USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 581 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 88 HIS :FLIP no HD1:sc= -2.09 F(o=-3.3,f=-2.5) USER MOD Set 1.2: A 89 ASN :FLIP amide:sc= -0.371 F(o=-5.6,f=-2.5) USER MOD Set 2.1: A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 72 ASN : amide:sc= -0.0104 K(o=-0.01,f=-1.9!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 14 GLN :FLIP amide:sc= -2.96 F(o=-4.5!,f=-3) USER MOD Single : A 15 MET CE :methyl -129:sc= -5.61! (180deg=-12.5!) USER MOD Single : A 20 MET CE :methyl -147:sc= -6! (180deg=-8.45!) USER MOD Single : A 22 ASN : amide:sc= -0.23 X(o=-0.23,f=-0.23) USER MOD Single : A 23 HIS : no HD1:sc= -1.16 K(o=-1.2,f=-2.1) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 162:sc= -0.363 (180deg=-1.37) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN : amide:sc= -0.0194 X(o=-0.019,f=-0.49) USER MOD Single : A 53 MET CE :methyl -113:sc= -1.65 (180deg=-3.47!) USER MOD Single : A 54 GLN : amide:sc= -0.0414 X(o=-0.041,f=-0.52) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.0264 K(o=-0.026,f=-0.59) USER MOD Single : A 61 LYS NZ :NH3+ -158:sc= 0.00497 (180deg=0) USER MOD Single : A 63 MET CE :methyl 180:sc= -5.78! (180deg=-5.78!) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl -123:sc= -6.58! (180deg=-16.8!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl -175:sc= -4.73! (180deg=-4.86!) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 MET CE :methyl 171:sc= -3.61 (180deg=-4.23) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl -170:sc= -0.0162 (180deg=-0.214) USER MOD Single : A 95 ASN : amide:sc= 1.05 K(o=1.1,f=-0.11) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0.306 USER MOD Single : A 99 GLN : amide:sc= -0.2 K(o=-0.2,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 145 N CYS A 11 6.309 -9.234 -7.057 1.00 0.00 N ATOM 146 CA CYS A 11 5.119 -8.660 -6.460 1.00 0.00 C ATOM 147 C CYS A 11 5.093 -7.143 -6.499 1.00 0.00 C ATOM 148 O CYS A 11 4.312 -6.571 -7.227 1.00 0.00 O ATOM 149 CB CYS A 11 4.947 -9.111 -5.025 1.00 0.00 C ATOM 150 SG CYS A 11 4.961 -10.878 -4.670 1.00 0.00 S ATOM 0 HA CYS A 11 4.293 -9.026 -7.071 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.738 -8.648 -4.435 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.002 -8.708 -4.662 1.00 0.00 H new ATOM 155 N TYR A 12 5.955 -6.479 -5.746 1.00 0.00 N ATOM 156 CA TYR A 12 6.162 -5.032 -5.824 1.00 0.00 C ATOM 157 C TYR A 12 6.249 -4.469 -7.244 1.00 0.00 C ATOM 158 O TYR A 12 5.585 -3.496 -7.570 1.00 0.00 O ATOM 159 CB TYR A 12 7.478 -4.745 -5.145 1.00 0.00 C ATOM 160 CG TYR A 12 8.024 -3.365 -5.423 1.00 0.00 C ATOM 161 CD1 TYR A 12 7.262 -2.227 -5.110 1.00 0.00 C ATOM 162 CD2 TYR A 12 9.267 -3.223 -6.071 1.00 0.00 C ATOM 163 CE1 TYR A 12 7.808 -0.960 -5.346 1.00 0.00 C ATOM 164 CE2 TYR A 12 9.763 -1.939 -6.367 1.00 0.00 C ATOM 165 CZ TYR A 12 9.031 -0.799 -6.009 1.00 0.00 C ATOM 166 OH TYR A 12 9.539 0.448 -6.231 1.00 0.00 O ATOM 0 H TYR A 12 6.544 -6.934 -5.049 1.00 0.00 H new ATOM 0 HA TYR A 12 5.297 -4.560 -5.358 1.00 0.00 H new ATOM 0 HB2 TYR A 12 7.354 -4.865 -4.069 1.00 0.00 H new ATOM 0 HB3 TYR A 12 8.210 -5.486 -5.466 1.00 0.00 H new ATOM 0 HD1 TYR A 12 6.271 -2.328 -4.694 1.00 0.00 H new ATOM 0 HD2 TYR A 12 9.839 -4.099 -6.340 1.00 0.00 H new ATOM 0 HE1 TYR A 12 7.273 -0.085 -5.008 1.00 0.00 H new ATOM 0 HE2 TYR A 12 10.712 -1.832 -6.872 1.00 0.00 H new ATOM 0 HH TYR A 12 10.395 0.373 -6.702 1.00 0.00 H new ATOM 176 N GLN A 13 7.040 -5.125 -8.086 1.00 0.00 N ATOM 177 CA GLN A 13 7.111 -4.746 -9.494 1.00 0.00 C ATOM 178 C GLN A 13 5.743 -4.848 -10.204 1.00 0.00 C ATOM 179 O GLN A 13 5.410 -4.047 -11.059 1.00 0.00 O ATOM 180 CB GLN A 13 8.089 -5.683 -10.200 1.00 0.00 C ATOM 181 CG GLN A 13 8.186 -5.318 -11.690 1.00 0.00 C ATOM 182 CD GLN A 13 9.010 -4.066 -11.955 1.00 0.00 C ATOM 183 OE1 GLN A 13 9.786 -3.615 -11.131 1.00 0.00 O ATOM 184 NE2 GLN A 13 9.027 -3.612 -13.188 1.00 0.00 N ATOM 0 H GLN A 13 7.634 -5.912 -7.824 1.00 0.00 H new ATOM 0 HA GLN A 13 7.436 -3.707 -9.541 1.00 0.00 H new ATOM 0 HB2 GLN A 13 9.072 -5.612 -9.735 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.758 -6.716 -10.091 1.00 0.00 H new ATOM 0 HG2 GLN A 13 8.626 -6.155 -12.233 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.181 -5.173 -12.087 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.378 -3.988 -13.879 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.689 -2.883 -13.454 1.00 0.00 H new ATOM 193 N GLN A 14 4.943 -5.864 -9.924 1.00 0.00 N ATOM 194 CA GLN A 14 3.590 -5.932 -10.482 1.00 0.00 C ATOM 195 C GLN A 14 2.641 -4.915 -9.820 1.00 0.00 C ATOM 196 O GLN A 14 1.565 -4.610 -10.320 1.00 0.00 O ATOM 197 CB GLN A 14 3.099 -7.378 -10.319 1.00 0.00 C ATOM 198 CG GLN A 14 2.089 -7.557 -9.190 1.00 0.00 C ATOM 199 CD GLN A 14 1.948 -9.002 -8.782 1.00 0.00 C ATOM 200 OE1 GLN A 14 2.127 -9.316 -7.521 1.00 0.00 O flip ATOM 201 NE2 GLN A 14 1.612 -9.862 -9.550 1.00 0.00 N flip ATOM 0 H GLN A 14 5.197 -6.647 -9.322 1.00 0.00 H new ATOM 0 HA GLN A 14 3.604 -5.661 -11.538 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.647 -7.707 -11.255 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.956 -8.025 -10.134 1.00 0.00 H new ATOM 0 HG2 GLN A 14 2.400 -6.966 -8.329 1.00 0.00 H new ATOM 0 HG3 GLN A 14 1.119 -7.173 -9.507 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.468 -9.638 -10.535 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.471 -10.816 -9.218 1.00 0.00 H new ATOM 210 N MET A 15 2.996 -4.464 -8.620 1.00 0.00 N ATOM 211 CA MET A 15 2.215 -3.553 -7.811 1.00 0.00 C ATOM 212 C MET A 15 2.159 -2.226 -8.485 1.00 0.00 C ATOM 213 O MET A 15 1.049 -1.747 -8.565 1.00 0.00 O ATOM 214 CB MET A 15 2.814 -3.264 -6.443 1.00 0.00 C ATOM 215 CG MET A 15 1.758 -3.390 -5.369 1.00 0.00 C ATOM 216 SD MET A 15 2.036 -4.879 -4.443 1.00 0.00 S ATOM 217 CE MET A 15 3.181 -4.116 -3.268 1.00 0.00 C ATOM 0 H MET A 15 3.871 -4.738 -8.173 1.00 0.00 H new ATOM 0 HA MET A 15 1.248 -4.040 -7.690 1.00 0.00 H new ATOM 0 HB2 MET A 15 3.631 -3.958 -6.242 1.00 0.00 H new ATOM 0 HB3 MET A 15 3.238 -2.260 -6.429 1.00 0.00 H new ATOM 0 HG2 MET A 15 1.792 -2.525 -4.707 1.00 0.00 H new ATOM 0 HG3 MET A 15 0.766 -3.408 -5.819 1.00 0.00 H new ATOM 0 HE1 MET A 15 4.091 -4.713 -3.207 1.00 0.00 H new ATOM 0 HE2 MET A 15 3.429 -3.109 -3.603 1.00 0.00 H new ATOM 0 HE3 MET A 15 2.713 -4.066 -2.285 1.00 0.00 H new ATOM 227 N GLU A 16 3.279 -1.643 -8.917 1.00 0.00 N ATOM 228 CA GLU A 16 3.266 -0.370 -9.676 1.00 0.00 C ATOM 229 C GLU A 16 2.339 -0.428 -10.903 1.00 0.00 C ATOM 230 O GLU A 16 1.678 0.542 -11.257 1.00 0.00 O ATOM 231 CB GLU A 16 4.688 -0.019 -10.143 1.00 0.00 C ATOM 232 CG GLU A 16 5.415 -1.213 -10.739 1.00 0.00 C ATOM 233 CD GLU A 16 6.647 -0.843 -11.572 1.00 