USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 595 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 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -3.62 K(o=-3.6,f=-8.5!) USER MOD Single : A 25 LYS NZ :NH3+ 167:sc= 0.434 (180deg=0.0481!) USER MOD Single : A 27 SER OG : rot 180:sc=0.000335 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 130:sc= -2.27! USER MOD Single : A 40 SER OG : rot 41:sc= 0.0446 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0563 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl 180:sc=-0.000202 (180deg=-0.000202) USER MOD Single : A 50 MET CE :methyl 168:sc= -8.53! (180deg=-9.12!) USER MOD Single : A 55 THR OG1 : rot -9:sc= -3.41! USER MOD Single : A 62 SER OG : rot 180:sc= 0.0471 USER MOD Single : A 64 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.31) USER MOD Single : A 67 THR OG1 : rot 77:sc= 0.815 USER MOD Single : A 73 ASN : amide:sc= -2.49! C(o=-2.5!,f=-3.4!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 85 N ASP A 7 -1.299 -10.646 -0.067 1.00 16.66 N ATOM 86 CA ASP A 7 -1.951 -11.979 -0.162 1.00 16.66 C ATOM 87 C ASP A 7 -2.950 -12.137 0.983 1.00 16.66 C ATOM 88 O ASP A 7 -4.056 -12.604 0.799 1.00 16.66 O ATOM 89 CB ASP A 7 -0.885 -13.073 -0.067 1.00 16.66 C ATOM 90 CG ASP A 7 -0.015 -13.049 -1.326 1.00 16.66 C ATOM 91 OD1 ASP A 7 -0.447 -12.471 -2.309 1.00 50.00 O ATOM 92 OD2 ASP A 7 1.066 -13.611 -1.285 1.00 50.00 O ATOM 0 HA ASP A 7 -2.474 -12.064 -1.114 1.00 16.66 H new ATOM 0 HB2 ASP A 7 -0.267 -12.918 0.818 1.00 16.66 H new ATOM 0 HB3 ASP A 7 -1.359 -14.049 0.042 1.00 16.66 H new ATOM 97 N LYS A 8 -2.567 -11.748 2.165 1.00 16.66 N ATOM 98 CA LYS A 8 -3.490 -11.869 3.327 1.00 16.66 C ATOM 99 C LYS A 8 -4.839 -11.249 2.970 1.00 16.66 C ATOM 100 O LYS A 8 -5.881 -11.736 3.358 1.00 16.66 O ATOM 101 CB LYS A 8 -2.895 -11.136 4.528 1.00 16.66 C ATOM 102 CG LYS A 8 -2.014 -12.100 5.323 1.00 16.66 C ATOM 103 CD LYS A 8 -1.976 -11.665 6.789 1.00 16.66 C ATOM 104 CE LYS A 8 -0.969 -12.527 7.551 1.00 50.00 C ATOM 105 NZ LYS A 8 0.059 -11.651 8.180 1.00 50.00 N ATOM 0 H LYS A 8 -1.652 -11.350 2.378 1.00 16.66 H new ATOM 0 HA LYS A 8 -3.627 -12.921 3.575 1.00 16.66 H new ATOM 0 HB2 LYS A 8 -2.308 -10.281 4.192 1.00 16.66 H new ATOM 0 HB3 LYS A 8 -3.692 -10.746 5.162 1.00 16.66 H new ATOM 0 HG2 LYS A 8 -2.403 -13.115 5.244 1.00 16.66 H new ATOM 0 HG3 LYS A 8 -1.005 -12.112 4.910 1.00 16.66 H new ATOM 0 HD2 LYS A 8 -1.698 -10.613 6.860 1.00 16.66 H new ATOM 0 HD3 LYS A 8 -2.966 -11.764 7.234 1.00 16.66 H new ATOM 0 HE2 LYS A 8 -1.480 -13.112 8.315 1.00 50.00 H new ATOM 0 HE3 LYS A 8 -0.493 -13.235 6.872 1.00 50.00 H new ATOM 0 HZ1 LYS A 8 0.744 -12.237 8.698 1.00 50.00 H new ATOM 0 HZ2 LYS A 8 0.554 -11.111 7.442 1.00 50.00 H new ATOM 0 HZ3 LYS A 8 -0.403 -10.993 8.840 1.00 50.00 H new ATOM 119 N ALA A 9 -4.825 -10.179 2.227 1.00 16.66 N ATOM 120 CA ALA A 9 -6.108 -9.531 1.839 1.00 16.66 C ATOM 121 C ALA A 9 -6.954 -10.539 1.070 1.00 16.66 C ATOM 122 O ALA A 9 -8.130 -10.703 1.322 1.00 16.66 O ATOM 123 CB ALA A 9 -5.825 -8.314 0.956 1.00 16.66 C ATOM 0 H ALA A 9 -3.983 -9.726 1.872 1.00 16.66 H new ATOM 0 HA ALA A 9 -6.642 -9.204 2.731 1.00 16.66 H new ATOM 0 HB1 ALA A 9 -6.766 -7.842 0.674 1.00 16.66 H new ATOM 0 HB2 ALA A 9 -5.212 -7.600 1.506 1.00 16.66 H new ATOM 0 HB3 ALA A 9 -5.295 -8.631 0.058 1.00 16.66 H new ATOM 129 N GLU A 10 -6.357 -11.223 0.139 1.00 16.66 N ATOM 130 CA GLU A 10 -7.120 -12.233 -0.645 1.00 16.66 C ATOM 131 C GLU A 10 -7.533 -13.374 0.284 1.00 16.66 C ATOM 132 O GLU A 10 -8.655 -13.840 0.254 1.00 16.66 O ATOM 133 CB GLU A 10 -6.242 -12.780 -1.772 1.00 16.66 C ATOM 134 CG GLU A 10 -5.736 -11.619 -2.633 1.00 16.66 C ATOM 135 CD GLU A 10 -6.925 -10.909 -3.281 1.00 16.66 C ATOM 136 OE1 GLU A 10 -8.001 -11.482 -3.288 1.00 16.66 O ATOM 137 OE2 GLU A 10 -6.739 -9.801 -3.760 1.00 16.66 O ATOM 0 H GLU A 10 -5.374 -11.128 -0.115 1.00 16.66 H new ATOM 0 HA GLU A 10 -8.007 -11.770 -1.077 1.00 16.66 H new ATOM 0 HB2 GLU A 10 -5.400 -13.332 -1.356 1.00 16.66 H new ATOM 0 HB3 GLU A 10 -6.811 -13.480 -2.384 1.00 16.66 H new ATOM 0 HG2 GLU A 10 -5.170 -10.918 -2.020 1.00 16.66 H new ATOM 0 HG3 GLU A 10 -5.058 -11.991 -3.401 1.00 16.66 H new ATOM 144 N ARG A 11 -6.634 -13.821 1.113 1.00 16.66 N ATOM 145 CA ARG A 11 -6.965 -14.927 2.051 1.00 16.66 C ATOM 146 C ARG A 11 -8.034 -14.454 3.038 1.00 16.66 C ATOM 147 O ARG A 11 -8.940 -15.184 3.388 1.00 16.66 O ATOM 148 CB ARG A 11 -5.709 -15.329 2.824 1.00 16.66 C ATOM 149 CG ARG A 11 -4.741 -16.052 1.883 1.00 16.66 C ATOM 150 CD ARG A 11 -3.701 -16.812 2.705 1.00 50.00 C ATOM 151 NE ARG A 11 -2.446 -16.945 1.913 1.00 50.00 N ATOM 152 CZ ARG A 11 -2.131 -18.093 1.376 1.00 50.00 C ATOM 153 NH1 ARG A 11 -1.297 -18.892 1.984 1.00 50.00 N ATOM 154 NH2 ARG A 11 -2.650 -18.441 0.231 1.00 50.00 N ATOM 0 H ARG A 11 -5.680 -13.466 1.182 1.00 16.66 H new ATOM 0 HA ARG A 11 -7.339 -15.782 1.488 1.00 16.66 H new ATOM 0 HB2 ARG A 11 -5.231 -14.445 3.247 1.00 16.66 H new ATOM 0 HB3 ARG A 11 -5.975 -15.978 3.659 1.00 16.66 H new ATOM 0 HG2 ARG A 11 -5.289 -16.743 1.242 1.00 16.66 H new ATOM 0 HG3 ARG A 11 -4.248 -15.333 1.229 1.00 16.66 H new ATOM 0 HD2 ARG A 11 -3.502 -16.284 3.637 1.00 50.00 H new ATOM 0 HD3 ARG A 11 -4.082 -17.798 2.972 1.00 50.00 H new ATOM 0 HE ARG A 11 -1.833 -16.139 1.790 1.00 50.00 H new ATOM 0 HH11 ARG A 11 -0.891 -18.620 2.879 1.00 50.00 H new ATOM 0 HH12 ARG A 11 -1.051 -19.788 1.564 1.00 50.00 H new ATOM 0 HH21 ARG A 11 -3.301 -17.817 -0.244 1.00 50.00 H new ATOM 0 HH22 ARG A 11 -2.404 -19.338 -0.189 1.00 50.00 H new ATOM 168 N GLU A 12 -7.931 -13.236 3.487 1.00 16.66 N ATOM 169 CA GLU A 12 -8.936 -12.706 4.451 1.00 16.66 C ATOM 170 C GLU A 12 -10.297 -12.600 3.764 1.00 16.66 C ATOM 171 O GLU A 12 -11.318 -12.939 4.329 1.00 16.66 O ATOM 172 CB GLU A 12 -8.500 -11.321 4.936 1.00 16.66 C ATOM 173 CG GLU A 12 -7.781 -11.453 6.281 1.00 16.66 C ATOM 174 CD GLU A 12 -7.537 -10.062 6.869 1.00 16.66 C ATOM 175 OE1 GLU A 12 -8.168 -9.126 6.406 1.00 50.00 O ATOM 176 OE2 GLU A 12 -6.725 -9.957 7.773 1.00 50.00 O ATOM 0 H GLU A 12 -7.192 -12.582 3.228 1.00 16.66 H new ATOM 0 HA GLU A 12 -9.011 -13.382 5.303 1.00 16.66 H new ATOM 0 HB2 GLU A 12 -7.839 -10.859 4.203 1.00 16.66 H new ATOM 0 HB3 GLU A 12 -9.368 -10.670 5.038 1.00 16.66 H new ATOM 0 HG2 GLU A 12 -8.380 -12.050 6.969 1.00 16.66 H new ATOM 0 HG3 GLU A 12 -6.833 -11.975 6.149 1.00 16.66 H new ATOM 183 N ARG A 13 -10.319 -12.137 2.547 1.00 16.66 N ATOM 184 CA ARG A 13 -11.613 -12.016 1.822 1.00 16.66 C ATOM 185 C ARG A 13 -12.172 -13.412 1.555 1.00 16.66 C ATOM 186 O ARG A 13 -13.354 -13.657 1.690 1.00 16.66 O ATOM 187 CB ARG A 13 -11.388 -11.290 0.494 1.00 16.66 C ATOM 188 CG ARG A 13 -10.891 -9.869 0.770 1.00 16.66 C ATOM 189 CD ARG A 13 -10.433 -9.225 -0.539 1.00 16.66 C ATOM 190 NE ARG A 13 -11.593 -8.565 -1.202 1.00 50.00 N ATOM 191 CZ ARG A 13 -11.407 -7.845 -2.273 1.00 50.00 C ATOM 192 NH1 ARG A 13 -10.517 -6.890 -2.273 1.00 50.00 N ATOM 193 NH2 ARG A 13 -12.111 -8.078 -3.347 1.00 50.00 N ATOM 0 H ARG A 13 -9.497 -11.837 2.023 1.00 16.66 H new ATOM 0 HA ARG A 13 -12.321 -11.449 2.427 1.00 16.66 H new ATOM 0 HB2 ARG A 13 -10.660 -11.831 -0.110 1.00 16.66 H new ATOM 0 HB3 ARG A 13 -12.316 -11.258 -0.078 1.00 16.66 H new ATOM 0 HG2 ARG A 13 -11.686 -9.275 1.221 1.00 16.66 H new ATOM 0 HG3 ARG A 13 -10.067 -9.893 1.484 1.00 16.66 H new ATOM 0 HD2 ARG A 13 -9.649 -8.494 -0.342 1.00 16.66 H new ATOM 0 HD3 ARG A 13 -10.006 -9.981 -1.198 1.00 16.66 H new ATOM 0 HE ARG A 13 -12.532 -8.676 -0.818 1.00 50.00 H new ATOM 0 HH11 ARG A 13 -9.966 -6.706 -1.434 1.00 50.00 H new ATOM 0 HH12 ARG A 13 -10.373 -6.328 -3.112 1.00 50.00 H new ATOM 0 HH21 ARG A 13 -12.807 -8.824 -3.349 1.00 50.00 H new ATOM 0 HH22 ARG A 13 -11.965 -7.514 -4.185 1.00 50.00 H new ATOM 207 N ILE A 14 -11.327 -14.332 1.189 1.00 16.66 N ATOM 208 CA ILE A 14 -11.803 -15.717 0.922 1.00 16.66 C ATOM 209 C ILE A 14 -12.206 -16.369 2.244 1.00 16.66 C ATOM 210 O ILE A 14 -13.238 -17.002 2.348 1.00 16.66 O ATOM 211 CB ILE A 14 -10.679 -16.525 0.272 1.00 50.00 C ATOM 212 CG1 ILE A 14 -10.193 -15.798 -0.983 1.00 50.00 C ATOM 213 CG2 ILE A 14 -11.202 -17.911 -0.110 1.00 50.00 C ATOM 214 CD1 ILE A 14 -8.758 -16.225 -1.296 1.00 50.00 C ATOM 0 H ILE A 14 -10.326 -14.185 1.063 1.00 16.66 H new ATOM 0 HA ILE A 14 -12.661 -15.690 0.250 1.00 16.66 H new ATOM 0 HB ILE A 14 -9.852 -16.631 0.974 1.00 50.00 H new ATOM 0 HG12 ILE A 14 -10.845 -16.029 -1.826 1.00 50.00 H new ATOM 0 HG13 ILE A 14 -10.238 -14.719 -0.832 1.00 50.00 H new ATOM 0 HG21 ILE A 14 -10.401 -18.487 -0.573 1.00 50.00 H new ATOM 0 HG22 ILE A 14 -11.550 -18.428 0.784 1.00 50.00 H new ATOM 0 HG23 ILE A 14 -12.028 -17.807 -0.814 1.00 50.00 H new ATOM 0 HD11 ILE A 14 -8.411 -15.707 -2.190 1.00 50.00 H new ATOM 