.595 1.00 0.00 H new ATOM 136 N ILE A 85 -7.035 -3.481 -2.652 1.00 0.00 N ATOM 137 CA ILE A 85 -5.930 -2.704 -2.025 1.00 0.00 C ATOM 138 C ILE A 85 -6.482 -1.391 -1.472 1.00 0.00 C ATOM 139 O ILE A 85 -6.475 -1.157 -0.280 1.00 0.00 O ATOM 140 CB ILE A 85 -4.866 -2.400 -3.079 1.00 0.00 C ATOM 141 CG1 ILE A 85 -4.138 -3.694 -3.449 1.00 0.00 C ATOM 142 CG2 ILE A 85 -3.865 -1.389 -2.516 1.00 0.00 C ATOM 143 CD1 ILE A 85 -4.850 -4.368 -4.623 1.00 0.00 C ATOM 0 H ILE A 85 -7.016 -3.513 -3.671 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.489 -3.285 -1.215 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.339 -1.982 -3.968 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.103 -3.477 -3.715 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.113 -4.367 -2.592 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.106 -1.172 -3.267 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.387 -0.469 -2.251 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.388 -1.805 -1.628 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -4.329 -5.289 -4.884 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.877 -4.599 -4.341 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -4.852 -3.696 -5.482 1.00 0.00 H new ATOM 155 N ARG A 86 -6.956 -0.525 -2.328 1.00 0.00 N ATOM 156 CA ARG A 86 -7.500 0.770 -1.840 1.00 0.00 C ATOM 157 C ARG A 86 -8.406 0.507 -0.634 1.00 0.00 C ATOM 158 O ARG A 86 -8.401 1.250 0.319 1.00 0.00 O ATOM 159 CB ARG A 86 -8.265 1.481 -2.978 1.00 0.00 C ATOM 160 CG ARG A 86 -9.780 1.420 -2.764 1.00 0.00 C ATOM 161 CD ARG A 86 -10.200 2.480 -1.741 1.00 0.00 C ATOM 162 NE ARG A 86 -11.514 2.095 -1.154 1.00 0.00 N ATOM 163 CZ ARG A 86 -12.600 2.181 -1.872 1.00 0.00 C ATOM 164 NH1 ARG A 86 -12.738 3.151 -2.736 1.00 0.00 N ATOM 165 NH2 ARG A 86 -13.548 1.296 -1.730 1.00 0.00 N ATOM 0 H ARG A 86 -6.989 -0.660 -3.339 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.688 1.426 -1.528 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -7.947 2.522 -3.036 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.013 1.017 -3.932 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -10.297 1.587 -3.709 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -10.068 0.429 -2.414 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -9.448 2.565 -0.957 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -10.273 3.457 -2.219 1.00 0.00 H new ATOM 0 HE ARG A 86 -11.565 1.764 -0.191 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -11.996 3.842 -2.850 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -13.587 3.217 -3.297 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -13.440 0.537 -1.058 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -14.397 1.363 -2.291 1.00 0.00 H new ATOM 179 N GLU A 87 -9.177 -0.546 -0.659 1.00 0.00 N ATOM 180 CA GLU A 87 -10.060 -0.837 0.502 1.00 0.00 C ATOM 181 C GLU A 87 -9.176 -1.099 1.719 1.00 0.00 C ATOM 182 O GLU A 87 -9.317 -0.472 2.750 1.00 0.00 O ATOM 183 CB GLU A 87 -10.914 -2.070 0.197 1.00 0.00 C ATOM 184 CG GLU A 87 -11.583 -2.560 1.481 1.00 0.00 C ATOM 185 CD GLU A 87 -12.671 -1.571 1.901 1.00 0.00 C ATOM 186 OE1 GLU A 87 -13.464 -1.198 1.052 1.00 0.00 O ATOM 187 OE2 GLU A 87 -12.693 -1.203 3.064 1.00 0.00 O ATOM 0 H GLU A 87 -9.233 -1.213 -1.429 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.723 0.006 0.699 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.670 -1.826 -0.549 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -10.293 -2.860 -0.226 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.016 -3.548 1.323 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.842 -2.660 2.274 1.00 0.00 H new ATOM 194 N ALA A 88 -8.244 -2.004 1.593 1.00 0.00 N ATOM 195 CA ALA A 88 -7.321 -2.288 2.724 1.00 0.00 C ATOM 196 C ALA A 88 -6.167 -1.293 2.634 1.00 0.00 C ATOM 197 O ALA A 88 -5.055 -1.639 2.299 1.00 0.00 O ATOM 198 CB ALA A 88 -6.786 -3.713 2.609 1.00 0.00 C ATOM 0 H ALA A 88 -8.083 -2.559 0.753 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.839 -2.191 3.678 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.110 -3.916 3.440 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.618 -4.417 2.637 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.248 -3.825 1.668 1.00 0.00 H new ATOM 204 N PHE A 89 -6.457 -0.054 2.910 1.00 0.00 N ATOM 205 CA PHE A 89 -5.436 1.031 2.832 1.00 0.00 C ATOM 206 C PHE A 89 -6.187 2.362 2.898 1.00 0.00 C ATOM 207 O PHE A 89 -5.646 3.380 3.283 1.00 0.00 O ATOM 208 CB PHE A 89 -4.669 0.947 1.499 1.00 0.00 C ATOM 209 CG PHE A 89 -3.213 1.318 1.704 1.00 0.00 C ATOM 210 CD1 PHE A 89 -2.528 0.899 2.853 1.00 0.00 C ATOM 211 CD2 PHE A 89 -2.548 2.090 0.742 1.00 0.00 C ATOM 212 CE1 PHE A 89 -1.186 1.254 3.037 1.00 0.00 C ATOM 213 CE2 PHE A 89 -1.207 2.445 0.928 1.00 0.00 C ATOM 214 CZ PHE A 89 -0.528 2.028 2.076 1.00 0.00 C ATOM 0 H PHE A 89 -7.384 0.262 3.194 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.719 0.937 3.647 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.740 -0.062 1.094 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.122 1.617 0.768 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.035 0.302 3.597 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.072 2.412 -0.146 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.659 0.930 3.922 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.697 3.041 0.185 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.506 2.304 2.221 1.00 0.00 H new ATOM 224 N ARG A 90 -7.448 2.349 2.537 1.00 0.00 N ATOM 225 CA ARG A 90 -8.262 3.581 2.587 1.00 0.00 C ATOM 226 C ARG A 90 -8.570 3.895 4.043 1.00 0.00 C ATOM 227 O ARG A 90 -8.944 4.993 4.397 1.00 0.00 O ATOM 228 CB ARG A 90 -9.570 3.359 1.826 1.00 0.00 C ATOM 229 CG ARG A 90 -10.430 2.316 2.544 1.00 0.00 C ATOM 230 CD ARG A 90 -11.913 2.675 2.391 1.00 0.00 C ATOM 231 NE ARG A 90 -12.111 3.528 1.181 1.00 0.00 N ATOM 232 CZ ARG A 90 -13.176 4.275 1.077 1.00 0.00 C ATOM 233 NH1 ARG A 90 -13.265 5.382 1.761 1.00 0.00 N ATOM 234 NH2 ARG A 90 -14.151 3.913 0.289 1.00 0.00 N ATOM 0 H ARG A 90 -7.944 1.521 2.207 1.00 0.00 H new ATOM 0 HA ARG A 90 -7.719 4.409 2.131 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.117 4.299 1.746 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.356 3.027 0.810 