USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 648 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 57 LYS NZ :NH3+ 152:sc= 1.08 (180deg=0) USER MOD Set 1.2: A 93 GLN : amide:sc= 0.916 K(o=2,f=-5.2!) USER MOD Set 2.1: A 30 THR OG1 : rot 180:sc= 0.00204 USER MOD Set 2.2: A 32 SER OG : rot 9:sc= 1.11 USER MOD Set 2.3: A 67 ASN : amide:sc= -1.88! C(o=-0.77!,f=-2.8!) USER MOD Set 3.1: A 52 THR OG1 : rot 180:sc= -0.208 USER MOD Set 3.2: A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -0.973 K(o=-0.97,f=0.72) USER MOD Single : A 11 LYS NZ :NH3+ 176:sc= 0.156! (180deg=0.105!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0113 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 177:sc= 1.66 (180deg=1.65) USER MOD Single : A 29 THR OG1 : rot 67:sc= 0.953 USER MOD Single : A 35 LYS NZ :NH3+ 166:sc= 0.867 (180deg=0.56) USER MOD Single : A 37 THR OG1 : rot 72:sc= 1.04 USER MOD Single : A 40 SER OG : rot 104:sc= 1.23 USER MOD Single : A 46 LYS NZ :NH3+ -163:sc= -0.111 (180deg=-0.411) USER MOD Single : A 48 ASN : amide:sc= -0.286 K(o=-0.29,f=-0.84) USER MOD Single : A 51 LYS NZ :NH3+ -142:sc= 1.18 (180deg=0.249) USER MOD Single : A 60 SER OG : rot 32:sc= 0.271 USER MOD Single : A 63 LYS NZ :NH3+ -170:sc= -0.037 (180deg=-0.132) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 166:sc= 1.29 (180deg=1.22) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot -119:sc= 1.23 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 MET CE :methyl -172:sc= 0 (180deg=-0.187) USER MOD Single : A 89 HIS : no HD1:sc=-0.00247 X(o=-0.0025,f=-0.01) USER MOD ----------------------------------------------------------------- ATOM 89 N GLN A 7 12.712 -4.685 0.199 1.00 0.00 N ATOM 90 CA GLN A 7 13.290 -4.355 1.454 1.00 0.00 C ATOM 91 C GLN A 7 13.908 -5.648 1.982 1.00 0.00 C ATOM 92 O GLN A 7 13.934 -6.652 1.264 1.00 0.00 O ATOM 93 CB GLN A 7 12.228 -3.860 2.472 1.00 0.00 C ATOM 94 CG GLN A 7 11.365 -2.660 2.057 1.00 0.00 C ATOM 95 CD GLN A 7 10.163 -3.012 1.171 1.00 0.00 C ATOM 96 OE1 GLN A 7 10.172 -3.970 0.402 1.00 0.00 O ATOM 97 NE2 GLN A 7 9.117 -2.235 1.295 1.00 0.00 N ATOM 0 HA GLN A 7 14.016 -3.551 1.329 1.00 0.00 H new ATOM 0 HB2 GLN A 7 11.562 -4.693 2.698 1.00 0.00 H new ATOM 0 HB3 GLN A 7 12.742 -3.603 3.398 1.00 0.00 H new ATOM 0 HG2 GLN A 7 11.003 -2.162 2.956 1.00 0.00 H new ATOM 0 HG3 GLN A 7 11.993 -1.944 1.527 1.00 0.00 H new ATOM 0 HE21 GLN A 7 9.141 -1.447 1.942 1.00 0.00 H new ATOM 0 HE22 GLN A 7 8.278 -2.417 0.744 1.00 0.00 H new ATOM 106 N LEU A 8 14.359 -5.658 3.201 1.00 0.00 N ATOM 107 CA LEU A 8 14.953 -6.858 3.738 1.00 0.00 C ATOM 108 C LEU A 8 13.908 -7.646 4.482 1.00 0.00 C ATOM 109 O LEU A 8 13.196 -7.107 5.301 1.00 0.00 O ATOM 110 CB LEU A 8 16.124 -6.559 4.688 1.00 0.00 C ATOM 111 CG LEU A 8 17.381 -5.853 4.119 1.00 0.00 C ATOM 112 CD1 LEU A 8 17.092 -4.433 3.656 1.00 0.00 C ATOM 113 CD2 LEU A 8 18.498 -5.858 5.147 1.00 0.00 C ATOM 0 H LEU A 8 14.331 -4.863 3.840 1.00 0.00 H new ATOM 0 HA LEU A 8 15.344 -7.430 2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 8 15.740 -5.945 5.503 1.00 0.00 H new ATOM 0 HB3 LEU A 8 16.445 -7.505 5.125 1.00 0.00 H new ATOM 0 HG LEU A 8 17.696 -6.416 3.241 1.00 0.00 H new ATOM 0 HD11 LEU A 8 18.006 -3.984 3.267 1.00 0.00 H new ATOM 0 HD12 LEU A 8 16.335 -4.453 2.872 1.00 0.00 H new ATOM 0 HD13 LEU A 8 16.728 -3.843 4.497 1.00 0.00 H new ATOM 0 HD21 LEU A 8 19.375 -5.359 4.734 1.00 0.00 H new ATOM 0 HD22 LEU A 8 18.170 -5.332 6.044 1.00 0.00 H new ATOM 0 HD23 LEU A 8 18.753 -6.887 5.403 1.00 0.00 H new ATOM 125 N GLU A 9 13.811 -8.905 4.210 1.00 0.00 N ATOM 126 CA GLU A 9 12.849 -9.703 4.894 1.00 0.00 C ATOM 127 C GLU A 9 13.472 -10.300 6.104 1.00 0.00 C ATOM 128 O GLU A 9 14.495 -10.963 6.020 1.00 0.00 O ATOM 129 CB GLU A 9 12.285 -10.810 4.040 1.00 0.00 C ATOM 130 CG GLU A 9 11.615 -10.361 2.763 1.00 0.00 C ATOM 131 CD GLU A 9 10.993 -11.518 2.024 1.00 0.00 C ATOM 132 OE1 GLU A 9 9.823 -11.837 2.295 1.00 0.00 O ATOM 133 OE2 GLU A 9 11.659 -12.134 1.176 1.00 0.00 O ATOM 0 H GLU A 9 14.381 -9.400 3.524 1.00 0.00 H new ATOM 0 HA GLU A 9 12.023 -9.043 5.160 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.092 -11.497 3.786 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.562 -11.372 4.632 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.848 -9.622 2.995 1.00 0.00 H new ATOM 0 HG3 GLU A 9 12.347 -9.870 2.121 1.00 0.00 H new ATOM 140 N ILE A 10 12.875 -10.074 7.207 1.00 0.00 N ATOM 141 CA ILE A 10 13.372 -10.601 8.435 1.00 0.00 C ATOM 142 C ILE A 10 12.491 -11.706 8.906 1.00 0.00 C ATOM 143 O ILE A 10 11.263 -11.555 9.008 1.00 0.00 O ATOM 144 CB ILE A 10 13.503 -9.525 9.546 1.00 0.00 C ATOM 145 CG1 ILE A 10 14.517 -8.439 9.139 1.00 0.00 C ATOM 146 CG2 ILE A 10 13.873 -10.159 10.887 1.00 0.00 C ATOM 147 CD1 ILE A 10 14.680 -7.318 10.150 1.00 0.00 C ATOM 0 H ILE A 10 12.025 -9.518 7.296 1.00 0.00 H new ATOM 0 HA ILE A 10 14.375 -10.977 8.235 1.00 0.00 H new ATOM 0 HB ILE A 10 12.532 -9.045 9.668 1.00 0.00 H new ATOM 0 HG12 ILE A 10 15.487 -8.908 8.977 1.00 0.00 H new ATOM 0 HG13 ILE A 10 14.207 -8.010 8.186 1.00 0.00 H new ATOM 0 HG21 ILE A 10 13.958 -9.381 11.646 1.00 0.00 H new ATOM 0 HG22 ILE A 10 13.099 -10.869 11.180 1.00 0.00 H new ATOM 0 HG23 ILE A 10 14.826 -10.680 10.793 1.00 0.00 H new ATOM 0 HD11 ILE A 10 15.412 -6.599 9.782 1.00 0.00 H new ATOM 0 HD12 ILE A 10 13.723 -6.818 10.296 1.00 0.00 H new ATOM 0 HD13 ILE A 10 15.022 -7.731 11.099 1.00 0.00 H new ATOM 159 N LYS A 11 13.096 -12.805 9.146 1.00 0.00 N ATOM 160 CA LYS A 11 12.426 -13.933 9.704 1.00 0.00 C ATOM 161 C LYS A 11 13.096 -14.285 11.009 1.00 0.00 C ATOM 162 O LYS A 11 14.336 -14.288 11.102 1.00 0.00 O ATOM 163 CB LYS A 11 12.380 -15.123 8.720 1.00 0.00 C ATOM 164 CG LYS A 11 13.725 -15.713 8.298 1.00 0.00 C ATOM 165 CD LYS A 11 13.564 -16.649 7.087 1.00 0.00 C ATOM 166 CE LYS A 11 12.552 -17.767 7.313 1.00 0.00 C ATOM 167 NZ LYS A 11 12.955 -18.697 8.365 1.00 0.00 N ATOM 0 H LYS A 11 14.087 -12.958 8.960 1.00 0.00 H new ATOM 0 HA LYS A 11 11.383 -13.682 9.897 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.786 -15.917 9.173 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.852 -14.803 7.822 1.00 0.00 H new ATOM 0 HG2 LYS A 11 14.417 -14.908 8.050 1.00 0.00 H new ATOM 0 HG3 LYS A 11 14.162 -16.263 9.131 1.00 0.00 H new ATOM 0 HD2 LYS A 11 13.257 -16.061 6.222 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.532 -17.089 6.847 1.00 0.00 H new ATOM 0 HE2 LYS A 11 11.588 -17.330 7.572 1.00 0.00 H new ATOM 0 HE3 LYS A 11 12.413 -18.317 6.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.199 -19.394 8.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 13.826 -19.188 8.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 13.127 -18.171 9.246 1.00 0.00 H new ATOM 181 N PHE A 12 12.311 -14.553 12.003 1.00 0.00 N ATOM 182 CA PHE A 12 12.831 -14.814 13.323 1.00 0.00 C ATOM 183 C PHE A 12 13.020 -16.291 13.503 1.00 0.00 C ATOM 184 O PHE A 12 12.085 -17.052 13.345 1.00 0.00 O ATOM 185 CB PHE A 12 11.864 -14.282 14.388 1.00 0.00 C ATOM 186 CG PHE A 12 11.596 -12.802 14.293 1.00 0.00 C ATOM 187 CD1 PHE A 12 12.485 -11.896 14.836 1.00 0.00 C ATOM 188 CD2 PHE A 12 10.454 -12.322 13.662 1.00 0.00 C ATOM 189 CE1 PHE A 12 12.251 -10.541 14.756 1.00 0.00 C ATOM 190 CE2 PHE A 12 10.213 -10.963 13.580 1.00 0.00 C ATOM 191 CZ PHE A 12 11.115 -10.070 14.129 1.00 0.00 C ATOM 0 H PHE A 12 11.295 -14.599 11.932 1.00 0.00 H new ATOM 0 HA PHE A 12 13.790 -14.308 13.435 1.00 0.00 H new ATOM 0 HB2 PHE A 12 10.918 -14.817 14.304 1.00 0.00 H new ATOM 0 HB3 PHE A 12 12.270 -14.504 15.375 1.00 0.00 H new ATOM 0 HD1 PHE A 12 13.376 -12.255 15.330 1.00 0.00 H new ATOM 0 HD2 PHE A 12 9.748 -13.017 13.232 1.00 0.00 H new ATOM 0 HE1 PHE A 12 12.958 -9.846 15.185 1.00 0.00 H new ATOM 0 HE2 PHE A 12 9.323 -10.600 13.088 1.00 0.00 H new ATOM 0 HZ PHE A 12 10.931 -9.008 14.067 1.00 0.00 H new ATOM 201 N ARG A 13 14.218 -16.703 13.804 1.00 0.00 N ATOM 202 CA ARG A 13 14.492 -18.097 13.983 1.00 0.00 C ATOM 203 C ARG A 13 14.992 -18.366 15.385 1.00 0.00 C ATOM 204 O ARG A 13 15.928 -17.721 15.869 1.00 0.00 O ATOM 205 CB ARG A 13 15.462 -18.602 12.919 1.00 0.00 C ATOM 206 CG ARG A 13 15.760 -20.087 12.998 1.00 0.00 C ATOM 207 CD ARG A 13 16.611 -20.526 11.830 1.00 0.00 C ATOM 208 NE ARG A 13 16.934 -21.951 11.883 1.00 0.00 N ATOM 209 CZ ARG A 13 16.771 -22.807 10.859 1.00 0.00 C ATOM 210 NH1 ARG A 13 16.204 -22.399 9.721 1.00 0.00 N ATOM 211 NH2 ARG A 13 17.169 -24.067 10.976 1.00 0.00 N ATOM 0 H ARG A 13 15.023 -16.089 13.931 1.00 0.00 H new ATOM 0 HA ARG A 13 13.563 -18.654 13.858 1.00 0.00 H new ATOM 0 HB2 ARG A 13 15.051 -18.378 11.934 1.00 0.00 H new ATOM 0 HB3 ARG A 13 16.398 -18.051 13.007 1.00 0.00 H new ATOM 0 HG2 ARG A 13 16.274 -20.310 13.933 1.00 0.00 H new ATOM 0 HG3 ARG A 13 14.827 -20.650 13.006 1.00 0.00 H new ATOM 0 HD2 ARG A 13 16.086 -20.309 10.899 1.00 0.00 H new ATOM 0 HD3 ARG A 13 17.534 -19.947 11.818 1.00 0.00 H new ATOM 0 HE ARG A 13 17.309 -22.321 12.757 1.00 0.00 H new ATOM 0 HH11 ARG A 13 15.892 -21.433 9.625 1.00 0.00 H new ATOM 0 HH12 ARG A 13 16.083 -23.054 8.948 1.00 0.00 H new ATOM 0 HH21 ARG A 13 17.599 -24.387 11.844 1.00 0.00 H new ATOM 0 HH22 ARG A 13 17.045 -24.715 10.198 1.00 0.00 H new ATOM 225 N LEU