0 HD12 ILE A 14 -8.111 -15.971 -0.456 1.00 50.00 H new ATOM 0 HD13 ILE A 14 -8.727 -17.301 -1.465 1.00 50.00 H new ATOM 226 N PHE A 15 -11.402 -16.212 3.260 1.00 16.66 N ATOM 227 CA PHE A 15 -11.748 -16.816 4.573 1.00 16.66 C ATOM 228 C PHE A 15 -12.990 -16.122 5.129 1.00 16.66 C ATOM 229 O PHE A 15 -13.827 -16.735 5.762 1.00 16.66 O ATOM 230 CB PHE A 15 -10.585 -16.642 5.550 1.00 16.66 C ATOM 231 CG PHE A 15 -10.934 -17.324 6.851 1.00 16.66 C ATOM 232 CD1 PHE A 15 -11.666 -16.640 7.830 1.00 16.66 C ATOM 233 CD2 PHE A 15 -10.536 -18.647 7.075 1.00 16.66 C ATOM 234 CE1 PHE A 15 -11.999 -17.280 9.031 1.00 16.66 C ATOM 235 CE2 PHE A 15 -10.865 -19.287 8.277 1.00 16.66 C ATOM 236 CZ PHE A 15 -11.597 -18.604 9.255 1.00 16.66 C ATOM 0 H PHE A 15 -10.524 -15.693 3.236 1.00 16.66 H new ATOM 0 HA PHE A 15 -11.945 -17.880 4.443 1.00 16.66 H new ATOM 0 HB2 PHE A 15 -9.674 -17.071 5.132 1.00 16.66 H new ATOM 0 HB3 PHE A 15 -10.390 -15.583 5.720 1.00 16.66 H new ATOM 0 HD1 PHE A 15 -11.974 -15.619 7.659 1.00 16.66 H new ATOM 0 HD2 PHE A 15 -9.974 -19.176 6.319 1.00 16.66 H new ATOM 0 HE1 PHE A 15 -12.566 -16.753 9.784 1.00 16.66 H new ATOM 0 HE2 PHE A 15 -10.554 -20.307 8.449 1.00 16.66 H new ATOM 0 HZ PHE A 15 -11.852 -19.097 10.182 1.00 16.66 H new ATOM 246 N LYS A 16 -13.117 -14.847 4.891 1.00 16.66 N ATOM 247 CA LYS A 16 -14.308 -14.110 5.397 1.00 16.66 C ATOM 248 C LYS A 16 -15.566 -14.653 4.720 1.00 16.66 C ATOM 249 O LYS A 16 -16.635 -14.672 5.297 1.00 16.66 O ATOM 250 CB LYS A 16 -14.160 -12.620 5.083 1.00 50.00 C ATOM 251 CG LYS A 16 -13.325 -11.949 6.176 1.00 50.00 C ATOM 252 CD LYS A 16 -13.251 -10.445 5.910 1.00 50.00 C ATOM 253 CE LYS A 16 -12.213 -9.813 6.838 1.00 50.00 C ATOM 254 NZ LYS A 16 -12.906 -9.104 7.951 1.00 50.00 N ATOM 0 H LYS A 16 -12.447 -14.283 4.368 1.00 16.66 H new ATOM 0 HA LYS A 16 -14.388 -14.245 6.476 1.00 16.66 H new ATOM 0 HB2 LYS A 16 -13.682 -12.488 4.112 1.00 50.00 H new ATOM 0 HB3 LYS A 16 -15.142 -12.151 5.021 1.00 50.00 H new ATOM 0 HG2 LYS A 16 -13.770 -12.135 7.154 1.00 50.00 H new ATOM 0 HG3 LYS A 16 -12.322 -12.375 6.196 1.00 50.00 H new ATOM 0 HD2 LYS A 16 -12.983 -10.262 4.869 1.00 50.00 H new ATOM 0 HD3 LYS A 16 -14.227 -9.988 6.073 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -11.552 -10.582 7.238 1.00 50.00 H new ATOM 0 HE3 LYS A 16 -11.589 -9.114 6.281 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -12.200 -8.674 8.582 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 -13.519 -8.360 7.560 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 -13.483 -9.782 8.488 1.00 50.00 H new ATOM 268 N ARG A 17 -15.447 -15.105 3.501 1.00 16.66 N ATOM 269 CA ARG A 17 -16.635 -15.656 2.794 1.00 16.66 C ATOM 270 C ARG A 17 -16.992 -17.014 3.397 1.00 16.66 C ATOM 271 O ARG A 17 -18.147 -17.370 3.515 1.00 16.66 O ATOM 272 CB ARG A 17 -16.312 -15.828 1.309 1.00 16.66 C ATOM 273 CG ARG A 17 -16.199 -14.453 0.648 1.00 16.66 C ATOM 274 CD ARG A 17 -16.126 -14.623 -0.870 1.00 50.00 C ATOM 275 NE ARG A 17 -15.511 -13.409 -1.478 1.00 50.00 N ATOM 276 CZ ARG A 17 -14.938 -13.486 -2.648 1.00 50.00 C ATOM 277 NH1 ARG A 17 -15.409 -12.797 -3.651 1.00 50.00 N ATOM 278 NH2 ARG A 17 -13.894 -14.249 -2.814 1.00 50.00 N ATOM 0 H ARG A 17 -14.579 -15.116 2.966 1.00 16.66 H new ATOM 0 HA ARG A 17 -17.476 -14.972 2.904 1.00 16.66 H new ATOM 0 HB2 ARG A 17 -15.378 -16.378 1.190 1.00 16.66 H new ATOM 0 HB3 ARG A 17 -17.091 -16.414 0.822 1.00 16.66 H new ATOM 0 HG2 ARG A 17 -17.058 -13.837 0.915 1.00 16.66 H new ATOM 0 HG3 ARG A 17 -15.311 -13.935 1.010 1.00 16.66 H new ATOM 0 HD2 ARG A 17 -15.537 -15.506 -1.120 1.00 50.00 H new ATOM 0 HD3 ARG A 17 -17.125 -14.780 -1.277 1.00 50.00 H new ATOM 0 HE ARG A 17 -15.538 -12.519 -0.980 1.00 50.00 H new ATOM 0 HH11 ARG A 17 -16.225 -12.199 -3.520 1.00 50.00 H new ATOM 0 HH12 ARG A 17 -14.962 -12.857 -4.566 1.00 50.00 H new ATOM 0 HH21 ARG A 17 -13.525 -14.786 -2.029 1.00 50.00 H new ATOM 0 HH22 ARG A 17 -13.446 -14.309 -3.729 1.00 50.00 H new ATOM 292 N PHE A 18 -16.005 -17.774 3.782 1.00 16.66 N ATOM 293 CA PHE A 18 -16.282 -19.110 4.379 1.00 16.66 C ATOM 294 C PHE A 18 -16.939 -18.928 5.748 1.00 16.66 C ATOM 295 O PHE A 18 -17.909 -19.581 6.073 1.00 16.66 O ATOM 296 CB PHE A 18 -14.970 -19.881 4.535 1.00 16.66 C ATOM 297 CG PHE A 18 -14.595 -20.503 3.212 1.00 16.66 C ATOM 298 CD1 PHE A 18 -15.313 -21.601 2.725 1.00 16.66 C ATOM 299 CD2 PHE A 18 -13.529 -19.980 2.470 1.00 16.66 C ATOM 300 CE1 PHE A 18 -14.965 -22.177 1.497 1.00 16.66 C ATOM 301 CE2 PHE A 18 -13.181 -20.555 1.243 1.00 16.66 C ATOM 302 CZ PHE A 18 -13.899 -21.653 0.756 1.00 16.66 C ATOM 0 H PHE A 18 -15.018 -17.527 3.709 1.00 16.66 H new ATOM 0 HA PHE A 18 -16.953 -19.670 3.727 1.00 16.66 H new ATOM 0 HB2 PHE A 18 -14.179 -19.211 4.872 1.00 16.66 H new ATOM 0 HB3 PHE A 18 -15.078 -20.654 5.296 1.00 16.66 H new ATOM 0 HD1 PHE A 18 -16.136 -22.004 3.296 1.00 16.66 H new ATOM 0 HD2 PHE A 18 -12.975 -19.132 2.845 1.00 16.66 H new ATOM 0 HE1 PHE A 18 -15.519 -23.025 1.122 1.00 16.66 H new ATOM 0 HE2 PHE A 18 -12.358 -20.151 0.672 1.00 16.66 H new ATOM 0 HZ PHE A 18 -13.631 -22.096 -0.192 1.00 16.66 H new ATOM 312 N ASP A 19 -16.422 -18.040 6.549 1.00 16.66 N ATOM 313 CA ASP A 19 -17.026 -17.812 7.891 1.00 16.66 C ATOM 314 C ASP A 19 -18.452 -17.283 7.706 1.00 16.66 C ATOM 315 O ASP A 19 -18.658 -16.134 7.366 1.00 16.66 O ATOM 316 CB ASP A 19 -16.182 -16.797 8.668 1.00 16.66 C ATOM 317 CG ASP A 19 -16.416 -16.989 10.161 1.00 16.66 C ATOM 318 OD1 ASP A 19 -17.197 -17.855 10.499 1.00 16.66 O ATOM 319 OD2 ASP A 19 -15.805 -16.275 10.938 1.00 16.66 O ATOM 0 H ASP A 19 -15.609 -17.463 6.334 1.00 16.66 H new ATOM 0 HA ASP A 19 -17.054 -18.746 8.453 1.00 16.66 H new ATOM 0 HB2 ASP A 19 -15.126 -16.929 8.433 1.00 16.66 H new ATOM 0 HB3 ASP A 19 -16.450 -15.782 8.373 1.00 16.66 H new ATOM 324 N ALA A 20 -19.437 -18.120 7.899 1.00 16.66 N ATOM 325 CA ALA A 20 -20.852 -17.683 7.705 1.00 16.66 C ATOM 326 C ALA A 20 -21.257 -16.632 8.743 1.00 16.66 C ATOM 327 O ALA A 20 -21.780 -15.590 8.401 1.00 16.66 O ATOM 328 CB ALA A 20 -21.775 -18.897 7.830 1.00 50.00 C ATOM 0 H ALA A 20 -19.322 -19.093 8.184 1.00 16.66 H new ATOM 0 HA ALA A 20 -20.941 -17.238 6.714 1.00 16.66 H new ATOM 0 HB1 ALA A 20 -22.809 -18.584 7.689 1.00 50.00 H new ATOM 0 HB2 ALA A 20 -21.512 -19.633 7.071 1.00 50.00 H new ATOM 0 HB3 ALA A 20 -21.662 -19.340 8.819 1.00 50.00 H new ATOM 334 N ASN A 21 -21.041 -16.886 10.007 1.00 16.66 N ATOM 335 CA ASN A 21 -21.442 -15.878 11.032 1.00 16.66 C ATOM 336 C ASN A 21 -20.291 -14.902 11.275 1.00 16.66 C ATOM 337 O ASN A 21 -20.499 -13.761 11.639 1.00 16.66 O ATOM 338 CB ASN A 21 -21.833 -16.580 12.338 1.00 16.66 C ATOM 339 CG ASN A 21 -20.633 -17.313 12.940 1.00 16.66 C ATOM 340 OD1 ASN A 21 -19.723 -17.688 12.231 1.00 16.66 O ATOM 341 ND2 ASN A 21 -20.622 -17.524 14.226 1.00 16.66 N ATOM 0 H ASN A 21 -20.610 -17.736 10.371 1.00 16.66 H new ATOM 0 HA ASN A 21 -22.305 -15.321 10.667 1.00 16.66 H new ATOM 0 HB2 ASN A 21 -22.213 -15.848 13.050 1.00 16.66 H new ATOM 0 HB3 ASN A 21 -22.640 -17.288 12.148 1.00 16.66 H new ATOM 0 HD21 ASN A 21 -19.837 -18.013 14.656 1.00 16.66 H new ATOM 0 HD22 ASN A 21 -21.398 -17.200 14.803 1.00 16.66 H new ATOM 348 N GLY A 22 -19.080 -15.332 11.063 1.00 16.66 N ATOM 349 CA GLY A 22 -17.923 -14.416 11.269 1.00 16.66 C ATOM 350 C GLY A 22 -17.427 -14.515 12.712 1.00 16.66 C ATOM 351 O GLY A 22 -16.994 -13.541 13.295 1.00 16.66 O ATOM 0 H GLY A 22 -18.840 -16.275 10.757 1.00 16.66 H new ATOM 0 HA2 GLY A 22 -17.118 -14.673 10.581 1.00 16.66 H new ATOM 0 HA3 GLY A 22 -18.217 -13.390 11.046 1.00 16.66 H new ATOM 355 N ASP A 23 -17.472 -15.682 13.290 1.00 16.66 N ATOM 356 CA ASP A 23 -16.985 -15.826 14.691 1.00 16.66 C ATOM 357 C ASP A 23 -15.489 -16.158 14.675 1.00 16.66 C ATOM 358 O ASP A 23 -14.878 -16.371 15.703 1.00 16.66 O ATOM 359 CB ASP A 23 -17.764 -16.929 15.417 1.00 16.66 C ATOM 360 CG ASP A 23 -17.563 -18.273 14.716 1.00 16.66 C ATOM 361 OD1 ASP A 23 -17.179 -18.267 13.561 1.00 16.66 O ATOM 362 OD2 ASP A 23 -17.805 -19.288 15.348 1.00 16.66 O ATOM 0 H ASP A 23 -17.822 -16.537 12.858 1.00 16.66 H new ATOM 0 HA ASP A 23 -17.143 -14.888 15.224 1.00 16.66 H new ATOM 0 HB2 ASP A 23 -17.430 -16.998 16.452 1.00 16.66 H new ATOM 0 HB3 ASP A 23 -18.825 -16.679 15.440 1.00 16.66 H new ATOM 367 N GLY A 24 -14.891 -16.184 13.511 1.00 16.66 N ATOM 368 CA GLY A 24 -13.432 -16.480 13.424 1.00 16.66 C ATOM 369 C GLY A 24 -13.206 -17.968 13.146 1.00 16.66 C ATOM 370 O GLY A 24 -12.090 -18.402 12.935 1.00 16.66 O ATOM 0 H GLY A 24 -15.352 -16.013 12.617 1.00 16.66 H new ATOM 0 HA2 GLY A 24 -12.980 -15.883 12.632 1.00 16.66 H new ATOM 0 HA3 GLY A 24 -12.941 -16.199 14.356 1.00 16.66 H new ATOM 374 N LYS A 25 -14.242 -18.759 13.152 1.00 16.66 N ATOM 375 CA LYS A 25 -14.060 -20.216 12.898 1.00 16.66 C ATOM 376 C LYS A 25 -15.081 -20.703 11.867 1.00 16.66 C ATOM 377 O LYS A 25 -16.223 -20.269 11.843 1.00 16.66 O ATOM 378 CB LYS A 25 -14.241 -20.992 14.208 1.00 50.00 C ATOM 379 CG LYS A 25 -15.676 -20.834 14.705 1.00 50.00 C ATOM 380 CD LYS A 25 -15.954 -21.880 15.788 1.00 50.00 C ATOM 381 CE LYS A 25 -17.465 -22.034 15.974 1.00 50.00 C ATOM 382 NZ LYS A 25 -18.109 -22.263 14.649 1.00 50.00 N ATOM 0 H LYS A 25 -15.203 -18.462 13.321 1.00 16.66 H new ATOM 0 HA LYS A 25 -13.056 -20.386 12.509 1.00 16.66 H new ATOM 0 HB2 LYS A 25 -14.014 -22.047 14.052 1.00 50.00 H new ATOM 0 HB3 LYS A 25 -13.543 -20.624 14.960 1.00 50.00 H new ATOM 0 HG2 LYS A 25 -15.826 -19.831 15.105 1.00 50.00 H new ATOM 0 HG3 LYS A 25 -16.375 -20.956 13.878 1.00 50.00 H new ATOM 0 HD2 LYS A 25 -15.512 -22.836 15.507 1.00 50.00 H new ATOM 0 HD3 LYS A 25 -15.490 -21.578 16.727 1.00 50.00 H new ATOM 0 HE2 LYS A 25 -17.677 -22.869 16.642 1.00 50.00 H new ATOM 0 HE3 LYS A 25 -17.878 -21.140 16.441 1.00 50.00 H new ATOM 0 HZ1 LYS A 25 -19.088 -22.584 14.790 1.00 50.00 H new ATOM 0 HZ2 LYS A 25 -18.110 -21.376 14.106 1.00 50.00 H new ATOM 0 HZ3 LYS A 25 -17.579 -22.989 14.126 1.00 50.00 H new ATOM 396 N ILE A 26 -14.674 -21.612 11.022 1.00 16.66 N ATOM 397 CA ILE A 26 -15.600 -22.149 9.988 1.00 16.66 C ATOM 398 C ILE A 26 -15.925 -23.611 10.302 1.00 16.66 C ATOM 399 O ILE A 26 -15.057 -24.398 10.623 1.00 16.66 O ATOM 400 CB ILE A 26 -14.934 -22.058 8.615 1.00 16.66 C ATOM 401 CG1 ILE A 26 -14.200 -20.721 8.493 1.00 16.66 C ATOM 402 CG2 ILE A 26 -16.001 -22.155 7.523 1.00 16.66 C ATOM 403 CD1 ILE A 26 -13.602 -20.598 7.092 1.00 16.66 C ATOM 0 H ILE A 26 -13.734 -22.007 11.005 1.00 16.66 H new ATOM 0 HA ILE A 26 -16.521 -21.566 9.986 1.00 16.66 H new ATOM 0 HB ILE A 26 -14.222 -22.876 8.501 1.00 16.66 H new ATOM 0 HG12 ILE A 26 -14.888 -19.897 8.680 1.00 16.66 H new ATOM 0 HG13 ILE A 26 -13.413 -20.656 9.244 1.00 16.66 H new ATOM 0 HG21 ILE A 26 -15.526 -22.090 6.544 1.00 16.66 H new ATOM 0 HG22 ILE A 26 -16.525 -23.107 7.610 1.00 16.66 H new ATOM 0 HG23 ILE A 26 -16.713 -21.337 7.636 1.00 16.66 H new ATOM 0 HD11 ILE A 26 -13.078 -19.646 7.002 1.00 16.66 H new ATOM 0 HD12 ILE A 26 -12.901 -21.415 6.923 1.00 16.66 H new ATOM 0 HD13 ILE A 26 -14.400 -20.645 6.351 1.00 16.66 H new ATOM 415 N SER A 27 -17.172 -23.975 10.209 1.00 16.66 N ATOM 416 CA SER A 27 -17.569 -25.380 10.495 1.00 16.66 C ATOM 417 C SER A 27 -17.928 -26.069 9.181 1.00 16.66 C ATOM 418 O SER A 27 -18.106 -25.426 8.165 1.00 16.66 O ATOM 419 CB SER A 27 -18.787 -25.387 11.419 1.00 50.00 C ATOM 420 OG SER A 27 -19.967 -25.217 10.648 1.00 50.00 O ATOM 0 H SER A 27 -17.938 -23.355 9.945 1.00 16.66 H new ATOM 0 HA SER A 27 -16.745 -25.906 10.978 1.00 16.66 H new ATOM 0 HB2 SER A 27 -18.833 -26.326 11.971 1.00 50.00 H new ATOM 0 HB3 SER A 27 -18.703 -24.588 12.155 1.00 50.00 H new ATOM 0 HG SER A 27 -20.748 -25.223 11.240 1.00 50.00 H new ATOM 426 N ALA A 28 -18.039 -27.366 9.186 1.00 16.66 N ATOM 427 CA ALA A 28 -18.388 -28.072 7.926 1.00 16.66 C ATOM 428 C ALA A 28 -19.607 -27.398 7.304 1.00 16.66 C ATOM 429 O ALA A 28 -19.651 -27.138 6.120 1.00 16.66 O ATOM 430 CB ALA A 28 -18.704 -29.539 8.224 1.00 50.00 C ATOM 0 H ALA A 28 -17.904 -27.964 10.002 1.00 16.66 H new ATOM 0 HA ALA A 28 -17.547 -28.026 7.234 1.00 16.66 H new ATOM 0 HB1 ALA A 28 -18.959 -30.052 7.297 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -17.833 -30.015 8.674 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -19.546 -29.597 8.914 1.00 50.00 H new ATOM 436 N ALA A 29 -20.600 -27.115 8.096 1.00 16.66 N ATOM 437 CA ALA A 29 -21.818 -26.457 7.553 1.00 16.66 C ATOM 438 C ALA A 29 -21.434 -25.136 6.889 1.00 16.66 C ATOM 439 O ALA A 29 -21.968 -24.770 5.861 1.00 16.66 O ATOM 440 CB ALA A 29 -22.804 -26.189 8.692 1.00 50.00 C ATOM 0 H ALA A 29 -20.621 -27.311 9.097 1.00 16.66 H new ATOM 0 HA ALA A 29 -22.284 -27.110 6.815 1.00 16.66 H new ATOM 0 HB1 ALA A 29 -23.697 -25.707 8.294 1.00 50.00 H new ATOM 0 HB2 ALA A 29 -23.080 -27.132 9.163 1.00 50.00 H new ATOM 0 HB3 ALA A 29 -22.338 -25.537 9.431 1.00 50.00 H new ATOM 446 N GLU A 30 -20.513 -24.413 7.465 1.00 16.66 N ATOM 447 CA GLU A 30 -20.104 -23.119 6.856 1.00 16.66 C ATOM 448 C GLU A 30 -19.218 -23.385 5.641 1.00 16.66 C ATOM 449 O GLU A 30 -19.484 -22.912 4.554 1.00 16.66 O ATOM 450 CB GLU A 30 -19.338 -22.282 7.885 1.00 16.66 C ATOM 451 CG GLU A 30 -20.272 -21.921 9.044 1.00 16.66 C ATOM 452 CD GLU A 30 -19.526 -21.038 10.049 1.00 16.66 C ATOM 453 OE1 GLU A 30 -18.501 -21.462 10.531 1.00 16.66 O ATOM 454 OE2 GLU A 30 -19.994 -19.953 10.319 1.00 16.66 O ATOM 0 H GLU A 30 -20.029 -24.662 8.327 1.00 16.66 H new ATOM 0 HA GLU A 30 -20.992 -22.570 6.541 1.00 16.66 H new ATOM 0 HB2 GLU A 30 -18.478 -22.840 8.256 1.00 16.66 H new ATOM 0 HB3 GLU A 30 -18.952 -21.376 7.418 1.00 16.66 H new ATOM 0 HG2 GLU A 30 -21.151 -21.398 8.667 1.00 16.66 H new ATOM 0 HG3 GLU A 30 -20.627 -22.828 9.534 1.00 16.66 H new ATOM 461 N LEU A 31 -18.169 -24.137 5.809 1.00 16.66 N ATOM 462 CA LEU A 31 -17.277 -24.425 4.653 1.00 16.66 C ATOM 463 C LEU A 31 -18.060 -25.221 3.611 1.00 16.66 C ATOM 464 O LEU A 31 -17.927 -25.012 2.423 1.00 16.66 O ATOM 465 CB LEU A 31 -16.069 -25.240 5.122 1.00 16.66 C ATOM 466 CG LEU A 31 -15.182 -25.572 3.921 1.00 16.66 C ATOM 467 CD1 LEU A 31 -14.314 -24.360 3.578 1.00 16.66 C ATOM 468 CD2 LEU A 31 -14.284 -26.763 4.263 1.00 16.66 C ATOM 0 H LEU A 31 -17.891 -24.564 6.693 1.00 16.66 H new ATOM 0 HA LEU A 31 -16.926 -23.490 4.217 1.00 16.66 H new ATOM 0 HB2 LEU A 31 -15.501 -24.676 5.862 1.00 16.66 H new ATOM 0 HB3 LEU A 31 -16.402 -26.158 5.607 1.00 16.66 H new ATOM 0 HG LEU A 31 -15.808 -25.824 3.065 1.00 16.66 H new ATOM 0 HD11 LEU A 31 -13.682 -24.596 2.722 1.00 16.66 H new ATOM 0 HD12 LEU A 31 -14.954 -23.512 3.334 1.00 16.66 H new ATOM 0 HD13 LEU A 31 -13.687 -24.107 4.433 1.00 16.66 H new ATOM 0 HD21 LEU A 31 -13.652 -27.000 3.407 1.00 16.66 H new ATOM 0 HD22 LEU A 31 -13.657 -26.512 5.119 1.00 16.66 H new ATOM 0 HD23 LEU A 31 -14.902 -27.627 4.507 1.00 16.66 H new ATOM 480 N GLY A 32 -18.883 -26.128 4.055 1.00 16.66 N ATOM 481 CA GLY A 32 -19.686 -26.934 3.097 1.00 16.66 C ATOM 482 C GLY A 32 -20.672 -26.016 2.380 1.00 16.66 C ATOM 483 O GLY A 32 -20.821 -26.067 1.176 1.00 16.66 O ATOM 0 H GLY A 32 -19.034 -26.346 5.040 1.00 16.66 H new ATOM 0 HA2 GLY A 32 -19.032 -27.422 2.374 1.00 16.66 H new ATOM 0 HA3 GLY A 32 -20.222 -27.723 3.625 1.00 16.66 H new ATOM 487 N GLU A 33 -21.351 -25.178 3.112 1.00 16.66 N ATOM 488 CA GLU A 33 -22.330 -24.260 2.473 1.00 16.66 C ATOM 489 C GLU A 33 -21.623 -23.418 1.417 1.00 16.66 C ATOM 490 O GLU A 33 -22.125 -23.224 0.327 1.00 16.66 O ATOM 491 CB GLU A 33 -22.939 -23.346 3.536 1.00 50.00 C ATOM 492 CG GLU A 33 -24.178 -24.016 4.134 1.00 50.00 C ATOM 493 CD GLU A 33 -25.396 -23.704 3.263 1.00 50.00 C ATOM 494 OE1 GLU A 33 -25.260 -22.905 2.352 1.00 50.00 O ATOM 495 OE2 GLU A 33 -26.446 -24.270 3.523 1.00 50.00 O ATOM 0 H GLU A 33 -21.269 -25.090 4.125 1.00 16.66 H new ATOM 0 HA GLU A 33 -23.121 -24.842 2.000 1.00 16.66 H new ATOM 0 HB2 GLU A 33 -22.208 -23.143 4.319 1.00 50.00 H new ATOM 0 HB3 GLU A 33 -23.208 -22.386 3.095 1.00 50.00 H new ATOM 0 HG2 GLU A 33 -24.028 -25.094 4.195 1.00 50.00 H new ATOM 0 HG3 GLU A 33 -24.343 -23.659 5.150 1.00 50.00 H new ATOM 502 N ALA A 34 -20.455 -22.929 1.718 1.00 16.66 N ATOM 503 CA ALA A 34 -19.716 -22.118 0.716 1.00 16.66 C ATOM 504 C ALA A 34 -19.175 -23.056 -0.359 1.00 16.66 C ATOM 505 O ALA A 34 -19.194 -22.755 -1.535 1.00 16.66 O ATOM 506 CB ALA A 34 -18.556 -21.390 1.398 1.00 50.00 C ATOM 0 H ALA A 34 -19.981 -23.056 2.612 1.00 16.66 H new ATOM 0 HA ALA A 34 -20.380 -21.379 0.268 1.00 16.66 H new ATOM 0 HB1 ALA A 34 -18.016 -20.796 0.661 1.00 50.00 H new ATOM 0 HB2 ALA A 34 -18.945 -20.735 2.177 1.00 50.00 H new ATOM 0 HB3 ALA A 34 -17.879 -22.120 1.842 1.00 50.00 H new ATOM 512 N LEU A 35 -18.695 -24.198 0.047 1.00 99.99 N ATOM 513 CA LEU A 35 -18.152 -25.173 -0.936 1.00 99.99 C ATOM 514 C LEU A 35 -19.248 -25.568 -1.925 1.00 99.99 C ATOM 515 O LEU A 35 -18.985 -25.834 -3.080 1.00 99.99 O ATOM 516 CB LEU A 35 -17.658 -26.419 -0.198 1.00 99.99 C ATOM 517 CG LEU A 35 -16.129 -26.403 -0.137 1.00 99.99 C ATOM 518 CD1 LEU A 35 -15.632 -27.700 0.506 1.00 99.99 C ATOM 519 CD2 LEU A 35 -15.565 -26.287 -1.555 1.00 99.99 C ATOM 0 H LEU A 35 -18.656 -24.498 1.021 1.00 99.99 H new ATOM 0 HA LEU A 35 -17.323 -24.718 -1.478 1.00 99.99 H new ATOM 0 HB2 LEU A 35 -18.073 -26.446 0.810 1.00 99.99 H new ATOM 0 HB3 LEU A 35 -18.003 -27.318 -0.709 1.00 99.99 H new ATOM 0 HG LEU A 35 -15.796 -25.552 0.457 1.00 99.99 H new ATOM 0 HD11 LEU A 35 -14.543 -27.690 0.550 1.00 99.99 H new ATOM 0 HD12 LEU A 35 -16.035 -27.784 1.515 1.00 99.99 H new ATOM 0 HD13 