USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 619 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 97 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 100 ASN : amide:sc= -4.4! C(o=-4.4!,f=-14!) USER MOD Set 2.1: A 20 HIS : no HE2:sc= -0.294! C(o=0.02!,f=-8.2!) USER MOD Set 2.2: A 23 SER OG : rot -42:sc= 0.642 USER MOD Set 2.3: A 24 LYS NZ :NH3+ -171:sc= -0.327 (180deg=-0.723) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -152:sc= 0 (180deg=-1.39) USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-1!) USER MOD Single : A 37 HIS : no HD1:sc= -0.429 X(o=-0.43,f=-0.07) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 GLN : amide:sc= -0.0331 X(o=-0.033,f=-0.036) USER MOD Single : A 45 HIS : no HE2:sc= -10.5! C(o=-10!,f=-23!) USER MOD Single : A 53 GLN : amide:sc= -1.77 K(o=-1.8,f=-2.5!) USER MOD Single : A 56 LYS NZ :NH3+ 148:sc= -0.162 (180deg=-0.874) USER MOD Single : A 57 CYS SG : rot 78:sc= 0.21 USER MOD Single : A 60 HIS : no HD1:sc= -1.25! C(o=-1.2!,f=-5.3!) USER MOD Single : A 71 LYS NZ :NH3+ -141:sc= -0.114 (180deg=-0.649) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.0727 X(o=-0.073,f=0) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 161:sc= -0.137 (180deg=-0.666) USER MOD Single : A 101 ASN : amide:sc= -0.272 X(o=-0.27,f=-0.54) USER MOD Single : A 102 GLN : amide:sc= -0.113 K(o=-0.11,f=-0.63) USER MOD ----------------------------------------------------------------- ATOM 108 N HIS A 20 12.544 -1.234 -7.608 1.00 0.00 N ATOM 109 CA HIS A 20 11.921 0.007 -8.060 1.00 0.00 C ATOM 110 C HIS A 20 10.581 0.219 -7.358 1.00 0.00 C ATOM 111 O HIS A 20 10.218 1.329 -7.012 1.00 0.00 O ATOM 112 CB HIS A 20 11.720 -0.017 -9.597 1.00 0.00 C ATOM 113 CG HIS A 20 11.370 1.372 -10.097 1.00 0.00 C ATOM 114 ND1 HIS A 20 10.911 2.368 -9.247 1.00 0.00 N ATOM 115 CD2 HIS A 20 11.443 1.945 -11.336 1.00 0.00 C ATOM 116 CE1 HIS A 20 10.728 3.476 -9.975 1.00 0.00 C ATOM 117 NE2 HIS A 20 11.036 3.274 -11.257 1.00 0.00 N ATOM 0 HA HIS A 20 12.583 0.835 -7.806 1.00 0.00 H new ATOM 0 HB2 HIS A 20 12.628 -0.370 -10.085 1.00 0.00 H new ATOM 0 HB3 HIS A 20 10.926 -0.717 -9.857 1.00 0.00 H new ATOM 0 HD1 HIS A 20 10.743 2.273 -8.245 1.00 0.00 H new ATOM 0 HD2 HIS A 20 11.766 1.444 -12.237 1.00 0.00 H new ATOM 0 HE1 HIS A 20 10.375 4.415 -9.575 1.00 0.00 H new ATOM 125 N MET A 21 9.846 -0.874 -7.154 1.00 0.00 N ATOM 126 CA MET A 21 8.528 -0.806 -6.506 1.00 0.00 C ATOM 127 C MET A 21 8.646 -0.145 -5.132 1.00 0.00 C ATOM 128 O MET A 21 7.884 0.759 -4.799 1.00 0.00 O ATOM 129 CB MET A 21 7.972 -2.240 -6.356 1.00 0.00 C ATOM 130 CG MET A 21 7.781 -2.906 -7.743 1.00 0.00 C ATOM 131 SD MET A 21 6.459 -2.060 -8.656 1.00 0.00 S ATOM 132 CE MET A 21 6.563 -3.049 -10.152 1.00 0.00 C ATOM 0 H MET A 21 10.135 -1.814 -7.425 1.00 0.00 H new ATOM 0 HA MET A 21 7.852 -0.209 -7.117 1.00 0.00 H new ATOM 0 HB2 MET A 21 8.654 -2.838 -5.752 1.00 0.00 H new ATOM 0 HB3 MET A 21 7.019 -2.212 -5.827 1.00 0.00 H new ATOM 0 HG2 MET A 21 8.712 -2.862 -8.309 1.00 0.00 H new ATOM 0 HG3 MET A 21 7.533 -3.960 -7.619 1.00 0.00 H new ATOM 0 HE1 MET A 21 5.823 -2.699 -10.872 1.00 0.00 H new ATOM 0 HE2 MET A 21 7.560 -2.955 -10.582 1.00 0.00 H new ATOM 0 HE3 MET A 21 6.368 -4.094 -9.911 1.00 0.00 H new ATOM 142 N ALA A 22 9.607 -0.608 -4.333 1.00 0.00 N ATOM 143 CA ALA A 22 9.813 -0.054 -2.992 1.00 0.00 C ATOM 144 C ALA A 22 10.000 1.462 -3.062 1.00 0.00 C ATOM 145 O ALA A 22 9.429 2.209 -2.269 1.00 0.00 O ATOM 146 CB ALA A 22 11.061 -0.690 -2.355 1.00 0.00 C ATOM 0 H ALA A 22 10.250 -1.358 -4.586 1.00 0.00 H new ATOM 0 HA ALA A 22 8.935 -0.276 -2.386 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.212 -0.276 -1.358 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.923 -1.769 -2.283 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.934 -0.476 -2.972 1.00 0.00 H new ATOM 152 N SER A 23 10.819 1.905 -4.027 1.00 0.00 N ATOM 153 CA SER A 23 11.100 3.339 -4.195 1.00 0.00 C ATOM 154 C SER A 23 9.808 4.137 -4.368 1.00 0.00 C ATOM 155 O SER A 23 9.652 5.203 -3.789 1.00 0.00 O ATOM 156 CB SER A 23 12.002 3.567 -5.429 1.00 0.00 C ATOM 157 OG SER A 23 11.226 3.493 -6.620 1.00 0.00 O ATOM 0 H SER A 23 11.294 1.299 -4.696 1.00 0.00 H new ATOM 0 HA SER A 23 11.611 3.683 -3.296 1.00 0.00 H new ATOM 0 HB2 SER A 23 12.486 4.541 -5.361 1.00 0.00 H new ATOM 0 HB3 SER A 23 12.794 2.818 -5.454 1.00 0.00 H new ATOM 0 HG SER A 23 10.597 2.745 -6.554 1.00 0.00 H new ATOM 163 N LYS A 24 8.880 3.593 -5.166 1.00 0.00 N ATOM 164 CA LYS A 24 7.590 4.259 -5.421 1.00 0.00 C ATOM 165 C LYS A 24 6.816 4.439 -4.129 1.00 0.00 C ATOM 166 O LYS A 24 6.203 5.487 -3.895 1.00 0.00 O ATOM 167 CB LYS A 24 6.753 3.420 -6.416 1.00 0.00 C ATOM 168 CG LYS A 24 7.470 3.359 -7.789 1.00 0.00 C ATOM 169 CD LYS A 24 6.654 2.496 -8.787 1.00 0.00 C ATOM 170 CE LYS A 24 7.395 2.417 -10.135 1.00 0.00 C ATOM 171 NZ LYS A 24 7.585 3.801 -10.656 1.00 0.00 N ATOM 0 H LYS A 24 8.994 2.700 -5.645 1.00 0.00 H new ATOM 0 HA LYS A 24 7.788 5.242 -5.850 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.610 2.412 -6.025 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.762 3.860 -6.533 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.594 4.366 -8.187 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.468 2.939 -7.667 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.509 1.494 -8.382 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.664 2.928 -8.931 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.359 1.925 -10.008 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.824 1.820 -10.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.945 3.759 -11.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.675 4.304 -10.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.268 4.307 -10.057 1.00 0.00 H new ATOM 185 N ARG A 25 6.838 3.410 -3.289 1.00 0.00 N ATOM 186 CA ARG A 25 6.124 3.469 -2.019 1.00 0.00 C ATOM 187 C ARG A 25 6.717 4.574 -1.139 1.00 0.00 C ATOM 188 O ARG A 25 5.989 5.356 -0.519 1.00 0.00 O ATOM 189 CB ARG A 25 6.235 2.105 -1.304 1.00 0.00 C ATOM 190 CG ARG A 25 5.378 2.093 -0.003 1.00 0.00 C ATOM 191 CD ARG A 25 5.425 0.714 0.667 1.00 0.00 C ATOM 192 NE ARG A 25 4.656 0.768 1.912 1.00 0.00 N ATOM 193 CZ ARG A 25 5.131 1.371 3.016 1.00 0.00 C ATOM 194 NH1 ARG A 25 6.308 1.946 3.006 1.00 0.00 N ATOM 195 NH2 ARG A 25 4.410 1.390 4.098 1.00 0.00 N ATOM 0 H ARG A 25 7.335 2.536 -3.461 1.00 0.00 H new ATOM 0 HA ARG A 25 5.073 3.693 -2.203 1.00 0.00 H new ATOM 0 HB2 ARG A 25 5.902 1.311 -1.972 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.278 1.900 -1.060 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.747 2.851 0.688 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.346 2.353 -0.239 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.012 -0.044 0.001 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.457 0.429 0.873 1.00 0.00 H new ATOM 0 HE ARG A 25 3.733 0.335 1.943 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.872 1.939 2.156 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.660 2.401 3.848 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.490 0.949 4.106 1.00 0.00 H new ATOM 0 HH22 ARG A 25 4.764 1.846 4.939 1.00 0.00 H new ATOM 209 N ASP A 26 8.053 4.611 -1.085 1.00 0.00 N ATOM 210 CA ASP A 26 8.759 5.599 -0.274 1.00 0.00 C ATOM 211 C ASP A 26 8.611 6.973 -0.884 1.00 0.00 C ATOM 212 O ASP A 26 8.696 7.973 -0.179 1.00 0.00 O ATOM 213 CB ASP A 26 10.257 5.235 -0.164 1.00 0.00 C ATOM 214 CG ASP A 26 10.401 3.819 0.395 1.00 0.00 C ATOM 215 OD1 ASP A 26 9.707 3.513 1.349 1.00 0.00 O ATOM 216 OD2 ASP A 26 11.199 3.066 -0.139 1.00 0.00 O ATOM 0 H ASP A 26 8.662 3.969 -1.593 1.00 0.00 H new ATOM 0 HA ASP A 26 8.323 5.602 0.725 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.730 5.300 -1.144 1.00 0.00 H new ATOM 0 HB3 ASP A 26 10.768 5.947 0.485 1.00 0.00 H new ATOM 221 N LYS A 27 8.419 7.009 -2.211 1.00 0.00 N ATOM 222 CA LYS A 27 8.304 8.275 -2.924 1.00 0.00 C ATOM 223 C LYS A 27 7.140 9.102 -2.388 1.00 0.00 C ATOM 224 O LYS A 27 7.298 10.250 -1.995 1.00 0.00 O ATOM 225 CB LYS A 27 8.092 8.013 -4.438 1.00 0.00 C ATOM 226 CG LYS A 27 8.317 9.313 -5.253 1.00 0.00 C ATOM 227 CD LYS A 27 8.151 9.047 -6.765 1.00 0.00 C ATOM 228 CE LYS A 27 8.379 10.352 -7.552 1.00 0.00 C ATOM 229 NZ LYS A 27 8.221 10.066 -8.990 1.00 0.00 N ATOM 0 H LYS A 27 8.342 6.181 -2.801 1.00 0.00 H new ATOM 0 HA LYS A 27 9.228 8.833 -2.771 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.781 7.240 -4.779 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.083 7.639 -4.610 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.607 10.076 -4.933 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.315 9.704 -5.055 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.861 8.287 -7.090 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.153 8.659 -6.968 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.666 11.114 -7.237 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.375 10.746 -7.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.799 10.732 -9.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.531 9.093 -9.