0.00 C ATOM 234 OE1 GLU A 16 7.697 -0.525 -10.971 1.00 0.00 O ATOM 235 OE2 GLU A 16 6.585 -0.958 -12.820 1.00 0.00 O ATOM 0 H GLU A 16 4.212 -2.025 -8.759 1.00 0.00 H new ATOM 0 HA GLU A 16 2.886 0.396 -9.000 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.637 0.779 -10.884 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.260 0.366 -9.299 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.722 -1.878 -9.932 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.720 -1.772 -11.366 1.00 0.00 H new ATOM 242 N GLU A 17 2.218 -1.606 -11.515 1.00 0.00 N ATOM 243 CA GLU A 17 1.323 -1.826 -12.649 1.00 0.00 C ATOM 244 C GLU A 17 -0.146 -1.903 -12.212 1.00 0.00 C ATOM 245 O GLU A 17 -1.058 -1.525 -12.953 1.00 0.00 O ATOM 246 CB GLU A 17 1.699 -3.132 -13.358 1.00 0.00 C ATOM 247 CG GLU A 17 1.499 -2.967 -14.867 1.00 0.00 C ATOM 248 CD GLU A 17 1.087 -4.288 -15.540 1.00 0.00 C ATOM 249 OE1 GLU A 17 1.807 -5.299 -15.365 1.00 0.00 O ATOM 250 OE2 GLU A 17 0.063 -4.288 -16.267 1.00 0.00 O ATOM 0 H GLU A 17 2.740 -2.437 -11.237 1.00 0.00 H new ATOM 0 HA GLU A 17 1.435 -0.978 -13.324 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.736 -3.390 -13.143 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.084 -3.951 -12.986 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.735 -2.212 -15.051 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.422 -2.603 -15.318 1.00 0.00 H new ATOM 257 N ALA A 18 -0.389 -2.343 -10.977 1.00 0.00 N ATOM 258 CA ALA A 18 -1.715 -2.423 -10.402 1.00 0.00 C ATOM 259 C ALA A 18 -1.754 -1.700 -9.064 1.00 0.00 C ATOM 260 O ALA A 18 -2.171 -2.301 -8.073 1.00 0.00 O ATOM 261 CB ALA A 18 -2.080 -3.907 -10.260 1.00 0.00 C ATOM 0 H ALA A 18 0.348 -2.657 -10.345 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.446 -1.934 -11.046 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.077 -3.997 -9.828 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.066 -4.381 -11.242 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.357 -4.399 -9.609 1.00 0.00 H new ATOM 267 N GLU A 19 -1.288 -0.449 -9.015 1.00 0.00 N ATOM 268 CA GLU A 19 -1.138 0.403 -7.825 1.00 0.00 C ATOM 269 C GLU A 19 -2.379 0.281 -6.940 1.00 0.00 C ATOM 270 O GLU A 19 -3.436 0.902 -7.083 1.00 0.00 O ATOM 271 CB GLU A 19 -0.848 1.860 -8.206 1.00 0.00 C ATOM 272 CG GLU A 19 -1.401 2.223 -9.594 1.00 0.00 C ATOM 273 CD GLU A 19 -1.707 3.715 -9.732 1.00 0.00 C ATOM 274 OE1 GLU A 19 -0.855 4.563 -9.394 1.00 0.00 O ATOM 275 OE2 GLU A 19 -2.891 4.003 -10.022 1.00 0.00 O ATOM 0 H GLU A 19 -0.984 0.031 -9.862 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.276 0.056 -7.255 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.285 2.522 -7.459 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.229 2.029 -8.191 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.679 1.932 -10.357 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.310 1.651 -9.780 1.00 0.00 H new ATOM 282 N MET A 20 -2.335 -0.685 -6.047 1.00 0.00 N ATOM 283 CA MET A 20 -3.538 -1.034 -5.298 1.00 0.00 C ATOM 284 C MET A 20 -3.701 -0.046 -4.157 1.00 0.00 C ATOM 285 O MET A 20 -4.806 0.263 -3.673 1.00 0.00 O ATOM 286 CB MET A 20 -3.366 -2.431 -4.765 1.00 0.00 C ATOM 287 CG MET A 20 -2.172 -2.575 -3.803 1.00 0.00 C ATOM 288 SD MET A 20 -2.558 -1.986 -2.121 1.00 0.00 S ATOM 289 CE MET A 20 -1.885 -3.310 -1.156 1.00 0.00 C ATOM 0 H MET A 20 -1.506 -1.234 -5.821 1.00 0.00 H new ATOM 0 HA MET A 20 -4.425 -0.993 -5.930 1.00 0.00 H new ATOM 0 HB2 MET A 20 -4.278 -2.730 -4.248 1.00 0.00 H new ATOM 0 HB3 MET A 20 -3.234 -3.118 -5.601 1.00 0.00 H new ATOM 0 HG2 MET A 20 -1.870 -3.621 -3.758 1.00 0.00 H new ATOM 0 HG3 MET A 20 -1.323 -2.015 -4.195 1.00 0.00 H new ATOM 0 HE1 MET A 20 -2.485 -3.446 -0.256 1.00 0.00 H new ATOM 0 HE2 MET A 20 -1.896 -4.229 -1.742 1.00 0.00 H new ATOM 0 HE3 MET A 20 -0.859 -3.071 -0.876 1.00 0.00 H new ATOM 299 N LEU A 21 -2.543 0.507 -3.777 1.00 0.00 N ATOM 300 CA LEU A 21 -2.467 1.516 -2.782 1.00 0.00 C ATOM 301 C LEU A 21 -2.888 2.864 -3.373 1.00 0.00 C ATOM 302 O LEU A 21 -3.117 3.828 -2.659 1.00 0.00 O ATOM 303 CB LEU A 21 -1.064 1.546 -2.149 1.00 0.00 C ATOM 304 CG LEU A 21 -1.080 1.601 -0.616 1.00 0.00 C ATOM 305 CD1 LEU A 21 0.048 2.462 -0.062 1.00 0.00 C ATOM 306 CD2 LEU A 21 -2.373 1.987 0.098 1.00 0.00 C ATOM 0 H LEU A 21 -1.639 0.246 -4.171 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.163 1.290 -1.974 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.513 0.661 -2.466 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.522 2.412 -2.529 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.950 0.543 -0.389 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.003 2.472 1.027 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.007 2.051 -0.377 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.052 3.480 -0.439 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.210 1.977 1.176 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.676 2.986 -0.214 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.157 1.274 -0.157 1.00 0.00 H new ATOM 318 N ASN A 22 -3.222 2.910 -4.654 1.00 0.00 N ATOM 319 CA ASN A 22 -3.816 4.112 -5.242 1.00 0.00 C ATOM 320 C ASN A 22 -5.308 4.272 -4.866 1.00 0.00 C ATOM 321 O ASN A 22 -6.014 5.191 -5.261 1.00 0.00 O ATOM 322 CB ASN A 22 -3.554 4.064 -6.748 1.00 0.00 C ATOM 323 CG ASN A 22 -4.184 5.221 -7.463 1.00 0.00 C ATOM 324 OD1 ASN A 22 -5.147 5.086 -8.198 1.00 0.00 O ATOM 325 ND2 ASN A 22 -3.863 6.396 -6.992 1.00 0.00 N ATOM 0 H ASN A 22 -3.095 2.137 -5.307 1.00 0.00 H new ATOM 0 HA ASN A 22 -3.352 5.010 -4.834 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.479 4.067 -6.930 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.943 3.131 -7.155 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.421 7.214 -7.238 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.055 6.496 -6.378 1.00 0.00 H new ATOM 332 N HIS A 23 -5.850 3.365 -4.060 1.00 0.00 N ATOM 333 CA HIS A 23 -7.283 3.363 -3.795 1.00 0.00 C ATOM 334 C HIS A 23 -7.498 3.355 -2.313 1.00 0.00 C ATOM 335 O HIS A 23 -8.058 4.304 -1.775 1.00 0.00 O ATOM 336 CB HIS A 23 -7.967 2.189 -4.479 1.00 0.00 C ATOM 337 CG HIS A 23 -7.654 1.984 -5.951 1.00 0.00 C ATOM 338 ND1 HIS A 23 -8.577 2.003 -6.978 1.00 0.00 N ATOM 339 CD2 HIS A 23 -6.425 1.720 -6.503 1.00 0.00 C ATOM 340 CE1 HIS A 23 -7.912 1.759 -8.130 1.00 0.00 C ATOM 341 NE2 HIS A 23 -6.595 1.609 -7.869 1.00 0.00 N ATOM 0 H HIS A 23 -5.326 2.631 -3.584 1.00 0.00 H new ATOM 0 HA HIS A 23 -7.736 4.263 -4.211 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.698 1.279 -3.943 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -9.045 2.314 -4.374 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -5.494 1.618 -5.966 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -8.364 1.694 -9.109 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -5.860 1.444 -8.556 1.00 0.00 H new ATOM 350 N CYS A 24 -7.014 2.293 -1.667 1.00 0.00 N ATOM 351 CA CYS A 24 -7.008 2.242 -0.221 1.00 0.00 C ATOM 352 C CYS A 24 -6.034 3.234 0.365 1.00 0.00 C ATOM 353 O CYS A 24 -6.240 3.569 1.511 1.00 0.00 O ATOM 354 CB CYS A 24 -6.665 0.843 0.278 1.00 0.00 C ATOM 355 SG CYS A 24 -8.188 0.014 0.769 1.00 0.00 S ATOM 0 H CYS A 24 -6.626 1.468 -2.125 1.00 0.00 H new ATOM 0 HA CYS A 24 -8.014 2.503 0.108 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -6.162 0.276 -0.505 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -5.978 0.901 1.122 1.00 0.00 H new ATOM 360 N GLY A 25 -5.062 3.737 -0.399 1.00 0.00 N ATOM 361 CA GLY A 25 -4.051 4.686 0.049 1.00 0.00 C ATOM 362 C GLY A 25 -4.560 6.061 -0.082 1.00 0.00 C ATOM 363 O GLY A 25 -4.537 6.719 0.933 1.00 0.00 O ATOM 0 H GLY A 25 -4.957 3.483 -1.381 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.786 4.485 1.087 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.142 4.568 -0.541 1.00 0.00 H new ATOM 367 N MET A 26 -5.085 6.464 -1.246 1.00 0.00 N ATOM 368 CA MET A 26 -5.643 7.800 -1.437 1.00 0.00 C ATOM 369 C MET A 26 -6.640 8.160 -0.363 1.00 0.00 C ATOM 370 O MET A 26 -6.654 9.297 0.037 1.00 0.00 O ATOM 371 CB MET A 26 -6.421 7.881 -2.749 1.00 0.00 C ATOM 372 CG MET A 26 -6.093 9.155 -3.518 1.00 0.00 C ATOM 373 SD MET A 26 -5.078 8.767 -4.951 1.00 0.00 S ATOM 374 CE MET A 26 -5.453 10.195 -5.986 1.00 0.00 C ATOM 0 H MET A 26 -5.133 5.873 -2.076 1.00 0.00 H new ATOM 0 HA MET A 26 -4.788 8.476 -1.419 1.00 0.00 H new ATOM 0 HB2 MET A 26 -6.187 7.013 -3.365 1.00 0.00 H new ATOM 0 HB3 MET A 26 -7.490 7.846 -2.541 1.00 0.00 H new ATOM 0 HG2 MET A 26 -7.014 9.644 -3.836 1.00 0.00 H new ATOM 0 HG3 MET A 26 -5.567 9.856 -2.869 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.904 10.119 -6.924 1.00 0.00 H new ATOM 0 HE2 MET A 26 -6.523 10.223 -6.193 1.00 0.00 H new ATOM 0 HE3 MET A 26 -5.160 11.108 -5.467 1.00 0.00 H new ATOM 384 N TYR A 27 -7.462 7.228 0.109 1.00 0.00 N ATOM 385 CA TYR A 27 -8.356 7.419 1.255 1.00 0.00 C ATOM 386 C TYR A 27 -7.665 7.847 2.548 1.00 0.00 C ATOM 387 O TYR A 27 -8.140 8.725 3.259 1.00 0.00 O ATOM 388 CB TYR A 27 -9.039 6.081 1.467 1.00 0.00 C ATOM 389 CG TYR A 27 -10.021 6.045 2.605 1.00 0.00 C ATOM 390 CD1 TYR A 27 -11.106 6.937 2.618 1.00 0.00 C ATOM 391 CD2 TYR A 27 -9.821 5.138 3.660 1.00 0.00 C ATOM 392 CE1 TYR A 27 -11.979 6.929 3.712 1.00 0.00 C ATOM 393 CE2 TYR A 27 -10.693 5.135 4.759 1.00 0.00 C ATOM 394 CZ TYR A 27 -11.759 6.041 4.796 1.00 0.00 C ATOM 395 OH TYR A 27 -12.517 6.069 5.918 1.00 0.00 O ATOM 0 H TYR A 27 -7.530 6.297 -0.301 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.040 8.237 1.026 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -9.558 5.805 0.549 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.275 5.323 1.641 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -11.264 7.619 1.796 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -8.995 4.443 3.625 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -12.824 7.602 3.731 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -10.543 4.439 5.571 1.00 0.00 H new ATOM 0 HH TYR A 27 -12.205 5.379 6.541 1.00 0.00 H new ATOM 405 N LEU A 28 -6.509 7.259 2.807 1.00 0.00 N ATOM 406 CA LEU A 28 -5.686 7.536 3.971 1.00 0.00 C ATOM 407 C LEU A 28 -4.767 8.705 3.680 1.00 0.00 C ATOM 408 O LEU A 28 -4.489 9.464 4.590 1.00 0.00 O ATOM 409 CB LEU A 28 -4.879 6.296 4.383 1.00 0.00 C ATOM 410 CG LEU A 28 -5.615 4.958 4.199 1.00 0.00 C ATOM 411 CD1 LEU A 28 -4.611 3.820 4.012 1.00 0.00 C ATOM 412 CD2 LEU A 28 -6.628 4.699 5.294 1.00 0.00 C ATOM 0 H LEU A 28 -6.105 6.553 2.192 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.337 7.797 4.806 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.957 6.270 3.802 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.594 6.397 5.430 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.206 5.016 3.285 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.147 2.880 3.883 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.001 4.014 3.130 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.968 3.754 4.890 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.119 3.742 5.117 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.122 4.674 6.259 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.373 5.494 5.296 1.00 0.00 H new ATOM 424 N MET A 29 -4.391 8.924 2.413 1.00 0.00 N ATOM 425 CA MET A 29 -3.567 10.008 1.898 1.00 0.00 C ATOM 426 C MET A 29 -4.387 11.240 1.523 1.00 0.00 C ATOM 427 O MET A 29 -3.858 12.264 1.114 1.00 0.00 O ATOM 428 CB MET A 29 -2.679 9.506 0.747 1.00 0.00 C ATOM 429 CG MET A 29 -1.231 9.981 0.886 1.00 0.00 C ATOM 430 SD MET A 29 -0.543 10.736 -0.602 1.00 0.00 S ATOM 431 CE MET A 29 -1.440 12.303 -0.549 1.00 0.00 C ATOM 0 H MET A 29 -4.683 8.292 1.667 1.00 0.00 H new ATOM 0 HA MET A 29 -2.908 10.339 2.701 1.00 0.00 H new ATOM 0 HB2 MET A 29 -2.702 8.417 0.721 1.00 0.00 H new ATOM 0 HB3 MET A 29 -3.085 9.856 -0.202 1.00 0.00 H new ATOM 0 HG2 MET A 29 -1.175 10.701 1.702 1.00 0.00 H new ATOM 0 HG3 MET A 29 -0.609 9.131 1.168 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.937 13.032 -1.185 1.00 0.00 H new ATOM 0 HE2 MET A 29 -2.459 12.151 -0.906 1.00 0.00 H new ATOM 0 HE3 MET A 29 -1.466 12.673 0.476 1.00 0.00 H new ATOM 441 N LYS A 30 -5.696 11.181 1.711 1.00 0.00 N ATOM 442 CA LYS A 30 -6.592 12.260 1.321 1.00 0.00 C ATOM 443 C LYS A 30 -6.587 13.317 2.388 1.00 0.00 C ATOM 444 O LYS A 30 -6.719 14.481 2.050 1.00 0.00 O ATOM 445 CB LYS A 30 -8.010 11.716 1.106 1.00 0.00 C ATOM 446 CG LYS A 30 -8.420 11.881 -0.366 1.00 0.00 C ATOM 447 CD LYS A 30 -9.308 10.731 -0.854 1.00 0.00 C ATOM 448 CE LYS A 30 -10.551 11.253 -1.581 1.00 0.00 C ATOM 449 NZ LYS A 30 -11.788 10.931 -0.814 1.00 0.00 N ATOM 0 H LYS A 30 -6.168 10.384 2.138 1.00 0.00 H new ATOM 0 HA LYS A 30 -6.250 12.699 0.383 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.051 10.664 1.388 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.713 12.246 1.749 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.951 12.825 -0.490 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.525 11.935 -0.986 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.737 10.087 -1.523 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.612 10.119 -0.005 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.472 12.332 -1.716 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.609 10.810 -2.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -12.618 11.294 -1.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.871 9.900 -0.