A 14 14.356 -19.308 16.022 1.00 0.00 N ATOM 226 CA LEU A 14 14.635 -19.673 17.384 1.00 0.00 C ATOM 227 C LEU A 14 15.822 -20.608 17.458 1.00 0.00 C ATOM 228 O LEU A 14 16.253 -21.166 16.440 1.00 0.00 O ATOM 229 CB LEU A 14 13.412 -20.376 17.973 1.00 0.00 C ATOM 230 CG LEU A 14 12.101 -19.594 17.942 1.00 0.00 C ATOM 231 CD1 LEU A 14 10.989 -20.394 18.589 1.00 0.00 C ATOM 232 CD2 LEU A 14 12.266 -18.256 18.625 1.00 0.00 C ATOM 0 H LEU A 14 13.609 -19.858 15.598 1.00 0.00 H new ATOM 0 HA LEU A 14 14.865 -18.769 17.947 1.00 0.00 H new ATOM 0 HB2 LEU A 14 13.264 -21.313 17.436 1.00 0.00 H new ATOM 0 HB3 LEU A 14 13.632 -20.634 19.009 1.00 0.00 H new ATOM 0 HG LEU A 14 11.830 -19.415 16.901 1.00 0.00 H new ATOM 0 HD11 LEU A 14 10.063 -19.821 18.558 1.00 0.00 H new ATOM 0 HD12 LEU A 14 10.854 -21.332 18.050 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.249 -20.606 19.626 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.322 -17.712 18.593 1.00 0.00 H new ATOM 0 HD22 LEU A 14 12.561 -18.411 19.663 1.00 0.00 H new ATOM 0 HD23 LEU A 14 13.035 -17.678 18.112 1.00 0.00 H new ATOM 244 N THR A 15 16.316 -20.815 18.660 1.00 0.00 N ATOM 245 CA THR A 15 17.439 -21.702 18.909 1.00 0.00 C ATOM 246 C THR A 15 17.068 -23.166 18.643 1.00 0.00 C ATOM 247 O THR A 15 17.925 -24.022 18.456 1.00 0.00 O ATOM 248 CB THR A 15 17.931 -21.535 20.352 1.00 0.00 C ATOM 249 OG1 THR A 15 16.809 -21.628 21.256 1.00 0.00 O ATOM 250 CG2 THR A 15 18.632 -20.201 20.538 1.00 0.00 C ATOM 0 H THR A 15 15.948 -20.370 19.501 1.00 0.00 H new ATOM 0 HA THR A 15 18.240 -21.431 18.221 1.00 0.00 H new ATOM 0 HB THR A 15 18.647 -22.328 20.568 1.00 0.00 H new ATOM 0 HG1 THR A 15 17.123 -21.523 22.179 1.00 0.00 H new ATOM 0 HG21 THR A 15 18.971 -20.109 21.570 1.00 0.00 H new ATOM 0 HG22 THR A 15 19.490 -20.144 19.868 1.00 0.00 H new ATOM 0 HG23 THR A 15 17.939 -19.391 20.310 1.00 0.00 H new ATOM 258 N ASP A 16 15.779 -23.434 18.619 1.00 0.00 N ATOM 259 CA ASP A 16 15.268 -24.775 18.338 1.00 0.00 C ATOM 260 C ASP A 16 15.208 -25.030 16.841 1.00 0.00 C ATOM 261 O ASP A 16 14.922 -26.145 16.396 1.00 0.00 O ATOM 262 CB ASP A 16 13.878 -24.976 18.941 1.00 0.00 C ATOM 263 CG ASP A 16 13.852 -24.833 20.435 1.00 0.00 C ATOM 264 OD1 ASP A 16 14.285 -25.753 21.140 1.00 0.00 O ATOM 265 OD2 ASP A 16 13.392 -23.793 20.932 1.00 0.00 O ATOM 0 H ASP A 16 15.053 -22.738 18.792 1.00 0.00 H new ATOM 0 HA ASP A 16 15.957 -25.485 18.796 1.00 0.00 H new ATOM 0 HB2 ASP A 16 13.191 -24.253 18.502 1.00 0.00 H new ATOM 0 HB3 ASP A 16 13.513 -25.967 18.671 1.00 0.00 H new ATOM 270 N GLY A 17 15.465 -23.994 16.068 1.00 0.00 N ATOM 271 CA GLY A 17 15.433 -24.109 14.624 1.00 0.00 C ATOM 272 C GLY A 17 14.067 -23.810 14.065 1.00 0.00 C ATOM 273 O GLY A 17 13.841 -23.912 12.866 1.00 0.00 O ATOM 0 H GLY A 17 15.698 -23.064 16.415 1.00 0.00 H new ATOM 0 HA2 GLY A 17 16.161 -23.424 14.189 1.00 0.00 H new ATOM 0 HA3 GLY A 17 15.731 -25.116 14.334 1.00 0.00 H new ATOM 277 N SER A 18 13.168 -23.438 14.935 1.00 0.00 N ATOM 278 CA SER A 18 11.831 -23.070 14.559 1.00 0.00 C ATOM 279 C SER A 18 11.846 -21.613 14.126 1.00 0.00 C ATOM 280 O SER A 18 12.479 -20.785 14.780 1.00 0.00 O ATOM 281 CB SER A 18 10.935 -23.248 15.771 1.00 0.00 C ATOM 282 OG SER A 18 11.044 -24.576 16.274 1.00 0.00 O ATOM 0 H SER A 18 13.346 -23.381 15.938 1.00 0.00 H new ATOM 0 HA SER A 18 11.461 -23.688 13.740 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.214 -22.534 16.546 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.900 -23.038 15.501 1.00 0.00 H new ATOM 0 HG SER A 18 10.463 -24.678 17.057 1.00 0.00 H new ATOM 288 N ASP A 19 11.202 -21.300 13.042 1.00 0.00 N ATOM 289 CA ASP A 19 11.220 -19.960 12.541 1.00 0.00 C ATOM 290 C ASP A 19 9.830 -19.387 12.417 1.00 0.00 C ATOM 291 O ASP A 19 8.843 -20.112 12.334 1.00 0.00 O ATOM 292 CB ASP A 19 11.916 -19.899 11.185 1.00 0.00 C ATOM 293 CG ASP A 19 11.198 -20.667 10.102 1.00 0.00 C ATOM 294 OD1 ASP A 19 11.100 -21.899 10.186 1.00 0.00 O ATOM 295 OD2 ASP A 19 10.774 -20.042 9.128 1.00 0.00 O ATOM 0 H ASP A 19 10.656 -21.958 12.486 1.00 0.00 H new ATOM 0 HA ASP A 19 11.775 -19.360 13.262 1.00 0.00 H new ATOM 0 HB2 ASP A 19 12.008 -18.857 10.880 1.00 0.00 H new ATOM 0 HB3 ASP A 19 12.928 -20.291 11.287 1.00 0.00 H new ATOM 300 N ILE A 20 9.773 -18.091 12.426 1.00 0.00 N ATOM 301 CA ILE A 20 8.559 -17.345 12.247 1.00 0.00 C ATOM 302 C ILE A 20 8.601 -16.743 10.850 1.00 0.00 C ATOM 303 O ILE A 20 9.681 -16.319 10.393 1.00 0.00 O ATOM 304 CB ILE A 20 8.446 -16.200 13.309 1.00 0.00 C ATOM 305 CG1 ILE A 20 8.479 -16.787 14.734 1.00 0.00 C ATOM 306 CG2 ILE A 20 7.176 -15.371 13.095 1.00 0.00 C ATOM 307 CD1 ILE A 20 8.398 -15.750 15.843 1.00 0.00 C ATOM 0 H ILE A 20 10.594 -17.502 12.562 1.00 0.00 H new ATOM 0 HA ILE A 20 7.696 -17.999 12.371 1.00 0.00 H new ATOM 0 HB ILE A 20 9.302 -15.536 13.185 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.650 -17.486 14.845 1.00 0.00 H new ATOM 0 HG13 ILE A 20 9.398 -17.361 14.856 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.124 -14.584 13.847 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.197 -14.923 12.101 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.301 -16.016 13.184 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.428 -16.250 16.811 1.00 0.00 H new ATOM 0 HD12 ILE A 20 9.242 -15.065 15.762 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.467 -15.191 15.751 1.00 0.00 H new ATOM 319 N GLY A 21 7.453 -16.740 10.177 1.00 0.00 N ATOM 320 CA GLY A 21 7.336 -16.235 8.815 1.00 0.00 C ATOM 321 C GLY A 21 7.950 -14.856 8.615 1.00 0.00 C ATOM 322 O GLY A 21 7.736 -13.949 9.437 1.00 0.00 O ATOM 0 H GLY A 21 6.576 -17.089 10.564 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.816 -16.938 8.134 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.282 -16.196 8.541 1.00 0.00 H new ATOM 326 N PRO A 22 8.738 -14.689 7.534 1.00 0.00 N ATOM 327 CA PRO A 22 9.423 -13.435 7.216 1.00 0.00 C ATOM 328 C PRO A 22 8.493 -12.305 6.804 1.00 0.00 C ATOM 329 O PRO A 22 7.458 -12.525 6.150 1.00 0.00 O ATOM 330 CB PRO A 22 10.331 -13.783 6.031 1.00 0.00 C ATOM 331 CG PRO A 22 9.786 -15.043 5.459 1.00 0.00 C ATOM 332 CD PRO A 22 9.029 -15.739 6.545 1.00 0.00 C ATOM 0 HA PRO A 22 9.945 -13.071 8.101 1.00 0.00 H new ATOM 0 HB2 PRO A 22 10.329 -12.984 5.289 1.00 0.00 H new ATOM 0 HB3 PRO A 22 11.363 -13.915 6.355 1.00 0.00 H new ATOM 0 HG2 PRO A 22 9.133 -14.829 4.613 1.00 0.00 H new ATOM 0 HG3 PRO A 22 10.592 -15.676 5.087 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.112 -16.187 6.163 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.618 -16.544 6.985 1.00 0.00 H new ATOM 340 N LYS A 23 8.871 -11.114 7.180 1.00 0.00 N ATOM 341 CA LYS A 23 8.178 -9.899 6.780 1.00 0.00 C ATOM 342 C LYS A 23 9.178 -8.988 6.155 1.00 0.00 C ATOM 343 O LYS A 23 10.370 -9.172 6.348 1.00 0.00 O ATOM 344 CB LYS A 23 7.505 -9.130 7.937 1.00 0.00 C ATOM 345 CG LYS A 23 6.305 -9.767 8.608 1.00 0.00 C ATOM 346 CD LYS A 23 6.655 -10.963 9.468 1.00 0.00 C ATOM 347 CE LYS A 23 5.421 -11.488 10.186 1.00 0.00 C ATOM 348 NZ LYS A 23 5.722 -12.677 11.006 1.00 0.00 N ATOM 0 H LYS A 23 9.678 -10.948 7.781 1.00 0.00 H new ATOM 0 HA LYS A 23 7.381 -10.206 6.102 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.260 -8.950 8.703 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.198 -8.156 7.557 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.805 -9.020 9.225 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.593 -10.076 7.843 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.084 -11.750 8.848 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.415 -10.683 10.198 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.011 -10.704 10.822 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.654 -11.738 9.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.866 -12.972 11.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.041 -13.452 10.