USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 716 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 67 LYS NZ :NH3+ -165:sc=-0.00444 (180deg=-0.144) USER MOD Set 1.2: A 71 GLN : amide:sc= -0.397 X(o=-0.4,f=-0.4) USER MOD Set 2.1: A 26 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00869) USER MOD Set 2.2: A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= -0.0471 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 80:sc= 0.464 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.799 USER MOD Single : A 31 THR OG1 : rot -56:sc= 0.65 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.21 X(o=-0.21,f=-0.21) USER MOD Single : A 46 TYR OH : rot 30:sc= -0.451 USER MOD Single : A 47 CYS SG : rot 79:sc= -1.75! USER MOD Single : A 48 THR OG1 : rot 80:sc= 1.09 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl -110:sc= -0.112 (180deg=-2.23!) USER MOD Single : A 70 MET CE :methyl 146:sc= 0 (180deg=-0.634) USER MOD Single : A 72 GLN : amide:sc= -1.95 K(o=-1.9,f=-4.3!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0.741 K(o=0.74,f=-0.022) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.277 X(o=-0.28,f=-0.78) USER MOD Single : A 90 GLN : amide:sc= -1.4 K(o=-1.4,f=-3.1) USER MOD Single : A 94 GLN : amide:sc= -0.28 X(o=-0.28,f=0) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 120:sc= -1.06 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 152:sc= -0.168 (180deg=-0.568) USER MOD ----------------------------------------------------------------- ATOM 126 N PHE A 18 3.372 10.637 -6.620 1.00 0.00 N ATOM 127 CA PHE A 18 2.566 9.437 -6.815 1.00 0.00 C ATOM 128 C PHE A 18 3.283 8.443 -7.725 1.00 0.00 C ATOM 129 O PHE A 18 3.132 7.230 -7.576 1.00 0.00 O ATOM 130 CB PHE A 18 1.205 9.803 -7.412 1.00 0.00 C ATOM 131 CG PHE A 18 0.330 8.613 -7.686 1.00 0.00 C ATOM 132 CD1 PHE A 18 0.195 7.606 -6.744 1.00 0.00 C ATOM 133 CD2 PHE A 18 -0.355 8.501 -8.885 1.00 0.00 C ATOM 134 CE1 PHE A 18 -0.609 6.509 -6.992 1.00 0.00 C ATOM 135 CE2 PHE A 18 -1.161 7.408 -9.138 1.00 0.00 C ATOM 136 CZ PHE A 18 -1.288 6.409 -8.191 1.00 0.00 C ATOM 0 HA PHE A 18 2.414 8.969 -5.843 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.686 10.475 -6.728 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.361 10.351 -8.341 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.724 7.679 -5.805 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.258 9.277 -9.630 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.706 5.731 -6.249 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.692 7.334 -10.076 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.916 5.553 -8.388 1.00 0.00 H new ATOM 146 N SER A 19 4.060 8.966 -8.667 1.00 0.00 N ATOM 147 CA SER A 19 4.796 8.125 -9.605 1.00 0.00 C ATOM 148 C SER A 19 5.736 7.179 -8.863 1.00 0.00 C ATOM 149 O SER A 19 5.998 6.066 -9.317 1.00 0.00 O ATOM 150 CB SER A 19 5.593 8.992 -10.583 1.00 0.00 C ATOM 151 OG SER A 19 6.268 8.193 -11.538 1.00 0.00 O ATOM 0 H SER A 19 4.197 9.968 -8.802 1.00 0.00 H new ATOM 0 HA SER A 19 4.075 7.529 -10.164 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.921 9.683 -11.092 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.315 9.596 -10.034 1.00 0.00 H new ATOM 0 HG SER A 19 6.769 8.770 -12.152 1.00 0.00 H new ATOM 157 N ASP A 20 6.240 7.632 -7.720 1.00 0.00 N ATOM 158 CA ASP A 20 7.149 6.827 -6.913 1.00 0.00 C ATOM 159 C ASP A 20 6.377 5.835 -6.049 1.00 0.00 C ATOM 160 O ASP A 20 6.892 4.777 -5.687 1.00 0.00 O ATOM 161 CB ASP A 20 8.014 7.727 -6.031 1.00 0.00 C ATOM 162 CG ASP A 20 8.935 8.619 -6.840 1.00 0.00 C ATOM 163 OD1 ASP A 20 8.844 8.593 -8.084 1.00 0.00 O ATOM 164 OD2 ASP A 20 9.748 9.344 -6.227 1.00 0.00 O ATOM 0 H ASP A 20 6.034 8.552 -7.332 1.00 0.00 H new ATOM 0 HA ASP A 20 7.794 6.265 -7.588 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.370 8.346 -5.407 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.610 7.108 -5.360 1.00 0.00 H new ATOM 169 N VAL A 21 5.138 6.185 -5.720 1.00 0.00 N ATOM 170 CA VAL A 21 4.293 5.327 -4.897 1.00 0.00 C ATOM 171 C VAL A 21 3.784 4.131 -5.695 1.00 0.00 C ATOM 172 O VAL A 21 3.678 3.022 -5.172 1.00 0.00 O ATOM 173 CB VAL A 21 3.090 6.101 -4.329 1.00 0.00 C ATOM 174 CG1 VAL A 21 2.207 5.183 -3.498 1.00 0.00 C ATOM 175 CG2 VAL A 21 3.562 7.290 -3.505 1.00 0.00 C ATOM 0 H VAL A 21 4.696 7.057 -6.011 1.00 0.00 H new ATOM 0 HA VAL A 21 4.910 4.974 -4.071 1.00 0.00 H new ATOM 0 HB VAL A 21 2.497 6.478 -5.162 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.362 5.749 -3.105 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.840 4.368 -4.122 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.786 4.773 -2.670 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.698 7.826 -3.111 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.178 6.938 -2.678 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.148 7.959 -4.135 1.00 0.00 H new ATOM 185 N LYS A 22 3.470 4.364 -6.965 1.00 0.00 N ATOM 186 CA LYS A 22 2.972 3.307 -7.837 1.00 0.00 C ATOM 187 C LYS A 22 4.066 2.284 -8.129 1.00 0.00 C ATOM 188 O LYS A 22 3.793 1.092 -8.274 1.00 0.00 O ATOM 189 CB LYS A 22 2.451 3.901 -9.147 1.00 0.00 C ATOM 190 CG LYS A 22 3.471 4.759 -9.875 1.00 0.00 C ATOM 191 CD LYS A 22 2.937 5.247 -11.210 1.00 0.00 C ATOM 192 CE LYS A 22 4.064 5.510 -12.198 1.00 0.00 C ATOM 193 NZ LYS A 22 3.591 5.441 -13.609 1.00 0.00 N ATOM 0 H LYS A 22 3.552 5.276 -7.413 1.00 0.00 H new ATOM 0 HA LYS A 22 2.153 2.802 -7.324 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.136 3.090 -9.804 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.567 4.503 -8.937 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.738 5.614 -9.254 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.383 4.184 -10.035 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.255 4.504 -11.624 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.361 6.161 -11.061 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.493 6.493 -12.006 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.859 4.780 -12.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.388 5.626 -14.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.205 4.494 -13.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.850 6.155 -13.762 1.00 0.00 H new ATOM 207 N THR A 23 5.305 2.757 -8.214 1.00 0.00 N ATOM 208 CA THR A 23 6.440 1.885 -8.489 1.00 0.00 C ATOM 209 C THR A 23 6.672 0.907 -7.342 1.00 0.00 C ATOM 210 O THR A 23 6.637 -0.309 -7.534 1.00 0.00 O ATOM 211 CB THR A 23 7.727 2.695 -8.726 1.00 0.00 C ATOM 212 OG1 THR A 23 7.560 3.562 -9.855 1.00 0.00 O ATOM 213 CG2 THR A 23 8.913 1.771 -8.962 1.00 0.00 C ATOM 0 H THR A 23 5.548 3.741 -8.096 1.00 0.00 H new ATOM 0 HA THR A 23 6.199 1.329 -9.395 1.00 0.00 H new ATOM 0 HB THR A 23 7.923 3.292 -7.835 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.053 4.356 -9.585 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.811 2.366 -9.127 1.00 0.00 H new ATOM 0 HG22 THR A 23 9.056 1.133 -8.090 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.723 1.151 -9.838 1.00 0.00 H new ATOM 221 N LEU A 24 6.907 1.445 -6.152 1.00 0.00 N ATOM 222 CA LEU A 24 7.145 0.620 -4.972 1.00 0.00 C ATOM 223 C LEU A 24 6.032 -0.409 -4.795 1.00 0.00 C ATOM 224 O LEU A 24 6.261 -1.504 -4.280 1.00 0.00 O ATOM 225 CB LEU A 24 7.249 1.497 -3.724 1.00 0.00 C ATOM 226 CG LEU A 24 5.925 1.889 -3.067 1.00 0.00 C ATOM 227 CD1 LEU A 24 5.526 0.864 -2.017 1.00 0.00 C ATOM 228 CD2 LEU A 24 6.025 3.276 -2.450 1.00 0.00 C ATOM 0 H LEU A 24 6.938 2.449 -5.977 1.00 0.00 H new ATOM 0 HA LEU A 24 8.087 0.089 -5.113 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.857 0.973 -2.986 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.784 2.409 -3.989 1.00 0.00 H new ATOM 0 HG LEU A 24 5.153 1.911 -3.836 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.582 1.160 -1.560 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.412 -0.113 -2.487 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.298 0.809 -1.250 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.073 3.538 -1.987 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.810 3.282 -1.694 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.263 4.003 -3.226 1.00 0.00 H new ATOM 240 N LEU A 25 4.828 -0.050 -5.226 1.00 0.00 N ATOM 241 CA LEU A 25 3.679 -0.943 -5.117 1.00 0.00 C ATOM 242 C LEU A 25 3.689 -1.981 -6.234 1.00 0.00 C ATOM 243 O LEU A 25 3.275 -3.125 -6.037 1.00 0.00 O ATOM 244 CB LEU A 25 2.378 -0.139 -5.163 1.00 0.00 C ATOM 245 CG LEU A 25 1.986 0.578 -3.871 1.00 0.00 C ATOM 246 CD1 LEU A 25 1.095 1.773 -4.174 1.00 0.00 C ATOM 247 CD2 LEU A 25 1.289 -0.382 -2.918 1.00 0.00 C ATOM 0 H LEU A 25 4.622 0.853 -5.654 1.00 0.00 H new ATOM 0 HA LEU A 25 3.743 -1.464 -4.162 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.461 0.604 -5.956 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.568 -0.813 -5.441 1.00 0.00 H new ATOM 0 HG LEU A 25 2.894 0.940 -3.389 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.826 2.271 -3.243 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.629 2.471 -4.818 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.190 1.434 -4.679 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.017 0.146 -2.004 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.389 -0.775 -3.391 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.961 -1.206 -2.675 1.00 0.00 H new ATOM 259 N LYS A 26 4.165 -1.578 -7.406 1.00 0.00 N ATOM 260 CA LYS A 26 4.233 -2.474 -8.555 1.00 0.00 C ATOM 261 C LYS A 26 5.333 -3.513 -8.370 1.00 0.00 C ATOM 262 O LYS A 26 5.144 -4.690 -8.675 1.00 0.00 O ATOM 263 CB LYS A 26 4.481 -1.675 -9.837 1.00 0.00 C ATOM 264 CG LYS A 26 4.567 -2.538 -11.083 1.00 0.00 C ATOM 265 CD LYS A 26 3.189 -2.952 -11.571 1.00 0.00 C ATOM 266 CE LYS A 26 3.158 -3.116 -13.083 1.00 0.00 C ATOM 267 NZ LYS A 26 1.904 -2.572 -13.674 1.00 0.00 N ATOM 0 H LYS A 26 4.510 -0.635 -7.586 1.00 0.00 H new ATOM 0 HA LYS A 26 3.278 -2.993 -8.637 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.679 -0.948 -9.963 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.408 -1.111 -9.731 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.084 -1.990 -11.871 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.161 -3.427 -10.871 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.901 -3.890 -11.096 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.456 -2.204 -11.270 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.017 -2.607 -13.521 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.250 -4.172 -13.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.936 -2.672 -14.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.088 -3.097 -13.