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.241 1.326 2.129 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.163 2.275 3.600 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -12.509 1.766 2.306 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -12.261 3.203 3.279 1.00 0.00 H new ATOM 0 HE ARG A 90 -11.414 3.527 0.436 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -12.502 5.664 2.377 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -14.097 5.966 1.680 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -14.080 3.047 -0.245 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -14.984 4.496 0.207 1.00 0.00 H new ATOM 248 N VAL A 91 -8.417 2.919 4.889 1.00 0.00 N ATOM 249 CA VAL A 91 -8.695 3.127 6.329 1.00 0.00 C ATOM 250 C VAL A 91 -7.894 4.325 6.826 1.00 0.00 C ATOM 251 O VAL A 91 -8.243 4.966 7.797 1.00 0.00 O ATOM 252 CB VAL A 91 -8.271 1.881 7.100 1.00 0.00 C ATOM 253 CG1 VAL A 91 -8.469 2.112 8.597 1.00 0.00 C ATOM 254 CG2 VAL A 91 -9.121 0.693 6.642 1.00 0.00 C ATOM 0 H VAL A 91 -8.109 1.979 4.640 1.00 0.00 H new ATOM 0 HA VAL A 91 -9.759 3.311 6.480 1.00 0.00 H new ATOM 0 HB VAL A 91 -7.219 1.671 6.908 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -8.166 1.221 9.146 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.863 2.959 8.918 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.520 2.321 8.797 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -8.822 -0.201 7.190 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -10.173 0.902 6.835 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.974 0.530 5.574 1.00 0.00 H new ATOM 264 N PHE A 92 -6.813 4.622 6.166 1.00 0.00 N ATOM 265 CA PHE A 92 -5.967 5.765 6.588 1.00 0.00 C ATOM 266 C PHE A 92 -6.055 6.880 5.542 1.00 0.00 C ATOM 267 O PHE A 92 -6.333 8.020 5.859 1.00 0.00 O ATOM 268 CB PHE A 92 -4.526 5.279 6.708 1.00 0.00 C ATOM 269 CG PHE A 92 -4.452 4.180 7.742 1.00 0.00 C ATOM 270 CD1 PHE A 92 -4.294 4.503 9.095 1.00 0.00 C ATOM 271 CD2 PHE A 92 -4.536 2.836 7.348 1.00 0.00 C ATOM 272 CE1 PHE A 92 -4.220 3.486 10.055 1.00 0.00 C ATOM 273 CE2 PHE A 92 -4.462 1.820 8.309 1.00 0.00 C ATOM 274 CZ PHE A 92 -4.303 2.145 9.662 1.00 0.00 C ATOM 0 H PHE A 92 -6.478 4.117 5.346 1.00 0.00 H new ATOM 0 HA PHE A 92 -6.309 6.155 7.547 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.173 4.911 5.744 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.874 6.105 6.992 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.229 5.537 9.399 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.658 2.585 6.305 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.099 3.736 11.099 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.528 0.785 8.007 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.244 1.361 10.402 1.00 0.00 H new ATOM 284 N ASP A 93 -5.822 6.559 4.298 1.00 0.00 N ATOM 285 CA ASP A 93 -5.895 7.598 3.233 1.00 0.00 C ATOM 286 C ASP A 93 -7.229 7.474 2.494 1.00 0.00 C ATOM 287 O ASP A 93 -7.317 7.724 1.307 1.00 0.00 O ATOM 288 CB ASP A 93 -4.748 7.396 2.241 1.00 0.00 C ATOM 289 CG ASP A 93 -3.773 8.571 2.341 1.00 0.00 C ATOM 290 OD1 ASP A 93 -3.748 9.207 3.382 1.00 0.00 O ATOM 291 OD2 ASP A 93 -3.069 8.815 1.376 1.00 0.00 O ATOM 0 H ASP A 93 -5.584 5.622 3.974 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.816 8.587 3.685 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.230 6.461 2.453 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -5.140 7.320 1.227 1.00 0.00 H new ATOM 337 N ASN A 97 -5.238 11.096 0.611 1.00 0.00 N ATOM 338 CA ASN A 97 -4.553 11.291 -0.701 1.00 0.00 C ATOM 339 C ASN A 97 -4.052 9.956 -1.269 1.00 0.00 C ATOM 340 O ASN A 97 -3.326 9.933 -2.244 1.00 0.00 O ATOM 341 CB ASN A 97 -3.356 12.222 -0.501 1.00 0.00 C ATOM 342 CG ASN A 97 -3.831 13.677 -0.518 1.00 0.00 C ATOM 343 OD1 ASN A 97 -4.459 14.111 -1.464 1.00 0.00 O ATOM 344 ND2 ASN A 97 -3.557 14.452 0.495 1.00 0.00 N ATOM 0 HA ASN A 97 -5.267 11.721 -1.403 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.864 12.000 0.446 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -2.620 12.060 -1.288 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -3.870 15.423 0.494 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -3.030 14.087 1.288 1.00 0.00 H new ATOM 351 N GLY A 98 -4.418 8.847 -0.683 1.00 0.00 N ATOM 352 CA GLY A 98 -3.935 7.542 -1.211 1.00 0.00 C ATOM 353 C GLY A 98 -2.559 7.241 -0.614 1.00 0.00 C ATOM 354 O GLY A 98 -2.308 6.157 -0.125 1.00 0.00 O ATOM 0 H GLY A 98 -5.027 8.790 0.133 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -4.638 6.749 -0.955 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.874 7.575 -2.299 1.00 0.00 H new ATOM 358 N TYR A 99 -1.669 8.201 -0.640 1.00 0.00 N ATOM 359 CA TYR A 99 -0.310 7.982 -0.074 1.00 0.00 C ATOM 360 C TYR A 99 -0.380 8.081 1.446 1.00 0.00 C ATOM 361 O TYR A 99 -0.833 9.064 1.999 1.00 0.00 O ATOM 362 CB TYR A 99 0.660 9.034 -0.646 1.00 0.00 C ATOM 363 CG TYR A 99 0.673 10.278 0.217 1.00 0.00 C ATOM 364 CD1 TYR A 99 1.366 10.272 1.433 1.00 0.00 C ATOM 365 CD2 TYR A 99 -0.006 11.429 -0.197 1.00 0.00 C ATOM 366 CE1 TYR A 99 1.385 11.416 2.234 1.00 0.00 C ATOM 367 CE2 TYR A 99 0.012 12.577 0.606 1.00 0.00 C ATOM 368 CZ TYR A 99 0.706 12.570 1.822 1.00 0.00 C ATOM 369 OH TYR A 99 0.724 13.701 2.613 1.00 0.00 O ATOM 0 H TYR A 99 -1.829 9.129 -1.031 1.00 0.00 H new ATOM 0 HA TYR A 99 0.055 6.991 -0.346 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.665 8.615 -0.704 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.364 9.294 -1.662 1.00 0.00 H new ATOM 0 HD1 TYR A 99 1.887 9.381 1.752 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -0.543 11.433 -1.134 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.923 11.411 3.171 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -0.509 13.467 0.287 1.00 0.00 H new ATOM 0 HH TYR A 99 0.205 14.411 2.180 1.00 0.00 H new ATOM 379 N ILE A 100 0.060 7.062 2.121 1.00 0.00 N ATOM 380 CA ILE A 100 0.017 7.079 3.600 1.00 0.00 C ATOM 381 C ILE A 100 1.435 6.915 4.150 1.00 0.00 C ATOM 382 O ILE A 100 2.378 6.717 3.410 1.00 0.00 O ATOM 383 CB ILE A 100 -0.878 5.942 4.108 1.00 0.00 C ATOM 384 CG1 ILE A 100 -1.108 4.894 3.004 1.00 0.00 C ATOM 385 CG2 ILE A 100 -2.225 6.523 4.539 1.00 0.00 C ATOM 386 CD1 ILE A 100 -2.122 3.867 3.496 1.00 0.00 C ATOM 0 H ILE A 100 0.449 