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.221 10.172 -9.257 1.00 0.00 H new ATOM 243 N ILE A 28 5.960 8.486 -2.365 1.00 0.00 N ATOM 244 CA ILE A 28 4.757 9.159 -1.876 1.00 0.00 C ATOM 245 C ILE A 28 4.894 9.461 -0.391 1.00 0.00 C ATOM 246 O ILE A 28 4.469 10.509 0.070 1.00 0.00 O ATOM 247 CB ILE A 28 3.498 8.281 -2.124 1.00 0.00 C ATOM 248 CG1 ILE A 28 3.406 7.918 -3.648 1.00 0.00 C ATOM 249 CG2 ILE A 28 2.205 9.050 -1.675 1.00 0.00 C ATOM 250 CD1 ILE A 28 2.309 6.864 -3.887 1.00 0.00 C ATOM 0 H ILE A 28 5.811 7.527 -2.677 1.00 0.00 H new ATOM 0 HA ILE A 28 4.641 10.095 -2.422 1.00 0.00 H new ATOM 0 HB ILE A 28 3.579 7.365 -1.539 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.190 8.815 -4.229 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.366 7.537 -3.996 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.330 8.425 -1.853 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.272 9.286 -0.613 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.114 9.974 -2.247 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.260 6.625 -4.949 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.542 5.961 -3.322 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.347 7.259 -3.559 1.00 0.00 H new ATOM 262 N ALA A 29 5.455 8.507 0.350 1.00 0.00 N ATOM 263 CA ALA A 29 5.607 8.656 1.803 1.00 0.00 C ATOM 264 C ALA A 29 6.312 9.970 2.170 1.00 0.00 C ATOM 265 O ALA A 29 5.758 10.817 2.883 1.00 0.00 O ATOM 266 CB ALA A 29 6.418 7.472 2.365 1.00 0.00 C ATOM 0 H ALA A 29 5.811 7.627 -0.025 1.00 0.00 H new ATOM 0 HA ALA A 29 4.609 8.672 2.240 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.529 7.586 3.443 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.896 6.539 2.150 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.403 7.452 1.899 1.00 0.00 H new ATOM 272 N ASP A 30 7.548 10.119 1.670 1.00 0.00 N ATOM 273 CA ASP A 30 8.357 11.309 1.950 1.00 0.00 C ATOM 274 C ASP A 30 7.675 12.575 1.448 1.00 0.00 C ATOM 275 O ASP A 30 7.897 13.661 1.978 1.00 0.00 O ATOM 276 CB ASP A 30 9.755 11.161 1.301 1.00 0.00 C ATOM 277 CG ASP A 30 9.671 11.220 -0.227 1.00 0.00 C ATOM 278 OD1 ASP A 30 9.729 12.307 -0.758 1.00 0.00 O ATOM 279 OD2 ASP A 30 9.538 10.191 -0.832 1.00 0.00 O ATOM 0 H ASP A 30 8.006 9.431 1.072 1.00 0.00 H new ATOM 0 HA ASP A 30 8.468 11.397 3.031 1.00 0.00 H new ATOM 0 HB2 ASP A 30 10.411 11.953 1.662 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.201 10.214 1.606 1.00 0.00 H new ATOM 284 N ILE A 31 6.852 12.421 0.409 1.00 0.00 N ATOM 285 CA ILE A 31 6.136 13.563 -0.173 1.00 0.00 C ATOM 286 C ILE A 31 4.884 13.872 0.625 1.00 0.00 C ATOM 287 O ILE A 31 4.517 15.035 0.779 1.00 0.00 O ATOM 288 CB ILE A 31 5.742 13.236 -1.653 1.00 0.00 C ATOM 289 CG1 ILE A 31 7.028 13.183 -2.542 1.00 0.00 C ATOM 290 CG2 ILE A 31 4.747 14.305 -2.233 1.00 0.00 C ATOM 291 CD1 ILE A 31 6.717 12.633 -3.946 1.00 0.00 C ATOM 0 H ILE A 31 6.664 11.527 -0.045 1.00 0.00 H new ATOM 0 HA ILE A 31 6.791 14.434 -0.148 1.00 0.00 H new ATOM 0 HB ILE A 31 5.243 12.267 -1.662 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.455 14.182 -2.627 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.779 12.556 -2.062 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.495 14.047 -3.262 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.839 14.322 -1.630 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.216 15.289 -2.210 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.632 12.609 -4.538 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.314 11.624 -3.860 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.985 13.276 -4.435 1.00 0.00 H new ATOM 303 N GLN A 32 4.217 12.832 1.110 1.00 0.00 N ATOM 304 CA GLN A 32 2.962 13.001 1.857 1.00 0.00 C ATOM 305 C GLN A 32 3.132 14.004 2.982 1.00 0.00 C ATOM 306 O GLN A 32 2.387 14.979 3.081 1.00 0.00 O ATOM 307 CB GLN A 32 2.484 11.620 2.431 1.00 0.00 C ATOM 308 CG GLN A 32 1.178 11.147 1.738 1.00 0.00 C ATOM 309 CD GLN A 32 0.734 9.793 2.286 1.00 0.00 C ATOM 310 OE1 GLN A 32 1.332 9.261 3.225 1.00 0.00 O ATOM 311 NE2 GLN A 32 -0.287 9.210 1.751 1.00 0.00 N ATOM 0 H GLN A 32 4.517 11.863 1.004 1.00 0.00 H new ATOM 0 HA GLN A 32 2.205 13.382 1.171 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.265 10.874 2.289 1.00 0.00 H new ATOM 0 HB3 GLN A 32 2.318 11.707 3.505 1.00 0.00 H new ATOM 0 HG2 GLN A 32 0.390 11.884 1.895 1.00 0.00 H new ATOM 0 HG3 GLN A 32 1.337 11.075 0.662 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -0.779 9.653 0.975 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -0.602 8.306 2.105 1.00 0.00 H new ATOM 320 N GLU A 33 4.098 13.726 3.845 1.00 0.00 N ATOM 321 CA GLU A 33 4.352 14.591 4.991 1.00 0.00 C ATOM 322 C GLU A 33 4.780 15.966 4.534 1.00 0.00 C ATOM 323 O GLU A 33 4.293 16.967 5.051 1.00 0.00 O ATOM 324 CB GLU A 33 5.467 13.995 5.868 1.00 0.00 C ATOM 325 CG GLU A 33 5.040 12.603 6.394 1.00 0.00 C ATOM 326 CD GLU A 33 6.137 12.019 7.286 1.00 0.00 C ATOM 327 OE1 GLU A 33 7.295 12.153 6.922 1.00 0.00 O ATOM 328 OE2 GLU A 33 5.804 11.467 8.318 1.00 0.00 O ATOM 0 H GLU A 33 4.715 12.916 3.776 1.00 0.00 H new ATOM 0 HA GLU A 33 3.429 14.669 5.565 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.388 13.908 5.291 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.677 14.660 6.705 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.110 12.688 6.956 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.846 11.933 5.556 1.00 0.00 H new ATOM 335 N ALA A 34 5.771 16.012 3.624 1.00 0.00 N ATOM 336 CA ALA A 34 6.370 17.277 3.209 1.00 0.00 C ATOM 337 C ALA A 34 5.325 18.345 2.985 1.00 0.00 C ATOM 338 O ALA A 34 5.343 19.306 3.711 1.00 0.00 O ATOM 339 CB ALA A 34 7.106 17.056 1.867 1.00 0.00 C ATOM 0 H ALA A 34 6.166 15.189 3.169 1.00 0.00 H new ATOM 0 HA ALA A 34 7.046 17.604 3.999 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.560 17.992 1.542 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.883 16.303 1.998 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.395 16.717 1.114 1.00 0.00 H new ATOM 345 N LEU A 35 4.396 18.133 2.071 1.00 0.00 N ATOM 346 CA LEU A 35 3.305 19.102 1.829 1.00 0.00 C ATOM 347 C LEU A 35 2.330 19.171 3.024 1.00 0.00 C ATOM 348 O LEU A 35 2.057 20.245 3.549 1.00 0.00 O ATOM 349 CB LEU A 35 2.560 18.695 0.536 1.00 0.00 C ATOM 350 CG LEU A 35 2.073 17.180 0.610 1.00 0.00 C ATOM 351 CD1 LEU A 35 0.529 17.082 0.845 1.00 0.00 C ATOM 352 CD2 LEU A 35 2.445 16.412 -0.671 1.00 0.00 C ATOM 0 H LEU A 35 4.362 17.304 1.477 1.00 0.00 H new ATOM 0 HA LEU A 35 3.733 20.098 1.713 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.702 19.350 0.385 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.217 18.828 -0.324 1.00 0.00 H new ATOM 0 HG LEU A 35 2.585 16.726 1.459 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.234 16.034 0.890 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.272 17.572 1.784 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.004 17.572 0.025 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.100 15.381 -0.591 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.972 16.887 -1.530 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.527 16.423 -0.800 1.00 0.00 H new ATOM 364 N ALA A 36 1.747 18.022 3.414 1.00 0.00 N ATOM 365 CA ALA A 36 0.752 17.980 4.496 1.00 0.00 C ATOM 366 C ALA A 36 1.264 18.761 5.708 1.00 0.00 C ATOM 367 O ALA A 36 0.660 19.741 6.141 1.00 0.00 O ATOM 368 CB ALA A 36 0.483 16.508 4.872 1.00 0.00 C ATOM 0 H ALA A 36 1.949 17.114 2.996 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.178 18.441 4.163 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.254 16.466 5.674 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.103 15.974 4.001 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.410 16.043 5.207 1.00 0.00 H new ATOM 374 N HIS A 37 2.406 18.326 6.208 1.00 0.00 N ATOM 375 CA HIS A 37 3.091 18.946 7.345 1.00 0.00 C ATOM 376 C HIS A 37 3.837 20.179 6.895 1.00 0.00 C ATOM 377 O HIS A 37 4.820 20.562 7.540 1.00 0.00 O ATOM 378 CB HIS A 37 4.051 17.935 8.023 1.00 0.00 C ATOM 379 CG HIS A 37 3.261 16.788 8.602 1.00 0.00 C ATOM 380 ND1 HIS A 37 3.815 15.921 9.519 1.00 0.00 N ATOM 381 CD2 HIS A 37 1.955 16.378 8.435 1.00 0.00 C ATOM 382 CE1 HIS A 37 2.861 15.044 9.867 1.00 0.00 C ATOM 383 NE2 HIS A 37 1.710 15.279 9.234 1.00 0.00 N ATOM 0 H HIS A 37 2.899 17.516 5.833 1.00 0.00 H new ATOM 0 HA HIS A 37 2.345 19.245 8.081 1.00 0.00 H new ATOM 0 HB2 HIS A 37 4.772 17.561 7.296 1.00 0.00 H new ATOM 0 HB3 HIS A 37 4.619 18.431 8.810 1.00 0.00 H new ATOM 0 HD2 HIS A 37 1.234 16.845 7.780 1.00 0.00 H new ATOM 0 HE1 HIS A 37 3.007 14.242 10.576 1.00 0.00 H new ATOM 0 HE2 HIS A 37 0.837 14.759 9.322 1.00 0.00 H new ATOM 391 N ALA A 38 3.391 20.804 5.789 1.00 0.00 N ATOM 392 CA ALA A 38 4.057 22.018 5.288 1.00 0.00 C ATOM 393 C ALA A 38 3.212 23.235 5.468 1.00 0.00 C ATOM 394 O ALA A 38 3.694 24.167 6.093 1.00 0.00 O ATOM 395 CB ALA A 38 4.359 21.916 3.779 1.00 0.00 C ATOM 0 H ALA A 38 2.590 20.496 5.237 1.00 0.00 H new ATOM 0 HA ALA A 38 4.977 22.102 5.867 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.850 22.829 3.444 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.013 21.064 3.596 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.427 21.783 3.230 1.00 0.00 H new ATOM 401 N ASP A 39 1.951 23.203 4.915 1.00 0.00 N ATOM 402 CA ASP A 39 0.978 24.358 4.954 1.00 0.00 C ATOM 403 C ASP A 39 1.584 25.580 5.673 1.00 0.00 C ATOM 404 O ASP A 39 1.014 26.122 6.622 1.00 0.00 O ATOM 405 CB ASP A 39 -0.344 23.935 5.640 1.00 0.00 C ATOM 406 CG ASP A 39 -0.063 23.471 7.070 1.00 0.00 C ATOM 407 OD1 ASP A 39 0.825 22.651 7.235 1.00 0.00 O ATOM 408 OD2 ASP A 39 -0.722 23.952 7.980 1.00 0.00 O ATOM 0 H ASP A 39 1.582 22.383 4.433 1.00 0.00 H new ATOM 0 HA ASP A 39 0.764 24.644 3.924 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.042 24.772 5.651 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.817 23.132 5.074 1.00 0.00 H new ATOM 413 N ALA A 40 2.823 25.924 5.268 1.00 0.00 N ATOM 414 CA ALA A 40 3.588 26.970 5.923 1.00 0.00 C ATOM 415 C ALA A 40 2.879 28.292 5.819 1.00 0.00 C ATOM 416 O ALA A 40 2.660 28.971 6.823 1.00 0.00 O ATOM 417 CB ALA A 40 4.995 27.078 5.277 1.00 0.00 C ATOM 0 H ALA A 