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.811 -1.566 -13.426 1.00 0.00 H new ATOM 281 N GLU A 27 6.481 -3.071 -7.866 1.00 0.00 N ATOM 282 CA GLU A 27 7.611 -3.965 -7.640 1.00 0.00 C ATOM 283 C GLU A 27 7.355 -4.872 -6.440 1.00 0.00 C ATOM 284 O GLU A 27 7.711 -6.050 -6.453 1.00 0.00 O ATOM 285 CB GLU A 27 8.892 -3.158 -7.420 1.00 0.00 C ATOM 286 CG GLU A 27 8.826 -2.226 -6.222 1.00 0.00 C ATOM 287 CD GLU A 27 9.910 -1.165 -6.246 1.00 0.00 C ATOM 288 OE1 GLU A 27 10.397 -0.842 -7.350 1.00 0.00 O ATOM 289 OE2 GLU A 27 10.271 -0.660 -5.163 1.00 0.00 O ATOM 0 H GLU A 27 6.653 -2.100 -7.607 1.00 0.00 H new ATOM 0 HA GLU A 27 7.731 -4.589 -8.526 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.727 -3.846 -7.289 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.100 -2.572 -8.315 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.850 -1.742 -6.197 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.916 -2.811 -5.306 1.00 0.00 H new ATOM 296 N TRP A 28 6.735 -4.314 -5.406 1.00 0.00 N ATOM 297 CA TRP A 28 6.432 -5.072 -4.198 1.00 0.00 C ATOM 298 C TRP A 28 5.503 -6.241 -4.508 1.00 0.00 C ATOM 299 O TRP A 28 5.391 -7.182 -3.720 1.00 0.00 O ATOM 300 CB TRP A 28 5.795 -4.162 -3.147 1.00 0.00 C ATOM 301 CG TRP A 28 5.392 -4.888 -1.899 1.00 0.00 C ATOM 302 CD1 TRP A 28 6.193 -5.653 -1.101 1.00 0.00 C ATOM 303 CD2 TRP A 28 4.089 -4.916 -1.307 1.00 0.00 C ATOM 304 NE1 TRP A 28 5.466 -6.157 -0.050 1.00 0.00 N ATOM 305 CE2 TRP A 28 4.173 -5.719 -0.152 1.00 0.00 C ATOM 306 CE3 TRP A 28 2.859 -4.340 -1.639 1.00 0.00 C ATOM 307 CZ2 TRP A 28 3.074 -5.958 0.669 1.00 0.00 C ATOM 308 CZ3 TRP A 28 1.769 -4.581 -0.824 1.00 0.00 C ATOM 309 CH2 TRP A 28 1.882 -5.383 0.319 1.00 0.00 C ATOM 0 H TRP A 28 6.433 -3.340 -5.380 1.00 0.00 H new ATOM 0 HA TRP A 28 7.367 -5.470 -3.804 1.00 0.00 H new ATOM 0 HB2 TRP A 28 6.498 -3.371 -2.888 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.917 -3.680 -3.578 1.00 0.00 H new ATOM 0 HD1 TRP A 28 7.244 -5.835 -1.271 1.00 0.00 H new ATOM 0 HE1 TRP A 28 5.831 -6.760 0.687 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.762 -3.718 -2.517 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 3.159 -6.575 1.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.813 -4.143 -1.073 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.012 -5.551 0.936 1.00 0.00 H new ATOM 320 N ILE A 29 4.838 -6.175 -5.656 1.00 0.00 N ATOM 321 CA ILE A 29 3.920 -7.229 -6.069 1.00 0.00 C ATOM 322 C ILE A 29 4.603 -8.215 -7.011 1.00 0.00 C ATOM 323 O ILE A 29 4.355 -9.419 -6.955 1.00 0.00 O ATOM 324 CB ILE A 29 2.674 -6.650 -6.763 1.00 0.00 C ATOM 325 CG1 ILE A 29 1.900 -5.748 -5.800 1.00 0.00 C ATOM 326 CG2 ILE A 29 1.784 -7.773 -7.277 1.00 0.00 C ATOM 327 CD1 ILE A 29 0.953 -4.793 -6.494 1.00 0.00 C ATOM 0 H ILE A 29 4.918 -5.402 -6.317 1.00 0.00 H new ATOM 0 HA ILE A 29 3.611 -7.751 -5.164 1.00 0.00 H new ATOM 0 HB ILE A 29 2.996 -6.050 -7.614 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.333 -6.371 -5.109 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.609 -5.174 -5.204 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.907 -7.348 -7.765 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.340 -8.379 -7.993 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.467 -8.397 -6.442 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.439 -4.185 -5.749 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.517 -4.145 -7.165 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.220 -5.360 -7.068 1.00 0.00 H new ATOM 339 N THR A 30 5.466 -7.695 -7.879 1.00 0.00 N ATOM 340 CA THR A 30 6.184 -8.528 -8.835 1.00 0.00 C ATOM 341 C THR A 30 7.380 -9.210 -8.178 1.00 0.00 C ATOM 342 O THR A 30 7.445 -10.438 -8.103 1.00 0.00 O ATOM 343 CB THR A 30 6.675 -7.705 -10.040 1.00 0.00 C ATOM 344 OG1 THR A 30 7.467 -6.599 -9.589 1.00 0.00 O ATOM 345 CG2 THR A 30 5.500 -7.192 -10.860 1.00 0.00 C ATOM 0 H THR A 30 5.684 -6.700 -7.939 1.00 0.00 H new ATOM 0 HA THR A 30 5.483 -9.286 -9.185 1.00 0.00 H new ATOM 0 HB THR A 30 7.283 -8.354 -10.671 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.776 -6.082 -10.362 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.872 -6.613 -11.706 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.916 -8.036 -11.226 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.870 -6.558 -10.236 1.00 0.00 H new ATOM 353 N THR A 31 8.327 -8.406 -7.704 1.00 0.00 N ATOM 354 CA THR A 31 9.521 -8.932 -7.054 1.00 0.00 C ATOM 355 C THR A 31 9.157 -9.918 -5.951 1.00 0.00 C ATOM 356 O THR A 31 9.720 -11.011 -5.871 1.00 0.00 O ATOM 357 CB THR A 31 10.379 -7.801 -6.455 1.00 0.00 C ATOM 358 OG1 THR A 31 9.721 -7.240 -5.313 1.00 0.00 O ATOM 359 CG2 THR A 31 10.635 -6.712 -7.486 1.00 0.00 C ATOM 0 H THR A 31 8.290 -7.388 -7.758 1.00 0.00 H new ATOM 0 HA THR A 31 10.098 -9.447 -7.822 1.00 0.00 H new ATOM 0 HB THR A 31 11.337 -8.223 -6.151 1.00 0.00 H new ATOM 0 HG1 THR A 31 8.827 -6.931 -5.570 1.00 0.00 H new ATOM 0 HG21 THR A 31 11.243 -5.924 -7.040 1.00 0.00 H new ATOM 0 HG22 THR A 31 11.162 -7.137 -8.341 1.00 0.00 H new ATOM 0 HG23 THR A 31 9.684 -6.294 -7.817 1.00 0.00 H new ATOM 367 N ILE A 32 8.214 -9.526 -5.101 1.00 0.00 N ATOM 368 CA ILE A 32 7.775 -10.378 -4.002 1.00 0.00 C ATOM 369 C ILE A 32 6.550 -11.196 -4.397 1.00 0.00 C ATOM 370 O ILE A 32 5.753 -10.775 -5.236 1.00 0.00 O ATOM 371 CB ILE A 32 7.443 -9.550 -2.747 1.00 0.00 C ATOM 372 CG1 ILE A 32 8.558 -8.543 -2.463 1.00 0.00 C ATOM 373 CG2 ILE A 32 7.231 -10.465 -1.550 1.00 0.00 C ATOM 374 CD1 ILE A 32 9.910 -9.186 -2.238 1.00 0.00 C ATOM 0 H ILE A 32 7.739 -8.625 -5.152 1.00 0.00 H new ATOM 0 HA ILE A 32 8.601 -11.052 -3.775 1.00 0.00 H new ATOM 0 HB ILE A 32 6.520 -8.999 -2.927 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.630 -7.847 -3.299 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.292 -7.957 -1.583 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.997 -9.865 -0.670 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.405 -11.146 -1.755 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.139 -11.040 -1.366 1.00 0.00 H new ATOM 0 HD11 ILE A 32 10.653 -8.413 -2.042 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.854 -9.860 -1.383 1.00 0.00 H new ATOM 0 HD13 ILE A 32 10.198 -9.749 -3.126 1.00 0.00 H new ATOM 386 N SER A 33 6.404 -12.366 -3.785 1.00 0.00 N ATOM 387 CA SER A 33 5.277 -13.246 -4.073 1.00 0.00 C ATOM 388 C SER A 33 4.580 -13.676 -2.786 1.00 0.00 C ATOM 389 O SER A 33 3.353 -13.758 -2.729 1.00 0.00 O ATOM 390 CB SER A 33 5.749 -14.478 -4.847 1.00 0.00 C ATOM 391 OG SER A 33 4.702 -15.016 -5.636 1.00 0.00 O ATOM 0 H SER A 33 7.053 -12.727 -3.086 1.00 0.00 H new ATOM 0 HA SER A 33 4.564 -12.693 -4.684 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.590 -14.209 -5.487 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.108 -15.234 -4.149 1.00 0.00 H new ATOM 0 HG SER A 33 5.029 -15.801 -6.122 1.00 0.00 H new ATOM 397 N ASP A 34 5.372 -13.948 -1.755 1.00 0.00 N ATOM 398 CA ASP A 34 4.833 -14.369 -0.466 1.00 0.00 C ATOM 399 C ASP A 34 5.401 -13.518 0.665 1.00 0.00 C ATOM 400 O ASP A 34 6.241 -13.963 1.446 1.00 0.00 O ATOM 401 CB ASP A 34 5.144 -15.845 -0.217 1.00 0.00 C ATOM 402 CG ASP A 34 6.541 -16.227 -0.668 1.00 0.00 C ATOM 403 OD1 ASP A 34 6.700 -16.609 -1.845 1.00 0.00 O ATOM 404 OD2 ASP A 34 7.474 -16.144 0.158 1.00 0.00 O ATOM 0 H ASP A 34 6.390 -13.885 -1.786 1.00 0.00 H new ATOM 0 HA ASP A 34 3.752 -14.233 -0.490 1.00 0.00 H new ATOM 0 HB2 ASP A 34 5.037 -16.062 0.846 1.00 0.00 H new ATOM 0 HB3 ASP A 34 4.414 -16.461 -0.743 1.00 0.00 H new ATOM 409 N PRO A 35 4.935 -12.263 0.753 1.00 0.00 N ATOM 410 CA PRO A 35 5.383 -11.324 1.786 1.00 0.00 C ATOM 411 C PRO A 35 4.891 -11.711 3.176 1.00 0.00 C ATOM 412 O PRO A 35 3.987 -12.533 3.317 1.00 0.00 O ATOM 413 CB PRO A 35 4.763 -9.994 1.348 1.00 0.00 C ATOM 414 CG PRO A 35 3.570 -10.380 0.544 1.00 0.00 C ATOM 415 CD PRO A 35 3.933 -11.666 -0.145 1.00 0.00 C ATOM 0 HA PRO A 35 6.470 -11.297 1.869 1.00 0.00 H new ATOM 0 HB2 PRO A 35 4.481 -9.386 2.208 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.465 -9.405 0.758 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.696 -10.512 1.182 1.00 0.00 H new ATOM 0 HG3 PRO A 35 3.321 -9.605 -0.181 1.00 0.00 H new ATOM 0 HD2 PRO A 35 3.066 -12.315 -0.267 1.00 0.00 H new ATOM 0 HD3 PRO A 35 4.341 -11.488 -1.140 1.00 0.00 H new ATOM 423 N MET A 36 5.491 -11.111 4.199 1.00 0.00 N ATOM 424 CA MET A 36 5.111 -11.393 5.578 1.00 0.00 C ATOM 425 C MET A 36 3.959 -10.495 6.019 1.00 0.00 C ATOM 426 O MET A 36 3.649 -9.502 5.363 1.00 0.00 O ATOM 427 CB MET A 36 6.309 -11.199 6.509 1.00 0.00 C ATOM 428 CG MET A 36 6.362 -12.204 7.650 1.00 0.00 C ATOM 429 SD MET A 36 6.688 -13.884 7.080 1.00 0.00 S ATOM 430 CE MET A 36 6.180 -14.831 8.512 1.00 0.00 C ATOM 0 H MET A 36 6.241 -10.427 4.099 1.00 0.00 H new ATOM 0 HA MET A 36 4.781 -12.430 5.633 1.00 0.00 H new ATOM 0 HB2 MET A 36 7.227 -11.274 5.927 1.00 0.00 H new ATOM 0 HB3 MET A 36 6.277 -10.192 6.924 1.00 0.00 H new ATOM 0 HG2 MET A 36 7.138 -11.907 8.355 1.00 0.00 H new ATOM 0 HG3 MET A 36 5.416 -12.185 8.190 1.00 0.00 H new ATOM 0 HE1 MET A 36 6.322 -15.894 8.315 1.00 0.00 H new ATOM 0 HE2 MET A 36 6.781 -14.539 9.373 1.00 0.00 H new ATOM 0 HE3 MET A 36 5.128 -14.638 8.721 1.00 0.00 H new ATOM 440 N GLU A 37 3.329 -10.853 7.134 1.00 0.00 N ATOM 441 CA GLU A 37 2.211 -10.077 7.660 1.00 0.00 C ATOM 442 C GLU A 37 2.610 -8.621 7.873 1.00 0.00 C ATOM 443 O GLU A 37 1.787 -7.716 7.740 1.00 0.00 O ATOM 444 CB GLU A 37 1.720 -10.680 8.978 1.00 0.00 C ATOM 445 CG GLU A 37 2.829 -10.930 9.984 1.00 0.00 C ATOM 446 CD GLU A 37 2.313 -11.491 11.295 1.00 0.00 C ATOM 447 OE1 GLU A 37 1.281 -12.194 11.274 1.00 0.00 O ATOM 448 OE2 GLU A 37 2.940 -11.227 12.342 1.00 0.00 O ATOM 0 H GLU A 37 3.573 -11.673 7.689 1.00 0.00 H new ATOM 0 HA GLU A 37 1.403 -10.110 6.929 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.983 -10.011 9.422 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.211 -11.621 8.770 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.553 -11.624 9.556 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.358 -9.996 10.176 1.00 0.00 H new ATOM 455 N GLU A 38 3.880 -8.403 8.204 1.00 0.00 N ATOM 456 CA GLU A 38 4.387 -7.056 8.436 1.00 0.00 C ATOM 457 C GLU A 38 4.338 -6.227 7.156 1.00 0.00 C ATOM 458 O GLU A 38 4.122 -5.016 7.196 1.00 0.00 O ATOM 459 CB GLU A 38 5.822 -7.113 8.965 1.00 0.00 C ATOM 460 CG GLU A 38 6.841 -7.531 7.918 1.00 0.00 C ATOM 461 CD GLU A 38 8.003 -8.305 8.509 1.00 0.00 C ATOM 462 OE1 GLU A 38 7.781 -9.443 8.974 1.00 0.00 O ATOM 463 OE2 GLU A 38 9.132 -7.773 8.509 1.00 0.00 O ATOM 0 H GLU A 38 4.575 -9.141 8.317 1.00 0.00 H new ATOM 0 HA GLU A 38 3.750 -6.579 9.181 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.096 -6.133 9.355 1.00 0.00 H new ATOM 0 HB3 GLU A 38 5.865 -7.812 9.801 1.00 0.00 H new ATOM 0 HG2 GLU A 38 6.349 -8.143 7.162 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.221 -6.644 7.412 1.00 0.00 H new ATOM 470 N ASP A 39 4.539 -6.890 6.022 1.00 0.00 N ATOM 471 CA ASP A 39 4.516 -6.215 4.729 1.00 0.00 C ATOM 472 C ASP A 39 