USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 850 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 29 TYR OH : rot 30:sc= -0.988! USER MOD Set 1.2: A 97 THR OG1 : rot -89:sc= -0.252 USER MOD Set 2.1: A 40 LYS NZ :NH3+ -168:sc= 0.306 (180deg=0) USER MOD Set 2.2: A 74 ASN : amide:sc= 0.148 K(o=0.45,f=-1.8) USER MOD Single : A 11 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0134) USER MOD Single : A 12 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.173) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -142:sc= 1.19 (180deg=0.245) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -4.36! C(o=-4.4!,f=-12!) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0.58 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 28:sc= -0.0723 USER MOD Single : A 58 GLN : amide:sc= -0.0951 X(o=-0.095,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.446 USER MOD Single : A 72 SER OG : rot 180:sc= 0.00501 USER MOD Single : A 76 LYS NZ :NH3+ 157:sc= 0.0699 (180deg=0.00585) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 81 THR OG1 : rot 74:sc= 0.244 USER MOD Single : A 83 CYS SG : rot 140:sc= -0.0684 USER MOD Single : A 87 CYS SG : rot 180:sc= -0.139 USER MOD Single : A 89 HIS : no HD1:sc= 0.646 K(o=0.65,f=-3.9!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0273) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 HIS : no HD1:sc= 0.371 K(o=0.37,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 102 N ARG A 9 5.754 8.166 -3.389 1.00 34.45 N ATOM 103 CA ARG A 9 6.830 8.758 -4.175 1.00 62.13 C ATOM 104 C ARG A 9 7.371 7.761 -5.196 1.00 2.23 C ATOM 105 O ARG A 9 6.931 6.614 -5.252 1.00 71.14 O ATOM 106 CB ARG A 9 7.960 9.228 -3.258 1.00 73.24 C ATOM 107 CG ARG A 9 7.504 10.189 -2.172 1.00 15.15 C ATOM 108 CD ARG A 9 8.666 11.004 -1.626 1.00 53.44 C ATOM 109 NE ARG A 9 9.638 10.169 -0.925 1.00 60.03 N ATOM 110 CZ ARG A 9 10.711 10.651 -0.307 1.00 45.14 C ATOM 111 NH1 ARG A 9 10.946 11.956 -0.302 1.00 14.33 N ATOM 112 NH2 ARG A 9 11.550 9.828 0.309 1.00 64.22 N ATOM 0 HA ARG A 9 6.424 9.616 -4.711 1.00 62.13 H new ATOM 0 HB2 ARG A 9 8.423 8.359 -2.791 1.00 73.24 H new ATOM 0 HB3 ARG A 9 8.728 9.713 -3.861 1.00 73.24 H new ATOM 0 HG2 ARG A 9 6.745 10.860 -2.574 1.00 15.15 H new ATOM 0 HG3 ARG A 9 7.038 9.629 -1.361 1.00 15.15 H new ATOM 0 HD2 ARG A 9 9.160 11.525 -2.446 1.00 53.44 H new ATOM 0 HD3 ARG A 9 8.286 11.767 -0.946 1.00 53.44 H new ATOM 0 HE ARG A 9 9.485 9.161 -0.909 1.00 60.03 H new ATOM 0 HH11 ARG A 9 10.302 12.592 -0.773 1.00 14.33 H new ATOM 0 HH12 ARG A 9 11.770 12.324 0.173 1.00 14.33 H new ATOM 0 HH21 ARG A 9 11.372 8.824 0.309 1.00 64.22 H new ATOM 0 HH22 ARG A 9 12.373 10.200 0.783 1.00 64.22 H new ATOM 126 N GLY A 10 8.327 8.210 -6.004 1.00 13.02 N ATOM 127 CA GLY A 10 8.911 7.345 -7.013 1.00 11.22 C ATOM 128 C GLY A 10 9.876 6.336 -6.424 1.00 72.53 C ATOM 129 O GLY A 10 9.664 5.128 -6.529 1.00 33.42 O ATOM 0 H GLY A 10 8.707 9.156 -5.978 1.00 13.02 H new ATOM 0 HA2 GLY A 10 8.116 6.818 -7.540 1.00 11.22 H new ATOM 0 HA3 GLY A 10 9.433 7.954 -7.751 1.00 11.22 H new ATOM 133 N LYS A 11 10.942 6.831 -5.803 1.00 43.10 N ATOM 134 CA LYS A 11 11.944 5.965 -5.195 1.00 42.43 C ATOM 135 C LYS A 11 11.298 4.984 -4.221 1.00 3.54 C ATOM 136 O LYS A 11 11.728 3.837 -4.103 1.00 24.11 O ATOM 137 CB LYS A 11 12.998 6.803 -4.466 1.00 64.35 C ATOM 138 CG LYS A 11 14.283 6.983 -5.254 1.00 73.34 C ATOM 139 CD LYS A 11 15.480 7.156 -4.335 1.00 74.32 C ATOM 140 CE LYS A 11 16.622 6.229 -4.726 1.00 43.53 C ATOM 141 NZ LYS A 11 16.309 4.805 -4.420 1.00 14.42 N ATOM 0 H LYS A 11 11.134 7.828 -5.708 1.00 43.10 H new ATOM 0 HA LYS A 11 12.426 5.396 -5.990 1.00 42.43 H new ATOM 0 HB2 LYS A 11 12.579 7.784 -4.242 1.00 64.35 H new ATOM 0 HB3 LYS A 11 13.230 6.330 -3.512 1.00 64.35 H new ATOM 0 HG2 LYS A 11 14.440 6.118 -5.899 1.00 73.34 H new ATOM 0 HG3 LYS A 11 14.193 7.853 -5.904 1.00 73.34 H new ATOM 0 HD2 LYS A 11 15.821 8.191 -4.371 1.00 74.32 H new ATOM 0 HD3 LYS A 11 15.182 6.954 -3.306 1.00 74.32 H new ATOM 0 HE2 LYS A 11 16.828 6.335 -5.791 1.00 43.53 H new ATOM 0 HE3 LYS A 11 17.527 6.524 -4.196 1.00 43.53 H new ATOM 0 HZ1 LYS A 11 17.161 4.225 -4.557 1.00 14.42 H new ATOM 0 HZ2 LYS A 11 15.990 4.724 -3.434 1.00 14.42 H new ATOM 0 HZ3 LYS A 11 15.557 4.470 -5.056 1.00 14.42 H new ATOM 155 N LYS A 12 10.261 5.442 -3.528 1.00 1.35 N ATOM 156 CA LYS A 12 9.552 4.604 -2.568 1.00 55.45 C ATOM 157 C LYS A 12 8.654 3.600 -3.280 1.00 64.01 C ATOM 158 O LYS A 12 8.507 2.461 -2.838 1.00 32.45 O ATOM 159 CB LYS A 12 8.717 5.472 -1.623 1.00 64.54 C ATOM 160 CG LYS A 12 9.270 5.539 -0.209 1.00 22.02 C ATOM 161 CD LYS A 12 10.479 6.455 -0.127 1.00 13.00 C ATOM 162 CE LYS A 12 11.097 6.438 1.263 1.00 31.30 C ATOM 163 NZ LYS A 12 11.702 5.115 1.584 1.00 42.03 N ATOM 0 H LYS A 12 9.893 6.389 -3.613 1.00 1.35 H new ATOM 0 HA LYS A 12 10.292 4.053 -1.988 1.00 55.45 H new ATOM 0 HB2 LYS A 12 8.657 6.482 -2.029 1.00 64.54 H new ATOM 0 HB3 LYS A 12 7.700 5.082 -1.588 1.00 64.54 H new ATOM 0 HG2 LYS A 12 8.495 5.896 0.469 1.00 22.02 H new ATOM 0 HG3 LYS A 12 9.547 4.538 0.122 1.00 22.02 H new ATOM 0 HD2 LYS A 12 11.223 6.145 -0.861 1.00 13.00 H new ATOM 0 HD3 LYS A 12 10.184 7.473 -0.383 1.00 13.00 H new ATOM 0 HE2 LYS A 12 11.861 7.213 1.331 1.00 31.30 H new ATOM 0 HE3 LYS A 12 10.333 6.678 2.003 1.00 31.30 H new ATOM 0 HZ1 LYS A 12 12.298 5.202 2.432 1.00 42.03 H new ATOM 0 HZ2 LYS A 12 10.947 4.422 1.761 1.00 42.03 H new ATOM 0 HZ3 LYS A 12 12.284 4.796 0.783 1.00 42.03 H new ATOM 177 N ALA A 13 8.055 4.029 -4.387 1.00 71.30 N ATOM 178 CA ALA A 13 7.173 3.165 -5.163 1.00 73.02 C ATOM 179 C ALA A 13 7.863 1.850 -5.513 1.00 3.44 C ATOM 180 O ALA A 13 7.234 0.793 -5.525 1.00 32.25 O ATOM 181 CB ALA A 13 6.715 3.877 -6.426 1.00 15.01 C ATOM 0 H ALA A 13 8.165 4.970 -4.766 1.00 71.30 H new ATOM 0 HA ALA A 13 6.299 2.935 -4.553 1.00 73.02 H new ATOM 0 HB1 ALA A 13 6.057 3.220 -6.996 1.00 15.01 H new ATOM 0 HB2 ALA A 13 6.176 4.785 -6.157 1.00 15.01 H new ATOM 0 HB3 ALA A 13 7.583 4.136 -7.033 1.00 15.01 H new ATOM 187 N ASP A 14 9.158 1.926 -5.800 1.00 34.20 N ATOM 188 CA ASP A 14 9.933 0.741 -6.151 1.00 22.14 C ATOM 189 C ASP A 14 9.882 -0.293 -5.032 1.00 31.20 C ATOM 190 O ASP A 14 9.373 -1.399 -5.219 1.00 51.41 O ATOM 191 CB ASP A 14 11.385 1.123 -6.443 1.00 13.41 C ATOM 192 CG ASP A 14 11.827 0.705 -7.832 1.00 60.21 C ATOM 193 OD1 ASP A 14 11.514 -0.434 -8.234 1.00 12.15 O ATOM 194 OD2 ASP A 14 12.485 1.517 -8.515 1.00 74.12 O ATOM 0 H ASP A 14 9.693 2.795 -5.797 1.00 34.20 H new ATOM 0 HA ASP A 14 9.493 0.302 -7.047 1.00 22.14 H new ATOM 0 HB2 ASP A 14 11.502 2.202 -6.337 1.00 13.41 H new ATOM 0 HB3 ASP A 14 12.036 0.658 -5.703 1.00 13.41 H new ATOM 199 N GLU A 15 10.413 0.073 -3.870 1.00 73.32 N ATOM 200 CA GLU A 15 10.429 -0.826 -2.721 1.00 2.43 C ATOM 201 C GLU A 15 9.056 -1.456 -2.503 1.00 54.41 C ATOM 202 O GLU A 15 8.948 -2.599 -2.057 1.00 51.52 O ATOM 203 CB GLU A 15 10.863 -0.072 -1.462 1.00 4.03 C ATOM 204 CG GLU A 15 12.282 -0.390 -1.021 1.00 43.42 C ATOM 205 CD GLU A 15 13.124 0.856 -0.825 1.00 70.43 C ATOM 206 OE1 GLU A 15 13.042 1.767 -1.673 1.00 2.34 O ATOM 207 OE2 GLU A 15 13.865 0.918 0.178 1.00 74.12 O ATOM 0 H GLU A 15 10.837 0.985 -3.699 1.00 73.32 H new ATOM 0 HA GLU A 15 11.146 -1.622 -2.924 1.00 2.43 H new ATOM 0 HB2 GLU A 15 10.779 1.000 -1.643 1.00 4.03 H new ATOM 0 HB3 GLU A 15 10.177 -0.312 -0.650 1.00 4.03 H new ATOM 0 HG2 GLU A 15 12.251 -0.954 -0.089 1.00 43.42 H new ATOM 0 HG3 GLU A 15 12.755 -1.031 -1.765 1.00 43.42 H new ATOM 214 N LEU A 16 8.009 -0.701 -2.821 1.00 72.21 N ATOM 215 CA LEU A 16 6.642 -1.184 -2.661 1.00 54.21 C ATOM 216 C LEU A 16 6.327 -2.277 -3.676 1.00 13.34 C ATOM 217 O LEU A 16 5.865 -3.359 -3.315 1.00 13.22 O ATOM 218 CB LEU A 16 5.651 -0.029 -2.814 1.00 12.54 C ATOM 219 CG LEU A 16 4.177 -0.377 -2.614 1.00 22.53 C ATOM 220 CD1 LEU A 16 3.577 -0.921 -3.902 1.00 72.44 C ATOM 221 CD2 LEU A 16 4.015 -1.382 -1.482 1.00 3.24 C ATOM 0 H LEU A 16 8.081 0.247 -3.191 1.00 72.21 H new ATOM 0 HA LEU A 16 6.548 -1.606 -1.660 1.00 54.21 H new ATOM 0 HB2 LEU A 16 5.919 0.750 -2.101 1.00 12.54 H new ATOM 0 HB3 LEU A 16 5.771 0.396 -3.810 1.00 12.54 H new ATOM 0 HG LEU A 16 3.642 0.534 -2.344 1.00 22.53 H new ATOM 0 HD11 LEU A 16 2.527 -1.163 -3.740 1.00 72.44 H new ATOM 0 HD12 LEU A 16 3.659 -0.170 -4.687 1.00 72.44 H new ATOM 0 HD13 LEU A 16 4.115 -1.820 -4.202 1.00 72.44 H new ATOM 0 HD21 LEU A 16 2.959 -1.618 -1.354 1.00 3.24 H new ATOM 0 HD22 LEU A 16 4.564 -2.292 -1.722 1.00 3.24 H new ATOM 0 HD23 LEU A 16 4.406 -0.956 -0.558 1.00 3.24 H new ATOM 233 N GLU A 17 6.582 -1.986 -4.949 1.00 71.51 N ATOM 234 CA GLU A 17 6.327 -2.947 -6.016 1.00 3.11 C ATOM 235 C GLU A 17 7.346 -4.083 -5.982 1.00 42.34 C ATOM 236 O GLU A 17 7.207 -5.077 -6.694 1.00 61.04 O ATOM 237 CB GLU A 17 6.369 -2.251 -7.378 1.00 24.34 C ATOM 238 CG GLU A 17 4.995 -2.028 -7.990 1.00 70.33 C ATOM 239 CD GLU A 17 5.067 -1.476 -9.400 1.00 65.44 C ATOM 240 OE1 GLU A 17 5.127 -0.237 -9.549 1.00 31.10 O ATOM 241 OE2 GLU A 17 5.063 -2.281 -10.355 1.00 71.54 O ATOM 0 H GLU A 17 6.964 -1.095 -5.265 1.00 71.51 H new ATOM 0 HA GLU A 17 5.334 -3.369 -5.860 1.00 3.11 H new ATOM 0 HB2 GLU A 17 6.870 -1.289 -7.270 1.00 24.34 H new ATOM 0 HB3 GLU A 17 6.970 -2.848 -8.063 1.00 24.34 H new ATOM 0 HG2 GLU A 17 4.449 -2.971 -8.001 1.00 70.33 H new ATOM 0 HG3 GLU A 17 4.429 -1.339 -7.363 1.00 70.33 H new ATOM 248 N ARG A 18 8.370 -3.925 -5.150 1.00 61.31 N ATOM 249 CA ARG A 18 9.414 -4.935 -5.024 1.00 64.55 C ATOM 250 C ARG A 18 8.958 -6.077 -4.120 1.00 62.42 C ATOM 251 O ARG A 18 9.320 -7.235 -4.336 1.00 4.01 O ATOM 252 CB ARG A 18 10.695 -4.310 -4.467 1.00 64.52 C ATOM 253 CG ARG A 18 11.703 -3.930 -5.539 1.00 4.04 C ATOM 254 CD ARG A 18 12.839 -3.100 -4.965 1.00 15.13 C ATOM 255 NE ARG A 18 14.118 -3.410 -5.599 1.00 74.31 N ATOM 256 CZ ARG A 18 15.219 -2.687 -5.427 1.00 51.22 C ATOM 257 NH1 ARG A 18 15.197 -1.618 -4.643 1.00 1.14 N ATOM 258 NH2 ARG A 18 16.344 -3.033 -6.038 1.00 73.41 N ATOM 0 H ARG A 18 8.499 -3.108 -4.553 1.00 61.31 H new ATOM 0 HA ARG A 18 9.617 -5.338 -6.016 1.00 64.55 H new ATOM 0 HB2 ARG A 18 10.435 -3.421 -3.893 1.00 64.52 H new ATOM 0 HB3 ARG A 18 11.160 -5.012 -3.775 1.00 64.52 H new ATOM 0 HG2 ARG A 18 12.106 -4.833 -5.997 1.00 4.04 H new ATOM 0 HG3 ARG A 18 11.203 -3.368 -6.328 1.00 4.04 H new ATOM 0 HD2 ARG A 18 12.617 -2.041 -5.096 1.00 15.13 H new ATOM 0 HD3 ARG A 18 12.913 -3.280 -3.892 1.00 15.13 H new ATOM 0 HE ARG A 18 14.168 -4.227 -6.208 1.00 74.31 H new ATOM 0 HH11 ARG A 18 14.334 -1.350 -4.171 1.00 1.14 H new ATOM 0 HH12 ARG A 18 16.043 -1.064 -4.512 1.00 1.14 H new ATOM 0 HH21 ARG A 18 16.365 -3.855 -6.641 1.00 73.41 H new ATOM 0 HH22 ARG A 18 17.189 -2.477 -5.905 1.00 73.41 H new ATOM 272 N ILE A 19 8.165 -5.744 -3.108 1.00 50.13 N ATOM 273 CA ILE A 19 7.660 -6.741 -2.173 1.00 74.55 C ATOM 274 C ILE A 19 6.743 -7.738 -2.874 1.00 42.12 C ATOM 275 O ILE A 19 5.798 -7.351 -3.560 1.00 1.04 O ATOM 276 CB ILE A 19 6.892 -6.086 -1.009 1.00 13.42 C ATOM 277 CG1 ILE A 19 7.806 -5.125 -0.245 1.00 51.40 C ATOM 278 CG2 ILE A 19 6.335 -7.149 -0.076 1.00 1.03 C ATOM 279 CD1 ILE A 19 7.089 -3.902 0.285 1.00 63.41 C ATOM 0 H ILE A 19 7.858 -4.791 -2.914 1.00 50.13 H new ATOM 0 HA ILE A 19 8.528 -7.266 -1.774 1.00 74.55 H new ATOM 0 HB ILE A 19 6.057 -5.517 -1.418 1.00 13.42 H new ATOM 0 HG12 ILE A 19 8.264 -5.657 0.589 1.00 51.40 H new ATOM 0 HG13 ILE A 19 8.615 -4.806 -0.902 1.00 51.40 H new ATOM 0 HG21 ILE A 19 5.795 -6.670 0.741 1.00 1.03 H new ATOM 0 HG22 ILE A 19 5.655 -7.798 -0.628 1.00 1.03 H new ATOM 0 HG23 ILE A 19 7.154 -7.743 0.330 1.00 1.03 H new ATOM 0 HD11 ILE A 19 7.798 -3.266 0.815 1.00 63.41 H new ATOM 0 HD12 ILE A 19 6.654 -3.347 -0.546 1.00 63.41 H new