LEU A 35 -15.963 -28.551 -0.089 1.00 99.99 H new ATOM 0 HD21 LEU A 35 -14.476 -26.275 -1.514 1.00 99.99 H new ATOM 0 HD22 LEU A 35 -15.896 -27.139 -2.149 1.00 99.99 H new ATOM 0 HD23 LEU A 35 -15.920 -25.364 -2.014 1.00 99.99 H new ATOM 531 N LYS A 36 -20.478 -25.612 -1.487 1.00 99.99 N ATOM 532 CA LYS A 36 -21.581 -25.993 -2.413 1.00 99.99 C ATOM 533 C LYS A 36 -21.416 -25.241 -3.734 1.00 99.99 C ATOM 534 O LYS A 36 -21.870 -25.682 -4.772 1.00 99.99 O ATOM 535 CB LYS A 36 -22.925 -25.625 -1.784 1.00 99.99 C ATOM 536 CG LYS A 36 -23.786 -26.882 -1.644 1.00 99.99 C ATOM 537 CD LYS A 36 -25.011 -26.567 -0.783 1.00 99.99 C ATOM 538 CE LYS A 36 -25.031 -27.494 0.433 1.00 99.99 C ATOM 539 NZ LYS A 36 -26.336 -28.213 0.488 1.00 99.99 N ATOM 0 H LYS A 36 -20.765 -25.401 -0.531 1.00 99.99 H new ATOM 0 HA LYS A 36 -21.548 -27.067 -2.597 1.00 99.99 H new ATOM 0 HB2 LYS A 36 -22.768 -25.169 -0.807 1.00 99.99 H new ATOM 0 HB3 LYS A 36 -23.438 -24.888 -2.402 1.00 99.99 H new ATOM 0 HG2 LYS A 36 -24.100 -27.232 -2.627 1.00 99.99 H new ATOM 0 HG3 LYS A 36 -23.205 -27.685 -1.190 1.00 99.99 H new ATOM 0 HD2 LYS A 36 -24.984 -25.526 -0.460 1.00 99.99 H new ATOM 0 HD3 LYS A 36 -25.922 -26.696 -1.367 1.00 99.99 H new ATOM 0 HE2 LYS A 36 -24.211 -28.210 0.371 1.00 99.99 H new ATOM 0 HE3 LYS A 36 -24.883 -26.917 1.346 1.00 99.99 H new ATOM 0 HZ1 LYS A 36 -26.350 -28.844 1.315 1.00 99.99 H new ATOM 0 HZ2 LYS A 36 -27.110 -27.522 0.566 1.00 99.99 H new ATOM 0 HZ3 LYS A 36 -26.459 -28.775 -0.378 1.00 99.99 H new ATOM 553 N THR A 37 -20.773 -24.107 -3.704 1.00 99.99 N ATOM 554 CA THR A 37 -20.581 -23.324 -4.955 1.00 99.99 C ATOM 555 C THR A 37 -20.006 -24.237 -6.035 1.00 99.99 C ATOM 556 O THR A 37 -20.152 -23.990 -7.215 1.00 99.99 O ATOM 557 CB THR A 37 -19.612 -22.170 -4.687 1.00 99.99 C ATOM 558 OG1 THR A 37 -19.634 -21.270 -5.785 1.00 99.99 O ATOM 559 CG2 THR A 37 -18.197 -22.722 -4.505 1.00 99.99 C ATOM 0 H THR A 37 -20.372 -23.688 -2.865 1.00 99.99 H new ATOM 0 HA THR A 37 -21.537 -22.922 -5.290 1.00 99.99 H new ATOM 0 HB THR A 37 -19.914 -21.645 -3.781 1.00 99.99 H new ATOM 0 HG1 THR A 37 -19.760 -20.355 -5.456 1.00 99.99 H new ATOM 0 HG21 THR A 37 -17.507 -21.900 -4.314 1.00 99.99 H new ATOM 0 HG22 THR A 37 -18.181 -23.412 -3.661 1.00 99.99 H new ATOM 0 HG23 THR A 37 -17.893 -23.248 -5.410 1.00 99.99 H new ATOM 567 N LEU A 38 -19.355 -25.294 -5.638 1.00 16.66 N ATOM 568 CA LEU A 38 -18.774 -26.228 -6.643 1.00 16.66 C ATOM 569 C LEU A 38 -19.901 -26.827 -7.486 1.00 16.66 C ATOM 570 O LEU A 38 -19.733 -27.110 -8.655 1.00 16.66 O ATOM 571 CB LEU A 38 -18.019 -27.350 -5.924 1.00 50.00 C ATOM 572 CG LEU A 38 -16.739 -26.789 -5.301 1.00 50.00 C ATOM 573 CD1 LEU A 38 -15.868 -27.944 -4.804 1.00 50.00 C ATOM 574 CD2 LEU A 38 -15.969 -25.986 -6.351 1.00 50.00 C ATOM 0 H LEU A 38 -19.200 -25.552 -4.663 1.00 16.66 H new ATOM 0 HA LEU A 38 -18.083 -25.686 -7.289 1.00 16.66 H new ATOM 0 HB2 LEU A 38 -18.650 -27.789 -5.151 1.00 50.00 H new ATOM 0 HB3 LEU A 38 -17.775 -28.146 -6.627 1.00 50.00 H new ATOM 0 HG LEU A 38 -16.996 -26.139 -4.464 1.00 50.00 H new ATOM 0 HD11 LEU A 38 -14.955 -27.547 -4.360 1.00 50.00 H new ATOM 0 HD12 LEU A 38 -16.416 -28.517 -4.056 1.00 50.00 H new ATOM 0 HD13 LEU A 38 -15.611 -28.593 -5.642 1.00 50.00 H new ATOM 0 HD21 LEU A 38 -15.057 -25.586 -5.907 1.00 50.00 H new ATOM 0 HD22 LEU A 38 -15.711 -26.635 -7.188 1.00 50.00 H new ATOM 0 HD23 LEU A 38 -16.590 -25.164 -6.707 1.00 50.00 H new ATOM 586 N GLY A 39 -21.050 -27.017 -6.900 1.00 16.66 N ATOM 587 CA GLY A 39 -22.192 -27.594 -7.663 1.00 16.66 C ATOM 588 C GLY A 39 -21.903 -29.060 -7.991 1.00 16.66 C ATOM 589 O GLY A 39 -22.643 -29.702 -8.710 1.00 16.66 O ATOM 0 H GLY A 39 -21.248 -26.797 -5.924 1.00 16.66 H new ATOM 0 HA2 GLY A 39 -23.109 -27.516 -7.079 1.00 16.66 H new ATOM 0 HA3 GLY A 39 -22.350 -27.030 -8.582 1.00 16.66 H new ATOM 593 N SER A 40 -20.832 -29.597 -7.473 1.00 16.66 N ATOM 594 CA SER A 40 -20.500 -31.020 -7.760 1.00 16.66 C ATOM 595 C SER A 40 -19.635 -31.583 -6.631 1.00 16.66 C ATOM 596 O SER A 40 -18.545 -32.068 -6.855 1.00 16.66 O ATOM 597 CB SER A 40 -19.732 -31.104 -9.079 1.00 16.66 C ATOM 598 OG SER A 40 -20.594 -31.589 -10.100 1.00 16.66 O ATOM 0 H SER A 40 -20.173 -29.112 -6.864 1.00 16.66 H new ATOM 0 HA SER A 40 -21.420 -31.600 -7.834 1.00 16.66 H new ATOM 0 HB2 SER A 40 -19.346 -30.121 -9.351 1.00 16.66 H new ATOM 0 HB3 SER A 40 -18.872 -31.765 -8.970 1.00 16.66 H new ATOM 0 HG SER A 40 -21.478 -31.178 -10.004 1.00 16.66 H new ATOM 604 N ILE A 41 -20.112 -31.524 -5.416 1.00 16.66 N ATOM 605 CA ILE A 41 -19.312 -32.059 -4.279 1.00 16.66 C ATOM 606 C ILE A 41 -20.245 -32.736 -3.271 1.00 16.66 C ATOM 607 O ILE A 41 -21.452 -32.703 -3.407 1.00 16.66 O ATOM 608 CB ILE A 41 -18.554 -30.912 -3.598 1.00 16.66 C ATOM 609 CG1 ILE A 41 -17.427 -31.485 -2.737 1.00 16.66 C ATOM 610 CG2 ILE A 41 -19.511 -30.109 -2.712 1.00 50.00 C ATOM 611 CD1 ILE A 41 -16.321 -30.440 -2.580 1.00 16.66 C ATOM 0 H ILE A 41 -21.018 -31.130 -5.163 1.00 16.66 H new ATOM 0 HA ILE A 41 -18.595 -32.790 -4.652 1.00 16.66 H new ATOM 0 HB ILE A 41 -18.135 -30.257 -4.362 1.00 16.66 H new ATOM 0 HG12 ILE A 41 -17.813 -31.771 -1.759 1.00 16.66 H new ATOM 0 HG13 ILE A 41 -17.026 -32.388 -3.198 1.00 16.66 H new ATOM 0 HG21 ILE A 41 -18.966 -29.296 -2.231 1.00 50.00 H new ATOM 0 HG22 ILE A 41 -20.313 -29.696 -3.324 1.00 50.00 H new ATOM 0 HG23 ILE A 41 -19.935 -30.762 -1.949 1.00 50.00 H new ATOM 0 HD11 ILE A 41 -15.518 -30.849 -1.966 1.00 16.66 H new ATOM 0 HD12 ILE A 41 -15.928 -30.175 -3.562 1.00 16.66 H new ATOM 0 HD13 ILE A 41 -16.727 -29.550 -2.100 1.00 16.66 H new ATOM 623 N THR A 42 -19.693 -33.343 -2.258 1.00 16.66 N ATOM 624 CA THR A 42 -20.542 -34.017 -1.238 1.00 16.66 C ATOM 625 C THR A 42 -20.174 -33.478 0.140 1.00 16.66 C ATOM 626 O THR A 42 -19.148 -32.852 0.317 1.00 16.66 O ATOM 627 CB THR A 42 -20.304 -35.537 -1.264 1.00 16.66 C ATOM 628 OG1 THR A 42 -19.535 -35.920 -0.131 1.00 16.66 O ATOM 629 CG2 THR A 42 -19.554 -35.934 -2.537 1.00 16.66 C ATOM 0 H THR A 42 -18.688 -33.401 -2.092 1.00 16.66 H new ATOM 0 HA THR A 42 -21.591 -33.820 -1.457 1.00 16.66 H new ATOM 0 HB THR A 42 -21.269 -36.043 -1.244 1.00 16.66 H new ATOM 0 HG1 THR A 42 -19.386 -36.888 -0.149 1.00 16.66 H new ATOM 0 HG21 THR A 42 -19.392 -37.012 -2.543 1.00 16.66 H new ATOM 0 HG22 THR A 42 -20.143 -35.651 -3.409 1.00 16.66 H new ATOM 0 HG23 THR A 42 -18.592 -35.422 -2.567 1.00 16.66 H new ATOM 637 N PRO A 43 -21.020 -33.743 1.140 1.00 16.66 N ATOM 638 CA PRO A 43 -20.767 -33.300 2.508 1.00 16.66 C ATOM 639 C PRO A 43 -19.591 -34.071 3.102 1.00 16.66 C ATOM 640 O PRO A 43 -18.828 -33.558 3.896 1.00 16.66 O ATOM 641 CB PRO A 43 -22.060 -33.649 3.246 1.00 50.00 C ATOM 642 CG PRO A 43 -22.654 -34.763 2.449 1.00 50.00 C ATOM 643 CD PRO A 43 -22.280 -34.495 1.018 1.00 50.00 C ATOM 0 HA PRO A 43 -20.513 -32.242 2.575 1.00 16.66 H new ATOM 0 HB2 PRO A 43 -21.861 -33.957 4.272 1.00 50.00 H new ATOM 0 HB3 PRO A 43 -22.733 -32.793 3.295 1.00 50.00 H new ATOM 0 HG2 PRO A 43 -22.268 -35.728 2.779 1.00 50.00 H new ATOM 0 HG3 PRO A 43 -23.737 -34.795 2.570 1.00 50.00 H new ATOM 0 HD2 PRO A 43 -22.146 -35.419 0.456 1.00 50.00 H new ATOM 0 HD3 PRO A 43 -23.047 -33.917 0.502 1.00 50.00 H new ATOM 651 N ASP A 44 -19.453 -35.311 2.722 1.00 16.66 N ATOM 652 CA ASP A 44 -18.342 -36.142 3.260 1.00 16.66 C ATOM 653 C ASP A 44 -16.997 -35.613 2.759 1.00 16.66 C ATOM 654 O ASP A 44 -15.971 -35.851 3.365 1.00 16.66 O ATOM 655 CB ASP A 44 -18.522 -37.590 2.799 1.00 50.00 C ATOM 656 CG ASP A 44 -19.855 -38.129 3.322 1.00 50.00 C ATOM 657 OD1 ASP A 44 -20.463 -37.456 4.139 1.00 50.00 O ATOM 658 OD2 ASP A 44 -20.244 -39.205 2.898 1.00 50.00 O ATOM 0 H ASP A 44 -20.065 -35.786 2.059 1.00 16.66 H new ATOM 0 HA ASP A 44 -18.359 -36.096 4.349 1.00 16.66 H new ATOM 0 HB2 ASP A 44 -18.498 -37.642 1.711 1.00 50.00 H new ATOM 0 HB3 ASP A 44 -17.700 -38.205 3.166 1.00 50.00 H new ATOM 663 N GLU A 45 -16.979 -34.892 1.668 1.00 16.66 N ATOM 664 CA GLU A 45 -15.685 -34.360 1.165 1.00 16.66 C ATOM 665 C GLU A 45 -15.366 -33.076 1.919 1.00 16.66 C ATOM 666 O GLU A 45 -14.236 -32.817 2.284 1.00 16.66 O ATOM 667 CB GLU A 45 -15.798 -34.065 -0.332 1.00 16.66 C ATOM 668 CG GLU A 45 -15.890 -35.382 -1.106 1.00 16.66 C ATOM 669 CD GLU A 45 -15.570 -35.130 -2.580 1.00 16.66 C ATOM 670 OE1 GLU A 45 -15.063 -34.062 -2.883 1.00 16.66 O ATOM 671 OE2 GLU A 45 -15.835 -36.010 -3.383 1.00 16.66 O ATOM 0 H GLU A 45 -17.798 -34.652 1.110 1.00 16.66 H new ATOM 0 HA GLU A 45 -14.892 -35.092 1.321 1.00 16.66 H new ATOM 0 HB2 GLU A 45 -16.679 -33.454 -0.528 1.00 16.66 H new ATOM 0 HB3 GLU A 45 -14.933 -33.493 -0.667 1.00 16.66 H new ATOM 0 HG2 GLU A 45 -15.193 -36.110 -0.691 1.00 16.66 H new ATOM 0 HG3 GLU A 45 -16.889 -35.805 -1.007 1.00 16.66 H new