3.139 -5.620 4.450 1.00 0.00 C ATOM 473 O ASP A 39 3.025 -4.533 3.882 1.00 0.00 O ATOM 474 CB ASP A 39 4.900 -7.190 3.614 1.00 0.00 C ATOM 475 CG ASP A 39 6.317 -7.708 3.761 1.00 0.00 C ATOM 476 OD1 ASP A 39 7.032 -7.234 4.670 1.00 0.00 O ATOM 477 OD2 ASP A 39 6.712 -8.588 2.968 1.00 0.00 O ATOM 0 H ASP A 39 4.719 -7.893 5.972 1.00 0.00 H new ATOM 0 HA ASP A 39 5.243 -5.403 4.758 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.207 -8.031 3.616 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.796 -6.693 2.649 1.00 0.00 H new ATOM 482 N ILE A 40 2.098 -6.341 4.851 1.00 0.00 N ATOM 483 CA ILE A 40 0.729 -5.884 4.644 1.00 0.00 C ATOM 484 C ILE A 40 0.379 -4.745 5.596 1.00 0.00 C ATOM 485 O ILE A 40 -0.418 -3.866 5.264 1.00 0.00 O ATOM 486 CB ILE A 40 -0.283 -7.029 4.838 1.00 0.00 C ATOM 487 CG1 ILE A 40 0.001 -8.161 3.849 1.00 0.00 C ATOM 488 CG2 ILE A 40 -1.704 -6.515 4.670 1.00 0.00 C ATOM 489 CD1 ILE A 40 0.932 -9.221 4.395 1.00 0.00 C ATOM 0 H ILE A 40 2.176 -7.243 5.321 1.00 0.00 H new ATOM 0 HA ILE A 40 0.669 -5.527 3.616 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.178 -7.420 5.850 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.941 -8.629 3.564 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.435 -7.740 2.942 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.407 -7.336 4.810 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -1.900 -5.739 5.410 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.825 -6.101 3.669 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.088 -9.992 3.640 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.889 -8.767 4.654 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.491 -9.669 5.285 1.00 0.00 H new ATOM 501 N LEU A 41 0.981 -4.765 6.779 1.00 0.00 N ATOM 502 CA LEU A 41 0.736 -3.733 7.781 1.00 0.00 C ATOM 503 C LEU A 41 1.472 -2.444 7.427 1.00 0.00 C ATOM 504 O LEU A 41 1.027 -1.351 7.772 1.00 0.00 O ATOM 505 CB LEU A 41 1.174 -4.220 9.163 1.00 0.00 C ATOM 506 CG LEU A 41 0.389 -5.399 9.739 1.00 0.00 C ATOM 507 CD1 LEU A 41 1.148 -6.031 10.896 1.00 0.00 C ATOM 508 CD2 LEU A 41 -0.994 -4.951 10.187 1.00 0.00 C ATOM 0 H LEU A 41 1.643 -5.485 7.069 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.334 -3.526 7.798 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.226 -4.501 9.111 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.101 -3.385 9.860 1.00 0.00 H new ATOM 0 HG LEU A 41 0.270 -6.149 8.957 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.574 -6.868 11.293 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.116 -6.389 10.544 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.299 -5.290 11.681 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.538 -5.803 10.594 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.897 -4.182 10.954 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.539 -4.546 9.334 1.00 0.00 H new ATOM 520 N GLN A 42 2.597 -2.583 6.733 1.00 0.00 N ATOM 521 CA GLN A 42 3.392 -1.429 6.331 1.00 0.00 C ATOM 522 C GLN A 42 2.654 -0.594 5.291 1.00 0.00 C ATOM 523 O GLN A 42 2.560 0.628 5.414 1.00 0.00 O ATOM 524 CB GLN A 42 4.741 -1.884 5.771 1.00 0.00 C ATOM 525 CG GLN A 42 5.769 -2.207 6.844 1.00 0.00 C ATOM 526 CD GLN A 42 6.142 -0.995 7.677 1.00 0.00 C ATOM 527 OE1 GLN A 42 6.701 -0.025 7.166 1.00 0.00 O ATOM 528 NE2 GLN A 42 5.834 -1.047 8.968 1.00 0.00 N ATOM 0 H GLN A 42 2.978 -3.482 6.438 1.00 0.00 H new ATOM 0 HA GLN A 42 3.561 -0.811 7.213 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.588 -2.766 5.149 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.138 -1.103 5.123 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.375 -2.985 7.497 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.666 -2.610 6.373 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.370 -1.872 9.349 1.00 0.00 H new ATOM 0 HE22 GLN A 42 6.061 -0.262 9.578 1.00 0.00 H new ATOM 537 N VAL A 43 2.128 -1.261 4.268 1.00 0.00 N ATOM 538 CA VAL A 43 1.396 -0.579 3.207 1.00 0.00 C ATOM 539 C VAL A 43 0.155 0.117 3.755 1.00 0.00 C ATOM 540 O VAL A 43 -0.243 1.174 3.267 1.00 0.00 O ATOM 541 CB VAL A 43 0.973 -1.561 2.098 1.00 0.00 C ATOM 542 CG1 VAL A 43 2.191 -2.079 1.350 1.00 0.00 C ATOM 543 CG2 VAL A 43 0.167 -2.710 2.683 1.00 0.00 C ATOM 0 H VAL A 43 2.195 -2.272 4.152 1.00 0.00 H new ATOM 0 HA VAL A 43 2.070 0.166 2.785 1.00 0.00 H new ATOM 0 HB VAL A 43 0.340 -1.029 1.388 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.872 -2.771 0.571 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.723 -1.242 0.897 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.853 -2.595 2.045 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.123 -3.394 1.885 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.773 -3.243 3.416 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.727 -2.318 3.168 1.00 0.00 H new ATOM 553 N VAL A 44 -0.453 -0.484 4.773 1.00 0.00 N ATOM 554 CA VAL A 44 -1.648 0.078 5.390 1.00 0.00 C ATOM 555 C VAL A 44 -1.312 1.322 6.204 1.00 0.00 C ATOM 556 O VAL A 44 -2.116 2.250 6.298 1.00 0.00 O ATOM 557 CB VAL A 44 -2.345 -0.948 6.303 1.00 0.00 C ATOM 558 CG1 VAL A 44 -3.548 -0.321 6.990 1.00 0.00 C ATOM 559 CG2 VAL A 44 -2.755 -2.177 5.507 1.00 0.00 C ATOM 0 H VAL A 44 -0.137 -1.361 5.188 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.325 0.349 4.580 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.640 -1.261 7.073 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.028 -1.061 7.631 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.222 0.525 7.594 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.258 0.023 6.238 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.246 -2.891 6.168 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.443 -1.884 4.714 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.870 -2.638 5.068 1.00 0.00 H new ATOM 569 N ARG A 45 -0.120 1.336 6.791 1.00 0.00 N ATOM 570 CA ARG A 45 0.322 2.466 7.598 1.00 0.00 C ATOM 571 C ARG A 45 0.538 3.701 6.731 1.00 0.00 C ATOM 572 O ARG A 45 0.145 4.809 7.100 1.00 0.00 O ATOM 573 CB ARG A 45 1.614 2.116 8.339 1.00 0.00 C ATOM 574 CG ARG A 45 1.384 1.396 9.658 1.00 0.00 C ATOM 575 CD ARG A 45 0.652 2.280 10.656 1.00 0.00 C ATOM 576 NE ARG A 45 0.858 1.839 12.031 1.00 0.00 N ATOM 577 CZ ARG A 45 0.525 2.563 13.094 1.00 0.00 C ATOM 578 NH1 ARG A 45 -0.028 3.758 12.938 1.00 0.00 N ATOM 579 NH2 ARG A 45 0.743 2.093 14.315 1.00 0.00 N ATOM 0 H ARG A 45 0.557 0.577 6.723 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.458 2.688 8.327 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.233 1.490 7.696 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.174 3.032 8.528 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.806 0.488 9.482 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.342 1.088 10.077 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.996 3.309 10.550 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.414 2.276 10.430 1.00 0.00 H new ATOM 0 HE ARG A 45 1.281 0.924 12.185 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.198 4.123 12.001 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.283 4.313 13.755 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.167 1.174 14.439 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.486 2.651 15.130 1.00 0.00 H new ATOM 593 N TYR A 46 1.166 3.505 5.577 1.00 0.00 N ATOM 594 CA TYR A 46 1.438 4.605 4.657 1.00 0.00 C ATOM 595 C TYR A 46 0.144 5.291 4.230 1.00 0.00 C ATOM 596 O TYR A 46 0.076 6.517 4.145 1.00 0.00 O ATOM 597 CB TYR A 46 2.188 4.094 3.427 1.00 0.00 C ATOM 598 CG TYR A 46 2.288 5.112 2.313 1.00 0.00 C ATOM 599 CD1 TYR A 46 3.106 6.228 2.437 1.00 0.00 C ATOM 600 CD2 TYR A 46 1.564 4.959 1.138 1.00 0.00 C ATOM 601 CE1 TYR A 46 3.201 7.161 1.423 1.00 0.00 C ATOM 602 CE2 TYR A 46 1.653 5.886 0.118 1.00 0.00 C ATOM 603 CZ TYR A 46 2.472 6.986 0.265 1.00 0.00 C ATOM 604 OH TYR A 46 2.563 7.912 -0.748 1.00 0.00 O ATOM 0 H TYR A 46 1.497 2.595 5.256 1.00 0.00 H new ATOM 0 HA TYR A 46 2.060 5.334 5.176 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.193 3.792 3.724 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.686 3.203 3.050 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.678 6.369 3.342 1.00 0.00 H new ATOM 0 HD2 TYR A 46 0.920 4.100 1.020 1.00 0.00 H new ATOM 0 HE1 TYR A 46 3.842 8.023 1.536 1.00 0.00 H new ATOM 0 HE2 TYR A 46 1.084 5.750 -0.790 1.00 0.00 H new ATOM 0 HH TYR A 46 3.453 8.322 -0.737 1.00 0.00 H new ATOM 614 N CYS A 47 -0.882 4.489 3.964 1.00 0.00 N ATOM 615 CA CYS A 47 -2.176 5.017 3.545 1.00 0.00 C ATOM 616 C CYS A 47 -2.906 5.661 4.719 1.00 0.00 C ATOM 617 O CYS A 47 -3.372 6.798 4.628 1.00 0.00 O ATOM 618 CB CYS A 47 -3.034 3.903 2.944 1.00 0.00 C ATOM 619 SG CYS A 47 -2.305 3.112 1.490 1.00 0.00 S ATOM 0 H CYS A 47 -0.843 3.472 4.031 1.00 0.00 H new ATOM 0 HA CYS A 47 -2.001 5.780 2.787 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -3.211 3.144 3.706 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -4.006 4.315 2.671 1.00 0.00 H new ATOM 0 HG CYS A 47 -1.392 2.267 1.868 1.00 0.00 H new ATOM 625 N THR A 48 -3.005 4.927 5.823 1.00 0.00 N ATOM 626 CA THR A 48 -3.681 5.425 7.015 1.00 0.00 C ATOM 627 C THR A 48 -3.019 6.696 7.532 1.00 0.00 C ATOM 628 O THR A 48 -3.646 7.497 8.225 1.00 0.00 O ATOM 629 CB THR A 48 -3.688 4.371 8.138 1.00 0.00 C ATOM 630 OG1 THR A 48 -4.316 3.169 7.678 1.00 0.00 O ATOM 631 CG2 THR A 48 -4.419 4.893 9.365 1.00 0.00 C ATOM 0 H THR A 48 -2.625 3.985 5.916 1.00 0.00 H new ATOM 0 HA THR A 48 -4.709 5.645 6.726 1.00 0.00 H new ATOM 0 HB THR A 48 -2.655 4.158 8.413 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.677 2.649 7.147 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.411 4.131 10.145 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.921 5.791 9.730 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.449 5.131 9.101 1.00 0.00 H new ATOM 639 N ASP A 49 -1.748 6.878 7.190 1.00 0.00 N ATOM 640 CA ASP A 49 -1.000 8.055 7.618 1.00 0.00 C ATOM 641 C ASP A 49 -1.367 9.269 6.769 1.00 0.00 C ATOM 642 O ASP A 49 -1.237 10.411 7.213 1.00 0.00 O ATOM 643 CB ASP A 49 0.503 7.790 7.530 1.00 0.00 C ATOM 644 CG ASP A 49 1.321 9.062 7.635 1.00 0.00 C ATOM 645 OD1 ASP A 49 1.496 9.563 8.765 1.00 0.00 O ATOM 646 OD2 ASP A 49 1.788 9.556 6.587 1.00 0.00 O ATOM 0 H ASP A 49 -1.214 6.225 6.617 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.263 8.266 8.655 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.796 7.106 8.327 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.727 7.294 6.586 1.00 0.00 H new ATOM 651 N LEU A 50 -1.823 9.015 5.547 1.00 0.00 N ATOM 652 CA LEU A 50 -2.206 10.088 4.636 1.00 0.00 C ATOM 653 C LEU A 50 -3.474 10.784 5.119 1.00 0.00 C ATOM 654 O LEU A 50 -3.552 12.013 5.130 1.00 0.00 O ATOM 655 CB LEU A 50 -2.420 9.533 3.226 1.00 0.00 C ATOM 656 CG LEU A 50 -1.157 9.128 2.465 1.00 0.00 C ATOM 657 CD1 LEU A 50 -1.491 8.128 1.369 