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.739 11.374 0.126 1.00 0.00 H new ATOM 463 N ASN A 31 -6.344 12.914 3.634 1.00 0.00 N ATOM 464 CA ASN A 31 -6.119 13.837 4.737 1.00 0.00 C ATOM 465 C ASN A 31 -4.645 14.100 4.997 1.00 0.00 C ATOM 466 O ASN A 31 -4.337 15.007 5.760 1.00 0.00 O ATOM 467 CB ASN A 31 -6.736 13.227 5.998 1.00 0.00 C ATOM 468 CG ASN A 31 -8.142 13.722 6.182 1.00 0.00 C ATOM 469 OD1 ASN A 31 -9.108 13.085 5.817 1.00 0.00 O ATOM 470 ND2 ASN A 31 -8.293 14.898 6.741 1.00 0.00 N ATOM 0 H ASN A 31 -6.298 11.932 3.905 1.00 0.00 H new ATOM 0 HA ASN A 31 -6.576 14.791 4.474 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.733 12.140 5.923 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.134 13.488 6.869 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -9.228 15.284 6.872 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -7.476 15.427 7.045 1.00 0.00 H new ATOM 758 N GLN A 49 -13.266 -1.410 -1.688 1.00 0.00 N ATOM 759 CA GLN A 49 -13.574 -2.411 -2.723 1.00 0.00 C ATOM 760 C GLN A 49 -12.584 -2.390 -3.867 1.00 0.00 C ATOM 761 O GLN A 49 -12.151 -3.450 -4.265 1.00 0.00 O ATOM 762 CB GLN A 49 -14.948 -2.144 -3.313 1.00 0.00 C ATOM 763 CG GLN A 49 -16.027 -2.649 -2.358 1.00 0.00 C ATOM 764 CD GLN A 49 -17.373 -2.017 -2.651 1.00 0.00 C ATOM 765 OE1 GLN A 49 -17.481 -0.827 -2.858 1.00 0.00 O ATOM 766 NE2 GLN A 49 -18.428 -2.790 -2.667 1.00 0.00 N ATOM 0 HA GLN A 49 -13.528 -3.382 -2.230 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -15.077 -1.076 -3.490 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -15.042 -2.641 -4.279 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -16.108 -3.733 -2.440 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -15.737 -2.428 -1.331 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -18.330 -3.790 -2.492 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -19.349 -2.393 -2.854 1.00 0.00 H new ATOM 775 N LEU A 50 -12.130 -1.219 -4.306 1.00 0.00 N ATOM 776 CA LEU A 50 -11.121 -1.060 -5.340 1.00 0.00 C ATOM 777 C LEU A 50 -9.742 -1.590 -4.929 1.00 0.00 C ATOM 778 O LEU A 50 -9.194 -2.442 -5.604 1.00 0.00 O ATOM 779 CB LEU A 50 -10.966 0.404 -5.693 1.00 0.00 C ATOM 780 CG LEU A 50 -12.207 1.299 -5.536 1.00 0.00 C ATOM 781 CD1 LEU A 50 -12.159 2.048 -4.179 1.00 0.00 C ATOM 782 CD2 LEU A 50 -12.322 2.271 -6.711 1.00 0.00 C ATOM 0 H LEU A 50 -12.467 -0.329 -3.938 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.472 -1.644 -6.191 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.170 0.818 -5.074 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.631 0.468 -6.728 1.00 0.00 H new ATOM 0 HG LEU A 50 -13.098 0.672 -5.541 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -13.043 2.678 -4.080 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.136 1.324 -3.364 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -11.264 2.669 -4.138 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -13.206 2.895 -6.582 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.434 2.902 -6.749 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -12.408 1.709 -7.641 1.00 0.00 H new ATOM 794 N CYS A 51 -9.172 -1.112 -3.818 1.00 0.00 N ATOM 795 CA CYS A 51 -7.961 -1.749 -3.284 1.00 0.00 C ATOM 796 C CYS A 51 -8.103 -3.262 -3.043 1.00 0.00 C ATOM 797 O CYS A 51 -7.186 -4.014 -3.354 1.00 0.00 O ATOM 798 CB CYS A 51 -7.566 -1.051 -1.994 1.00 0.00 C ATOM 799 SG CYS A 51 -8.293 -1.600 -0.430 1.00 0.00 S ATOM 0 H CYS A 51 -9.514 -0.313 -3.285 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.185 -1.643 -4.043 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -6.483 -1.130 -1.897 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -7.799 0.007 -2.110 1.00 0.00 H new ATOM 804 N CYS A 52 -9.270 -3.690 -2.553 1.00 0.00 N ATOM 805 CA CYS A 52 -9.615 -5.090 -2.348 1.00 0.00 C ATOM 806 C CYS A 52 -9.666 -5.824 -3.703 1.00 0.00 C ATOM 807 O CYS A 52 -9.274 -6.979 -3.799 1.00 0.00 O ATOM 808 CB CYS A 52 -10.965 -5.175 -1.612 1.00 0.00 C ATOM 809 SG CYS A 52 -11.166 -6.634 -0.572 1.00 0.00 S ATOM 0 H CYS A 52 -10.017 -3.051 -2.282 1.00 0.00 H new ATOM 0 HA CYS A 52 -8.855 -5.576 -1.736 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -11.082 -4.285 -0.993 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -11.767 -5.158 -2.350 1.00 0.00 H new ATOM 814 N MET A 53 -10.071 -5.116 -4.767 1.00 0.00 N ATOM 815 CA MET A 53 -10.186 -5.576 -6.140 1.00 0.00 C ATOM 816 C MET A 53 -8.816 -5.804 -6.733 1.00 0.00 C ATOM 817 O MET A 53 -8.476 -6.929 -7.056 1.00 0.00 O ATOM 818 CB MET A 53 -10.924 -4.570 -7.049 1.00 0.00 C ATOM 819 CG MET A 53 -11.316 -5.239 -8.352 1.00 0.00 C ATOM 820 SD MET A 53 -12.456 -6.621 -8.103 1.00 0.00 S ATOM 821 CE MET A 53 -11.288 -7.985 -8.339 1.00 0.00 C ATOM 0 H MET A 53 -10.344 -4.138 -4.673 1.00 0.00 H new ATOM 0 HA MET A 53 -10.761 -6.501 -6.099 1.00 0.00 H new ATOM 0 HB2 MET A 53 -11.813 -4.193 -6.542 1.00 0.00 H new ATOM 0 HB3 MET A 53 -10.284 -3.711 -7.250 1.00 0.00 H new ATOM 0 HG2 MET A 53 -11.779 -4.504 -9.010 1.00 0.00 H new ATOM 0 HG3 MET A 53 -10.419 -5.598 -8.857 1.00 0.00 H new ATOM 0 HE1 MET A 53 -11.543 -8.529 -9.248 1.00 0.00 H new ATOM 0 HE2 MET A 53 -10.277 -7.587 -8.426 1.00 0.00 H new ATOM 0 HE3 MET A 53 -11.340 -8.660 -7.485 1.00 0.00 H new ATOM 831 N GLN A 54 -8.005 -4.758 -6.869 1.00 0.00 N ATOM 832 CA GLN A 54 -6.655 -4.901 -7.401 1.00 0.00 C ATOM 833 C GLN A 54 -5.868 -5.974 -6.659 1.00 0.00 C ATOM 834 O GLN A 54 -5.105 -6.706 -7.269 1.00 0.00 O ATOM 835 CB GLN A 54 -5.925 -3.566 -7.283 1.00 0.00 C ATOM 836 CG GLN A 54 -5.237 -3.247 -8.599 1.00 0.00 C ATOM 837 CD GLN A 54 -6.208 -2.809 -9.685 1.00 0.00 C ATOM 838 OE1 GLN A 54 -7.190 -2.123 -9.439 1.00 0.00 O ATOM 839 NE2 GLN A 54 -5.980 -3.198 -10.917 1.00 0.00 N ATOM 0 H GLN A 54 -8.260 -3.803 -6.618 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.733 -5.203 -8.445 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.630 -2.775 -7.028 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.191 -3.610 -6.478 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -4.502 -2.459 -8.437 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -4.691 -4.127 -8.940 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -5.162 -3.770 -11.128 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.620 -2.928 -11.664 1.00 0.00 H new ATOM 848 N LEU A 55 -6.145 -6.133 -5.369 1.00 0.00 N ATOM 849 CA LEU A 55 -5.543 -7.165 -4.552 1.00 0.00 C ATOM 850 C LEU A 55 -6.055 -8.558 -4.856 1.00 0.00 C ATOM 851 O LEU A 55 -5.260 -9.475 -4.939 1.00 0.00 O ATOM 852 CB LEU A 55 -5.837 -6.851 -3.101 1.00 0.00 C ATOM 853 CG LEU A 55 -4.916 -5.869 -2.380 1.00 0.00 C ATOM 854 CD1 LEU A 55 -3.874 -6.505 -1.455 1.00 0.00 C ATOM 855 CD2 LEU A 55 -4.165 -5.014 -3.332 1.00 0.00 C ATOM 0 H LEU A 55 -6.801 -5.540 -4.862 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.475 -7.166 -4.770 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.853 -6.460 -3.043 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.824 -7.790 -2.547 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.613 -5.293 -1.771 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.272 -5.723 -0.993 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.379 -7.080 -0.679 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.228 -7.165 -2.034 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.522 -4.330 -2.778 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.554 -5.642 -3.980 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.867 -4.441 -3.938 1.00 0.00 H new ATOM 867 N LYS A 56 -7.342 -8.710 -5.121 1.00 0.00 N ATOM 868 CA LYS A 56 -7.854 -9.956 -5.695 1.00 0.00 C ATOM 869 C LYS A 56 -7.193 -10.292 -7.046 1.00 0.00 C ATOM 870 O LYS A 56 -7.022 -11.462 -7.359 1.00 0.00 O ATOM 871 CB LYS A 56 -9.382 -9.834 -5.816 1.00 0.00 C ATOM 872 CG LYS A 56 -10.035 -11.074 -6.444 1.00 0.00 C ATOM 873 CD LYS A 56 -10.361 -12.096 -5.364 1.00 0.00 C ATOM 874 CE LYS A 56 -10.404 -13.503 -5.967 1.00 0.00 C ATOM 875 NZ LYS A 56 -10.124 -14.520 -4.918 1.00 0.00 N ATOM 0 H LYS A 56 -8.051 -7.996 -4.952 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.603 -10.788 -5.037 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.807 -9.668 -4.826 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.625 -8.958 -6.418 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -10.945 -10.788 -6.972 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.364 -11.514 -7.182 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.611 -12.053 -4.574 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.321 -11.859 -4.906 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.383 -13.687 -6.410 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.670 -13.586 -6.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -10.156 -15.471 -5.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.181 -14.352 -4.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.840 -14.450 -4.167 1.00 0.00 H new ATOM 889 N ASN A 57 -6.880 -9.289 -7.864 1.00 0.00 N ATOM 890 CA ASN A 57 -6.128 -9.527 -9.102 1.00 0.00 C ATOM 891 C ASN A 57 -4.655 -9.873 -8.864 1.00 0.00 C ATOM 892 O ASN A 57 -4.020 -10.408 -9.766 1.00 0.00 O ATOM 893 CB ASN A 57 -6.190 -8.260 -9.976 1.00 0.00 C ATOM 894 CG ASN A 57 -7.070 -8.427 -11.195 1.00 0.00 C ATOM 895 OD1 ASN A 57 -7.254 -9.475 -11.776 1.00 0.00 O ATOM 896 ND2 ASN A 57 -7.717 -7.373 -11.609 1.00 0.00 N ATOM 0 H ASN A 57 -7.130 -8.314 -7.698 1.00 0.00 H new ATOM 0 HA ASN A 57 -6.591 -10.385 -9.590 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -6.562 -7.429 -9.377 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.182 -7.996 -10.296 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -8.356 -7.445 -12.401 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.584 -6.476 -11.141 1.00 0.00 H new ATOM 903 N LEU A 58 -4.103 -9.471 -7.718 1.00 0.00 N ATOM 904 CA LEU A 58 -2.755 -9.812 -7.307 1.00 0.00 C ATOM 905 C LEU A 58 -2.658 -11.294 -6.925 1.00 0.00 C ATOM 906 O LEU A 58 -3.579 -12.095 -7.064 1.00 0.00 O ATOM 907 CB LEU A 58 -2.327 -8.865 -6.151 1.00 0.00 C ATOM 908 CG LEU A 58 -1.765 -7.539 -6.640 1.00 0.00 C ATOM 909 CD1 LEU A 58 -1.639 -6.535 -5.499 1.00 0.00 C ATOM 910 CD2 LEU A 58 -0.375 -7.776 -7.141 1.00 0.00 C ATOM 0 H LEU A 58 -4.596 -8.888 -7.042 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.063 -9.669 -8.137 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.187 -8.673 -5.510 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.578 -9.366 -5.538 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.435 -7.151 -7.407 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.234 -5.598 -5.882 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.622 -6.355 -5.063 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.971 -6.934 -4.736 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.048 -6.837 -7.497 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.241 -8.168 -6.332 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.401 -8.496 -7.959 1.00 0.00 H new ATOM 922 N ASP A 59 -1.503 -11.660 -6.405 1.00 0.00 N ATOM 923 CA ASP A 59 -1.248 -13.038 -6.042 1.00 0.00 C ATOM 924 C ASP A 59 -1.526 -13.154 -4.558 1.00 0.00 C ATOM 925 O ASP A 59 -1.094 -12.301 -3.776 1.00 0.00 O ATOM 926 CB ASP A 59 0.200 -13.428 -6.362 1.00 0.00 C ATOM 927 CG ASP A 59 0.658 -13.229 -7.811 1.00 0.00 C ATOM 928 OD1 ASP A 59 -0.122 -12.728 -8.638 1.00 0.00 O ATOM 929 OD2 ASP A 59 1.854 -13.558 -8.016 1.00 0.00 O ATOM 0 H ASP A 59 -0.728 -11.022 -6.225 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.886 -13.715 -6.610 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.860 -12.852 -5.714 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.336 -14.478 -6.103 1.00 0.00 H new ATOM 934 N GLU A 60 -2.062 -14.293 -4.135 1.00 0.00 N ATOM 935 CA GLU A 60 -2.295 -14.549 -2.710 1.00 0.00 C ATOM 936 C GLU A 60 -0.996 -14.603 -1.909 1.00 0.00 C ATOM 937 O GLU A 60 -0.958 -14.367 -0.703 1.00 0.00 O ATOM 938 CB GLU A 60 -3.049 -15.871 -2.531 1.00 0.00 C ATOM 939 CG GLU A 60 -4.223 -15.725 -1.554 1.00 0.00 C ATOM 940 CD GLU A 60 -5.579 -15.778 -2.300 1.00 0.00 C ATOM 941 OE1 GLU A 60 -5.926 -14.814 -3.018 1.00 0.00 O ATOM 942 OE2 GLU A 60 -6.289 -16.798 -2.167 1.00 0.00 O ATOM 0 H GLU A 60 -2.344 -15.054 -4.752 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.889 -13.718 -2.330 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.420 -16.213 -3.497 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.363 -16.635 -2.165 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.182 -16.521 -0.810 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.137 -14.781 -1.016 1.00 0.00 H new ATOM 949 N LYS A 61 0.111 -14.843 -2.611 1.00 0.00 N ATOM 950 CA LYS A 61 1.441 -14.775 -2.034 1.00 0.00 C ATOM 951 C LYS A 61 2.054 -13.389 -2.114 1.00 0.00 C ATOM 952 O LYS A 61 3.034 -13.173 -1.427 1.00 0.00 O ATOM 953 CB LYS A 61 2.323 -15.784 -2.758 1.00 0.00 C ATOM 954 CG LYS A 61 2.912 -15.267 -4.092 1.00 0.00 C ATOM 955 CD LYS A 61 4.404 -14.913 -3.949 1.00 0.00 C ATOM 956 CE LYS A 61 5.174 -15.385 -5.182 1.00 0.00 C ATOM 957 NZ LYS A 61 5.923 -14.264 -5.794 1.00 0.00 N ATOM 0 H LYS A 61 0.104 -15.091 -3.600 1.00 0.00 H new ATOM 0 HA LYS A 61 1.365 -15.009 -0.972 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.142 -16.073 -2.099 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.740 -16.684 -2.955 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.789 -16.027 -4.864 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.358 -14.387 -4.419 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.521 -13.836 -3.828 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.813 -15.381 -3.054 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.865 -16.180 -4.903 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.481 -15.806 -5.