40 3.305 25.482 4.485 1.00 0.00 H new ATOM 0 HA ALA A 40 3.691 26.713 6.977 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.564 27.865 5.773 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.519 26.128 5.385 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.892 27.317 4.219 1.00 0.00 H new ATOM 423 N ASN A 41 2.511 28.644 4.588 1.00 0.00 N ATOM 424 CA ASN A 41 1.821 29.907 4.330 1.00 0.00 C ATOM 425 C ASN A 41 0.324 29.748 4.490 1.00 0.00 C ATOM 426 O ASN A 41 -0.383 30.747 4.566 1.00 0.00 O ATOM 427 CB ASN A 41 2.156 30.372 2.895 1.00 0.00 C ATOM 428 CG ASN A 41 3.674 30.474 2.728 1.00 0.00 C ATOM 429 OD1 ASN A 41 4.247 29.843 1.840 1.00 0.00 O ATOM 430 ND2 ASN A 41 4.357 31.232 3.539 1.00 0.00 N ATOM 0 H ASN A 41 2.678 28.076 3.758 1.00 0.00 H new ATOM 0 HA ASN A 41 2.156 30.652 5.051 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.747 29.669 2.170 1.00 0.00 H new ATOM 0 HB3 ASN A 41 1.693 31.339 2.698 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.370 31.304 3.439 1.00 0.00 H new ATOM 0 HD22 ASN A 41 3.879 31.754 4.274 1.00 0.00 H new ATOM 437 N ALA A 42 -0.155 28.497 4.529 1.00 0.00 N ATOM 438 CA ALA A 42 -1.595 28.222 4.677 1.00 0.00 C ATOM 439 C ALA A 42 -2.391 28.792 3.491 1.00 0.00 C ATOM 440 O ALA A 42 -3.342 29.554 3.681 1.00 0.00 O ATOM 441 CB ALA A 42 -2.116 28.820 6.017 1.00 0.00 C ATOM 0 H ALA A 42 0.428 27.663 4.461 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.739 27.142 4.690 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.181 28.612 6.118 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.577 28.369 6.850 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.955 29.898 6.021 1.00 0.00 H new ATOM 447 N ASP A 43 -1.993 28.414 2.264 1.00 0.00 N ATOM 448 CA ASP A 43 -2.669 28.883 1.034 1.00 0.00 C ATOM 449 C ASP A 43 -3.601 27.815 0.514 1.00 0.00 C ATOM 450 O ASP A 43 -4.552 28.130 -0.196 1.00 0.00 O ATOM 451 CB ASP A 43 -1.621 29.258 -0.029 1.00 0.00 C ATOM 452 CG ASP A 43 -0.683 30.336 0.525 1.00 0.00 C ATOM 453 OD1 ASP A 43 -1.136 31.151 1.318 1.00 0.00 O ATOM 454 OD2 ASP A 43 0.473 30.337 0.141 1.00 0.00 O ATOM 0 H ASP A 43 -1.208 27.786 2.094 1.00 0.00 H new ATOM 0 HA ASP A 43 -3.260 29.769 1.265 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.048 28.376 -0.315 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.117 29.622 -0.929 1.00 0.00 H new ATOM 459 N GLN A 44 -3.320 26.553 0.864 1.00 0.00 N ATOM 460 CA GLN A 44 -4.151 25.418 0.442 1.00 0.00 C ATOM 461 C GLN A 44 -4.104 25.227 -1.055 1.00 0.00 C ATOM 462 O GLN A 44 -4.873 24.435 -1.599 1.00 0.00 O ATOM 463 CB GLN A 44 -5.628 25.617 0.917 1.00 0.00 C ATOM 464 CG GLN A 44 -5.668 25.844 2.454 1.00 0.00 C ATOM 465 CD GLN A 44 -5.230 24.572 3.185 1.00 0.00 C ATOM 466 OE1 GLN A 44 -5.840 23.520 2.997 1.00 0.00 O ATOM 467 NE2 GLN A 44 -4.190 24.592 3.970 1.00 0.00 N ATOM 0 H GLN A 44 -2.520 26.292 1.441 1.00 0.00 H new ATOM 0 HA GLN A 44 -3.747 24.519 0.907 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.072 26.470 0.404 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.224 24.743 0.655 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.013 26.672 2.724 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.676 26.121 2.762 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.685 25.464 4.125 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -3.881 23.735 4.429 1.00 0.00 H new ATOM 476 N HIS A 45 -3.197 25.950 -1.720 1.00 0.00 N ATOM 477 CA HIS A 45 -3.026 25.860 -3.177 1.00 0.00 C ATOM 478 C HIS A 45 -1.586 25.449 -3.471 1.00 0.00 C ATOM 479 O HIS A 45 -0.648 25.958 -2.856 1.00 0.00 O ATOM 480 CB HIS A 45 -3.322 27.234 -3.833 1.00 0.00 C ATOM 481 CG HIS A 45 -3.097 27.146 -5.326 1.00 0.00 C ATOM 482 ND1 HIS A 45 -1.859 26.833 -5.864 1.00 0.00 N ATOM 483 CD2 HIS A 45 -3.943 27.263 -6.384 1.00 0.00 C ATOM 484 CE1 HIS A 45 -1.999 26.766 -7.189 1.00 0.00 C ATOM 485 NE2 HIS A 45 -3.251 27.021 -7.561 1.00 0.00 N ATOM 0 H HIS A 45 -2.564 26.610 -1.269 1.00 0.00 H new ATOM 0 HA HIS A 45 -3.718 25.123 -3.585 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.350 27.532 -3.628 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -2.676 28.000 -3.403 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -0.996 26.681 -5.341 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.993 27.507 -6.318 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -1.197 26.534 -7.874 1.00 0.00 H new ATOM 493 N LEU A 46 -1.432 24.523 -4.423 1.00 0.00 N ATOM 494 CA LEU A 46 -0.122 24.016 -4.826 1.00 0.00 C ATOM 495 C LEU A 46 0.379 24.735 -6.065 1.00 0.00 C ATOM 496 O LEU A 46 0.012 24.387 -7.188 1.00 0.00 O ATOM 497 CB LEU A 46 -0.237 22.499 -5.127 1.00 0.00 C ATOM 498 CG LEU A 46 -0.894 21.737 -3.925 1.00 0.00 C ATOM 499 CD1 LEU A 46 -1.039 20.236 -4.279 1.00 0.00 C ATOM 500 CD2 LEU A 46 -0.058 21.916 -2.608 1.00 0.00 C ATOM 0 H LEU A 46 -2.211 24.107 -4.933 1.00 0.00 H new ATOM 0 HA LEU A 46 0.585 24.190 -4.015 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.832 22.347 -6.028 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.753 22.088 -5.326 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.882 22.162 -3.745 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.496 19.707 -3.442 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.668 20.130 -5.163 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.055 19.813 -4.481 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.541 21.375 -1.794 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.947 21.523 -2.759 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.001 22.975 -2.355 1.00 0.00 H new ATOM 512 N ASP A 47 1.246 25.729 -5.849 1.00 0.00 N ATOM 513 CA ASP A 47 1.850 26.492 -6.940 1.00 0.00 C ATOM 514 C ASP A 47 3.229 25.919 -7.160 1.00 0.00 C ATOM 515 O ASP A 47 3.857 25.430 -6.210 1.00 0.00 O ATOM 516 CB ASP A 47 1.923 27.982 -6.572 1.00 0.00 C ATOM 517 CG ASP A 47 0.518 28.486 -6.258 1.00 0.00 C ATOM 518 OD1 ASP A 47 -0.167 28.886 -7.185 1.00 0.00 O ATOM 519 OD2 ASP A 47 0.138 28.442 -5.099 1.00 0.00 O ATOM 0 H ASP A 47 1.546 26.024 -4.920 1.00 0.00 H new ATOM 0 HA ASP A 47 1.256 26.418 -7.851 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.576 28.125 -5.711 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.352 28.553 -7.396 1.00 0.00 H new ATOM 524 N PHE A 48 3.692 25.945 -8.410 1.00 0.00 N ATOM 525 CA PHE A 48 4.987 25.398 -8.789 1.00 0.00 C ATOM 526 C PHE A 48 6.083 25.699 -7.778 1.00 0.00 C ATOM 527 O PHE A 48 6.813 24.799 -7.360 1.00 0.00 O ATOM 528 CB PHE A 48 5.412 26.009 -10.147 1.00 0.00 C ATOM 529 CG PHE A 48 6.690 25.294 -10.650 1.00 0.00 C ATOM 530 CD1 PHE A 48 6.582 23.995 -11.179 1.00 0.00 C ATOM 531 CD2 PHE A 48 7.963 25.903 -10.549 1.00 0.00 C ATOM 532 CE1 PHE A 48 7.723 23.316 -11.612 1.00 0.00 C ATOM 533 CE2 PHE A 48 9.103 25.218 -10.988 1.00 0.00 C ATOM 534 CZ PHE A 48 8.982 23.925 -11.520 1.00 0.00 C ATOM 0 H PHE A 48 3.173 26.349 -9.190 1.00 0.00 H new ATOM 0 HA PHE A 48 4.869 24.316 -8.843 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.609 25.899 -10.876 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.598 27.077 -10.036 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.614 23.521 -11.250 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.056 26.896 -10.134 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.635 22.319 -12.019 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.074 25.684 -10.917 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.861 23.398 -11.859 1.00 0.00 H new ATOM 544 N ASP A 49 6.183 26.971 -7.374 1.00 0.00 N ATOM 545 CA ASP A 49 7.199 27.390 -6.419 1.00 0.00 C ATOM 546 C ASP A 49 7.192 26.517 -5.177 1.00 0.00 C ATOM 547 O ASP A 49 8.196 25.920 -4.835 1.00 0.00 O ATOM 548 CB ASP A 49 6.937 28.864 -5.998 1.00 0.00 C ATOM 549 CG ASP A 49 8.065 29.376 -5.082 1.00 0.00 C ATOM 550 OD1 ASP A 49 8.088 28.967 -3.933 1.00 0.00 O ATOM 551 OD2 ASP A 49 8.888 30.138 -5.554 1.00 0.00 O ATOM 0 H ASP A 49 5.572 27.721 -7.696 1.00 0.00 H new ATOM 0 HA ASP A 49 8.171 27.295 -6.902 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.867 29.494 -6.885 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.980 28.935 -5.480 1.00 0.00 H new ATOM 556 N GLU A 50 6.039 26.432 -4.520 1.00 0.00 N ATOM 557 CA GLU A 50 5.925 25.633 -3.309 1.00 0.00 C ATOM 558 C GLU A 50 6.238 24.167 -3.580 1.00 0.00 C ATOM 559 O GLU A 50 7.047 23.567 -2.890 1.00 0.00 O ATOM 560 CB GLU A 50 4.491 25.751 -2.738 1.00 0.00 C ATOM 561 CG GLU A 50 4.382 25.052 -1.344 1.00 0.00 C ATOM 562 CD GLU A 50 2.973 25.168 -0.765 1.00 0.00 C ATOM 563 OE1 GLU A 50 2.061 25.510 -1.503 1.00 0.00 O ATOM 564 OE2 GLU A 50 2.829 24.907 0.416 1.00 0.00 O ATOM 0 H GLU A 50 5.179 26.902 -4.804 1.00 0.00 H new ATOM 0 HA GLU A 50 6.648 26.012 -2.587 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.219 26.802 -2.644 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.782 25.299 -3.431 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.650 24.000 -1.442 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.097 25.500 -0.655 1.00 0.00 H new ATOM 571 N TRP A 51 5.572 23.593 -4.585 1.00 0.00 N ATOM 572 CA TRP A 51 5.764 22.176 -4.895 1.00 0.00 C ATOM 573 C TRP A 51 7.211 21.881 -5.242 1.00 0.00 C ATOM 574 O TRP A 51 7.867 21.060 -4.593 1.00 0.00 O ATOM 575 CB TRP A 51 4.858 21.792 -6.084 1.00 0.00 C ATOM 576 CG TRP A 51 4.917 20.302 -6.304 1.00 0.00 C ATOM 577 CD1 TRP A 51 5.769 19.661 -7.137 1.00 0.00 C ATOM 578 CD2 TRP A 51 4.138 19.274 -5.640 1.00 0.00 C ATOM 579 NE1 TRP A 51 5.527 18.307 -7.058 1.00 0.00 N ATOM 580 CE2 TRP A 51 4.530 18.018 -6.148 1.00 0.00 C ATOM 581 CE3 TRP A 51 3.125 19.312 -4.666 1.00 0.00 C ATOM 582 CZ2 TRP A 51 3.944 16.834 -5.710 1.00 0.00 C ATOM 583 CZ3 TRP A 51 2.535 18.118 -4.219 1.00 0.00 C ATOM 584 CH2 TRP A 51 2.941 16.881 -4.741 1.00 0.00 C ATOM 0 H TRP A 51 4.907 24.078 -5.188 1.00 0.00 H new ATOM 0 HA TRP A 51 5.501 21.589 -4.015 1.00 0.00 H new ATOM 0 HB2 TRP A 51 3.831 22.100 -5.886 1.00 0.00 H new ATOM 0 HB3 TRP A 51 5.180 22.316 -6.984 1.00 0.00 H new ATOM 0 HD1 TRP A 51 6.515 20.132 -7.760 1.00 0.00 H new ATOM 0 HE1 TRP A 51 6.024 17.604 -7.605 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.800 20.259 -4.