1.00 0.00 C ATOM 658 CD2 LEU A 50 -0.472 10.355 1.880 1.00 0.00 C ATOM 0 H LEU A 50 -1.936 8.076 5.165 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.398 10.819 4.613 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.073 8.663 3.295 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.949 10.283 2.638 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.471 8.652 3.165 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.580 7.852 0.839 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.937 7.238 1.812 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.196 8.577 0.669 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.425 10.049 1.342 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.153 10.859 1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.197 11.037 2.685 1.00 0.00 H new ATOM 670 N ILE A 51 -4.463 9.993 5.519 1.00 0.00 N ATOM 671 CA ILE A 51 -5.725 10.534 6.005 1.00 0.00 C ATOM 672 C ILE A 51 -5.509 11.415 7.231 1.00 0.00 C ATOM 673 O ILE A 51 -6.307 12.307 7.514 1.00 0.00 O ATOM 674 CB ILE A 51 -6.719 9.413 6.360 1.00 0.00 C ATOM 675 CG1 ILE A 51 -6.993 8.538 5.136 1.00 0.00 C ATOM 676 CG2 ILE A 51 -8.016 10.004 6.896 1.00 0.00 C ATOM 677 CD1 ILE A 51 -7.078 7.061 5.455 1.00 0.00 C ATOM 0 H ILE A 51 -4.414 8.974 5.516 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.143 11.135 5.197 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.278 8.790 7.138 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.928 8.856 4.674 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.204 8.698 4.401 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.708 9.199 7.142 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.806 10.589 7.791 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.463 10.648 6.138 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.274 6.502 4.540 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.135 6.728 5.889 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.886 6.888 6.166 1.00 0.00 H new ATOM 689 N GLU A 52 -4.425 11.156 7.955 1.00 0.00 N ATOM 690 CA GLU A 52 -4.103 11.926 9.151 1.00 0.00 C ATOM 691 C GLU A 52 -3.608 13.322 8.782 1.00 0.00 C ATOM 692 O GLU A 52 -3.725 14.260 9.571 1.00 0.00 O ATOM 693 CB GLU A 52 -3.043 11.201 9.982 1.00 0.00 C ATOM 694 CG GLU A 52 -3.517 9.872 10.548 1.00 0.00 C ATOM 695 CD GLU A 52 -4.700 10.026 11.484 1.00 0.00 C ATOM 696 OE1 GLU A 52 -5.841 10.119 10.988 1.00 0.00 O ATOM 697 OE2 GLU A 52 -4.483 10.051 12.714 1.00 0.00 O ATOM 0 H GLU A 52 -3.755 10.419 7.735 1.00 0.00 H new ATOM 0 HA GLU A 52 -5.013 12.026 9.743 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.163 11.029 9.363 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.733 11.847 10.804 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.791 9.209 9.728 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -2.695 9.395 11.082 1.00 0.00 H new ATOM 704 N GLU A 53 -3.057 13.450 7.580 1.00 0.00 N ATOM 705 CA GLU A 53 -2.544 14.731 7.108 1.00 0.00 C ATOM 706 C GLU A 53 -3.407 15.280 5.977 1.00 0.00 C ATOM 707 O GLU A 53 -3.016 16.214 5.278 1.00 0.00 O ATOM 708 CB GLU A 53 -1.097 14.582 6.632 1.00 0.00 C ATOM 709 CG GLU A 53 -0.881 13.403 5.699 1.00 0.00 C ATOM 710 CD GLU A 53 0.519 13.368 5.117 1.00 0.00 C ATOM 711 OE1 GLU A 53 1.298 14.304 5.389 1.00 0.00 O ATOM 712 OE2 GLU A 53 0.834 12.404 4.388 1.00 0.00 O ATOM 0 H GLU A 53 -2.954 12.683 6.915 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.576 15.434 7.940 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.795 15.497 6.123 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.448 14.471 7.500 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.068 12.476 6.241 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.607 13.449 4.887 1.00 0.00 H new ATOM 719 N LYS A 54 -4.587 14.692 5.803 1.00 0.00 N ATOM 720 CA LYS A 54 -5.509 15.120 4.757 1.00 0.00 C ATOM 721 C LYS A 54 -4.913 14.879 3.374 1.00 0.00 C ATOM 722 O LYS A 54 -5.399 15.415 2.378 1.00 0.00 O ATOM 723 CB LYS A 54 -5.849 16.604 4.926 1.00 0.00 C ATOM 724 CG LYS A 54 -6.152 16.999 6.361 1.00 0.00 C ATOM 725 CD LYS A 54 -7.363 17.913 6.444 1.00 0.00 C ATOM 726 CE LYS A 54 -6.976 19.370 6.244 1.00 0.00 C ATOM 727 NZ LYS A 54 -7.704 20.271 7.180 1.00 0.00 N ATOM 0 H LYS A 54 -4.927 13.918 6.373 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.421 14.531 4.847 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.014 17.203 4.562 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.710 16.844 4.302 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.330 16.103 6.956 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.286 17.501 6.792 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.092 17.622 5.688 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.845 17.793 7.414 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.902 19.484 6.392 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.189 19.665 5.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.412 21.255 7.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.728 20.181 7.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.481 20.007 8.161 1.00 0.00 H new ATOM 741 N ASP A 55 -3.863 14.069 3.320 1.00 0.00 N ATOM 742 CA ASP A 55 -3.204 13.754 2.059 1.00 0.00 C ATOM 743 C ASP A 55 -3.710 12.429 1.497 1.00 0.00 C ATOM 744 O ASP A 55 -2.971 11.700 0.833 1.00 0.00 O ATOM 745 CB ASP A 55 -1.688 13.694 2.252 1.00 0.00 C ATOM 746 CG ASP A 55 -1.114 15.006 2.750 1.00 0.00 C ATOM 747 OD1 ASP A 55 -1.898 15.958 2.945 1.00 0.00 O ATOM 748 OD2 ASP A 55 0.117 15.081 2.944 1.00 0.00 O ATOM 0 H ASP A 55 -3.449 13.618 4.136 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.441 14.544 1.347 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.446 12.903 2.962 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -1.215 13.430 1.306 1.00 0.00 H new ATOM 753 N LEU A 56 -4.974 12.122 1.766 1.00 0.00 N ATOM 754 CA LEU A 56 -5.580 10.885 1.288 1.00 0.00 C ATOM 755 C LEU A 56 -5.945 10.992 -0.189 1.00 0.00 C ATOM 756 O LEU A 56 -6.397 10.023 -0.798 1.00 0.00 O ATOM 757 CB LEU A 56 -6.826 10.554 2.111 1.00 0.00 C ATOM 758 CG LEU A 56 -7.708 11.740 2.501 1.00 0.00 C ATOM 759 CD1 LEU A 56 -8.057 12.571 1.275 1.00 0.00 C ATOM 760 CD2 LEU A 56 -8.972 11.259 3.199 1.00 0.00 C ATOM 0 H LEU A 56 -5.599 12.713 2.313 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.851 10.083 1.405 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.433 9.846 1.546 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.510 10.047 3.023 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.151 12.369 3.195 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.685 13.411 1.572 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.142 12.946 0.817 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.594 11.952 0.557 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.587 12.117 3.469 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.532 10.607 2.529 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.703 10.708 4.100 1.00 0.00 H new ATOM 772 N GLU A 57 -5.743 12.176 -0.759 1.00 0.00 N ATOM 773 CA GLU A 57 -6.050 12.408 -2.165 1.00 0.00 C ATOM 774 C GLU A 57 -5.325 11.401 -3.054 1.00 0.00 C ATOM 775 O GLU A 57 -5.923 10.797 -3.944 1.00 0.00 O ATOM 776 CB GLU A 57 -5.659 13.832 -2.567 1.00 0.00 C ATOM 777 CG GLU A 57 -6.636 14.890 -2.081 1.00 0.00 C ATOM 778 CD GLU A 57 -6.502 16.198 -2.837 1.00 0.00 C ATOM 779 OE1 GLU A 57 -6.509 16.164 -4.086 1.00 0.00 O ATOM 780 OE2 GLU A 57 -6.391 17.254 -2.181 1.00 0.00 O ATOM 0 H GLU A 57 -5.368 12.988 -0.269 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.124 12.281 -2.301 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.668 14.054 -2.170 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.587 13.887 -3.653 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.654 14.516 -2.188 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.472 15.070 -1.019 1.00 0.00 H new ATOM 787 N LYS A 58 -4.031 11.225 -2.806 1.00 0.00 N ATOM 788 CA LYS A 58 -3.223 10.292 -3.580 1.00 0.00 C ATOM 789 C LYS A 58 -3.592 8.849 -3.252 1.00 0.00 C ATOM 790 O LYS A 58 -3.552 7.974 -4.118 1.00 0.00 O ATOM 791 CB LYS A 58 -1.735 10.523 -3.306 1.00 0.00 C ATOM 792 CG LYS A 58 -1.306 10.127 -1.905 1.00 0.00 C ATOM 793 CD LYS A 58 0.192 10.293 -1.712 1.00 0.00 C ATOM 794 CE LYS A 58 0.540 11.688 -1.217 1.00 0.00 C ATOM 795 NZ LYS A 58 2.004 11.952 -1.285 1.00 0.00 N ATOM 0 H LYS A 58 -3.520 11.718 -2.074 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.424 10.469 -4.637 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.149 9.957 -4.030 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.505 11.577 -3.463 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.838 10.737 -1.175 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.585 9.090 -1.718 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.552 9.552 -0.998 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.705 10.102 -2.655 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.009 12.428 -1.816 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.197 11.804 -0.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.200 12.913 -0.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.509 11.261 -0.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.327 11.866 -2.270 1.00 0.00 H new ATOM 809 N LEU A 59 -3.953 8.607 -1.996 1.00 0.00 N ATOM 810 CA LEU A 59 -4.331 7.270 -1.553 1.00 0.00 C ATOM 811 C LEU A 59 -5.472 6.717 -2.401 1.00 0.00 C ATOM 812 O LEU A 59 -5.411 5.584 -2.880 1.00 0.00 O ATOM 813 CB LEU A 59 -4.743 7.297 -0.080 1.00 0.00 C ATOM 814 CG LEU A 59 -5.575 6.110 0.406 1.00 0.00 C ATOM 815 CD1 LEU A 59 -4.895 4.798 0.048 1.00 0.00 C ATOM 816 CD2 LEU A 59 -5.807 6.200 1.907 1.00 0.00 C ATOM 0 H LEU A 59 -3.992 9.319 -1.267 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.466 6.617 -1.671 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.840 7.355 0.528 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.309 8.211 0.102 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.543 6.142 -0.094 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.502 3.965 0.402 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.782 4.730 -1.034 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.913 4.757 0.519 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.401 5.347 2.235 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.848 6.195 2.424 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.339 7.123 2.138 1.00 0.00 H new ATOM 828 N ASP A 60 -6.511 7.525 -2.586 1.00 0.00 N ATOM 829 CA ASP A 60 -7.664 7.119 -3.379 1.00 0.00 C ATOM 830 C ASP A 60 -7.227 6.586 -4.740 1.00 0.00 C ATOM 831 O ASP A 60 -7.830 5.655 -5.277 1.00 0.00 O ATOM 832 CB ASP A 60 -8.623 8.296 -3.564 1.00 0.00 C ATOM 833 CG ASP A 60 -9.600 8.074 -4.701 1.00 0.00 C ATOM 834 OD1 ASP A 60 -10.568 7.309 -4.512 1.00 0.00 O ATOM 