6.215 1.708 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.394 8.029 3.941 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.386 5.457 4.951 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.471 5.377 2.097 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.169 4.403 2.750 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -2.868 5.721 4.902 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -2.069 7.251 5.335 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.700 7.012 3.688 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.290 3.121 2.719 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.739 3.378 4.392 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -3.062 4.367 3.729 1.00 0.00 H new ATOM 398 N SER A 101 1.597 7.000 5.440 1.00 0.00 N ATOM 399 CA SER A 101 2.957 6.861 6.033 1.00 0.00 C ATOM 400 C SER A 101 3.336 5.384 6.130 1.00 0.00 C ATOM 401 O SER A 101 2.514 4.509 5.953 1.00 0.00 O ATOM 402 CB SER A 101 2.954 7.467 7.435 1.00 0.00 C ATOM 403 OG SER A 101 2.728 8.867 7.342 1.00 0.00 O ATOM 0 H SER A 101 0.846 7.160 6.111 1.00 0.00 H new ATOM 0 HA SER A 101 3.679 7.377 5.401 1.00 0.00 H new ATOM 0 HB2 SER A 101 2.178 7.002 8.043 1.00 0.00 H new ATOM 0 HB3 SER A 101 3.906 7.273 7.929 1.00 0.00 H new ATOM 0 HG SER A 101 2.724 9.258 8.241 1.00 0.00 H new ATOM 409 N ALA A 102 4.574 5.098 6.425 1.00 0.00 N ATOM 410 CA ALA A 102 4.989 3.676 6.549 1.00 0.00 C ATOM 411 C ALA A 102 4.155 3.029 7.651 1.00 0.00 C ATOM 412 O ALA A 102 3.601 1.965 7.481 1.00 0.00 O ATOM 413 CB ALA A 102 6.473 3.599 6.913 1.00 0.00 C ATOM 0 H ALA A 102 5.311 5.784 6.584 1.00 0.00 H new ATOM 0 HA ALA A 102 4.833 3.156 5.604 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.772 2.555 7.003 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.064 4.080 6.134 1.00 0.00 H new ATOM 0 HB3 ALA A 102 6.642 4.107 7.862 1.00 0.00 H new ATOM 419 N ALA A 103 4.054 3.673 8.781 1.00 0.00 N ATOM 420 CA ALA A 103 3.248 3.102 9.892 1.00 0.00 C ATOM 421 C ALA A 103 1.878 2.685 9.361 1.00 0.00 C ATOM 422 O ALA A 103 1.255 1.776 9.873 1.00 0.00 O ATOM 423 CB ALA A 103 3.074 4.150 10.993 1.00 0.00 C ATOM 0 H ALA A 103 4.496 4.570 8.981 1.00 0.00 H new ATOM 0 HA ALA A 103 3.760 2.232 10.302 1.00 0.00 H new ATOM 0 HB1 ALA A 103 2.483 3.729 11.806 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.052 4.446 11.371 1.00 0.00 H new ATOM 0 HB3 ALA A 103 2.563 5.023 10.587 1.00 0.00 H new ATOM 429 N GLU A 104 1.403 3.334 8.335 1.00 0.00 N ATOM 430 CA GLU A 104 0.077 2.959 7.777 1.00 0.00 C ATOM 431 C GLU A 104 0.195 1.603 7.083 1.00 0.00 C ATOM 432 O GLU A 104 -0.607 0.715 7.293 1.00 0.00 O ATOM 433 CB GLU A 104 -0.371 4.016 6.767 1.00 0.00 C ATOM 434 CG GLU A 104 -1.337 4.987 7.446 1.00 0.00 C ATOM 435 CD GLU A 104 -0.590 5.786 8.515 1.00 0.00 C ATOM 436 OE1 GLU A 104 -0.277 5.212 9.544 1.00 0.00 O ATOM 437 OE2 GLU A 104 -0.341 6.959 8.284 1.00 0.00 O ATOM 0 H GLU A 104 1.874 4.105 7.861 1.00 0.00 H new ATOM 0 HA GLU A 104 -0.657 2.898 8.580 1.00 0.00 H new ATOM 0 HB2 GLU A 104 0.494 4.556 6.381 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -0.856 3.539 5.915 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -1.769 5.662 6.708 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -2.163 4.438 7.898 1.00 0.00 H new ATOM 444 N LEU A 105 1.189 1.439 6.254 1.00 0.00 N ATOM 445 CA LEU A 105 1.362 0.146 5.539 1.00 0.00 C ATOM 446 C LEU A 105 1.615 -0.990 6.537 1.00 0.00 C ATOM 447 O LEU A 105 0.947 -2.001 6.508 1.00 0.00 O ATOM 448 CB LEU A 105 2.547 0.255 4.586 1.00 0.00 C ATOM 449 CG LEU A 105 2.113 -0.226 3.204 1.00 0.00 C ATOM 450 CD1 LEU A 105 2.352 0.878 2.173 1.00 0.00 C ATOM 451 CD2 LEU A 105 2.924 -1.469 2.824 1.00 0.00 C ATOM 0 H LEU A 105 1.891 2.148 6.041 1.00 0.00 H new ATOM 0 HA LEU A 105 0.452 -0.074 4.981 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.896 1.286 4.534 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.381 -0.346 4.950 1.00 0.00 H new ATOM 0 HG LEU A 105 1.052 -0.473 3.222 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.041 0.530 1.188 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.774 1.761 2.445 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.412 1.131 2.150 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.617 -1.816 1.837 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.985 -1.220 2.807 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.748 -2.257 3.557 1.00 0.00 H new ATOM 463 N ARG A 106 2.575 -0.848 7.410 1.00 0.00 N ATOM 464 CA ARG A 106 2.851 -1.947 8.381 1.00 0.00 C ATOM 465 C ARG A 106 1.536 -2.486 8.943 1.00 0.00 C ATOM 466 O ARG A 106 1.368 -3.672 9.129 1.00 0.00 O ATOM 467 CB ARG A 106 3.715 -1.426 9.529 1.00 0.00 C ATOM 468 CG ARG A 106 3.212 -0.066 9.996 1.00 0.00 C ATOM 469 CD ARG A 106 2.250 -0.249 11.171 1.00 0.00 C ATOM 470 NE ARG A 106 2.578 0.739 12.237 1.00 0.00 N ATOM 471 CZ ARG A 106 2.699 0.347 13.477 1.00 0.00 C ATOM 472 NH1 ARG A 106 1.786 -0.417 14.012 1.00 0.00 N ATOM 473 NH2 ARG A 106 3.734 0.718 14.181 1.00 0.00 N ATOM 0 H ARG A 106 3.175 -0.028 7.494 1.00 0.00 H new ATOM 0 HA ARG A 106 3.381 -2.747 7.864 1.00 0.00 H new ATOM 0 HB2 ARG A 106 3.694 -2.133 10.358 1.00 0.00 H new ATOM 0 HB3 ARG A 106 4.752 -1.346 9.205 1.00 0.00 H new ATOM 0 HG2 ARG A 106 4.052 0.560 10.295 1.00 0.00 H new ATOM 0 HG3 ARG A 106 2.708 0.447 9.177 1.00 0.00 H new ATOM 0 HD2 ARG A 106 1.221 -0.113 10.838 1.00 0.00 H new ATOM 0 HD3 ARG A 106 2.326 -1.263 11.563 1.00 0.00 H new ATOM 0 HE ARG A 106 2.708 1.722 11.998 1.00 0.00 H new ATOM 0 HH11 ARG A 106 0.978 -0.708 13.462 1.00 0.00 H new ATOM 0 HH12 ARG A 106 1.881 -0.723 14.980 1.00 0.00 H new ATOM 0 HH21 ARG A 106 4.448 1.314 13.763 1.00 0.00 H new ATOM 0 HH22 ARG A 106 3.828 0.412 15.149 1.00 0.00 H new ATOM 487 N HIS A 107 0.609 -1.617 9.225 1.00 0.00 N ATOM 488 CA HIS A 107 -0.698 -2.068 9.789 1.00 0.00 C ATOM 489 C HIS A 107 -1.595 -2.643 8.685 1.00 0.00 C ATOM 490 O HIS A 107 -2.364 -3.553 8.917 1.00 0.00 O ATOM 491 CB HIS A 107 -1.408 -0.876 10.436 1.00 0.00 C ATOM 492 CG HIS A 107 -2.733 -1.322 10.988 1.00 0.00 C ATOM 493 ND1 HIS A 107 -3.850 -1.844 10.384 1.00 0.00 N flip ATOM 494 CD2 HIS A 107 -3.032 -1.251 12.340 1.00 0.00 C flip ATOM 495 CE1 HIS A 107 -4.828 -2.093 11.342 1.00 0.00 C flip ATOM 496 NE2 