ATOM 678 N VAL A 46 -16.361 -32.274 2.165 1.00 16.66 N ATOM 679 CA VAL A 46 -16.128 -31.008 2.910 1.00 16.66 C ATOM 680 C VAL A 46 -15.705 -31.348 4.337 1.00 16.66 C ATOM 681 O VAL A 46 -14.877 -30.685 4.928 1.00 16.66 O ATOM 682 CB VAL A 46 -17.414 -30.183 2.935 1.00 50.00 C ATOM 683 CG1 VAL A 46 -17.222 -28.951 3.824 1.00 50.00 C ATOM 684 CG2 VAL A 46 -17.753 -29.738 1.512 1.00 50.00 C ATOM 0 H VAL A 46 -17.327 -32.440 1.882 1.00 16.66 H new ATOM 0 HA VAL A 46 -15.345 -30.428 2.421 1.00 16.66 H new ATOM 0 HB VAL A 46 -18.227 -30.789 3.335 1.00 50.00 H new ATOM 0 HG11 VAL A 46 -18.142 -28.366 3.839 1.00 50.00 H new ATOM 0 HG12 VAL A 46 -16.978 -29.268 4.838 1.00 50.00 H new ATOM 0 HG13 VAL A 46 -16.410 -28.340 3.429 1.00 50.00 H new ATOM 0 HG21 VAL A 46 -18.670 -29.149 1.524 1.00 50.00 H new ATOM 0 HG22 VAL A 46 -16.938 -29.133 1.116 1.00 50.00 H new ATOM 0 HG23 VAL A 46 -17.893 -30.615 0.880 1.00 50.00 H new ATOM 694 N LYS A 47 -16.262 -32.390 4.888 1.00 16.66 N ATOM 695 CA LYS A 47 -15.889 -32.790 6.272 1.00 16.66 C ATOM 696 C LYS A 47 -14.442 -33.276 6.270 1.00 16.66 C ATOM 697 O LYS A 47 -13.676 -32.993 7.170 1.00 16.66 O ATOM 698 CB LYS A 47 -16.808 -33.915 6.749 1.00 16.66 C ATOM 699 CG LYS A 47 -18.230 -33.378 6.916 1.00 16.66 C ATOM 700 CD LYS A 47 -19.130 -34.482 7.472 1.00 16.66 C ATOM 701 CE LYS A 47 -20.581 -33.998 7.490 1.00 50.00 C ATOM 702 NZ LYS A 47 -21.037 -33.849 8.902 1.00 50.00 N ATOM 0 H LYS A 47 -16.960 -32.982 4.439 1.00 16.66 H new ATOM 0 HA LYS A 47 -15.993 -31.938 6.944 1.00 16.66 H new ATOM 0 HB2 LYS A 47 -16.800 -34.735 6.030 1.00 16.66 H new ATOM 0 HB3 LYS A 47 -16.447 -34.317 7.695 1.00 16.66 H new ATOM 0 HG2 LYS A 47 -18.230 -32.521 7.589 1.00 16.66 H new ATOM 0 HG3 LYS A 47 -18.614 -33.030 5.957 1.00 16.66 H new ATOM 0 HD2 LYS A 47 -19.043 -35.380 6.860 1.00 16.66 H new ATOM 0 HD3 LYS A 47 -18.813 -34.751 8.480 1.00 16.66 H new ATOM 0 HE2 LYS A 47 -20.664 -33.045 6.967 1.00 50.00 H new ATOM 0 HE3 LYS A 47 -21.219 -34.708 6.963 1.00 50.00 H new ATOM 0 HZ1 LYS A 47 -22.023 -33.520 8.915 1.00 50.00 H new ATOM 0 HZ2 LYS A 47 -20.972 -34.767 9.387 1.00 50.00 H new ATOM 0 HZ3 LYS A 47 -20.434 -33.156 9.390 1.00 50.00 H new ATOM 716 N HIS A 48 -14.061 -34.002 5.257 1.00 16.66 N ATOM 717 CA HIS A 48 -12.663 -34.505 5.182 1.00 16.66 C ATOM 718 C HIS A 48 -11.711 -33.319 5.027 1.00 16.66 C ATOM 719 O HIS A 48 -10.646 -33.284 5.614 1.00 16.66 O ATOM 720 CB HIS A 48 -12.518 -35.439 3.980 1.00 16.66 C ATOM 721 CG HIS A 48 -11.099 -35.931 3.897 1.00 16.66 C ATOM 722 ND1 HIS A 48 -10.392 -35.952 2.705 1.00 16.66 N ATOM 723 CD2 HIS A 48 -10.243 -36.423 4.850 1.00 16.66 C ATOM 724 CE1 HIS A 48 -9.167 -36.442 2.970 1.00 50.00 C ATOM 725 NE2 HIS A 48 -9.023 -36.744 4.263 1.00 50.00 N ATOM 0 H HIS A 48 -14.660 -34.269 4.476 1.00 16.66 H new ATOM 0 HA HIS A 48 -12.421 -35.053 6.093 1.00 16.66 H new ATOM 0 HB2 HIS A 48 -13.202 -36.282 4.076 1.00 16.66 H new ATOM 0 HB3 HIS A 48 -12.787 -34.914 3.063 1.00 16.66 H new ATOM 0 HD2 HIS A 48 -10.480 -36.543 5.897 1.00 16.66 H new ATOM 0 HE1 HIS A 48 -8.394 -36.575 2.227 1.00 50.00 H new ATOM 0 HE2 HIS A 48 -8.196 -37.127 4.722 1.00 50.00 H new ATOM 733 N MET A 49 -12.087 -32.339 4.249 1.00 16.66 N ATOM 734 CA MET A 49 -11.205 -31.158 4.070 1.00 16.66 C ATOM 735 C MET A 49 -10.950 -30.526 5.435 1.00 16.66 C ATOM 736 O MET A 49 -9.837 -30.177 5.776 1.00 16.66 O ATOM 737 CB MET A 49 -11.892 -30.145 3.156 1.00 16.66 C ATOM 738 CG MET A 49 -11.613 -30.502 1.695 1.00 16.66 C ATOM 739 SD MET A 49 -11.720 -29.009 0.677 1.00 16.66 S ATOM 740 CE MET A 49 -12.820 -29.678 -0.595 1.00 16.66 C ATOM 0 H MET A 49 -12.966 -32.309 3.732 1.00 16.66 H new ATOM 0 HA MET A 49 -10.260 -31.462 3.620 1.00 16.66 H new ATOM 0 HB2 MET A 49 -12.966 -30.142 3.342 1.00 16.66 H new ATOM 0 HB3 MET A 49 -11.529 -29.140 3.371 1.00 16.66 H new ATOM 0 HG2 MET A 49 -10.623 -30.949 1.601 1.00 16.66 H new ATOM 0 HG3 MET A 49 -12.332 -31.244 1.347 1.00 16.66 H new ATOM 0 HE1 MET A 49 -13.023 -28.910 -1.341 1.00 16.66 H new ATOM 0 HE2 MET A 49 -12.344 -30.533 -1.075 1.00 16.66 H new ATOM 0 HE3 MET A 49 -13.757 -29.994 -0.136 1.00 16.66 H new ATOM 750 N MET A 50 -11.978 -30.382 6.219 1.00 16.66 N ATOM 751 CA MET A 50 -11.812 -29.781 7.567 1.00 16.66 C ATOM 752 C MET A 50 -10.888 -30.665 8.400 1.00 16.66 C ATOM 753 O MET A 50 -9.959 -30.198 9.023 1.00 16.66 O ATOM 754 CB MET A 50 -13.177 -29.682 8.243 1.00 16.66 C ATOM 755 CG MET A 50 -13.910 -28.442 7.729 1.00 16.66 C ATOM 756 SD MET A 50 -15.344 -28.114 8.780 1.00 16.66 S ATOM 757 CE MET A 50 -14.440 -27.424 10.186 1.00 50.00 C ATOM 0 H MET A 50 -12.931 -30.656 5.982 1.00 16.66 H new ATOM 0 HA MET A 50 -11.378 -28.785 7.479 1.00 16.66 H new ATOM 0 HB2 MET A 50 -13.764 -30.577 8.035 1.00 16.66 H new ATOM 0 HB3 MET A 50 -13.056 -29.624 9.325 1.00 16.66 H new ATOM 0 HG2 MET A 50 -13.240 -27.583 7.731 1.00 16.66 H new ATOM 0 HG3 MET A 50 -14.228 -28.595 6.698 1.00 16.66 H new ATOM 0 HE1 MET A 50 -15.142 -26.954 10.875 1.00 50.00 H new ATOM 0 HE2 MET A 50 -13.905 -28.222 10.701 1.00 50.00 H new ATOM 0 HE3 MET A 50 -13.727 -26.680 9.831 1.00 50.00 H new ATOM 767 N ALA A 51 -11.135 -31.941 8.411 1.00 16.66 N ATOM 768 CA ALA A 51 -10.268 -32.862 9.197 1.00 16.66 C ATOM 769 C ALA A 51 -8.821 -32.708 8.727 1.00 16.66 C ATOM 770 O ALA A 51 -7.888 -33.055 9.427 1.00 16.66 O ATOM 771 CB ALA A 51 -10.726 -34.306 8.982 1.00 50.00 C ATOM 0 H ALA A 51 -11.901 -32.389 7.909 1.00 16.66 H new ATOM 0 HA ALA A 51 -10.338 -32.618 10.257 1.00 16.66 H new ATOM 0 HB1 ALA A 51 -10.091 -34.979 9.558 1.00 50.00 H new ATOM 0 HB2 ALA A 51 -11.760 -34.413 9.311 1.00 50.00 H new ATOM 0 HB3 ALA A 51 -10.655 -34.557 7.924 1.00 50.00 H new ATOM 777 N GLU A 52 -8.627 -32.185 7.548 1.00 16.66 N ATOM 778 CA GLU A 52 -7.243 -32.002 7.031 1.00 16.66 C ATOM 779 C GLU A 52 -6.799 -30.563 7.294 1.00 16.66 C ATOM 780 O GLU A 52 -5.650 -30.297 7.586 1.00 16.66 O ATOM 781 CB GLU A 52 -7.217 -32.280 5.526 1.00 16.66 C ATOM 782 CG GLU A 52 -7.074 -33.784 5.289 1.00 16.66 C ATOM 783 CD GLU A 52 -6.602 -34.031 3.855 1.00 16.66 C ATOM 784 OE1 GLU A 52 -6.459 -33.064 3.124 1.00 16.66 O ATOM 785 OE2 GLU A 52 -6.392 -35.182 3.511 1.00 16.66 O ATOM 0 H GLU A 52 -9.369 -31.876 6.920 1.00 16.66 H new ATOM 0 HA GLU A 52 -6.567 -32.693 7.535 1.00 16.66 H new ATOM 0 HB2 GLU A 52 -8.132 -31.913 5.062 1.00 16.66 H new ATOM 0 HB3 GLU A 52 -6.388 -31.747 5.061 1.00 16.66 H new ATOM 0 HG2 GLU A 52 -6.361 -34.208 5.996 1.00 16.66 H new ATOM 0 HG3 GLU A 52 -8.028 -34.282 5.460 1.00 16.66 H new ATOM 792 N ILE A 53 -7.708 -29.634 7.195 1.00 16.66 N ATOM 793 CA ILE A 53 -7.359 -28.210 7.441 1.00 16.66 C ATOM 794 C ILE A 53 -7.358 -27.935 8.944 1.00 16.66 C ATOM 795 O ILE A 53 -6.608 -27.117 9.438 1.00 16.66 O ATOM 796 CB ILE A 53 -8.404 -27.326 6.769 1.00 16.66 C ATOM 797 CG1 ILE A 53 -8.393 -27.586 5.264 1.00 16.66 C ATOM 798 CG2 ILE A 53 -8.077 -25.861 7.046 1.00 16.66 C ATOM 799 CD1 ILE A 53 -9.517 -26.791 4.602 1.00 50.00 C ATOM 0 H ILE A 53 -8.684 -29.803 6.952 1.00 16.66 H new ATOM 0 HA ILE A 53 -6.370 -27.997 7.035 1.00 16.66 H new ATOM 0 HB ILE A 53 -9.393 -27.555 7.165 1.00 16.66 H new ATOM 0 HG12 ILE A 53 -7.431 -27.297 4.841 1.00 16.66 H new ATOM 0 HG13 ILE A 53 -8.521 -28.650 5.067 1.00 16.66 H new ATOM 0 HG21 ILE A 53 -8.822 -25.225 6.567 1.00 16.66 H new ATOM 0 HG22 ILE A 53 -8.085 -25.683 8.121 1.00 16.66 H new ATOM 0 HG23 ILE A 53 -7.090 -25.627 6.647 1.00 16.66 H new ATOM 0 HD11 ILE A 53 -9.510 -26.976 3.528 1.00 50.00 H new ATOM 0 HD12 ILE A 53 -10.476 -27.102 5.017 1.00 50.00 H new ATOM 0 HD13 ILE A 53 -9.369 -25.727 4.788 1.00 50.00 H new ATOM 811 N ASP A 54 -8.193 -28.617 9.675 1.00 16.66 N ATOM 812 CA ASP A 54 -8.257 -28.417 11.145 1.00 16.66 C ATOM 813 C ASP A 54 -6.892 -28.751 11.759 1.00 16.66 C ATOM 814 O ASP A 54 -6.544 -29.901 11.931 1.00 16.66 O ATOM 815 CB ASP A 54 -9.330 -29.354 11.702 1.00 16.66 C ATOM 816 CG ASP A 54 -9.904 -28.790 13.003 1.00 16.66 C ATOM 817 OD1 ASP A 54 -9.506 -27.705 13.383 1.00 16.66 O ATOM 818 OD2 ASP A 54 -10.743 -29.452 13.592 1.00 16.66 O ATOM 0 H ASP A 54 -8.842 -29.314 9.309 1.00 16.66 H new ATOM 0 HA ASP A 54 -8.505 -27.383 11.386 1.00 16.66 H new ATOM 0 HB2 ASP A 54 -10.127 -29.481 10.970 1.00 16.66 H new ATOM 0 HB3 ASP A 54 -8.903 -30.340 11.882 1.00 16.66 H new ATOM 823 N THR A 55 -6.113 -27.751 12.072 1.00 16.66 N ATOM 824 CA THR A 55 -4.761 -28.005 12.654 1.00 16.66 C ATOM 825 C THR A 55 -4.881 -28.505 14.095 1.00 16.66 C ATOM 826 O THR A 55 -4.217 -29.442 14.491 1.00 16.66 O ATOM 827 CB THR A 55 -3.949 -26.709 12.639 1.00 50.00 C ATOM 828 OG1 THR A 55 -4.694 -25.678 13.272 1.00 50.00 O ATOM 829 CG2 THR A 55 -3.646 -26.311 11.194 1.00 50.00 C ATOM 0 H THR A 55 -6.354 -26.767 11.950 1.00 16.66 H new ATOM 0 HA THR A 55 -4.262 -28.767 12.056 