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.471 -12.447 11.689 1.00 0.00 H new ATOM 362 N ALA A 24 8.716 -8.018 5.445 1.00 0.00 N ATOM 363 CA ALA A 24 9.605 -7.074 4.811 1.00 0.00 C ATOM 364 C ALA A 24 9.856 -5.898 5.737 1.00 0.00 C ATOM 365 O ALA A 24 8.913 -5.237 6.193 1.00 0.00 O ATOM 366 CB ALA A 24 9.028 -6.603 3.484 1.00 0.00 C ATOM 0 H ALA A 24 7.724 -7.847 5.281 1.00 0.00 H new ATOM 0 HA ALA A 24 10.556 -7.567 4.608 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.713 -5.892 3.021 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.892 -7.458 2.822 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.066 -6.121 3.656 1.00 0.00 H new ATOM 372 N PHE A 25 11.104 -5.659 6.026 1.00 0.00 N ATOM 373 CA PHE A 25 11.517 -4.570 6.871 1.00 0.00 C ATOM 374 C PHE A 25 12.589 -3.781 6.153 1.00 0.00 C ATOM 375 O PHE A 25 13.537 -4.355 5.626 1.00 0.00 O ATOM 376 CB PHE A 25 12.160 -5.080 8.175 1.00 0.00 C ATOM 377 CG PHE A 25 11.336 -5.992 9.035 1.00 0.00 C ATOM 378 CD1 PHE A 25 11.207 -7.316 8.706 1.00 0.00 C ATOM 379 CD2 PHE A 25 10.742 -5.536 10.198 1.00 0.00 C ATOM 380 CE1 PHE A 25 10.507 -8.181 9.504 1.00 0.00 C ATOM 381 CE2 PHE A 25 10.027 -6.404 11.003 1.00 0.00 C ATOM 382 CZ PHE A 25 9.919 -7.734 10.644 1.00 0.00 C ATOM 0 H PHE A 25 11.878 -6.224 5.676 1.00 0.00 H new ATOM 0 HA PHE A 25 10.633 -3.974 7.098 1.00 0.00 H new ATOM 0 HB2 PHE A 25 13.081 -5.601 7.916 1.00 0.00 H new ATOM 0 HB3 PHE A 25 12.442 -4.214 8.774 1.00 0.00 H new ATOM 0 HD1 PHE A 25 11.666 -7.684 7.800 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.837 -4.497 10.479 1.00 0.00 H new ATOM 0 HE1 PHE A 25 10.422 -9.221 9.226 1.00 0.00 H new ATOM 0 HE2 PHE A 25 9.556 -6.045 11.906 1.00 0.00 H new ATOM 0 HZ PHE A 25 9.367 -8.419 11.270 1.00 0.00 H new ATOM 392 N PRO A 26 12.445 -2.479 6.063 1.00 0.00 N ATOM 393 CA PRO A 26 13.519 -1.615 5.580 1.00 0.00 C ATOM 394 C PRO A 26 14.776 -1.787 6.446 1.00 0.00 C ATOM 395 O PRO A 26 14.675 -2.073 7.635 1.00 0.00 O ATOM 396 CB PRO A 26 12.949 -0.215 5.802 1.00 0.00 C ATOM 397 CG PRO A 26 11.482 -0.395 5.710 1.00 0.00 C ATOM 398 CD PRO A 26 11.211 -1.722 6.357 1.00 0.00 C ATOM 0 HA PRO A 26 13.806 -1.826 4.550 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.240 0.183 6.774 1.00 0.00 H new ATOM 0 HB3 PRO A 26 13.311 0.485 5.049 1.00 0.00 H new ATOM 0 HG2 PRO A 26 10.953 0.409 6.222 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.148 -0.386 4.673 1.00 0.00 H new ATOM 0 HD2 PRO A 26 11.041 -1.624 7.429 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.329 -2.205 5.937 1.00 0.00 H new ATOM 406 N ASP A 27 15.946 -1.623 5.867 1.00 0.00 N ATOM 407 CA ASP A 27 17.191 -1.702 6.651 1.00 0.00 C ATOM 408 C ASP A 27 17.243 -0.555 7.655 1.00 0.00 C ATOM 409 O ASP A 27 17.877 -0.647 8.690 1.00 0.00 O ATOM 410 CB ASP A 27 18.445 -1.687 5.754 1.00 0.00 C ATOM 411 CG ASP A 27 18.590 -0.428 4.934 1.00 0.00 C ATOM 412 OD1 ASP A 27 18.033 -0.371 3.812 1.00 0.00 O ATOM 413 OD2 ASP A 27 19.250 0.517 5.380 1.00 0.00 O ATOM 0 H ASP A 27 16.076 -1.436 4.873 1.00 0.00 H new ATOM 0 HA ASP A 27 17.188 -2.654 7.183 1.00 0.00 H new ATOM 0 HB2 ASP A 27 19.330 -1.806 6.380 1.00 0.00 H new ATOM 0 HB3 ASP A 27 18.411 -2.545 5.083 1.00 0.00 H new ATOM 418 N ALA A 28 16.506 0.500 7.356 1.00 0.00 N ATOM 419 CA ALA A 28 16.435 1.675 8.215 1.00 0.00 C ATOM 420 C ALA A 28 15.461 1.466 9.389 1.00 0.00 C ATOM 421 O ALA A 28 15.200 2.389 10.155 1.00 0.00 O ATOM 422 CB ALA A 28 16.022 2.888 7.396 1.00 0.00 C ATOM 0 H ALA A 28 15.939 0.569 6.511 1.00 0.00 H new ATOM 0 HA ALA A 28 17.425 1.842 8.638 1.00 0.00 H new ATOM 0 HB1 ALA A 28 15.970 3.764 8.043 1.00 0.00 H new ATOM 0 HB2 ALA A 28 16.755 3.062 6.608 1.00 0.00 H new ATOM 0 HB3 ALA A 28 15.044 2.709 6.949 1.00 0.00 H new ATOM 428 N THR A 29 14.936 0.255 9.521 1.00 0.00 N ATOM 429 CA THR A 29 14.027 -0.077 10.611 1.00 0.00 C ATOM 430 C THR A 29 14.762 -0.032 11.951 1.00 0.00 C ATOM 431 O THR A 29 15.899 -0.516 12.066 1.00 0.00 O ATOM 432 CB THR A 29 13.399 -1.487 10.409 1.00 0.00 C ATOM 433 OG1 THR A 29 12.676 -1.508 9.181 1.00 0.00 O ATOM 434 CG2 THR A 29 12.455 -1.868 11.549 1.00 0.00 C ATOM 0 H THR A 29 15.125 -0.518 8.883 1.00 0.00 H new ATOM 0 HA THR A 29 13.227 0.663 10.612 1.00 0.00 H new ATOM 0 HB THR A 29 14.213 -2.211 10.393 1.00 0.00 H new ATOM 0 HG1 THR A 29 13.302 -1.424 8.431 1.00 0.00 H new ATOM 0 HG21 THR A 29 12.042 -2.859 11.363 1.00 0.00 H new ATOM 0 HG22 THR A 29 13.005 -1.875 12.490 1.00 0.00 H new ATOM 0 HG23 THR A 29 11.644 -1.142 11.608 1.00 0.00 H new ATOM 442 N THR A 30 14.136 0.565 12.931 1.00 0.00 N ATOM 443 CA THR A 30 14.691 0.625 14.242 1.00 0.00 C ATOM 444 C THR A 30 14.364 -0.650 15.006 1.00 0.00 C ATOM 445 O THR A 30 13.281 -1.240 14.827 1.00 0.00 O ATOM 446 CB THR A 30 14.233 1.893 15.027 1.00 0.00 C ATOM 447 OG1 THR A 30 14.721 1.865 16.371 1.00 0.00 O ATOM 448 CG2 THR A 30 12.732 2.030 15.029 1.00 0.00 C ATOM 0 H THR A 30 13.228 1.020 12.835 1.00 0.00 H new ATOM 0 HA THR A 30 15.773 0.706 14.139 1.00 0.00 H new ATOM 0 HB THR A 30 14.654 2.759 14.516 1.00 0.00 H new ATOM 0 HG1 THR A 30 14.423 2.670 16.844 1.00 0.00 H new ATOM 0 HG21 THR A 30 12.449 2.924 15.585 1.00 0.00 H new ATOM 0 HG22 THR A 30 12.373 2.112 14.003 1.00 0.00 H new ATOM 0 HG23 THR A 30 12.287 1.154 15.501 1.00 0.00 H new ATOM 456 N VAL A 31 15.294 -1.086 15.843 1.00 0.00 N ATOM 457 CA VAL A 31 15.118 -2.285 16.647 1.00 0.00 C ATOM 458 C VAL A 31 13.906 -2.129 17.570 1.00 0.00 C ATOM 459 O VAL A 31 13.274 -3.111 17.943 1.00 0.00 O ATOM 460 CB VAL A 31 16.399 -2.632 17.451 1.00 0.00 C ATOM 461 CG1 VAL A 31 16.207 -3.894 18.291 1.00 0.00 C ATOM 462 CG2 VAL A 31 17.569 -2.817 16.497 1.00 0.00 C ATOM 0 H VAL A 31 16.190 -0.619 15.983 1.00 0.00 H new ATOM 0 HA VAL A 31 14.934 -3.120 15.972 1.00 0.00 H new ATOM 0 HB VAL A 31 16.607 -1.806 18.131 1.00 0.00 H new ATOM 0 HG11 VAL A 31 17.123 -4.108 18.841 1.00 0.00 H new ATOM 0 HG12 VAL A 31 15.389 -3.742 18.995 1.00 0.00 H new ATOM 0 HG13 VAL A 31 15.972 -4.734 17.637 1.00 0.00 H new ATOM 0 HG21 VAL A 31 18.467 -3.061 17.065 1.00 0.00 H new ATOM 0 HG22 VAL A 31 17.348 -3.628 15.803 1.00 0.00 H new ATOM 0 HG23 VAL A 31 17.732 -1.895 15.938 1.00 0.00 H new ATOM 472 N SER A 32 13.574 -0.884 17.902 1.00 0.00 N ATOM 473 CA SER A 32 12.399 -0.588 18.700 1.00 0.00 C ATOM 474 C SER A 32 11.135 -1.198 18.056 1.00 0.00 C ATOM 475 O SER A 32 10.346 -1.865 18.730 1.00 0.00 O ATOM 476 CB SER A 32 12.239 0.924 18.843 1.00 0.00 C ATOM 477 OG SER A 32 13.390 1.510 19.446 1.00 0.00 O ATOM 0 H SER A 32 14.110 -0.062 17.626 1.00 0.00 H new ATOM 0 HA SER A 32 12.527 -1.030 19.688 1.00 0.00 H new ATOM 0 HB2 SER A 32 12.073 1.369 17.862 1.00 0.00 H new ATOM 0 HB3 SER A 32 11.358 1.144 19.446 1.00 0.00 H new ATOM 0 HG SER A 32 14.102 0.839 19.513 1.00 0.00 H new ATOM 483 N ALA A 33 10.987 -1.005 16.745 1.00 0.00 N ATOM 484 CA ALA A 33 9.836 -1.515 16.000 1.00 0.00 C ATOM 485 C ALA A 33 9.988 -3.009 15.736 1.00 0.00 C ATOM 486 O ALA A 33 8.998 -3.732 15.567 1.00 0.00 O ATOM 487 CB ALA A 33 9.669 -0.753 14.695 1.00 0.00 C ATOM 0 H ALA A 33 11.658 -0.493 16.172 1.00 0.00 H new ATOM 0 HA ALA A 33 8.940 -1.365 16.602 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.808 -1.145 14.153 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.513 0.304 14.909 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.566 -0.872 14.087 1.00 0.00 H new ATOM 493 N LEU A 34 11.226 -3.473 15.719 1.00 0.00 N ATOM 494 CA LEU A 34 11.523 -4.837 15.538 1.00 0.00 C ATOM 495 C LEU A 34 11.048 -5.590 16.784 1.00 0.00 C ATOM 496 O LEU A 34 10.423 -6.635 16.682 1.00 0.00 O ATOM 497 CB LEU A 34 13.030 -4.960 15.304 1.00 0.00 C ATOM 498 CG LEU A 34 13.593 -6.333 15.104 1.00 0.00 C ATOM 499 CD1 LEU A 34 12.925 -7.030 13.927 1.00 0.00 C ATOM 500 CD2 LEU A 34 15.091 -6.261 14.890 1.00 0.00 C ATOM 0 H LEU A 34 12.049 -2.882 15.835 1.00 0.00 H new ATOM 0 HA LEU A 34 11.016 -5.271 14.676 1.00 0.00 H new ATOM 0 HB2 LEU A 34 13.283 -4.363 14.428 1.00 0.00 H new ATOM 0 HB3 LEU A 34 13.540 -4.509 16.156 1.00 0.00 H new ATOM 0 HG LEU A 34 13.393 -6.916 16.003 1.00 0.00 H new ATOM 0 HD11 LEU A 34 13.352 -8.025 13.803 1.00 0.00 H new ATOM 0 HD12 LEU A 34 11.855 -7.115 14.114 1.00 0.00 H new ATOM 0 HD13 LEU A 34 13.089 -6.449 13.019 1.00 0.00 H new ATOM 0 HD21 LEU A 34 15.487 -7.266 14.746 1.00 0.00 H new ATOM 0 HD22 LEU A 34 15.304 -5.657 14.008 1.00 0.00 H new ATOM 0 HD23 LEU A 34 15.562 -5.807 15.762 1.00 0.00 H new ATOM 512 N LYS A 35 11.305 -4.998 17.959 1.00 0.00 N ATOM 513 CA LYS A 35 10.820 -5.517 19.238 1.00 0.00 C ATOM 514 C LYS A 35 9.305 -5.542 19.250 1.00 0.00 C ATOM 515 O LYS A 35 8.707 -6.511 19.681 1.00 0.00 O ATOM 516 CB LYS A 35 11.296 -4.640 20.388 1.00 0.00 C ATOM 517 CG LYS A 35 12.788 -4.640 20.657 1.00 0.00 C ATOM 518 CD LYS A 35 13.278 -5.952 21.243 1.00 0.00 C ATOM 519 CE LYS A 35 14.751 -5.846 21.609 1.00 0.00 C ATOM 520 NZ LYS A 35 15.227 -7.015 22.371 1.00 0.00 N ATOM 0 H LYS A 35 11.856 -4.144 18.045 1.00 0.00 H new ATOM 0 HA LYS A 35 11.213 -6.526 19.361 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.984 -3.615 20.189 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.784 -4.958 21.296 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.321 -4.441 19.727 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.029 -3.828 21.343 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.693 -6.205 22.127 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.132 -6.757 20.523 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.342 -5.744 20.699 1.00 0.00 H new ATOM 0 HE3 LYS A 35 14.912 -4.942 22.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 16.267 -7.016 22.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.861 -6.968 23.