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.263 15.886 -6.117 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.761 18.153 -3.466 1.00 0.00 H new ATOM 0 HH2 TRP A 51 2.479 15.968 -4.394 1.00 0.00 H new ATOM 595 N ARG A 52 7.691 22.539 -6.287 1.00 0.00 N ATOM 596 CA ARG A 52 9.040 22.320 -6.752 1.00 0.00 C ATOM 597 C ARG A 52 10.078 22.496 -5.647 1.00 0.00 C ATOM 598 O ARG A 52 10.853 21.605 -5.399 1.00 0.00 O ATOM 599 CB ARG A 52 9.369 23.338 -7.881 1.00 0.00 C ATOM 600 CG ARG A 52 10.854 23.133 -8.445 1.00 0.00 C ATOM 601 CD ARG A 52 11.770 24.284 -7.993 1.00 0.00 C ATOM 602 NE ARG A 52 13.129 24.065 -8.480 1.00 0.00 N ATOM 603 CZ ARG A 52 14.097 24.967 -8.284 1.00 0.00 C ATOM 604 NH1 ARG A 52 13.839 26.072 -7.632 1.00 0.00 N ATOM 605 NH2 ARG A 52 15.289 24.744 -8.745 1.00 0.00 N ATOM 0 H ARG A 52 7.162 23.227 -6.824 1.00 0.00 H new ATOM 0 HA ARG A 52 9.088 21.291 -7.109 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.652 23.225 -8.694 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.261 24.353 -7.499 1.00 0.00 H new ATOM 0 HG2 ARG A 52 11.255 22.183 -8.092 1.00 0.00 H new ATOM 0 HG3 ARG A 52 10.832 23.085 -9.534 1.00 0.00 H new ATOM 0 HD2 ARG A 52 11.388 25.233 -8.371 1.00 0.00 H new ATOM 0 HD3 ARG A 52 11.772 24.352 -6.905 1.00 0.00 H new ATOM 0 HE ARG A 52 13.345 23.204 -8.982 1.00 0.00 H new ATOM 0 HH11 ARG A 52 12.900 26.245 -7.273 1.00 0.00 H new ATOM 0 HH12 ARG A 52 14.577 26.760 -7.482 1.00 0.00 H new ATOM 0 HH21 ARG A 52 15.486 23.883 -9.255 1.00 0.00 H new ATOM 0 HH22 ARG A 52 16.029 25.430 -8.597 1.00 0.00 H new ATOM 619 N GLN A 53 10.053 23.641 -4.984 1.00 0.00 N ATOM 620 CA GLN A 53 11.024 23.935 -3.918 1.00 0.00 C ATOM 621 C GLN A 53 10.903 22.994 -2.737 1.00 0.00 C ATOM 622 O GLN A 53 11.915 22.498 -2.218 1.00 0.00 O ATOM 623 CB GLN A 53 10.818 25.385 -3.432 1.00 0.00 C ATOM 624 CG GLN A 53 11.137 26.388 -4.581 1.00 0.00 C ATOM 625 CD GLN A 53 10.846 27.824 -4.142 1.00 0.00 C ATOM 626 OE1 GLN A 53 10.439 28.071 -3.005 1.00 0.00 O ATOM 627 NE2 GLN A 53 11.039 28.790 -4.985 1.00 0.00 N ATOM 0 H GLN A 53 9.378 24.386 -5.157 1.00 0.00 H new ATOM 0 HA GLN A 53 12.020 23.800 -4.340 1.00 0.00 H new ATOM 0 HB2 GLN A 53 9.790 25.521 -3.096 1.00 0.00 H new ATOM 0 HB3 GLN A 53 11.463 25.584 -2.576 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.184 26.296 -4.870 1.00 0.00 H new ATOM 0 HG3 GLN A 53 10.541 26.143 -5.460 1.00 0.00 H new ATOM 0 HE21 GLN A 53 11.376 28.586 -5.926 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.854 29.754 -4.707 1.00 0.00 H new ATOM 636 N GLU A 54 9.668 22.765 -2.301 1.00 0.00 N ATOM 637 CA GLU A 54 9.436 21.915 -1.145 1.00 0.00 C ATOM 638 C GLU A 54 9.978 20.504 -1.358 1.00 0.00 C ATOM 639 O GLU A 54 10.719 19.979 -0.527 1.00 0.00 O ATOM 640 CB GLU A 54 7.907 21.838 -0.834 1.00 0.00 C ATOM 641 CG GLU A 54 7.631 21.007 0.460 1.00 0.00 C ATOM 642 CD GLU A 54 8.222 21.710 1.695 1.00 0.00 C ATOM 643 OE1 GLU A 54 8.284 22.932 1.688 1.00 0.00 O ATOM 644 OE2 GLU A 54 8.633 21.018 2.608 1.00 0.00 O ATOM 0 H GLU A 54 8.825 23.151 -2.726 1.00 0.00 H new ATOM 0 HA GLU A 54 9.967 22.360 -0.303 1.00 0.00 H new ATOM 0 HB2 GLU A 54 7.507 22.845 -0.714 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.385 21.386 -1.677 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.557 20.874 0.590 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.065 20.012 0.359 1.00 0.00 H new ATOM 651 N LEU A 55 9.561 19.891 -2.455 1.00 0.00 N ATOM 652 CA LEU A 55 9.958 18.515 -2.763 1.00 0.00 C ATOM 653 C LEU A 55 11.378 18.437 -3.230 1.00 0.00 C ATOM 654 O LEU A 55 12.028 17.407 -3.070 1.00 0.00 O ATOM 655 CB LEU A 55 9.040 17.922 -3.867 1.00 0.00 C ATOM 656 CG LEU A 55 7.723 17.308 -3.272 1.00 0.00 C ATOM 657 CD1 LEU A 55 6.827 18.415 -2.661 1.00 0.00 C ATOM 658 CD2 LEU A 55 6.978 16.519 -4.378 1.00 0.00 C ATOM 0 H LEU A 55 8.949 20.319 -3.149 1.00 0.00 H new ATOM 0 HA LEU A 55 9.860 17.942 -1.841 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.784 18.703 -4.583 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.583 17.152 -4.415 1.00 0.00 H new ATOM 0 HG LEU A 55 7.977 16.620 -2.466 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.920 17.966 -2.255 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.369 18.923 -1.863 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.560 19.135 -3.434 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.063 16.092 -3.967 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.728 17.191 -5.199 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.618 15.718 -4.748 1.00 0.00 H new ATOM 670 N LYS A 56 11.861 19.500 -3.834 1.00 0.00 N ATOM 671 CA LYS A 56 13.216 19.491 -4.355 1.00 0.00 C ATOM 672 C LYS A 56 14.248 19.189 -3.277 1.00 0.00 C ATOM 673 O LYS A 56 15.145 18.365 -3.488 1.00 0.00 O ATOM 674 CB LYS A 56 13.537 20.860 -4.978 1.00 0.00 C ATOM 675 CG LYS A 56 14.958 20.880 -5.618 1.00 0.00 C ATOM 676 CD LYS A 56 15.268 22.289 -6.237 1.00 0.00 C ATOM 677 CE LYS A 56 15.970 23.193 -5.194 1.00 0.00 C ATOM 678 NZ LYS A 56 17.307 22.608 -4.891 1.00 0.00 N ATOM 0 H LYS A 56 11.348 20.370 -3.977 1.00 0.00 H new ATOM 0 HA LYS A 56 13.269 18.701 -5.104 1.00 0.00 H new ATOM 0 HB2 LYS A 56 12.792 21.099 -5.737 1.00 0.00 H new ATOM 0 HB3 LYS A 56 13.471 21.633 -4.213 1.00 0.00 H new ATOM 0 HG2 LYS A 56 15.706 20.636 -4.863 1.00 0.00 H new ATOM 0 HG3 LYS A 56 15.025 20.115 -6.391 1.00 0.00 H new ATOM 0 HD2 LYS A 56 15.903 22.176 -7.116 1.00 0.00 H new ATOM 0 HD3 LYS A 56 14.343 22.758 -6.571 1.00 0.00 H new ATOM 0 HE2 LYS A 56 16.078 24.206 -5.581 1.00 0.00 H new ATOM 0 HE3 LYS A 56 15.371 23.261 -4.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 17.978 23.371 -4.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 17.229 21.969 -4.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 17.648 22.075 -5.716 1.00 0.00 H new ATOM 692 N CYS A 57 14.136 19.871 -2.136 1.00 0.00 N ATOM 693 CA CYS A 57 15.099 19.691 -1.047 1.00 0.00 C ATOM 694 C CYS A 57 15.026 18.292 -0.480 1.00 0.00 C ATOM 695 O CYS A 57 15.865 17.904 0.333 1.00 0.00 O ATOM 696 CB CYS A 57 14.808 20.721 0.063 1.00 0.00 C ATOM 697 SG CYS A 57 14.939 22.387 -0.632 1.00 0.00 S ATOM 0 H CYS A 57 13.397 20.546 -1.942 1.00 0.00 H new ATOM 0 HA CYS A 57 16.104 19.842 -1.442 1.00 0.00 H new ATOM 0 HB2 CYS A 57 13.811 20.561 0.473 1.00 0.00 H new ATOM 0 HB3 CYS A 57 15.514 20.599 0.885 1.00 0.00 H new ATOM 0 HG CYS A 57 13.862 22.662 -1.307 1.00 0.00 H new ATOM 703 N ARG A 58 14.006 17.541 -0.902 1.00 0.00 N ATOM 704 CA ARG A 58 13.812 16.180 -0.408 1.00 0.00 C ATOM 705 C ARG A 58 14.703 15.192 -1.143 1.00 0.00 C ATOM 706 O ARG A 58 14.401 13.996 -1.201 1.00 0.00 O ATOM 707 CB ARG A 58 12.321 15.760 -0.558 1.00 0.00 C ATOM 708 CG ARG A 58 11.976 14.562 0.425 1.00 0.00 C ATOM 709 CD ARG A 58 11.179 15.089 1.633 1.00 0.00 C ATOM 710 NE ARG A 58 11.897 16.218 2.259 1.00 0.00 N ATOM 711 CZ ARG A 58 11.377 16.897 3.287 1.00 0.00 C ATOM 712 NH1 ARG A 58 10.202 16.568 3.748 1.00 0.00 N ATOM 713 NH2 ARG A 58 12.037 17.888 3.823 1.00 0.00 N ATOM 0 H ARG A 58 13.308 17.851 -1.579 1.00 0.00 H new ATOM 0 HA ARG A 58 14.087 16.166 0.647 1.00 0.00 H new ATOM 0 HB2 ARG A 58 11.675 16.611 -0.344 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.124 15.461 -1.587 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.397 13.803 -0.101 1.00 0.00 H new ATOM 0 HG3 ARG A 58 12.894 14.083 0.765 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.188 15.410 1.313 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.035 14.290 2.361 1.00 0.00 H new ATOM 0 HE ARG A 58 12.812 16.486 1.898 1.00 0.00 H new ATOM 0 HH11 ARG A 58 9.686 15.797 3.325 1.00 0.00 H new ATOM 0 HH12 ARG A 58 9.800 17.082 4.532 1.00 0.00 H new ATOM 0 HH21 ARG A 58 12.953 18.147 3.458 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.636 18.403 4.607 1.00 0.00 H new ATOM 727 N GLY A 59 15.795 15.688 -1.706 1.00 0.00 N ATOM 728 CA GLY A 59 16.736 14.842 -2.445 1.00 0.00 C ATOM 729 C GLY A 59 16.306 14.678 -3.889 1.00 0.00 C ATOM 730 O GLY A 59 16.898 13.886 -4.620 1.00 0.00 O ATOM 0 H GLY A 59 16.056 16.673 -1.668 1.00 0.00 H new ATOM 0 HA2 GLY A 59 17.732 15.282 -2.407 1.00 0.00 H new ATOM 0 HA3 GLY A 59 16.801 13.864 -1.969 1.00 0.00 H new ATOM 734 N HIS A 60 15.268 15.429 -4.307 1.00 0.00 N ATOM 735 CA HIS A 60 14.753 15.365 -5.693 1.00 0.00 C ATOM 736 C HIS A 60 15.321 16.540 -6.478 1.00 0.00 C ATOM 737 O HIS A 60 15.578 17.606 -5.917 1.00 0.00 O ATOM 738 CB HIS A 60 13.209 15.418 -5.683 1.00 0.00 C ATOM 739 CG HIS A 60 12.666 14.235 -4.933 1.00 0.00 C ATOM 740 ND1 HIS A 60 13.331 13.673 -3.857 1.00 0.00 N ATOM 741 CD2 HIS A 60 11.528 13.494 -5.103 1.00 0.00 C ATOM 742 CE1 HIS A 60 12.595 12.637 -3.424 1.00 0.00 C ATOM 743 NE2 HIS A 60 11.484 12.484 -4.150 1.00 0.00 N ATOM 0 H HIS A 60 14.769 16.086 -3.707 1.00 0.00 H new ATOM 0 HA HIS A 60 15.059 14.431 -6.163 1.00 0.00 H new ATOM 0 HB2 HIS A 60 12.870 16.343 -5.216 1.00 0.00 H new ATOM 0 HB3 HIS A 60 12.829 15.419 -6.705 1.00 0.00 H new ATOM 0 HD2 HIS A 60 10.779 13.668 -5.862 1.00 0.00 H new ATOM 0 HE1 HIS A 60 12.867 12.005 -2.592 1.00 0.00 H new ATOM 0 HE2 HIS A 60 10.759 