HIS A 107 -4.284 -1.718 12.502 1.00 0.00 N flip ATOM 0 H HIS A 107 0.697 -0.610 9.090 1.00 0.00 H new ATOM 0 HA HIS A 107 -0.508 -2.844 10.531 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -0.791 -0.460 11.233 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -1.556 -0.084 9.701 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -2.380 -0.888 13.120 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -5.815 -2.502 11.182 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -4.760 -1.778 13.402 1.00 0.00 H new ATOM 504 N VAL A 108 -1.524 -2.113 7.493 1.00 0.00 N ATOM 505 CA VAL A 108 -2.401 -2.627 6.396 1.00 0.00 C ATOM 506 C VAL A 108 -1.779 -3.855 5.734 1.00 0.00 C ATOM 507 O VAL A 108 -2.320 -4.941 5.797 1.00 0.00 O ATOM 508 CB VAL A 108 -2.605 -1.535 5.348 1.00 0.00 C ATOM 509 CG1 VAL A 108 -3.863 -1.848 4.541 1.00 0.00 C ATOM 510 CG2 VAL A 108 -2.770 -0.181 6.042 1.00 0.00 C ATOM 0 H VAL A 108 -0.900 -1.350 7.230 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.361 -2.911 6.827 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.740 -1.497 4.686 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -4.016 -1.073 3.790 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.748 -2.813 4.048 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.724 -1.882 5.208 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.915 0.597 5.292 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -3.636 -0.214 6.703 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.876 0.040 6.626 1.00 0.00 H new ATOM 520 N MET A 109 -0.651 -3.702 5.098 1.00 0.00 N ATOM 521 CA MET A 109 -0.014 -4.872 4.438 1.00 0.00 C ATOM 522 C MET A 109 0.023 -6.031 5.427 1.00 0.00 C ATOM 523 O MET A 109 0.101 -7.185 5.055 1.00 0.00 O ATOM 524 CB MET A 109 1.406 -4.519 4.001 1.00 0.00 C ATOM 525 CG MET A 109 1.514 -4.696 2.486 1.00 0.00 C ATOM 526 SD MET A 109 3.058 -5.551 2.082 1.00 0.00 S ATOM 527 CE MET A 109 4.186 -4.394 2.896 1.00 0.00 C ATOM 0 H MET A 109 -0.146 -2.821 5.008 1.00 0.00 H new ATOM 0 HA MET A 109 -0.589 -5.154 3.556 1.00 0.00 H new ATOM 0 HB2 MET A 109 1.642 -3.492 4.279 1.00 0.00 H new ATOM 0 HB3 MET A 109 2.127 -5.160 4.508 1.00 0.00 H new ATOM 0 HG2 MET A 109 0.663 -5.267 2.115 1.00 0.00 H new ATOM 0 HG3 MET A 109 1.485 -3.724 1.993 1.00 0.00 H new ATOM 0 HE1 MET A 109 5.192 -4.814 2.908 1.00 0.00 H new ATOM 0 HE2 MET A 109 4.194 -3.450 2.352 1.00 0.00 H new ATOM 0 HE3 MET A 109 3.853 -4.220 3.919 1.00 0.00 H new ATOM 537 N THR A 110 -0.034 -5.724 6.692 1.00 0.00 N ATOM 538 CA THR A 110 -0.004 -6.787 7.723 1.00 0.00 C ATOM 539 C THR A 110 -1.431 -7.277 8.011 1.00 0.00 C ATOM 540 O THR A 110 -1.799 -7.510 9.146 1.00 0.00 O ATOM 541 CB THR A 110 0.616 -6.209 8.995 1.00 0.00 C ATOM 542 OG1 THR A 110 1.978 -5.891 8.750 1.00 0.00 O ATOM 543 CG2 THR A 110 0.527 -7.229 10.122 1.00 0.00 C ATOM 0 H THR A 110 -0.101 -4.773 7.055 1.00 0.00 H new ATOM 0 HA THR A 110 0.587 -7.632 7.371 1.00 0.00 H new ATOM 0 HB THR A 110 0.075 -5.308 9.284 1.00 0.00 H new ATOM 0 HG1 THR A 110 2.158 -4.974 9.045 1.00 0.00 H new ATOM 0 HG21 THR A 110 0.970 -6.812 11.026 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.519 -7.473 10.310 1.00 0.00 H new ATOM 0 HG23 THR A 110 1.065 -8.133 9.838 1.00 0.00 H new ATOM 551 N ASN A 111 -2.237 -7.463 6.997 1.00 0.00 N ATOM 552 CA ASN A 111 -3.620 -7.968 7.246 1.00 0.00 C ATOM 553 C ASN A 111 -4.380 -8.161 5.926 1.00 0.00 C ATOM 554 O ASN A 111 -5.073 -9.146 5.759 1.00 0.00 O ATOM 555 CB ASN A 111 -4.388 -7.027 8.193 1.00 0.00 C ATOM 556 CG ASN A 111 -4.673 -5.669 7.541 1.00 0.00 C ATOM 557 OD1 ASN A 111 -5.110 -5.592 6.414 1.00 0.00 O ATOM 558 ND2 ASN A 111 -4.464 -4.582 8.231 1.00 0.00 N ATOM 0 H ASN A 111 -2.001 -7.290 6.020 1.00 0.00 H new ATOM 0 HA ASN A 111 -3.540 -8.940 7.732 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -5.329 -7.494 8.485 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -3.809 -6.878 9.105 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -4.669 -3.671 7.821 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -4.096 -4.643 9.180 1.00 0.00 H new ATOM 565 N LEU A 112 -4.272 -7.260 4.980 1.00 0.00 N ATOM 566 CA LEU A 112 -5.016 -7.480 3.698 1.00 0.00 C ATOM 567 C LEU A 112 -4.587 -8.830 3.107 1.00 0.00 C ATOM 568 O LEU A 112 -3.981 -9.637 3.784 1.00 0.00 O ATOM 569 CB LEU A 112 -4.750 -6.355 2.673 1.00 0.00 C ATOM 570 CG LEU A 112 -3.443 -5.602 2.955 1.00 0.00 C ATOM 571 CD1 LEU A 112 -2.328 -6.584 3.308 1.00 0.00 C ATOM 572 CD2 LEU A 112 -3.041 -4.826 1.698 1.00 0.00 C ATOM 0 H LEU A 112 -3.718 -6.405 5.034 1.00 0.00 H new ATOM 0 HA LEU A 112 -6.084 -7.475 3.915 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -4.711 -6.782 1.671 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -5.582 -5.651 2.687 1.00 0.00 H new ATOM 0 HG LEU A 112 -3.596 -4.923 3.794 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -1.408 -6.034 3.505 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -2.610 -7.150 4.196 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -2.170 -7.269 2.475 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -2.113 -4.286 1.885 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -2.896 -5.522 0.872 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -3.828 -4.117 1.441 1.00 0.00 H new ATOM 584 N GLY A 113 -4.886 -9.084 1.855 1.00 0.00 N ATOM 585 CA GLY A 113 -4.478 -10.383 1.239 1.00 0.00 C ATOM 586 C GLY A 113 -3.071 -10.745 1.717 1.00 0.00 C ATOM 587 O GLY A 113 -2.717 -11.903 1.832 1.00 0.00 O ATOM 0 H GLY A 113 -5.393 -8.450 1.237 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -5.182 -11.168 1.515 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -4.497 -10.306 0.152 1.00 0.00 H new ATOM 591 N GLU A 114 -2.271 -9.757 2.013 1.00 0.00 N ATOM 592 CA GLU A 114 -0.892 -10.026 2.503 1.00 0.00 C ATOM 593 C GLU A 114 -0.946 -10.271 4.018 1.00 0.00 C ATOM 594 O GLU A 114 -1.954 -10.704 4.536 1.00 0.00 O ATOM 595 CB GLU A 114 0.008 -8.824 2.195 1.00 0.00 C ATOM 596 CG GLU A 114 0.090 -8.619 0.679 1.00 0.00 C ATOM 597 CD GLU A 114 -1.262 -8.141 0.151 1.00 0.00 C ATOM 598 OE1 GLU A 114 -1.747 -7.136 0.642 1.00 0.00 O ATOM 599 OE2 GLU A 114 -1.793 -8.790 -0.736 1.00 0.00 O ATOM 0 H GLU A 114 -2.516 -8.770 1.935 1.00 0.00 H new ATOM 0 HA GLU A 114 -0.483 -10.905 2.005 