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.124 -14.484 -6.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.354 -13.395 -5.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.818 -14.125 -5.283 1.00 0.00 H new ATOM 971 N CYS A 62 1.558 -12.484 -2.957 1.00 0.00 N ATOM 972 CA CYS A 62 1.913 -11.071 -3.017 1.00 0.00 C ATOM 973 C CYS A 62 0.925 -10.220 -2.197 1.00 0.00 C ATOM 974 O CYS A 62 0.990 -8.998 -2.172 1.00 0.00 O ATOM 975 CB CYS A 62 1.945 -10.646 -4.481 1.00 0.00 C ATOM 976 SG CYS A 62 3.212 -11.477 -5.492 1.00 0.00 S ATOM 0 H CYS A 62 0.858 -12.734 -3.655 1.00 0.00 H new ATOM 0 HA CYS A 62 2.898 -10.914 -2.576 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.966 -10.837 -4.921 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.111 -9.570 -4.528 1.00 0.00 H new ATOM 981 N MET A 63 0.065 -10.821 -1.394 1.00 0.00 N ATOM 982 CA MET A 63 -0.911 -10.082 -0.591 1.00 0.00 C ATOM 983 C MET A 63 -0.479 -10.058 0.859 1.00 0.00 C ATOM 984 O MET A 63 -1.094 -10.649 1.721 1.00 0.00 O ATOM 985 CB MET A 63 -2.252 -10.768 -0.778 1.00 0.00 C ATOM 986 CG MET A 63 -3.049 -10.183 -1.929 1.00 0.00 C ATOM 987 SD MET A 63 -4.086 -11.392 -2.748 1.00 0.00 S ATOM 988 CE MET A 63 -4.835 -12.193 -1.298 1.00 0.00 C ATOM 0 H MET A 63 0.018 -11.833 -1.276 1.00 0.00 H new ATOM 0 HA MET A 63 -0.987 -9.042 -0.908 1.00 0.00 H new ATOM 0 HB2 MET A 63 -2.091 -11.831 -0.955 1.00 0.00 H new ATOM 0 HB3 MET A 63 -2.831 -10.683 0.141 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.673 -9.371 -1.556 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.362 -9.750 -2.656 1.00 0.00 H new ATOM 0 HE1 MET A 63 -5.515 -12.979 -1.627 1.00 0.00 H new ATOM 0 HE2 MET A 63 -4.052 -12.628 -0.677 1.00 0.00 H new ATOM 0 HE3 MET A 63 -5.388 -11.453 -0.719 1.00 0.00 H new ATOM 998 N CYS A 64 0.618 -9.382 1.153 1.00 0.00 N ATOM 999 CA CYS A 64 1.255 -9.387 2.481 1.00 0.00 C ATOM 1000 C CYS A 64 2.687 -8.960 2.358 1.00 0.00 C ATOM 1001 O CYS A 64 3.037 -7.950 2.957 1.00 0.00 O ATOM 1002 CB CYS A 64 1.214 -10.742 3.243 1.00 0.00 C ATOM 1003 SG CYS A 64 2.537 -11.093 4.473 1.00 0.00 S ATOM 0 H CYS A 64 1.108 -8.801 0.472 1.00 0.00 H new ATOM 0 HA CYS A 64 0.661 -8.689 3.072 1.00 0.00 H new ATOM 0 HB2 CYS A 64 0.256 -10.804 3.759 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.229 -11.541 2.502 1.00 0.00 H new ATOM 1008 N PRO A 65 3.498 -9.692 1.579 1.00 0.00 N ATOM 1009 CA PRO A 65 4.895 -9.340 1.409 1.00 0.00 C ATOM 1010 C PRO A 65 4.999 -8.123 0.497 1.00 0.00 C ATOM 1011 O PRO A 65 5.813 -7.239 0.723 1.00 0.00 O ATOM 1012 CB PRO A 65 5.528 -10.585 0.786 1.00 0.00 C ATOM 1013 CG PRO A 65 4.414 -11.413 0.212 1.00 0.00 C ATOM 1014 CD PRO A 65 3.135 -10.851 0.774 1.00 0.00 C ATOM 0 HA PRO A 65 5.398 -9.070 2.338 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.239 -10.306 0.009 1.00 0.00 H new ATOM 0 HB3 PRO A 65 6.081 -11.151 1.536 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.415 -11.364 -0.877 1.00 0.00 H new ATOM 0 HG3 PRO A 65 4.530 -12.462 0.484 1.00 0.00 H new ATOM 0 HD2 PRO A 65 2.454 -10.566 -0.028 1.00 0.00 H new ATOM 0 HD3 PRO A 65 2.620 -11.596 1.380 1.00 0.00 H new ATOM 1022 N ALA A 66 4.114 -8.004 -0.491 1.00 0.00 N ATOM 1023 CA ALA A 66 4.109 -6.867 -1.360 1.00 0.00 C ATOM 1024 C ALA A 66 3.644 -5.649 -0.592 1.00 0.00 C ATOM 1025 O ALA A 66 4.315 -4.645 -0.707 1.00 0.00 O ATOM 1026 CB ALA A 66 3.223 -7.175 -2.546 1.00 0.00 C ATOM 0 H ALA A 66 3.393 -8.696 -0.697 1.00 0.00 H new ATOM 0 HA ALA A 66 5.110 -6.650 -1.732 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.207 -6.319 -3.220 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.612 -8.046 -3.074 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.211 -7.383 -2.200 1.00 0.00 H new ATOM 1032 N ILE A 67 2.589 -5.727 0.226 1.00 0.00 N ATOM 1033 CA ILE A 67 2.071 -4.592 1.007 1.00 0.00 C ATOM 1034 C ILE A 67 3.201 -3.735 1.564 1.00 0.00 C ATOM 1035 O ILE A 67 3.196 -2.537 1.383 1.00 0.00 O ATOM 1036 CB ILE A 67 1.245 -5.090 2.188 1.00 0.00 C ATOM 1037 CG1 ILE A 67 -0.078 -5.702 1.665 1.00 0.00 C ATOM 1038 CG2 ILE A 67 1.094 -3.983 3.269 1.00 0.00 C ATOM 1039 CD1 ILE A 67 -1.221 -4.714 1.724 1.00 0.00 C ATOM 0 H ILE A 67 2.063 -6.589 0.368 1.00 0.00 H new ATOM 0 HA ILE A 67 1.458 -3.997 0.330 1.00 0.00 H new ATOM 0 HB ILE A 67 1.759 -5.897 2.711 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.059 -6.037 0.637 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -0.329 -6.583 2.256 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.501 -4.364 4.100 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.080 -3.691 3.631 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.595 -3.116 2.835 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.129 -5.185 1.348 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.376 -4.399 2.756 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -0.983 -3.845 1.111 1.00 0.00 H new ATOM 1051 N MET A 68 4.176 -4.307 2.265 1.00 0.00 N ATOM 1052 CA MET A 68 5.355 -3.529 2.661 1.00 0.00 C ATOM 1053 C MET A 68 5.895 -2.614 1.564 1.00 0.00 C ATOM 1054 O MET A 68 5.875 -1.396 1.754 1.00 0.00 O ATOM 1055 CB MET A 68 6.424 -4.503 3.107 1.00 0.00 C ATOM 1056 CG MET A 68 7.809 -3.860 3.125 1.00 0.00 C ATOM 1057 SD MET A 68 8.788 -4.378 4.540 1.00 0.00 S ATOM 1058 CE MET A 68 9.781 -2.910 4.775 1.00 0.00 C ATOM 0 H MET A 68 4.180 -5.281 2.566 1.00 0.00 H new ATOM 0 HA MET A 68 5.057 -2.860 3.468 1.00 0.00 H new ATOM 0 HB2 MET A 68 6.183 -4.875 4.103 1.00 0.00 H new ATOM 0 HB3 MET A 68 6.432 -5.364 2.439 1.00 0.00 H new ATOM 0 HG2 MET A 68 8.338 -4.117 2.207 1.00 0.00 H new ATOM 0 HG3 MET A 68 7.703 -2.775 3.138 1.00 0.00 H new ATOM 0 HE1 MET A 68 10.453 -3.057 5.621 1.00 0.00 H new ATOM 0 HE2 MET A 68 10.366 -2.719 3.875 1.00 0.00 H new ATOM 0 HE3 MET A 68 9.130 -2.058 4.972 1.00 0.00 H new ATOM 1068 N MET A 69 6.308 -3.214 0.447 1.00 0.00 N ATOM 1069 CA MET A 69 6.759 -2.518 -0.735 1.00 0.00 C ATOM 1070 C MET A 69 5.749 -1.530 -1.310 1.00 0.00 C ATOM 1071 O MET A 69 6.149 -0.527 -1.888 1.00 0.00 O ATOM 1072 CB MET A 69 7.058 -3.527 -1.829 1.00 0.00 C ATOM 1073 CG MET A 69 8.483 -4.022 -1.742 1.00 0.00 C ATOM 1074 SD MET A 69 9.662 -2.757 -2.271 1.00 0.00 S ATOM 1075 CE MET A 69 10.958 -3.073 -1.068 1.00 0.00 C ATOM 0 H MET A 69 6.335 -4.229 0.348 1.00 0.00 H new ATOM 0 HA MET A 69 7.637 -1.954 -0.420 1.00 0.00 H new ATOM 0 HB2 MET A 69 6.372 -4.370 -1.747 1.00 0.00 H new ATOM 0 HB3 MET A 69 6.888 -3.071 -2.804 1.00 0.00 H new ATOM 0 HG2 MET A 69 8.703 -4.319 -0.717 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.599 -4.910 -2.363 1.00 0.00 H new ATOM 0 HE1 MET A 69 11.785 -2.382 -1.234 