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.890 -7.887 21.916 1.00 0.00 H new ATOM 534 N GLU A 36 8.696 -4.458 18.761 1.00 0.00 N ATOM 535 CA GLU A 36 7.240 -4.351 18.673 1.00 0.00 C ATOM 536 C GLU A 36 6.673 -5.501 17.853 1.00 0.00 C ATOM 537 O GLU A 36 5.654 -6.102 18.210 1.00 0.00 O ATOM 538 CB GLU A 36 6.845 -3.010 18.048 1.00 0.00 C ATOM 539 CG GLU A 36 7.242 -1.796 18.867 1.00 0.00 C ATOM 540 CD GLU A 36 6.602 -1.782 20.230 1.00 0.00 C ATOM 541 OE1 GLU A 36 7.172 -2.368 21.179 1.00 0.00 O ATOM 542 OE2 GLU A 36 5.525 -1.192 20.383 1.00 0.00 O ATOM 0 H GLU A 36 9.195 -3.637 18.418 1.00 0.00 H new ATOM 0 HA GLU A 36 6.826 -4.404 19.680 1.00 0.00 H new ATOM 0 HB2 GLU A 36 7.303 -2.934 17.062 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.765 -2.996 17.900 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.326 -1.776 18.979 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.961 -0.891 18.328 1.00 0.00 H new ATOM 549 N THR A 37 7.351 -5.814 16.772 1.00 0.00 N ATOM 550 CA THR A 37 6.974 -6.909 15.918 1.00 0.00 C ATOM 551 C THR A 37 7.172 -8.250 16.656 1.00 0.00 C ATOM 552 O THR A 37 6.343 -9.138 16.565 1.00 0.00 O ATOM 553 CB THR A 37 7.795 -6.868 14.613 1.00 0.00 C ATOM 554 OG1 THR A 37 7.599 -5.581 13.982 1.00 0.00 O ATOM 555 CG2 THR A 37 7.354 -7.968 13.655 1.00 0.00 C ATOM 0 H THR A 37 8.183 -5.312 16.462 1.00 0.00 H new ATOM 0 HA THR A 37 5.919 -6.816 15.660 1.00 0.00 H new ATOM 0 HB THR A 37 8.847 -7.023 14.853 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.067 -4.890 14.496 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.949 -7.916 12.743 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.497 -8.940 14.127 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.300 -7.835 13.409 1.00 0.00 H new ATOM 563 N VAL A 38 8.256 -8.348 17.414 1.00 0.00 N ATOM 564 CA VAL A 38 8.580 -9.528 18.214 1.00 0.00 C ATOM 565 C VAL A 38 7.470 -9.816 19.218 1.00 0.00 C ATOM 566 O VAL A 38 6.909 -10.912 19.245 1.00 0.00 O ATOM 567 CB VAL A 38 9.940 -9.323 18.970 1.00 0.00 C ATOM 568 CG1 VAL A 38 10.171 -10.385 20.018 1.00 0.00 C ATOM 569 CG2 VAL A 38 11.096 -9.340 17.989 1.00 0.00 C ATOM 0 H VAL A 38 8.946 -7.601 17.494 1.00 0.00 H new ATOM 0 HA VAL A 38 8.675 -10.379 17.540 1.00 0.00 H new ATOM 0 HB VAL A 38 9.884 -8.355 19.468 1.00 0.00 H new ATOM 0 HG11 VAL A 38 11.124 -10.204 20.516 1.00 0.00 H new ATOM 0 HG12 VAL A 38 9.366 -10.353 20.752 1.00 0.00 H new ATOM 0 HG13 VAL A 38 10.191 -11.366 19.544 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.033 -9.197 18.528 1.00 0.00 H new ATOM 0 HG22 VAL A 38 11.119 -10.298 17.470 1.00 0.00 H new ATOM 0 HG23 VAL A 38 10.969 -8.537 17.263 1.00 0.00 H new ATOM 579 N ILE A 39 7.130 -8.809 19.988 1.00 0.00 N ATOM 580 CA ILE A 39 6.132 -8.934 21.047 1.00 0.00 C ATOM 581 C ILE A 39 4.752 -9.284 20.456 1.00 0.00 C ATOM 582 O ILE A 39 3.972 -10.043 21.050 1.00 0.00 O ATOM 583 CB ILE A 39 6.049 -7.622 21.900 1.00 0.00 C ATOM 584 CG1 ILE A 39 7.450 -7.257 22.416 1.00 0.00 C ATOM 585 CG2 ILE A 39 5.093 -7.798 23.084 1.00 0.00 C ATOM 586 CD1 ILE A 39 7.500 -6.041 23.302 1.00 0.00 C ATOM 0 H ILE A 39 7.533 -7.875 19.905 1.00 0.00 H new ATOM 0 HA ILE A 39 6.441 -9.746 21.705 1.00 0.00 H new ATOM 0 HB ILE A 39 5.667 -6.821 21.267 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.852 -8.107 22.967 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.105 -7.093 21.561 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.053 -6.874 23.660 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.096 -8.038 22.714 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.448 -8.608 23.721 1.00 0.00 H new ATOM 0 HD11 ILE A 39 8.528 -5.862 23.617 1.00 0.00 H new ATOM 0 HD12 ILE A 39 7.133 -5.175 22.752 1.00 0.00 H new ATOM 0 HD13 ILE A 39 6.875 -6.205 24.180 1.00 0.00 H new ATOM 598 N SER A 40 4.475 -8.743 19.289 1.00 0.00 N ATOM 599 CA SER A 40 3.219 -8.977 18.605 1.00 0.00 C ATOM 600 C SER A 40 3.160 -10.373 17.946 1.00 0.00 C ATOM 601 O SER A 40 2.119 -11.028 17.966 1.00 0.00 O ATOM 602 CB SER A 40 2.990 -7.884 17.573 1.00 0.00 C ATOM 603 OG SER A 40 3.026 -6.601 18.199 1.00 0.00 O ATOM 0 H SER A 40 5.114 -8.128 18.786 1.00 0.00 H new ATOM 0 HA SER A 40 2.423 -8.950 19.349 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.754 -7.940 16.797 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.027 -8.031 17.084 1.00 0.00 H new ATOM 0 HG SER A 40 3.881 -6.165 18.003 1.00 0.00 H new ATOM 609 N GLU A 41 4.266 -10.813 17.370 1.00 0.00 N ATOM 610 CA GLU A 41 4.321 -12.069 16.679 1.00 0.00 C ATOM 611 C GLU A 41 4.485 -13.268 17.585 1.00 0.00 C ATOM 612 O GLU A 41 4.089 -14.381 17.208 1.00 0.00 O ATOM 613 CB GLU A 41 5.404 -12.038 15.627 1.00 0.00 C ATOM 614 CG GLU A 41 5.058 -11.187 14.425 1.00 0.00 C ATOM 615 CD GLU A 41 3.829 -11.705 13.727 1.00 0.00 C ATOM 616 OE1 GLU A 41 3.944 -12.717 13.001 1.00 0.00 O ATOM 617 OE2 GLU A 41 2.745 -11.135 13.902 1.00 0.00 O ATOM 0 H GLU A 41 5.148 -10.300 17.374 1.00 0.00 H new ATOM 0 HA GLU A 41 3.348 -12.196 16.204 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.323 -11.662 16.075 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.605 -13.056 15.295 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.893 -10.157 14.741 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.897 -11.177 13.730 1.00 0.00 H new ATOM 624 N TRP A 42 5.062 -13.071 18.749 1.00 0.00 N ATOM 625 CA TRP A 42 5.247 -14.161 19.679 1.00 0.00 C ATOM 626 C TRP A 42 3.879 -14.545 20.226 1.00 0.00 C ATOM 627 O TRP A 42 3.140 -13.662 20.688 1.00 0.00 O ATOM 628 CB TRP A 42 6.191 -13.731 20.807 1.00 0.00 C ATOM 629 CG TRP A 42 6.787 -14.865 21.599 1.00 0.00 C ATOM 630 CD1 TRP A 42 6.606 -15.168 22.922 1.00 0.00 C ATOM 631 CD2 TRP A 42 7.665 -15.859 21.080 1.00 0.00 C ATOM 632 NE1 TRP A 42 7.382 -16.263 23.263 1.00 0.00 N ATOM 633 CE2 TRP A 42 8.019 -16.714 22.137 1.00 0.00 C ATOM 634 CE3 TRP A 42 8.193 -16.098 19.816 1.00 0.00 C ATOM 635 CZ2 TRP A 42 8.881 -17.789 21.963 1.00 0.00 C ATOM 636 CZ3 TRP A 42 9.038 -17.158 19.643 1.00 0.00 C ATOM 637 CH2 TRP A 42 9.376 -17.997 20.708 1.00 0.00 C ATOM 0 H TRP A 42 5.410 -12.169 19.073 1.00 0.00 H new ATOM 0 HA TRP A 42 5.698 -15.021 19.183 1.00 0.00 H new ATOM 0 HB2 TRP A 42 7.001 -13.141 20.379 1.00 0.00 H new ATOM 0 HB3 TRP A 42 5.646 -13.078 21.488 1.00 0.00 H new ATOM 0 HD1 TRP A 42 5.956 -14.633 23.598 1.00 0.00 H new ATOM 0 HE1 TRP A 42 7.465 -16.666 24.196 1.00 0.00 H new ATOM 0 HE3 TRP A 42 7.940 -15.457 18.985 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 9.149 -18.434 22.787 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 9.452 -17.351 18.665 1.00 0.00 H new ATOM 0 HH2 TRP A 42 10.043 -18.828 20.534 1.00 0.00 H new ATOM 648 N PRO A 43 3.507 -15.856 20.127 1.00 0.00 N ATOM 649 CA PRO A 43 2.198 -16.379 20.551 1.00 0.00 C ATOM 650 C PRO A 43 1.662 -15.733 21.825 1.00 0.00 C ATOM 651 O PRO A 43 2.285 -15.797 22.889 1.00 0.00 O ATOM 652 CB PRO A 43 2.484 -17.850 20.771 1.00 0.00 C ATOM 653 CG PRO A 43 3.494 -18.174 19.725 1.00 0.00 C ATOM 654 CD PRO A 43 4.353 -16.939 19.576 1.00 0.00 C ATOM 0 HA PRO A 43 1.423 -16.174 19.813 1.00 0.00 H new ATOM 0 HB2 PRO A 43 2.871 -18.037 21.773 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.584 -18.454 20.659 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.096 -19.034 20.017 1.00 0.00 H new ATOM 0 HG3 PRO A 43 3.011 -18.429 18.782 1.00 0.00 H new ATOM 0 HD2 PRO A 43 5.290 -17.034 20.125 1.00 0.00 H new ATOM 0 HD3 PRO A 43 4.612 -16.754 18.533 1.00 0.00 H new ATOM 662 N ARG A 44 0.490 -15.139 21.701 1.00 0.00 N ATOM 663 CA ARG A 44 -0.159 -14.397 22.776 1.00 0.00 C ATOM 664 C ARG A 44 -0.551 -15.334 23.921 1.00 0.00 C ATOM 665 O ARG A 44 -0.700 -14.915 25.079 1.00 0.00 O ATOM 666 CB ARG A 44 -1.387 -13.683 22.218 1.00 0.00 C ATOM 667 CG ARG A 44 -2.096 -12.770 23.198 1.00 0.00 C ATOM 668 CD ARG A 44 -3.311 -12.130 22.558 1.00 0.00 C ATOM 669 NE ARG A 44 -2.966 -11.358 21.350 1.00 0.00 N ATOM 670 CZ ARG A 44 -3.815 -10.580 20.682 1.00 0.00 C ATOM 671 NH1 ARG A 44 -5.061 -10.441 21.104 1.00 0.00 N ATOM 672 NH2 ARG A 44 -3.414 -9.941 19.597 1.00 0.00 N ATOM 0 H ARG A 44 -0.051 -15.156 20.836 1.00 0.00 H new ATOM 0 HA ARG A 44 0.536 -13.659 23.176 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.085 -13.096 21.351 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.095 -14.432 21.865 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.400 -13.339 24.077 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.410 -11.995 23.541 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.032 -12.905 22.298 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.796 -11.473 23.280 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.010 -11.425 21.002 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.373 -10.930 21.943 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.710 -9.844 20.591 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.453 -10.044 19.271 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.065 -9.345 19.086 1.00 0.00 H new ATOM 686 N GLU A 45 -0.710 -16.592 23.578 1.00 0.00 N ATOM 687 CA GLU A 45 -1.047 -17.638 24.525 1.00 0.00 C ATOM 688 C GLU A 45 0.121 -17.888 25.494 1.00 0.00 C ATOM 689 O GLU A 45 -0.076 -18.362 26.617 1.00 0.00 O ATOM 690 CB GLU A 45 -1.354 -18.923 23.756 1.00 0.00 C ATOM 691 CG GLU A 45 -1.783 -20.099 24.617 1.00 0.00 C ATOM 692 CD GLU A 45 -1.953 -21.355 23.815 1.00 0.00 C ATOM 693 OE1 GLU A 45 -3.044 -21.574 23.257 1.00 0.00 O ATOM 694 OE2 GLU A 45 -0.986 -22.142 23.717 1.00 0.00 O ATOM 0 H GLU A 45 -0.608 -16.925 22.619 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.917 -17.328 25.104 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.142 -18.716 23.032 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.468 -19.210 23.190 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.041 -20.266 25.397 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.722 -19.859 25.116 1.00 0.00 H new ATOM 701 N LYS A 46 1.325 -17.562 25.066 1.00 0.00 N ATOM 702 CA LYS A 46 2.475 -17.812 25.839 1.00 0.00 C ATOM 703 C LYS A 46 2.736 -16.735 26.870 1.00 0.00 C ATOM 704 O LYS A 46 3.427 -15.746 26.603 1.00 0.00 O ATOM 705 CB LYS A 46 3.672 -18.038 24.937 1.00 0.00 C ATOM 706 CG LYS A 46 3.533 -19.281 24.091 1.00 0.00 C ATOM 707 CD LYS A 46 4.747 -19.549 23.233 1.00 0.00 C ATOM 708 CE LYS A 46 4.526 -20.795 22.380 1.00 0.00 C ATOM 709 NZ LYS A 46 4.199 -21.985 23.202 1.00 0.00 N ATOM 0 H LYS A 46 1.509 -17.116 24.167 1.00 0.00 H new ATOM 0 HA LYS A 46 2.296 -18.724 26.409 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.801 -17.173 24.287 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.572 -18.116 25.546 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.358 -20.138 24.741 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.657 -19.182 23.450 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.944 -18.690 22.591 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.625 -19.683 23.865 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.717 -20.611 21.673 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.423 -20.996 21.