835 OD2 ASP A 60 -9.396 8.666 -5.782 1.00 0.00 O ATOM 0 H ASP A 60 -6.577 8.465 -2.197 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.179 6.321 -2.844 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.177 8.458 -2.639 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.048 9.202 -3.754 1.00 0.00 H new ATOM 840 N LEU A 61 -6.176 7.181 -5.293 1.00 0.00 N ATOM 841 CA LEU A 61 -5.658 6.767 -6.593 1.00 0.00 C ATOM 842 C LEU A 61 -4.851 5.478 -6.472 1.00 0.00 C ATOM 843 O LEU A 61 -4.827 4.659 -7.390 1.00 0.00 O ATOM 844 CB LEU A 61 -4.788 7.873 -7.193 1.00 0.00 C ATOM 845 CG LEU A 61 -5.345 9.293 -7.095 1.00 0.00 C ATOM 846 CD1 LEU A 61 -4.284 10.311 -7.481 1.00 0.00 C ATOM 847 CD2 LEU A 61 -6.577 9.445 -7.975 1.00 0.00 C ATOM 0 H LEU A 61 -5.666 7.952 -4.862 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.506 6.582 -7.253 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.816 7.851 -6.700 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.617 7.643 -8.245 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.636 9.477 -6.061 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.699 11.316 -7.405 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.430 10.219 -6.809 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.960 10.129 -8.506 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.960 10.462 -7.892 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.311 9.240 -9.012 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.344 8.741 -7.652 1.00 0.00 H new ATOM 859 N VAL A 62 -4.192 5.304 -5.330 1.00 0.00 N ATOM 860 CA VAL A 62 -3.386 4.114 -5.087 1.00 0.00 C ATOM 861 C VAL A 62 -4.258 2.865 -5.019 1.00 0.00 C ATOM 862 O VAL A 62 -3.876 1.801 -5.508 1.00 0.00 O ATOM 863 CB VAL A 62 -2.583 4.238 -3.779 1.00 0.00 C ATOM 864 CG1 VAL A 62 -1.797 2.963 -3.512 1.00 0.00 C ATOM 865 CG2 VAL A 62 -1.656 5.443 -3.835 1.00 0.00 C ATOM 0 H VAL A 62 -4.201 5.972 -4.559 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.692 4.025 -5.923 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.283 4.384 -2.956 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.236 3.069 -2.584 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.486 2.122 -3.426 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.106 2.783 -4.335 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.096 5.515 -2.902 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.961 5.329 -4.667 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.245 6.349 -3.976 1.00 0.00 H new ATOM 875 N ILE A 63 -5.430 3.001 -4.408 1.00 0.00 N ATOM 876 CA ILE A 63 -6.357 1.884 -4.277 1.00 0.00 C ATOM 877 C ILE A 63 -6.730 1.316 -5.643 1.00 0.00 C ATOM 878 O ILE A 63 -6.924 0.109 -5.793 1.00 0.00 O ATOM 879 CB ILE A 63 -7.643 2.302 -3.539 1.00 0.00 C ATOM 880 CG1 ILE A 63 -7.302 2.886 -2.167 1.00 0.00 C ATOM 881 CG2 ILE A 63 -8.582 1.115 -3.398 1.00 0.00 C ATOM 882 CD1 ILE A 63 -6.519 1.939 -1.284 1.00 0.00 C ATOM 0 H ILE A 63 -5.760 3.874 -3.996 1.00 0.00 H new ATOM 0 HA ILE A 63 -5.846 1.117 -3.694 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.147 3.071 -4.124 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -6.727 3.802 -2.304 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.226 3.163 -1.659 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.486 1.426 -2.875 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -8.846 0.741 -4.387 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.088 0.326 -2.831 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.313 2.420 -0.328 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.101 1.033 -1.116 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.578 1.681 -1.771 1.00 0.00 H new ATOM 894 N LYS A 64 -6.826 2.193 -6.636 1.00 0.00 N ATOM 895 CA LYS A 64 -7.173 1.780 -7.990 1.00 0.00 C ATOM 896 C LYS A 64 -6.006 1.054 -8.653 1.00 0.00 C ATOM 897 O LYS A 64 -6.204 0.204 -9.522 1.00 0.00 O ATOM 898 CB LYS A 64 -7.573 2.995 -8.829 1.00 0.00 C ATOM 899 CG LYS A 64 -8.563 3.914 -8.135 1.00 0.00 C ATOM 900 CD LYS A 64 -9.919 3.250 -7.970 1.00 0.00 C ATOM 901 CE LYS A 64 -10.667 3.172 -9.292 1.00 0.00 C ATOM 902 NZ LYS A 64 -11.911 2.361 -9.179 1.00 0.00 N ATOM 0 H LYS A 64 -6.668 3.195 -6.528 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.018 1.094 -7.929 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.677 3.563 -9.080 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.006 2.651 -9.768 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.174 4.197 -7.157 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.674 4.832 -8.712 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.787 2.246 -7.566 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -10.513 3.809 -7.247 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.919 4.178 -9.627 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -10.018 2.737 -10.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -12.392 2.332 -10.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -11.669 1.393 -8.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -12.542 2.790 -8.473 1.00 0.00 H new ATOM 916 N TYR A 65 -4.791 1.393 -8.237 1.00 0.00 N ATOM 917 CA TYR A 65 -3.593 0.773 -8.789 1.00 0.00 C ATOM 918 C TYR A 65 -3.360 -0.605 -8.178 1.00 0.00 C ATOM 919 O TYR A 65 -2.898 -1.526 -8.851 1.00 0.00 O ATOM 920 CB TYR A 65 -2.375 1.665 -8.547 1.00 0.00 C ATOM 921 CG TYR A 65 -1.267 1.465 -9.558 1.00 0.00 C ATOM 922 CD1 TYR A 65 -1.458 1.782 -10.897 1.00 0.00 C ATOM 923 CD2 TYR A 65 -0.031 0.960 -9.174 1.00 0.00 C ATOM 924 CE1 TYR A 65 -0.451 1.601 -11.825 1.00 0.00 C ATOM 925 CE2 TYR A 65 0.983 0.778 -10.094 1.00 0.00 C ATOM 926 CZ TYR A 65 0.768 1.099 -11.418 1.00 0.00 C ATOM 927 OH TYR A 65 1.775 0.917 -12.337 1.00 0.00 O ATOM 0 H TYR A 65 -4.610 2.094 -7.519 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.739 0.652 -9.862 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -2.690 2.708 -8.567 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -1.984 1.469 -7.549 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -2.411 2.177 -11.218 1.00 0.00 H new ATOM 0 HD2 TYR A 65 0.140 0.705 -8.138 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.617 1.851 -12.863 1.00 0.00 H new ATOM 0 HE2 TYR A 65 1.939 0.387 -9.778 1.00 0.00 H new ATOM 0 HH TYR A 65 2.568 0.557 -11.887 1.00 0.00 H new ATOM 937 N MET A 66 -3.682 -0.738 -6.896 1.00 0.00 N ATOM 938 CA MET A 66 -3.509 -2.003 -6.192 1.00 0.00 C ATOM 939 C MET A 66 -4.582 -3.006 -6.605 1.00 0.00 C ATOM 940 O MET A 66 -4.290 -4.177 -6.850 1.00 0.00 O ATOM 941 CB MET A 66 -3.560 -1.781 -4.678 1.00 0.00 C ATOM 942 CG MET A 66 -2.222 -1.381 -4.079 1.00 0.00 C ATOM 943 SD MET A 66 -2.204 -1.499 -2.280 1.00 0.00 S ATOM 944 CE MET A 66 -3.229 -0.099 -1.838 1.00 0.00 C ATOM 0 H MET A 66 -4.064 0.015 -6.323 1.00 0.00 H new ATOM 0 HA MET A 66 -2.533 -2.408 -6.460 1.00 0.00 H new ATOM 0 HB2 MET A 66 -4.294 -1.006 -4.457 1.00 0.00 H new ATOM 0 HB3 MET A 66 -3.906 -2.695 -4.196 1.00 0.00 H new ATOM 0 HG2 MET A 66 -1.439 -2.019 -4.489 1.00 0.00 H new ATOM 0 HG3 MET A 66 -1.987 -0.359 -4.375 1.00 0.00 H new ATOM 0 HE1 MET A 66 -2.612 0.673 -1.379 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.704 0.301 -2.734 1.00 0.00 H new ATOM 0 HE3 MET A 66 -3.996 -0.418 -1.132 1.00 0.00 H new ATOM 954 N LYS A 67 -5.823 -2.540 -6.682 1.00 0.00 N ATOM 955 CA LYS A 67 -6.940 -3.394 -7.068 1.00 0.00 C ATOM 956 C LYS A 67 -6.729 -3.969 -8.465 1.00 0.00 C ATOM 957 O LYS A 67 -7.105 -5.108 -8.740 1.00 0.00 O ATOM 958 CB LYS A 67 -8.252 -2.608 -7.022 1.00 0.00 C ATOM 959 CG LYS A 67 -8.377 -1.568 -8.123 1.00 0.00 C ATOM 960 CD LYS A 67 -9.714 -0.850 -8.062 1.00 0.00 C ATOM 961 CE LYS A 67 -10.836 -1.710 -8.625 1.00 0.00 C ATOM 962 NZ LYS A 67 -10.742 -1.847 -10.105 1.00 0.00 N ATOM 0 H LYS A 67 -6.081 -1.574 -6.482 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.994 -4.220 -6.358 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.086 -3.305 -7.096 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.335 -2.113 -6.055 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.569 -0.842 -8.033 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.266 -2.050 -9.094 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.940 -0.587 -7.029 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.653 0.083 -8.623 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.801 -2.698 -8.166 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.798 -1.270 -8.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.641 -2.214 -10.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.546 -0.917 -10.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.974 -2.506 -10.345 1.00 0.00 H new ATOM 976 N ARG A 68 -6.124 -3.174 -9.341 1.00 0.00 N ATOM 977 CA ARG A 68 -5.862 -3.604 -10.709 1.00 0.00 C ATOM 978 C ARG A 68 -4.617 -4.484 -10.773 1.00 0.00 C ATOM 979 O ARG A 68 -4.474 -5.311 -11.676 1.00 0.00 O ATOM 980 CB ARG A 68 -5.690 -2.391 -11.624 1.00 0.00 C ATOM 981 CG ARG A 68 -4.424 -1.596 -11.349 1.00 0.00 C ATOM 982 CD ARG A 68 -4.166 -0.565 -12.437 1.00 0.00 C ATOM 983 NE ARG A 68 -4.720 0.742 -12.095 1.00 0.00 N ATOM 984 CZ ARG A 68 -5.966 1.108 -12.374 1.00 0.00 C ATOM 985 NH1 ARG A 68 -6.783 0.270 -12.996 1.00 0.00 N ATOM 986 NH2 ARG A 68 -6.397 2.315 -12.031 1.00 0.00 N ATOM 0 H ARG A 68 -5.806 -2.229 -9.128 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.717 -4.188 -11.049 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.680 -2.727 -12.661 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.553 -1.735 -11.510 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.510 -1.095 -10.385 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.574 -2.275 -11.281 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.092 -0.472 -12.601 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.603 -0.910 -13.374 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.117 1.411 -11.616 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.455 -0.659 -13.262 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.739 0.554 -13.209 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.771 2.963 -11.553 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.354 2.595 -12.246 1.00 0.00 H new ATOM 1000 N LEU A 69 -3.719 -4.301 -9.813 1.00 0.00 N ATOM 1001 CA LEU A 69 -2.486 -5.077 -9.760 1.00 0.00 C ATOM 1002 C LEU A 69 -2.739 -6.464 -9.177 1.00 0.00 C ATOM 1003 O LEU A 69 -2.428 -7.478 -9.802 1.00 0.00 O ATOM 1004 CB LEU A 69 -1.433 -4.345 -8.924 1.00 0.00 C ATOM 1005 CG LEU A 69 -0.505 -3.403 -9.691 1.00 0.00 C ATOM 1006 CD1 LEU A 69 0.337 -2.582 -8.726 1.00 0.00 C ATOM 1007 CD2 LEU A 69 0.386 -4.189 -10.642 1.00 0.00 C ATOM 0 H LEU A 69 -3.822 -3.621 -9.060 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.116 -5.193 -10.779 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.946 -3.770 -8.153 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.822 -5.089 -8.413 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.118 -2.720 -10.280 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.992 -1.917 -9.289 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.317 -1.990 -8.085 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.940 -3.250 -8.111 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.040 -3.502 -11.179 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.991 -4.896 -10.074 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.233 -4.733 -11.355 1.00 0.00 H new ATOM 1019 N MET A 70 -3.307 -6.500 -7.975 1.00 0.00 N ATOM 1020 CA MET A 70 -3.606 -7.763 -7.310 1.00 0.00 C ATOM 1021 C MET A 70 -4.480 -8.649 -8.191 1.00 0.00 C ATOM 1022 O MET A 70 -4.468 -9.872 -8.061 1.00 0.00 O ATOM 1023 CB MET A 70 -4.304 -7.506 -5.973 1.00 0.00 C ATOM 1024 CG MET A 70 -3.343 -7.320 -4.810 1.00 0.00 C ATOM 1025 SD MET A 70 -2.480 -5.739 -4.868 1.00 0.00 S ATOM 1026 CE MET A 70 -2.073 -5.512 -3.138 1.00 0.00 C ATOM 0 H MET A 70 -3.569 -5.670 -7.443 1.00 0.00 H new ATOM 0 HA MET A 70 -2.664 -8.280 -7.127 1.00 0.00 H new ATOM 0 HB2 MET A 70 -4.928 -6.617 -6.064 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.969 -8.341 -5.754 1.00 0.00 H new ATOM 0 HG2 MET A 70 -3.894 -7.394 -3.873 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.612 -8.129 -4.815 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.114 -5.000 -3.054 1.00 0.00 H new ATOM 0 HE2 MET A 70 -2.847 -4.913 -2.658 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.010 -6.484 -2.649 1.00 0.00 H new ATOM 1036 N GLN A 71 -5.235 -8.023 -9.087 1.00 0.00 N ATOM 1037 CA GLN A 71 -6.115 -8.757 -9.990 1.00 0.00 C ATOM 1038 C GLN A 71 -5.316 -9.696 -10.886 1.00 0.00 C ATOM 1039 O GLN A 71 -5.700 -10.846 -11.092 1.00 0.00 O ATOM 1040 CB GLN A 71 -6.928 -7.783 -10.846 1.00 0.00 C ATOM 1041 CG GLN A 71 -8.251 -7.378 -10.218 1.00 0.00 C ATOM 1042 CD GLN A 71 -8.864 -6.161 -10.882 1.00 0.00 C ATOM 1043 OE1 GLN A 71 -8.727 -5.963 -12.089 1.00 0.00 O ATOM 1044 NE2 GLN A 71 -9.546 -5.337 -10.095 1.00 0.00 N ATOM 0 H GLN A 71 -5.256 -7.010 -9.208 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.797 -9.356 -9.386 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -6.333 -6.888 -11.027 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -7.121 -8.240 -11.817 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.950 -8.212 -10.282 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.098 -7.171 -9.159 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.635 -5.540 -9.099 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.981 -4.502 -10.486 1.00 0.00 H new ATOM 1053 N GLN A 72 -4.204 -9.197 -11.415 1.00 0.00 N ATOM 1054 CA GLN A 72 -3.351 -9.992 -12.291 1.00 0.00 C ATOM 1055 C GLN A 72 -2.874 -11.257 -11.583 1.00 0.00 C ATOM 1056 O GLN A 72 -2.516 -12.243 -12.228 1.00 0.00 O ATOM 1057 CB GLN A 72 -2.148 -9.168 -12.753 1.00 0.00 C ATOM 1058 CG GLN A 72 -1.025 -9.104 -11.731 1.00 0.00 C ATOM 1059 CD GLN A 72 -0.345 -7.750 -11.695 1.00 0.00 C ATOM 1060 OE1 GLN A 72 -0.581 -6.901 -12.554 1.00 0.00 O ATOM 1061 NE2 GLN A 72 0.504 -7.540 -10.696 1.00 0.00 N ATOM 0 H GLN A 72 -3.872 -8.246 -11.253 1.00 0.00 H new ATOM 0 HA GLN A 72 -3.938 -10.283 -13.162 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -1.761 -9.593 -13.679 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.478 -8.155 -12.981 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.425 -9.332 -10.743 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -0.286 -9.872 -11.961 1.00 0.00 H new ATOM 0 HE21 GLN A 72 0.670 -8.272 -10.005 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.990 -6.647 -10.619 1.00 0.00 H new ATOM 1070 N SER A 73 -2.871 -11.221 -10.254 1.00 0.00 N ATOM 1071 CA SER A 73 -2.434 -12.362 -9.460 1.00 0.00 C ATOM 1072 C SER A 73 -3.614 -13.263 -9.108 1.00 0.00 C ATOM 1073 O SER A 73 -4.745 -12.798 -8.970 1.00 0.00 O ATOM 1074 CB SER A 73 -1.743 -11.885 -8.180 1.00 0.00 C ATOM 1075 OG SER A 73 -0.359 -11.674 -8.397 1.00 0.00 O ATOM 0 H SER A 73 -3.166 -10.414 -9.705 1.00 0.00 H new ATOM 0 HA SER A 73 -1.725 -12.937 -10.055 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.206 -10.960 -7.836 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.882 -12.624 -7.391 1.00 0.00 H new ATOM 0 HG SER A 73 0.060 -11.368 -7.565 1.00 0.00 H new ATOM 1081 N VAL A 74 -3.340 -14.556 -8.964 1.00 0.00 N ATOM 1082 CA VAL A 74 -4.378 -15.524 -8.628 1.00 0.00 C ATOM 1083 C VAL A 74 -4.247 -15.990 -7.183 1.00 0.00 C ATOM 1084 O VAL A 74 -5.211 -16.465 -6.583 1.00 0.00 O ATOM 1085 CB VAL A 74 -4.325 -16.750 -9.559 1.00 0.00 C ATOM 1086 CG1 VAL A 74 -4.388 -16.318 -11.016 1.00 0.00 C ATOM 1087 CG2 VAL A 74 -3.071 -17.568 -9.290 1.00 0.00 C ATOM 0 H VAL A 74 -2.409 -14.957 -9.075 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.336 -15.020 -8.759 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.192 -17.378 -9.354 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.349 -17.198 -11.658 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.318 -15.778 -11.196 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.542 -15.668 -11.240 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.049 -18.430 -9.956 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.190 -16.951 -9.466 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.074 -17.909 -8.255 1.00 0.00 H new ATOM 1097 N GLU A 75 -3.046 -15.851 -6.629 1.00 0.00 N ATOM 1098 CA GLU A 75 -2.788 -16.260 -5.252 1.00 0.00 C ATOM 1099 C GLU A 75 -3.811 -15.644 -4.302 1.00 0.00 C ATOM 1100 O GLU A 75 -4.122 -14.456 -4.392 1.00 0.00 O ATOM 1101 CB GLU A 75 -1.375 -15.852 -4.832 1.00 0.00 C ATOM 1102 CG GLU A 75 -0.302 -16.263 -5.826 1.00 0.00 C ATOM 1103 CD GLU A 75 -0.395 -17.726 -6.214 1.00 0.00 C ATOM 1104 OE1 GLU A 75 -0.550 -18.570 -5.306 1.00 0.00 O ATOM 1105 OE2 GLU A 75 -0.314 -18.027 -7.422 1.00 0.00 O ATOM 0 H GLU A 75 -2.237 -15.459 -7.112 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.875 -17.345 -5.199 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.342 -14.770 -4.701 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -1.150 -16.297 -3.863 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.387 -15.647 -6.722 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.680 -16.067 -5.396 1.00 0.00 H new ATOM 1112 N SER A 76 -4.332 -16.461 -3.393 1.00 0.00 N ATOM 1113 CA SER A 76 -5.323 -15.999 -2.428 1.00 0.00 C ATOM 1114 C SER A 76 -4.704 -15.011 -1.443 1.00 0.00 C ATOM 1115 O SER A 76 -5.389 -14.145 -0.900 1.00 0.00 O ATOM 1116 CB SER A 76 -5.919 -17.186 -1.669 1.00 0.00 C ATOM 1117 OG SER A 76 -6.258 -18.238 -2.554 1.00 0.00 O ATOM 0 H SER A 76 -4.085 -17.447 -3.304 1.00 0.00 H new ATOM 0 HA SER A 76 -6.117 -15.491 -2.976 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.203 -17.545 -0.929 1.00 0.00 H new ATOM 0 HB3 SER A 76 -6.807 -16.865 -1.124 1.00 0.00 H new ATOM 0 HG SER A 76 -6.635 -18.985 -2.045 1.00 0.00 H new ATOM 1123 N VAL A 77 -3.401 -15.148 -1.217 1.00 0.00 N ATOM 1124 CA VAL A 77 -2.687 -14.269 -0.300 1.00 0.00 C ATOM 1125 C VAL A 77 -2.781 -12.815 -0.747 1.00 0.00 C ATOM 1126 O VAL A 77 -2.929 -11.910 0.074 1.00 0.00 O ATOM 1127 CB VAL A 77 -1.202 -14.664 -0.184 1.00 0.00 C ATOM 1128 CG1 VAL A 77 -0.542 -14.666 -1.553 1.00 0.00 C ATOM 1129 CG2 VAL A 77 -0.475 -13.727 0.768 1.00 0.00 C ATOM 0 H VAL A 77 -2.819 -15.860 -1.657 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.161 -14.378 0.675 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.142 -15.674 0.222 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.506 -14.947 -1.451 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.049 -15.382 -2.200 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.610 -13.670 -1.991 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.572 -14.020 0.838 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.541 -12.705 0.394 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.934 -13.783 1.755 1.00 0.00 H new ATOM 1139 N TRP A 78 -2.694 -12.597 -2.054 1.00 0.00 N ATOM 1140 CA TRP A 78 -2.770 -11.252 -2.612 1.00 0.00 C ATOM 1141 C TRP A 78 -4.205 -10.738 -2.601 1.00 0.00 C ATOM 1142 O TRP A 78 -4.465 -9.603 -2.206 1.00 0.00 O ATOM 1143 CB TRP A 78 -2.221 -11.238 -4.039 1.00 0.00 C ATOM 1144 CG TRP A 78 -0.728 -11.116 -4.100 1.00 0.00 C ATOM 1145 CD1 TRP A 78 0.151 -12.040 -4.588 1.00 0.00 C ATOM 1146 CD2 TRP A 78 0.061 -10.006 -3.654 1.00 0.00 C ATOM 1147 NE1 TRP A 78 1.437 -11.572 -4.473 1.00 0.00 N ATOM 1148 CE2 TRP A 78 1.409 -10.326 -3.905 1.00 0.00 C ATOM 1149 CE3 TRP A 78 -0.242 -8.773 -3.071 1.00 0.00 C ATOM 1150 CZ2 TRP A 78 2.451 -9.458 -3.590 1.00 0.00 C ATOM 1151 CZ3 TRP A 78 0.793 -7.912 -2.759 1.00 0.00 C ATOM 1152 CH2 TRP A 78 2.126 -8.257 -3.019 1.00 0.00 C ATOM 0 H TRP A 78 -2.571 -13.335 -2.748 1.00 0.00 H new ATOM 0 HA TRP A 78 -2.164 -10.593 -1.991 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -2.525 -12.154 -4.546 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -2.669 -10.408 -4.585 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -0.125 -12.998 -5.003 1.00 0.00 H new ATOM 0 HE1 TRP A 78 2.277 -12.072 -4.764 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -1.266 -8.498 -2.868 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 3.479 -9.723 -3.