ATOM 0 HD13 ILE A 19 6.298 -4.211 0.968 1.00 63.41 H new ATOM 291 N ARG A 20 7.028 -9.024 -2.694 1.00 23.20 N ATOM 292 CA ARG A 20 6.228 -10.077 -3.309 1.00 73.02 C ATOM 293 C ARG A 20 5.103 -10.517 -2.378 1.00 63.25 C ATOM 294 O ARG A 20 5.294 -10.638 -1.167 1.00 55.13 O ATOM 295 CB ARG A 20 7.111 -11.275 -3.663 1.00 64.15 C ATOM 296 CG ARG A 20 8.016 -11.033 -4.859 1.00 12.41 C ATOM 297 CD ARG A 20 7.735 -12.021 -5.980 1.00 42.01 C ATOM 298 NE ARG A 20 8.702 -13.115 -6.002 1.00 51.20 N ATOM 299 CZ ARG A 20 9.915 -13.012 -6.533 1.00 72.20 C ATOM 300 NH1 ARG A 20 10.308 -11.872 -7.084 1.00 45.34 N ATOM 301 NH2 ARG A 20 10.739 -14.052 -6.514 1.00 42.34 N ATOM 0 H ARG A 20 7.806 -9.362 -2.128 1.00 23.20 H new ATOM 0 HA ARG A 20 5.786 -9.678 -4.222 1.00 73.02 H new ATOM 0 HB2 ARG A 20 7.725 -11.530 -2.799 1.00 64.15 H new ATOM 0 HB3 ARG A 20 6.475 -12.136 -3.868 1.00 64.15 H new ATOM 0 HG2 ARG A 20 7.873 -10.016 -5.225 1.00 12.41 H new ATOM 0 HG3 ARG A 20 9.058 -11.118 -4.551 1.00 12.41 H new ATOM 0 HD2 ARG A 20 6.731 -12.428 -5.861 1.00 42.01 H new ATOM 0 HD3 ARG A 20 7.757 -11.499 -6.937 1.00 42.01 H new ATOM 0 HE ARG A 20 8.431 -14.007 -5.587 1.00 51.20 H new ATOM 0 HH11 ARG A 20 9.678 -11.070 -7.101 1.00 45.34 H new ATOM 0 HH12 ARG A 20 11.240 -11.797 -7.491 1.00 45.34 H new ATOM 0 HH21 ARG A 20 10.441 -14.931 -6.091 1.00 42.34 H new ATOM 0 HH22 ARG A 20 11.670 -13.972 -6.922 1.00 42.34 H new ATOM 315 N LEU A 21 3.928 -10.757 -2.951 1.00 52.22 N ATOM 316 CA LEU A 21 2.771 -11.184 -2.173 1.00 65.22 C ATOM 317 C LEU A 21 3.085 -12.447 -1.376 1.00 5.24 C ATOM 318 O LEU A 21 2.545 -12.657 -0.291 1.00 23.32 O ATOM 319 CB LEU A 21 1.575 -11.434 -3.096 1.00 52.04 C ATOM 320 CG LEU A 21 0.809 -10.192 -3.553 1.00 72.21 C ATOM 321 CD1 LEU A 21 -0.228 -10.561 -4.601 1.00 63.13 C ATOM 322 CD2 LEU A 21 0.151 -9.504 -2.366 1.00 53.13 C ATOM 0 H LEU A 21 3.752 -10.663 -3.951 1.00 52.22 H new ATOM 0 HA LEU A 21 2.522 -10.387 -1.472 1.00 65.22 H new ATOM 0 HB2 LEU A 21 1.929 -11.964 -3.980 1.00 52.04 H new ATOM 0 HB3 LEU A 21 0.879 -12.098 -2.584 1.00 52.04 H new ATOM 0 HG LEU A 21 1.517 -9.496 -4.002 1.00 72.21 H new ATOM 0 HD11 LEU A 21 -0.763 -9.665 -4.914 1.00 63.13 H new ATOM 0 HD12 LEU A 21 0.268 -11.007 -5.463 1.00 63.13 H new ATOM 0 HD13 LEU A 21 -0.934 -11.276 -4.178 1.00 63.13 H new ATOM 0 HD21 LEU A 21 -0.390 -8.622 -2.710 1.00 53.13 H new ATOM 0 HD22 LEU A 21 -0.545 -10.192 -1.887 1.00 53.13 H new ATOM 0 HD23 LEU A 21 0.916 -9.204 -1.650 1.00 53.13 H new ATOM 334 N ARG A 22 3.963 -13.281 -1.923 1.00 11.01 N ATOM 335 CA ARG A 22 4.350 -14.522 -1.263 1.00 54.02 C ATOM 336 C ARG A 22 5.858 -14.736 -1.351 1.00 71.20 C ATOM 337 O ARG A 22 6.544 -14.158 -2.193 1.00 11.24 O ATOM 338 CB ARG A 22 3.618 -15.709 -1.891 1.00 21.41 C ATOM 339 CG ARG A 22 2.465 -16.229 -1.049 1.00 31.01 C ATOM 340 CD ARG A 22 1.182 -16.325 -1.859 1.00 72.45 C ATOM 341 NE ARG A 22 1.088 -17.588 -2.587 1.00 25.21 N ATOM 342 CZ ARG A 22 0.026 -17.948 -3.298 1.00 30.34 C ATOM 343 NH1 ARG A 22 -1.027 -17.147 -3.377 1.00 12.43 N ATOM 344 NH2 ARG A 22 0.015 -19.114 -3.934 1.00 74.15 N ATOM 0 H ARG A 22 4.420 -13.120 -2.821 1.00 11.01 H new ATOM 0 HA ARG A 22 4.071 -14.448 -0.212 1.00 54.02 H new ATOM 0 HB2 ARG A 22 3.238 -15.414 -2.869 1.00 21.41 H new ATOM 0 HB3 ARG A 22 4.330 -16.518 -2.056 1.00 21.41 H new ATOM 0 HG2 ARG A 22 2.719 -17.211 -0.650 1.00 31.01 H new ATOM 0 HG3 ARG A 22 2.309 -15.569 -0.196 1.00 31.01 H new ATOM 0 HD2 ARG A 22 0.325 -16.226 -1.193 1.00 72.45 H new ATOM 0 HD3 ARG A 22 1.136 -15.495 -2.565 1.00 72.45 H new ATOM 0 HE ARG A 22 1.881 -18.228 -2.547 1.00 25.21 H new ATOM 0 HH11 ARG A 22 -1.023 -16.250 -2.891 1.00 12.43 H new ATOM 0 HH12 ARG A 22 -1.841 -17.427 -3.924 1.00 12.43 H new ATOM 0 HH21 ARG A 22 0.823 -19.734 -3.876 1.00 74.15 H new ATOM 0 HH22 ARG A 22 -0.801 -19.389 -4.480 1.00 74.15 H new ATOM 358 N PRO A 23 6.389 -15.588 -0.459 1.00 3.22 N ATOM 359 CA PRO A 23 7.820 -15.897 -0.416 1.00 32.33 C ATOM 360 C PRO A 23 8.272 -16.722 -1.617 1.00 0.50 C ATOM 361 O PRO A 23 9.401 -16.583 -2.088 1.00 63.44 O ATOM 362 CB PRO A 23 7.968 -16.709 0.874 1.00 1.14 C ATOM 363 CG PRO A 23 6.624 -17.310 1.099 1.00 22.22 C ATOM 364 CD PRO A 23 5.630 -16.312 0.574 1.00 64.10 C ATOM 0 HA PRO A 23 8.432 -14.996 -0.443 1.00 32.33 H new ATOM 0 HB2 PRO A 23 8.734 -17.478 0.772 1.00 1.14 H new ATOM 0 HB3 PRO A 23 8.263 -16.074 1.710 1.00 1.14 H new ATOM 0 HG2 PRO A 23 6.531 -18.264 0.579 1.00 22.22 H new ATOM 0 HG3 PRO A 23 6.457 -17.507 2.158 1.00 22.22 H new ATOM 0 HD2 PRO A 23 4.750 -16.802 0.157 1.00 64.10 H new ATOM 0 HD3 PRO A 23 5.280 -15.642 1.359 1.00 64.10 H new ATOM 372 N GLY A 24 7.383 -17.577 -2.110 1.00 64.40 N ATOM 373 CA GLY A 24 7.709 -18.411 -3.253 1.00 2.45 C ATOM 374 C GLY A 24 6.862 -18.084 -4.468 1.00 31.34 C ATOM 375 O GLY A 24 6.751 -18.892 -5.389 1.00 45.10 O ATOM 0 H GLY A 24 6.442 -17.708 -1.739 1.00 64.40 H new ATOM 0 HA2 GLY A 24 8.762 -18.284 -3.503 1.00 2.45 H new ATOM 0 HA3 GLY A 24 7.568 -19.459 -2.987 1.00 2.45 H new ATOM 379 N GLY A 25 6.263 -16.897 -4.469 1.00 71.51 N ATOM 380 CA GLY A 25 5.428 -16.490 -5.584 1.00 11.42 C ATOM 381 C GLY A 25 6.171 -15.613 -6.573 1.00 11.01 C ATOM 382 O GLY A 25 7.392 -15.479 -6.502 1.00 74.23 O ATOM 0 H GLY A 25 6.341 -16.211 -3.718 1.00 71.51 H new ATOM 0 HA2 GLY A 25 5.055 -17.376 -6.097 1.00 11.42 H new ATOM 0 HA3 GLY A 25 4.559 -15.951 -5.206 1.00 11.42 H new ATOM 386 N LYS A 26 5.432 -15.015 -7.502 1.00 64.14 N ATOM 387 CA LYS A 26 6.027 -14.146 -8.511 1.00 60.23 C ATOM 388 C LYS A 26 5.214 -12.866 -8.674 1.00 63.24 C ATOM 389 O LYS A 26 5.461 -12.072 -9.582 1.00 21.44 O ATOM 390 CB LYS A 26 6.119 -14.878 -9.852 1.00 74.31 C ATOM 391 CG LYS A 26 7.375 -14.546 -10.640 1.00 23.14 C ATOM 392 CD LYS A 26 7.094 -14.476 -12.131 1.00 13.53 C ATOM 393 CE LYS A 26 8.382 -14.433 -12.939 1.00 34.55 C ATOM 394 NZ LYS A 26 9.061 -13.112 -12.832 1.00 22.10 N ATOM 0 H LYS A 26 4.420 -15.116 -7.577 1.00 64.14 H new ATOM 0 HA LYS A 26 7.030 -13.879 -8.179 1.00 60.23 H new ATOM 0 HB2 LYS A 26 6.086 -15.953 -9.673 1.00 74.31 H new ATOM 0 HB3 LYS A 26 5.245 -14.628 -10.454 1.00 74.31 H new ATOM 0 HG2 LYS A 26 7.778 -13.592 -10.299 1.00 23.14 H new ATOM 0 HG3 LYS A 26 8.137 -15.301 -10.447 1.00 23.14 H new ATOM 0 HD2 LYS A 26 6.503 -15.341 -12.432 1.00 13.53 H new ATOM 0 HD3 LYS A 26 6.497 -13.591 -12.349 1.00 13.53 H new ATOM 0 HE2 LYS A 26 9.055 -15.216 -12.591 1.00 34.55 H new ATOM 0 HE3 LYS A 26 8.161 -14.644 -13.985 1.00 34.55 H new ATOM 0 HZ1 LYS A 26 9.934 -13.124 -13.397 1.00 22.10 H new ATOM 0 HZ2 LYS A 26 8.429 -12.367 -13.188 1.00 22.10 H new ATOM 0 HZ3 LYS A 26 9.295 -12.921 -11.837 1.00 22.10 H new ATOM 408 N LYS A 27 4.245 -12.669 -7.786 1.00 2.34 N ATOM 409 CA LYS A 27 3.398 -11.483 -7.829 1.00 44.01 C ATOM 410 C LYS A 27 3.860 -10.446 -6.810 1.00 21.31 C ATOM 411 O LYS A 27 4.322 -10.793 -5.723 1.00 74.21 O ATOM 412 CB LYS A 27 1.940 -11.863 -7.560 1.00 2.53 C ATOM 413 CG LYS A 27 1.203 -12.357 -8.794 1.00 63.03 C ATOM 414 CD LYS A 27 0.604 -13.735 -8.570 1.00 73.44 C ATOM 415 CE LYS A 27 0.178 -14.378 -9.881 1.00 34.44 C ATOM 416 NZ LYS A 27 0.267 -15.863 -9.826 1.00 5.02 N ATOM 0 H LYS A 27 4.027 -13.316 -7.028 1.00 2.34 H new ATOM 0 HA LYS A 27 3.477 -11.047 -8.825 1.00 44.01 H new ATOM 0 HB2 LYS A 27 1.911 -12.638 -6.795 1.00 2.53 H new ATOM 0 HB3 LYS A 27 1.416 -10.997 -7.156 1.00 2.53 H new ATOM 0 HG2 LYS A 27 0.412 -11.653 -9.053 1.00 63.03 H new ATOM 0 HG3 LYS A 27 1.889 -12.391 -9.640 1.00 63.03 H new ATOM 0 HD2 LYS A 27 1.333 -14.373 -8.071 1.00 73.44 H new ATOM 0 HD3 LYS A 27 -0.257 -13.655 -7.906 1.00 73.44 H new ATOM 0 HE2 LYS A 27 -0.846 -14.084 -10.114 1.00 34.44 H new ATOM 0 HE3 LYS A 27 0.808 -14.006 -10.689 1.00 34.44 H new ATOM 0 HZ1 LYS A 27 -0.032 -16.263 -10.738 1.00 5.02 H new ATOM 0 HZ2 LYS A 27 1.249 -16.145 -9.629 1.00 5.02 H new ATOM 0 HZ3 LYS A 27 -0.354 -16.220 -9.072 1.00 5.02 H new ATOM 430 N LYS A 28 3.731 -9.173 -7.167 1.00 1.05 N ATOM 431 CA LYS A 28 4.132 -8.085 -6.284 1.00 61.33 C ATOM 432 C LYS A 28 2.932 -7.225 -5.900 1.00 34.20 C ATOM 433 O LYS A 28 1.878 -7.296 -6.532 1.00 71.14 O ATOM 434 CB LYS A 28 5.199 -7.220 -6.958 1.00 3.24 C ATOM 435 CG LYS A 28 6.565 -7.880 -7.024 1.00 54.25 C ATOM 436 CD LYS A 28 7.184 -7.746 -8.405 1.00 53.32 C ATOM 437 CE LYS A 28 7.200 -9.077 -9.140 1.00 34.32 C ATOM 438 NZ LYS A 28 5.943 -9.304 -9.904 1.00 33.32 N ATOM 0 H LYS A 28 3.351 -8.869 -8.064 1.00 1.05 H new ATOM 0 HA LYS A 28 4.548 -8.522 -5.376 1.00 61.33 H new ATOM 0 HB2 LYS A 28 4.873 -6.978 -7.969 1.00 3.24 H new ATOM 0 HB3 LYS A 28 5.286 -6.278 -6.417 1.00 3.24 H new ATOM 0 HG2 LYS A 28 7.225 -7.428 -6.283 1.00 54.25 H new ATOM 0 HG3 LYS A 28 6.473 -8.935 -6.767 1.00 54.25 H new ATOM 0 HD2 LYS A 28 6.623 -7.015 -8.987 1.00 53.32 H new ATOM 0 HD3 LYS A 28 8.202 -7.367 -8.313 1.00 53.32 H new ATOM 0 HE2 LYS A 28 8.050 -9.105 -9.822 1.00 34.32 H new ATOM 0 HE3 LYS A 28 7.340 -9.886 -8.423 1.00 34.32 H new ATOM 0 HZ1 LYS A 28 5.676 -10.307 -9.843 1.00 33.32 H new ATOM 0 HZ2 LYS A 28 5.183 -8.719 -9.503 1.00 33.32 H new ATOM 0 HZ3 LYS A 28 6.091 -9.045 -10.900 1.00 33.32 H new ATOM 452 N TYR A 29 3.101 -6.412 -4.863 1.00 2.05 N ATOM 453 CA TYR A 29 2.031 -5.539 -4.395 1.00 10.32 C ATOM 454 C TYR A 29 1.675 -4.500 -5.454 1.00 50.51 C ATOM 455 O TYR A 29 2.533 -4.051 -6.214 1.00 35.12 O ATOM 456 CB TYR A 29 2.445 -4.840 -3.099 1.00 61.22 C ATOM 457 CG TYR A 29 2.147 -5.648 -1.855 1.00 75.20 C ATOM 458 CD1 TYR A 29 0.848 -5.773 -1.379 1.00 74.32 C ATOM 459 CD2 TYR A 29 3.166 -6.285 -1.157 1.00 65.12 C ATOM 460 CE1 TYR A 29 0.572 -6.509 -0.243 1.00 64.23 C ATOM 461 CE2 TYR A 29 2.899 -7.024 -0.021 1.00 62.03 C ATOM 462 CZ TYR A 29 1.600 -7.134 0.433 1.00 12.41 C ATOM 463 OH TYR A 29 1.330 -7.867 1.565 1.00 33.22 O ATOM 0 H TYR A 29 3.968 -6.339 -4.331 1.00 2.05 H new ATOM 0 HA TYR A 29 1.152 -6.154 -4.204 1.00 10.32 H new ATOM 0 HB2 TYR A 29 3.513 -4.626 -3.136 1.00 61.22 H new ATOM 0 HB3 TYR A 29 1.930 -3.882 -3.032 1.00 61.22 H new ATOM 0 HD1 TYR A 29 0.040 -5.287 -1.906 1.00 74.32 H new ATOM 0 HD2 TYR A 29 4.184 -6.201 -1.509 1.00 65.12 H new ATOM 0 HE1 TYR A 29 -0.444 -6.595 0.114 1.00 64.23 H new ATOM 0 HE2 TYR A 29 3.703 -7.513 0.509 1.00 62.03 H new ATOM 0 HH TYR A 29 0.428 -8.246 1.502 1.00 33.22 H new ATOM 473 N ARG A 30 0.402 -4.120 -5.495 1.00 5.24 N ATOM 474 CA ARG A 30 -0.070 -3.134 -6.460 1.00 4.04 C ATOM 475 C ARG A 30 -1.279 -2.376 -5.917 1.00 32.41 C ATOM 476 O ARG A 30 -1.837 -2.739 -4.880 1.00 44.02 O ATOM 477 CB ARG A 30 -0.434 -3.814 -7.781 1.00 73.13 C ATOM 478 CG ARG A 30 0.319 -3.260 -8.979 1.00 1.22 C ATOM 479 CD ARG A 30 1.142 -4.337 -9.668 1.00 42.40 C ATOM 480 NE ARG A 30 1.734 -3.861 -10.916 1.00 44.44 N ATOM 481 CZ ARG A 30 1.038 -3.662 -12.030 1.00 40.11 C ATOM 482 NH1 ARG A 30 -0.267 -3.898 -12.052 1.00 52.15 N ATOM 483 NH2 ARG A 30 1.648 -3.226 -13.125 1.00 34.42 N ATOM 0 H ARG A 30 -0.321 -4.480 -4.872 1.00 5.24 H new ATOM 0 HA ARG A 30 0.736 -2.421 -6.636 1.00 4.04 H new ATOM 0 HB2 ARG A 30 -0.232 -4.882 -7.698 1.00 73.13 H new ATOM 0 HB3 ARG A 30 -1.505 -3.705 -7.953 1.00 73.13 H new ATOM 0 HG2 ARG A 30 -0.389 -2.832 -9.689 1.00 1.22 H new ATOM 0 HG3 ARG A 30 0.974 -2.451 -8.656 1.00 1.22 H new ATOM 0 HD2 ARG A 30 1.933 -4.673 -8.997 1.00 42.40 H new ATOM 0 HD3 ARG A 30 0.509 -5.201 -9.873 1.00 42.40 H new ATOM 0 HE ARG A 30 2.736 -3.671 -10.933 1.00 44.44 H new ATOM 0 HH11 ARG A 30 -0.739 -4.233 -11.212 1.00 52.15 H new ATOM 0 HH12 ARG A 30 -0.799 -3.744 -12.909 1.00 52.15 H new ATOM 0 HH21 ARG A 30 2.651 -3.044 -13.111 1.00 34.42 H new ATOM 0 HH22 ARG A 30 1.113 -3.073 -13.980 1.00 34.42 H new ATOM 497 N LEU A 31 -1.677 -1.324 -6.622 1.00 43.52 N ATOM 498 CA LEU A 31 -2.819 -0.514 -6.211 