1.00 0.00 H new ATOM 0 HE2 MET A 69 10.563 -2.931 -0.062 1.00 0.00 H new ATOM 0 HE3 MET A 69 11.314 -4.097 -1.177 1.00 0.00 H new ATOM 1085 N MET A 70 4.447 -1.753 -1.141 1.00 0.00 N ATOM 1086 CA MET A 70 3.415 -0.805 -1.511 1.00 0.00 C ATOM 1087 C MET A 70 3.654 0.538 -0.859 1.00 0.00 C ATOM 1088 O MET A 70 3.326 1.542 -1.454 1.00 0.00 O ATOM 1089 CB MET A 70 2.049 -1.352 -1.083 1.00 0.00 C ATOM 1090 CG MET A 70 1.446 -0.696 0.154 1.00 0.00 C ATOM 1091 SD MET A 70 0.052 -1.526 0.867 1.00 0.00 S ATOM 1092 CE MET A 70 -0.483 -0.293 2.037 1.00 0.00 C ATOM 0 H MET A 70 4.080 -2.614 -0.736 1.00 0.00 H new ATOM 0 HA MET A 70 3.439 -0.668 -2.592 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.352 -1.235 -1.913 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.146 -2.422 -0.897 1.00 0.00 H new ATOM 0 HG2 MET A 70 2.223 -0.614 0.914 1.00 0.00 H new ATOM 0 HG3 MET A 70 1.146 0.319 -0.106 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.496 -0.723 3.038 1.00 0.00 H new ATOM 0 HE2 MET A 70 0.204 0.553 2.014 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.485 0.047 1.775 1.00 0.00 H new ATOM 1102 N LEU A 71 4.141 0.565 0.384 1.00 0.00 N ATOM 1103 CA LEU A 71 4.417 1.784 1.110 1.00 0.00 C ATOM 1104 C LEU A 71 5.890 2.152 0.940 1.00 0.00 C ATOM 1105 O LEU A 71 6.411 2.923 1.723 1.00 0.00 O ATOM 1106 CB LEU A 71 4.102 1.634 2.593 1.00 0.00 C ATOM 1107 CG LEU A 71 2.657 1.243 2.853 1.00 0.00 C ATOM 1108 CD1 LEU A 71 2.568 -0.061 3.618 1.00 0.00 C ATOM 1109 CD2 LEU A 71 1.927 2.287 3.637 1.00 0.00 C ATOM 0 H LEU A 71 4.355 -0.280 0.914 1.00 0.00 H new ATOM 0 HA LEU A 71 3.781 2.571 0.706 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.761 0.880 3.025 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.316 2.574 3.102 1.00 0.00 H new ATOM 0 HG LEU A 71 2.195 1.135 1.872 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.521 -0.312 3.788 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.043 -0.854 3.041 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.076 0.044 4.577 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.898 1.966 3.800 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.419 2.430 4.599 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.931 3.226 3.084 1.00 0.00 H new ATOM 1121 N ASN A 72 6.586 1.552 -0.013 1.00 0.00 N ATOM 1122 CA ASN A 72 7.941 1.892 -0.434 1.00 0.00 C ATOM 1123 C ASN A 72 7.986 2.377 -1.877 1.00 0.00 C ATOM 1124 O ASN A 72 9.066 2.731 -2.346 1.00 0.00 O ATOM 1125 CB ASN A 72 8.809 0.637 -0.290 1.00 0.00 C ATOM 1126 CG ASN A 72 9.016 0.238 1.152 1.00 0.00 C ATOM 1127 OD1 ASN A 72 8.754 -0.853 1.625 1.00 0.00 O ATOM 1128 ND2 ASN A 72 9.590 1.120 1.921 1.00 0.00 N ATOM 0 H ASN A 72 6.201 0.771 -0.544 1.00 0.00 H new ATOM 0 HA ASN A 72 8.310 2.705 0.192 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.341 -0.188 -0.828 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.778 0.814 -0.757 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.807 0.887 2.890 1.00 0.00 H new ATOM 0 HD22 ASN A 72 9.822 2.043 1.554 1.00 0.00 H new ATOM 1135 N GLU A 73 6.848 2.367 -2.570 1.00 0.00 N ATOM 1136 CA GLU A 73 6.761 2.806 -3.946 1.00 0.00 C ATOM 1137 C GLU A 73 7.126 4.296 -4.066 1.00 0.00 C ATOM 1138 O GLU A 73 7.307 4.992 -3.054 1.00 0.00 O ATOM 1139 CB GLU A 73 5.341 2.491 -4.484 1.00 0.00 C ATOM 1140 CG GLU A 73 5.401 1.481 -5.641 1.00 0.00 C ATOM 1141 CD GLU A 73 4.369 1.801 -6.710 1.00 0.00 C ATOM 1142 OE1 GLU A 73 3.170 1.728 -6.354 1.00 0.00 O ATOM 1143 OE2 GLU A 73 4.798 2.180 -7.818 1.00 0.00 O ATOM 0 H GLU A 73 5.959 2.050 -2.182 1.00 0.00 H new ATOM 0 HA GLU A 73 7.483 2.267 -4.560 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.724 2.091 -3.679 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.865 3.411 -4.824 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.398 1.489 -6.082 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.230 0.475 -5.257 1.00 0.00 H new ATOM 1150 N PRO A 74 7.195 4.841 -5.292 1.00 0.00 N ATOM 1151 CA PRO A 74 7.449 6.251 -5.541 1.00 0.00 C ATOM 1152 C PRO A 74 6.266 7.148 -5.150 1.00 0.00 C ATOM 1153 O PRO A 74 5.938 8.139 -5.799 1.00 0.00 O ATOM 1154 CB PRO A 74 7.781 6.321 -7.040 1.00 0.00 C ATOM 1155 CG PRO A 74 7.220 5.069 -7.693 1.00 0.00 C ATOM 1156 CD PRO A 74 6.923 4.152 -6.539 1.00 0.00 C ATOM 0 HA PRO A 74 8.265 6.631 -4.926 1.00 0.00 H new ATOM 0 HB2 PRO A 74 7.345 7.214 -7.487 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.859 6.382 -7.191 1.00 0.00 H new ATOM 0 HG2 PRO A 74 6.321 5.289 -8.268 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.938 4.623 -8.381 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.881 3.835 -6.572 1.00 0.00 H new ATOM 0 HD3 PRO A 74 7.533 3.251 -6.610 1.00 0.00 H new ATOM 1164 N MET A 75 5.631 6.843 -4.033 1.00 0.00 N ATOM 1165 CA MET A 75 4.512 7.592 -3.537 1.00 0.00 C ATOM 1166 C MET A 75 4.198 7.177 -2.127 1.00 0.00 C ATOM 1167 O MET A 75 3.057 7.289 -1.757 1.00 0.00 O ATOM 1168 CB MET A 75 3.300 7.368 -4.481 1.00 0.00 C ATOM 1169 CG MET A 75 2.867 8.713 -5.054 1.00 0.00 C ATOM 1170 SD MET A 75 1.092 8.796 -5.379 1.00 0.00 S ATOM 1171 CE MET A 75 1.066 7.764 -6.874 1.00 0.00 C ATOM 0 H MET A 75 5.890 6.053 -3.442 1.00 0.00 H new ATOM 0 HA MET A 75 4.749 8.656 -3.519 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.570 6.684 -5.286 1.00 0.00 H new ATOM 0 HB3 MET A 75 2.476 6.908 -3.935 1.00 0.00 H new ATOM 0 HG2 MET A 75 3.142 9.505 -4.357 1.00 0.00 H new ATOM 0 HG3 MET A 75 3.411 8.900 -5.980 1.00 0.00 H new ATOM 0 HE1 MET A 75 0.044 7.685 -7.244 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.695 8.217 -7.640 1.00 0.00 H new ATOM 0 HE3 MET A 75 1.444 6.770 -6.636 1.00 0.00 H new ATOM 1181 N TRP A 76 5.140 6.681 -1.327 1.00 0.00 N ATOM 1182 CA TRP A 76 4.875 6.236 0.042 1.00 0.00 C ATOM 1183 C TRP A 76 6.170 6.262 0.848 1.00 0.00 C ATOM 1184 O TRP A 76 6.984 5.356 0.793 1.00 0.00 O ATOM 1185 CB TRP A 76 4.249 4.841 0.009 1.00 0.00 C ATOM 1186 CG TRP A 76 2.969 4.680 -0.749 1.00 0.00 C ATOM 1187 CD1 TRP A 76 2.840 4.156 -1.986 1.00 0.00 C ATOM 1188 CD2 TRP A 76 1.677 5.271 -0.444 1.00 0.00 C ATOM 1189 NE1 TRP A 76 1.543 4.332 -2.413 1.00 0.00 N ATOM 1190 CE2 TRP A 76 0.801 5.075 -1.529 1.00 0.00 C ATOM 1191 CE3 TRP A 76 1.219 6.089 0.590 1.00 0.00 C ATOM 1192 CZ2 TRP A 76 -0.524 5.519 -1.502 1.00 0.00 C ATOM 1193 CZ3 TRP A 76 -0.105 6.548 0.648 1.00 0.00 C ATOM 1194 CH2 TRP A 76 -0.987 6.227 -0.382 1.00 0.00 C ATOM 0 H TRP A 76 6.114 6.576 -1.611 1.00 0.00 H new ATOM 0 HA TRP A 76 4.169 6.908 0.529 1.00 0.00 H new ATOM 0 HB2 TRP A 76 4.981 4.153 -0.415 1.00 0.00 H new ATOM 0 HB3 TRP A 76 4.074 4.526 1.038 1.00 0.00 H new ATOM 0 HD1 TRP A 76 3.627 3.676 -2.550 1.00 0.00 H new ATOM 0 HE1 TRP A 76 1.176 3.954 -3.286 1.00 0.00 H new ATOM 0 HE3 TRP A 76 1.907 