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.339 -22.847 22.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.821 -22.013 24.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.208 -21.931 23.511 1.00 0.00 H new ATOM 723 N GLU A 47 2.133 -16.908 28.029 1.00 0.00 N ATOM 724 CA GLU A 47 2.359 -16.045 29.139 1.00 0.00 C ATOM 725 C GLU A 47 3.614 -16.514 29.844 1.00 0.00 C ATOM 726 O GLU A 47 3.950 -17.709 29.779 1.00 0.00 O ATOM 727 CB GLU A 47 1.190 -16.082 30.113 1.00 0.00 C ATOM 728 CG GLU A 47 -0.155 -15.745 29.495 1.00 0.00 C ATOM 729 CD GLU A 47 -1.265 -15.766 30.514 1.00 0.00 C ATOM 730 OE1 GLU A 47 -1.564 -16.849 31.050 1.00 0.00 O ATOM 731 OE2 GLU A 47 -1.836 -14.695 30.817 1.00 0.00 O ATOM 0 H GLU A 47 1.470 -17.661 28.214 1.00 0.00 H new ATOM 0 HA GLU A 47 2.466 -15.020 28.783 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.133 -17.077 30.555 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.388 -15.383 30.925 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.105 -14.759 29.033 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.378 -16.458 28.701 1.00 0.00 H new ATOM 738 N ASN A 48 4.315 -15.590 30.480 1.00 0.00 N ATOM 739 CA ASN A 48 5.582 -15.872 31.205 1.00 0.00 C ATOM 740 C ASN A 48 6.649 -16.406 30.219 1.00 0.00 C ATOM 741 O ASN A 48 7.652 -17.009 30.598 1.00 0.00 O ATOM 742 CB ASN A 48 5.340 -16.871 32.370 1.00 0.00 C ATOM 743 CG ASN A 48 6.565 -17.081 33.256 1.00 0.00 C ATOM 744 OD1 ASN A 48 7.388 -16.178 33.432 1.00 0.00 O ATOM 745 ND2 ASN A 48 6.692 -18.262 33.815 1.00 0.00 N ATOM 0 H ASN A 48 4.034 -14.610 30.519 1.00 0.00 H new ATOM 0 HA ASN A 48 5.952 -14.944 31.641 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.515 -16.508 32.984 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.031 -17.831 31.957 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.491 -18.458 34.418 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.991 -18.984 33.646 1.00 0.00 H new ATOM 752 N GLY A 49 6.436 -16.139 28.961 1.00 0.00 N ATOM 753 CA GLY A 49 7.333 -16.595 27.957 1.00 0.00 C ATOM 754 C GLY A 49 8.184 -15.468 27.471 1.00 0.00 C ATOM 755 O GLY A 49 7.992 -14.330 27.905 1.00 0.00 O ATOM 0 H GLY A 49 5.641 -15.603 28.613 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.963 -17.389 28.357 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.772 -17.021 27.125 1.00 0.00 H new ATOM 759 N PRO A 50 9.143 -15.731 26.588 1.00 0.00 N ATOM 760 CA PRO A 50 10.000 -14.684 26.030 1.00 0.00 C ATOM 761 C PRO A 50 9.226 -13.814 25.054 1.00 0.00 C ATOM 762 O PRO A 50 9.231 -14.058 23.863 1.00 0.00 O ATOM 763 CB PRO A 50 11.078 -15.479 25.303 1.00 0.00 C ATOM 764 CG PRO A 50 10.410 -16.751 24.924 1.00 0.00 C ATOM 765 CD PRO A 50 9.483 -17.067 26.053 1.00 0.00 C ATOM 0 HA PRO A 50 10.396 -14.005 26.785 1.00 0.00 H new ATOM 0 HB2 PRO A 50 11.441 -14.945 24.425 1.00 0.00 H new ATOM 0 HB3 PRO A 50 11.940 -15.659 25.946 1.00 0.00 H new ATOM 0 HG2 PRO A 50 9.864 -16.644 23.987 1.00 0.00 H new ATOM 0 HG3 PRO A 50 11.138 -17.549 24.779 1.00 0.00 H new ATOM 0 HD2 PRO A 50 8.597 -17.602 25.710 1.00 0.00 H new ATOM 0 HD3 PRO A 50 9.962 -17.693 26.806 1.00 0.00 H new ATOM 773 N LYS A 51 8.541 -12.827 25.564 1.00 0.00 N ATOM 774 CA LYS A 51 7.649 -12.079 24.732 1.00 0.00 C ATOM 775 C LYS A 51 7.957 -10.588 24.749 1.00 0.00 C ATOM 776 O LYS A 51 7.705 -9.907 23.783 1.00 0.00 O ATOM 777 CB LYS A 51 6.211 -12.356 25.198 1.00 0.00 C ATOM 778 CG LYS A 51 5.117 -11.874 24.264 1.00 0.00 C ATOM 779 CD LYS A 51 3.749 -12.257 24.806 1.00 0.00 C ATOM 780 CE LYS A 51 2.638 -11.910 23.836 1.00 0.00 C ATOM 781 NZ LYS A 51 2.609 -10.471 23.498 1.00 0.00 N ATOM 0 H LYS A 51 8.584 -12.528 26.538 1.00 0.00 H new ATOM 0 HA LYS A 51 7.776 -12.398 23.698 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.095 -13.430 25.341 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.066 -11.887 26.171 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.179 -10.792 24.149 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.258 -12.309 23.274 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.728 -13.327 25.014 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.577 -11.745 25.753 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.763 -12.492 22.923 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.680 -12.197 24.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.622 -10.153 23.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.090 -9.929 24.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.095 -10.317 22.591 1.00 0.00 H new ATOM 795 N THR A 52 8.515 -10.085 25.839 1.00 0.00 N ATOM 796 CA THR A 52 8.760 -8.660 25.944 1.00 0.00 C ATOM 797 C THR A 52 10.186 -8.250 25.500 1.00 0.00 C ATOM 798 O THR A 52 11.055 -9.103 25.262 1.00 0.00 O ATOM 799 CB THR A 52 8.434 -8.108 27.344 1.00 0.00 C ATOM 800 OG1 THR A 52 9.285 -8.701 28.331 1.00 0.00 O ATOM 801 CG2 THR A 52 6.980 -8.388 27.704 1.00 0.00 C ATOM 0 H THR A 52 8.802 -10.634 26.650 1.00 0.00 H new ATOM 0 HA THR A 52 8.068 -8.199 25.239 1.00 0.00 H new ATOM 0 HB THR A 52 8.601 -7.031 27.326 1.00 0.00 H new ATOM 0 HG1 THR A 52 9.065 -8.337 29.214 1.00 0.00 H new ATOM 0 HG21 THR A 52 6.768 -7.991 28.697 1.00 0.00 H new ATOM 0 HG22 THR A 52 6.326 -7.910 26.975 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.805 -9.464 27.699 1.00 0.00 H new ATOM 809 N VAL A 53 10.408 -6.931 25.422 1.00 0.00 N ATOM 810 CA VAL A 53 11.642 -6.318 24.892 1.00 0.00 C ATOM 811 C VAL A 53 12.919 -6.836 25.553 1.00 0.00 C ATOM 812 O VAL A 53 13.895 -7.159 24.859 1.00 0.00 O ATOM 813 CB VAL A 53 11.607 -4.754 25.029 1.00 0.00 C ATOM 814 CG1 VAL A 53 12.892 -4.105 24.523 1.00 0.00 C ATOM 815 CG2 VAL A 53 10.407 -4.169 24.307 1.00 0.00 C ATOM 0 H VAL A 53 9.722 -6.242 25.731 1.00 0.00 H new ATOM 0 HA VAL A 53 11.669 -6.607 23.841 1.00 0.00 H new ATOM 0 HB VAL A 53 11.519 -4.534 26.093 1.00 0.00 H new ATOM 0 HG11 VAL A 53 12.823 -3.023 24.637 1.00 0.00 H new ATOM 0 HG12 VAL A 53 13.739 -4.477 25.099 1.00 0.00 H new ATOM 0 HG13 VAL A 53 13.033 -4.350 23.470 1.00 0.00 H new ATOM 0 HG21 VAL A 53 10.408 -3.085 24.419 1.00 0.00 H new ATOM 0 HG22 VAL A 53 10.459 -4.425 23.249 1.00 0.00 H new ATOM 0 HG23 VAL A 53 9.491 -4.577 24.734 1.00 0.00 H new ATOM 825 N LYS A 54 12.912 -6.925 26.870 1.00 0.00 N ATOM 826 CA LYS A 54 14.132 -7.265 27.605 1.00 0.00 C ATOM 827 C LYS A 54 14.435 -8.749 27.527 1.00 0.00 C ATOM 828 O LYS A 54 15.602 -9.157 27.556 1.00 0.00 O ATOM 829 CB LYS A 54 14.065 -6.878 29.107 1.00 0.00 C ATOM 830 CG LYS A 54 13.624 -5.443 29.454 1.00 0.00 C ATOM 831 CD LYS A 54 12.100 -5.259 29.392 1.00 0.00 C ATOM 832 CE LYS A 54 11.387 -6.157 30.416 1.00 0.00 C ATOM 833 NZ LYS A 54 9.917 -5.995 30.401 1.00 0.00 N ATOM 0 H LYS A 54 12.090 -6.770 27.453 1.00 0.00 H new ATOM 0 HA LYS A 54 14.920 -6.686 27.123 1.00 0.00 H new ATOM 0 HB2 LYS A 54 13.382 -7.568 29.602 1.00 0.00 H new ATOM 0 HB3 LYS A 54 15.052 -7.040 29.540 1.00 0.00 H new ATOM 0 HG2 LYS A 54 13.976 -5.191 30.455 1.00 0.00 H new ATOM 0 HG3 LYS A 54 14.098 -4.745 28.764 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.849 -4.216 29.583 1.00 0.00 H new ATOM 0 HD3 LYS A 54 11.744 -5.494 28.389 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.634 -7.199 30.212 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.762 -5.930 31.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.491 -6.624 31.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.674 -5.008 30.