1.00 70.44 C ATOM 499 C LEU A 31 -4.036 -1.391 -5.937 1.00 44.50 C ATOM 500 O LEU A 31 -4.850 -1.087 -5.064 1.00 73.21 O ATOM 501 CB LEU A 31 -3.151 0.518 -7.289 1.00 42.22 C ATOM 502 CG LEU A 31 -1.998 1.419 -7.734 1.00 44.33 C ATOM 503 CD1 LEU A 31 -2.231 1.922 -9.150 1.00 10.54 C ATOM 504 CD2 LEU A 31 -1.832 2.587 -6.772 1.00 22.00 C ATOM 0 H LEU A 31 -1.226 -1.011 -7.482 1.00 43.52 H new ATOM 0 HA LEU A 31 -2.554 0.005 -5.290 1.00 70.44 H new ATOM 0 HB2 LEU A 31 -3.532 -0.009 -8.164 1.00 42.22 H new ATOM 0 HB3 LEU A 31 -3.959 1.151 -6.921 1.00 42.22 H new ATOM 0 HG LEU A 31 -1.079 0.833 -7.724 1.00 44.33 H new ATOM 0 HD11 LEU A 31 -1.401 2.562 -9.450 1.00 10.54 H new ATOM 0 HD12 LEU A 31 -2.300 1.074 -9.831 1.00 10.54 H new ATOM 0 HD13 LEU A 31 -3.159 2.492 -9.185 1.00 10.54 H new ATOM 0 HD21 LEU A 31 -1.007 3.218 -7.104 1.00 22.00 H new ATOM 0 HD22 LEU A 31 -2.751 3.173 -6.749 1.00 22.00 H new ATOM 0 HD23 LEU A 31 -1.619 2.208 -5.773 1.00 22.00 H new ATOM 516 N LYS A 32 -4.156 -2.481 -6.688 1.00 2.11 N ATOM 517 CA LYS A 32 -5.272 -3.405 -6.525 1.00 41.04 C ATOM 518 C LYS A 32 -5.415 -3.834 -5.068 1.00 50.01 C ATOM 519 O LYS A 32 -6.518 -3.848 -4.520 1.00 73.33 O ATOM 520 CB LYS A 32 -5.077 -4.635 -7.413 1.00 35.14 C ATOM 521 CG LYS A 32 -5.643 -4.470 -8.813 1.00 31.51 C ATOM 522 CD LYS A 32 -6.739 -5.485 -9.094 1.00 43.32 C ATOM 523 CE LYS A 32 -7.820 -4.903 -9.992 1.00 42.33 C ATOM 524 NZ LYS A 32 -7.345 -4.735 -11.393 1.00 30.11 N ATOM 0 H LYS A 32 -3.493 -2.746 -7.416 1.00 2.11 H new ATOM 0 HA LYS A 32 -6.184 -2.889 -6.825 1.00 41.04 H new ATOM 0 HB2 LYS A 32 -4.012 -4.856 -7.484 1.00 35.14 H new ATOM 0 HB3 LYS A 32 -5.550 -5.495 -6.938 1.00 35.14 H new ATOM 0 HG2 LYS A 32 -6.041 -3.462 -8.929 1.00 31.51 H new ATOM 0 HG3 LYS A 32 -4.844 -4.584 -9.545 1.00 31.51 H new ATOM 0 HD2 LYS A 32 -6.307 -6.367 -9.567 1.00 43.32 H new ATOM 0 HD3 LYS A 32 -7.183 -5.813 -8.154 1.00 43.32 H new ATOM 0 HE2 LYS A 32 -8.693 -5.556 -9.980 1.00 42.33 H new ATOM 0 HE3 LYS A 32 -8.139 -3.938 -9.598 1.00 42.33 H new ATOM 0 HZ1 LYS A 32 -8.110 -4.336 -11.974 1.00 30.11 H new ATOM 0 HZ2 LYS A 32 -6.528 -4.092 -11.408 1.00 30.11 H new ATOM 0 HZ3 LYS A 32 -7.065 -5.660 -11.778 1.00 30.11 H new ATOM 538 N HIS A 33 -4.293 -4.183 -4.445 1.00 2.32 N ATOM 539 CA HIS A 33 -4.293 -4.610 -3.051 1.00 50.11 C ATOM 540 C HIS A 33 -4.661 -3.451 -2.128 1.00 34.04 C ATOM 541 O HIS A 33 -5.226 -3.729 -1.070 1.00 53.12 O ATOM 542 CB HIS A 33 -2.921 -5.168 -2.666 1.00 43.54 C ATOM 543 CG HIS A 33 -2.450 -6.270 -3.564 1.00 0.41 C ATOM 544 ND1 HIS A 33 -1.334 -6.161 -4.366 1.00 1.34 N ATOM 545 CD2 HIS A 33 -2.949 -7.508 -3.784 1.00 65.21 C ATOM 546 CE1 HIS A 33 -1.168 -7.284 -5.041 1.00 12.23 C ATOM 547 NE2 HIS A 33 -2.136 -8.119 -4.705 1.00 54.34 N ATOM 0 H HIS A 33 -3.372 -4.178 -4.884 1.00 2.32 H new ATOM 0 HA HIS A 33 -5.041 -5.395 -2.937 1.00 50.11 H new ATOM 0 HB2 HIS A 33 -2.191 -4.359 -2.683 1.00 43.54 H new ATOM 0 HB3 HIS A 33 -2.963 -5.538 -1.641 1.00 43.54 H new ATOM 0 HD2 HIS A 33 -3.825 -7.936 -3.320 1.00 65.21 H new ATOM 0 HE1 HIS A 33 -0.376 -7.486 -5.747 1.00 12.23 H new ATOM 0 HE2 HIS A 33 -2.259 -9.063 -5.071 1.00 54.34 H new ATOM 555 N ILE A 34 -4.366 -2.207 -2.487 1.00 43.13 N ATOM 556 CA ILE A 34 -4.699 -1.069 -1.638 1.00 1.03 C ATOM 557 C ILE A 34 -6.203 -0.820 -1.618 1.00 3.02 C ATOM 558 O ILE A 34 -6.769 -0.455 -0.587 1.00 21.42 O ATOM 559 CB ILE A 34 -3.985 0.213 -2.108 1.00 35.55 C ATOM 560 CG1 ILE A 34 -2.515 -0.082 -2.417 1.00 13.22 C ATOM 561 CG2 ILE A 34 -4.102 1.302 -1.054 1.00 71.13 C ATOM 562 CD1 ILE A 34 -1.717 1.150 -2.788 1.00 21.44 C ATOM 0 H ILE A 34 -3.898 -1.961 -3.359 1.00 43.13 H new ATOM 0 HA ILE A 34 -4.360 -1.316 -0.632 1.00 1.03 H new ATOM 0 HB ILE A 34 -4.466 0.566 -3.020 1.00 35.55 H new ATOM 0 HG12 ILE A 34 -2.057 -0.554 -1.548 1.00 13.22 H new ATOM 0 HG13 ILE A 34 -2.461 -0.800 -3.235 1.00 13.22 H new ATOM 0 HG21 ILE A 34 -3.592 2.201 -1.401 1.00 71.13 H new ATOM 0 HG22 ILE A 34 -5.154 1.526 -0.878 1.00 71.13 H new ATOM 0 HG23 ILE A 34 -3.643 0.961 -0.126 1.00 71.13 H new ATOM 0 HD11 ILE A 34 -0.685 0.867 -2.994 1.00 21.44 H new ATOM 0 HD12 ILE A 34 -2.151 1.611 -3.676 1.00 21.44 H new ATOM 0 HD13 ILE A 34 -1.740 1.861 -1.962 1.00 21.44 H new ATOM 574 N VAL A 35 -6.846 -1.020 -2.764 1.00 22.22 N ATOM 575 CA VAL A 35 -8.286 -0.820 -2.877 1.00 24.24 C ATOM 576 C VAL A 35 -9.050 -1.822 -2.018 1.00 75.01 C ATOM 577 O VAL A 35 -9.901 -1.442 -1.213 1.00 32.55 O ATOM 578 CB VAL A 35 -8.757 -0.950 -4.339 1.00 60.53 C ATOM 579 CG1 VAL A 35 -10.267 -0.786 -4.429 1.00 20.44 C ATOM 580 CG2 VAL A 35 -8.048 0.067 -5.219 1.00 21.31 C ATOM 0 H VAL A 35 -6.393 -1.320 -3.627 1.00 22.22 H new ATOM 0 HA VAL A 35 -8.494 0.190 -2.523 1.00 24.24 H new ATOM 0 HB VAL A 35 -8.502 -1.947 -4.698 1.00 60.53 H new ATOM 0 HG11 VAL A 35 -10.582 -0.881 -5.468 1.00 20.44 H new ATOM 0 HG12 VAL A 35 -10.753 -1.557 -3.831 1.00 20.44 H new ATOM 0 HG13 VAL A 35 -10.549 0.197 -4.052 1.00 20.44 H new ATOM 0 HG21 VAL A 35 -8.393 -0.039 -6.248 1.00 21.31 H new ATOM 0 HG22 VAL A 35 -8.270 1.073 -4.864 1.00 21.31 H new ATOM 0 HG23 VAL A 35 -6.972 -0.103 -5.177 1.00 21.31 H new ATOM 590 N TRP A 36 -8.738 -3.101 -2.193 1.00 31.20 N ATOM 591 CA TRP A 36 -9.395 -4.158 -1.433 1.00 30.50 C ATOM 592 C TRP A 36 -9.160 -3.979 0.063 1.00 64.42 C ATOM 593 O TRP A 36 -9.977 -4.397 0.884 1.00 0.22 O ATOM 594 CB TRP A 36 -8.886 -5.529 -1.881 1.00 74.12 C ATOM 595 CG TRP A 36 -9.564 -6.671 -1.186 1.00 13.31 C ATOM 596 CD1 TRP A 36 -10.600 -7.422 -1.663 1.00 74.00 C ATOM 597 CD2 TRP A 36 -9.254 -7.190 0.112 1.00 43.20 C ATOM 598 NE1 TRP A 36 -10.953 -8.376 -0.740 1.00 41.34 N ATOM 599 CE2 TRP A 36 -10.142 -8.255 0.358 1.00 74.04 C ATOM 600 CE3 TRP A 36 -8.312 -6.859 1.090 1.00 74.34 C ATOM 601 CZ2 TRP A 36 -10.114 -8.989 1.541 1.00 21.54 C ATOM 602 CZ3 TRP A 36 -8.285 -7.588 2.264 1.00 25.11 C ATOM 603 CH2 TRP A 36 -9.181 -8.643 2.481 1.00 23.14 C ATOM 0 H TRP A 36 -8.035 -3.431 -2.854 1.00 31.20 H new ATOM 0 HA TRP A 36 -10.466 -4.096 -1.624 1.00 30.50 H new ATOM 0 HB2 TRP A 36 -9.032 -5.629 -2.956 1.00 74.12 H new ATOM 0 HB3 TRP A 36 -7.813 -5.588 -1.699 1.00 74.12 H new ATOM 0 HD1 TRP A 36 -11.072 -7.286 -2.625 1.00 74.00 H new ATOM 0 HE1 TRP A 36 -11.698 -9.063 -0.853 1.00 41.34 H new ATOM 0 HE3 TRP A 36 -7.617 -6.048 0.931 1.00 74.34 H new ATOM 0 HZ2 TRP A 36 -10.804 -9.802 1.711 1.00 21.54 H new ATOM 0 HZ3 TRP A 36 -7.561 -7.340 3.027 1.00 25.11 H new ATOM 0 HH2 TRP A 36 -9.135 -9.194 3.409 1.00 23.14 H new ATOM 614 N ALA A 37 -8.039 -3.355 0.411 1.00 42.21 N ATOM 615 CA ALA A 37 -7.699 -3.119 1.809 1.00 72.41 C ATOM 616 C ALA A 37 -8.546 -1.996 2.398 1.00 0.13 C ATOM 617 O ALA A 37 -9.132 -2.145 3.469 1.00 55.33 O ATOM 618 CB ALA A 37 -6.218 -2.792 1.943 1.00 63.54 C ATOM 0 H ALA A 37 -7.351 -3.004 -0.256 1.00 42.21 H new ATOM 0 HA ALA A 37 -7.911 -4.030 2.368 1.00 72.41 H new ATOM 0 HB1 ALA A 37 -5.977 -2.618 2.992 1.00 63.54 H new ATOM 0 HB2 ALA A 37 -5.626 -3.627 1.568 1.00 63.54 H new ATOM 0 HB3 ALA A 37 -5.989 -1.897 1.365 1.00 63.54 H new ATOM 624 N ALA A 38 -8.605 -0.872 1.691 1.00 20.23 N ATOM 625 CA ALA A 38 -9.381 0.275 2.144 1.00 2.14 C ATOM 626 C ALA A 38 -10.872 -0.045 2.165 1.00 44.24 C ATOM 627 O ALA A 38 -11.590 0.360 3.078 1.00 63.02 O ATOM 628 CB ALA A 38 -9.111 1.479 1.255 1.00 14.21 C ATOM 0 H ALA A 38 -8.124 -0.732 0.802 1.00 20.23 H new ATOM 0 HA ALA A 38 -9.072 0.512 3.162 1.00 2.14 H new ATOM 0 HB1 ALA A 38 -9.697 2.329 1.605 1.00 14.21 H new ATOM 0 HB2 ALA A 38 -8.051 1.729 1.294 1.00 14.21 H new ATOM 0 HB3 ALA A 38 -9.391 1.243 0.228 1.00 14.21 H new ATOM 634 N ASN A 39 -11.331 -0.772 1.152 1.00 24.22 N ATOM 635 CA ASN A 39 -12.738 -1.145 1.054 1.00 30.13 C ATOM 636 C ASN A 39 -13.210 -1.825 2.335 1.00 71.13 C ATOM 637 O ASN A 39 -14.368 -1.688 2.734 1.00 34.23 O ATOM 638 CB ASN A 39 -12.959 -2.074 -0.141 1.00 60.20 C ATOM 639 CG ASN A 39 -14.328 -2.725 -0.122 1.00 22.30 C ATOM 640 OD1 ASN A 39 -15.351 -2.044 -0.053 1.00 71.35 O ATOM 641 ND2 ASN A 39 -14.353 -4.052 -0.184 1.00 54.15 N ATOM 0 H ASN A 39 -10.750 -1.115 0.387 1.00 24.22 H new ATOM 0 HA ASN A 39 -13.321 -0.235 0.910 1.00 30.13 H new ATOM 0 HB2 ASN A 39 -12.842 -1.507 -1.065 1.00 60.20 H new ATOM 0 HB3 ASN A 39 -12.192 -2.848 -0.143 1.00 60.20 H new ATOM 0 HD21 ASN A 39 -15.245 -4.546 -0.175 1.00 54.15 H new ATOM 0 HD22 ASN A 39 -13.480 -4.576 -0.240 1.00 54.15 H new ATOM 648 N LYS A 40 -12.307 -2.558 2.977 1.00 73.34 N ATOM 649 CA LYS A 40 -12.630 -3.259 4.215 1.00 34.13 C ATOM 650 C LYS A 40 -12.713 -2.285 5.386 1.00 24.05 C ATOM 651 O LYS A 40 -13.525 -2.461 6.296 1.00 4.25 O ATOM 652 CB LYS A 40 -11.578 -4.332 4.506 1.00 32.12 C ATOM 653 CG LYS A 40 -12.138 -5.745 4.517 1.00 13.43 C ATOM 654 CD LYS A 40 -12.756 -6.110 3.178 1.00 63.44 C ATOM 655 CE LYS A 40 -13.269 -7.542 3.174 1.00 43.04 C ATOM 656 NZ LYS A 40 -14.733 -7.608 3.439 1.00 51.33 N ATOM 0 H LYS A 40 -11.345 -2.682 2.661 1.00 73.34 H new ATOM 0 HA LYS A 40 -13.603 -3.735 4.091 1.00 34.13 H new ATOM 0 HB2 LYS A 40 -10.789 -4.268 3.756 1.00 32.12 H new ATOM 0 HB3 LYS A 40 -11.117 -4.125 5.472 1.00 32.12 H new ATOM 0 HG2 LYS A 40 -11.343 -6.451 4.756 1.00 13.43 H new ATOM 0 HG3 LYS A 40 -12.889 -5.834 5.302 1.00 13.43 H new ATOM 0 HD2 LYS A 40 -13.577 -5.428 2.956 1.00 63.44 H new ATOM 0 HD3 LYS A 40 -12.016 -5.985 2.388 1.00 63.44 H new ATOM 0 HE2 LYS A 40 -13.053 -8.002 2.210 1.00 43.04 H new ATOM 0 HE3 LYS A 40 -12.737 -8.120 3.929 1.00 43.04 H new ATOM 0 HZ1 LYS A 40 -15.007 -8.593 3.630 1.00 51.33 H new ATOM 0 HZ2 LYS A 40 -14.963 -7.019 4.264 1.00 51.33 H new ATOM 0 HZ3 LYS A 40 -15.252 -7.259 2.608 1.00 51.33 H new ATOM 670 N LEU A 41 -11.872 -1.258 5.356 1.00 40.40 N ATOM 671 CA LEU A 41 -11.853 -0.254 6.415 1.00 2.22 C ATOM 672 C LEU A 41 -13.190 0.476 6.498 1.00 1.13 C ATOM 673 O LEU A 41 -13.835 0.492 7.546 1.00 0.40 O ATOM 674 CB LEU A 41 -10.725 0.750 6.171 1.00 43.33 C ATOM 675 CG LEU A 41 -9.302 0.207 6.303 1.00 71.33 C ATOM 676 CD1 LEU A 41 -8.287 1.257 5.881 1.00 43.23 C ATOM 677 CD2 LEU A 41 -9.036 -0.251 7.731 1.00 2.54 C ATOM 0 H LEU A 41 -11.194 -1.098 4.611 1.00 40.40 H new ATOM 0 HA LEU A 41 -11.680 -0.764 7.363 1.00 2.22 H new ATOM 0 HB2 LEU A 41 -10.843 1.162 5.169 1.00 43.33 H new ATOM 0 HB3 LEU A 41 -10.843 1.576 6.872 1.00 43.33 H new ATOM 0 HG LEU A 41 -9.200 -0.653 5.641 1.00 71.33 H new ATOM 0 HD11 LEU A 41 -7.280 0.851 5.982 1.00 43.23 H new ATOM 0 HD12 LEU A 41 -8.463 1.536 4.842 1.00 43.23 H new ATOM 0 HD13 LEU A 41 -8.389 2.137 6.516 1.00 43.23 H new ATOM 0 HD21 LEU A 41 -8.018 -0.635 7.807 1.00 2.54 H new ATOM 0 HD22 LEU A 41 -9.158 0.591 8.412 1.00 2.54 H new ATOM 0 HD23 LEU A 41 -9.741 -1.038 7.998 1.00 2.54 H new ATOM 689 N ASP A 42 -13.600 1.076 5.385 1.00 72.32 N ATOM 690 CA ASP A 42 -14.862 1.804 5.331 1.00 41.14 C ATOM 691 C ASP A 42 -16.008 0.947 5.857 1.00 70.44 C ATOM 692 O ASP A 42 -16.804 1.394 6.684 1.00 13.10 O ATOM 693 CB ASP A 42 -15.158 2.249 3.898 1.00 35.40 C ATOM 694 CG ASP A 42 -15.366 3.746 3.787 1.00 15.42 C ATOM 695 OD1 ASP A 42 -14.663 4.497 4.497 1.00 65.23 O ATOM 696 OD2 ASP A 42 -16.230 4.169 2.991 1.00 11.40 O ATOM 0 H ASP A 42 -13.077 1.072 4.509 1.00 72.32 H new ATOM 0 HA ASP A 42 -14.771 2.685 5.966 1.00 41.14 H new ATOM 0 HB2 ASP A 42 -14.333 1.951 3.251 1.00 35.40 H new ATOM 0 HB3 ASP A 42 -16.048 1.734 3.537 1.00 35.40 H new ATOM 701 N ARG A 43 -16.087 -0.288 5.372 1.00 64.44 N ATOM 702 CA ARG A 43 -17.137 -1.208 5.792 1.00 41.12 C ATOM 703 C ARG A 43 -17.016 -1.529 7.279 1.00 61.34 C ATOM 704 O ARG A 43 -17.944 -1.295 8.053 1.00 61.04 O ATOM 705 CB ARG A 43 -17.071 -2.499 4.974 1.00 1.25 C ATOM 706 CG ARG A 43 -18.248 -3.432 5.211 1.00 74.03 C ATOM 707 CD ARG A 43 -17.787 -4.795 5.702 1.00 22.13 C ATOM 708 