1.00 16.66 H new ATOM 0 HB THR A 55 -3.012 -26.861 13.174 1.00 50.00 H new ATOM 0 HG1 THR A 55 -5.607 -25.991 13.441 1.00 50.00 H new ATOM 0 HG21 THR A 55 -3.067 -25.387 11.185 1.00 50.00 H new ATOM 0 HG22 THR A 55 -3.073 -27.103 10.711 1.00 50.00 H new ATOM 0 HG23 THR A 55 -4.581 -26.159 10.655 1.00 50.00 H new ATOM 837 N ASP A 56 -5.711 -27.887 14.885 1.00 16.66 N ATOM 838 CA ASP A 56 -5.853 -28.333 16.301 1.00 16.66 C ATOM 839 C ASP A 56 -6.905 -29.442 16.384 1.00 16.66 C ATOM 840 O ASP A 56 -6.752 -30.406 17.109 1.00 16.66 O ATOM 841 CB ASP A 56 -6.263 -27.145 17.180 1.00 16.66 C ATOM 842 CG ASP A 56 -7.760 -26.875 17.028 1.00 16.66 C ATOM 843 OD1 ASP A 56 -8.184 -26.585 15.921 1.00 16.66 O ATOM 844 OD2 ASP A 56 -8.458 -26.965 18.023 1.00 16.66 O ATOM 0 H ASP A 56 -6.296 -27.096 14.615 1.00 16.66 H new ATOM 0 HA ASP A 56 -4.899 -28.721 16.659 1.00 16.66 H new ATOM 0 HB2 ASP A 56 -6.027 -27.355 18.223 1.00 16.66 H new ATOM 0 HB3 ASP A 56 -5.695 -26.259 16.897 1.00 16.66 H new ATOM 849 N GLY A 57 -7.961 -29.320 15.632 1.00 16.66 N ATOM 850 CA GLY A 57 -9.011 -30.375 15.652 1.00 16.66 C ATOM 851 C GLY A 57 -10.212 -29.927 16.491 1.00 16.66 C ATOM 852 O GLY A 57 -10.911 -30.741 17.061 1.00 16.66 O ATOM 0 H GLY A 57 -8.143 -28.537 15.005 1.00 16.66 H new ATOM 0 HA2 GLY A 57 -9.333 -30.594 14.634 1.00 16.66 H new ATOM 0 HA3 GLY A 57 -8.599 -31.298 16.061 1.00 16.66 H new ATOM 856 N ASP A 58 -10.475 -28.650 16.566 1.00 16.66 N ATOM 857 CA ASP A 58 -11.649 -28.192 17.365 1.00 16.66 C ATOM 858 C ASP A 58 -12.916 -28.335 16.517 1.00 16.66 C ATOM 859 O ASP A 58 -14.014 -28.101 16.981 1.00 16.66 O ATOM 860 CB ASP A 58 -11.469 -26.730 17.786 1.00 50.00 C ATOM 861 CG ASP A 58 -11.626 -25.813 16.571 1.00 50.00 C ATOM 862 OD1 ASP A 58 -11.040 -26.114 15.548 1.00 50.00 O ATOM 863 OD2 ASP A 58 -12.329 -24.824 16.689 1.00 50.00 O ATOM 0 H ASP A 58 -9.935 -27.912 16.115 1.00 16.66 H new ATOM 0 HA ASP A 58 -11.734 -28.803 18.264 1.00 16.66 H new ATOM 0 HB2 ASP A 58 -12.205 -26.469 18.547 1.00 50.00 H new ATOM 0 HB3 ASP A 58 -10.485 -26.590 18.233 1.00 50.00 H new ATOM 868 N GLY A 59 -12.772 -28.727 15.277 1.00 16.66 N ATOM 869 CA GLY A 59 -13.967 -28.894 14.403 1.00 16.66 C ATOM 870 C GLY A 59 -14.134 -27.662 13.512 1.00 16.66 C ATOM 871 O GLY A 59 -15.031 -27.598 12.695 1.00 16.66 O ATOM 0 H GLY A 59 -11.878 -28.938 14.834 1.00 16.66 H new ATOM 0 HA2 GLY A 59 -13.857 -29.787 13.788 1.00 16.66 H new ATOM 0 HA3 GLY A 59 -14.859 -29.036 15.014 1.00 16.66 H new ATOM 875 N PHE A 60 -13.291 -26.678 13.666 1.00 16.66 N ATOM 876 CA PHE A 60 -13.433 -25.456 12.826 1.00 16.66 C ATOM 877 C PHE A 60 -12.073 -24.975 12.310 1.00 16.66 C ATOM 878 O PHE A 60 -11.020 -25.237 12.884 1.00 16.66 O ATOM 879 CB PHE A 60 -14.068 -24.341 13.652 1.00 50.00 C ATOM 880 CG PHE A 60 -15.297 -24.862 14.351 1.00 50.00 C ATOM 881 CD1 PHE A 60 -15.191 -25.427 15.627 1.00 50.00 C ATOM 882 CD2 PHE A 60 -16.543 -24.778 13.724 1.00 50.00 C ATOM 883 CE1 PHE A 60 -16.334 -25.909 16.275 1.00 50.00 C ATOM 884 CE2 PHE A 60 -17.686 -25.261 14.370 1.00 50.00 C ATOM 885 CZ PHE A 60 -17.582 -25.826 15.646 1.00 50.00 C ATOM 0 H PHE A 60 -12.517 -26.667 14.330 1.00 16.66 H new ATOM 0 HA PHE A 60 -14.063 -25.705 11.972 1.00 16.66 H new ATOM 0 HB2 PHE A 60 -13.353 -23.966 14.384 1.00 50.00 H new ATOM 0 HB3 PHE A 60 -14.333 -23.503 13.007 1.00 50.00 H new ATOM 0 HD1 PHE A 60 -14.228 -25.491 16.111 1.00 50.00 H new ATOM 0 HD2 PHE A 60 -16.624 -24.340 12.740 1.00 50.00 H new ATOM 0 HE1 PHE A 60 -16.253 -26.345 17.260 1.00 50.00 H new ATOM 0 HE2 PHE A 60 -18.648 -25.198 13.884 1.00 50.00 H new ATOM 0 HZ PHE A 60 -18.464 -26.198 16.145 1.00 50.00 H new ATOM 895 N ILE A 61 -12.098 -24.246 11.228 1.00 16.66 N ATOM 896 CA ILE A 61 -10.844 -23.708 10.657 1.00 16.66 C ATOM 897 C ILE A 61 -10.795 -22.205 10.935 1.00 16.66 C ATOM 898 O ILE A 61 -11.716 -21.476 10.624 1.00 16.66 O ATOM 899 CB ILE A 61 -10.827 -23.951 9.146 1.00 16.66 C ATOM 900 CG1 ILE A 61 -11.141 -25.422 8.859 1.00 16.66 C ATOM 901 CG2 ILE A 61 -9.445 -23.604 8.590 1.00 16.66 C ATOM 902 CD1 ILE A 61 -10.161 -26.318 9.623 1.00 16.66 C ATOM 0 H ILE A 61 -12.945 -24.001 10.715 1.00 16.66 H new ATOM 0 HA ILE A 61 -9.982 -24.201 11.106 1.00 16.66 H new ATOM 0 HB ILE A 61 -11.579 -23.322 8.669 1.00 16.66 H new ATOM 0 HG12 ILE A 61 -12.165 -25.650 9.156 1.00 16.66 H new ATOM 0 HG13 ILE A 61 -11.069 -25.617 7.789 1.00 16.66 H new ATOM 0 HG21 ILE A 61 -9.432 -23.777 7.514 1.00 16.66 H new ATOM 0 HG22 ILE A 61 -9.224 -22.556 8.792 1.00 16.66 H new ATOM 0 HG23 ILE A 61 -8.693 -24.232 9.067 1.00 16.66 H new ATOM 0 HD11 ILE A 61 -10.387 -27.364 9.416 1.00 16.66 H new ATOM 0 HD12 ILE A 61 -9.142 -26.098 9.304 1.00 16.66 H new ATOM 0 HD13 ILE A 61 -10.255 -26.131 10.693 1.00 16.66 H new ATOM 914 N SER A 62 -9.730 -21.732 11.513 1.00 16.66 N ATOM 915 CA SER A 62 -9.624 -20.279 11.804 1.00 16.66 C ATOM 916 C SER A 62 -8.888 -19.600 10.652 1.00 16.66 C ATOM 917 O SER A 62 -8.305 -20.252 9.809 1.00 16.66 O ATOM 918 CB SER A 62 -8.844 -20.072 13.104 1.00 16.66 C ATOM 919 OG SER A 62 -8.344 -21.320 13.560 1.00 16.66 O ATOM 0 H SER A 62 -8.926 -22.291 11.797 1.00 16.66 H new ATOM 0 HA SER A 62 -10.620 -19.849 11.913 1.00 16.66 H new ATOM 0 HB2 SER A 62 -8.021 -19.376 12.940 1.00 16.66 H new ATOM 0 HB3 SER A 62 -9.490 -19.628 13.862 1.00 16.66 H new ATOM 0 HG SER A 62 -7.843 -21.187 14.392 1.00 16.66 H new ATOM 925 N PHE A 63 -8.909 -18.300 10.602 1.00 16.66 N ATOM 926 CA PHE A 63 -8.207 -17.604 9.495 1.00 16.66 C ATOM 927 C PHE A 63 -6.754 -18.063 9.473 1.00 16.66 C ATOM 928 O PHE A 63 -6.189 -18.336 8.433 1.00 16.66 O ATOM 929 CB PHE A 63 -8.258 -16.094 9.709 1.00 16.66 C ATOM 930 CG PHE A 63 -7.553 -15.425 8.558 1.00 16.66 C ATOM 931 CD1 PHE A 63 -7.958 -15.694 7.246 1.00 16.66 C ATOM 932 CD2 PHE A 63 -6.491 -14.547 8.798 1.00 16.66 C ATOM 933 CE1 PHE A 63 -7.303 -15.083 6.173 1.00 16.66 C ATOM 934 CE2 PHE A 63 -5.834 -13.936 7.724 1.00 16.66 C ATOM 935 CZ PHE A 63 -6.241 -14.204 6.411 1.00 16.66 C ATOM 0 H PHE A 63 -9.378 -17.694 11.275 1.00 16.66 H new ATOM 0 HA PHE A 63 -8.692 -17.842 8.549 1.00 16.66 H new ATOM 0 HB2 PHE A 63 -9.292 -15.754 9.769 1.00 16.66 H new ATOM 0 HB3 PHE A 63 -7.780 -15.829 10.652 1.00 16.66 H new ATOM 0 HD1 PHE A 63 -8.777 -16.374 7.062 1.00 16.66 H new ATOM 0 HD2 PHE A 63 -6.178 -14.341 9.811 1.00 16.66 H new ATOM 0 HE1 PHE A 63 -7.617 -15.289 5.160 1.00 16.66 H new ATOM 0 HE2 PHE A 63 -5.014 -13.258 7.908 1.00 16.66 H new ATOM 0 HZ PHE A 63 -5.735 -13.732 5.582 1.00 16.66 H new ATOM 945 N GLN A 64 -6.149 -18.157 10.621 1.00 16.66 N ATOM 946 CA GLN A 64 -4.736 -18.607 10.686 1.00 16.66 C ATOM 947 C GLN A 64 -4.637 -20.021 10.109 1.00 16.66 C ATOM 948 O GLN A 64 -3.807 -20.305 9.269 1.00 16.66 O ATOM 949 CB GLN A 64 -4.286 -18.613 12.145 1.00 16.66 C ATOM 950 CG GLN A 64 -2.779 -18.873 12.217 1.00 16.66 C ATOM 951 CD GLN A 64 -2.027 -17.690 11.604 1.00 50.00 C ATOM 952 OE1 GLN A 64 -2.217 -16.559 12.006 1.00 50.00 O ATOM 953 NE2 GLN A 64 -1.174 -17.903 10.639 1.00 50.00 N ATOM 0 H GLN A 64 -6.576 -17.940 11.522 1.00 16.66 H new ATOM 0 HA GLN A 64 -4.099 -17.935 10.111 1.00 16.66 H new ATOM 0 HB2 GLN A 64 -4.523 -17.658 12.613 1.00 16.66 H new ATOM 0 HB3 GLN A 64 -4.825 -19.382 12.699 1.00 16.66 H new ATOM 0 HG2 GLN A 64 -2.473 -19.015 13.253 1.00 16.66 H new ATOM 0 HG3 GLN A 64 -2.532 -19.791 11.683 1.00 16.66 H new ATOM 0 HE21 GLN A 64 -1.013 -18.852 10.300 1.00 50.00 H new ATOM 0 HE22 GLN A 64 -0.668 -17.121 10.224 1.00 50.00 H new ATOM 962 N GLU A 65 -5.488 -20.908 10.551 1.00 16.66 N ATOM 963 CA GLU A 65 -5.455 -22.303 10.026 1.00 16.66 C ATOM 964 C GLU A 65 -5.652 -22.270 8.513 1.00 16.66 C ATOM 965 O GLU A 65 -4.931 -22.901 7.766 1.00 16.66 O ATOM 966 CB GLU A 65 -6.587 -23.112 10.664 1.00 16.66 C ATOM 967 CG GLU A 65 -6.064 -23.853 11.897 1.00 16.66 C ATOM 968 CD GLU A 65 -7.234 -24.497 12.649 1.00 16.66 C ATOM 969 OE1 GLU A 65 -8.365 -24.193 12.334 1.00 16.66 O ATOM 970 OE2 GLU A 65 -6.980 -25.286 13.531 1.00 16.66 O ATOM 0 H GLU A 65 -6.205 -20.726 11.253 1.00 16.66 H new ATOM 0 HA GLU A 65 -4.497 -22.764 10.265 1.00 16.66 H new ATOM 0 HB2 GLU A 65 -7.405 -22.450 10.946 1.00 16.66 H new ATOM 0 HB3 GLU A 65 -6.988 -23.825 9.943 1.00 16.66 H new ATOM 0 HG2 GLU A 65 -5.348 -24.618 11.597 1.00 16.66 H new ATOM 0 HG3 GLU A 65 -5.535 -23.161 12.552 1.00 16.66 H new ATOM 977 N PHE A 66 -6.625 -21.534 8.059 1.00 16.66 N ATOM 978 CA PHE A 66 -6.879 -21.448 6.596 1.00 16.66 C ATOM 979 C PHE A 66 -5.654 -20.853 5.905 1.00 16.66 C ATOM 980 O PHE A 66 -5.279 -21.256 4.822 1.00 16.66 O ATOM 981 CB PHE A 66 -8.094 -20.555 6.348 1.00 16.66 C ATOM 982 CG PHE A 66 -8.444 -20.571 4.880 1.00 16.66 C ATOM 983 CD1 PHE A 66 -7.820 -19.677 4.001 1.00 16.66 C ATOM 984 CD2 PHE A 66 -9.394 -21.479 4.397 1.00 16.66 C