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.551 -6.238 29.459 1.00 0.00 H new ATOM 847 N GLU A 55 13.399 -9.541 27.405 1.00 0.00 N ATOM 848 CA GLU A 55 13.543 -10.981 27.519 1.00 0.00 C ATOM 849 C GLU A 55 13.984 -11.603 26.203 1.00 0.00 C ATOM 850 O GLU A 55 14.708 -12.607 26.182 1.00 0.00 O ATOM 851 CB GLU A 55 12.225 -11.595 27.983 1.00 0.00 C ATOM 852 CG GLU A 55 11.621 -10.901 29.205 1.00 0.00 C ATOM 853 CD GLU A 55 12.564 -10.806 30.383 1.00 0.00 C ATOM 854 OE1 GLU A 55 12.638 -11.757 31.184 1.00 0.00 O ATOM 855 OE2 GLU A 55 13.225 -9.770 30.542 1.00 0.00 O ATOM 0 H GLU A 55 12.447 -9.220 27.227 1.00 0.00 H new ATOM 0 HA GLU A 55 14.318 -11.189 28.256 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.508 -11.557 27.163 1.00 0.00 H new ATOM 0 HB3 GLU A 55 12.387 -12.647 28.217 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.306 -9.897 28.922 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.725 -11.441 29.512 1.00 0.00 H new ATOM 862 N VAL A 56 13.553 -11.013 25.116 1.00 0.00 N ATOM 863 CA VAL A 56 13.902 -11.507 23.808 1.00 0.00 C ATOM 864 C VAL A 56 15.111 -10.764 23.288 1.00 0.00 C ATOM 865 O VAL A 56 15.055 -9.554 23.072 1.00 0.00 O ATOM 866 CB VAL A 56 12.753 -11.297 22.800 1.00 0.00 C ATOM 867 CG1 VAL A 56 13.111 -11.880 21.449 1.00 0.00 C ATOM 868 CG2 VAL A 56 11.463 -11.889 23.312 1.00 0.00 C ATOM 0 H VAL A 56 12.957 -10.186 25.112 1.00 0.00 H new ATOM 0 HA VAL A 56 14.107 -12.573 23.907 1.00 0.00 H new ATOM 0 HB VAL A 56 12.605 -10.224 22.682 1.00 0.00 H new ATOM 0 HG11 VAL A 56 12.287 -11.721 20.754 1.00 0.00 H new ATOM 0 HG12 VAL A 56 14.007 -11.391 21.067 1.00 0.00 H new ATOM 0 HG13 VAL A 56 13.297 -12.949 21.552 1.00 0.00 H new ATOM 0 HG21 VAL A 56 10.672 -11.725 22.580 1.00 0.00 H new ATOM 0 HG22 VAL A 56 11.593 -12.959 23.473 1.00 0.00 H new ATOM 0 HG23 VAL A 56 11.191 -11.411 24.253 1.00 0.00 H new ATOM 878 N LYS A 57 16.185 -11.462 23.086 1.00 0.00 N ATOM 879 CA LYS A 57 17.361 -10.863 22.528 1.00 0.00 C ATOM 880 C LYS A 57 17.477 -11.218 21.067 1.00 0.00 C ATOM 881 O LYS A 57 17.401 -12.392 20.693 1.00 0.00 O ATOM 882 CB LYS A 57 18.594 -11.252 23.321 1.00 0.00 C ATOM 883 CG LYS A 57 18.625 -10.633 24.704 1.00 0.00 C ATOM 884 CD LYS A 57 19.809 -11.113 25.505 1.00 0.00 C ATOM 885 CE LYS A 57 19.895 -10.388 26.834 1.00 0.00 C ATOM 886 NZ LYS A 57 20.966 -10.928 27.684 1.00 0.00 N ATOM 0 H LYS A 57 16.273 -12.455 23.301 1.00 0.00 H new ATOM 0 HA LYS A 57 17.279 -9.778 22.595 1.00 0.00 H new ATOM 0 HB2 LYS A 57 18.633 -12.337 23.413 1.00 0.00 H new ATOM 0 HB3 LYS A 57 19.485 -10.947 22.772 1.00 0.00 H new ATOM 0 HG2 LYS A 57 18.662 -9.547 24.616 1.00 0.00 H new ATOM 0 HG3 LYS A 57 17.704 -10.879 25.233 1.00 0.00 H new ATOM 0 HD2 LYS A 57 19.726 -12.186 25.677 1.00 0.00 H new ATOM 0 HD3 LYS A 57 20.726 -10.951 24.938 1.00 0.00 H new ATOM 0 HE2 LYS A 57 20.071 -9.327 26.658 1.00 0.00 H new ATOM 0 HE3 LYS A 57 18.941 -10.471 27.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 21.315 -10.182 28.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 20.595 -11.718 28.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 21.746 -11.267 27.086 1.00 0.00 H new ATOM 900 N LEU A 58 17.634 -10.210 20.248 1.00 0.00 N ATOM 901 CA LEU A 58 17.661 -10.391 18.824 1.00 0.00 C ATOM 902 C LEU A 58 19.133 -10.344 18.363 1.00 0.00 C ATOM 903 O LEU A 58 19.836 -9.364 18.610 1.00 0.00 O ATOM 904 CB LEU A 58 16.800 -9.262 18.180 1.00 0.00 C ATOM 905 CG LEU A 58 16.300 -9.445 16.728 1.00 0.00 C ATOM 906 CD1 LEU A 58 17.444 -9.586 15.753 1.00 0.00 C ATOM 907 CD2 LEU A 58 15.390 -10.659 16.641 1.00 0.00 C ATOM 0 H LEU A 58 17.746 -9.243 20.551 1.00 0.00 H new ATOM 0 HA LEU A 58 17.244 -11.351 18.519 1.00 0.00 H new ATOM 0 HB2 LEU A 58 15.926 -9.111 18.814 1.00 0.00 H new ATOM 0 HB3 LEU A 58 17.383 -8.341 18.215 1.00 0.00 H new ATOM 0 HG LEU A 58 15.742 -8.549 16.455 1.00 0.00 H new ATOM 0 HD11 LEU A 58 17.049 -9.713 14.745 1.00 0.00 H new ATOM 0 HD12 LEU A 58 18.066 -8.691 15.790 1.00 0.00 H new ATOM 0 HD13 LEU A 58 18.044 -10.456 16.020 1.00 0.00 H new ATOM 0 HD21 LEU A 58 15.042 -10.780 15.615 1.00 0.00 H new ATOM 0 HD22 LEU A 58 15.941 -11.549 16.945 1.00 0.00 H new ATOM 0 HD23 LEU A 58 14.533 -10.519 17.300 1.00 0.00 H new ATOM 919 N ILE A 59 19.569 -11.401 17.717 1.00 0.00 N ATOM 920 CA ILE A 59 20.948 -11.562 17.273 1.00 0.00 C ATOM 921 C ILE A 59 21.071 -11.604 15.750 1.00 0.00 C ATOM 922 O ILE A 59 20.419 -12.419 15.075 1.00 0.00 O ATOM 923 CB ILE A 59 21.538 -12.871 17.881 1.00 0.00 C ATOM 924 CG1 ILE A 59 21.750 -12.727 19.394 1.00 0.00 C ATOM 925 CG2 ILE A 59 22.824 -13.302 17.189 1.00 0.00 C ATOM 926 CD1 ILE A 59 22.891 -11.831 19.781 1.00 0.00 C ATOM 0 H ILE A 59 18.970 -12.191 17.478 1.00 0.00 H new ATOM 0 HA ILE A 59 21.508 -10.693 17.620 1.00 0.00 H new ATOM 0 HB ILE A 59 20.805 -13.659 17.709 1.00 0.00 H new ATOM 0 HG12 ILE A 59 20.834 -12.341 19.841 1.00 0.00 H new ATOM 0 HG13 ILE A 59 21.921 -13.716 19.820 1.00 0.00 H new ATOM 0 HG21 ILE A 59 23.195 -14.218 17.649 1.00 0.00 H new ATOM 0 HG22 ILE A 59 22.626 -13.481 16.132 1.00 0.00 H new ATOM 0 HG23 ILE A 59 23.573 -12.516 17.290 1.00 0.00 H new ATOM 0 HD11 ILE A 59 22.967 -11.788 20.867 1.00 0.00 H new ATOM 0 HD12 ILE A 59 23.819 -12.225 19.368 1.00 0.00 H new ATOM 0 HD13 ILE A 59 22.716 -10.829 19.389 1.00 0.00 H new ATOM 938 N SER A 60 21.898 -10.724 15.229 1.00 0.00 N ATOM 939 CA SER A 60 22.242 -10.703 13.838 1.00 0.00 C ATOM 940 C SER A 60 23.761 -10.784 13.727 1.00 0.00 C ATOM 941 O SER A 60 24.471 -9.922 14.273 1.00 0.00 O ATOM 942 CB SER A 60 21.729 -9.421 13.179 1.00 0.00 C ATOM 943 OG SER A 60 22.287 -8.264 13.790 1.00 0.00 O ATOM 0 H SER A 60 22.354 -9.994 15.776 1.00 0.00 H new ATOM 0 HA SER A 60 21.781 -11.547 13.326 1.00 0.00 H new ATOM 0 HB2 SER A 60 21.979 -9.430 12.118 1.00 0.00 H new ATOM 0 HB3 SER A 60 20.642 -9.383 13.250 1.00 0.00 H new ATOM 0 HG SER A 60 23.193 -8.465 14.105 1.00 0.00 H new ATOM 949 N ALA A 61 24.256 -11.843 13.091 1.00 0.00 N ATOM 950 CA ALA A 61 25.705 -12.092 12.891 1.00 0.00 C ATOM 951 C ALA A 61 26.437 -12.302 14.225 1.00 0.00 C ATOM 952 O ALA A 61 27.667 -12.268 14.294 1.00 0.00 O ATOM 953 CB ALA A 61 26.352 -10.973 12.067 1.00 0.00 C ATOM 0 H ALA A 61 23.664 -12.570 12.690 1.00 0.00 H new ATOM 0 HA ALA A 61 25.800 -13.018 12.324 1.00 0.00 H new ATOM 0 HB1 ALA A 61 27.414 -11.184 11.937 1.00 0.00 H new ATOM 0 HB2 ALA A 61 25.872 -10.916 11.090 1.00 0.00 H new ATOM 0 HB3 ALA A 61 26.232 -10.022 12.587 1.00 0.00 H new ATOM 959 N GLY A 62 25.669 -12.561 15.263 1.00 0.00 N ATOM 960 CA GLY A 62 26.222 -12.762 16.587 1.00 0.00 C ATOM 961 C GLY A 62 26.156 -11.509 17.441 1.00 0.00 C ATOM 962 O GLY A 62 26.598 -11.510 18.592 1.00 0.00 O ATOM 0 H GLY A 62 24.653 -12.638 15.215 1.00 0.00 H new ATOM 0 HA2 GLY A 62 25.680 -13.566 17.085 1.00 0.00 H new ATOM 0 HA3 GLY A 62 27.260 -13.083 16.499 1.00 0.00 H new ATOM 966 N LYS A 63 25.606 -10.441 16.889 1.00 0.00 N ATOM 967 CA LYS A 63 25.516 -9.197 17.566 1.00 0.00 C ATOM 968 C LYS A 63 24.095 -8.953 18.005 1.00 0.00 C ATOM 969 O LYS A 63 23.157 -9.222 17.247 1.00 0.00 O ATOM 970 CB LYS A 63 25.959 -8.049 16.652 1.00 0.00 C ATOM 971 CG LYS A 63 27.446 -8.003 16.267 1.00 0.00 C ATOM 972 CD LYS A 63 27.854 -9.129 15.333 1.00 0.00 C ATOM 973 CE LYS A 63 29.345 -9.102 15.030 1.00 0.00 C ATOM 974 NZ LYS A 63 29.778 -7.826 14.416 1.00 0.00 N ATOM 0 H LYS A 63 25.211 -10.432 15.949 1.00 0.00 H new ATOM 0 HA LYS A 63 26.172 -9.235 18.435 1.00 0.00 H new ATOM 0 HB2 LYS A 63 25.372 -8.099 15.735 1.00 0.00 H new ATOM 0 HB3 LYS A 63 25.706 -7.108 17.141 1.00 0.00 H new ATOM 0 HG2 LYS A 63 27.662 -7.047 15.790 1.00 0.00 H new ATOM 0 HG3 LYS A 63 28.051 -8.052 17.172 1.00 0.00 H new ATOM 0 HD2 LYS A 63 27.592 -10.087 15.783 1.00 0.00 H new ATOM 0 HD3 LYS A 63 27.293 -9.050 14.402 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.902 -9.265 15.952 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.591 -9.925 14.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 30.756 -7.919 14.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 29.154 -7.596 13.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 29.728 -7.066 15.124 1.00 0.00 H new ATOM 988 N VAL A 64 23.936 -8.454 19.209 1.00 0.00 N ATOM 989 CA VAL A 64 22.627 -8.143 19.741 1.00 0.00 C ATOM 990 C VAL A 64 22.152 -6.834 19.126 1.00 0.00 C ATOM 991 O VAL A 64 22.883 -5.828 19.149 1.00 0.00 O ATOM 992 CB VAL A 64 22.671 -7.950 21.295 1.00 0.00 C ATOM 993 CG1 VAL A 64 21.283 -7.662 21.859 1.00 0.00 C ATOM 994 CG2 VAL A 64 23.284 -9.151 21.991 1.00 0.00 C ATOM 0 H VAL A 64 24.707 -8.252 19.846 1.00 0.00 H new ATOM 0 HA VAL A 64 21.958 -8.970 19.504 1.00 0.00 H new ATOM 0 HB VAL A 64 23.306 -7.086 21.490 1.00 0.00 H new ATOM 0 HG11 VAL A 64 21.349 -7.533 22.939 1.00 0.00 H new ATOM 0 HG12 VAL A 64 20.889 -6.751 21.408 1.00 0.00 H new ATOM 0 HG13 VAL A 64 20.618 -8.496 21.633 1.00 0.00 H new ATOM 0 HG21 VAL A 64 23.297 -8.980 23.067 1.00 0.00 H new ATOM 0 HG22 VAL A 64 22.692 -10.040 21.772 1.00 0.00 H new ATOM 0 HG23 VAL A 64 24.304 -9.297 21.634 1.00 0.00 H new ATOM 1004 N LEU A 65 20.977 -6.832 18.557 1.00 0.00 N ATOM 1005 CA LEU A 65 20.419 -5.626 18.059 1.00 0.00 C ATOM 1006 C LEU A 65 19.890 -4.812 19.208 1.00 0.00 C ATOM 1007 O LEU A 65 18.926 -5.199 19.877 1.00 0.00 O ATOM 1008 CB LEU A 65 19.344 -5.871 17.007 1.00 0.00 C ATOM 1009 CG LEU A 65 19.805 -6.475 15.679 1.00 0.00 C ATOM 1010 CD1 LEU A 65 18.660 -6.516 14.689 1.00 0.00 C ATOM 1011 CD2 LEU A 65 20.947 -5.678 15.097 1.00 0.00 C ATOM 0 H LEU A 65 20.394 -7.660 18.431 1.00 0.00 H new ATOM 0 HA LEU A 65 21.208 -5.068 17.555 1.00 0.00 H new ATOM 0 HB2 LEU A 65 18.591 -6.531 17.438 1.00 0.00 H new ATOM 0 HB3 LEU A 65 18.852 -4.921 16.796 1.00 0.00 H new ATOM 0 HG LEU A 65 20.146 -7.492 15.874 1.00 0.00 H new ATOM 0 HD11 LEU A 65 19.006 -6.948 13.750 1.00 0.00 H new ATOM 0 HD12 LEU A 65 17.851 -7.125 15.093 1.00 0.00 H new ATOM 0 HD13 LEU A 65 18.297 -5.504 14.510 1.00 0.00 H new ATOM 0 HD21 LEU A 65 21.259 -6.125 14.153 1.00 0.00 H new ATOM 0 HD22 LEU A 65 20.623 -4.652 14.923 1.00 0.00 H new ATOM 0 HD23 LEU A 65 21.785 -5.681 15.794 1.00 0.00 H new ATOM 1023 N GLU