NE ARG A 43 -18.901 -5.730 5.843 1.00 32.13 N ATOM 709 CZ ARG A 43 -18.757 -6.989 6.244 1.00 71.10 C ATOM 710 NH1 ARG A 43 -17.554 -7.459 6.542 1.00 70.22 N ATOM 711 NH2 ARG A 43 -19.818 -7.779 6.347 1.00 52.21 N ATOM 0 H ARG A 43 -15.436 -0.674 4.688 1.00 64.44 H new ATOM 0 HA ARG A 43 -18.099 -0.725 5.619 1.00 41.12 H new ATOM 0 HB2 ARG A 43 -17.027 -2.246 3.915 1.00 1.25 H new ATOM 0 HB3 ARG A 43 -16.147 -3.025 5.215 1.00 1.25 H new ATOM 0 HG2 ARG A 43 -18.923 -2.989 5.943 1.00 74.03 H new ATOM 0 HG3 ARG A 43 -18.813 -3.549 4.286 1.00 74.03 H new ATOM 0 HD2 ARG A 43 -17.056 -5.204 5.004 1.00 22.13 H new ATOM 0 HD3 ARG A 43 -17.283 -4.683 6.662 1.00 22.13 H new ATOM 0 HE ARG A 43 -19.840 -5.399 5.622 1.00 32.13 H new ATOM 0 HH11 ARG A 43 -16.736 -6.854 6.464 1.00 70.22 H new ATOM 0 HH12 ARG A 43 -17.446 -8.425 6.850 1.00 70.22 H new ATOM 0 HH21 ARG A 43 -20.745 -7.420 6.118 1.00 52.21 H new ATOM 0 HH22 ARG A 43 -19.707 -8.745 6.655 1.00 52.21 H new ATOM 725 N PHE A 44 -15.867 -2.068 7.671 1.00 20.53 N ATOM 726 CA PHE A 44 -15.624 -2.424 9.065 1.00 3.04 C ATOM 727 C PHE A 44 -15.982 -1.265 9.991 1.00 75.34 C ATOM 728 O PHE A 44 -16.657 -1.450 11.002 1.00 3.41 O ATOM 729 CB PHE A 44 -14.160 -2.820 9.265 1.00 22.24 C ATOM 730 CG PHE A 44 -13.895 -4.278 9.019 1.00 14.45 C ATOM 731 CD1 PHE A 44 -14.627 -5.250 9.679 1.00 73.50 C ATOM 732 CD2 PHE A 44 -12.912 -4.675 8.126 1.00 34.21 C ATOM 733 CE1 PHE A 44 -14.384 -6.592 9.455 1.00 13.31 C ATOM 734 CE2 PHE A 44 -12.665 -6.016 7.897 1.00 54.54 C ATOM 735 CZ PHE A 44 -13.403 -6.975 8.562 1.00 35.04 C ATOM 0 H PHE A 44 -15.088 -2.268 7.043 1.00 20.53 H new ATOM 0 HA PHE A 44 -16.259 -3.274 9.314 1.00 3.04 H new ATOM 0 HB2 PHE A 44 -13.537 -2.227 8.595 1.00 22.24 H new ATOM 0 HB3 PHE A 44 -13.860 -2.571 10.283 1.00 22.24 H new ATOM 0 HD1 PHE A 44 -15.397 -4.956 10.377 1.00 73.50 H new ATOM 0 HD2 PHE A 44 -12.333 -3.928 7.603 1.00 34.21 H new ATOM 0 HE1 PHE A 44 -14.961 -7.340 9.978 1.00 13.31 H new ATOM 0 HE2 PHE A 44 -11.896 -6.313 7.199 1.00 54.54 H new ATOM 0 HZ PHE A 44 -13.213 -8.023 8.384 1.00 35.04 H new ATOM 745 N GLY A 45 -15.520 -0.069 9.637 1.00 72.45 N ATOM 746 CA GLY A 45 -15.799 1.102 10.447 1.00 52.24 C ATOM 747 C GLY A 45 -14.622 2.055 10.514 1.00 2.43 C ATOM 748 O GLY A 45 -14.744 3.170 11.025 1.00 21.03 O ATOM 0 H GLY A 45 -14.958 0.109 8.805 1.00 72.45 H new ATOM 0 HA2 GLY A 45 -16.663 1.625 10.038 1.00 52.24 H new ATOM 0 HA3 GLY A 45 -16.065 0.787 11.456 1.00 52.24 H new ATOM 752 N LEU A 46 -13.479 1.618 9.998 1.00 12.22 N ATOM 753 CA LEU A 46 -12.274 2.440 10.001 1.00 40.21 C ATOM 754 C LEU A 46 -12.192 3.292 8.739 1.00 22.23 C ATOM 755 O LEU A 46 -12.907 3.049 7.767 1.00 40.41 O ATOM 756 CB LEU A 46 -11.030 1.556 10.115 1.00 20.20 C ATOM 757 CG LEU A 46 -10.835 0.841 11.453 1.00 45.52 C ATOM 758 CD1 LEU A 46 -10.566 -0.639 11.233 1.00 2.34 C ATOM 759 CD2 LEU A 46 -9.699 1.480 12.238 1.00 3.41 C ATOM 0 H LEU A 46 -13.361 0.699 9.572 1.00 12.22 H new ATOM 0 HA LEU A 46 -12.320 3.105 10.863 1.00 40.21 H new ATOM 0 HB2 LEU A 46 -11.069 0.804 9.327 1.00 20.20 H new ATOM 0 HB3 LEU A 46 -10.152 2.173 9.924 1.00 20.20 H new ATOM 0 HG LEU A 46 -11.752 0.940 12.033 1.00 45.52 H new ATOM 0 HD11 LEU A 46 -10.430 -1.131 12.196 1.00 2.34 H new ATOM 0 HD12 LEU A 46 -11.411 -1.089 10.712 1.00 2.34 H new ATOM 0 HD13 LEU A 46 -9.664 -0.760 10.633 1.00 2.34 H new ATOM 0 HD21 LEU A 46 -9.574 0.959 13.187 1.00 3.41 H new ATOM 0 HD22 LEU A 46 -8.776 1.412 11.663 1.00 3.41 H new ATOM 0 HD23 LEU A 46 -9.932 2.528 12.427 1.00 3.41 H new ATOM 771 N ALA A 47 -11.314 4.289 8.760 1.00 51.41 N ATOM 772 CA ALA A 47 -11.135 5.175 7.615 1.00 71.41 C ATOM 773 C ALA A 47 -9.931 4.755 6.779 1.00 73.25 C ATOM 774 O ALA A 47 -9.105 3.957 7.222 1.00 12.21 O ATOM 775 CB ALA A 47 -10.981 6.615 8.082 1.00 12.12 C ATOM 0 H ALA A 47 -10.715 4.504 9.557 1.00 51.41 H new ATOM 0 HA ALA A 47 -12.023 5.102 6.987 1.00 71.41 H new ATOM 0 HB1 ALA A 47 -10.848 7.266 7.218 1.00 12.12 H new ATOM 0 HB2 ALA A 47 -11.874 6.917 8.630 1.00 12.12 H new ATOM 0 HB3 ALA A 47 -10.111 6.695 8.734 1.00 12.12 H new ATOM 781 N GLU A 48 -9.839 5.297 5.570 1.00 14.02 N ATOM 782 CA GLU A 48 -8.735 4.977 4.672 1.00 32.42 C ATOM 783 C GLU A 48 -7.530 5.871 4.950 1.00 34.40 C ATOM 784 O GLU A 48 -6.418 5.591 4.499 1.00 64.15 O ATOM 785 CB GLU A 48 -9.172 5.132 3.214 1.00 21.01 C ATOM 786 CG GLU A 48 -9.472 6.568 2.818 1.00 42.33 C ATOM 787 CD GLU A 48 -8.655 7.027 1.625 1.00 24.30 C ATOM 788 OE1 GLU A 48 -8.755 6.389 0.556 1.00 43.14 O ATOM 789 OE2 GLU A 48 -7.916 8.024 1.761 1.00 43.44 O ATOM 0 H GLU A 48 -10.515 5.959 5.189 1.00 14.02 H new ATOM 0 HA GLU A 48 -8.446 3.941 4.849 1.00 32.42 H new ATOM 0 HB2 GLU A 48 -8.388 4.741 2.565 1.00 21.01 H new ATOM 0 HB3 GLU A 48 -10.060 4.524 3.043 1.00 21.01 H new ATOM 0 HG2 GLU A 48 -10.533 6.663 2.585 1.00 42.33 H new ATOM 0 HG3 GLU A 48 -9.272 7.224 3.665 1.00 42.33 H new ATOM 796 N SER A 49 -7.759 6.947 5.696 1.00 31.23 N ATOM 797 CA SER A 49 -6.694 7.885 6.031 1.00 73.25 C ATOM 798 C SER A 49 -5.681 7.242 6.975 1.00 54.32 C ATOM 799 O SER A 49 -4.599 7.783 7.205 1.00 33.11 O ATOM 800 CB SER A 49 -7.278 9.144 6.674 1.00 3.04 C ATOM 801 OG SER A 49 -8.352 9.657 5.905 1.00 45.04 O ATOM 0 H SER A 49 -8.672 7.191 6.080 1.00 31.23 H new ATOM 0 HA SER A 49 -6.182 8.160 5.109 1.00 73.25 H new ATOM 0 HB2 SER A 49 -7.625 8.914 7.681 1.00 3.04 H new ATOM 0 HB3 SER A 49 -6.500 9.902 6.770 1.00 3.04 H new ATOM 0 HG SER A 49 -8.709 10.460 6.337 1.00 45.04 H new ATOM 807 N LEU A 50 -6.041 6.085 7.519 1.00 31.44 N ATOM 808 CA LEU A 50 -5.165 5.366 8.438 1.00 34.12 C ATOM 809 C LEU A 50 -4.195 4.468 7.676 1.00 51.21 C ATOM 810 O LEU A 50 -3.411 3.733 8.277 1.00 14.11 O ATOM 811 CB LEU A 50 -5.993 4.530 9.414 1.00 70.50 C ATOM 812 CG LEU A 50 -6.929 5.308 10.339 1.00 2.35 C ATOM 813 CD1 LEU A 50 -7.947 4.375 10.977 1.00 52.40 C ATOM 814 CD2 LEU A 50 -6.133 6.043 11.407 1.00 44.50 C ATOM 0 H LEU A 50 -6.933 5.624 7.340 1.00 31.44 H new ATOM 0 HA LEU A 50 -4.587 6.100 8.999 1.00 34.12 H new ATOM 0 HB2 LEU A 50 -6.590 3.822 8.839 1.00 70.50 H new ATOM 0 HB3 LEU A 50 -5.310 3.945 10.030 1.00 70.50 H new ATOM 0 HG LEU A 50 -7.467 6.045 9.743 1.00 2.35 H new ATOM 0 HD11 LEU A 50 -8.604 4.947 11.632 1.00 52.40 H new ATOM 0 HD12 LEU A 50 -8.539 3.895 10.198 1.00 52.40 H new ATOM 0 HD13 LEU A 50 -7.428 3.614 11.559 1.00 52.40 H new ATOM 0 HD21 LEU A 50 -6.815 6.591 12.056 1.00 44.50 H new ATOM 0 HD22 LEU A 50 -5.568 5.323 11.999 1.00 44.50 H new ATOM 0 HD23 LEU A 50 -5.445 6.742 10.931 1.00 44.50 H new ATOM 826 N LEU A 51 -4.253 4.534 6.351 1.00 10.32 N ATOM 827 CA LEU A 51 -3.378 3.729 5.505 1.00 72.11 C ATOM 828 C LEU A 51 -2.149 4.524 5.079 1.00 53.51 C ATOM 829 O LEU A 51 -1.184 3.964 4.561 1.00 72.31 O ATOM 830 CB LEU A 51 -4.138 3.240 4.271 1.00 13.02 C ATOM 831 CG LEU A 51 -4.878 1.911 4.421 1.00 10.34 C ATOM 832 CD1 LEU A 51 -5.756 1.649 3.207 1.00 0.14 C ATOM 833 CD2 LEU A 51 -3.892 0.770 4.624 1.00 52.34 C ATOM 0 H LEU A 51 -4.897 5.137 5.838 1.00 10.32 H new ATOM 0 HA LEU A 51 -3.046 2.867 6.084 1.00 72.11 H new ATOM 0 HB2 LEU A 51 -4.861 4.005 3.987 1.00 13.02 H new ATOM 0 HB3 LEU A 51 -3.431 3.148 3.447 1.00 13.02 H new ATOM 0 HG LEU A 51 -5.518 1.972 5.301 1.00 10.34 H new ATOM 0 HD11 LEU A 51 -6.275 0.699 3.332 1.00 0.14 H new ATOM 0 HD12 LEU A 51 -6.487 2.451 3.107 1.00 0.14 H new ATOM 0 HD13 LEU A 51 -5.136 1.609 2.311 1.00 0.14 H new ATOM 0 HD21 LEU A 51 -4.437 -0.168 4.729 1.00 52.34 H new ATOM 0 HD22 LEU A 51 -3.225 0.708 3.764 1.00 52.34 H new ATOM 0 HD23 LEU A 51 -3.306 0.952 5.525 1.00 52.34 H new ATOM 845 N GLU A 52 -2.192 5.835 5.302 1.00 23.31 N ATOM 846 CA GLU A 52 -1.081 6.708 4.941 1.00 35.52 C ATOM 847 C GLU A 52 -0.438 7.312 6.186 1.00 12.02 C ATOM 848 O GLU A 52 0.094 8.421 6.146 1.00 1.52 O ATOM 849 CB GLU A 52 -1.560 7.821 4.008 1.00 43.11 C ATOM 850 CG GLU A 52 -2.625 8.713 4.623 1.00 4.53 C ATOM 851 CD GLU A 52 -2.280 10.186 4.526 1.00 53.31 C ATOM 852 OE1 GLU A 52 -1.166 10.564 4.948 1.00 31.13 O ATOM 853 OE2 GLU A 52 -3.123 10.963 4.029 1.00 30.33 O ATOM 0 H GLU A 52 -2.984 6.315 5.730 1.00 23.31 H new ATOM 0 HA GLU A 52 -0.333 6.108 4.423 1.00 35.52 H new ATOM 0 HB2 GLU A 52 -0.706 8.434 3.719 1.00 43.11 H new ATOM 0 HB3 GLU A 52 -1.955 7.374 3.095 1.00 43.11 H new ATOM 0 HG2 GLU A 52 -3.577 8.533 4.123 1.00 4.53 H new ATOM 0 HG3 GLU A 52 -2.759 8.443 5.671 1.00 4.53 H new ATOM 860 N SER A 53 -0.491 6.575 7.291 1.00 4.42 N ATOM 861 CA SER A 53 0.081 7.040 8.548 1.00 63.44 C ATOM 862 C SER A 53 0.564 5.864 9.392 1.00 1.11 C ATOM 863 O SER A 53 -0.206 4.962 9.720 1.00 60.31 O ATOM 864 CB SER A 53 -0.950 7.856 9.332 1.00 73.20 C ATOM 865 OG SER A 53 -0.780 7.686 10.729 1.00 13.02 O ATOM 0 H SER A 53 -0.925 5.653 7.341 1.00 4.42 H new ATOM 0 HA SER A 53 0.936 7.675 8.317 1.00 63.44 H new ATOM 0 HB2 SER A 53 -0.854 8.911 9.077 1.00 73.20 H new ATOM 0 HB3 SER A 53 -1.956 7.549 9.045 1.00 73.20 H new ATOM 0 HG SER A 53 -1.449 8.219 11.207 1.00 13.02 H new ATOM 871 N LYS A 54 1.846 5.883 9.741 1.00 60.31 N ATOM 872 CA LYS A 54 2.435 4.821 10.548 1.00 60.33 C ATOM 873 C LYS A 54 1.653 4.625 11.844 1.00 33.54 C ATOM 874 O LYS A 54 1.317 3.499 12.211 1.00 63.10 O ATOM 875 CB LYS A 54 3.897 5.144 10.866 1.00 51.40 C ATOM 876 CG LYS A 54 4.613 4.041 11.624 1.00 61.42 C ATOM 877 CD LYS A 54 5.911 4.537 12.239 1.00 40.04 C ATOM 878 CE LYS A 54 6.421 3.585 13.310 1.00 62.23 C ATOM 879 NZ LYS A 54 7.094 4.311 14.423 1.00 5.41 N ATOM 0 H LYS A 54 2.497 6.623 9.477 1.00 60.31 H new ATOM 0 HA LYS A 54 2.391 3.896 9.974 1.00 60.33 H new ATOM 0 HB2 LYS A 54 4.429 5.337 9.934 1.00 51.40 H new ATOM 0 HB3 LYS A 54 3.938 6.062 11.452 1.00 51.40 H new ATOM 0 HG2 LYS A 54 3.962 3.656 12.409 1.00 61.42 H new ATOM 0 HG3 LYS A 54 4.823 3.212 10.949 1.00 61.42 H new ATOM 0 HD2 LYS A 54 6.665 4.647 11.460 1.00 40.04 H new ATOM 0 HD3 LYS A 54 5.755 5.525 12.673 1.00 40.04 H new ATOM 0 HE2 LYS A 54 5.588 3.005 13.706 1.00 62.23 H new ATOM 0 HE3 LYS A 54 7.119 2.877 12.864 1.00 62.23 H new ATOM 0 HZ1 LYS A 54 7.427 3.627 15.132 1.00 5.41 H new ATOM 0 HZ2 LYS A 54 7.904 4.845 14.049 1.00 5.41 H new ATOM 0 HZ3 LYS A 54 6.421 4.969 14.866 1.00 5.41 H new ATOM 893 N GLU A 55 1.368 5.727 12.530 1.00 34.32 N ATOM 894 CA GLU A 55 0.625 5.673 13.784 1.00 13.42 C ATOM 895 C GLU A 55 -0.816 5.230 13.545 1.00 15.15 C ATOM 896 O GLU A 55 -1.458 4.666 14.430 1.00 14.24 O ATOM 897 CB GLU A 55 0.642 7.041 14.470 1.00 73.30 C ATOM 898 CG GLU A 55 0.657 6.960 15.987 1.00 44.15 C ATOM 899 CD GLU A 55 -0.651 6.444 16.556 1.00 51.52 C ATOM 900 OE1 GLU A 55 -1.718 6.816 16.024 1.00 55.34 O ATOM 901 OE2 GLU A 55 -0.607 5.669 17.534 1.00 52.45 O ATOM 0 H GLU A 55 1.640 6.666 12.240 1.00 34.32 H new ATOM 0 HA GLU A 55 1.108 4.942 14.432 1.00 13.42 H new ATOM 0 HB2 GLU A 55 1.519 7.595 14.135 1.00 73.30 H new ATOM 0 HB3 GLU A 55 -0.233 7.608 14.153 1.00 73.30 H new ATOM 0 HG2 GLU A 55 1.470 6.307 16.304 1.00 44.15 H new ATOM 0 HG3 GLU A 55 0.863 7.948 16.398 1.00 44.15 H new ATOM 908 N GLY A 56 -1.317 5.491 12.341 1.00 75.33 N ATOM 909 CA GLY A 56 -2.677 5.113 12.006 1.00 62.41 C ATOM 910 C GLY A 56 -2.820 3.625 11.754 1.00 70.41 C ATOM 911 O GLY A 56 -3.693 2.972 12.326 1.00 41.14 O ATOM 0 H GLY A 56 -0.805 5.957 11.592 1.00 75.33 H new ATOM 0 HA2 GLY A 56 -3.343 5.407 12.818 1.00 62.41 H new ATOM 0 HA3 GLY A 56 -2.995 5.661 11.119 1.00 62.41 H new ATOM 915 N CYS A 57 -1.962 3.087 10.893 1.00 41.10 N ATOM 916 CA CYS A 57 -1.999 1.667 10.564 1.00 53.31 C ATOM 917 C CYS A 57 -1.814 0.814 11.814 1.00 60.32 C ATOM 918 O CYS A 57 -2.265 -0.330 11.869 1.00 11.11 O ATOM 919 CB CYS A 57 -0.915 1.332 9.539 1.00 15.31 C ATOM 920 SG CYS A 57 -1.491 1.343 7.825 1.00 54.01 S ATOM 0 H CYS A 57 -1.233 3.613 10.411 