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -0.389 -7.928 2.672 1.00 0.00 H new ATOM 0 HB3 GLU A 114 1.005 -8.989 2.604 1.00 0.00 H new ATOM 0 HG2 GLU A 114 0.863 -7.888 0.442 1.00 0.00 H new ATOM 0 HG3 GLU A 114 0.373 -9.552 0.191 1.00 0.00 H new ATOM 606 N LYS A 115 0.130 -9.993 4.719 1.00 0.00 N ATOM 607 CA LYS A 115 0.183 -10.199 6.203 1.00 0.00 C ATOM 608 C LYS A 115 1.614 -10.583 6.584 1.00 0.00 C ATOM 609 O LYS A 115 2.000 -11.731 6.485 1.00 0.00 O ATOM 610 CB LYS A 115 -0.757 -11.329 6.634 1.00 0.00 C ATOM 611 CG LYS A 115 -0.568 -12.535 5.710 1.00 0.00 C ATOM 612 CD LYS A 115 -0.291 -13.782 6.554 1.00 0.00 C ATOM 613 CE LYS A 115 -0.867 -15.015 5.854 1.00 0.00 C ATOM 614 NZ LYS A 115 -0.628 -16.220 6.698 1.00 0.00 N ATOM 0 H LYS A 115 0.991 -9.624 4.315 1.00 0.00 H new ATOM 0 HA LYS A 115 -0.126 -9.279 6.699 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -0.551 -11.613 7.666 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -1.792 -10.989 6.597 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -1.460 -12.685 5.102 1.00 0.00 H new ATOM 0 HG3 LYS A 115 0.260 -12.355 5.024 1.00 0.00 H new ATOM 0 HD2 LYS A 115 0.782 -13.903 6.701 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -0.737 -13.671 7.542 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -1.935 -14.884 5.683 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -0.401 -15.143 4.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -1.019 -17.059 6.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 0.394 -16.347 6.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -1.093 -16.096 7.620 1.00 0.00 H new ATOM 628 N LEU A 116 2.413 -9.641 7.002 1.00 0.00 N ATOM 629 CA LEU A 116 3.816 -9.975 7.362 1.00 0.00 C ATOM 630 C LEU A 116 4.154 -9.362 8.727 1.00 0.00 C ATOM 631 O LEU A 116 3.516 -9.655 9.718 1.00 0.00 O ATOM 632 CB LEU A 116 4.744 -9.415 6.281 1.00 0.00 C ATOM 633 CG LEU A 116 4.427 -7.932 6.056 1.00 0.00 C ATOM 634 CD1 LEU A 116 5.592 -7.262 5.331 1.00 0.00 C ATOM 635 CD2 LEU A 116 3.159 -7.805 5.210 1.00 0.00 C ATOM 0 H LEU A 116 2.156 -8.660 7.109 1.00 0.00 H new ATOM 0 HA LEU A 116 3.944 -11.056 7.426 1.00 0.00 H new ATOM 0 HB2 LEU A 116 5.785 -9.534 6.582 1.00 0.00 H new ATOM 0 HB3 LEU A 116 4.615 -9.971 5.352 1.00 0.00 H new ATOM 0 HG LEU A 116 4.273 -7.445 7.019 1.00 0.00 H new ATOM 0 HD11 LEU A 116 5.364 -6.208 5.172 1.00 0.00 H new ATOM 0 HD12 LEU A 116 6.495 -7.351 5.934 1.00 0.00 H new ATOM 0 HD13 LEU A 116 5.749 -7.748 4.368 1.00 0.00 H new ATOM 0 HD21 LEU A 116 2.933 -6.751 5.049 1.00 0.00 H new ATOM 0 HD22 LEU A 116 3.313 -8.294 4.248 1.00 0.00 H new ATOM 0 HD23 LEU A 116 2.326 -8.280 5.729 1.00 0.00 H new ATOM 647 N THR A 117 5.146 -8.513 8.794 1.00 0.00 N ATOM 648 CA THR A 117 5.509 -7.891 10.096 1.00 0.00 C ATOM 649 C THR A 117 5.846 -6.418 9.868 1.00 0.00 C ATOM 650 O THR A 117 6.028 -5.981 8.749 1.00 0.00 O ATOM 651 CB THR A 117 6.726 -8.610 10.683 1.00 0.00 C ATOM 652 OG1 THR A 117 7.871 -8.315 9.898 1.00 0.00 O ATOM 653 CG2 THR A 117 6.477 -10.119 10.685 1.00 0.00 C ATOM 0 H THR A 117 5.719 -8.225 8.001 1.00 0.00 H new ATOM 0 HA THR A 117 4.673 -7.973 10.790 1.00 0.00 H new ATOM 0 HB THR A 117 6.891 -8.272 11.706 1.00 0.00 H new ATOM 0 HG1 THR A 117 8.652 -8.773 10.273 1.00 0.00 H new ATOM 0 HG21 THR A 117 7.344 -10.630 11.103 1.00 0.00 H new ATOM 0 HG22 THR A 117 5.598 -10.342 11.290 1.00 0.00 H new ATOM 0 HG23 THR A 117 6.311 -10.462 9.664 1.00 0.00 H new ATOM 661 N ASP A 118 5.928 -5.645 10.916 1.00 0.00 N ATOM 662 CA ASP A 118 6.251 -4.201 10.746 1.00 0.00 C ATOM 663 C ASP A 118 7.693 -4.051 10.253 1.00 0.00 C ATOM 664 O ASP A 118 8.114 -2.980 9.860 1.00 0.00 O ATOM 665 CB ASP A 118 6.088 -3.475 12.081 1.00 0.00 C ATOM 666 CG ASP A 118 6.217 -1.969 11.851 1.00 0.00 C ATOM 667 OD1 ASP A 118 7.335 -1.482 11.863 1.00 0.00 O ATOM 668 OD2 ASP A 118 5.197 -1.328 11.662 1.00 0.00 O ATOM 0 H ASP A 118 5.786 -5.950 11.879 1.00 0.00 H new ATOM 0 HA ASP A 118 5.571 -3.765 10.014 1.00 0.00 H new ATOM 0 HB2 ASP A 118 5.117 -3.707 12.519 1.00 0.00 H new ATOM 0 HB3 ASP A 118 6.845 -3.814 12.788 1.00 0.00 H new ATOM 673 N GLU A 119 8.453 -5.112 10.267 1.00 0.00 N ATOM 674 CA GLU A 119 9.863 -5.020 9.792 1.00 0.00 C ATOM 675 C GLU A 119 9.915 -5.343 8.300 1.00 0.00 C ATOM 676 O GLU A 119 10.570 -4.669 7.531 1.00 0.00 O ATOM 677 CB GLU A 119 10.728 -6.019 10.563 1.00 0.00 C ATOM 678 CG GLU A 119 10.741 -5.642 12.045 1.00 0.00 C ATOM 679 CD GLU A 119 12.100 -5.997 12.652 1.00 0.00 C ATOM 680 OE1 GLU A 119 13.004 -5.184 12.546 1.00 0.00 O ATOM 681 OE2 GLU A 119 12.214 -7.074 13.212 1.00 0.00 O ATOM 0 H GLU A 119 8.160 -6.036 10.586 1.00 0.00 H new ATOM 0 HA GLU A 119 10.240 -4.011 9.960 1.00 0.00 H new ATOM 0 HB2 GLU A 119 10.337 -7.029 10.437 1.00 0.00 H new ATOM 0 HB3 GLU A 119 11.744 -6.019 10.167 1.00 0.00 H new ATOM 0 HG2 GLU A 119 10.547 -4.576 12.161 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.947 -6.170 12.572 1.00 0.00 H new ATOM 688 N GLU A 120 9.226 -6.367 7.881 1.00 0.00 N ATOM 689 CA GLU A 120 9.232 -6.727 6.436 1.00 0.00 C ATOM 690 C GLU A 120 8.499 -5.642 5.647 1.00 0.00 C ATOM 691 O GLU A 120 8.814 -5.367 4.506 1.00 0.00 O ATOM 692 CB GLU A 120 8.514 -8.063 6.242 1.00 0.00 C ATOM 693 CG GLU A 120 9.228 -9.152 7.043 1.00 0.00 C ATOM 694 CD GLU A 120 9.808 -10.194 6.084 1.00 0.00 C ATOM 695 OE1 GLU A 120 10.030 -9.852 4.935 1.00 0.00 O ATOM 696 OE2 GLU A 120 10.018 -11.315 6.515 1.00 0.00 O ATOM 0 H GLU A 120 8.659 -6.970 8.477 1.00 0.00 H new ATOM 0 HA GLU A 120 10.260 -6.811 6.083 1.00 0.00 H new ATOM 0 HB2 GLU A 120 7.477 -7.980 6.567 1.00 0.00 H new ATOM 0 HB3 GLU A 120 8.497 -8.328 5.185 1.00 0.00 H new ATOM 0 HG2 GLU A 120 10.024 -8.713 7.645 1.00 0.00 H new ATOM 0 HG3 GLU A 120 8.531 -9.626 7.734 1.00 0.00 H new ATOM 703 N VAL A 121 7.513 -5.035 6.246 1.00 0.00 N ATOM 704 CA VAL A 121 6.741 -3.976 5.536 1.00 0.00 C ATOM 705 C VAL A 121 7.514 -2.656 5.556 1.00 0.00 C ATOM 706 O VAL A 121 7.657 -1.999 4.544 1.00 0.00 O ATOM 707 CB VAL A 121 5.378 -3.786 6.213 1.00 0.00 C ATOM 708 CG1 VAL A 121 5.548 -3.577 7.717 1.00 0.00 C ATOM 709 CG2 VAL A 121 4.679 -2.564 5.612 1.00 0.00 C ATOM 0 H VAL A 121 7.207 -5.227 7.200 1.00 0.00 H new ATOM 0 HA VAL A 121 6.591 -4.283 4.501 1.00 0.00 H new ATOM 0 HB VAL A 121 4.779 -4.681 6.047 1.00 0.00 H new ATOM 0 HG11 VAL A 121 4.570 -3.444 8.179 1.00 0.00 H new ATOM 0 HG12 VAL A 121 6.039 -4.447 8.152 1.00 0.00 H new ATOM 0 HG13 VAL A 121 6.156 -2.690 7.895 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.710 -2.427 6.092 1.00 0.00 H new ATOM 0 HG22 VAL A 121 5.293 -1.678 5.774 1.00 0.00 H new ATOM 0 HG23 VAL A 121 4.536 -2.716 4.542 1.00 0.00 H new ATOM 719 N ASP A 122 8.012 -2.257 6.691 1.00 0.00 N ATOM 720 CA ASP A 122 8.767 -0.974 6.757 1.00 0.00 C ATOM 721 C ASP A 122 10.031 -1.084 5.904 1.00 0.00 C ATOM 722 O ASP A 122 10.487 -0.118 5.325 1.00 0.00 O ATOM 723 CB ASP A 122 9.152 -0.677 8.208 1.00 0.00 C ATOM 724 CG ASP A 122 9.223 0.837 8.419 1.00 0.00 C ATOM 725 OD1 ASP A 122 9.458 1.539 7.449 1.00 0.00 O ATOM 726 OD2 ASP A 122 9.041 1.268 9.545 1.00 0.00 O ATOM 0 H ASP A 122 7.930 -2.761 7.574 1.00 0.00 H new ATOM 0 HA ASP A 122 8.142 -0.166 6.378 1.00 0.00 H new ATOM 0 HB2 ASP A 122 8.420 -1.115 8.886 1.00 0.00 H new ATOM 0 HB3 ASP A 122 10.115 -1.133 8.440 1.00 0.00 H new ATOM 731 N GLU A 123 10.599 -2.255 5.813 1.00 0.00 N ATOM 732 CA GLU A 123 11.829 -2.426 4.992 1.00 0.00 C ATOM 733 C GLU A 123 11.431 -2.731 3.547 1.00 0.00 C ATOM 734 O GLU A 123 12.247 -2.705 2.649 1.00 0.00 O ATOM 735 CB GLU A 123 12.661 -3.584 5.548 1.00 0.00 C ATOM 736 CG GLU A 123 14.145 -3.323 5.277 1.00 0.00 C ATOM 737 CD GLU A 123 14.927 -4.632 5.415 1.00 0.00 C ATOM 738 OE1 GLU A 123 14.294 -5.672 5.495 1.00 0.00 O ATOM 739 OE2 GLU A 123 16.145 -4.571 5.439 1.00 0.00 O ATOM 0 H GLU A 123 10.263 -3.101 6.273 1.00 0.00 H new ATOM 0 HA GLU A 123 12.420 -1.511 5.025 1.00 0.00 H new ATOM 0 HB2 GLU A 123 12.489 -3.688 6.619 1.00 0.00 H new ATOM 0 HB3 GLU A 123 12.355 -4.521 5.084 1.00 0.00 H new ATOM 0 HG2 GLU A 123 14.276 -2.912 4.276 1.00 0.00 H new ATOM 0 HG3 GLU A 123 14.529 -2.582 5.978 1.00 0.00 H new ATOM 746 N MET A 124 10.179 -3.024 3.316 1.00 0.00 N ATOM 747 CA MET A 124 9.729 -3.331 1.932 1.00 0.00 C ATOM 748 C MET A 124 9.125 -2.076 1.300 1.00 0.00 C ATOM 749 O MET A 124 8.975 -1.988 0.097 1.00 0.00 O ATOM 750 CB MET A 124 8.675 -4.438 1.974 1.00 0.00 C ATOM 751 CG MET A 124 8.183 -4.726 0.556 1.00 0.00 C ATOM 752 SD MET A 124 9.521 -5.470 -0.409 1.00 0.00 S ATOM 753 CE MET A 124 9.925 -6.800 0.750 1.00 0.00 C ATOM 0 H MET A 124 9.450 -3.063 4.028 1.00 0.00 H new ATOM 0 HA MET A 124 10.581 -3.661 1.338 1.00 0.00 H new ATOM 0 HB2 MET A 124 9.098 -5.341 2.414 1.00 0.00 H new ATOM 0 HB3 MET A 124 7.840 -4.136 2.606 1.00 0.00 H new ATOM 0 HG2 MET A 124 7.326 -5.398 0.587 1.00 0.00 H new ATOM 0 HG3 MET A 124 7.848 -3.804 0.082 1.00 0.00 H new ATOM 0 HE1 MET A 124 10.419 -7.611 0.215 1.00 0.00 H new ATOM 0 HE2 MET A 124 10.590 -6.418 1.525 1.00 0.00 H new ATOM 0 HE3 MET A 124 9.010 -7.173 1.209 1.00 0.00 H new ATOM 763 N ILE A 125 8.774 -1.103 2.096 1.00 0.00 N ATOM 764 CA ILE A 125 8.179 0.139 1.530 1.00 0.00 C ATOM 765 C ILE A 125 9.228 0.845 0.666 1.00 0.00 C ATOM 766 O ILE A 125 8.907 1.495 -0.307 1.00 0.00 O ATOM 767 CB ILE A 125 7.694 1.041 2.684 1.00 0.00 C ATOM 768 CG1 ILE A 125 6.170 1.107 2.642 1.00 0.00 C ATOM 769 CG2 ILE A 125 8.262 2.464 2.569 1.00 0.00 C ATOM 770 CD1 ILE A 125 5.606 0.626 3.978 1.00 0.00 C ATOM 0 H ILE A 125 8.873 -1.115 3.111 1.00 0.00 H new ATOM 0 HA ILE A 125 7.320 -0.097 0.901 1.00 0.00 H new ATOM 0 HB ILE A 125 8.042 0.615 3.625 1.00 0.00 H new ATOM 0 HG12 ILE A 125 5.844 2.128 2.443 1.00 0.00 H new ATOM 0 HG13 ILE A 125 5.790 0.487 1.830 1.00 0.00 H new ATOM 0 HG21 ILE A 125 7.898 3.069 3.399 1.00 0.00 H new ATOM 0 HG22 ILE A 125 9.351 2.425 2.599 1.00 0.00 H new ATOM 0 HG23 ILE A 125 7.941 2.909 1.627 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.517 0.672 3.951 1.00 0.00 H new ATOM 0 HD12 ILE A 125 5.921 -0.402 4.157 1.00 0.00 H new ATOM 0 HD13 ILE A 125 5.976 1.264 4.780 1.00 0.00 H new ATOM 782 N ARG A 126 10.480 0.714 1.007 1.00 0.00 N ATOM 783 CA ARG A 126 11.533 1.369 0.190 1.00 0.00 C ATOM 784 C ARG A 126 11.260 1.067 -1.282 1.00 0.00 C ATOM 785 O ARG A 126 11.647 1.806 -2.165 1.00 0.00 O ATOM 786 CB ARG A 126 12.902 0.815 0.587 1.00 0.00 C ATOM 787 CG ARG A 126 13.036 0.829 2.112 1.00 0.00 C ATOM 788 CD ARG A 126 14.513 0.948 2.492 1.00 0.00 C ATOM 789 NE ARG A 126 15.235 -0.284 2.066 1.00 0.00 N ATOM 790 CZ ARG A 126 16.401 -0.567 2.578 1.00 0.00 C ATOM 791 NH1 ARG A 126 16.558 -0.588 3.873 1.00 0.00 N ATOM 792 NH2 ARG A 126 17.411 -0.830 1.794 1.00 0.00 N ATOM 0 H ARG A 126 10.816 0.185 1.812 1.00 0.00 H new ATOM 0 HA ARG A 126 11.525 2.446 0.356 1.00 0.00 H new ATOM 0 HB2 ARG A 126 13.018 -0.201 0.210 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.693 1.414 0.136 1.00 0.00 H new ATOM 0 HG2 ARG A 126 12.473 1.664 2.530 1.00 0.00 H new ATOM 0 HG3 ARG A 126 12.613 -0.083 2.533 1.00 0.00 H new ATOM 0 HD2 ARG A 126 14.953 1.824 2.015 1.00 0.00 H new ATOM 0 HD3 ARG A 126 14.613 1.087 3.568 1.00 0.00 H new ATOM 0 HE ARG A 126 14.817 -0.906 1.374 1.00 0.00 H new ATOM 0 HH11 ARG A 126 15.769 -0.383 4.486 1.00 0.00 H new ATOM 0 HH12 ARG A 126 17.470 -0.809 4.273 1.00 0.00 H new ATOM 0 HH21 ARG A 126 17.288 -0.814 0.782 1.00 0.00 H new ATOM 0 HH22 ARG A 126 18.323 -1.051 2.194 1.00 0.00 H new ATOM 806 N GLU A 127 10.587 -0.020 -1.547 1.00 0.00 N ATOM 807 CA GLU A 127 10.272 -0.387 -2.954 1.00 0.00 C ATOM 808 C GLU A 127 9.127 0.491 -3.467 1.00 0.00 C ATOM 809 O GLU A 127 9.173 0.997 -4.571 1.00 0.00 O ATOM 810 CB GLU A 127 9.847 -1.856 -3.007 1.00 0.00 C ATOM 811 CG GLU A 127 9.641 -2.277 -4.464 1.00 0.00 C ATOM 812 CD GLU A 127 11.000 -2.530 -5.119 1.00 0.00 C ATOM 813 OE1 GLU A 127 11.610 -3.537 -4.801 1.00 0.00 O ATOM 814 OE2 GLU A 127 11.407 -1.713 -5.930 1.00 0.00 O ATOM 0 H GLU A 127 10.241 -0.672 -0.844 1.00 0.00 H new ATOM 0 HA GLU A 127 11.153 -0.235 -3.578 1.00 0.00 H new ATOM 0 HB2 GLU A 127 10.607 -2.482 -2.541 1.00 0.00 H new ATOM 0 HB3 GLU A 127 8.926 -1.999 -2.442 1.00 0.00 H new ATOM 0 HG2 GLU A 127 9.030 -3.178 -4.510 1.00 0.00 H new ATOM 0 HG3 GLU A 127 9.103 -1.499 -5.006 1.00 0.00 H new ATOM 821 N ALA A 128 8.100 0.678 -2.679 1.00 0.00 N ATOM 822 CA ALA A 128 6.963 1.524 -3.137 1.00 0.00 C ATOM 823 C ALA A 128 7.266 2.992 -2.830 1.00 0.00 C ATOM 824 O ALA A 128 7.771 3.719 -3.661 1.00 0.00 O ATOM 825 CB ALA A 128 5.686 1.102 -2.408 1.00 0.00 C ATOM 