11.777 -4.030 1.00 0.00 H new ATOM 751 N ALA A 61 15.521 16.334 -7.785 1.00 0.00 N ATOM 752 CA ALA A 61 16.063 17.371 -8.662 1.00 0.00 C ATOM 753 C ALA A 61 14.952 18.316 -9.080 1.00 0.00 C ATOM 754 O ALA A 61 13.777 18.075 -8.799 1.00 0.00 O ATOM 755 CB ALA A 61 16.705 16.714 -9.901 1.00 0.00 C ATOM 0 H ALA A 61 15.314 15.454 -8.257 1.00 0.00 H new ATOM 0 HA ALA A 61 16.826 17.940 -8.130 1.00 0.00 H new ATOM 0 HB1 ALA A 61 17.109 17.487 -10.555 1.00 0.00 H new ATOM 0 HB2 ALA A 61 17.509 16.050 -9.585 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.951 16.140 -10.440 1.00 0.00 H new ATOM 761 N ASP A 62 15.341 19.402 -9.738 1.00 0.00 N ATOM 762 CA ASP A 62 14.388 20.412 -10.203 1.00 0.00 C ATOM 763 C ASP A 62 13.651 19.954 -11.458 1.00 0.00 C ATOM 764 O ASP A 62 12.473 20.235 -11.624 1.00 0.00 O ATOM 765 CB ASP A 62 15.137 21.731 -10.518 1.00 0.00 C ATOM 766 CG ASP A 62 14.154 22.835 -10.971 1.00 0.00 C ATOM 767 OD1 ASP A 62 12.964 22.678 -10.736 1.00 0.00 O ATOM 768 OD2 ASP A 62 14.603 23.797 -11.561 1.00 0.00 O ATOM 0 H ASP A 62 16.314 19.609 -9.964 1.00 0.00 H new ATOM 0 HA ASP A 62 13.658 20.567 -9.409 1.00 0.00 H new ATOM 0 HB2 ASP A 62 15.681 22.064 -9.634 1.00 0.00 H new ATOM 0 HB3 ASP A 62 15.876 21.555 -11.299 1.00 0.00 H new ATOM 773 N ALA A 63 14.368 19.299 -12.364 1.00 0.00 N ATOM 774 CA ALA A 63 13.785 18.835 -13.630 1.00 0.00 C ATOM 775 C ALA A 63 12.968 17.562 -13.454 1.00 0.00 C ATOM 776 O ALA A 63 11.881 17.429 -14.006 1.00 0.00 O ATOM 777 CB ALA A 63 14.908 18.571 -14.654 1.00 0.00 C ATOM 0 H ALA A 63 15.356 19.074 -12.251 1.00 0.00 H new ATOM 0 HA ALA A 63 13.117 19.620 -13.986 1.00 0.00 H new ATOM 0 HB1 ALA A 63 14.472 18.227 -15.592 1.00 0.00 H new ATOM 0 HB2 ALA A 63 15.465 19.492 -14.829 1.00 0.00 H new ATOM 0 HB3 ALA A 63 15.582 17.808 -14.266 1.00 0.00 H new ATOM 783 N ASP A 64 13.519 16.611 -12.700 1.00 0.00 N ATOM 784 CA ASP A 64 12.866 15.312 -12.498 1.00 0.00 C ATOM 785 C ASP A 64 11.482 15.471 -11.904 1.00 0.00 C ATOM 786 O ASP A 64 10.545 14.760 -12.276 1.00 0.00 O ATOM 787 CB ASP A 64 13.729 14.433 -11.554 1.00 0.00 C ATOM 788 CG ASP A 64 15.106 14.176 -12.178 1.00 0.00 C ATOM 789 OD1 ASP A 64 15.664 15.117 -12.726 1.00 0.00 O ATOM 790 OD2 ASP A 64 15.579 13.058 -12.098 1.00 0.00 O ATOM 0 H ASP A 64 14.413 16.712 -12.219 1.00 0.00 H new ATOM 0 HA ASP A 64 12.768 14.834 -13.472 1.00 0.00 H new ATOM 0 HB2 ASP A 64 13.846 14.928 -10.590 1.00 0.00 H new ATOM 0 HB3 ASP A 64 13.225 13.485 -11.366 1.00 0.00 H new ATOM 795 N ILE A 65 11.360 16.406 -10.972 1.00 0.00 N ATOM 796 CA ILE A 65 10.086 16.647 -10.299 1.00 0.00 C ATOM 797 C ILE A 65 9.045 17.168 -11.251 1.00 0.00 C ATOM 798 O ILE A 65 7.846 17.080 -10.982 1.00 0.00 O ATOM 799 CB ILE A 65 10.291 17.666 -9.102 1.00 0.00 C ATOM 800 CG1 ILE A 65 9.290 17.328 -7.933 1.00 0.00 C ATOM 801 CG2 ILE A 65 10.109 19.167 -9.558 1.00 0.00 C ATOM 802 CD1 ILE A 65 9.821 16.156 -7.078 1.00 0.00 C ATOM 0 H ILE A 65 12.123 17.009 -10.664 1.00 0.00 H new ATOM 0 HA ILE A 65 9.729 15.694 -9.908 1.00 0.00 H new ATOM 0 HB ILE A 65 11.317 17.557 -8.750 1.00 0.00 H new ATOM 0 HG12 ILE A 65 9.147 18.207 -7.305 1.00 0.00 H new ATOM 0 HG13 ILE A 65 8.315 17.070 -8.346 1.00 0.00 H new ATOM 0 HG21 ILE A 65 10.259 19.827 -8.704 1.00 0.00 H new ATOM 0 HG22 ILE A 65 10.839 19.403 -10.332 1.00 0.00 H new ATOM 0 HG23 ILE A 65 9.103 19.308 -9.953 1.00 0.00 H new ATOM 0 HD11 ILE A 65 9.114 15.940 -6.277 1.00 0.00 H new ATOM 0 HD12 ILE A 65 9.940 15.273 -7.705 1.00 0.00 H new ATOM 0 HD13 ILE A 65 10.785 16.427 -6.647 1.00 0.00 H new ATOM 814 N GLU A 66 9.517 17.795 -12.327 1.00 0.00 N ATOM 815 CA GLU A 66 8.619 18.412 -13.287 1.00 0.00 C ATOM 816 C GLU A 66 7.650 17.388 -13.853 1.00 0.00 C ATOM 817 O GLU A 66 6.479 17.681 -14.048 1.00 0.00 O ATOM 818 CB GLU A 66 9.432 19.043 -14.459 1.00 0.00 C ATOM 819 CG GLU A 66 8.525 19.987 -15.322 1.00 0.00 C ATOM 820 CD GLU A 66 8.202 21.273 -14.548 1.00 0.00 C ATOM 821 OE1 GLU A 66 9.118 21.819 -13.955 1.00 0.00 O ATOM 822 OE2 GLU A 66 7.057 21.697 -14.574 1.00 0.00 O ATOM 0 H GLU A 66 10.508 17.886 -12.550 1.00 0.00 H new ATOM 0 HA GLU A 66 8.057 19.189 -12.769 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.275 19.607 -14.060 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.845 18.254 -15.087 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.031 20.234 -16.255 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.601 19.472 -15.586 1.00 0.00 H new ATOM 829 N ALA A 67 8.165 16.182 -14.099 1.00 0.00 N ATOM 830 CA ALA A 67 7.352 15.104 -14.656 1.00 0.00 C ATOM 831 C ALA A 67 6.261 14.684 -13.680 1.00 0.00 C ATOM 832 O ALA A 67 5.119 14.427 -14.082 1.00 0.00 O ATOM 833 CB ALA A 67 8.254 13.890 -14.973 1.00 0.00 C ATOM 0 H ALA A 67 9.137 15.930 -13.922 1.00 0.00 H new ATOM 0 HA ALA A 67 6.878 15.465 -15.569 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.648 13.085 -15.389 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.016 14.182 -15.696 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.736 13.546 -14.058 1.00 0.00 H new ATOM 839 N VAL A 68 6.623 14.617 -12.395 1.00 0.00 N ATOM 840 CA VAL A 68 5.677 14.206 -11.360 1.00 0.00 C ATOM 841 C VAL A 68 4.556 15.221 -11.230 1.00 0.00 C ATOM 842 O VAL A 68 3.383 14.853 -11.192 1.00 0.00 O ATOM 843 CB VAL A 68 6.413 14.047 -9.992 1.00 0.00 C ATOM 844 CG1 VAL A 68 5.434 13.497 -8.900 1.00 0.00 C ATOM 845 CG2 VAL A 68 7.620 13.082 -10.165 1.00 0.00 C ATOM 0 H VAL A 68 7.557 14.841 -12.051 1.00 0.00 H new ATOM 0 HA VAL A 68 5.247 13.246 -11.647 1.00 0.00 H new ATOM 0 HB VAL A 68 6.772 15.023 -9.666 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.965 13.393 -7.954 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.602 14.190 -8.775 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.052 12.524 -9.210 1.00 0.00 H new ATOM 0 HG21 VAL A 68 8.135 12.969 -9.211 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.262 12.109 -10.501 1.00 0.00 H new ATOM 0 HG23 VAL A 68 8.309 13.490 -10.904 1.00 0.00 H new ATOM 855 N PHE A 69 4.933 16.501 -11.135 1.00 0.00 N ATOM 856 CA PHE A 69 3.954 17.570 -10.982 1.00 0.00 C ATOM 857 C PHE A 69 3.178 17.754 -12.277 1.00 0.00 C ATOM 858 O PHE A 69 1.965 17.717 -12.265 1.00 0.00 O ATOM 859 CB PHE A 69 4.666 18.879 -10.600 1.00 0.00 C ATOM 860 CG PHE A 69 3.619 20.011 -10.478 1.00 0.00 C ATOM 861 CD1 PHE A 69 2.759 20.052 -9.359 1.00 0.00 C ATOM 862 CD2 PHE A 69 3.483 20.987 -11.492 1.00 0.00 C ATOM 863 CE1 PHE A 69 1.788 21.059 -9.252 1.00 0.00 C ATOM 864 CE2 PHE A 69 2.509 21.986 -11.382 1.00 0.00 C ATOM 865 CZ PHE A 69 1.663 22.027 -10.263 1.00 0.00 C ATOM 0 H PHE A 69 5.903 16.815 -11.162 1.00 0.00 H new ATOM 0 HA PHE A 69 3.255 17.303 -10.189 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.197 18.756 -9.656 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.410 19.135 -11.354 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.849 19.306 -8.583 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.133 20.962 -12.354 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.136 21.090 -8.392 1.00 0.00 H new ATOM 0 HE2 PHE A 69 2.408 22.728 -12.161 1.00 0.00 H new ATOM 0 HZ PHE A 69 0.916 22.802 -10.179 1.00 0.00 H new ATOM 875 N ALA A 70 3.892 18.025 -13.381 1.00 0.00 N ATOM 876 CA ALA A 70 3.262 18.296 -14.695 1.00 0.00 C ATOM 877 C ALA A 70 2.085 17.377 -14.953 1.00 0.00 C ATOM 878 O ALA A 70 1.066 17.782 -15.510 1.00 0.00 O ATOM 879 CB ALA A 70 4.298 18.091 -15.816 1.00 0.00 C ATOM 0 H ALA A 70 4.911 18.064 -13.395 1.00 0.00 H new ATOM 0 HA ALA A 70 2.904 19.325 -14.682 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.833 18.291 -16.782 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.135 18.774 -15.668 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.660 17.063 -15.793 1.00 0.00 H new ATOM 885 N LYS A 71 2.225 16.142 -14.504 1.00 0.00 N ATOM 886 CA LYS A 71 1.193 15.131 -14.635 1.00 0.00 C ATOM 887 C LYS A 71 -0.153 15.556 -14.015 1.00 0.00 C ATOM 888 O LYS A 71 -1.168 14.890 -14.190 1.00 0.00 O ATOM 889 CB LYS A 71 1.653 13.796 -13.989 1.00 0.00 C ATOM 890 CG LYS A 71 0.729 12.592 -14.474 1.00 0.00 C ATOM 891 CD LYS A 71 0.013 11.913 -13.279 1.00 0.00 C ATOM 892 CE LYS A 71 -0.872 10.756 -13.788 1.00 0.00 C ATOM 893 NZ LYS A 71 -1.867 11.302 -14.756 1.00 0.00 N ATOM 0 H LYS A 71 3.067 15.811 -14.034 1.00 0.00 H new ATOM 0 HA LYS A 71 1.034 14.998 -15.705 1.00 0.00 H new ATOM 0 HB2 LYS A 71 2.691 13.595 -14.255 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.613 13.878 -12.903 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.013 12.963 -15.182 1.00 0.00 H new ATOM 0 HG3 LYS A 71 1.335 11.856 -15.003 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.749 11.535 -12.570 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.597 12.643 -12.747 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -0.258 9.994 -14.268 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.382 10.275 -12.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.783 10.830 -14.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -1.977 12.324 -14.