A 66 20.550 -3.725 19.457 1.00 0.00 N ATOM 1024 CA GLU A 66 20.219 -2.849 20.548 1.00 0.00 C ATOM 1025 C GLU A 66 18.978 -2.026 20.218 1.00 0.00 C ATOM 1026 O GLU A 66 18.871 -1.459 19.139 1.00 0.00 O ATOM 1027 CB GLU A 66 21.417 -1.975 20.881 1.00 0.00 C ATOM 1028 CG GLU A 66 22.649 -2.774 21.287 1.00 0.00 C ATOM 1029 CD GLU A 66 23.834 -1.902 21.580 1.00 0.00 C ATOM 1030 OE1 GLU A 66 23.894 -1.312 22.681 1.00 0.00 O ATOM 1031 OE2 GLU A 66 24.720 -1.778 20.719 1.00 0.00 O ATOM 0 H GLU A 66 21.347 -3.412 18.902 1.00 0.00 H new ATOM 0 HA GLU A 66 19.980 -3.440 21.432 1.00 0.00 H new ATOM 0 HB2 GLU A 66 21.661 -1.359 20.016 1.00 0.00 H new ATOM 0 HB3 GLU A 66 21.149 -1.296 21.691 1.00 0.00 H new ATOM 0 HG2 GLU A 66 22.416 -3.371 22.169 1.00 0.00 H new ATOM 0 HG3 GLU A 66 22.904 -3.471 20.489 1.00 0.00 H new ATOM 1038 N ASN A 67 18.067 -1.969 21.171 1.00 0.00 N ATOM 1039 CA ASN A 67 16.733 -1.361 21.016 1.00 0.00 C ATOM 1040 C ASN A 67 16.748 0.082 20.452 1.00 0.00 C ATOM 1041 O ASN A 67 15.863 0.456 19.684 1.00 0.00 O ATOM 1042 CB ASN A 67 15.993 -1.398 22.369 1.00 0.00 C ATOM 1043 CG ASN A 67 14.551 -0.911 22.305 1.00 0.00 C ATOM 1044 OD1 ASN A 67 13.877 -1.047 21.294 1.00 0.00 O ATOM 1045 ND2 ASN A 67 14.073 -0.355 23.390 1.00 0.00 N ATOM 0 H ASN A 67 18.226 -2.351 22.104 1.00 0.00 H new ATOM 0 HA ASN A 67 16.208 -1.958 20.270 1.00 0.00 H new ATOM 0 HB2 ASN A 67 16.003 -2.420 22.748 1.00 0.00 H new ATOM 0 HB3 ASN A 67 16.540 -0.786 23.086 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.110 -0.019 23.409 1.00 0.00 H new ATOM 0 HD22 ASN A 67 14.664 -0.258 24.216 1.00 0.00 H new ATOM 1052 N SER A 68 17.747 0.872 20.802 1.00 0.00 N ATOM 1053 CA SER A 68 17.762 2.276 20.394 1.00 0.00 C ATOM 1054 C SER A 68 18.479 2.553 19.049 1.00 0.00 C ATOM 1055 O SER A 68 18.630 3.717 18.654 1.00 0.00 O ATOM 1056 CB SER A 68 18.339 3.144 21.502 1.00 0.00 C ATOM 1057 OG SER A 68 17.595 2.989 22.711 1.00 0.00 O ATOM 0 H SER A 68 18.549 0.577 21.359 1.00 0.00 H new ATOM 0 HA SER A 68 16.719 2.540 20.219 1.00 0.00 H new ATOM 0 HB2 SER A 68 19.381 2.875 21.675 1.00 0.00 H new ATOM 0 HB3 SER A 68 18.326 4.190 21.194 1.00 0.00 H new ATOM 0 HG SER A 68 17.985 3.555 23.410 1.00 0.00 H new ATOM 1063 N LYS A 69 18.894 1.532 18.348 1.00 0.00 N ATOM 1064 CA LYS A 69 19.532 1.713 17.074 1.00 0.00 C ATOM 1065 C LYS A 69 18.761 1.018 15.966 1.00 0.00 C ATOM 1066 O LYS A 69 17.845 0.242 16.232 1.00 0.00 O ATOM 1067 CB LYS A 69 20.985 1.276 17.121 1.00 0.00 C ATOM 1068 CG LYS A 69 21.217 -0.127 17.635 1.00 0.00 C ATOM 1069 CD LYS A 69 22.700 -0.473 17.729 1.00 0.00 C ATOM 1070 CE LYS A 69 23.457 0.478 18.644 1.00 0.00 C ATOM 1071 NZ LYS A 69 24.856 0.057 18.830 1.00 0.00 N ATOM 0 H LYS A 69 18.800 0.560 18.642 1.00 0.00 H new ATOM 0 HA LYS A 69 19.526 2.778 16.844 1.00 0.00 H new ATOM 0 HB2 LYS A 69 21.404 1.352 16.118 1.00 0.00 H new ATOM 0 HB3 LYS A 69 21.538 1.973 17.751 1.00 0.00 H new ATOM 0 HG2 LYS A 69 20.759 -0.231 18.619 1.00 0.00 H new ATOM 0 HG3 LYS A 69 20.721 -0.839 16.976 1.00 0.00 H new ATOM 0 HD2 LYS A 69 22.810 -1.493 18.097 1.00 0.00 H new ATOM 0 HD3 LYS A 69 23.142 -0.444 16.733 1.00 0.00 H new ATOM 0 HE2 LYS A 69 23.432 1.484 18.224 1.00 0.00 H new ATOM 0 HE3 LYS A 69 22.959 0.525 19.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 25.399 0.836 19.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 24.889 -0.771 19.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 25.269 -0.192 17.909 1.00 0.00 H new ATOM 1085 N THR A 70 19.084 1.333 14.736 1.00 0.00 N ATOM 1086 CA THR A 70 18.423 0.765 13.625 1.00 0.00 C ATOM 1087 C THR A 70 19.257 -0.376 13.034 1.00 0.00 C ATOM 1088 O THR A 70 20.443 -0.517 13.368 1.00 0.00 O ATOM 1089 CB THR A 70 18.164 1.845 12.571 1.00 0.00 C ATOM 1090 OG1 THR A 70 19.412 2.400 12.116 1.00 0.00 O ATOM 1091 CG2 THR A 70 17.311 2.971 13.141 1.00 0.00 C ATOM 0 H THR A 70 19.820 1.996 14.493 1.00 0.00 H new ATOM 0 HA THR A 70 17.467 0.354 13.951 1.00 0.00 H new ATOM 0 HB THR A 70 17.634 1.378 11.740 1.00 0.00 H new ATOM 0 HG1 THR A 70 19.237 3.089 11.441 1.00 0.00 H new ATOM 0 HG21 THR A 70 17.142 3.725 12.372 1.00 0.00 H new ATOM 0 HG22 THR A 70 16.353 2.570 13.473 1.00 0.00 H new ATOM 0 HG23 THR A 70 17.826 3.425 13.987 1.00 0.00 H new ATOM 1099 N VAL A 71 18.647 -1.183 12.159 1.00 0.00 N ATOM 1100 CA VAL A 71 19.348 -2.314 11.534 1.00 0.00 C ATOM 1101 C VAL A 71 20.491 -1.789 10.653 1.00 0.00 C ATOM 1102 O VAL A 71 21.558 -2.399 10.549 1.00 0.00 O ATOM 1103 CB VAL A 71 18.370 -3.179 10.676 1.00 0.00 C ATOM 1104 CG1 VAL A 71 19.086 -4.370 10.047 1.00 0.00 C ATOM 1105 CG2 VAL A 71 17.188 -3.653 11.516 1.00 0.00 C ATOM 0 H VAL A 71 17.675 -1.077 11.868 1.00 0.00 H new ATOM 0 HA VAL A 71 19.754 -2.945 12.324 1.00 0.00 H new ATOM 0 HB VAL A 71 17.994 -2.549 9.870 1.00 0.00 H new ATOM 0 HG11 VAL A 71 18.377 -4.951 9.457 1.00 0.00 H new ATOM 0 HG12 VAL A 71 19.888 -4.013 9.401 1.00 0.00 H new ATOM 0 HG13 VAL A 71 19.505 -4.999 10.832 1.00 0.00 H new ATOM 0 HG21 VAL A 71 16.520 -4.253 10.898 1.00 0.00 H new ATOM 0 HG22 VAL A 71 17.552 -4.255 12.349 1.00 0.00 H new ATOM 0 HG23 VAL A 71 16.647 -2.789 11.902 1.00 0.00 H new ATOM 1115 N LYS A 72 20.247 -0.635 10.069 1.00 0.00 N ATOM 1116 CA LYS A 72 21.168 0.065 9.199 1.00 0.00 C ATOM 1117 C LYS A 72 22.503 0.335 9.899 1.00 0.00 C ATOM 1118 O LYS A 72 23.552 0.326 9.260 1.00 0.00 O ATOM 1119 CB LYS A 72 20.481 1.361 8.687 1.00 0.00 C ATOM 1120 CG LYS A 72 21.255 2.204 7.660 1.00 0.00 C ATOM 1121 CD LYS A 72 22.364 3.039 8.283 1.00 0.00 C ATOM 1122 CE LYS A 72 23.115 3.853 7.240 1.00 0.00 C ATOM 1123 NZ LYS A 72 24.183 4.670 7.853 1.00 0.00 N ATOM 0 H LYS A 72 19.365 -0.138 10.193 1.00 0.00 H new ATOM 0 HA LYS A 72 21.412 -0.557 8.338 1.00 0.00 H new ATOM 0 HB2 LYS A 72 19.524 1.085 8.245 1.00 0.00 H new ATOM 0 HB3 LYS A 72 20.264 1.992 9.549 1.00 0.00 H new ATOM 0 HG2 LYS A 72 21.686 1.543 6.908 1.00 0.00 H new ATOM 0 HG3 LYS A 72 20.559 2.864 7.143 1.00 0.00 H new ATOM 0 HD2 LYS A 72 21.938 3.710 9.029 1.00 0.00 H new ATOM 0 HD3 LYS A 72 23.062 2.384 8.804 1.00 0.00 H new ATOM 0 HE2 LYS A 72 23.549 3.183 6.498 1.00 0.00 H new ATOM 0 HE3 LYS A 72 22.417 4.503 6.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 24.674 5.211 7.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 23.765 5.327 8.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 24.863 4.048 8.335 1.00 0.00 H new ATOM 1137 N ASP A 73 22.465 0.557 11.209 1.00 0.00 N ATOM 1138 CA ASP A 73 23.687 0.851 11.972 1.00 0.00 C ATOM 1139 C ASP A 73 24.661 -0.339 11.900 1.00 0.00 C ATOM 1140 O ASP A 73 25.878 -0.165 11.778 1.00 0.00 O ATOM 1141 CB ASP A 73 23.358 1.176 13.434 1.00 0.00 C ATOM 1142 CG ASP A 73 24.562 1.675 14.215 1.00 0.00 C ATOM 1143 OD1 ASP A 73 25.373 0.863 14.682 1.00 0.00 O ATOM 1144 OD2 ASP A 73 24.700 2.907 14.384 1.00 0.00 O ATOM 0 H ASP A 73 21.611 0.541 11.767 1.00 0.00 H new ATOM 0 HA ASP A 73 24.161 1.725 11.527 1.00 0.00 H new ATOM 0 HB2 ASP A 73 22.573 1.931 13.465 1.00 0.00 H new ATOM 0 HB3 ASP A 73 22.961 0.284 13.919 1.00 0.00 H new ATOM 1149 N TYR A 74 24.114 -1.542 11.938 1.00 0.00 N ATOM 1150 CA TYR A 74 24.911 -2.750 11.830 1.00 0.00 C ATOM 1151 C TYR A 74 25.116 -3.164 10.381 1.00 0.00 C ATOM 1152 O TYR A 74 26.104 -3.821 10.052 1.00 0.00 O ATOM 1153 CB TYR A 74 24.271 -3.916 12.577 1.00 0.00 C ATOM 1154 CG TYR A 74 24.384 -3.901 14.083 1.00 0.00 C ATOM 1155 CD1 TYR A 74 25.498 -4.446 14.699 1.00 0.00 C ATOM 1156 CD2 TYR A 74 23.376 -3.394 14.885 1.00 0.00 C ATOM 1157 CE1 TYR A 74 25.612 -4.482 16.069 1.00 0.00 C ATOM 1158 CE2 TYR A 74 23.480 -3.433 16.264 1.00 0.00 C ATOM 1159 CZ TYR A 74 24.602 -3.980 16.849 1.00 0.00 C ATOM 1160 OH TYR A 74 24.716 -4.029 18.226 1.00 0.00 O ATOM 0 H TYR A 74 23.113 -1.708 12.044 1.00 0.00 H new ATOM 0 HA TYR A 74 25.876 -2.514 12.280 1.00 0.00 H new ATOM 0 HB2 TYR A 74 23.213 -3.948 12.316 1.00 0.00 H new ATOM 0 HB3 TYR A 74 24.718 -4.841 12.211 1.00 0.00 H new ATOM 0 HD1 TYR A 74 26.294 -4.851 14.091 1.00 0.00 H new ATOM 0 HD2 TYR A 74 22.497 -2.963 14.428 1.00 0.00 H new ATOM 0 HE1 TYR A 74 26.493 -4.904 16.529 1.00 0.00 H new ATOM 0 HE2 TYR A 74 22.686 -3.037 16.879 1.00 0.00 H new ATOM 0 HH TYR A 74 23.986 -4.569 18.596 1.00 0.00 H new ATOM 1170 N ARG A 75 24.191 -2.805 9.522 1.00 0.00 N ATOM 1171 CA ARG A 75 24.224 -3.210 8.175 1.00 0.00 C ATOM 1172 C ARG A 75 25.249 -2.395 7.391 1.00 0.00 C ATOM 1173 O ARG A 75 25.028 -1.228 7.072 1.00 0.00 O ATOM 1174 CB ARG A 75 22.852 -3.016 7.613 1.00 0.00 C ATOM 1175 CG ARG A 75 22.593 -3.712 6.335 1.00 0.00 C ATOM 1176 CD ARG A 75 22.607 -5.221 6.549 1.00 0.00 C ATOM 1177 NE ARG A 75 22.277 -5.979 5.349 1.00 0.00 N ATOM 1178 CZ ARG A 75 21.956 -7.280 5.346 1.00 0.00 C ATOM 1179 NH1 ARG A 75 21.839 -7.942 6.492 1.00 0.00 N ATOM 1180 NH2 ARG A 75 21.720 -7.903 4.199 1.00 0.00 N ATOM 0 H ARG A 75 23.393 -2.216 9.762 1.00 0.00 H new ATOM 0 HA ARG A 75 24.520 -4.256 8.100 1.00 0.00 H new ATOM 0 HB2 ARG A 75 22.124 -3.357 8.349 1.00 0.00 H new ATOM 0 HB3 ARG A 75 22.683 -1.949 7.468 1.00 0.00 H new ATOM 0 HG2 ARG A 75 21.628 -3.403 5.932 1.00 0.00 H new ATOM 0 HG3 ARG A 75 23.349 -3.434 5.601 1.00 0.00 H new ATOM 0 HD2 ARG A 75 23.594 -5.522 6.900 1.00 0.00 H new ATOM 0 HD3 ARG A 75 21.898 -5.475 7.337 1.00 0.00 H new ATOM 0 