0 H ALA A 128 8.001 0.283 -1.744 1.00 0.00 H new ATOM 0 HA ALA A 128 6.825 1.398 -4.211 1.00 0.00 H new ATOM 0 HB1 ALA A 128 4.854 1.721 -2.743 1.00 0.00 H new ATOM 0 HB2 ALA A 128 5.471 0.056 -2.627 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.822 1.228 -1.334 1.00 0.00 H new ATOM 831 N ASP A 129 6.964 3.430 -1.639 1.00 0.00 N ATOM 832 CA ASP A 129 7.238 4.849 -1.276 1.00 0.00 C ATOM 833 C ASP A 129 8.745 5.107 -1.339 1.00 0.00 C ATOM 834 O ASP A 129 9.537 4.331 -0.841 1.00 0.00 O ATOM 835 CB ASP A 129 6.732 5.113 0.144 1.00 0.00 C ATOM 836 CG ASP A 129 7.171 6.508 0.589 1.00 0.00 C ATOM 837 OD1 ASP A 129 7.369 7.350 -0.273 1.00 0.00 O ATOM 838 OD2 ASP A 129 7.301 6.714 1.784 1.00 0.00 O ATOM 0 H ASP A 129 6.540 2.867 -0.902 1.00 0.00 H new ATOM 0 HA ASP A 129 6.727 5.512 -1.974 1.00 0.00 H new ATOM 0 HB2 ASP A 129 5.645 5.035 0.175 1.00 0.00 H new ATOM 0 HB3 ASP A 129 7.125 4.361 0.828 1.00 0.00 H new ATOM 893 N GLY A 134 3.713 11.018 -3.090 1.00 0.00 N ATOM 894 CA GLY A 134 3.265 10.782 -1.688 1.00 0.00 C ATOM 895 C GLY A 134 3.993 9.561 -1.122 1.00 0.00 C ATOM 896 O GLY A 134 4.522 8.751 -1.855 1.00 0.00 O ATOM 0 HA2 GLY A 134 3.472 11.659 -1.075 1.00 0.00 H new ATOM 0 HA3 GLY A 134 2.187 10.622 -1.661 1.00 0.00 H new ATOM 900 N GLN A 135 4.024 9.424 0.176 1.00 0.00 N ATOM 901 CA GLN A 135 4.718 8.252 0.785 1.00 0.00 C ATOM 902 C GLN A 135 4.314 6.979 0.037 1.00 0.00 C ATOM 903 O GLN A 135 4.893 6.638 -0.976 1.00 0.00 O ATOM 904 CB GLN A 135 4.323 8.136 2.258 1.00 0.00 C ATOM 905 CG GLN A 135 5.053 9.206 3.072 1.00 0.00 C ATOM 906 CD GLN A 135 6.555 9.123 2.801 1.00 0.00 C ATOM 907 OE1 GLN A 135 7.258 8.360 3.433 1.00 0.00 O ATOM 908 NE2 GLN A 135 7.080 9.884 1.881 1.00 0.00 N ATOM 0 H GLN A 135 3.600 10.071 0.840 1.00 0.00 H new ATOM 0 HA GLN A 135 5.797 8.385 0.713 1.00 0.00 H new ATOM 0 HB2 GLN A 135 3.245 8.255 2.366 1.00 0.00 H new ATOM 0 HB3 GLN A 135 4.573 7.144 2.635 1.00 0.00 H new ATOM 0 HG2 GLN A 135 4.680 10.195 2.808 1.00 0.00 H new ATOM 0 HG3 GLN A 135 4.857 9.065 4.135 1.00 0.00 H new ATOM 0 HE21 GLN A 135 6.489 10.524 1.351 1.00 0.00 H new ATOM 0 HE22 GLN A 135 8.081 9.839 1.692 1.00 0.00 H new ATOM 917 N VAL A 136 3.325 6.270 0.518 1.00 0.00 N ATOM 918 CA VAL A 136 2.902 5.025 -0.190 1.00 0.00 C ATOM 919 C VAL A 136 1.446 5.149 -0.623 1.00 0.00 C ATOM 920 O VAL A 136 0.537 4.894 0.139 1.00 0.00 O ATOM 921 CB VAL A 136 3.040 3.805 0.720 1.00 0.00 C ATOM 922 CG1 VAL A 136 3.704 2.678 -0.071 1.00 0.00 C ATOM 923 CG2 VAL A 136 3.890 4.149 1.950 1.00 0.00 C ATOM 0 H VAL A 136 2.797 6.496 1.361 1.00 0.00 H new ATOM 0 HA VAL A 136 3.546 4.896 -1.060 1.00 0.00 H new ATOM 0 HB VAL A 136 2.054 3.492 1.062 1.00 0.00 H new ATOM 0 HG11 VAL A 136 3.809 1.800 0.566 1.00 0.00 H new ATOM 0 HG12 VAL A 136 3.088 2.428 -0.935 1.00 0.00 H new ATOM 0 HG13 VAL A 136 4.689 3.002 -0.409 1.00 0.00 H new ATOM 0 HG21 VAL A 136 3.979 3.270 2.588 1.00 0.00 H new ATOM 0 HG22 VAL A 136 4.882 4.467 1.629 1.00 0.00 H new ATOM 0 HG23 VAL A 136 3.414 4.955 2.508 1.00 0.00 H new ATOM 933 N ASN A 137 1.215 5.526 -1.844 1.00 0.00 N ATOM 934 CA ASN A 137 -0.186 5.656 -2.320 1.00 0.00 C ATOM 935 C ASN A 137 -0.685 4.304 -2.801 1.00 0.00 C ATOM 936 O ASN A 137 -0.005 3.308 -2.688 1.00 0.00 O ATOM 937 CB ASN A 137 -0.253 6.667 -3.459 1.00 0.00 C ATOM 938 CG ASN A 137 0.530 6.137 -4.663 1.00 0.00 C ATOM 939 OD1 ASN A 137 -0.044 5.590 -5.583 1.00 0.00 O ATOM 940 ND2 ASN A 137 1.827 6.280 -4.701 1.00 0.00 N ATOM 0 H ASN A 137 1.933 5.750 -2.533 1.00 0.00 H new ATOM 0 HA ASN A 137 -0.815 6.002 -1.500 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -1.291 6.847 -3.738 1.00 0.00 H new ATOM 0 HB3 ASN A 137 0.160 7.622 -3.136 1.00 0.00 H new ATOM 0 HD21 ASN A 137 2.355 5.933 -5.502 1.00 0.00 H new ATOM 0 HD22 ASN A 137 2.312 6.739 -3.930 1.00 0.00 H new ATOM 947 N TYR A 138 -1.872 4.261 -3.326 1.00 0.00 N ATOM 948 CA TYR A 138 -2.425 2.971 -3.809 1.00 0.00 C ATOM 949 C TYR A 138 -1.638 2.514 -5.019 1.00 0.00 C ATOM 950 O TYR A 138 -1.278 1.365 -5.144 1.00 0.00 O ATOM 951 CB TYR A 138 -3.880 3.173 -4.209 1.00 0.00 C ATOM 952 CG TYR A 138 -4.684 3.604 -3.007 1.00 0.00 C ATOM 953 CD1 TYR A 138 -4.074 3.739 -1.751 1.00 0.00 C ATOM 954 CD2 TYR A 138 -6.042 3.872 -3.154 1.00 0.00 C ATOM 955 CE1 TYR A 138 -4.825 4.137 -0.648 1.00 0.00 C ATOM 956 CE2 TYR A 138 -6.799 4.275 -2.051 1.00 0.00 C ATOM 957 CZ TYR A 138 -6.191 4.406 -0.796 1.00 0.00 C ATOM 958 OH TYR A 138 -6.937 4.808 0.290 1.00 0.00 O ATOM 0 H TYR A 138 -2.486 5.067 -3.442 1.00 0.00 H new ATOM 0 HA TYR A 138 -2.357 2.222 -3.020 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -3.950 3.926 -4.994 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -4.287 2.248 -4.617 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -3.020 3.534 -1.639 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -6.511 3.768 -4.121 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -4.355 4.238 0.319 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -7.852 4.485 -2.166 1.00 0.00 H new ATOM 0 HH TYR A 138 -6.881 5.782 0.383 1.00 0.00 H new ATOM 968 N GLU A 139 -1.376 3.406 -5.917 1.00 0.00 N ATOM 969 CA GLU A 139 -0.614 3.016 -7.123 1.00 0.00 C ATOM 970 C GLU A 139 0.736 2.439 -6.689 1.00 0.00 C ATOM 971 O GLU A 139 1.292 1.573 -7.336 1.00 0.00 O ATOM 972 CB GLU A 139 -0.388 4.234 -8.023 1.00 0.00 C ATOM 973 CG GLU A 139 -1.595 5.171 -7.940 1.00 0.00 C ATOM 974 CD GLU A 139 -1.724 5.955 -9.247 1.00 0.00 C ATOM 975 OE1 GLU A 139 -2.070 5.349 -10.248 1.00 0.00 O ATOM 976 OE2 GLU A 139 -1.476 7.149 -9.225 1.00 0.00 O ATOM 0 H GLU A 139 -1.655 4.386 -5.871 1.00 0.00 H new ATOM 0 HA GLU A 139 -1.177 2.269 -7.683 1.00 0.00 H new ATOM 0 HB2 GLU A 139 0.515 4.762 -7.716 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -0.235 3.913 -9.053 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -2.503 4.596 -7.757 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -1.478 5.858 -7.102 1.00 0.00 H new ATOM 983 N GLU A 140 1.265 2.914 -5.592 1.00 0.00 N ATOM 984 CA GLU A 140 2.577 2.400 -5.103 1.00 0.00 C ATOM 985 C GLU A 140 2.344 1.386 -3.977 1.00 0.00 C ATOM 986 O GLU A 140 3.263 0.748 -3.501 1.00 0.00 O ATOM 987 CB GLU A 140 3.413 3.565 -4.570 1.00 0.00 C ATOM 988 CG GLU A 140 4.116 4.267 -5.734 1.00 0.00 C ATOM 989 CD