ATOM 985 CE1 PHE A 66 -8.145 -19.692 2.640 1.00 16.66 C ATOM 986 CE2 PHE A 66 -9.721 -21.493 3.036 1.00 16.66 C ATOM 987 CZ PHE A 66 -9.096 -20.600 2.157 1.00 16.66 C ATOM 0 H PHE A 66 -7.258 -20.986 8.641 1.00 16.66 H new ATOM 0 HA PHE A 66 -7.072 -22.443 6.195 1.00 16.66 H new ATOM 0 HB2 PHE A 66 -8.941 -20.905 6.938 1.00 16.66 H new ATOM 0 HB3 PHE A 66 -7.880 -19.536 6.670 1.00 16.66 H new ATOM 0 HD1 PHE A 66 -7.088 -18.976 4.374 1.00 16.66 H new ATOM 0 HD2 PHE A 66 -9.875 -22.169 5.075 1.00 16.66 H new ATOM 0 HE1 PHE A 66 -7.663 -19.004 1.962 1.00 16.66 H new ATOM 0 HE2 PHE A 66 -10.455 -22.192 2.664 1.00 16.66 H new ATOM 0 HZ PHE A 66 -9.347 -20.611 1.107 1.00 16.66 H new ATOM 997 N THR A 67 -5.024 -19.898 6.528 1.00 16.66 N ATOM 998 CA THR A 67 -3.818 -19.275 5.916 1.00 16.66 C ATOM 999 C THR A 67 -2.700 -20.314 5.835 1.00 16.66 C ATOM 1000 O THR A 67 -2.064 -20.479 4.813 1.00 16.66 O ATOM 1001 CB THR A 67 -3.361 -18.097 6.780 1.00 50.00 C ATOM 1002 OG1 THR A 67 -4.330 -17.060 6.714 1.00 50.00 O ATOM 1003 CG2 THR A 67 -2.017 -17.577 6.266 1.00 50.00 C ATOM 0 H THR A 67 -5.293 -19.521 7.437 1.00 16.66 H new ATOM 0 HA THR A 67 -4.057 -18.918 4.914 1.00 16.66 H new ATOM 0 HB THR A 67 -3.250 -18.425 7.814 1.00 50.00 H new ATOM 0 HG1 THR A 67 -5.098 -17.293 7.277 1.00 50.00 H new ATOM 0 HG21 THR A 67 -1.692 -16.738 6.881 1.00 50.00 H new ATOM 0 HG22 THR A 67 -1.275 -18.374 6.317 1.00 50.00 H new ATOM 0 HG23 THR A 67 -2.125 -17.248 5.232 1.00 50.00 H new ATOM 1011 N ASP A 68 -2.455 -21.020 6.906 1.00 25.00 N ATOM 1012 CA ASP A 68 -1.379 -22.050 6.891 1.00 25.00 C ATOM 1013 C ASP A 68 -1.699 -23.102 5.828 1.00 25.00 C ATOM 1014 O ASP A 68 -0.827 -23.581 5.131 1.00 25.00 O ATOM 1015 CB ASP A 68 -1.294 -22.720 8.264 1.00 25.00 C ATOM 1016 CG ASP A 68 -0.923 -21.674 9.318 1.00 25.00 C ATOM 1017 OD1 ASP A 68 -0.499 -20.597 8.931 1.00 50.00 O ATOM 1018 OD2 ASP A 68 -1.067 -21.970 10.492 1.00 50.00 O ATOM 0 H ASP A 68 -2.954 -20.927 7.791 1.00 25.00 H new ATOM 0 HA ASP A 68 -0.425 -21.577 6.660 1.00 25.00 H new ATOM 0 HB2 ASP A 68 -2.249 -23.182 8.515 1.00 25.00 H new ATOM 0 HB3 ASP A 68 -0.549 -23.516 8.247 1.00 25.00 H new ATOM 1023 N PHE A 69 -2.946 -23.458 5.696 1.00 25.00 N ATOM 1024 CA PHE A 69 -3.332 -24.468 4.679 1.00 25.00 C ATOM 1025 C PHE A 69 -3.317 -23.794 3.302 1.00 25.00 C ATOM 1026 O PHE A 69 -2.910 -24.377 2.317 1.00 25.00 O ATOM 1027 CB PHE A 69 -4.732 -25.005 5.036 1.00 25.00 C ATOM 1028 CG PHE A 69 -5.530 -25.300 3.791 1.00 25.00 C ATOM 1029 CD1 PHE A 69 -6.057 -24.246 3.043 1.00 25.00 C ATOM 1030 CD2 PHE A 69 -5.738 -26.622 3.387 1.00 25.00 C ATOM 1031 CE1 PHE A 69 -6.797 -24.511 1.886 1.00 50.00 C ATOM 1032 CE2 PHE A 69 -6.477 -26.891 2.232 1.00 50.00 C ATOM 1033 CZ PHE A 69 -7.006 -25.835 1.478 1.00 50.00 C ATOM 0 H PHE A 69 -3.717 -23.089 6.253 1.00 25.00 H new ATOM 0 HA PHE A 69 -2.637 -25.308 4.659 1.00 25.00 H new ATOM 0 HB2 PHE A 69 -4.636 -25.911 5.634 1.00 25.00 H new ATOM 0 HB3 PHE A 69 -5.261 -24.274 5.647 1.00 25.00 H new ATOM 0 HD1 PHE A 69 -5.893 -23.226 3.358 1.00 25.00 H new ATOM 0 HD2 PHE A 69 -5.328 -27.435 3.967 1.00 25.00 H new ATOM 0 HE1 PHE A 69 -7.207 -23.696 1.308 1.00 50.00 H new ATOM 0 HE2 PHE A 69 -6.640 -27.912 1.921 1.00 50.00 H new ATOM 0 HZ PHE A 69 -7.574 -26.041 0.583 1.00 50.00 H new ATOM 1043 N GLY A 70 -3.751 -22.566 3.235 1.00 16.66 N ATOM 1044 CA GLY A 70 -3.755 -21.847 1.930 1.00 16.66 C ATOM 1045 C GLY A 70 -2.336 -21.839 1.360 1.00 16.66 C ATOM 1046 O GLY A 70 -2.137 -21.813 0.161 1.00 16.66 O ATOM 0 H GLY A 70 -4.103 -22.029 4.028 1.00 16.66 H new ATOM 0 HA2 GLY A 70 -4.437 -22.335 1.234 1.00 16.66 H new ATOM 0 HA3 GLY A 70 -4.112 -20.826 2.064 1.00 16.66 H new ATOM 1050 N ARG A 71 -1.348 -21.871 2.211 1.00 25.00 N ATOM 1051 CA ARG A 71 0.059 -21.875 1.721 1.00 25.00 C ATOM 1052 C ARG A 71 0.350 -23.226 1.067 1.00 25.00 C ATOM 1053 O ARG A 71 1.149 -23.332 0.159 1.00 25.00 O ATOM 1054 CB ARG A 71 1.013 -21.660 2.897 1.00 50.00 C ATOM 1055 CG ARG A 71 0.798 -20.261 3.478 1.00 50.00 C ATOM 1056 CD ARG A 71 1.811 -20.013 4.598 1.00 50.00 C ATOM 1057 NE ARG A 71 1.634 -21.038 5.665 1.00 50.00 N ATOM 1058 CZ ARG A 71 2.274 -20.921 6.797 1.00 50.00 C ATOM 1059 NH1 ARG A 71 2.875 -19.802 7.094 1.00 50.00 N ATOM 1060 NH2 ARG A 71 2.313 -21.925 7.631 1.00 50.00 N ATOM 0 H ARG A 71 -1.454 -21.895 3.225 1.00 25.00 H new ATOM 0 HA ARG A 71 0.200 -21.074 0.996 1.00 25.00 H new ATOM 0 HB2 ARG A 71 0.838 -22.415 3.664 1.00 50.00 H new ATOM 0 HB3 ARG A 71 2.046 -21.774 2.567 1.00 50.00 H new ATOM 0 HG2 ARG A 71 0.912 -19.510 2.697 1.00 50.00 H new ATOM 0 HG3 ARG A 71 -0.217 -20.168 3.864 1.00 50.00 H new ATOM 0 HD2 ARG A 71 2.825 -20.057 4.201 1.00 50.00 H new ATOM 0 HD3 ARG A 71 1.674 -19.014 5.012 1.00 50.00 H new ATOM 0 HE ARG A 71 1.012 -21.832 5.511 1.00 50.00 H new ATOM 0 HH11 ARG A 71 2.845 -19.018 6.442 1.00 50.00 H new ATOM 0 HH12 ARG A 71 3.375 -19.711 7.978 1.00 50.00 H new ATOM 0 HH21 ARG A 71 1.844 -22.800 7.398 1.00 50.00 H new ATOM 0 HH22 ARG A 71 2.813 -21.834 8.515 1.00 50.00 H new ATOM 1074 N ALA A 72 -0.303 -24.259 1.523 1.00 25.00 N ATOM 1075 CA ALA A 72 -0.079 -25.607 0.931 1.00 25.00 C ATOM 1076 C ALA A 72 -0.658 -25.636 -0.485 1.00 25.00 C ATOM 1077 O ALA A 72 -0.258 -26.427 -1.316 1.00 25.00 O ATOM 1078 CB ALA A 72 -0.778 -26.661 1.793 1.00 50.00 C ATOM 0 H ALA A 72 -0.984 -24.227 2.282 1.00 25.00 H new ATOM 0 HA ALA A 72 0.989 -25.821 0.893 1.00 25.00 H new ATOM 0 HB1 ALA A 72 -0.616 -27.649 1.362 1.00 50.00 H new ATOM 0 HB2 ALA A 72 -0.370 -26.634 2.803 1.00 50.00 H new ATOM 0 HB3 ALA A 72 -1.847 -26.451 1.828 1.00 50.00 H new ATOM 1084 N ASN A 73 -1.599 -24.775 -0.763 1.00 25.00 N ATOM 1085 CA ASN A 73 -2.207 -24.743 -2.122 1.00 25.00 C ATOM 1086 C ASN A 73 -2.631 -23.309 -2.444 1.00 25.00 C ATOM 1087 O ASN A 73 -3.785 -23.035 -2.712 1.00 25.00 O ATOM 1088 CB ASN A 73 -3.431 -25.660 -2.157 1.00 25.00 C ATOM 1089 CG ASN A 73 -3.184 -26.873 -1.260 1.00 25.00 C ATOM 1090 OD1 ASN A 73 -2.424 -27.756 -1.606 1.00 50.00 O ATOM 1091 ND2 ASN A 73 -3.798 -26.954 -0.112 1.00 50.00 N ATOM 0 H ASN A 73 -1.973 -24.091 -0.105 1.00 25.00 H new ATOM 0 HA ASN A 73 -1.481 -25.086 -2.859 1.00 25.00 H new ATOM 0 HB2 ASN A 73 -4.314 -25.118 -1.819 1.00 25.00 H new ATOM 0 HB3 ASN A 73 -3.627 -25.984 -3.179 1.00 25.00 H new ATOM 0 HD21 ASN A 73 -3.640 -27.758 0.495 1.00 50.00 H new ATOM 0 HD22 ASN A 73 -4.436 -26.213 0.179 1.00 50.00 H new ATOM 1098 N ARG A 74 -1.705 -22.389 -2.417 1.00 25.00 N ATOM 1099 CA ARG A 74 -2.052 -20.972 -2.718 1.00 25.00 C ATOM 1100 C ARG A 74 -2.831 -20.922 -4.027 1.00 25.00 C ATOM 1101 O ARG A 74 -3.677 -20.074 -4.230 1.00 25.00 O ATOM 1102 CB ARG A 74 -0.769 -20.147 -2.850 1.00 25.00 C ATOM 1103 CG ARG A 74 -0.018 -20.155 -1.518 1.00 25.00 C ATOM 1104 CD ARG A 74 1.213 -19.251 -1.620 1.00 25.00 C ATOM 1105 NE ARG A 74 1.973 -19.301 -0.339 1.00 25.00 N ATOM 1106 CZ ARG A 74 3.217 -18.907 -0.302 1.00 50.00 C ATOM 1107 NH1 ARG A 74 3.663 -18.068 -1.198 1.00 50.00 N ATOM 1108 NH2 ARG A 74 4.015 -19.351 0.630 1.00 50.00 N ATOM 0 H ARG A 74 -0.723 -22.558 -2.199 1.00 25.00 H new ATOM 0 HA ARG A 74 -2.659 -20.560 -1.912 1.00 25.00 H new ATOM 0 HB2 ARG A 74 -0.138 -20.559 -3.638 1.00 25.00 H new ATOM 0 HB3 ARG A 74 -1.010 -19.124 -3.138 1.00 25.00 H new ATOM 0 HG2 ARG A 74 -0.672 -19.808 -0.718 1.00 25.00 H new ATOM 0 HG3 ARG A 74 0.284 -21.171 -1.265 1.00 25.00 H new ATOM 0 HD2 ARG A 74 1.848 -19.575 -2.445 1.00 25.00 H new ATOM 0 HD3 ARG A 74 0.909 -18.227 -1.835 1.00 25.00 H new ATOM 0 HE ARG A 74 1.521 -19.643 0.509 1.00 25.00 H new ATOM 0 HH11 ARG A 74 3.039 -17.721 -1.927 1.00 50.00 H new ATOM 0 HH12 ARG A 74 4.635 -17.760 -1.169 1.00 50.00 H new ATOM 0 HH21 ARG A 74 3.667 -20.006 1.330 1.00 50.00 H new ATOM 0 HH22 ARG A 74 4.987 -19.043 0.659 1.00 50.00 H new ATOM 1122 N GLY A 75 -2.554 -21.831 -4.917 1.00 25.00 N ATOM 1123 CA GLY A 75 -3.276 -21.849 -6.216 1.00 25.00 C ATOM 1124 C GLY A 75 -4.754 -22.155 -5.966 1.00 25.00 C ATOM 1125 O GLY A 75 -5.622 -21.711 -6.689 1.00 25.00 O ATOM 0 H GLY A 75 -1.856 -22.565 -4.800 1.00 25.00 H new ATOM 0 HA2 GLY A 75 -3.171 -20.887 -6.717 1.00 25.00 H new ATOM 0 HA3 GLY A 75 -2.843 -22.601 -6.876 1.00 25.00 H new ATOM 1129 N LEU A 76 -5.043 -22.914 -4.944 1.00 25.00 N ATOM 1130 CA LEU A 76 -6.462 -23.251 -4.644 1.00 25.00 C ATOM 1131 C LEU A 76 -7.209 -21.985 -4.223 1.00 25.00 C ATOM 1132 O LEU A 76 -8.326 -21.743 -4.639 1.00 25.00 O ATOM 1133 CB LEU A 76 -6.516 -24.272 -3.506 1.00 25.00 C ATOM 1134 CG LEU A 76 -6.051 -25.636 -4.021 1.00 25.00 C ATOM 1135 CD1 LEU A 76 -6.057 -26.644 -2.869 1.00 50.00 C ATOM 1136 CD2 LEU A 76 -7.000 -26.116 -5.121 1.00 50.00 C ATOM 0 H LEU A 76 -4.357 -23.315 -4.304 1.00 25.00 H new ATOM 0 HA LEU A 76 -6.929 -23.672 -5.534 1.00 25.00 H new ATOM 0 HB2 LEU A 76 -5.881 -23.947 -2.681 1.00 25.00 H new ATOM 0 HB3 LEU A 76 -7.532 -24.345 -3.117 1.00 25.00 H new ATOM 0 HG LEU A 76 -5.042 -25.548 -4.424 1.00 25.00 H new ATOM 0 HD11 LEU A 76 -5.726 -27.616 -3.234 1.00 50.00 H new ATOM 0 HD12 LEU A 76 -5.383 -26.303 -2.083 1.00 50.00 H new ATOM 0 HD13 LEU A 76 -7.067 -26.732 -2.468 1.00 50.00 H new ATOM 0 HD21 LEU A 76 -6.669 -27.088 -5.488 1.00 50.00 H new ATOM 0 HD22 LEU A 76 -8.009 -26.205 -4.718 1.00 50.00 H new ATOM 0 HD23 LEU A 76 -6.999 -25.398 -5.941 1.00 50.00 H new ATOM 1148 N LEU A 77 -6.605 -21.183 -3.396 1.00 25.00 N ATOM 1149 CA LEU A 77 -7.279 -19.936 -2.935 1.00 25.00 C ATOM 1150 C LEU A 77 -7.384 -18.943 -4.094 1.00 25.00 C ATOM 1151 O LEU A 77 -8.265 -18.107 -4.125 1.00 25.00 O ATOM 1152 CB LEU A 77 -6.474 -19.307 -1.795 1.00 25.00 C ATOM 1153 CG LEU A 77 -5.944 -20.406 -0.870 1.00 25.00 C ATOM 1154 CD1 LEU A 77 -5.441 -19.776 0.431 1.00 50.00 C ATOM 1155 CD2 LEU A 77 -7.066 -21.398 -0.552 1.00 50.00 C ATOM 0 H LEU A 77 -5.671 -21.336 -3.017 1.00 25.00 H new ATOM 0 HA LEU A 77 -8.280 -20.182 -2.580 1.00 25.00 H new ATOM 0 HB2 LEU A 77 -5.644 -18.727 -2.200 1.00 25.00 H new ATOM 0 HB3 LEU A 77 -7.101 -18.616 -1.232 1.00 25.00 H new ATOM 0 HG LEU A 77 -5.126 -20.931 -1.364 1.00 25.00 H new ATOM 0 HD11 LEU A 77 -5.063 -20.557 1.091 1.00 50.00 H new ATOM 0 HD12 LEU A 77 -4.640 -19.071 0.208 1.00 50.00 H new ATOM 0 HD13 LEU A 77 -6.261 -19.251 0.922 1.00 50.00 H new ATOM 0 HD21 LEU A 77 -6.685 -22.179 0.106 1.00 50.00 H new ATOM 0 HD22 LEU A 77 -7.885 -20.875 -0.059 1.00 50.00 H new ATOM 0 HD23 LEU A 77 -7.427 -21.848 -1.477 1.00 50.00 H new ATOM 1167 N LYS A 78 -6.499 -19.023 -5.050 1.00 25.00 N ATOM 1168 CA LYS A 78 -6.565 -18.078 -6.200 1.00 25.00 C ATOM 1169 C LYS A 78 -7.639 -18.552 -7.180 1.00 25.00 C ATOM 1170 O LYS A 78 -8.193 -17.776 -7.933 1.00 25.00 O ATOM 1171 CB LYS A 78 -5.208 -18.035 -6.908 1.00 25.00 C ATOM 1172 CG LYS A 78 -4.170 -17.392 -5.987 1.00 25.00 C ATOM 1173 CD LYS A 78 -2.928 -17.019 -6.798 1.00 50.00 C ATOM 1174 CE LYS A 78 -2.225 -18.294 -7.270 1.00 50.00 C ATOM 1175 NZ LYS A 78 -0.790 -17.997 -7.548 1.00 50.00 N ATOM 0 H LYS A 78 -5.736 -19.699 -5.084 1.00 25.00 H new ATOM 0 HA LYS A 78 -6.814 -17.080 -5.839 1.00 25.00 H new ATOM 0 HB2 LYS A 78 -4.895 -19.044 -7.178 1.00 25.00 H new ATOM 0 HB3 LYS A 78 -5.288 -17.467 -7.835 1.00 25.00 H new ATOM 0 HG2 LYS A 78 -4.589 -16.504 -5.514 1.00 25.00 H new ATOM 0 HG3 LYS A 78 -3.901 -18.082 -5.187 1.00 25.00 H new ATOM 0 HD2 LYS A 78 -3.210 -16.408 -7.655 1.00 50.00 H new ATOM 0 HD3 LYS A 78 -2.250 -16.421 -6.190 1.00 50.00 H new ATOM 0 HE2 LYS A 78 -2.306 -19.070 -6.509 1.00 50.00 H new ATOM 0 HE3 LYS A 78 -2.709 -18.677 -8.168 1.00 50.00 H new ATOM 0 HZ1 LYS A 78 -0.312 -18.863 -7.869 1.00 50.00 H new ATOM 0 HZ2 LYS A 78 -0.723 -17.270 -8.289 1.00 50.00 H new ATOM 0 HZ3 LYS A 78 -0.333 -17.650 -6.681 1.00 50.00 H new ATOM 1189 N ASP A 79 -7.938 -19.821 -7.172 1.00 25.00 N ATOM 1190 CA ASP A 79 -8.974 -20.352 -8.097 1.00 25.00 C ATOM 1191 C ASP A 79 -10.332 -20.334 -7.399 1.00 25.00 C ATOM 1192 O ASP A 79 -11.327 -19.921 -7.960 1.00 25.00 O ATOM 1193 CB ASP A 79 -8.619 -21.788 -8.475 1.00 25.00 C ATOM 1194 CG ASP A 79 -7.628 -21.781 -9.640 1.00 25.00 C ATOM 1195 OD1 ASP A 79 -7.452 -20.731 -10.236 1.00 50.00 O ATOM 1196 OD2 ASP A 79 -7.061 -22.825 -9.917 1.00 50.00 O ATOM 0 H ASP A 79 -7.507 -20.515 -6.561 1.00 25.00 H new ATOM 0 HA ASP A 79 -9.017 -19.735 -8.995 1.00 25.00 H new ATOM 0 HB2 ASP A 79 -8.185 -22.304 -7.618 1.00 25.00 H new ATOM 0 HB3 ASP A 79 -9.520 -22.335 -8.754 1.00 25.00 H new ATOM 1201 N VAL A 80 -10.375 -20.773 -6.174 1.00 25.00 N ATOM 1202 CA VAL A 80 -11.664 -20.781 -5.430 1.00 25.00 C ATOM 1203 C VAL A 80 -12.178 -19.351 -5.310 1.00 25.00 C ATOM 1204 O VAL A 80 -13.342 -19.070 -5.513 1.00 25.00 O ATOM 1205 CB VAL A 80 -11.436 -21.364 -4.032 1.00 50.00 C ATOM 1206 CG1 VAL A 80 -10.768 -20.322 -3.129 1.00 50.00 C ATOM 1207 CG2 VAL A 80 -12.780 -21.775 -3.429 1.00 50.00 C ATOM 0 H VAL A 80 -9.572 -21.127 -5.654 1.00 25.00 H new ATOM 0 HA VAL A 80 -12.396 -21.389 -5.961 1.00 25.00 H new ATOM 0 HB VAL A 80 -10.785 -22.235 -4.110 1.00 50.00 H new ATOM 0 HG11 VAL A 80 -10.611 -20.747 -2.138 1.00 50.00 H new ATOM 0 HG12 VAL A 80 -9.808 -20.032 -3.556 1.00 50.00 H new ATOM 0 HG13 VAL A 80 -11.410 -19.444 -3.050 1.00 50.00 H new ATOM 0 HG21 VAL A 80 -12.621 -22.190 -2.434 1.00 50.00 H new ATOM 0 HG22 VAL A 80 -13.429 -20.902 -3.358 1.00 50.00 H new ATOM 0 HG23 VAL A 80 -13.250 -22.526 -4.065 1.00 50.00 H new ATOM 1217 N ALA A 81 -11.305 -18.448 -4.978 1.00 25.00 N ATOM 1218 CA ALA A 81 -11.716 -17.025 -4.837 1.00 25.00 C ATOM 1219 C ALA A 81 -12.466 -16.583 -6.093 1.00 25.00 C ATOM 1220 O ALA A 81 -13.443 -15.862 -6.024 1.00 25.00 O ATOM 1221 CB ALA A 81 -10.474 -16.151 -4.654 1.00 50.00 C ATOM 0 H ALA A 81 -10.318 -18.633 -4.797 1.00 25.00 H new ATOM 0 HA ALA A 81 -12.367 -16.921 -3.969 1.00 25.00 H new ATOM 0 HB1 ALA A 81 -10.775 -15.108 -4.551 1.00 50.00 H new ATOM 0 HB2 ALA A 81 -9.937 -16.464 -3.758 1.00 50.00 H new ATOM 0 HB3 ALA A 81 -9.824 -16.257 -5.522 1.00 50.00 H new ATOM 1227 N LYS A 82 -12.015 -17.005 -7.239 1.00 25.00 N ATOM 1228 CA LYS A 82 -12.695 -16.606 -8.503 1.00 25.00 C ATOM 1229 C LYS A 82 -14.149 -17.082 -8.479 1.00 25.00 C ATOM 1230 O LYS A 82 -15.024 -16.465 -9.052 1.00 25.00 O ATOM 1231 CB LYS A 82 -11.972 -17.242 -9.692 1.00 25.00 C ATOM 1232 CG LYS A 82 -10.558 -16.669 -9.794 1.00 25.00 C ATOM 1233 CD LYS A 82 -9.908 -17.141 -11.097 1.00 25.00 C ATOM 1234 CE LYS A 82 -8.445 -16.694 -11.127 1.00 50.00 C ATOM 1235 NZ LYS A 82 -7.708 -17.476 -12.159 1.00 50.00 N ATOM 0 H LYS A 82 -11.203 -17.611 -7.357 1.00 25.00 H new ATOM 0 HA LYS A 82 -12.672 -15.520 -8.598 1.00 25.00 H new ATOM 0 HB2 LYS A 82 -11.929 -18.324 -9.569 1.00 25.00 H new ATOM 0 HB3 LYS A 82 -12.522 -17.047 -10.613 1.00 25.00 H new ATOM 0 HG2 LYS A 82 -10.593 -15.580 -9.766 1.00 25.00 H new ATOM 0 HG3 LYS A 82 -9.961 -16.991 -8.940 1.00 25.00 H new ATOM 0 HD2 LYS A 82 -9.970 -18.226 -11.174 1.00 25.00 H new ATOM 0 HD3 LYS A 82 -10.443 -16.729 -11.953 1.00 25.00 H new ATOM 0 HE2 LYS A 82 -8.384 -15.629 -11.350 1.00 50.00 H new ATOM 0 HE3 LYS A 82 -7.988 -16.842 -10.148 1.00 50.00 H new ATOM 0 HZ1 LYS A 82 -6.713 -17.173 -12.180 1.00 50.00 H new ATOM 0 HZ2 LYS A 82 -7.756 -18.489 -11.927 1.00 50.00 H new ATOM 0 HZ3 LYS A 82 -8.139 -17.313 -13.091 1.00 50.00 H new ATOM 1249 N ILE A 83 -14.413 -18.174 -7.818 1.00 25.00 N ATOM 1250 CA ILE A 83 -15.811 -18.688 -7.760 1.00 25.00 C ATOM 1251 C ILE A 83 -16.716 -17.630 -7.129 1.00 25.00 C ATOM 1252 O ILE A 83 -17.879 -17.512 -7.462 1.00 25.00 O ATOM 1253 CB ILE A 83 -15.851 -19.963 -6.917 1.00 50.00 C ATOM 1254 CG1 ILE A 83 -15.058 -21.066 -7.622 1.00 50.00 C ATOM 1255 CG2 ILE A 83 -17.302 -20.411 -6.740 1.00 50.00 C ATOM 1256 CD1 ILE A 83 -15.184 -22.370 -6.832 1.00 50.00 C ATOM 0 H ILE A 83 -13.723 -18.733 -7.316 1.00 25.00 H new ATOM 0 HA ILE A 83 -16.160 -18.909 -8.769 1.00 25.00 H new ATOM 0 HB ILE A 83 -15.410 -19.767 -5.940 1.00 50.00 H new ATOM 0 HG12 ILE A 83 -15.432 -21.205 -8.636 1.00 50.00 H new ATOM 0 HG13 ILE A 83 -14.010 -20.779 -7.705 1.00 50.00 H new ATOM 0 HG21 ILE A 83 -17.331 -21.320 -6.139 1.00 50.00 H new ATOM 0 HG22 ILE A 83 -17.867 -19.626 -6.238 1.00 50.00 H new ATOM 0 HG23 ILE A 83 -17.744 -20.607 -7.717 1.00 50.00 H new ATOM 0 HD11 ILE A 83 -14.619 -23.156 -7.334 1.00 50.00 H new ATOM 0 HD12 ILE A 83 -14.789 -22.226 -5.826 1.00 50.00 H new ATOM 0 HD13 ILE A 83 -16.233 -22.659 -6.772 1.00 50.00 H new ATOM 1268 N PHE A 84 -16.192 -16.859 -6.218 1.00 25.00 N ATOM 1269 CA PHE A 84 -17.019 -15.808 -5.561 1.00 25.00 C ATOM 1270 C PHE A 84 -16.636 -14.436 -6.119 1.00 25.00 C ATOM 1271 O PHE A 84 -15.903 -14.397 -7.093 1.00 25.00 O ATOM 1272 CB PHE A 84 -16.772 -15.833 -4.052 1.00 50.00 C ATOM 1273 CG PHE A 84 -17.237 -17.155 -3.489 1.00 50.00 C ATOM 1274 CD1 PHE A 84 -16.581 -18.338 -3.846 1.00 50.00 C ATOM 1275 CD2 PHE A 84 -18.327 -17.196 -2.610 1.00 50.00 C ATOM 1276 CE1 PHE A 84 -17.013 -19.563 -3.326 1.00 50.00 C ATOM 1277 CE2 PHE A 84 -18.759 -18.422 -2.090 1.00 50.00 C ATOM 1278 CZ PHE A 84 -18.102 -19.605 -2.447 1.00 50.00 C ATOM 1279 OXT PHE A 84 -17.081 -13.446 -5.560 1.00 99.99 O ATOM 0 H PHE A 84 -15.225 -16.911 -5.899 1.00 25.00 H new ATOM 0 HA PHE A 84 -18.074 -15.999 -5.759 1.00 25.00 H new ATOM 0 HB2 PHE A 84 -15.712 -15.689 -3.844 1.00 50.00 H new ATOM 0 HB3 PHE A 84 -17.305 -15.013 -3.571 1.00 50.00 H new ATOM 0 HD1 PHE A 84 -15.741 -18.306 -4.523 1.00 50.00 H new ATOM 0 HD2 PHE A 84 -18.833 -16.283 -2.334 1.00 50.00 H new ATOM 0 HE1 PHE A 84 -16.507 -20.476 -3.603 1.00 50.00 H new ATOM 0 HE2 PHE A 84 -19.600 -18.455 -1.413 1.00 50.00 H new ATOM 0 HZ PHE A 84 -18.435 -20.550 -2.044 1.00 50.00 H new