HE ARG A 75 22.291 -5.488 4.455 1.00 0.00 H new ATOM 0 HH11 ARG A 75 21.994 -7.460 7.378 1.00 0.00 H new ATOM 0 HH12 ARG A 75 21.595 -8.932 6.486 1.00 0.00 H new ATOM 0 HH21 ARG A 75 21.783 -7.392 3.319 1.00 0.00 H new ATOM 0 HH22 ARG A 75 21.476 -8.893 4.197 1.00 0.00 H new ATOM 1306 N VAL A 85 17.083 -11.327 2.253 1.00 0.00 N ATOM 1307 CA VAL A 85 16.369 -12.021 3.309 1.00 0.00 C ATOM 1308 C VAL A 85 17.335 -12.269 4.449 1.00 0.00 C ATOM 1309 O VAL A 85 18.443 -12.778 4.238 1.00 0.00 O ATOM 1310 CB VAL A 85 15.768 -13.365 2.827 1.00 0.00 C ATOM 1311 CG1 VAL A 85 14.974 -14.051 3.942 1.00 0.00 C ATOM 1312 CG2 VAL A 85 14.900 -13.155 1.598 1.00 0.00 C ATOM 0 HA VAL A 85 15.534 -11.398 3.631 1.00 0.00 H new ATOM 0 HB VAL A 85 16.595 -14.022 2.556 1.00 0.00 H new ATOM 0 HG11 VAL A 85 14.565 -14.991 3.572 1.00 0.00 H new ATOM 0 HG12 VAL A 85 15.632 -14.249 4.788 1.00 0.00 H new ATOM 0 HG13 VAL A 85 14.159 -13.401 4.261 1.00 0.00 H new ATOM 0 HG21 VAL A 85 14.488 -14.111 1.276 1.00 0.00 H new ATOM 0 HG22 VAL A 85 14.086 -12.472 1.840 1.00 0.00 H new ATOM 0 HG23 VAL A 85 15.503 -12.731 0.795 1.00 0.00 H new ATOM 1322 N THR A 86 16.931 -11.921 5.629 1.00 0.00 N ATOM 1323 CA THR A 86 17.781 -11.991 6.769 1.00 0.00 C ATOM 1324 C THR A 86 17.152 -12.867 7.861 1.00 0.00 C ATOM 1325 O THR A 86 15.981 -12.680 8.244 1.00 0.00 O ATOM 1326 CB THR A 86 18.030 -10.565 7.313 1.00 0.00 C ATOM 1327 OG1 THR A 86 18.494 -9.733 6.236 1.00 0.00 O ATOM 1328 CG2 THR A 86 19.087 -10.583 8.405 1.00 0.00 C ATOM 0 H THR A 86 15.992 -11.577 5.828 1.00 0.00 H new ATOM 0 HA THR A 86 18.730 -12.440 6.475 1.00 0.00 H new ATOM 0 HB THR A 86 17.099 -10.179 7.728 1.00 0.00 H new ATOM 0 HG1 THR A 86 18.654 -8.825 6.569 1.00 0.00 H new ATOM 0 HG21 THR A 86 19.247 -9.570 8.774 1.00 0.00 H new ATOM 0 HG22 THR A 86 18.752 -11.219 9.225 1.00 0.00 H new ATOM 0 HG23 THR A 86 20.021 -10.973 8.001 1.00 0.00 H new ATOM 1336 N THR A 87 17.911 -13.820 8.330 1.00 0.00 N ATOM 1337 CA THR A 87 17.492 -14.679 9.389 1.00 0.00 C ATOM 1338 C THR A 87 18.046 -14.152 10.704 1.00 0.00 C ATOM 1339 O THR A 87 19.260 -14.043 10.881 1.00 0.00 O ATOM 1340 CB THR A 87 17.992 -16.123 9.155 1.00 0.00 C ATOM 1341 OG1 THR A 87 17.444 -16.633 7.920 1.00 0.00 O ATOM 1342 CG2 THR A 87 17.593 -17.037 10.309 1.00 0.00 C ATOM 0 H THR A 87 18.848 -14.019 7.979 1.00 0.00 H new ATOM 0 HA THR A 87 16.403 -14.695 9.421 1.00 0.00 H new ATOM 0 HB THR A 87 19.080 -16.102 9.095 1.00 0.00 H new ATOM 0 HG1 THR A 87 17.764 -17.548 7.773 1.00 0.00 H new ATOM 0 HG21 THR A 87 17.958 -18.046 10.117 1.00 0.00 H new ATOM 0 HG22 THR A 87 18.028 -16.664 11.236 1.00 0.00 H new ATOM 0 HG23 THR A 87 16.507 -17.055 10.400 1.00 0.00 H new ATOM 1350 N MET A 88 17.173 -13.810 11.600 1.00 0.00 N ATOM 1351 CA MET A 88 17.582 -13.313 12.881 1.00 0.00 C ATOM 1352 C MET A 88 17.491 -14.407 13.893 1.00 0.00 C ATOM 1353 O MET A 88 16.521 -15.169 13.903 1.00 0.00 O ATOM 1354 CB MET A 88 16.720 -12.139 13.310 1.00 0.00 C ATOM 1355 CG MET A 88 16.846 -10.913 12.430 1.00 0.00 C ATOM 1356 SD MET A 88 18.511 -10.232 12.406 1.00 0.00 S ATOM 1357 CE MET A 88 18.256 -8.765 11.414 1.00 0.00 C ATOM 0 H MET A 88 16.163 -13.866 11.468 1.00 0.00 H new ATOM 0 HA MET A 88 18.613 -12.968 12.806 1.00 0.00 H new ATOM 0 HB2 MET A 88 15.677 -12.456 13.323 1.00 0.00 H new ATOM 0 HB3 MET A 88 16.983 -11.866 14.332 1.00 0.00 H new ATOM 0 HG2 MET A 88 16.550 -11.171 11.413 1.00 0.00 H new ATOM 0 HG3 MET A 88 16.152 -10.149 12.780 1.00 0.00 H new ATOM 0 HE1 MET A 88 19.219 -8.308 11.187 1.00 0.00 H new ATOM 0 HE2 MET A 88 17.755 -9.037 10.485 1.00 0.00 H new ATOM 0 HE3 MET A 88 17.638 -8.056 11.965 1.00 0.00 H new ATOM 1367 N HIS A 89 18.484 -14.512 14.728 1.00 0.00 N ATOM 1368 CA HIS A 89 18.483 -15.517 15.756 1.00 0.00 C ATOM 1369 C HIS A 89 17.923 -14.952 17.015 1.00 0.00 C ATOM 1370 O HIS A 89 18.390 -13.929 17.512 1.00 0.00 O ATOM 1371 CB HIS A 89 19.872 -16.118 15.997 1.00 0.00 C ATOM 1372 CG HIS A 89 20.381 -16.929 14.853 1.00 0.00 C ATOM 1373 ND1 HIS A 89 21.579 -16.692 14.226 1.00 0.00 N ATOM 1374 CD2 HIS A 89 19.854 -18.011 14.246 1.00 0.00 C ATOM 1375 CE1 HIS A 89 21.764 -17.594 13.284 1.00 0.00 C ATOM 1376 NE2 HIS A 89 20.730 -18.405 13.278 1.00 0.00 N ATOM 0 H HIS A 89 19.309 -13.912 14.718 1.00 0.00 H new ATOM 0 HA HIS A 89 17.850 -16.335 15.413 1.00 0.00 H new ATOM 0 HB2 HIS A 89 20.577 -15.312 16.201 1.00 0.00 H new ATOM 0 HB3 HIS A 89 19.837 -16.745 16.888 1.00 0.00 H new ATOM 0 HD2 HIS A 89 18.911 -18.480 14.483 1.00 0.00 H new ATOM 0 HE1 HIS A 89 22.620 -17.656 12.628 1.00 0.00 H new ATOM 0 HE2 HIS A 89 20.603 -19.200 12.651 1.00 0.00 H new ATOM 1385 N VAL A 90 16.917 -15.587 17.506 1.00 0.00 N ATOM 1386 CA VAL A 90 16.265 -15.157 18.702 1.00 0.00 C ATOM 1387 C VAL A 90 16.807 -15.932 19.867 1.00 0.00 C ATOM 1388 O VAL A 90 16.790 -17.165 19.882 1.00 0.00 O ATOM 1389 CB VAL A 90 14.730 -15.332 18.606 1.00 0.00 C ATOM 1390 CG1 VAL A 90 14.040 -14.809 19.846 1.00 0.00 C ATOM 1391 CG2 VAL A 90 14.182 -14.650 17.362 1.00 0.00 C ATOM 0 H VAL A 90 16.517 -16.427 17.088 1.00 0.00 H new ATOM 0 HA VAL A 90 16.464 -14.094 18.842 1.00 0.00 H new ATOM 0 HB VAL A 90 14.524 -16.400 18.531 1.00 0.00 H new ATOM 0 HG11 VAL A 90 12.963 -14.946 19.748 1.00 0.00 H new ATOM 0 HG12 VAL A 90 14.398 -15.355 20.719 1.00 0.00 H new ATOM 0 HG13 VAL A 90 14.261 -13.748 19.966 1.00 0.00 H new ATOM 0 HG21 VAL A 90 13.102 -14.788 17.318 1.00 0.00 H new ATOM 0 HG22 VAL A 90 14.411 -13.585 17.400 1.00 0.00 H new ATOM 0 HG23 VAL A 90 14.640 -15.088 16.475 1.00 0.00 H new ATOM 1401 N ILE A 91 17.306 -15.208 20.802 1.00 0.00 N ATOM 1402 CA ILE A 91 17.868 -15.741 21.992 1.00 0.00 C ATOM 1403 C ILE A 91 16.847 -15.656 23.097 1.00 0.00 C ATOM 1404 O ILE A 91 16.373 -14.561 23.458 1.00 0.00 O ATOM 1405 CB ILE A 91 19.143 -14.962 22.354 1.00 0.00 C ATOM 1406 CG1 ILE A 91 20.239 -15.170 21.293 1.00 0.00 C ATOM 1407 CG2 ILE A 91 19.657 -15.284 23.757 1.00 0.00 C ATOM 1408 CD1 ILE A 91 20.660 -16.613 21.088 1.00 0.00 C ATOM 0 H ILE A 91 17.336 -14.189 20.759 1.00 0.00 H new ATOM 0 HA ILE A 91 18.140 -16.786 21.846 1.00 0.00 H new ATOM 0 HB ILE A 91 18.872 -13.906 22.362 1.00 0.00 H new ATOM 0 HG12 ILE A 91 19.885 -14.771 20.342 1.00 0.00 H new ATOM 0 HG13 ILE A 91 21.115 -14.587 21.577 1.00 0.00 H new ATOM 0 HG21 ILE A 91 20.558 -14.705 23.956 1.00 0.00 H new ATOM 0 HG22 ILE A 91 18.893 -15.030 24.492 1.00 0.00 H new ATOM 0 HG23 ILE A 91 19.887 -16.347 23.825 1.00 0.00 H new ATOM 0 HD11 ILE A 91 21.435 -16.661 20.323 1.00 0.00 H new ATOM 0 HD12 ILE A 91 21.048 -17.015 22.024 1.00 0.00 H new ATOM 0 HD13 ILE A 91 19.799 -17.201 20.770 1.00 0.00 H new ATOM 1420 N ILE A 92 16.498 -16.801 23.610 1.00 0.00 N ATOM 1421 CA ILE A 92 15.489 -16.911 24.614 1.00 0.00 C ATOM 1422 C ILE A 92 16.097 -17.049 25.985 1.00 0.00 C ATOM 1423 O ILE A 92 16.706 -18.072 26.315 1.00 0.00 O ATOM 1424 CB ILE A 92 14.481 -18.107 24.362 1.00 0.00 C ATOM 1425 CG1 ILE A 92 13.552 -17.858 23.157 1.00 0.00 C ATOM 1426 CG2 ILE A 92 13.656 -18.410 25.600 1.00 0.00 C ATOM 1427 CD1 ILE A 92 14.230 -17.812 21.822 1.00 0.00 C ATOM 0 H ILE A 92 16.913 -17.692 23.337 1.00 0.00 H new ATOM 0 HA ILE A 92 14.918 -15.984 24.556 1.00 0.00 H new ATOM 0 HB ILE A 92 15.098 -18.975 24.128 1.00 0.00 H new ATOM 0 HG12 ILE A 92 12.796 -18.643 23.135 1.00 0.00 H new ATOM 0 HG13 ILE A 92 13.028 -16.915 23.312 1.00 0.00 H new ATOM 0 HG21 ILE A 92 12.976 -19.236 25.391 1.00 0.00 H new ATOM 0 HG22 ILE A 92 14.319 -18.685 26.421 1.00 0.00 H new ATOM 0 HG23 ILE A 92 13.080 -17.527 25.879 1.00 0.00 H new ATOM 0 HD11 ILE A 92 13.489 -17.632 21.043 1.00 0.00 H new ATOM 0 HD12 ILE A 92 14.966 -17.008 21.815 1.00 0.00 H new ATOM 0 HD13 ILE A 92 14.730 -18.763 21.635 1.00 0.00 H new ATOM 1439 N GLN A 93 15.964 -16.022 26.760 1.00 0.00 N ATOM 1440 CA GLN A 93 16.322 -16.078 28.121 1.00 0.00 C ATOM 1441 C GLN A 93 15.038 -16.064 28.895 1.00 0.00 C ATOM 1442 O GLN A 93 14.287 -15.086 28.861 1.00 0.00 O ATOM 1443 CB GLN A 93 17.286 -14.958 28.512 1.00 0.00 C ATOM 1444 CG GLN A 93 18.609 -15.052 27.764 1.00 0.00 C ATOM 1445 CD GLN A 93 19.647 -14.064 28.234 1.00 0.00 C ATOM 1446 OE1 GLN A 93 19.338 -12.967 28.686 1.00 0.00 O ATOM 1447 NE2 GLN A 93 20.894 -14.447 28.127 1.00 0.00 N ATOM 0 H GLN A 93 15.600 -15.119 26.455 1.00 0.00 H new ATOM 0 HA GLN A 93 16.880 -16.987 28.347 1.00 0.00 H new ATOM 0 HB2 GLN A 93 16.822 -13.993 28.307 1.00 0.00 H new ATOM 0 HB3 GLN A 93 17.473 -15.000 29.585 1.00 0.00 H new ATOM 0 HG2 GLN A 93 19.006 -16.061 27.873 1.00 0.00 H new ATOM 0 HG3 GLN A 93 18.426 -14.895 26.701 1.00 0.00 H new ATOM 0 HE21 GLN A 93 21.114 -15.367 27.746 1.00 0.00 H new ATOM 0 HE22 GLN A 93 21.646 -13.825 28.425 1.00 0.00 H new ATOM 1456 N ALA A 94 14.776 -17.167 29.541 1.00 0.00 N ATOM 1457 CA ALA A 94 13.504 -17.433 30.192 1.00 0.00 C ATOM 1458 C ALA A 94 13.190 -16.459 31.323 1.00 0.00 C ATOM 1459 O ALA A 94 13.954 -16.354 32.305 1.00 0.00 O ATOM 1460 CB ALA A 94 13.465 -18.870 30.698 1.00 0.00 C ATOM 0 H ALA A 94 15.449 -17.928 29.637 1.00 0.00 H new ATOM 0 HA ALA A 94 12.729 -17.287 29.439 1.00 0.00 H new ATOM 0 HB1 ALA A 94 12.508 -19.059 31.184 1.00 0.00 H new ATOM 0 HB2 ALA A 94 13.587 -19.555 29.859 1.00 0.00 H new ATOM 0 HB3 ALA A 94 14.272 -19.026 31.414 1.00 0.00 H new