GLU A 140 5.328 3.443 -6.170 1.00 0.00 C ATOM 990 OE1 GLU A 140 5.334 2.251 -5.910 1.00 0.00 O ATOM 991 OE2 GLU A 140 6.231 4.018 -6.757 1.00 0.00 O ATOM 0 H GLU A 140 0.842 3.639 -5.012 1.00 0.00 H new ATOM 0 HA GLU A 140 3.105 1.916 -5.925 1.00 0.00 H new ATOM 0 HB2 GLU A 140 2.775 4.271 -4.039 1.00 0.00 H new ATOM 0 HB3 GLU A 140 4.149 3.200 -3.854 1.00 0.00 H new ATOM 0 HG2 GLU A 140 3.426 4.389 -6.569 1.00 0.00 H new ATOM 0 HG3 GLU A 140 4.431 5.266 -5.433 1.00 0.00 H new ATOM 998 N PHE A 141 1.120 1.237 -3.548 1.00 0.00 N ATOM 999 CA PHE A 141 0.815 0.273 -2.454 1.00 0.00 C ATOM 1000 C PHE A 141 0.582 -1.113 -3.054 1.00 0.00 C ATOM 1001 O PHE A 141 0.936 -2.120 -2.475 1.00 0.00 O ATOM 1002 CB PHE A 141 -0.449 0.729 -1.718 1.00 0.00 C ATOM 1003 CG PHE A 141 -0.724 -0.192 -0.553 1.00 0.00 C ATOM 1004 CD1 PHE A 141 0.339 -0.724 0.182 1.00 0.00 C ATOM 1005 CD2 PHE A 141 -2.044 -0.510 -0.204 1.00 0.00 C ATOM 1006 CE1 PHE A 141 0.086 -1.571 1.262 1.00 0.00 C ATOM 1007 CE2 PHE A 141 -2.295 -1.361 0.881 1.00 0.00 C ATOM 1008 CZ PHE A 141 -1.229 -1.890 1.613 1.00 0.00 C ATOM 0 H PHE A 141 0.314 1.745 -3.911 1.00 0.00 H new ATOM 0 HA PHE A 141 1.650 0.232 -1.755 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -0.325 1.752 -1.363 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -1.298 0.730 -2.401 1.00 0.00 H new ATOM 0 HD1 PHE A 141 1.356 -0.480 -0.086 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -2.867 -0.100 -0.771 1.00 0.00 H new ATOM 0 HE1 PHE A 141 0.909 -1.981 1.828 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -3.311 -1.608 1.151 1.00 0.00 H new ATOM 0 HZ PHE A 141 -1.421 -2.545 2.450 1.00 0.00 H new ATOM 1018 N VAL A 142 -0.006 -1.170 -4.214 1.00 0.00 N ATOM 1019 CA VAL A 142 -0.260 -2.482 -4.860 1.00 0.00 C ATOM 1020 C VAL A 142 1.083 -3.149 -5.163 1.00 0.00 C ATOM 1021 O VAL A 142 1.167 -4.346 -5.350 1.00 0.00 O ATOM 1022 CB VAL A 142 -1.038 -2.260 -6.161 1.00 0.00 C ATOM 1023 CG1 VAL A 142 -0.435 -1.077 -6.922 1.00 0.00 C ATOM 1024 CG2 VAL A 142 -0.961 -3.518 -7.031 1.00 0.00 C ATOM 0 H VAL A 142 -0.323 -0.358 -4.744 1.00 0.00 H new ATOM 0 HA VAL A 142 -0.844 -3.122 -4.199 1.00 0.00 H new ATOM 0 HB VAL A 142 -2.081 -2.048 -5.924 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -0.989 -0.919 -7.848 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -0.495 -0.180 -6.306 1.00 0.00 H new ATOM 0 HG13 VAL A 142 0.609 -1.288 -7.155 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -1.516 -3.356 -7.955 1.00 0.00 H new ATOM 0 HG22 VAL A 142 0.081 -3.734 -7.266 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -1.394 -4.361 -6.491 1.00 0.00 H new ATOM 1034 N GLN A 143 2.136 -2.378 -5.211 1.00 0.00 N ATOM 1035 CA GLN A 143 3.476 -2.961 -5.500 1.00 0.00 C ATOM 1036 C GLN A 143 3.891 -3.881 -4.352 1.00 0.00 C ATOM 1037 O GLN A 143 4.635 -4.821 -4.536 1.00 0.00 O ATOM 1038 CB GLN A 143 4.502 -1.834 -5.648 1.00 0.00 C ATOM 1039 CG GLN A 143 5.901 -2.435 -5.798 1.00 0.00 C ATOM 1040 CD GLN A 143 6.606 -1.794 -6.996 1.00 0.00 C ATOM 1041 OE1 GLN A 143 6.976 -2.474 -7.932 1.00 0.00 O ATOM 1042 NE2 GLN A 143 6.809 -0.506 -7.005 1.00 0.00 N ATOM 0 H GLN A 143 2.125 -1.369 -5.062 1.00 0.00 H new ATOM 0 HA GLN A 143 3.430 -3.534 -6.426 1.00 0.00 H new ATOM 0 HB2 GLN A 143 4.263 -1.221 -6.517 1.00 0.00 H new ATOM 0 HB3 GLN A 143 4.467 -1.179 -4.777 1.00 0.00 H new ATOM 0 HG2 GLN A 143 6.480 -2.268 -4.890 1.00 0.00 H new ATOM 0 HG3 GLN A 143 5.832 -3.514 -5.938 1.00 0.00 H new ATOM 0 HE21 GLN A 143 6.498 0.065 -6.219 1.00 0.00 H new ATOM 0 HE22 GLN A 143 7.279 -0.069 -7.798 1.00 0.00 H new ATOM 1051 N MET A 144 3.416 -3.623 -3.166 1.00 0.00 N ATOM 1052 CA MET A 144 3.789 -4.493 -2.016 1.00 0.00 C ATOM 1053 C MET A 144 2.952 -5.770 -2.069 1.00 0.00 C ATOM 1054 O MET A 144 3.466 -6.869 -2.015 1.00 0.00 O ATOM 1055 CB MET A 144 3.507 -3.769 -0.695 1.00 0.00 C ATOM 1056 CG MET A 144 3.929 -2.304 -0.802 1.00 0.00 C ATOM 1057 SD MET A 144 5.547 -2.084 -0.020 1.00 0.00 S ATOM 1058 CE MET A 144 6.543 -2.222 -1.525 1.00 0.00 C ATOM 0 H MET A 144 2.788 -2.851 -2.943 1.00 0.00 H new ATOM 0 HA MET A 144 4.851 -4.732 -2.076 1.00 0.00 H new ATOM 0 HB2 MET A 144 2.446 -3.834 -0.455 1.00 0.00 H new ATOM 0 HB3 MET A 144 4.048 -4.254 0.118 1.00 0.00 H new ATOM 0 HG2 MET A 144 3.975 -2.003 -1.849 1.00 0.00 H new ATOM 0 HG3 MET A 144 3.190 -1.665 -0.319 1.00 0.00 H new ATOM 0 HE1 MET A 144 6.947 -3.232 -1.603 1.00 0.00 H new ATOM 0 HE2 MET A 144 5.920 -2.012 -2.394 1.00 0.00 H new ATOM 0 HE3 MET A 144 7.363 -1.505 -1.485 1.00 0.00 H new ATOM 1068 N MET A 145 1.661 -5.624 -2.164 1.00 0.00 N ATOM 1069 CA MET A 145 0.775 -6.820 -2.208 1.00 0.00 C ATOM 1070 C MET A 145 1.008 -7.609 -3.500 1.00 0.00 C ATOM 1071 O MET A 145 0.477 -8.687 -3.678 1.00 0.00 O ATOM 1072 CB MET A 145 -0.697 -6.389 -2.133 1.00 0.00 C ATOM 1073 CG MET A 145 -0.920 -5.115 -2.953 1.00 0.00 C ATOM 1074 SD MET A 145 -1.475 -3.774 -1.861 1.00 0.00 S ATOM 1075 CE MET A 145 -0.208 -3.935 -0.574 1.00 0.00 C ATOM 0 H MET A 145 1.180 -4.726 -2.213 1.00 0.00 H new ATOM 0 HA MET A 145 1.011 -7.455 -1.354 1.00 0.00 H new ATOM 0 HB2 MET A 145 -1.337 -7.188 -2.508 1.00 0.00 H new ATOM 0 HB3 MET A 145 -0.980 -6.216 -1.095 1.00 0.00 H new ATOM 0 HG2 MET A 145 0.003 -4.829 -3.456 1.00 0.00 H new ATOM 0 HG3 MET A 145 -1.663 -5.296 -3.729 1.00 0.00 H new ATOM 0 HE1 MET A 145 -0.682 -3.919 0.407 1.00 0.00 H new ATOM 0 HE2 MET A 145 0.325 -4.877 -0.704 1.00 0.00 H new ATOM 0 HE3 MET A 145 0.496 -3.106 -0.650 1.00 0.00 H new ATOM 1085 N THR A 146 1.795 -7.092 -4.406 1.00 0.00 N ATOM 1086 CA THR A 146 2.043 -7.838 -5.675 1.00 0.00 C ATOM 1087 C THR A 146 3.290 -7.290 -6.376 1.00 0.00 C ATOM 1088 O THR A 146 3.324 -7.164 -7.584 1.00 0.00 O ATOM 1089 CB THR A 146 0.832 -7.690 -6.599 1.00 0.00 C ATOM 1090 OG1 THR A 146 1.015 -8.504 -7.749 1.00 0.00 O ATOM 1091 CG2 THR A 146 0.684 -6.229 -7.026 1.00 0.00 C ATOM 0 H THR A 146 2.273 -6.195 -4.324 1.00 0.00 H new ATOM 0 HA THR A 146 2.201 -8.891 -5.442 1.00 0.00 H new ATOM 0 HB THR A 146 -0.068 -8.002 -6.069 1.00 0.00 H new ATOM 0 HG1 THR A 146 1.869 -8.281 -8.175 1.00 0.00 H new ATOM 0 HG21 THR A 146 -0.179 -6.128 -7.684 1.00 0.00 H new ATOM 0 HG22 THR A 146 0.543 -5.605 -6.144 1.00 0.00 H new ATOM 0 HG23 THR A 146 1.583 -5.912 -7.555 1.00 0.00 H new