1.00 41.10 H new ATOM 0 HA CYS A 57 -2.976 1.444 10.136 1.00 53.31 H new ATOM 0 HB2 CYS A 57 -0.099 2.048 9.642 1.00 15.31 H new ATOM 0 HB3 CYS A 57 -0.506 0.348 9.767 1.00 15.31 H new ATOM 0 HG CYS A 57 -2.498 2.157 7.711 1.00 54.01 H new ATOM 926 N GLN A 58 -1.147 1.378 12.816 1.00 72.30 N ATOM 927 CA GLN A 58 -0.900 0.667 14.065 1.00 4.00 C ATOM 928 C GLN A 58 -2.198 0.463 14.840 1.00 61.40 C ATOM 929 O GLN A 58 -2.339 -0.502 15.592 1.00 4.44 O ATOM 930 CB GLN A 58 0.104 1.437 14.924 1.00 30.42 C ATOM 931 CG GLN A 58 1.296 0.600 15.363 1.00 43.40 C ATOM 932 CD GLN A 58 2.254 1.369 16.252 1.00 23.14 C ATOM 933 OE1 GLN A 58 2.421 1.047 17.429 1.00 3.35 O ATOM 934 NE2 GLN A 58 2.889 2.392 15.691 1.00 64.34 N ATOM 0 H GLN A 58 -0.768 2.325 12.787 1.00 72.30 H new ATOM 0 HA GLN A 58 -0.485 -0.311 13.822 1.00 4.00 H new ATOM 0 HB2 GLN A 58 0.463 2.300 14.363 1.00 30.42 H new ATOM 0 HB3 GLN A 58 -0.405 1.821 15.808 1.00 30.42 H new ATOM 0 HG2 GLN A 58 0.940 -0.281 15.896 1.00 43.40 H new ATOM 0 HG3 GLN A 58 1.830 0.245 14.482 1.00 43.40 H new ATOM 0 HE21 GLN A 58 2.719 2.623 14.712 1.00 64.34 H new ATOM 0 HE22 GLN A 58 3.546 2.947 16.239 1.00 64.34 H new ATOM 943 N LYS A 59 -3.144 1.377 14.652 1.00 71.33 N ATOM 944 CA LYS A 59 -4.431 1.297 15.333 1.00 5.44 C ATOM 945 C LYS A 59 -5.292 0.185 14.740 1.00 53.53 C ATOM 946 O LYS A 59 -6.234 -0.288 15.376 1.00 3.22 O ATOM 947 CB LYS A 59 -5.168 2.635 15.233 1.00 10.54 C ATOM 948 CG LYS A 59 -5.599 3.194 16.577 1.00 21.12 C ATOM 949 CD LYS A 59 -7.102 3.413 16.633 1.00 61.55 C ATOM 950 CE LYS A 59 -7.480 4.404 17.724 1.00 43.02 C ATOM 951 NZ LYS A 59 -7.294 3.829 19.085 1.00 23.43 N ATOM 0 H LYS A 59 -3.044 2.182 14.034 1.00 71.33 H new ATOM 0 HA LYS A 59 -4.245 1.069 16.383 1.00 5.44 H new ATOM 0 HB2 LYS A 59 -4.522 3.360 14.738 1.00 10.54 H new ATOM 0 HB3 LYS A 59 -6.048 2.509 14.602 1.00 10.54 H new ATOM 0 HG2 LYS A 59 -5.300 2.508 17.370 1.00 21.12 H new ATOM 0 HG3 LYS A 59 -5.086 4.138 16.761 1.00 21.12 H new ATOM 0 HD2 LYS A 59 -7.454 3.780 15.669 1.00 61.55 H new ATOM 0 HD3 LYS A 59 -7.603 2.462 16.814 1.00 61.55 H new ATOM 0 HE2 LYS A 59 -6.873 5.303 17.624 1.00 43.02 H new ATOM 0 HE3 LYS A 59 -8.520 4.706 17.596 1.00 43.02 H new ATOM 0 HZ1 LYS A 59 -7.562 4.535 19.800 1.00 23.43 H new ATOM 0 HZ2 LYS A 59 -7.893 2.985 19.190 1.00 23.43 H new ATOM 0 HZ3 LYS A 59 -6.297 3.565 19.217 1.00 23.43 H new ATOM 965 N ILE A 60 -4.960 -0.227 13.522 1.00 74.42 N ATOM 966 CA ILE A 60 -5.702 -1.285 12.846 1.00 75.43 C ATOM 967 C ILE A 60 -5.146 -2.660 13.203 1.00 41.34 C ATOM 968 O ILE A 60 -5.900 -3.604 13.444 1.00 3.54 O ATOM 969 CB ILE A 60 -5.664 -1.111 11.317 1.00 23.10 C ATOM 970 CG1 ILE A 60 -5.989 0.336 10.939 1.00 1.22 C ATOM 971 CG2 ILE A 60 -6.639 -2.070 10.650 1.00 73.42 C ATOM 972 CD1 ILE A 60 -5.913 0.604 9.452 1.00 52.11 C ATOM 0 H ILE A 60 -4.183 0.155 12.983 1.00 74.42 H new ATOM 0 HA ILE A 60 -6.735 -1.213 13.186 1.00 75.43 H new ATOM 0 HB ILE A 60 -4.659 -1.342 10.964 1.00 23.10 H new ATOM 0 HG12 ILE A 60 -6.991 0.579 11.293 1.00 1.22 H new ATOM 0 HG13 ILE A 60 -5.298 1.002 11.456 1.00 1.22 H new ATOM 0 HG21 ILE A 60 -6.600 -1.935 9.569 1.00 73.42 H new ATOM 0 HG22 ILE A 60 -6.367 -3.096 10.897 1.00 73.42 H new ATOM 0 HG23 ILE A 60 -7.649 -1.867 11.005 1.00 73.42 H new ATOM 0 HD11 ILE A 60 -6.155 1.649 9.258 1.00 52.11 H new ATOM 0 HD12 ILE A 60 -4.905 0.393 9.095 1.00 52.11 H new ATOM 0 HD13 ILE A 60 -6.624 -0.036 8.930 1.00 52.11 H new ATOM 984 N LEU A 61 -3.823 -2.766 13.240 1.00 35.15 N ATOM 985 CA LEU A 61 -3.165 -4.025 13.570 1.00 34.21 C ATOM 986 C LEU A 61 -3.491 -4.453 14.997 1.00 43.41 C ATOM 987 O LEU A 61 -3.537 -5.644 15.305 1.00 25.41 O ATOM 988 CB LEU A 61 -1.650 -3.892 13.399 1.00 53.23 C ATOM 989 CG LEU A 61 -1.138 -3.847 11.959 1.00 35.00 C ATOM 990 CD1 LEU A 61 0.347 -3.519 11.931 1.00 71.43 C ATOM 991 CD2 LEU A 61 -1.407 -5.169 11.256 1.00 24.14 C ATOM 0 H LEU A 61 -3.184 -1.995 13.045 1.00 35.15 H new ATOM 0 HA LEU A 61 -3.536 -4.790 12.887 1.00 34.21 H new ATOM 0 HB2 LEU A 61 -1.326 -2.984 13.907 1.00 53.23 H new ATOM 0 HB3 LEU A 61 -1.172 -4.730 13.907 1.00 53.23 H new ATOM 0 HG LEU A 61 -1.673 -3.060 11.427 1.00 35.00 H new ATOM 0 HD11 LEU A 61 0.694 -3.491 10.898 1.00 71.43 H new ATOM 0 HD12 LEU A 61 0.514 -2.547 12.396 1.00 71.43 H new ATOM 0 HD13 LEU A 61 0.899 -4.283 12.479 1.00 71.43 H new ATOM 0 HD21 LEU A 61 -1.036 -5.119 10.232 1.00 24.14 H new ATOM 0 HD22 LEU A 61 -0.899 -5.974 11.787 1.00 24.14 H new ATOM 0 HD23 LEU A 61 -2.480 -5.363 11.244 1.00 24.14 H new ATOM 1003 N THR A 62 -3.720 -3.472 15.865 1.00 23.40 N ATOM 1004 CA THR A 62 -4.045 -3.747 17.259 1.00 52.44 C ATOM 1005 C THR A 62 -5.393 -4.447 17.383 1.00 2.40 C ATOM 1006 O THR A 62 -5.621 -5.215 18.318 1.00 42.33 O ATOM 1007 CB THR A 62 -4.073 -2.452 18.095 1.00 20.54 C ATOM 1008 OG1 THR A 62 -3.884 -2.759 19.480 1.00 72.44 O ATOM 1009 CG2 THR A 62 -5.390 -1.716 17.908 1.00 23.25 C ATOM 0 H THR A 62 -3.686 -2.481 15.627 1.00 23.40 H new ATOM 0 HA THR A 62 -3.263 -4.402 17.642 1.00 52.44 H new ATOM 0 HB THR A 62 -3.263 -1.807 17.753 1.00 20.54 H new ATOM 0 HG1 THR A 62 -3.902 -1.931 20.004 1.00 72.44 H new ATOM 0 HG21 THR A 62 -5.386 -0.806 18.508 1.00 23.25 H new ATOM 0 HG22 THR A 62 -5.516 -1.458 16.857 1.00 23.25 H new ATOM 0 HG23 THR A 62 -6.213 -2.356 18.226 1.00 23.25 H new ATOM 1017 N VAL A 63 -6.284 -4.179 16.433 1.00 54.12 N ATOM 1018 CA VAL A 63 -7.609 -4.784 16.435 1.00 61.50 C ATOM 1019 C VAL A 63 -7.607 -6.114 15.688 1.00 75.05 C ATOM 1020 O VAL A 63 -8.237 -7.081 16.118 1.00 43.24 O ATOM 1021 CB VAL A 63 -8.654 -3.851 15.794 1.00 72.15 C ATOM 1022 CG1 VAL A 63 -10.014 -4.530 15.741 1.00 10.12 C ATOM 1023 CG2 VAL A 63 -8.734 -2.538 16.559 1.00 62.34 C ATOM 0 H VAL A 63 -6.111 -3.546 15.652 1.00 54.12 H new ATOM 0 HA VAL A 63 -7.876 -4.955 17.478 1.00 61.50 H new ATOM 0 HB VAL A 63 -8.344 -3.632 14.772 1.00 72.15 H new ATOM 0 HG11 VAL A 63 -10.740 -3.856 15.285 1.00 10.12 H new ATOM 0 HG12 VAL A 63 -9.943 -5.442 15.148 1.00 10.12 H new ATOM 0 HG13 VAL A 63 -10.336 -4.779 16.752 1.00 10.12 H new ATOM 0 HG21 VAL A 63 -9.477 -1.890 16.093 1.00 62.34 H new ATOM 0 HG22 VAL A 63 -9.021 -2.736 17.592 1.00 62.34 H new ATOM 0 HG23 VAL A 63 -7.761 -2.046 16.541 1.00 62.34 H new ATOM 1033 N LEU A 64 -6.893 -6.156 14.569 1.00 22.22 N ATOM 1034 CA LEU A 64 -6.806 -7.368 13.762 1.00 5.22 C ATOM 1035 C LEU A 64 -5.924 -8.412 14.438 1.00 42.10 C ATOM 1036 O LEU A 64 -6.063 -9.610 14.193 1.00 70.23 O ATOM 1037 CB LEU A 64 -6.256 -7.041 12.372 1.00 71.43 C ATOM 1038 CG LEU A 64 -7.060 -6.031 11.552 1.00 75.04 C ATOM 1039 CD1 LEU A 64 -6.290 -5.622 10.306 1.00 54.24 C ATOM 1040 CD2 LEU A 64 -8.417 -6.609 11.177 1.00 53.23 C ATOM 0 H LEU A 64 -6.366 -5.365 14.200 1.00 22.22 H new ATOM 0 HA LEU A 64 -7.810 -7.780 13.661 1.00 5.22 H new ATOM 0 HB2 LEU A 64 -5.241 -6.661 12.485 1.00 71.43 H new ATOM 0 HB3 LEU A 64 -6.187 -7.968 11.803 1.00 71.43 H new ATOM 0 HG LEU A 64 -7.222 -5.142 12.162 1.00 75.04 H new ATOM 0 HD11 LEU A 64 -6.877 -4.903 9.735 1.00 54.24 H new ATOM 0 HD12 LEU A 64 -5.343 -5.168 10.596 1.00 54.24 H new ATOM 0 HD13 LEU A 64 -6.097 -6.502 9.692 1.00 54.24 H new ATOM 0 HD21 LEU A 64 -8.976 -5.877 10.594 1.00 53.23 H new ATOM 0 HD22 LEU A 64 -8.276 -7.513 10.585 1.00 53.23 H new ATOM 0 HD23 LEU A 64 -8.972 -6.851 12.083 1.00 53.23 H new ATOM 1052 N ASP A 65 -5.018 -7.949 15.292 1.00 42.32 N ATOM 1053 CA ASP A 65 -4.115 -8.842 16.007 1.00 73.53 C ATOM 1054 C ASP A 65 -4.893 -9.930 16.741 1.00 43.34 C ATOM 1055 O ASP A 65 -4.746 -11.121 16.473 1.00 24.43 O ATOM 1056 CB ASP A 65 -3.260 -8.052 17.000 1.00 43.24 C ATOM 1057 CG ASP A 65 -1.838 -7.856 16.512 1.00 71.34 C ATOM 1058 OD1 ASP A 65 -1.150 -8.870 16.270 1.00 21.03 O ATOM 1059 OD2 ASP A 65 -1.413 -6.691 16.375 1.00 54.52 O ATOM 0 H ASP A 65 -4.890 -6.960 15.506 1.00 42.32 H new ATOM 0 HA ASP A 65 -3.462 -9.318 15.275 1.00 73.53 H new ATOM 0 HB2 ASP A 65 -3.718 -7.079 17.175 1.00 43.24 H new ATOM 0 HB3 ASP A 65 -3.244 -8.574 17.957 1.00 43.24 H new ATOM 1064 N PRO A 66 -5.743 -9.511 17.692 1.00 1.54 N ATOM 1065 CA PRO A 66 -6.562 -10.432 18.484 1.00 33.13 C ATOM 1066 C PRO A 66 -7.659 -11.091 17.656 1.00 61.10 C ATOM 1067 O PRO A 66 -8.338 -12.006 18.122 1.00 55.04 O ATOM 1068 CB PRO A 66 -7.172 -9.530 19.559 1.00 62.24 C ATOM 1069 CG PRO A 66 -7.182 -8.170 18.952 1.00 13.35 C ATOM 1070 CD PRO A 66 -5.969 -8.104 18.065 1.00 22.35 C ATOM 0 HA PRO A 66 -5.974 -11.258 18.885 1.00 33.13 H new ATOM 0 HB2 PRO A 66 -8.179 -9.853 19.822 1.00 62.24 H new ATOM 0 HB3 PRO A 66 -6.581 -9.550 20.475 1.00 62.24 H new ATOM 0 HG2 PRO A 66 -8.094 -8.005 18.379 1.00 13.35 H new ATOM 0 HG3 PRO A 66 -7.145 -7.399 19.721 1.00 13.35 H new ATOM 0 HD2 PRO A 66 -6.145 -7.479 17.189 1.00 22.35 H new ATOM 0 HD3 PRO A 66 -5.110 -7.684 18.589 1.00 22.35 H new ATOM 1078 N MET A 67 -7.829 -10.620 16.425 1.00 34.22 N ATOM 1079 CA MET A 67 -8.844 -11.166 15.531 1.00 53.11 C ATOM 1080 C MET A 67 -8.274 -12.308 14.694 1.00 44.14 C ATOM 1081 O MET A 67 -9.020 -13.123 14.151 1.00 31.12 O ATOM 1082 CB MET A 67 -9.389 -10.069 14.614 1.00 43.22 C ATOM 1083 CG MET A 67 -10.233 -9.035 15.339 1.00 45.35 C ATOM 1084 SD MET A 67 -11.974 -9.497 15.430 1.00 51.25 S ATOM 1085 CE MET A 67 -12.688 -7.998 16.102 1.00 61.42 C ATOM 0 H MET A 67 -7.277 -9.862 16.024 1.00 34.22 H new ATOM 0 HA MET A 67 -9.658 -11.557 16.141 1.00 53.11 H new ATOM 0 HB2 MET A 67 -8.554 -9.567 14.126 1.00 43.22 H new ATOM 0 HB3 MET A 67 -9.988 -10.528 13.828 1.00 43.22 H new ATOM 0 HG2 MET A 67 -9.845 -8.898 16.348 1.00 45.35 H new ATOM 0 HG3 MET A 67 -10.142 -8.076 14.829 1.00 45.35 H new ATOM 0 HE1 MET A 67 -13.764 -8.127 16.217 1.00 61.42 H new ATOM 0 HE2 MET A 67 -12.242 -7.787 17.074 1.00 61.42 H new ATOM 0 HE3 MET A 67 -12.493 -7.167 15.425 1.00 61.42 H new ATOM 1095 N VAL A 68 -6.950 -12.360 14.595 1.00 53.52 N ATOM 1096 CA VAL A 68 -6.281 -13.402 13.825 1.00 21.30 C ATOM 1097 C VAL A 68 -6.536 -14.779 14.429 1.00 54.20 C ATOM 1098 O VAL A 68 -7.068 -15.680 13.780 1.00 40.24 O ATOM 1099 CB VAL A 68 -4.762 -13.158 13.751 1.00 21.33 C ATOM 1100 CG1 VAL A 68 -4.017 -14.475 13.606 1.00 71.21 C ATOM 1101 CG2 VAL A 68 -4.430 -12.219 12.602 1.00 41.41 C ATOM 0 H VAL A 68 -6.319 -11.693 15.038 1.00 53.52 H new ATOM 0 HA VAL A 68 -6.695 -13.368 12.817 1.00 21.30 H new ATOM 0 HB VAL A 68 -4.441 -12.687 14.680 1.00 21.33 H new ATOM 0 HG11 VAL A 68 -2.945 -14.283 13.555 1.00 71.21 H new ATOM 0 HG12 VAL A 68 -4.232 -15.111 14.465 1.00 71.21 H new ATOM 0 HG13 VAL A 68 -4.339 -14.977 12.694 1.00 71.21 H new ATOM 0 HG21 VAL A 68 -3.353 -12.057 12.564 1.00 41.41 H new ATOM 0 HG22 VAL A 68 -4.764 -12.661 11.663 1.00 41.41 H new ATOM 0 HG23 VAL A 68 -4.935 -11.265 12.754 1.00 41.41 H new ATOM 1111 N PRO A 69 -6.146 -14.949 15.701 1.00 13.43 N ATOM 1112 CA PRO A 69 -6.321 -16.213 16.421 1.00 31.05 C ATOM 1113 C PRO A 69 -7.786 -16.506 16.728 1.00 41.11 C ATOM 1114 O PRO A 69 -8.112 -17.533 17.324 1.00 43.03 O ATOM 1115 CB PRO A 69 -5.536 -15.995 17.717 1.00 50.32 C ATOM 1116 CG PRO A 69 -5.530 -14.519 17.912 1.00 44.34 C ATOM 1117 CD PRO A 69 -5.503 -13.918 16.534 1.00 70.41 C ATOM 0 HA PRO A 69 -5.976 -17.066 15.837 1.00 31.05 H new ATOM 0 HB2 PRO A 69 -6.009 -16.503 18.557 1.00 50.32 H new ATOM 0 HB3 PRO A 69 -4.522 -16.388 17.637 1.00 50.32 H new ATOM 0 HG2 PRO A 69 -6.414 -14.195 18.462 1.00 44.34 H new ATOM 0 HG3 PRO A 69 -4.661 -14.206 18.491 1.00 44.34 H new ATOM 0 HD2 PRO A 69 -6.047 -12.974 16.496 1.00 70.41 H new ATOM 0 HD3 PRO A 69 -4.484 -13.713 16.205 1.00 70.41 H new ATOM 1125 N THR A 70 -8.665 -15.598 16.317 1.00 22.11 N ATOM 1126 CA THR A 70 -10.096 -15.760 16.549 1.00 13.45 C ATOM 1127 C THR A 70 -10.909 -14.941 15.553 1.00 52.33 C ATOM 1128 O THR A 70 -11.672 -14.056 15.939 1.00 11.52 O ATOM 1129 CB THR A 70 -10.484 -15.341 17.979 1.00 13.41 C ATOM 1130 OG1 THR A 70 -9.409 -15.626 18.881 1.00 50.23 O ATOM 1131 CG2 THR A 70 -11.740 -16.068 18.434 1.00 14.24 C ATOM 0 H THR A 70 -8.412 -14.743 15.822 1.00 22.11 H new ATOM 0 HA THR A 70 -10.321 -16.818 16.415 1.00 13.45 H new ATOM 0 HB THR A 70 -10.684 -14.269 17.979 1.00 13.41 H new ATOM 0 HG1 THR A 70 -9.663 -15.355 19.788 1.00 50.23 H new ATOM 0 HG21 THR A 70 -11.994 -15.756 19.447 1.00 14.24 H new ATOM 0 HG22 THR A 70 -12.564 -15.827 17.762 1.00 14.24 H new ATOM 0 HG23 THR A 70 -11.563 -17.143 18.420 1.00 14.24 H new ATOM 1139 N GLY A 71 -10.743 -15.243 14.269 1.00 34.11 N ATOM 1140 CA GLY A 71 -11.470 -14.525 13.237 1.00 32.40 C ATOM 1141 C GLY A 71 -11.572 -15.313 11.946 1.00 42.12 C ATOM 1142 O GLY A 71 -11.059 -16.427 11.848 1.00 72.32 O ATOM 0 H GLY A 71 -10.118 -15.972 13.924 1.00 34.11 H new ATOM 0 HA2 GLY A 71 -12.472 -14.293 13.597 1.00 32.40 H new ATOM 0 HA3 GLY A 71 -10.973 -13.575 13.041 1.00 32.40 H new ATOM 1146 N SER A 72 -12.239 -14.733 10.953 1.00 64.30 N ATOM 1147 CA SER A 72 -12.413 -15.390 9.663 1.00 11.00 C ATOM 1148 C SER A 72 -11.226 -15.110 8.746 1.00 53.23 C ATOM 1149 O SER A 72 -10.343 -14.321 9.081 1.00 53.32 O ATOM 1150 CB SER A 72 -13.707 -14.920 8.998 1.00 3.41 C ATOM 1151 OG SER A 72 -13.471 -13.810 8.149 1.00 2.25 O ATOM 0 H SER A 72 -12.668 -13.810 11.017 1.00 64.30 H new ATOM 0 HA SER A 72 -12.471 -16.465 9.836 1.00 11.00 H new ATOM 0 HB2 SER A 72 -14.141 -15.737 8.421 1.00 3.41 H new ATOM 0 HB3 SER A 72 -14.435 -14.648 9.763 1.00 3.41 H new ATOM 0 HG SER A 72 -14.314 -13.530 7.735 1.00 2.25 H new ATOM 1157 N GLU A 73 -11.213 -15.763 7.589 1.00 42.22 N ATOM 1158 CA GLU A 73 -10.134 -15.585 6.624 1.00 53.25 C ATOM 1159 C GLU A 73 -10.143 -14.170 6.053 1.00 54.42 C ATOM 1160 O GLU A 73 -9.093 -13.608 5.746 1.00 14.44 O ATOM 1161 CB GLU A 73 -10.260 -16.605 5.490 1.00 65.35 C ATOM 1162 CG GLU A 73 -9.002 -17.428 5.268 1.00 44.34 C ATOM 1163 CD GLU A 73 -8.731 -18.395 6.404 1.00 21.30 C ATOM 1164 OE1 GLU A 73 -9.700 -18.996 6.915 1.00 53.33 O ATOM 1165 OE2 GLU A 73 -7.551 -18.553 6.782 1.00 22.15 O ATOM 0 H GLU A 73 -11.937 -16.420 7.297 1.00 42.22 H new ATOM 0 HA GLU A 73 -9.188 -15.744 7.142 1.00 53.25 H new ATOM 0 HB2 GLU A 73 -11.090 -17.277 5.708 1.00 65.35 H new ATOM 0 HB3 GLU A 73 -10.508 -16.081 4.567 1.00 65.35 H new ATOM 0 HG2 GLU A 73 -9.096 -17.985 4.336 1.00 44.34 H new ATOM 0 HG3 GLU A 73 -8.149 -16.758 5.154 1.00 44.34 H new ATOM 1172 N ASN A 74 -11.336 -13.601 5.915 1.00 55.21 N ATOM 1173 CA ASN A 74 -11.482 -12.252 5.380 1.00 61.01 C ATOM 1174 C ASN A 74 -10.632 -11.260 6.167 1.00 73.31 C ATOM 1175 O ASN A 74 -10.226 -10.221 5.643 1.00 44.22 O ATOM 1176 CB ASN A 74 -12.950 -11.824 5.415 1.00 45.54 C ATOM 1177 CG ASN A 74 -13.497 -11.516 4.036 1.00 4.44 C ATOM 1178 OD1 ASN A 74 -13.959 -10.406 3.772 1.00 4.42 O ATOM 1179 ND2 ASN A 74 -13.446 -12.500 3.145 1.00 42.24 N ATOM 0 H ASN A 74 -12.215 -14.053 6.166 1.00 55.21 H new ATOM 0 HA ASN A 74 -11.137 -12.258 4.346 1.00 61.01 H new ATOM 0 HB2 ASN A 74 -13.545 -12.616 5.870 1.00 45.54 H new ATOM 0 HB3 ASN A 74 -13.053 -10.943 6.049 1.00 45.54 H new ATOM 0 HD21 ASN A 74 -13.798 -12.351 2.199 1.00 42.24 H new ATOM 0 HD22 ASN A 74 -13.055 -13.405 3.406 1.00 42.24 H new ATOM 1186 N LEU A 75 -10.364 -11.586 7.426 1.00 21.52 N ATOM 1187 CA LEU A 75 -9.561 -10.724 8.287 1.00 20.44 C ATOM 1188 C LEU A 75 -8.072 -10.973 8.068 1.00 72.12 C ATOM 1189 O LEU A 75 -7.283 -10.033 7.968 1.00 32.10 O ATOM 1190 CB LEU A 75 -9.919 -10.960 9.755 1.00 23.10 C ATOM 1191 CG LEU A 75 -9.414 -9.910 10.745 1.00 63.34 C ATOM 1192 CD1 LEU A 75 -10.562 -9.377 11.589 1.00 14.32 C ATOM 1193 CD2 LEU A 75 -8.324 -10.495 11.633 1.00 24.55 C ATOM 0 H LEU A 75 -10.691 -12.442 7.874 1.00 21.52 H new ATOM 0 HA LEU A 75 -9.780 -9.688 8.029 1.00 20.44 H new ATOM 0 HB2 LEU A 75 -11.004 -11.018 9.839 1.00 23.10 H new ATOM 0 HB3 LEU A 75 -9.524 -11.931 10.053 1.00 23.10 H new ATOM 0 HG LEU A 75 -8.989 -9.080 10.180 1.00 63.34 H new ATOM 0 HD11 LEU A 75 -10.184 -8.631 12.288 1.00 14.32 H new ATOM 0 HD12 LEU A 75 -11.309 -8.921 10.940 1.00 14.32 H new ATOM 0 HD13 LEU A 75 -11.016 -10.197 12.145 1.00 14.32 H new ATOM 0 HD21 LEU A 75 -7.976 -9.734 12.331 1.00 24.55 H new ATOM 0 HD22 LEU A 75 -8.724 -11.343 12.190 1.00 24.55 H new ATOM 0 HD23 LEU A 75 -7.490 -10.828 11.015 1.00 24.55 H new ATOM 1205 N LYS A 76 -7.695 -12.245 7.993 1.00 53.31 N ATOM 1206 CA LYS A 76 -6.301 -12.618 7.782 1.00 72.52 C ATOM 1207 C LYS A 76 -5.748 -11.969 6.517 1.00 64.12 C ATOM 1208 O LYS A 76 -4.577 -11.595 6.461 1.00 51.20 O ATOM 1209 CB LYS A 76 -6.168 -14.140 7.688 1.00 43.32 C ATOM 1210 CG LYS A 76 -6.013 -14.822 9.036 1.00 10.30 C ATOM 1211 CD LYS A 76 -7.105 -15.854 9.268 1.00 33.12 C ATOM 1212 CE LYS A 76 -7.459 -15.969 10.742 1.00 61.34 C ATOM 1213 NZ LYS A 76 -7.314 -17.365 11.239 1.00 63.00 N ATOM 0 H LYS A 76 -8.335 -13.035 8.075 1.00 53.31 H new ATOM 0 HA LYS A 76 -5.723 -12.260 8.634 1.00 72.52 H new ATOM 0 HB2 LYS A 76 -7.048 -14.543 7.186 1.00 43.32 H new ATOM 0 HB3 LYS A 76 -5.306 -14.383 7.066 1.00 43.32 H new ATOM 0 HG2 LYS A 76 -5.037 -15.305 9.090 1.00 10.30 H new ATOM 0 HG3 LYS A 76 -6.043 -14.074 9.829 1.00 10.30 H new ATOM 0 HD2 LYS A 76 -7.994 -15.579 8.700 1.00 33.12 H new ATOM 0 HD3 LYS A 76 -6.776 -16.824 8.895 1.00 33.12 H new ATOM 0 HE2 LYS A 76 -6.816 -15.308 11.323 1.00 61.34 H new ATOM 0 HE3 LYS A 76 -8.484 -15.633 10.897 1.00 61.34 H new ATOM 0 HZ1 LYS A 76 -7.177 -17.354 12.270 1.00 63.00 H new ATOM 0 HZ2 LYS A 76 -8.172 -17.906 11.009 1.00 63.00 H new ATOM 0 HZ3 LYS A 76 -6.491 -17.811 10.785 1.00 63.00 H new ATOM 1227 N SER A 77 -6.600 -11.838 5.505 1.00 31.22 N ATOM 1228 CA SER A 77 -6.196 -11.236 4.239 1.00 70.11 C ATOM 1229 C SER A 77 -5.782 -9.782 4.438 1.00 1.54 C ATOM 1230 O SER A 77 -4.729 -9.352 3.963 1.00 24.24 O ATOM 1231 CB SER A 77 -7.337 -11.320 3.224 1.00 30.03 C ATOM 1232 OG SER A 77 -7.216 -12.478 2.415 1.00 70.33 O ATOM 0 H SER A 77 -7.574 -12.140 5.537 1.00 31.22 H new ATOM 0 HA SER A 77 -5.339 -11.790 3.857 1.00 70.11 H new ATOM 0 HB2 SER A 77 -8.293 -11.336 3.747 1.00 30.03 H new ATOM 0 HB3 SER A 77 -7.334 -10.430 2.594 1.00 30.03 H new ATOM 0 HG SER A 77 -7.958 -12.509 1.776 1.00 70.33 H new ATOM 1238 N LEU A 78 -6.618 -9.026 5.141 1.00 42.24 N ATOM 1239 CA LEU A 78 -6.341 -7.618 5.403 1.00 42.42 C ATOM 1240 C LEU A 78 -5.187 -7.464 6.389 1.00 11.15 C ATOM 1241 O LEU A 78 -4.376 -6.545 6.272 1.00 74.42 O ATOM 1242 CB LEU A 78 -7.590 -6.926 5.952 1.00 0.43 C ATOM 1243 CG LEU A 78 -7.406 -5.482 6.419 1.00 44.41 C ATOM 1244 CD1 LEU A 78 -7.060 -4.580 5.243 1.00 71.35 C ATOM 1245 CD2 LEU A 78 -8.661 -4.984 7.123 1.00 75.20 C ATOM 0 H LEU A 78 -7.494 -9.365 5.540 1.00 42.24 H new ATOM 0 HA LEU A 78 -6.056 -7.148 4.462 1.00 42.42 H new ATOM 0 HB2 LEU A 78 -8.359 -6.942 5.180 1.00 0.43 H new ATOM 0 HB3 LEU A 78 -7.967 -7.512 6.790 1.00 0.43 H new ATOM 0 HG LEU A 78 -6.579 -5.453 7.129 1.00 44.41 H new ATOM 0 HD11 LEU A 78 -6.933 -3.556 5.595 1.00 71.35 H new ATOM 0 HD12 LEU A 78 -6.134 -4.923 4.782 1.00 71.35 H new ATOM 0 HD13 LEU A 78 -7.865 -4.614 4.509 1.00 71.35 H new ATOM 0 HD21 LEU A 78 -8.511 -3.955 7.448 1.00 75.20 H new ATOM 0 HD22 LEU A 78 -9.506 -5.028 6.435 1.00 75.20 H new ATOM 0 HD23 LEU A 78 -8.866 -5.612 7.990 1.00 75.20 H new ATOM 1257 N PHE A 79 -5.118 -8.371 7.357 1.00 11.22 N ATOM 1258 CA PHE A 79 -4.061 -8.337 8.362 1.00 62.34 C ATOM 1259 C PHE A 79 -2.685 -8.375 7.705 1.00 75.50 C ATOM 1260 O PHE A 79 -1.774 -7.652 8.107 1.00 72.12 O ATOM 1261 CB PHE A 79 -4.210 -9.514 9.329 1.00 53.11 C ATOM 1262 CG PHE A 79 -3.235 -9.478 10.471 1.00 64.01 C ATOM 1263 CD1 PHE A 79 -3.211 -8.402 11.345 1.00 31.43 C ATOM 1264 CD2 PHE A 79 -2.344 -10.520 10.671 1.00 73.22 C ATOM 1265 CE1 PHE A 79 -2.315 -8.367 12.397 1.00 50.20 C ATOM 1266 CE2 PHE A 79 -1.447 -10.490 11.722 1.00 60.12 C ATOM 1267 CZ PHE A 79 -1.432 -9.412 12.586 1.00 12.44 C ATOM 0 H PHE A 79 -5.781 -9.138 7.467 1.00 11.22 H new ATOM 0 HA PHE A 79 -4.153 -7.404 8.919 1.00 62.34 H new ATOM 0 HB2 PHE A 79 -5.224 -9.520 9.728 1.00 53.11 H new ATOM 0 HB3 PHE A 79 -4.078 -10.445 8.778 1.00 53.11 H new ATOM 0 HD1 PHE A 79 -3.900 -7.582 11.202 1.00 31.43 H new ATOM 0 HD2 PHE A 79 -2.350 -11.365 9.998 1.00 73.22 H new ATOM 0 HE1 PHE A 79 -2.305 -7.523 13.071 1.00 50.20 H new ATOM 0 HE2 PHE A 79 -0.758 -11.309 11.868 1.00 60.12 H new ATOM 0 HZ PHE A 79 -0.731 -9.387 13.407 1.00 12.44 H new ATOM 1277 N ASN A 80 -2.541 -9.225 6.693 1.00 22.11 N ATOM 1278 CA ASN A 80 -1.276 -9.359 5.981 1.00 51.51 C ATOM 1279 C ASN A 80 -0.959 -8.092 5.192 1.00 41.22 C ATOM 1280 O ASN A 80 0.196 -7.674 5.103 1.00 42.02 O ATOM 1281 CB ASN A 80 -1.323 -10.562 5.038 1.00 30.04 C ATOM 1282 CG ASN A 80 -1.074 -11.873 5.759 1.00 43.42 C ATOM 1283 OD1 ASN A 80 -1.218 -11.959 6.978 1.00 23.22 O ATOM 1284 ND2 ASN A 80 -0.700 -12.900 5.006 1.00 53.04 N ATOM 0 H ASN A 80 -3.285 -9.831 6.348 1.00 22.11 H new ATOM 0 HA ASN A 80 -0.488 -9.514 6.718 1.00 51.51 H new ATOM 0 HB2 ASN A 80 -2.296 -10.599 4.549 1.00 30.04 H new ATOM 0 HB3 ASN A 80 -0.577 -10.435 4.254 1.00 30.04 H new ATOM 0 HD21 ASN A 80 -0.519 -13.808 5.435 1.00 53.04 H new ATOM 0 HD22 ASN A 80 -0.593 -12.782 3.999 1.00 53.04 H new ATOM 1291 N THR A 81 -1.993 -7.482 4.620 1.00 65.41 N ATOM 1292 CA THR A 81 -1.826 -6.264 3.838 1.00 62.15 C ATOM 1293 C THR A 81 -1.489 -5.078 4.734 1.00 62.20 C ATOM 1294 O THR A 81 -0.679 -4.224 4.372 1.00 64.04 O ATOM 1295 CB THR A 81 -3.095 -5.938 3.028 1.00 50.13 C ATOM 1296 OG1 THR A 81 -3.489 -7.076 2.254 1.00 50.40 O ATOM 1297 CG2 THR A 81 -2.860 -4.749 2.109 1.00 1.04 C ATOM 0 H THR A 81 -2.956 -7.813 4.684 1.00 65.41 H new ATOM 0 HA THR A 81 -1.000 -6.441 3.149 1.00 62.15 H new ATOM 0 HB THR A 81 -3.891 -5.684 3.728 1.00 50.13 H new ATOM 0 HG1 THR A 81 -3.884 -7.752 2.844 1.00 50.40 H new ATOM 0 HG21 THR A 81 -3.770 -4.538 1.547 1.00 1.04 H new ATOM 0 HG22 THR A 81 -2.590 -3.877 2.704 1.00 1.04 H new ATOM 0 HG23 THR A 81 -2.051 -4.979 1.416 1.00 1.04 H new ATOM 1305 N VAL A 82 -2.114 -5.031 5.906 1.00 65.21 N ATOM 1306 CA VAL A 82 -1.880 -3.949 6.856 1.00 34.33 C ATOM 1307 C VAL A 82 -0.463 -4.009 7.417 1.00 60.42 C ATOM 1308 O VAL A 82 0.142 -2.979 7.713 1.00 11.23 O ATOM 1309 CB VAL A 82 -2.885 -3.998 8.021 1.00 61.13 C ATOM 1310 CG1 VAL A 82 -2.609 -2.876 9.011 1.00 0.30 C ATOM 1311 CG2 VAL A 82 -4.311 -3.920 7.498 1.00 52.44 C ATOM 0 H VAL A 82 -2.787 -5.730 6.221 1.00 65.21 H new ATOM 0 HA VAL A 82 -2.013 -3.014 6.312 1.00 34.33 H new ATOM 0 HB VAL A 82 -2.765 -4.948 8.542 1.00 61.13 H new ATOM 0 HG11 VAL A 82 -3.329 -2.926 9.828 1.00 0.30 H new ATOM 0 HG12 VAL A 82 -1.600 -2.982 9.410 1.00 0.30 H new ATOM 0 HG13 VAL A 82 -2.700 -1.914 8.506 1.00 0.30 H new ATOM 0 HG21 VAL A 82 -5.008 -3.956 8.335 1.00 52.44 H new ATOM 0 HG22 VAL A 82 -4.448 -2.987 6.952 1.00 52.44 H new ATOM 0 HG23 VAL A 82 -4.501 -4.761 6.832 1.00 52.44 H new ATOM 1321 N CYS A 83 0.059 -5.223 7.560 1.00 50.12 N ATOM 1322 CA CYS A 83 1.405 -5.418 8.087 1.00 53.31 C ATOM 1323 C CYS A 83 2.447 -4.801 7.159 1.00 4.32 C ATOM 1324 O CYS A 83 3.498 -4.341 7.606 1.00 22.12 O ATOM 1325 CB CYS A 83 1.691 -6.909 8.275 1.00 45.31 C ATOM 1326 SG CYS A 83 1.387 -7.513 9.952 1.00 55.52 S ATOM 0 H CYS A 83 -0.429 -6.086 7.319 1.00 50.12 H new ATOM 0 HA CYS A 83 1.465 -4.919 9.054 1.00 53.31 H new ATOM 0 HB2 CYS A 83 1.074 -7.477 7.578 1.00 45.31 H new ATOM 0 HB3 CYS A 83 2.731 -7.104 8.013 1.00 45.31 H new ATOM 0 HG CYS A 83 0.830 -8.686 9.896 1.00 55.52 H new ATOM 1332 N VAL A 84 2.149 -4.796 5.863 1.00 71.43 N ATOM 1333 CA VAL A 84 3.060 -4.237 4.872 1.00 5.42 C ATOM 1334 C VAL A 84 2.933 -2.719 4.804 1.00 21.23 C ATOM 1335 O VAL A 