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 0.571 -6.957 -2.307 1.00 0.00 H new ATOM 0 HH2 TRP A 78 2.912 -7.562 -2.764 1.00 0.00 H new ATOM 1163 N ASN A 79 -5.134 -11.582 -3.038 1.00 0.00 N ATOM 1164 CA ASN A 79 -6.545 -11.212 -3.079 1.00 0.00 C ATOM 1165 C ASN A 79 -7.063 -10.888 -1.681 1.00 0.00 C ATOM 1166 O ASN A 79 -7.733 -9.877 -1.477 1.00 0.00 O ATOM 1167 CB ASN A 79 -7.372 -12.343 -3.692 1.00 0.00 C ATOM 1168 CG ASN A 79 -7.175 -12.458 -5.192 1.00 0.00 C ATOM 1169 OD1 ASN A 79 -7.750 -11.692 -5.965 1.00 0.00 O ATOM 1170 ND2 ASN A 79 -6.358 -13.418 -5.609 1.00 0.00 N ATOM 0 H ASN A 79 -4.936 -12.526 -3.369 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.644 -10.321 -3.699 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.099 -13.286 -3.219 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -8.428 -12.174 -3.479 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.186 -13.543 -6.606 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.903 -14.030 -4.932 1.00 0.00 H new ATOM 1177 N MET A 80 -6.746 -11.753 -0.723 1.00 0.00 N ATOM 1178 CA MET A 80 -7.178 -11.557 0.655 1.00 0.00 C ATOM 1179 C MET A 80 -6.484 -10.349 1.276 1.00 0.00 C ATOM 1180 O MET A 80 -7.111 -9.550 1.970 1.00 0.00 O ATOM 1181 CB MET A 80 -6.888 -12.809 1.485 1.00 0.00 C ATOM 1182 CG MET A 80 -7.767 -13.995 1.125 1.00 0.00 C ATOM 1183 SD MET A 80 -7.882 -15.206 2.455 1.00 0.00 S ATOM 1184 CE MET A 80 -9.625 -15.110 2.852 1.00 0.00 C ATOM 0 H MET A 80 -6.192 -12.596 -0.876 1.00 0.00 H new ATOM 0 HA MET A 80 -8.252 -11.373 0.650 1.00 0.00 H new ATOM 0 HB2 MET A 80 -5.843 -13.089 1.352 1.00 0.00 H new ATOM 0 HB3 MET A 80 -7.024 -12.574 2.541 1.00 0.00 H new ATOM 0 HG2 MET A 80 -8.767 -13.639 0.876 1.00 0.00 H new ATOM 0 HG3 MET A 80 -7.370 -14.478 0.232 1.00 0.00 H new ATOM 0 HE1 MET A 80 -9.853 -15.804 3.661 1.00 0.00 H new ATOM 0 HE2 MET A 80 -9.872 -14.095 3.164 1.00 0.00 H new ATOM 0 HE3 MET A 80 -10.213 -15.372 1.973 1.00 0.00 H new ATOM 1194 N ALA A 81 -5.185 -10.223 1.022 1.00 0.00 N ATOM 1195 CA ALA A 81 -4.407 -9.112 1.555 1.00 0.00 C ATOM 1196 C ALA A 81 -5.032 -7.774 1.179 1.00 0.00 C ATOM 1197 O ALA A 81 -5.302 -6.938 2.043 1.00 0.00 O ATOM 1198 CB ALA A 81 -2.972 -9.185 1.055 1.00 0.00 C ATOM 0 H ALA A 81 -4.650 -10.877 0.450 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.406 -9.190 2.642 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.402 -8.349 1.461 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.521 -10.123 1.379 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.963 -9.135 -0.034 1.00 0.00 H new ATOM 1204 N PHE A 82 -5.262 -7.575 -0.115 1.00 0.00 N ATOM 1205 CA PHE A 82 -5.855 -6.336 -0.605 1.00 0.00 C ATOM 1206 C PHE A 82 -7.175 -6.048 0.103 1.00 0.00 C ATOM 1207 O PHE A 82 -7.446 -4.912 0.495 1.00 0.00 O ATOM 1208 CB PHE A 82 -6.080 -6.417 -2.117 1.00 0.00 C ATOM 1209 CG PHE A 82 -6.880 -5.270 -2.666 1.00 0.00 C ATOM 1210 CD1 PHE A 82 -6.497 -3.962 -2.419 1.00 0.00 C ATOM 1211 CD2 PHE A 82 -8.012 -5.502 -3.430 1.00 0.00 C ATOM 1212 CE1 PHE A 82 -7.232 -2.904 -2.923 1.00 0.00 C ATOM 1213 CE2 PHE A 82 -8.750 -4.448 -3.936 1.00 0.00 C ATOM 1214 CZ PHE A 82 -8.358 -3.148 -3.683 1.00 0.00 C ATOM 0 H PHE A 82 -5.047 -8.256 -0.843 1.00 0.00 H new ATOM 0 HA PHE A 82 -5.163 -5.521 -0.391 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -5.113 -6.448 -2.619 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -6.591 -7.351 -2.351 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -5.615 -3.766 -1.827 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -8.321 -6.517 -3.632 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.925 -1.888 -2.722 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -9.632 -4.641 -4.528 1.00 0.00 H new ATOM 0 HZ PHE A 82 -8.932 -2.323 -4.079 1.00 0.00 H new ATOM 1224 N ASP A 83 -7.992 -7.082 0.262 1.00 0.00 N ATOM 1225 CA ASP A 83 -9.284 -6.941 0.923 1.00 0.00 C ATOM 1226 C ASP A 83 -9.119 -6.337 2.314 1.00 0.00 C ATOM 1227 O ASP A 83 -9.888 -5.463 2.717 1.00 0.00 O ATOM 1228 CB ASP A 83 -9.982 -8.299 1.022 1.00 0.00 C ATOM 1229 CG ASP A 83 -11.161 -8.275 1.974 1.00 0.00 C ATOM 1230 OD1 ASP A 83 -12.144 -7.563 1.683 1.00 0.00 O ATOM 1231 OD2 ASP A 83 -11.102 -8.970 3.011 1.00 0.00 O ATOM 0 H ASP A 83 -7.783 -8.028 -0.058 1.00 0.00 H new ATOM 0 HA ASP A 83 -9.899 -6.269 0.325 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -10.324 -8.602 0.032 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -9.265 -9.050 1.355 1.00 0.00 H new ATOM 1236 N PHE A 84 -8.114 -6.809 3.044 1.00 0.00 N ATOM 1237 CA PHE A 84 -7.850 -6.318 4.390 1.00 0.00 C ATOM 1238 C PHE A 84 -7.205 -4.935 4.348 1.00 0.00 C ATOM 1239 O PHE A 84 -7.562 -4.049 5.125 1.00 0.00 O ATOM 1240 CB PHE A 84 -6.943 -7.293 5.144 1.00 0.00 C ATOM 1241 CG PHE A 84 -6.543 -6.807 6.508 1.00 0.00 C ATOM 1242 CD1 PHE A 84 -5.440 -5.986 6.669 1.00 0.00 C ATOM 1243 CD2 PHE A 84 -7.271 -7.173 7.629 1.00 0.00 C ATOM 1244 CE1 PHE A 84 -5.069 -5.538 7.923 1.00 0.00 C ATOM 1245 CE2 PHE A 84 -6.905 -6.729 8.886 1.00 0.00 C ATOM 1246 CZ PHE A 84 -5.803 -5.909 9.033 1.00 0.00 C ATOM 0 H PHE A 84 -7.469 -7.532 2.725 1.00 0.00 H new ATOM 0 HA PHE A 84 -8.803 -6.240 4.914 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -7.455 -8.250 5.244 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -6.045 -7.472 4.553 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.863 -5.692 5.805 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -8.134 -7.813 7.519 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -4.206 -4.898 8.035 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -7.480 -7.023 9.752 1.00 0.00 H new ATOM 0 HZ PHE A 84 -5.516 -5.559 10.013 1.00 0.00 H new ATOM 1256 N ILE A 85 -6.255 -4.760 3.437 1.00 0.00 N ATOM 1257 CA ILE A 85 -5.560 -3.487 3.292 1.00 0.00 C ATOM 1258 C ILE A 85 -6.536 -2.363 2.961 1.00 0.00 C ATOM 1259 O ILE A 85 -6.620 -1.366 3.679 1.00 0.00 O ATOM 1260 CB ILE A 85 -4.482 -3.555 2.196 1.00 0.00 C ATOM 1261 CG1 ILE A 85 -3.448 -4.631 2.533 1.00 0.00 C ATOM 1262 CG2 ILE A 85 -3.808 -2.200 2.029 1.00 0.00 C ATOM 1263 CD1 ILE A 85 -2.805 -5.255 1.314 1.00 0.00 C ATOM 0 H ILE A 85 -5.948 -5.484 2.787 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.080 -3.279 4.248 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.961 -3.819 1.253 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.671 -4.193 3.159 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.928 -5.413 3.121 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.048 -2.265 1.250 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.553 -1.455 1.748 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.340 -1.908 2.969 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.083 -6.009 1.629 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.572 -5.723 0.697 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.296 -4.484 0.736 1.00 0.00 H new ATOM 1275 N LEU A 86 -7.275 -2.531 1.869 1.00 0.00 N ATOM 1276 CA LEU A 86 -8.248 -1.532 1.442 1.00 0.00 C ATOM 1277 C LEU A 86 -9.312 -1.317 2.512 1.00 0.00 C ATOM 1278 O LEU A 86 -9.782 -0.196 2.719 1.00 0.00 O ATOM 1279 CB LEU A 86 -8.907 -1.961 0.130 1.00 0.00 C ATOM 1280 CG LEU A 86 -9.958 -3.067 0.237 1.00 0.00 C ATOM 1281 CD1 LEU A 86 -11.337 -2.470 0.468 1.00 0.00 C ATOM 1282 CD2 LEU A 86 -9.951 -3.931 -1.015 1.00 0.00 C ATOM 0 H LEU A 86 -7.218 -3.350 1.264 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.721 -0.591 1.286 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -9.374 -1.086 -0.322 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.126 -2.294 -0.554 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.710 -3.698 1.091 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -12.073 -3.271 0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -11.334 -1.894 1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -11.595 -1.816 -0.365 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.705 -4.713 -0.922 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.175 -3.313 -1.885 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.969 -4.387 -1.137 1.00 0.00 H new ATOM 1294 N ASP A 87 -9.688 -2.395 3.191 1.00 0.00 N ATOM 1295 CA ASP A 87 -10.696 -2.323 4.243 1.00 0.00 C ATOM 1296 C ASP A 87 -10.194 -1.494 5.421 1.00 0.00 C ATOM 1297 O ASP A 87 -10.975 -0.832 6.104 1.00 0.00 O ATOM 1298 CB ASP A 87 -11.069 -3.729 4.717 1.00 0.00 C ATOM 1299 CG ASP A 87 -12.010 -3.708 5.905 1.00 0.00 C ATOM 1300 OD1 ASP A 87 -12.943 -2.878 5.909 1.00 0.00 O ATOM 1301 OD2 ASP A 87 -11.814 -4.522 6.831 1.00 0.00 O ATOM 0 H ASP A 87 -9.310 -3.329 3.032 1.00 0.00 H new ATOM 0 HA ASP A 87 -11.581 -1.838 3.831 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -11.536 -4.274 3.897 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -10.162 -4.272 4.985 1.00 0.00 H new ATOM 1306 N ASN A 88 -8.885 -1.533 5.651 1.00 0.00 N ATOM 1307 CA ASN A 88 -8.280 -0.786 6.748 1.00 0.00 C ATOM 1308 C ASN A 88 -8.308 0.713 6.465 1.00 0.00 C ATOM 1309 O ASN A 88 -8.664 1.513 7.330 1.00 0.00 O ATOM 1310 CB ASN A 88 -6.838 -1.247 6.972 1.00 0.00 C ATOM 1311 CG ASN A 88 -6.742 -2.380 7.976 1.00 0.00 C ATOM 1312 OD1 ASN A 88 -5.890 -2.365 8.864 1.00 0.00 O ATOM 1313 ND2 ASN A 88 -7.619 -3.367 7.839 1.00 0.00 N ATOM 0 H ASN A 88 -8.224 -2.073 5.093 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.861 -0.979 7.650 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -6.411 -1.570 6.022 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -6.240 -0.405 7.321 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -7.604 -4.156 8.486 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -8.308 -3.337 7.087 1.00 0.00 H new ATOM 1320 N VAL A 89 -7.929 1.087 5.247 1.00 0.00 N ATOM 1321 CA VAL A 89 -7.913 2.489 4.848 1.00 0.00 C ATOM 1322 C VAL A 89 -9.329 3.025 4.665 1.00 0.00 C ATOM 1323 O VAL A 89 -9.586 4.209 4.884 1.00 0.00 O ATOM 1324 CB VAL A 89 -7.125 2.692 3.540 1.00 0.00 C ATOM 1325 CG1 VAL A 89 -5.674 2.273 3.720 1.00 0.00 C ATOM 1326 CG2 VAL A 89 -7.775 1.919 2.402 1.00 0.00 C ATOM 0 H VAL A 89 -7.629 0.438 4.519 1.00 0.00 H new ATOM 0 HA VAL A 89 -7.420 3.040 5.649 1.00 0.00 H new ATOM 0 HB VAL A 89 -7.143 3.752 3.286 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -5.133 2.424 2.786 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.216 2.875 4.505 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.631 1.220 3.998 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.206 2.073 1.485 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.790 0.857 2.645 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.796 2.272 2.259 1.00 0.00 H new ATOM 1336 N GLN A 90 -10.241 2.146 4.262 1.00 0.00 N ATOM 1337 CA GLN A 90 -11.630 2.532 4.049 1.00 0.00 C ATOM 1338 C GLN A 90 -12.360 2.694 5.378 1.00 0.00 C ATOM 1339 O GLN A 90 -13.286 3.498 5.496 1.00 0.00 O ATOM 1340 CB GLN A 90 -12.344 1.490 3.185 1.00 0.00 C ATOM 1341 CG GLN A 90 -11.898 1.496 1.731 1.00 0.00 C ATOM 1342 CD GLN A 90 -12.604 2.555 0.909 1.00 0.00 C ATOM 1343 OE1 GLN A 90 -13.603 2.278 0.245 1.00 0.00 O ATOM 1344 NE2 GLN A 90 -12.087 3.778 0.949 1.00 0.00 N ATOM 0 H GLN A 90 -10.043 1.163 4.077 1.00 0.00 H new ATOM 0 HA GLN A 90 -11.639 3.491 3.531 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -12.169 0.500 3.606 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -13.418 1.669 3.228 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -10.822 1.664 1.686 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -12.087 0.516 1.293 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -11.258 3.963 1.513 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -12.520 4.532 0.416 1.00 0.00 H new ATOM 1353 N VAL A 91 -11.937 1.926 6.377 1.00 0.00 N ATOM 1354 CA VAL A 91 -12.550 1.986 7.699 1.00 0.00 C ATOM 1355 C VAL A 91 -12.050 3.193 8.483 1.00 0.00 C ATOM 1356 O VAL A 91 -12.840 3.948 9.052 1.00 0.00 O ATOM 1357 CB VAL A 91 -12.263 0.707 8.508 1.00 0.00 C ATOM 1358 CG1 VAL A 91 -12.529 0.941 9.988 1.00 0.00 C ATOM 1359 CG2 VAL A 91 -13.096 -0.453 7.985 1.00 0.00 C ATOM 0 H VAL A 91 -11.173 1.255 6.296 1.00 0.00 H new ATOM 0 HA VAL A 91 -13.625 2.077 7.546 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.210 0.451 8.388 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.321 0.027 10.544 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.884 1.741 10.351 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -13.572 1.223 10.130 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -12.880 -1.348 8.568 