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.536 11.133 -15.727 1.00 0.00 H new ATOM 907 N TYR A 72 -0.132 16.673 -13.278 1.00 0.00 N ATOM 908 CA TYR A 72 -1.323 17.227 -12.607 1.00 0.00 C ATOM 909 C TYR A 72 -1.791 18.511 -13.274 1.00 0.00 C ATOM 910 O TYR A 72 -2.844 19.038 -12.912 1.00 0.00 O ATOM 911 CB TYR A 72 -0.978 17.479 -11.129 1.00 0.00 C ATOM 912 CG TYR A 72 -0.853 16.117 -10.413 1.00 0.00 C ATOM 913 CD1 TYR A 72 -2.019 15.460 -9.988 1.00 0.00 C ATOM 914 CD2 TYR A 72 0.398 15.515 -10.186 1.00 0.00 C ATOM 915 CE1 TYR A 72 -1.935 14.228 -9.336 1.00 0.00 C ATOM 916 CE2 TYR A 72 0.476 14.278 -9.534 1.00 0.00 C ATOM 917 CZ TYR A 72 -0.690 13.640 -9.109 1.00 0.00 C ATOM 918 OH TYR A 72 -0.614 12.430 -8.459 1.00 0.00 O ATOM 0 H TYR A 72 0.713 17.223 -13.127 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.142 16.512 -12.683 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -0.045 18.036 -11.048 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -1.752 18.084 -10.658 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -2.985 15.909 -10.166 1.00 0.00 H new ATOM 0 HD2 TYR A 72 1.301 16.008 -10.515 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.835 13.730 -9.007 1.00 0.00 H new ATOM 0 HE2 TYR A 72 1.438 13.818 -9.360 1.00 0.00 H new ATOM 0 HH TYR A 72 0.324 12.158 -8.382 1.00 0.00 H new ATOM 928 N ASP A 73 -1.030 19.005 -14.250 1.00 0.00 N ATOM 929 CA ASP A 73 -1.412 20.231 -14.962 1.00 0.00 C ATOM 930 C ASP A 73 -2.488 19.863 -15.974 1.00 0.00 C ATOM 931 O ASP A 73 -2.254 19.040 -16.864 1.00 0.00 O ATOM 932 CB ASP A 73 -0.187 20.823 -15.669 1.00 0.00 C ATOM 933 CG ASP A 73 0.858 21.260 -14.638 1.00 0.00 C ATOM 934 OD1 ASP A 73 1.006 20.572 -13.641 1.00 0.00 O ATOM 935 OD2 ASP A 73 1.484 22.288 -14.854 1.00 0.00 O ATOM 0 H ASP A 73 -0.156 18.584 -14.565 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.794 20.979 -14.267 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.245 20.084 -16.345 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.486 21.676 -16.278 1.00 0.00 H new ATOM 940 N VAL A 74 -3.673 20.456 -15.832 1.00 0.00 N ATOM 941 CA VAL A 74 -4.788 20.167 -16.731 1.00 0.00 C ATOM 942 C VAL A 74 -4.660 20.942 -18.039 1.00 0.00 C ATOM 943 O VAL A 74 -4.625 20.345 -19.113 1.00 0.00 O ATOM 944 CB VAL A 74 -6.133 20.538 -16.021 1.00 0.00 C ATOM 945 CG1 VAL A 74 -7.358 20.136 -16.911 1.00 0.00 C ATOM 946 CG2 VAL A 74 -6.217 19.802 -14.648 1.00 0.00 C ATOM 0 H VAL A 74 -3.885 21.138 -15.104 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.774 19.104 -16.970 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.159 21.616 -15.863 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.283 20.402 -16.399 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.305 20.664 -17.863 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.340 19.061 -17.091 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.153 20.060 -14.153 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.177 18.725 -14.810 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.379 20.106 -14.020 1.00 0.00 H new ATOM 956 N ASP A 75 -4.610 22.281 -17.934 1.00 0.00 N ATOM 957 CA ASP A 75 -4.506 23.174 -19.113 1.00 0.00 C ATOM 958 C ASP A 75 -3.187 23.942 -19.097 1.00 0.00 C ATOM 959 O ASP A 75 -3.011 24.892 -19.860 1.00 0.00 O ATOM 960 CB ASP A 75 -5.706 24.149 -19.094 1.00 0.00 C ATOM 961 CG ASP A 75 -7.029 23.369 -19.122 1.00 0.00 C ATOM 962 OD1 ASP A 75 -7.085 22.354 -19.799 1.00 0.00 O ATOM 963 OD2 ASP A 75 -7.963 23.797 -18.461 1.00 0.00 O ATOM 0 H ASP A 75 -4.640 22.776 -17.042 1.00 0.00 H new ATOM 0 HA ASP A 75 -4.526 22.580 -20.027 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.663 24.772 -18.201 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.653 24.818 -19.953 1.00 0.00 H new ATOM 968 N GLY A 76 -2.275 23.532 -18.216 1.00 0.00 N ATOM 969 CA GLY A 76 -0.966 24.204 -18.099 1.00 0.00 C ATOM 970 C GLY A 76 -1.139 25.600 -17.535 1.00 0.00 C ATOM 971 O GLY A 76 -0.261 26.453 -17.691 1.00 0.00 O ATOM 0 H GLY A 76 -2.408 22.748 -17.577 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.308 23.623 -17.453 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -0.488 24.256 -19.077 1.00 0.00 H new ATOM 975 N ASP A 77 -2.286 25.844 -16.881 1.00 0.00 N ATOM 976 CA ASP A 77 -2.574 27.158 -16.296 1.00 0.00 C ATOM 977 C ASP A 77 -1.689 27.394 -15.105 1.00 0.00 C ATOM 978 O ASP A 77 -1.543 28.534 -14.683 1.00 0.00 O ATOM 979 CB ASP A 77 -4.055 27.225 -15.845 1.00 0.00 C ATOM 980 CG ASP A 77 -5.004 27.143 -17.043 1.00 0.00 C ATOM 981 OD1 ASP A 77 -4.559 27.376 -18.159 1.00 0.00 O ATOM 982 OD2 ASP A 77 -6.159 26.837 -16.825 1.00 0.00 O ATOM 0 H ASP A 77 -3.023 25.152 -16.746 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.387 27.923 -17.049 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.265 26.408 -15.155 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -4.231 28.154 -15.302 1.00 0.00 H new ATOM 987 N ARG A 78 -1.024 26.344 -14.612 1.00 0.00 N ATOM 988 CA ARG A 78 -0.106 26.466 -13.491 1.00 0.00 C ATOM 989 C ARG A 78 -0.815 26.903 -12.217 1.00 0.00 C ATOM 990 O ARG A 78 -0.218 27.559 -11.359 1.00 0.00 O ATOM 991 CB ARG A 78 1.046 27.457 -13.840 1.00 0.00 C ATOM 992 CG ARG A 78 2.331 27.116 -13.036 1.00 0.00 C ATOM 993 CD ARG A 78 3.423 28.140 -13.341 1.00 0.00 C ATOM 994 NE ARG A 78 3.733 28.101 -14.777 1.00 0.00 N ATOM 995 CZ ARG A 78 4.627 28.932 -15.321 1.00 0.00 C ATOM 996 NH1 ARG A 78 5.237 29.807 -14.569 1.00 0.00 N ATOM 997 NH2 ARG A 78 4.883 28.871 -16.596 1.00 0.00 N ATOM 0 H ARG A 78 -1.110 25.397 -14.980 1.00 0.00 H new ATOM 0 HA ARG A 78 0.316 25.478 -13.305 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.258 27.413 -14.908 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.733 28.477 -13.619 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.112 27.112 -11.968 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.677 26.115 -13.294 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.092 29.138 -13.055 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.317 27.921 -12.757 1.00 0.00 H new ATOM 0 HE ARG A 78 3.255 27.424 -15.372 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.030 29.854 -13.571 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.920 30.444 -14.979 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.401 28.188 -17.181 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.566 29.506 -17.010 1.00 0.00 H new ATOM 1011 N VAL A 79 -2.094 26.551 -12.097 1.00 0.00 N ATOM 1012 CA VAL A 79 -2.881 26.911 -10.908 1.00 0.00 C ATOM 1013 C VAL A 79 -3.850 25.785 -10.577 1.00 0.00 C ATOM 1014 O VAL A 79 -4.725 25.469 -11.380 1.00 0.00 O ATOM 1015 CB VAL A 79 -3.685 28.216 -11.177 1.00 0.00 C ATOM 1016 CG1 VAL A 79 -4.464 28.665 -9.896 1.00 0.00 C ATOM 1017 CG2 VAL A 79 -2.725 29.359 -11.626 1.00 0.00 C ATOM 0 H VAL A 79 -2.609 26.021 -12.800 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.203 27.071 -10.070 1.00 0.00 H new ATOM 0 HB VAL A 79 -4.402 28.011 -11.972 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.018 29.579 -10.109 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.159 27.880 -9.599 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.758 28.849 -9.086 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.301 30.266 -11.811 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.992 29.548 -10.842 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.210 29.064 -12.540 1.00 0.00 H new ATOM 1027 N LEU A 80 -3.691 25.208 -9.382 1.00 0.00 N ATOM 1028 CA LEU A 80 -4.544 24.122 -8.899 1.00 0.00 C ATOM 1029 C LEU A 80 -4.871 24.382 -7.440 1.00 0.00 C ATOM 1030 O LEU A 80 -4.011 24.243 -6.558 1.00 0.00 O ATOM 1031 CB LEU A 80 -3.794 22.780 -9.051 1.00 0.00 C ATOM 1032 CG LEU A 80 -3.375 22.532 -10.551 1.00 0.00 C ATOM 1033 CD1 LEU A 80 -2.371 21.360 -10.636 1.00 0.00 C ATOM 1034 CD2 LEU A 80 -4.625 22.226 -11.439 1.00 0.00 C ATOM 0 H LEU A 80 -2.964 25.483 -8.721 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.468 24.073 -9.476 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.907 22.782 -8.418 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.429 21.964 -8.708 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.902 23.440 -10.925 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.089 21.198 -11.676 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.482 21.599 -10.052 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.833 20.456 -10.240 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.308 22.059 -12.468 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.128 21.334 -11.065 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.312 23.071 -11.404 1.00 0.00 H new ATOM 1046 N ASP A 81 -6.128 24.750 -7.189 1.00 0.00 N ATOM 1047 CA ASP A 81 -6.612 25.022 -5.846 1.00 0.00 C ATOM 1048 C ASP A 81 -7.135 23.735 -5.228 1.00 0.00 C ATOM 1049 O ASP A 81 -6.943 22.634 -5.765 1.00 0.00 O ATOM 1050 CB ASP A 81 -7.731 26.098 -5.914 1.00 0.00 C ATOM 1051 CG ASP A 81 -8.932 25.605 -6.723 1.00 0.00 C ATOM 1052 OD1 ASP A 81 -8.714 24.994 -7.757 1.00 0.00 O ATOM 1053 OD2 ASP A 81 -10.049 25.854 -6.299 1.00 0.00 O ATOM 0 H ASP A 81 -6.835 24.866 -7.915 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.801 25.400 -5.223 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.052 26.356 -4.905 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -7.336 27.008 -6.365 1.00 0.00 H new ATOM 1058 N ALA A 82 -7.830 23.887 -4.107 1.00 0.00 N ATOM 1059 CA ALA A 82 -8.436 22.777 -3.382 1.00 0.00 C ATOM 1060 C ALA A 82 -9.368 21.970 -4.278 1.00 0.00 C ATOM 1061 O ALA A 82 -9.781 20.882 -3.926 1.00 0.00 O ATOM 1062 CB ALA A 82 -9.227 23.291 -2.156 1.00 0.00 C ATOM 0 H ALA A 82 -7.990 24.795 -3.671 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.625 22.130 -3.046 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -9.671 22.446 -1.629 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -8.553 23.823 -1.485 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -10.015 23.966 -2.489 1.00 0.00 H new ATOM 1068 N GLU A 83 -9.727 22.547 -5.426 1.00 0.00 N ATOM 1069 CA GLU A 83 -10.651 21.887 -6.352 1.00 0.00 C ATOM 1070 C GLU A 83 -10.088 20.561 -6.885 1.00 0.00 C ATOM 1071 O GLU A 83 -10.693 19.502 -6.725 1.00 0.00 O ATOM 1072 CB GLU A 83 -10.975 22.840 -7.540 1.00 0.00 C ATOM 1073 CG GLU A 83 -12.198 22.312 -8.361 1.00 0.00 C ATOM 1074 CD GLU A 83 -13.483 22.340 -7.508 1.00 0.00 C ATOM 1075 OE1 GLU A 83 -13.578 23.193 -6.634 1.00 0.00 O ATOM 1076 OE2 GLU A 83 -14.326 21.487 -7.713 1.00 0.00 O ATOM 0 H GLU A 83 -9.396 23.461 -5.736 1.00 0.00 H new ATOM 0 HA GLU A 83 -11.562 21.657 -5.800 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.190 23.839 -7.162 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -10.105 22.926 -8.191 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -12.335 22.924 -9.253 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.003 21.294 -8.699 1.00 0.00 H new ATOM 1083 N GLU A 84 -8.939 20.647 -7.538 1.00 0.00 N ATOM 1084 CA GLU A 84 -8.264 19.486 -8.139 1.00 0.00 C ATOM 1085 C GLU A 84 -7.439 18.761 -7.100 1.00 0.00 C ATOM 1086 O GLU A 84 -7.111 17.589 -7.264 1.00 0.00 O ATOM 1087 CB GLU A 84 -7.355 19.946 -9.315 1.00 0.00 C ATOM 1088 CG GLU A 84 -8.207 20.644 -10.416 1.00 0.00 C ATOM 1089 CD GLU A 84 -9.182 19.648 -11.067 1.00 0.00 C ATOM 1090 OE1 GLU A 84 -8.710 18.625 -11.536 1.00 0.00 O ATOM 1091 OE2 GLU A 84 -10.372 19.912 -11.060 1.00 0.00 O ATOM 0 H GLU A 84 -8.438 21.526 -7.672 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.022 18.803 -8.523 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.592 20.632 -8.947 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.834 19.087 -9.739 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.764 21.473 -9.980 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.550 21.067 -11.177 1.00 0.00 H new ATOM 1098 N GLN A 85 -7.106 19.472 -6.020 1.00 0.00 N ATOM 1099 CA GLN A 85 -6.294 18.888 -4.954 1.00 0.00 C ATOM 1100 C GLN A 85 -6.936 17.621 -4.384 1.00 0.00 C ATOM 1101 O GLN A 85 -6.245 16.684 -4.008 1.00 0.00 O ATOM 1102 CB GLN A 85 -6.072 19.918 -3.826 1.00 0.00 C ATOM 1103 CG GLN A 85 -4.857 19.515 -2.950 1.00 0.00 C ATOM 1104 CD GLN A 85 -4.668 20.507 -1.811 1.00 0.00 C ATOM 1105 OE1 GLN A 85 -5.061 20.237 -0.678 1.00 0.00 O ATOM 1106 NE2 GLN A 85 -4.101 21.652 -2.060 1.00 0.00 N ATOM 0 H GLN A 85 -7.383 20.441 -5.863 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.332 18.612 -5.387 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -5.906 20.906 -4.256 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -6.967 19.986 -3.207 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -5.008 18.514 -2.547 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -3.956 19.479 -3.562 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -3.778 21.867 -3.003 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -3.980 22.334 -1.312 1.00 0.00 H new ATOM 1115 N MET A 86 -8.272 17.610 -4.303 1.00 0.00 N ATOM 1116 CA MET A 86 -8.994 16.455 -3.758 1.00 0.00 C ATOM 1117 C MET A 86 -8.658 15.218 -4.559 1.00 0.00 C ATOM 1118 O MET A 86 -8.408 14.150 -3.997 1.00 0.00 O ATOM 1119 CB MET A 86 -10.513 16.729 -3.827 1.00 0.00 C ATOM 1120 CG MET A 86 -10.874 17.882 -2.876 1.00 0.00 C ATOM 1121 SD MET A 86 -12.633 18.297 -3.052 1.00 0.00 S ATOM 1122 CE MET A 86 -13.305 17.186 -1.791 1.00 0.00 C ATOM 0 H MET A 86 -8.870 18.380 -4.605 1.00 0.00 H new ATOM 0 HA MET A 86 -8.699 16.295 -2.721 1.00 0.00 H new ATOM 0 HB2 MET A 86 -10.801 16.982 -4.847 1.00 0.00 H new ATOM 0 HB3 MET A 86 -11.067 15.831 -3.553 1.00 0.00 H new ATOM 0 HG2 MET A 86 -10.660 17.597 -1.846 1.00 0.00 H new ATOM 0 HG3 MET A 86 -10.261 18.755 -3.099 1.00 0.00 H new ATOM 0 HE1 MET A 86 -14.388 17.297 -1.748 1.00 0.00 H new ATOM 0 HE2 MET A 86 -13.056 16.155 -2.044 1.00 0.00 H new ATOM 0 HE3 MET A 86 -12.876 17.435 -0.820 1.00 0.00 H new ATOM 1132 N LYS A 87 -8.674 15.366 -5.879 1.00 0.00 N ATOM 1133 CA LYS A 87 -8.391 14.246 -6.754 1.00 0.00 C ATOM 1134 C LYS A 87 -7.005 13.660 -6.455 1.00 0.00 C ATOM 1135 O LYS A 87 -6.822 12.443 -6.468 1.00 0.00 O ATOM 1136 CB LYS A 87 -8.434 14.715 -8.216 1.00 0.00 C ATOM 1137 CG LYS A 87 -8.283 13.476 -9.220 1.00 0.00 C ATOM 1138 CD LYS A 87 -7.152 13.724 -10.263 1.00 0.00 C ATOM 1139 CE LYS A 87 -7.580 14.815 -11.266 1.00 0.00 C ATOM 1140 NZ LYS A 87 -6.479 15.038 -12.220 1.00 0.00 N ATOM 0 H LYS A 87 -8.878 16.243 -6.358 1.00 0.00 H new ATOM 0 HA LYS A 87 -9.143 13.476 -6.585 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.374 15.231 -8.409 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -7.634 15.433 -8.395 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -8.065 12.571 -8.653 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.227 13.308 -9.738 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -6.238 14.027 -9.753 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -6.929 12.799 -10.794 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -8.482 14.509 -11.795 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -7.817 15.740 -10.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.755 15.772 -12.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -5.630 15.346 -11.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -6.274 14.153 -12.727 1.00 0.00 H new ATOM 1154 N MET A 88 -6.042 14.547 -6.195 1.00 0.00 N ATOM 1155 CA MET A 88 -4.663 14.125 -5.909 1.00 0.00 C ATOM 1156 C MET A 88 -4.627 13.210 -4.690 1.00 0.00 C ATOM 1157 O MET A 88 -4.240 12.051 -4.782 1.00 0.00 O ATOM 1158 CB MET A 88 -3.772 15.366 -5.640 1.00 0.00 C ATOM 1159 CG MET A 88 -3.857 16.340 -6.828 1.00 0.00 C ATOM 1160 SD MET A 88 -2.802 17.770 -6.505 1.00 0.00 S ATOM 1161 CE MET A 88 -3.418 18.811 -7.851 1.00 0.00 C ATOM 0 H MET A 88 -6.187 15.556 -6.176 1.00 0.00 H new ATOM 0 HA MET A 88 -4.285 13.583 -6.776 1.00 0.00 H new ATOM 0 HB2 MET A 88 -4.095 15.865 -4.726 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.738 15.056 -5.486 1.00 0.00 H new ATOM 0 HG2 MET A 88 -3.543 15.841 -7.745 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.888 16.661 -6.977 1.00 0.00 H new ATOM 0 HE1 MET A 88 -2.893 19.766 -7.841 1.00 0.00 H new ATOM 0 HE2 MET A 88 -3.246 18.312 -8.805 1.00 0.00 H new ATOM 0 HE3 MET A 88 -4.486 18.982 -7.719 1.00 0.00 H new ATOM 1171 N ALA A 89 -5.065 13.745 -3.545 1.00 0.00 N ATOM 1172 CA ALA A 89 -5.086 12.972 -2.302 1.00 0.00 C ATOM 1173 C ALA A 89 -5.886 11.683 -2.473 1.00 0.00 C ATOM 1174 O ALA A 89 -5.422 10.611 -2.123 1.00 0.00 O ATOM 1175 CB ALA A 89 -5.710 13.816 -1.170 1.00 0.00 C ATOM 0 H ALA A 89 -5.407 14.702 -3.455 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.059 12.713 -2.046 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.723 13.235 -0.248 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.119 14.720 -1.022 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -6.730 14.090 -1.440 1.00 0.00 H new ATOM 1181 N HIS A 90 -7.094 11.803 -3.027 1.00 0.00 N ATOM 1182 CA HIS A 90 -7.961 10.635 -3.223 1.00 0.00 C ATOM 1183 C HIS A 90 -7.237 9.534 -4.007 1.00 0.00 C ATOM 1184 O HIS A 90 -7.269 8.364 -3.621 1.00 0.00 O ATOM 1185 CB HIS A 90 -9.247 11.064 -3.971 1.00 0.00 C ATOM 1186 CG HIS A 90 -10.216 9.904 -4.049 1.00 0.00 C ATOM 1187 ND1 HIS A 90 -10.316 9.098 -5.170 1.00 0.00 N ATOM 1188 CD2 HIS A 90 -11.087 9.387 -3.131 1.00 0.00 C ATOM 1189 CE1 HIS A 90 -11.223 8.144 -4.898 1.00 0.00 C ATOM 1190 NE2 HIS A 90 -11.724 8.275 -3.667 1.00 0.00 N ATOM 0 H HIS A 90 -7.493 12.686 -3.346 1.00 0.00 H new ATOM 0 HA HIS A 90 -8.225 10.232 -2.245 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -9.714 11.903 -3.456 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -8.996 11.406 -4.975 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -11.254 9.783 -2.140 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -11.511 7.367 -5.590 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -12.424 7.685 -3.217 1.00 0.00 H new ATOM 1198 N ASP A 91 -6.616 9.921 -5.120 1.00 0.00 N ATOM 1199 CA ASP A 91 -5.912 8.966 -5.975 1.00 0.00 C ATOM 1200 C ASP A 91 -4.657 8.426 -5.288 1.00 0.00 C ATOM 1201 O ASP A 91 -4.356 7.237 -5.374 1.00 0.00 O ATOM 1202 CB ASP A 91 -5.522 9.652 -7.309 1.00 0.00 C ATOM 1203 CG ASP A 91 -4.866 8.641 -8.264 1.00 0.00 C ATOM 1204 OD1 ASP A 91 -5.598 7.881 -8.872 1.00 0.00 O ATOM 1205 OD2 ASP A 91 -3.647 8.622 -8.335 1.00 0.00 O ATOM 0 H ASP A 91 -6.586 10.886 -5.450 1.00 0.00 H new ATOM 0 HA ASP A 91 -6.580 8.127 -6.171 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -6.408 10.081 -7.777 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.835 10.475 -7.114 1.00 0.00 H new ATOM 1210 N LEU A 92 -3.927 9.319 -4.627 1.00 0.00 N ATOM 1211 CA LEU A 92 -2.685 8.950 -3.936 1.00 0.00 C ATOM 1212 C LEU A 92 -2.959 8.086 -2.731 1.00 0.00 C ATOM 1213 O LEU A 92 -2.175 7.194 -2.416 1.00 0.00 O ATOM 1214 CB LEU A 92 -1.936 10.236 -3.518 1.00 0.00 C ATOM 1215 CG LEU A 92 -1.382 11.007 -4.780 1.00 0.00 C ATOM 1216 CD1 LEU A 92 -0.998 12.459 -4.388 1.00 0.00 C ATOM 1217 CD2 LEU A 92 -0.131 10.275 -5.381 1.00 0.00 C ATOM 0 H LEU A 92 -4.170 10.307 -4.552 1.00 0.00 H new ATOM 0 HA LEU A 92 -2.066 8.368 -4.619 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.608 10.886 -2.957 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.111 9.980 -2.853 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.167 11.029 -5.536 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.617 12.984 -5.264 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.878 12.978 -4.008 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.229 12.436 -3.616 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.231 10.826 -6.249 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.657 10.224 -4.629 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.410 9.266 -5.683 1.00 0.00 H new ATOM 1229 N GLU A 93 -4.056 8.355 -2.046 1.00 0.00 N ATOM 1230 CA GLU A 93 -4.415 7.590 -0.851 1.00 0.00 C