84 3.916 -1.997 4.970 1.00 2.44 O ATOM 1336 CB VAL A 84 2.797 -4.826 3.473 1.00 24.31 C ATOM 1337 CG1 VAL A 84 3.695 -4.166 2.437 1.00 45.44 C ATOM 1338 CG2 VAL A 84 3.000 -6.334 3.484 1.00 1.23 C ATOM 0 H VAL A 84 1.284 -5.173 5.476 1.00 71.43 H new ATOM 0 HA VAL A 84 4.070 -4.501 5.185 1.00 5.42 H new ATOM 0 HB VAL A 84 1.761 -4.623 3.201 1.00 24.31 H new ATOM 0 HG11 VAL A 84 3.495 -4.595 1.455 1.00 45.44 H new ATOM 0 HG12 VAL A 84 3.495 -3.095 2.412 1.00 45.44 H new ATOM 0 HG13 VAL A 84 4.739 -4.335 2.700 1.00 45.44 H new ATOM 0 HG21 VAL A 84 2.810 -6.734 2.488 1.00 1.23 H new ATOM 0 HG22 VAL A 84 4.025 -6.561 3.777 1.00 1.23 H new ATOM 0 HG23 VAL A 84 2.310 -6.789 4.195 1.00 1.23 H new ATOM 1348 N ILE A 85 1.717 -2.243 4.560 1.00 11.40 N ATOM 1349 CA ILE A 85 1.462 -0.810 4.472 1.00 23.12 C ATOM 1350 C ILE A 85 2.161 -0.058 5.598 1.00 44.52 C ATOM 1351 O ILE A 85 2.701 1.030 5.391 1.00 31.33 O ATOM 1352 CB ILE A 85 -0.046 -0.503 4.521 1.00 63.42 C ATOM 1353 CG1 ILE A 85 -0.764 -1.170 3.347 1.00 23.04 C ATOM 1354 CG2 ILE A 85 -0.282 1.000 4.510 1.00 11.42 C ATOM 1355 CD1 ILE A 85 -0.460 -0.530 2.011 1.00 13.24 C ATOM 0 H ILE A 85 0.893 -2.828 4.420 1.00 11.40 H new ATOM 0 HA ILE A 85 1.861 -0.476 3.514 1.00 23.12 H new ATOM 0 HB ILE A 85 -0.453 -0.908 5.447 1.00 63.42 H new ATOM 0 HG12 ILE A 85 -0.482 -2.222 3.309 1.00 23.04 H new ATOM 0 HG13 ILE A 85 -1.839 -1.134 3.522 1.00 23.04 H new ATOM 0 HG21 ILE A 85 -1.353 1.200 4.545 1.00 11.42 H new ATOM 0 HG22 ILE A 85 0.200 1.450 5.378 1.00 11.42 H new ATOM 0 HG23 ILE A 85 0.138 1.428 3.599 1.00 11.42 H new ATOM 0 HD11 ILE A 85 -1.003 -1.054 1.225 1.00 13.24 H new ATOM 0 HD12 ILE A 85 -0.768 0.515 2.030 1.00 13.24 H new ATOM 0 HD13 ILE A 85 0.610 -0.589 1.814 1.00 13.24 H new ATOM 1367 N TRP A 86 2.147 -0.642 6.790 1.00 41.25 N ATOM 1368 CA TRP A 86 2.782 -0.027 7.950 1.00 71.15 C ATOM 1369 C TRP A 86 4.295 0.041 7.772 1.00 64.44 C ATOM 1370 O TRP A 86 4.909 1.084 7.993 1.00 1.32 O ATOM 1371 CB TRP A 86 2.439 -0.809 9.220 1.00 32.31 C ATOM 1372 CG TRP A 86 2.991 -0.189 10.467 1.00 65.00 C ATOM 1373 CD1 TRP A 86 2.346 0.672 11.309 1.00 25.13 C ATOM 1374 CD2 TRP A 86 4.301 -0.379 11.013 1.00 63.22 C ATOM 1375 NE1 TRP A 86 3.175 1.028 12.344 1.00 14.22 N ATOM 1376 CE2 TRP A 86 4.380 0.396 12.186 1.00 41.11 C ATOM 1377 CE3 TRP A 86 5.413 -1.131 10.625 1.00 61.21 C ATOM 1378 CZ2 TRP A 86 5.528 0.440 12.973 1.00 33.05 C ATOM 1379 CZ3 TRP A 86 6.553 -1.086 11.407 1.00 43.12 C ATOM 1380 CH2 TRP A 86 6.602 -0.305 12.570 1.00 34.02 C ATOM 0 H TRP A 86 1.703 -1.541 6.979 1.00 41.25 H new ATOM 0 HA TRP A 86 2.401 0.990 8.044 1.00 71.15 H new ATOM 0 HB2 TRP A 86 1.355 -0.885 9.310 1.00 32.31 H new ATOM 0 HB3 TRP A 86 2.823 -1.825 9.127 1.00 32.31 H new ATOM 0 HD1 TRP A 86 1.332 1.021 11.179 1.00 25.13 H new ATOM 0 HE1 TRP A 86 2.933 1.660 13.107 1.00 14.22 H new ATOM 0 HE3 TRP A 86 5.383 -1.736 9.731 1.00 61.21 H new ATOM 0 HZ2 TRP A 86 5.569 1.041 13.869 1.00 33.05 H new ATOM 0 HZ3 TRP A 86 7.419 -1.662 11.117 1.00 43.12 H new ATOM 0 HH2 TRP A 86 7.506 -0.291 13.160 1.00 34.02 H new ATOM 1391 N CYS A 87 4.889 -1.078 7.373 1.00 1.15 N ATOM 1392 CA CYS A 87 6.331 -1.146 7.165 1.00 0.03 C ATOM 1393 C CYS A 87 6.802 -0.019 6.251 1.00 23.43 C ATOM 1394 O CYS A 87 7.769 0.679 6.557 1.00 44.50 O ATOM 1395 CB CYS A 87 6.719 -2.499 6.568 1.00 21.35 C ATOM 1396 SG CYS A 87 6.941 -3.810 7.794 1.00 23.14 S ATOM 0 H CYS A 87 4.394 -1.951 7.187 1.00 1.15 H new ATOM 0 HA CYS A 87 6.818 -1.032 8.133 1.00 0.03 H new ATOM 0 HB2 CYS A 87 5.950 -2.805 5.859 1.00 21.35 H new ATOM 0 HB3 CYS A 87 7.644 -2.383 6.004 1.00 21.35 H new ATOM 0 HG CYS A 87 7.265 -4.916 7.193 1.00 23.14 H new ATOM 1402 N ILE A 88 6.114 0.149 5.126 1.00 53.40 N ATOM 1403 CA ILE A 88 6.462 1.191 4.167 1.00 72.13 C ATOM 1404 C ILE A 88 6.614 2.543 4.854 1.00 70.22 C ATOM 1405 O ILE A 88 7.438 3.366 4.454 1.00 74.33 O ATOM 1406 CB ILE A 88 5.404 1.309 3.055 1.00 60.01 C ATOM 1407 CG1 ILE A 88 5.315 0.002 2.265 1.00 33.24 C ATOM 1408 CG2 ILE A 88 5.734 2.471 2.131 1.00 0.42 C ATOM 1409 CD1 ILE A 88 4.046 -0.128 1.451 1.00 2.21 C ATOM 0 H ILE A 88 5.313 -0.422 4.857 1.00 53.40 H new ATOM 0 HA ILE A 88 7.415 0.904 3.722 1.00 72.13 H new ATOM 0 HB ILE A 88 4.435 1.500 3.515 1.00 60.01 H new ATOM 0 HG12 ILE A 88 6.174 -0.069 1.598 1.00 33.24 H new ATOM 0 HG13 ILE A 88 5.380 -0.837 2.958 1.00 33.24 H new ATOM 0 HG21 ILE A 88 4.977 2.541 1.350 1.00 0.42 H new ATOM 0 HG22 ILE A 88 5.751 3.398 2.704 1.00 0.42 H new ATOM 0 HG23 ILE A 88 6.711 2.308 1.676 1.00 0.42 H new ATOM 0 HD11 ILE A 88 4.052 -1.079 0.918 1.00 2.21 H new ATOM 0 HD12 ILE A 88 3.182 -0.090 2.115 1.00 2.21 H new ATOM 0 HD13 ILE A 88 3.989 0.690 0.733 1.00 2.21 H new ATOM 1421 N HIS A 89 5.815 2.766 5.893 1.00 51.24 N ATOM 1422 CA HIS A 89 5.861 4.018 6.640 1.00 14.52 C ATOM 1423 C HIS A 89 6.990 3.997 7.665 1.00 60.21 C ATOM 1424 O HIS A 89 7.612 5.043 7.844 1.00 51.43 O ATOM 1425 CB HIS A 89 4.525 4.269 7.340 1.00 41.41 C ATOM 1426 CG HIS A 89 3.383 4.477 6.393 1.00 64.13 C ATOM 1427 ND1 HIS A 89 3.386 5.442 5.409 1.00 33.23 N ATOM 1428 CD2 HIS A 89 2.196 3.835 6.285 1.00 21.13 C ATOM 1429 CE1 HIS A 89 2.250 5.385 4.737 1.00 14.32 C ATOM 1430 NE2 HIS A 89 1.511 4.417 5.248 1.00 63.04 N ATOM 0 H HIS A 89 5.128 2.095 6.237 1.00 51.24 H new ATOM 0 HA HIS A 89 6.050 4.827 5.934 1.00 14.52 H new ATOM 0 HB2 HIS A 89 4.299 3.422 7.988 1.00 41.41 H new ATOM 0 HB3 HIS A 89 4.619 5.145 7.981 1.00 41.41 H new ATOM 0 HD2 HIS A 89 1.852 3.017 6.901 1.00 21.13 H new ATOM 0 HE1 HIS A 89 1.973 6.022 3.910 1.00 14.32 H new ATOM 0 HE2 HIS A 89 0.582 4.146 4.925 1.00 63.04 H new ATOM 1438 N ALA A 90 7.262 2.872 8.321 1.00 12.30 N ATOM 1439 CA ALA A 90 8.332 2.804 9.308 1.00 22.21 C ATOM 1440 C ALA A 90 9.684 2.588 8.637 1.00 74.04 C ATOM 1441 O ALA A 90 10.680 2.310 9.305 1.00 14.32 O ATOM 1442 CB ALA A 90 8.055 1.693 10.310 1.00 12.45 C ATOM 0 H ALA A 90 6.756 1.997 8.186 1.00 12.30 H new ATOM 0 HA ALA A 90 8.366 3.756 9.837 1.00 22.21 H new ATOM 0 HB1 ALA A 90 8.862 1.653 11.042 1.00 12.45 H new ATOM 0 HB2 ALA A 90 7.112 1.890 10.820 1.00 12.45 H new ATOM 0 HB3 ALA A 90 7.992 0.739 9.787 1.00 12.45 H new ATOM 1448 N GLU A 91 9.712 2.717 7.315 1.00 31.21 N ATOM 1449 CA GLU A 91 10.943 2.534 6.555 1.00 1.35 C ATOM 1450 C GLU A 91 11.400 1.079 6.601 1.00 43.44 C ATOM 1451 O GLU A 91 12.529 0.761 6.230 1.00 30.45 O ATOM 1452 CB GLU A 91 12.045 3.444 7.101 1.00 11.33 C ATOM 1453 CG GLU A 91 13.163 3.710 6.106 1.00 41.03 C ATOM 1454 CD GLU A 91 14.539 3.614 6.737 1.00 61.03 C ATOM 1455 OE1 GLU A 91 15.066 2.487 6.843 1.00 73.13 O ATOM 1456 OE2 GLU A 91 15.088 4.667 7.123 1.00 33.42 O ATOM 0 H GLU A 91 8.896 2.948 6.748 1.00 31.21 H new ATOM 0 HA GLU A 91 10.742 2.801 5.517 1.00 1.35 H new ATOM 0 HB2 GLU A 91 11.604 4.394 7.402 1.00 11.33 H new ATOM 0 HB3 GLU A 91 12.468 2.991 7.998 1.00 11.33 H new ATOM 0 HG2 GLU A 91 13.093 2.995 5.286 1.00 41.03 H new ATOM 0 HG3 GLU A 91 13.033 4.703 5.676 1.00 41.03 H new ATOM 1463 N GLU A 92 10.514 0.201 7.062 1.00 11.15 N ATOM 1464 CA GLU A 92 10.828 -1.220 7.158 1.00 41.11 C ATOM 1465 C GLU A 92 10.892 -1.858 5.774 1.00 33.13 C ATOM 1466 O GLU A 92 9.949 -1.762 4.989 1.00 23.41 O ATOM 1467 CB GLU A 92 9.783 -1.938 8.014 1.00 71.04 C ATOM 1468 CG GLU A 92 10.012 -1.786 9.510 1.00 33.14 C ATOM 1469 CD GLU A 92 11.100 -2.705 10.029 1.00 20.53 C ATOM 1470 OE1 GLU A 92 11.952 -3.133 9.222 1.00 42.12 O ATOM 1471 OE2 GLU A 92 11.100 -2.997 11.243 1.00 73.31 O ATOM 0 H GLU A 92 9.575 0.448 7.374 1.00 11.15 H new ATOM 0 HA GLU A 92 11.805 -1.319 7.630 1.00 41.11 H new ATOM 0 HB2 GLU A 92 8.794 -1.552 7.765 1.00 71.04 H new ATOM 0 HB3 GLU A 92 9.784 -2.998 7.761 1.00 71.04 H new ATOM 0 HG2 GLU A 92 10.279 -0.752 9.730 1.00 33.14 H new ATOM 0 HG3 GLU A 92 9.082 -1.994 10.039 1.00 33.14 H new ATOM 1478 N LYS A 93 12.013 -2.510 5.481 1.00 2.43 N ATOM 1479 CA LYS A 93 12.202 -3.165 4.192 1.00 72.24 C ATOM 1480 C LYS A 93 12.013 -4.673 4.316 1.00 75.32 C ATOM 1481 O LYS A 93 12.531 -5.300 5.241 1.00 13.12 O ATOM 1482 CB LYS A 93 13.597 -2.859 3.641 1.00 41.55 C ATOM 1483 CG LYS A 93 14.724 -3.371 4.520 1.00 55.14 C ATOM 1484 CD LYS A 93 15.823 -2.334 4.681 1.00 5.30 C ATOM 1485 CE LYS A 93 17.129 -2.969 5.132 1.00 14.14 C ATOM 1486 NZ LYS A 93 18.219 -2.760 4.139 1.00 52.41 N ATOM 0 H LYS A 93 12.804 -2.599 6.119 1.00 2.43 H new ATOM 0 HA LYS A 93 11.452 -2.778 3.502 1.00 72.24 H new ATOM 0 HB2 LYS A 93 13.692 -3.301 2.649 1.00 41.55 H new ATOM 0 HB3 LYS A 93 13.702 -1.781 3.521 1.00 41.55 H new ATOM 0 HG2 LYS A 93 14.329 -3.639 5.500 1.00 55.14 H new ATOM 0 HG3 LYS A 93 15.141 -4.280 4.086 1.00 55.14 H new ATOM 0 HD2 LYS A 93 15.977 -1.816 3.734 1.00 5.30 H new ATOM 0 HD3 LYS A 93 15.512 -1.583 5.408 1.00 5.30 H new ATOM 0 HE2 LYS A 93 17.426 -2.546 6.092 1.00 14.14 H new ATOM 0 HE3 LYS A 93 16.979 -4.037 5.287 1.00 14.14 H new ATOM 0 HZ1 LYS A 93 19.092 -3.208 4.483 1.00 52.41 H new ATOM 0 HZ2 LYS A 93 17.947 -3.186 3.230 1.00 52.41 H new ATOM 0 HZ3 LYS A 93 18.380 -1.741 4.010 1.00 52.41 H new ATOM 1500 N VAL A 94 11.270 -5.251 3.378 1.00 32.30 N ATOM 1501 CA VAL A 94 11.016 -6.687 3.381 1.00 3.22 C ATOM 1502 C VAL A 94 11.129 -7.268 1.976 1.00 3.13 C ATOM 1503 O VAL A 94 11.088 -6.538 0.985 1.00 63.31 O ATOM 1504 CB VAL A 94 9.619 -7.008 3.946 1.00 15.31 C ATOM 1505 CG1 VAL A 94 9.519 -6.573 5.401 1.00 31.31 C ATOM 1506 CG2 VAL A 94 8.539 -6.342 3.107 1.00 35.52 C ATOM 0 H VAL A 94 10.833 -4.747 2.606 1.00 32.30 H new ATOM 0 HA VAL A 94 11.773 -7.141 4.021 1.00 3.22 H new ATOM 0 HB VAL A 94 9.467 -8.087 3.902 1.00 15.31 H new ATOM 0 HG11 VAL A 94 8.526 -6.808 5.783 1.00 31.31 H new ATOM 0 HG12 VAL A 94 10.269 -7.100 5.991 1.00 31.31 H new ATOM 0 HG13 VAL A 94 9.691 -5.499 5.472 1.00 31.31 H new ATOM 0 HG21 VAL A 94 7.559 -6.580 3.521 1.00 35.52 H new ATOM 0 HG22 VAL A 94 8.685 -5.262 3.117 1.00 35.52 H new ATOM 0 HG23 VAL A 94 8.598 -6.707 2.082 1.00 35.52 H new ATOM 1516 N LYS A 95 11.271 -8.586 1.896 1.00 63.11 N ATOM 1517 CA LYS A 95 11.388 -9.269 0.613 1.00 13.40 C ATOM 1518 C LYS A 95 10.035 -9.804 0.156 1.00 61.11 C ATOM 1519 O LYS A 95 9.657 -9.654 -1.006 1.00 34.14 O ATOM 1520 CB LYS A 95 12.396 -10.415 0.712 1.00 24.30 C ATOM 1521 CG LYS A 95 12.982 -10.826 -0.627 1.00 34.34 C ATOM 1522 CD LYS A 95 14.359 -11.449 -0.466 1.00 72.22 C ATOM 1523 CE LYS A 95 14.292 -12.757 0.308 1.00 70.35 C ATOM 1524 NZ LYS A 95 14.945 -13.873 -0.430 1.00 3.03 N ATOM 0 H LYS A 95 11.308 -9.204 2.706 1.00 63.11 H new ATOM 0 HA LYS A 95 11.740 -8.547 -0.124 1.00 13.40 H new ATOM 0 HB2 LYS A 95 13.206 -10.119 1.378 1.00 24.30 H new ATOM 0 HB3 LYS A 95 11.909 -11.278 1.166 1.00 24.30 H new ATOM 0 HG2 LYS A 95 12.315 -11.537 -1.114 1.00 34.34 H new ATOM 0 HG3 LYS A 95 13.050 -9.955 -1.278 1.00 34.34 H new ATOM 0 HD2 LYS A 95 14.795 -11.628 -1.449 1.00 72.22 H new ATOM 0 HD3 LYS A 95 15.017 -10.751 0.052 1.00 72.22 H new ATOM 0 HE2 LYS A 95 14.775 -12.631 1.277 1.00 70.35 H new ATOM 0 HE3 LYS A 95 13.250 -13.011 0.502 1.00 70.35 H new ATOM 0 HZ1 LYS A 95 14.878 -14.746 0.131 1.00 3.03 H new ATOM 0 HZ2 LYS A 95 14.468 -14.011 -1.344 1.00 3.03 H new ATOM 0 HZ3 LYS A 95 15.946 -13.643 -0.593 1.00 3.03 H new ATOM 1538 N ASP A 96 9.309 -10.428 1.077 1.00 13.14 N ATOM 1539 CA ASP A 96 7.996 -10.984 0.769 1.00 13.10 C ATOM 1540 C ASP A 96 6.990 -10.635 1.860 1.00 24.34 C ATOM 1541 O ASP A 96 7.365 -10.252 2.968 1.00 52.11 O ATOM 1542 CB ASP A 96 8.088 -12.502 0.607 1.00 63.13 C ATOM 1543 CG ASP A 96 8.730 -13.175 1.804 1.00 41.12 C ATOM 1544 OD1 ASP A 96 8.071 -13.259 2.862 1.00 23.51 O ATOM 1545 OD2 ASP A 96 9.891 -13.616 1.684 1.00 73.42 O ATOM 0 H ASP A 96 9.607 -10.562 2.043 1.00 13.14 H new ATOM 0 HA ASP A 96 7.653 -10.547 -0.169 1.00 13.10 H new ATOM 0 HB2 