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -14.155 -0.209 8.073 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.851 -0.634 6.938 1.00 0.00 H new ATOM 1369 N VAL A 92 -10.733 3.371 8.509 1.00 0.00 N ATOM 1370 CA VAL A 92 -10.126 4.489 9.223 1.00 0.00 C ATOM 1371 C VAL A 92 -10.738 5.816 8.787 1.00 0.00 C ATOM 1372 O VAL A 92 -11.040 6.675 9.617 1.00 0.00 O ATOM 1373 CB VAL A 92 -8.604 4.539 8.996 1.00 0.00 C ATOM 1374 CG1 VAL A 92 -8.285 4.557 7.510 1.00 0.00 C ATOM 1375 CG2 VAL A 92 -8.002 5.750 9.695 1.00 0.00 C ATOM 0 H VAL A 92 -10.066 2.756 8.044 1.00 0.00 H new ATOM 0 HA VAL A 92 -10.323 4.332 10.284 1.00 0.00 H new ATOM 0 HB VAL A 92 -8.160 3.641 9.426 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -7.205 4.592 7.370 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -8.682 3.656 7.042 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -8.739 5.435 7.051 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.926 5.771 9.525 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.450 6.660 9.296 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.199 5.687 10.765 1.00 0.00 H new ATOM 1385 N LEU A 93 -10.920 5.976 7.481 1.00 0.00 N ATOM 1386 CA LEU A 93 -11.496 7.199 6.933 1.00 0.00 C ATOM 1387 C LEU A 93 -12.998 7.257 7.193 1.00 0.00 C ATOM 1388 O LEU A 93 -13.580 8.337 7.291 1.00 0.00 O ATOM 1389 CB LEU A 93 -11.223 7.287 5.430 1.00 0.00 C ATOM 1390 CG LEU A 93 -12.264 6.634 4.520 1.00 0.00 C ATOM 1391 CD1 LEU A 93 -13.356 7.629 4.159 1.00 0.00 C ATOM 1392 CD2 LEU A 93 -11.603 6.085 3.263 1.00 0.00 C ATOM 0 H LEU A 93 -10.677 5.274 6.782 1.00 0.00 H new ATOM 0 HA LEU A 93 -11.026 8.047 7.431 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -11.140 8.339 5.157 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -10.255 6.828 5.229 1.00 0.00 H new ATOM 0 HG LEU A 93 -12.721 5.804 5.059 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -14.088 7.147 3.511 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.848 7.975 5.068 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -12.916 8.480 3.639 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -12.358 5.624 2.627 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -11.119 6.898 2.721 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.857 5.340 3.540 1.00 0.00 H new ATOM 1404 N GLN A 94 -13.619 6.088 7.305 1.00 0.00 N ATOM 1405 CA GLN A 94 -15.053 6.006 7.555 1.00 0.00 C ATOM 1406 C GLN A 94 -15.393 6.516 8.952 1.00 0.00 C ATOM 1407 O GLN A 94 -16.516 6.945 9.209 1.00 0.00 O ATOM 1408 CB GLN A 94 -15.539 4.564 7.394 1.00 0.00 C ATOM 1409 CG GLN A 94 -16.940 4.330 7.935 1.00 0.00 C ATOM 1410 CD GLN A 94 -17.429 2.914 7.698 1.00 0.00 C ATOM 1411 OE1 GLN A 94 -18.555 2.701 7.246 1.00 0.00 O ATOM 1412 NE2 GLN A 94 -16.582 1.937 8.000 1.00 0.00 N ATOM 0 H GLN A 94 -13.152 5.185 7.227 1.00 0.00 H new ATOM 0 HA GLN A 94 -15.560 6.637 6.824 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -15.518 4.298 6.337 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -14.845 3.896 7.905 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -16.952 4.540 9.004 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -17.629 5.032 7.465 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -15.659 2.159 8.372 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -16.855 0.964 7.860 1.00 0.00 H new ATOM 1421 N GLN A 95 -14.413 6.465 9.849 1.00 0.00 N ATOM 1422 CA GLN A 95 -14.609 6.921 11.220 1.00 0.00 C ATOM 1423 C GLN A 95 -14.518 8.441 11.305 1.00 0.00 C ATOM 1424 O GLN A 95 -15.220 9.073 12.096 1.00 0.00 O ATOM 1425 CB GLN A 95 -13.572 6.284 12.146 1.00 0.00 C ATOM 1426 CG GLN A 95 -13.527 4.767 12.054 1.00 0.00 C ATOM 1427 CD GLN A 95 -13.131 4.115 13.364 1.00 0.00 C ATOM 1428 OE1 GLN A 95 -13.984 3.774 14.184 1.00 0.00 O ATOM 1429 NE2 GLN A 95 -11.831 3.937 13.568 1.00 0.00 N ATOM 0 H GLN A 95 -13.476 6.113 9.651 1.00 0.00 H new ATOM 0 HA GLN A 95 -15.606 6.615 11.539 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -12.587 6.684 11.905 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -13.790 6.571 13.175 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -14.505 4.396 11.749 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.819 4.475 11.278 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -11.158 4.235 12.861 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -11.505 3.503 14.431 1.00 0.00 H new ATOM 1438 N THR A 96 -13.648 9.024 10.486 1.00 0.00 N ATOM 1439 CA THR A 96 -13.464 10.470 10.471 1.00 0.00 C ATOM 1440 C THR A 96 -14.464 11.141 9.536 1.00 0.00 C ATOM 1441 O THR A 96 -14.895 12.269 9.780 1.00 0.00 O ATOM 1442 CB THR A 96 -12.036 10.850 10.035 1.00 0.00 C ATOM 1443 OG1 THR A 96 -11.793 12.235 10.304 1.00 0.00 O ATOM 1444 CG2 THR A 96 -11.830 10.572 8.553 1.00 0.00 C ATOM 0 H THR A 96 -13.060 8.517 9.825 1.00 0.00 H new ATOM 0 HA THR A 96 -13.630 10.821 11.489 1.00 0.00 H new ATOM 0 HB THR A 96 -11.333 10.242 10.604 1.00 0.00 H new ATOM 0 HG1 THR A 96 -10.883 12.468 10.025 1.00 0.00 H new ATOM 0 HG21 THR A 96 -10.815 10.848 8.269 1.00 0.00 H new ATOM 0 HG22 THR A 96 -11.986 9.511 8.357 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.542 11.157 7.971 1.00 0.00 H new ATOM 1452 N TYR A 97 -14.829 10.443 8.467 1.00 0.00 N ATOM 1453 CA TYR A 97 -15.777 10.973 7.495 1.00 0.00 C ATOM 1454 C TYR A 97 -17.190 10.474 7.784 1.00 0.00 C ATOM 1455 O TYR A 97 -18.125 11.263 7.908 1.00 0.00 O ATOM 1456 CB TYR A 97 -15.362 10.574 6.077 1.00 0.00 C ATOM 1457 CG TYR A 97 -14.223 11.400 5.525 1.00 0.00 C ATOM 1458 CD1 TYR A 97 -14.437 12.688 5.049 1.00 0.00 C ATOM 1459 CD2 TYR A 97 -12.930 10.890 5.479 1.00 0.00 C ATOM 1460 CE1 TYR A 97 -13.397 13.444 4.544 1.00 0.00 C ATOM 1461 CE2 TYR A 97 -11.884 11.640 4.976 1.00 0.00 C ATOM 1462 CZ TYR A 97 -12.123 12.917 4.509 1.00 0.00 C ATOM 1463 OH TYR A 97 -11.085 13.667 4.007 1.00 0.00 O ATOM 0 H TYR A 97 -14.482 9.508 8.251 1.00 0.00 H new ATOM 0 HA TYR A 97 -15.772 12.060 7.575 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -15.072 9.523 6.074 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -16.223 10.669 5.415 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -15.433 13.105 5.074 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -12.740 9.891 5.843 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -13.581 14.443 4.178 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.885 11.230 4.948 1.00 0.00 H new ATOM 0 HH TYR A 97 -10.405 13.791 4.702 1.00 0.00 H new ATOM 1473 N GLY A 98 -17.334 9.157 7.889 1.00 0.00 N ATOM 1474 CA GLY A 98 -18.635 8.574 8.163 1.00 0.00 C ATOM 1475 C GLY A 98 -19.043 7.550 7.121 1.00 0.00 C ATOM 1476 O GLY A 98 -19.926 6.728 7.361 1.00 0.00 O ATOM 0 H GLY A 98 -16.574 8.484 7.789 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -18.618 8.102 9.145 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -19.383 9.366 8.203 1.00 0.00 H new ATOM 1480 N SER A 99 -18.400 7.603 5.958 1.00 0.00 N ATOM 1481 CA SER A 99 -18.703 6.678 4.874 1.00 0.00 C ATOM 1482 C SER A 99 -17.423 6.159 4.227 1.00 0.00 C ATOM 1483 O SER A 99 -16.318 6.479 4.665 1.00 0.00 O ATOM 1484 CB SER A 99 -19.579 7.363 3.821 1.00 0.00 C ATOM 1485 OG SER A 99 -18.942 8.518 3.303 1.00 0.00 O ATOM 0 H SER A 99 -17.666 8.278 5.743 1.00 0.00 H new ATOM 0 HA SER A 99 -19.246 5.831 5.294 1.00 0.00 H new ATOM 0 HB2 SER A 99 -19.791 6.666 3.010 1.00 0.00 H new ATOM 0 HB3 SER A 99 -20.536 7.639 4.263 1.00 0.00 H new ATOM 0 HG SER A 99 -19.520 8.937 2.631 1.00 0.00 H new ATOM 1491 N THR A 100 -17.581 5.352 3.182 1.00 0.00 N ATOM 1492 CA THR A 100 -16.439 4.786 2.475 1.00 0.00 C ATOM 1493 C THR A 100 -16.519 5.075 0.980 1.00 0.00 C ATOM 1494 O THR A 100 -17.494 5.656 0.502 1.00 0.00 O ATOM 1495 CB THR A 100 -16.346 3.263 2.688 1.00 0.00 C ATOM 1496 OG1 THR A 100 -17.503 2.620 2.143 1.00 0.00 O ATOM 1497 CG2 THR A 100 -16.223 2.930 4.167 1.00 0.00 C ATOM 0 H THR A 100 -18.489 5.076 2.807 1.00 0.00 H new ATOM 0 HA THR A 100 -15.547 5.258 2.886 1.00 0.00 H new ATOM 0 HB THR A 100 -15.455 2.901 2.175 1.00 0.00 H new ATOM 0 HG1 THR A 100 -17.435 1.652 2.281 1.00 0.00 H new ATOM 0 HG21 THR A 100 -16.159 1.849 4.292 1.00 0.00 H new ATOM 0 HG22 THR A 100 -15.325 3.396 4.571 1.00 0.00 H new ATOM 0 HG23 THR A 100 -17.097 3.306 4.698 1.00 0.00 H new ATOM 1505 N LEU A 101 -15.489 4.666 0.248 1.00 0.00 N ATOM 1506 CA LEU A 101 -15.443 4.881 -1.194 1.00 0.00 C ATOM 1507 C LEU A 101 -15.996 3.672 -1.942 1.00 0.00 C ATOM 1508 O LEU A 101 -16.014 2.559 -1.418 1.00 0.00 O ATOM 1509 CB LEU A 101 -14.008 5.160 -1.643 1.00 0.00 C ATOM 1510 CG LEU A 101 -13.349 6.405 -1.048 1.00 0.00 C ATOM 1511 CD1 LEU A 101 -11.850 6.392 -1.308 1.00 0.00 C ATOM 1512 CD2 LEU A 101 -13.980 7.667 -1.620 1.00 0.00 C ATOM 0 H LEU A 101 -14.675 4.184 0.629 1.00 0.00 H new ATOM 0 HA LEU A 101 -16.064 5.746 -1.428 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -13.395 4.294 -1.392 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -14.000 5.253 -2.729 1.00 0.00 H new ATOM 0 HG LEU A 101 -13.510 6.398 0.030 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -11.398 7.286 -0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -11.409 5.506 -0.851 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -11.667 6.375 -2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -13.499 8.543 -1.186 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -13.850 7.681 -2.702 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -15.044 7.682 -1.382 1.00 0.00 H new ATOM 1524 N LYS A 102 -16.445 3.899 -3.173 1.00 0.00 N ATOM 1525 CA LYS A 102 -16.995 2.828 -3.996 1.00 0.00 C ATOM 1526 C LYS A 102 -15.901 2.162 -4.824 1.00 0.00 C ATOM 1527 O LYS A 102 -15.199 2.823 -5.590 1.00 0.00 O ATOM 1528 CB LYS A 102 -18.086 3.377 -4.919 1.00 0.00 C ATOM 1529 CG LYS A 102 -19.223 2.400 -5.163 1.00 0.00 C ATOM 1530 CD LYS A 102 -18.709 0.984 -5.366 1.00 0.00 C ATOM 1531 CE LYS A 102 -19.841 0.020 -5.682 1.00 0.00 C ATOM 1532 NZ LYS A 102 -20.731 0.542 -6.757 1.00 0.00 N ATOM 0 H LYS A 102 -16.439 4.815 -3.622 1.00 0.00 H new ATOM 0 HA LYS A 102 -17.430 2.080 -3.333 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -18.491 4.292 -4.486 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -17.639 3.648 -5.876 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -19.910 2.421 -4.317 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -19.789 2.712 -6.041 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -17.983 0.973 -6.179 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -18.188 0.653 -4.468 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -19.426 -0.940 -5.989 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -20.427 -0.160 -4.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -21.162 -0.255 -7.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -21.479 1.128 -6.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -20.174 1.117 -7.420 1.00 0.00 H new