ATOM 1231 C GLU A 93 -4.821 6.172 -1.215 1.00 0.00 C ATOM 1232 O GLU A 93 -4.435 5.221 -0.531 1.00 0.00 O ATOM 1233 CB GLU A 93 -5.580 8.313 -0.124 1.00 0.00 C ATOM 1234 CG GLU A 93 -5.060 9.555 0.666 1.00 0.00 C ATOM 1235 CD GLU A 93 -6.223 10.362 1.258 1.00 0.00 C ATOM 1236 OE1 GLU A 93 -7.360 9.915 1.160 1.00 0.00 O ATOM 1237 OE2 GLU A 93 -5.955 11.417 1.798 1.00 0.00 O ATOM 0 H GLU A 93 -4.716 9.093 -2.290 1.00 0.00 H new ATOM 0 HA GLU A 93 -3.549 7.528 -0.192 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.328 8.627 -0.852 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -6.071 7.622 0.560 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -4.396 9.228 1.466 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -4.472 10.191 0.004 1.00 0.00 H new ATOM 1244 N GLY A 94 -5.606 6.031 -2.286 1.00 0.00 N ATOM 1245 CA GLY A 94 -6.069 4.714 -2.718 1.00 0.00 C ATOM 1246 C GLY A 94 -4.939 3.921 -3.334 1.00 0.00 C ATOM 1247 O GLY A 94 -4.759 2.739 -3.040 1.00 0.00 O ATOM 0 H GLY A 94 -5.931 6.806 -2.864 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -6.478 4.170 -1.866 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -6.876 4.827 -3.442 1.00 0.00 H new ATOM 1251 N GLN A 95 -4.177 4.582 -4.215 1.00 0.00 N ATOM 1252 CA GLN A 95 -3.063 3.924 -4.904 1.00 0.00 C ATOM 1253 C GLN A 95 -2.049 3.396 -3.901 1.00 0.00 C ATOM 1254 O GLN A 95 -1.506 2.304 -4.070 1.00 0.00 O ATOM 1255 CB GLN A 95 -2.369 4.916 -5.877 1.00 0.00 C ATOM 1256 CG GLN A 95 -1.309 4.181 -6.755 1.00 0.00 C ATOM 1257 CD GLN A 95 -0.646 5.149 -7.718 1.00 0.00 C ATOM 1258 OE1 GLN A 95 -1.050 5.254 -8.874 1.00 0.00 O ATOM 1259 NE2 GLN A 95 0.351 5.874 -7.299 1.00 0.00 N ATOM 0 H GLN A 95 -4.310 5.562 -4.465 1.00 0.00 H new ATOM 0 HA GLN A 95 -3.463 3.085 -5.474 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -3.115 5.386 -6.517 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -1.888 5.713 -5.309 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -0.555 3.722 -6.116 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -1.787 3.375 -7.313 1.00 0.00 H new ATOM 0 HE21 GLN A 95 0.681 5.781 -6.338 1.00 0.00 H new ATOM 0 HE22 GLN A 95 0.802 6.535 -7.932 1.00 0.00 H new ATOM 1268 N LYS A 96 -1.791 4.186 -2.859 1.00 0.00 N ATOM 1269 CA LYS A 96 -0.831 3.798 -1.837 1.00 0.00 C ATOM 1270 C LYS A 96 -1.342 2.586 -1.057 1.00 0.00 C ATOM 1271 O LYS A 96 -0.596 1.630 -0.810 1.00 0.00 O ATOM 1272 CB LYS A 96 -0.583 4.988 -0.883 1.00 0.00 C ATOM 1273 CG LYS A 96 0.576 4.664 0.101 1.00 0.00 C ATOM 1274 CD LYS A 96 0.875 5.877 1.013 1.00 0.00 C ATOM 1275 CE LYS A 96 2.026 5.526 1.980 1.00 0.00 C ATOM 1276 NZ LYS A 96 3.234 5.178 1.179 1.00 0.00 N ATOM 0 H LYS A 96 -2.233 5.092 -2.704 1.00 0.00 H new ATOM 0 HA LYS A 96 0.109 3.523 -2.316 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -0.339 5.880 -1.460 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.492 5.209 -0.324 1.00 0.00 H new ATOM 0 HG2 LYS A 96 0.311 3.801 0.711 1.00 0.00 H new ATOM 0 HG3 LYS A 96 1.471 4.395 -0.460 1.00 0.00 H new ATOM 0 HD2 LYS A 96 1.146 6.742 0.408 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -0.017 6.150 1.577 1.00 0.00 H new ATOM 0 HE2 LYS A 96 2.238 6.370 2.637 1.00 0.00 H new ATOM 0 HE3 LYS A 96 1.742 4.689 2.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 4.081 5.254 1.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 3.147 4.204 0.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 3.318 5.833 0.375 1.00 0.00 H new ATOM 1290 N SER A 97 -2.615 2.649 -0.654 1.00 0.00 N ATOM 1291 CA SER A 97 -3.230 1.568 0.114 1.00 0.00 C ATOM 1292 C SER A 97 -3.402 0.334 -0.756 1.00 0.00 C ATOM 1293 O SER A 97 -3.493 -0.777 -0.257 1.00 0.00 O ATOM 1294 CB SER A 97 -4.592 2.017 0.659 1.00 0.00 C ATOM 1295 OG SER A 97 -5.142 0.960 1.433 1.00 0.00 O ATOM 0 H SER A 97 -3.236 3.435 -0.847 1.00 0.00 H new ATOM 0 HA SER A 97 -2.577 1.320 0.950 1.00 0.00 H new ATOM 0 HB2 SER A 97 -4.478 2.913 1.269 1.00 0.00 H new ATOM 0 HB3 SER A 97 -5.262 2.273 -0.162 1.00 0.00 H new ATOM 0 HG SER A 97 -6.013 1.234 1.789 1.00 0.00 H new ATOM 1301 N ASP A 98 -3.465 0.542 -2.073 1.00 0.00 N ATOM 1302 CA ASP A 98 -3.624 -0.568 -3.022 1.00 0.00 C ATOM 1303 C ASP A 98 -2.264 -1.169 -3.343 1.00 0.00 C ATOM 1304 O ASP A 98 -2.166 -2.320 -3.761 1.00 0.00 O ATOM 1305 CB ASP A 98 -4.290 -0.065 -4.320 1.00 0.00 C ATOM 1306 CG ASP A 98 -4.538 -1.236 -5.286 1.00 0.00 C ATOM 1307 OD1 ASP A 98 -5.556 -1.889 -5.136 1.00 0.00 O ATOM 1308 OD2 ASP A 98 -3.690 -1.475 -6.129 1.00 0.00 O ATOM 0 H ASP A 98 -3.409 1.463 -2.507 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.258 -1.331 -2.571 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -5.234 0.426 -4.085 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -3.653 0.680 -4.798 1.00 0.00 H new ATOM 1313 N LEU A 99 -1.220 -0.360 -3.182 1.00 0.00 N ATOM 1314 CA LEU A 99 0.131 -0.801 -3.487 1.00 0.00 C ATOM 1315 C LEU A 99 0.615 -1.837 -2.485 1.00 0.00 C ATOM 1316 O LEU A 99 1.234 -2.833 -2.865 1.00 0.00 O ATOM 1317 CB LEU A 99 1.092 0.401 -3.488 1.00 0.00 C ATOM 1318 CG LEU A 99 2.581 -0.051 -3.872 1.00 0.00 C ATOM 1319 CD1 LEU A 99 3.187 0.895 -4.930 1.00 0.00 C ATOM 1320 CD2 LEU A 99 3.481 -0.097 -2.601 1.00 0.00 C ATOM 0 H LEU A 99 -1.287 0.600 -2.843 1.00 0.00 H new ATOM 0 HA LEU A 99 0.116 -1.260 -4.476 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.742 1.150 -4.198 1.00 0.00 H new ATOM 0 HB3 LEU A 99 1.093 0.870 -2.504 1.00 0.00 H new ATOM 0 HG LEU A 99 2.533 -1.052 -4.300 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.198 0.568 -5.174 1.00 0.00 H new ATOM 0 HD12 LEU A 99 2.572 0.876 -5.830 1.00 0.00 H new ATOM 0 HD13 LEU A 99 3.220 1.910 -4.534 1.00 0.00 H new ATOM 0 HD21 LEU A 99 4.489 -0.406 -2.880 1.00 0.00 H new ATOM 0 HD22 LEU A 99 3.518 0.892 -2.145 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.067 -0.810 -1.888 1.00 0.00 H new ATOM 1332 N ASN A 100 0.363 -1.577 -1.195 1.00 0.00 N ATOM 1333 CA ASN A 100 0.806 -2.487 -0.122 1.00 0.00 C ATOM 1334 C ASN A 100 0.454 -3.943 -0.466 1.00 0.00 C ATOM 1335 O ASN A 100 1.141 -4.871 -0.044 1.00 0.00 O ATOM 1336 CB ASN A 100 0.159 -2.064 1.217 1.00 0.00 C ATOM 1337 CG ASN A 100 -1.354 -1.957 1.061 1.00 0.00 C ATOM 1338 OD1 ASN A 100 -1.962 -2.697 0.293 1.00 0.00 O ATOM 1339 ND2 ASN A 100 -2.007 -1.061 1.740 1.00 0.00 N ATOM 0 H ASN A 100 -0.140 -0.753 -0.868 1.00 0.00 H new ATOM 0 HA ASN A 100 1.890 -2.422 -0.025 1.00 0.00 H new ATOM 0 HB2 ASN A 100 0.401 -2.791 1.992 1.00 0.00 H new ATOM 0 HB3 ASN A 100 0.567 -1.106 1.540 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -3.018 -0.976 1.633 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -1.509 -0.443 2.380 1.00 0.00 H new ATOM 1346 N ASN A 101 -0.619 -4.112 -1.255 1.00 0.00 N ATOM 1347 CA ASN A 101 -1.065 -5.439 -1.687 1.00 0.00 C ATOM 1348 C ASN A 101 -0.072 -6.009 -2.696 1.00 0.00 C ATOM 1349 O ASN A 101 0.342 -7.155 -2.612 1.00 0.00 O ATOM 1350 CB ASN A 101 -2.467 -5.340 -2.315 1.00 0.00 C ATOM 1351 CG ASN A 101 -3.441 -4.731 -1.308 1.00 0.00 C ATOM 1352 OD1 ASN A 101 -3.444 -5.116 -0.139 1.00 0.00 O ATOM 1353 ND2 ASN A 101 -4.264 -3.795 -1.689 1.00 0.00 N ATOM 0 H ASN A 101 -1.192 -3.344 -1.605 1.00 0.00 H new ATOM 0 HA ASN A 101 -1.114 -6.104 -0.824 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -2.430 -4.727 -3.216 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -2.812 -6.329 -2.616 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -4.911 -3.381 -1.018 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -4.261 -3.477 -2.658 1.00 0.00 H new ATOM 1360 N GLN A 102 0.301 -5.186 -3.681 1.00 0.00 N ATOM 1361 CA GLN A 102 1.242 -5.620 -4.728 1.00 0.00 C ATOM 1362 C GLN A 102 2.507 -6.207 -4.101 1.00 0.00 C ATOM 1363 O GLN A 102 3.016 -7.234 -4.546 1.00 0.00 O ATOM 1364 CB GLN A 102 1.615 -4.411 -5.632 1.00 0.00 C ATOM 1365 CG GLN A 102 0.359 -3.851 -6.355 1.00 0.00 C ATOM 1366 CD GLN A 102 -0.176 -4.881 -7.358 1.00 0.00 C ATOM 1367 OE1 GLN A 102 0.610 -5.509 -8.068 1.00 0.00 O ATOM 1368 NE2 GLN A 102 -1.453 -5.112 -7.437 1.00 0.00 N ATOM 0 H GLN A 102 -0.028 -4.225 -3.779 1.00 0.00 H new ATOM 0 HA GLN A 102 0.762 -6.390 -5.332 1.00 0.00 H new ATOM 0 HB2 GLN A 102 2.071 -3.627 -5.028 1.00 0.00 H new ATOM 0 HB3 GLN A 102 2.357 -4.718 -6.369 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -0.413 -3.609 -5.624 1.00 0.00 H new ATOM 0 HG3 GLN A 102 0.610 -2.925 -6.872 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -2.103 -4.591 -6.848 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -1.805 -5.814 -8.088 1.00 0.00 H new ATOM 1377 N LEU A 103 2.999 -5.538 -3.059 1.00 0.00 N ATOM 1378 CA LEU A 103 4.214 -5.983 -2.359 1.00 0.00 C ATOM 1379 C LEU A 103 3.885 -7.100 -1.392 1.00 0.00 C ATOM 1380 O LEU A 103 4.770 -7.563 -0.671 1.00 0.00 O ATOM 1381 CB LEU A 103 4.843 -4.781 -1.597 1.00 0.00 C ATOM 1382 CG LEU A 103 5.647 -3.855 -2.576 1.00 0.00 C ATOM 1383 CD1 LEU A 103 4.719 -3.296 -3.701 1.00 0.00 C ATOM 1384 CD2 LEU A 103 6.308 -2.699 -1.778 1.00 0.00 C ATOM 0 H LEU A 103 2.581 -4.689 -2.679 1.00 0.00 H new ATOM 0 HA LEU A 103 4.929 -6.360 -3.090 1.00 0.00 H new ATOM 0 HB2 LEU A 103 4.058 -4.205 -1.108 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.504 -5.149 -0.813 1.00 0.00 H new ATOM 0 HG LEU A 103 6.429 -4.444 -3.056 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.299 -2.657 -4.367 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.297 -4.125 -4.270 1.00 0.00 H new ATOM 0 HD13 LEU A 103 3.913 -2.716 -3.253 1.00 0.00 H new ATOM 0 HD21 LEU A 103 6.866 -2.058 -2.461 1.00 0.00 H new ATOM 0 HD22 LEU A 103 5.536 -2.113 -1.279 1.00 0.00 H new ATOM 0 HD23 LEU A 103 6.987 -3.113 -1.033 1.00 0.00 H new