ASP A 96 7.088 -12.910 0.458 1.00 63.13 H new ATOM 0 HB3 ASP A 96 8.664 -12.734 -0.289 1.00 63.13 H new ATOM 1550 N THR A 97 5.706 -10.770 1.539 1.00 53.22 N ATOM 1551 CA THR A 97 4.645 -10.467 2.490 1.00 65.41 C ATOM 1552 C THR A 97 4.926 -11.100 3.849 1.00 23.14 C ATOM 1553 O THR A 97 4.940 -10.415 4.870 1.00 63.42 O ATOM 1554 CB THR A 97 3.277 -10.960 1.981 1.00 63.30 C ATOM 1555 OG1 THR A 97 2.920 -10.261 0.783 1.00 20.41 O ATOM 1556 CG2 THR A 97 2.200 -10.753 3.035 1.00 51.33 C ATOM 0 H THR A 97 5.377 -11.087 0.627 1.00 53.22 H new ATOM 0 HA THR A 97 4.617 -9.383 2.596 1.00 65.41 H new ATOM 0 HB THR A 97 3.355 -12.026 1.770 1.00 63.30 H new ATOM 0 HG1 THR A 97 2.435 -9.442 1.015 1.00 20.41 H new ATOM 0 HG21 THR A 97 1.243 -11.109 2.652 1.00 51.33 H new ATOM 0 HG22 THR A 97 2.460 -11.310 3.935 1.00 51.33 H new ATOM 0 HG23 THR A 97 2.124 -9.692 3.274 1.00 51.33 H new ATOM 1564 N GLU A 98 5.150 -12.410 3.850 1.00 21.41 N ATOM 1565 CA GLU A 98 5.431 -13.135 5.084 1.00 75.13 C ATOM 1566 C GLU A 98 6.553 -12.459 5.868 1.00 42.12 C ATOM 1567 O GLU A 98 6.566 -12.480 7.098 1.00 41.43 O ATOM 1568 CB GLU A 98 5.812 -14.585 4.776 1.00 14.31 C ATOM 1569 CG GLU A 98 4.625 -15.533 4.751 1.00 52.15 C ATOM 1570 CD GLU A 98 3.423 -14.945 4.037 1.00 53.33 C ATOM 1571 OE1 GLU A 98 2.716 -14.119 4.651 1.00 22.14 O ATOM 1572 OE2 GLU A 98 3.190 -15.311 2.866 1.00 74.34 O ATOM 0 H GLU A 98 5.142 -12.991 3.011 1.00 21.41 H new ATOM 0 HA GLU A 98 4.527 -13.126 5.694 1.00 75.13 H new ATOM 0 HB2 GLU A 98 6.317 -14.622 3.811 1.00 14.31 H new ATOM 0 HB3 GLU A 98 6.527 -14.931 5.523 1.00 14.31 H new ATOM 0 HG2 GLU A 98 4.917 -16.461 4.259 1.00 52.15 H new ATOM 0 HG3 GLU A 98 4.347 -15.788 5.774 1.00 52.15 H new ATOM 1579 N GLY A 99 7.495 -11.860 5.145 1.00 43.43 N ATOM 1580 CA GLY A 99 8.608 -11.187 5.789 1.00 54.10 C ATOM 1581 C GLY A 99 8.170 -9.974 6.586 1.00 42.22 C ATOM 1582 O GLY A 99 8.715 -9.695 7.653 1.00 1.41 O ATOM 0 H GLY A 99 7.507 -11.829 4.126 1.00 43.43 H new ATOM 0 HA2 GLY A 99 9.119 -11.887 6.450 1.00 54.10 H new ATOM 0 HA3 GLY A 99 9.330 -10.879 5.032 1.00 54.10 H new ATOM 1586 N ALA A 100 7.184 -9.250 6.066 1.00 33.21 N ATOM 1587 CA ALA A 100 6.674 -8.062 6.736 1.00 43.21 C ATOM 1588 C ALA A 100 5.776 -8.436 7.910 1.00 65.31 C ATOM 1589 O ALA A 100 5.523 -7.621 8.798 1.00 12.20 O ATOM 1590 CB ALA A 100 5.917 -7.183 5.751 1.00 12.25 C ATOM 0 H ALA A 100 6.723 -9.466 5.182 1.00 33.21 H new ATOM 0 HA ALA A 100 7.525 -7.503 7.126 1.00 43.21 H new ATOM 0 HB1 ALA A 100 5.542 -6.299 6.266 1.00 12.25 H new ATOM 0 HB2 ALA A 100 6.587 -6.878 4.947 1.00 12.25 H new ATOM 0 HB3 ALA A 100 5.080 -7.742 5.333 1.00 12.25 H new ATOM 1596 N LYS A 101 5.294 -9.675 7.909 1.00 14.51 N ATOM 1597 CA LYS A 101 4.424 -10.159 8.974 1.00 22.21 C ATOM 1598 C LYS A 101 5.236 -10.550 10.205 1.00 52.13 C ATOM 1599 O LYS A 101 4.738 -10.501 11.329 1.00 31.22 O ATOM 1600 CB LYS A 101 3.607 -11.358 8.488 1.00 22.40 C ATOM 1601 CG LYS A 101 2.112 -11.205 8.709 1.00 10.43 C ATOM 1602 CD LYS A 101 1.751 -11.314 10.181 1.00 34.10 C ATOM 1603 CE LYS A 101 1.850 -12.749 10.673 1.00 62.35 C ATOM 1604 NZ LYS A 101 0.556 -13.474 10.533 1.00 4.32 N ATOM 0 H LYS A 101 5.492 -10.362 7.182 1.00 14.51 H new ATOM 0 HA LYS A 101 3.745 -9.352 9.249 1.00 22.21 H new ATOM 0 HB2 LYS A 101 3.795 -11.508 7.425 1.00 22.40 H new ATOM 0 HB3 LYS A 101 3.952 -12.255 9.003 1.00 22.40 H new ATOM 0 HG2 LYS A 101 1.783 -10.240 8.324 1.00 10.43 H new ATOM 0 HG3 LYS A 101 1.580 -11.971 8.145 1.00 10.43 H new ATOM 0 HD2 LYS A 101 2.416 -10.680 10.768 1.00 34.10 H new ATOM 0 HD3 LYS A 101 0.738 -10.944 10.337 1.00 34.10 H new ATOM 0 HE2 LYS A 101 2.623 -13.273 10.111 1.00 62.35 H new ATOM 0 HE3 LYS A 101 2.158 -12.754 11.719 1.00 62.35 H new ATOM 0 HZ1 LYS A 101 0.704 -14.487 10.717 1.00 4.32 H new ATOM 0 HZ2 LYS A 101 -0.130 -13.094 11.216 1.00 4.32 H new ATOM 0 HZ3 LYS A 101 0.190 -13.348 9.568 1.00 4.32 H new ATOM 1618 N GLN A 102 6.489 -10.937 9.983 1.00 45.43 N ATOM 1619 CA GLN A 102 7.369 -11.334 11.075 1.00 62.05 C ATOM 1620 C GLN A 102 8.020 -10.116 11.721 1.00 53.14 C ATOM 1621 O GLN A 102 8.313 -10.118 12.918 1.00 15.14 O ATOM 1622 CB GLN A 102 8.446 -12.293 10.566 1.00 60.42 C ATOM 1623 CG GLN A 102 9.071 -13.144 11.661 1.00 63.24 C ATOM 1624 CD GLN A 102 8.941 -14.630 11.390 1.00 31.31 C ATOM 1625 OE1 GLN A 102 7.849 -15.193 11.460 1.00 61.30 O ATOM 1626 NE2 GLN A 102 10.059 -15.274 11.078 1.00 73.01 N ATOM 0 H GLN A 102 6.916 -10.984 9.058 1.00 45.43 H new ATOM 0 HA GLN A 102 6.766 -11.842 11.828 1.00 62.05 H new ATOM 0 HB2 GLN A 102 8.010 -12.949 9.812 1.00 60.42 H new ATOM 0 HB3 GLN A 102 9.229 -11.717 10.073 1.00 60.42 H new ATOM 0 HG2 GLN A 102 10.126 -12.887 11.758 1.00 63.24 H new ATOM 0 HG3 GLN A 102 8.597 -12.909 12.614 1.00 63.24 H new ATOM 0 HE21 GLN A 102 10.943 -14.768 11.031 1.00 73.01 H new ATOM 0 HE22 GLN A 102 10.034 -16.275 10.885 1.00 73.01 H new ATOM 1635 N ILE A 103 8.244 -9.078 10.923 1.00 2.11 N ATOM 1636 CA ILE A 103 8.859 -7.853 11.418 1.00 21.24 C ATOM 1637 C ILE A 103 7.856 -7.008 12.196 1.00 43.21 C ATOM 1638 O ILE A 103 8.186 -6.428 13.230 1.00 62.43 O ATOM 1639 CB ILE A 103 9.440 -7.010 10.267 1.00 73.11 C ATOM 1640 CG1 ILE A 103 10.498 -7.809 9.503 1.00 62.34 C ATOM 1641 CG2 ILE A 103 10.033 -5.716 10.805 1.00 42.04 C ATOM 1642 CD1 ILE A 103 10.951 -7.144 8.223 1.00 44.22 C ATOM 0 H ILE A 103 8.009 -9.061 9.931 1.00 2.11 H new ATOM 0 HA ILE A 103 9.669 -8.154 12.083 1.00 21.24 H new ATOM 0 HB ILE A 103 8.634 -6.759 9.578 1.00 73.11 H new ATOM 0 HG12 ILE A 103 11.363 -7.962 10.149 1.00 62.34 H new ATOM 0 HG13 ILE A 103 10.097 -8.795 9.268 1.00 62.34 H new ATOM 0 HG21 ILE A 103 10.439 -5.131 9.980 1.00 42.04 H new ATOM 0 HG22 ILE A 103 9.256 -5.141 11.309 1.00 42.04 H new ATOM 0 HG23 ILE A 103 10.829 -5.947 11.513 1.00 42.04 H new ATOM 0 HD11 ILE A 103 11.701 -7.767 7.735 1.00 44.22 H new ATOM 0 HD12 ILE A 103 10.097 -7.016 7.558 1.00 44.22 H new ATOM 0 HD13 ILE A 103 11.382 -6.169 8.452 1.00 44.22 H new ATOM 1654 N VAL A 104 6.627 -6.943 11.691 1.00 31.55 N ATOM 1655 CA VAL A 104 5.574 -6.173 12.340 1.00 0.33 C ATOM 1656 C VAL A 104 5.135 -6.829 13.644 1.00 32.44 C ATOM 1657 O VAL A 104 4.950 -6.157 14.657 1.00 62.24 O ATOM 1658 CB VAL A 104 4.348 -6.013 11.420 1.00 52.43 C ATOM 1659 CG1 VAL A 104 3.202 -5.350 12.168 1.00 22.41 C ATOM 1660 CG2 VAL A 104 4.716 -5.216 10.177 1.00 24.35 C ATOM 0 H VAL A 104 6.337 -7.415 10.834 1.00 31.55 H new ATOM 0 HA VAL A 104 5.989 -5.189 12.555 1.00 0.33 H new ATOM 0 HB VAL A 104 4.020 -7.004 11.105 1.00 52.43 H new ATOM 0 HG11 VAL A 104 2.345 -5.245 11.502 1.00 22.41 H new ATOM 0 HG12 VAL A 104 2.923 -5.964 13.025 1.00 22.41 H new ATOM 0 HG13 VAL A 104 3.515 -4.365 12.514 1.00 22.41 H new ATOM 0 HG21 VAL A 104 3.839 -5.112 9.538 1.00 24.35 H new ATOM 0 HG22 VAL A 104 5.070 -4.228 10.470 1.00 24.35 H new ATOM 0 HG23 VAL A 104 5.503 -5.736 9.631 1.00 24.35 H new ATOM 1670 N ARG A 105 4.971 -8.148 13.610 1.00 3.34 N ATOM 1671 CA ARG A 105 4.553 -8.896 14.788 1.00 75.44 C ATOM 1672 C ARG A 105 5.440 -8.566 15.985 1.00 54.51 C ATOM 1673 O ARG A 105 4.947 -8.254 17.069 1.00 25.22 O ATOM 1674 CB ARG A 105 4.598 -10.400 14.507 1.00 61.04 C ATOM 1675 CG ARG A 105 4.362 -11.258 15.739 1.00 52.32 C ATOM 1676 CD ARG A 105 3.807 -12.624 15.370 1.00 4.42 C ATOM 1677 NE ARG A 105 4.491 -13.703 16.077 1.00 13.43 N ATOM 1678 CZ ARG A 105 4.476 -14.969 15.676 1.00 71.24 C ATOM 1679 NH1 ARG A 105 3.815 -15.313 14.579 1.00 73.12 N ATOM 1680 NH2 ARG A 105 5.123 -15.894 16.374 1.00 13.25 N ATOM 0 H ARG A 105 5.122 -8.720 12.779 1.00 3.34 H new ATOM 0 HA ARG A 105 3.529 -8.608 15.025 1.00 75.44 H new ATOM 0 HB2 ARG A 105 3.846 -10.643 13.756 1.00 61.04 H new ATOM 0 HB3 ARG A 105 5.569 -10.652 14.080 1.00 61.04 H new ATOM 0 HG2 ARG A 105 5.298 -11.380 16.283 1.00 52.32 H new ATOM 0 HG3 ARG A 105 3.667 -10.751 16.409 1.00 52.32 H new ATOM 0 HD2 ARG A 105 2.742 -12.657 15.601 1.00 4.42 H new ATOM 0 HD3 ARG A 105 3.904 -12.776 14.295 1.00 4.42 H new ATOM 0 HE ARG A 105 5.009 -13.472 16.925 1.00 13.43 H new ATOM 0 HH11 ARG A 105 3.316 -14.604 14.041 1.00 73.12 H new ATOM 0 HH12 ARG A 105 3.805 -16.286 14.273 1.00 73.12 H new ATOM 0 HH21 ARG A 105 5.632 -15.633 17.219 1.00 13.25 H new ATOM 0 HH22 ARG A 105 5.111 -16.866 16.066 1.00 13.25 H new ATOM 1694 N ARG A 106 6.752 -8.635 15.780 1.00 62.42 N ATOM 1695 CA ARG A 106 7.708 -8.345 16.842 1.00 4.22 C ATOM 1696 C ARG A 106 7.438 -6.974 17.457 1.00 10.35 C ATOM 1697 O ARG A 106 7.581 -6.784 18.665 1.00 60.21 O ATOM 1698 CB ARG A 106 9.137 -8.400 16.300 1.00 62.02 C ATOM 1699 CG ARG A 106 10.157 -8.877 17.320 1.00 54.14 C ATOM 1700 CD ARG A 106 9.923 -10.330 17.705 1.00 44.22 C ATOM 1701 NE ARG A 106 11.161 -11.103 17.706 1.00 31.01 N ATOM 1702 CZ ARG A 106 11.211 -12.410 17.938 1.00 12.52 C ATOM 1703 NH1 ARG A 106 10.099 -13.086 18.186 1.00 44.35 N ATOM 1704 NH2 ARG A 106 12.377 -13.043 17.921 1.00 71.22 N ATOM 0 H ARG A 106 7.177 -8.889 14.888 1.00 62.42 H new ATOM 0 HA ARG A 106 7.592 -9.102 17.618 1.00 4.22 H new ATOM 0 HB2 ARG A 106 9.163 -9.063 15.435 1.00 62.02 H new ATOM 0 HB3 ARG A 106 9.422 -7.408 15.950 1.00 62.02 H new ATOM 0 HG2 ARG A 106 11.161 -8.765 16.912 1.00 54.14 H new ATOM 0 HG3 ARG A 106 10.103 -8.250 18.210 1.00 54.14 H new ATOM 0 HD2 ARG A 106 9.468 -10.374 18.694 1.00 44.22 H new ATOM 0 HD3 ARG A 106 9.216 -10.780 17.008 1.00 44.22 H new ATOM 0 HE ARG A 106 12.036 -10.613 17.518 1.00 31.01 H new ATOM 0 HH11 ARG A 106 9.201 -12.603 18.199 1.00 44.35 H new ATOM 0 HH12 ARG A 106 10.141 -14.090 18.364 1.00 44.35 H new ATOM 0 HH21 ARG A 106 13.235 -12.526 17.730 1.00 71.22 H new ATOM 0 HH22 ARG A 106 12.415 -14.047 18.099 1.00 71.22 H new ATOM 1718 N HIS A 107 7.047 -6.021 16.617 1.00 23.04 N ATOM 1719 CA HIS A 107 6.757 -4.668 17.076 1.00 43.43 C ATOM 1720 C HIS A 107 5.400 -4.611 17.775 1.00 34.11 C ATOM 1721 O HIS A 107 5.176 -3.640 18.497 1.00 41.44 O ATOM 1722 CB HIS A 107 6.778 -3.691 15.900 1.00 4.42 C ATOM 1723 CG HIS A 107 8.129 -3.539 15.272 1.00 23.24 C ATOM 1724 ND1 HIS A 107 9.281 -3.345 16.003 1.00 73.24 N ATOM 1725 CD2 HIS A 107 8.508 -3.554 13.973 1.00 54.11 C ATOM 1726 CE1 HIS A 107 10.311 -3.247 15.181 1.00 62.42 C ATOM 1727 NE2 HIS A 107 9.869 -3.372 13.943 1.00 50.32 N ATOM 0 H HIS A 107 6.924 -6.161 15.614 1.00 23.04 H new ATOM 0 HA HIS A 107 7.528 -4.381 17.791 1.00 43.43 H new ATOM 0 HB2 HIS A 107 6.071 -4.031 15.143 1.00 4.42 H new ATOM 0 HB3 HIS A 107 6.434 -2.715 16.243 1.00 4.42 H new ATOM 0 HD2 HIS A 107 7.861 -3.685 13.119 1.00 54.11 H new ATOM 0 HE1 HIS A 107 11.339 -3.091 15.472 1.00 62.42 H new ATOM 0 HE2 HIS A 107 10.445 -3.339 13.102 1.00 50.32 H new ATOM 1735 N LEU A 108 4.523 -5.590 17.585 1.00 51.14 N ATOM 1736 CA LEU A 108 3.215 -5.580 18.232 1.00 2.40 C ATOM 1737 C LEU A 108 3.275 -6.260 19.596 1.00 34.33 C ATOM 1738 O LEU A 108 2.759 -5.739 20.585 1.00 31.43 O ATOM 1739 CB LEU A 108 2.182 -6.278 17.346 1.00 64.45 C ATOM 1740 CG LEU A 108 1.911 -5.627 15.989 1.00 44.12 C ATOM 1741 CD1 LEU A 108 1.340 -6.644 15.013 1.00 64.34 C ATOM 1742 CD2 LEU A 108 0.966 -4.444 16.144 1.00 31.53 C ATOM 0 H LEU A 108 4.693 -6.400 16.989 1.00 51.14 H new ATOM 0 HA LEU A 108 2.918 -4.542 18.379 1.00 2.40 H new ATOM 0 HB2 LEU A 108 2.513 -7.303 17.175 1.00 64.45 H new ATOM 0 HB3 LEU A 108 1.241 -6.334 17.894 1.00 64.45 H new ATOM 0 HG LEU A 108 2.856 -5.261 15.588 1.00 44.12 H new ATOM 0 HD11 LEU A 108 1.154 -6.162 14.053 1.00 64.34 H new ATOM 0 HD12 LEU A 108 2.052 -7.458 14.878 1.00 64.34 H new ATOM 0 HD13 LEU A 108 0.405 -7.041 15.407 1.00 64.34 H new ATOM 0 HD21 LEU A 108 0.784 -3.993 15.168 1.00 31.53 H new ATOM 0 HD22 LEU A 108 0.021 -4.786 16.567 1.00 31.53 H new ATOM 0 HD23 LEU A 108 1.414 -3.705 16.808 1.00 31.53 H new