6.378 1.371 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -1.184 5.320 -2.333 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -0.438 7.145 1.484 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -2.024 6.522 -0.319 1.00 0.00 H new ATOM 1205 N ILE A 77 6.451 7.372 1.534 1.00 0.00 N ATOM 1206 CA ILE A 77 7.764 7.556 2.193 1.00 0.00 C ATOM 1207 C ILE A 77 7.501 8.061 3.592 1.00 0.00 C ATOM 1208 O ILE A 77 7.175 7.283 4.477 1.00 0.00 O ATOM 1209 CB ILE A 77 8.740 8.441 1.381 1.00 0.00 C ATOM 1210 CG1 ILE A 77 9.290 7.744 0.120 1.00 0.00 C ATOM 1211 CG2 ILE A 77 9.927 8.937 2.256 1.00 0.00 C ATOM 1212 CD1 ILE A 77 8.241 7.566 -0.989 1.00 0.00 C ATOM 0 H ILE A 77 5.804 8.151 1.652 1.00 0.00 H new ATOM 0 HA ILE A 77 8.289 6.602 2.246 1.00 0.00 H new ATOM 0 HB ILE A 77 8.147 9.296 1.054 1.00 0.00 H new ATOM 0 HG12 ILE A 77 10.126 8.324 -0.271 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.683 6.766 0.397 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.591 9.555 1.652 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.543 9.524 3.090 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.479 8.079 2.640 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.697 7.069 -1.845 1.00 0.00 H new ATOM 0 HD12 ILE A 77 7.416 6.960 -0.615 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.865 8.542 -1.294 1.00 0.00 H new ATOM 1224 N ARG A 78 7.547 9.373 3.790 1.00 0.00 N ATOM 1225 CA ARG A 78 7.297 9.987 5.097 1.00 0.00 C ATOM 1226 C ARG A 78 5.825 10.332 5.273 1.00 0.00 C ATOM 1227 O ARG A 78 5.468 11.167 6.077 1.00 0.00 O ATOM 1228 CB ARG A 78 8.212 11.205 5.254 1.00 0.00 C ATOM 1229 CG ARG A 78 7.683 12.414 4.456 1.00 0.00 C ATOM 1230 CD ARG A 78 8.809 13.258 3.855 1.00 0.00 C ATOM 1231 NE ARG A 78 8.851 14.594 4.457 1.00 0.00 N ATOM 1232 CZ ARG A 78 8.005 15.579 4.207 1.00 0.00 C ATOM 1233 NH1 ARG A 78 7.036 15.438 3.346 1.00 0.00 N ATOM 1234 NH2 ARG A 78 8.123 16.718 4.817 1.00 0.00 N ATOM 0 H ARG A 78 7.758 10.045 3.052 1.00 0.00 H new ATOM 0 HA ARG A 78 7.531 9.277 5.890 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.290 11.469 6.309 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.216 10.954 4.913 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.032 12.061 3.656 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.075 13.039 5.110 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.765 12.757 4.009 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.666 13.346 2.778 1.00 0.00 H new ATOM 0 HE ARG A 78 9.598 14.780 5.127 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.919 14.554 2.850 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.395 16.211 3.169 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.872 16.858 5.495 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.467 17.473 4.619 1.00 0.00 H new ATOM 1248 N MET A 79 4.997 9.804 4.386 1.00 0.00 N ATOM 1249 CA MET A 79 3.571 10.112 4.276 1.00 0.00 C ATOM 1250 C MET A 79 2.788 8.859 4.568 1.00 0.00 C ATOM 1251 O MET A 79 1.734 8.880 5.186 1.00 0.00 O ATOM 1252 CB MET A 79 3.211 10.579 2.862 1.00 0.00 C ATOM 1253 CG MET A 79 4.135 10.024 1.769 1.00 0.00 C ATOM 1254 SD MET A 79 3.713 10.548 0.113 1.00 0.00 S ATOM 1255 CE MET A 79 2.406 9.337 -0.149 1.00 0.00 C ATOM 0 H MET A 79 5.307 9.122 3.694 1.00 0.00 H new ATOM 0 HA MET A 79 3.334 10.908 4.982 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.185 10.282 2.642 1.00 0.00 H new ATOM 0 HB3 MET A 79 3.241 11.668 2.831 1.00 0.00 H new ATOM 0 HG2 MET A 79 5.159 10.331 1.985 1.00 0.00 H new ATOM 0 HG3 MET A 79 4.113 8.935 1.810 1.00 0.00 H new ATOM 0 HE1 MET A 79 2.040 9.412 -1.173 1.00 0.00 H new ATOM 0 HE2 MET A 79 2.799 8.335 0.024 1.00 0.00 H new ATOM 0 HE3 MET A 79 1.587 9.530 0.544 1.00 0.00 H new ATOM 1265 N ARG A 80 3.348 7.716 4.175 1.00 0.00 N ATOM 1266 CA ARG A 80 2.791 6.454 4.576 1.00 0.00 C ATOM 1267 C ARG A 80 2.843 6.164 6.055 1.00 0.00 C ATOM 1268 O ARG A 80 2.173 5.226 6.442 1.00 0.00 O ATOM 1269 CB ARG A 80 3.482 5.290 3.908 1.00 0.00 C ATOM 1270 CG ARG A 80 4.982 5.368 4.076 1.00 0.00 C ATOM 1271 CD ARG A 80 5.641 4.093 4.557 1.00 0.00 C ATOM 1272 NE ARG A 80 6.679 4.355 5.543 1.00 0.00 N ATOM 1273 CZ ARG A 80 7.143 3.466 6.390 1.00 0.00 C ATOM 1274 NH1 ARG A 80 6.664 2.249 6.426 1.00 0.00 N ATOM 1275 NH2 ARG A 80 8.054 3.784 7.256 1.00 0.00 N ATOM 0 H ARG A 80 4.178 7.652 3.586 1.00 0.00 H new ATOM 0 HA ARG A 80 1.750 6.554 4.269 1.00 0.00 H new ATOM 0 HB2 ARG A 80 3.115 4.355 4.332 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.233 5.278 2.847 1.00 0.00 H new ATOM 0 HG2 ARG A 80 5.425 5.650 3.121 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.212 6.166 4.782 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.887 3.436 4.990 1.00 0.00 H new ATOM 0 HD3 ARG A 80 6.073 3.565 3.707 1.00 0.00 H new ATOM 0 HE ARG A 80 7.073 5.295 5.578 1.00 0.00 H new ATOM 0 HH11 ARG A 80 5.916 1.976 5.788 1.00 0.00 H new ATOM 0 HH12 ARG A 80 7.038 1.573 7.092 1.00 0.00 H new ATOM 0 HH21 ARG A 80 8.420 4.736 7.285 1.00 0.00 H new ATOM 0 HH22 ARG A 80 8.405 3.082 7.908 1.00 0.00 H new ATOM 1289 N ASP A 81 3.587 6.910 6.852 1.00 0.00 N ATOM 1290 CA ASP A 81 3.553 6.849 8.326 1.00 0.00 C ATOM 1291 C ASP A 81 2.136 6.857 8.927 1.00 0.00 C ATOM 1292 O ASP A 81 1.860 6.286 9.978 1.00 0.00 O ATOM 1293 CB ASP A 81 4.299 8.057 8.888 1.00 0.00 C ATOM 1294 CG ASP A 81 5.388 7.630 9.866 1.00 0.00 C ATOM 1295 OD1 ASP A 81 5.054 7.181 10.979 1.00 0.00 O ATOM 1296 OD2 ASP A 81 6.557 7.648 9.418 1.00 0.00 O ATOM 0 H ASP A 81 4.252 7.596 6.496 1.00 0.00 H new ATOM 0 HA ASP A 81 4.016 5.901 8.598 1.00 0.00 H new ATOM 0 HB2 ASP A 81 4.744 8.625 8.071 1.00 0.00 H new ATOM 0 HB3 ASP A 81 3.595 8.720 9.391 1.00 0.00 H new ATOM 1301 N GLN A 82 1.179 7.401 8.187 1.00 0.00 N ATOM 1302 CA GLN A 82 -0.232 7.355 8.529 1.00 0.00 C ATOM 1303 C GLN A 82 -1.008 6.353 7.705 1.00 0.00 C ATOM 1304 O GLN A 82 -1.961 5.780 8.202 1.00 0.00 O ATOM 1305 CB GLN A 82 -0.797 8.734 8.323 1.00 0.00 C ATOM 1306 CG GLN A 82 -0.325 9.660 9.460 1.00 0.00 C ATOM 1307 CD GLN A 82 0.330 10.952 9.000 1.00 0.00 C ATOM 1308 OE1 GLN A 82 1.347 10.963 8.335 1.00 0.00 O ATOM 1309 NE2 GLN A 82 -0.269 12.079 9.300 1.00 0.00 N ATOM 0 H GLN A 82 1.368 7.896 7.315 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.325 7.032 9.566 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -0.475 9.130 7.360 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.886 8.693 8.302 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -1.181 9.907 10.088 1.00 0.00 H new ATOM 0 HG3 GLN A 82 0.381 9.114 10.085 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -1.123 12.070 9.858 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.119 12.965 8.975 1.00 0.00 H new ATOM 1318 N VAL A 83 -0.559 6.001 6.507 1.00 0.00 N ATOM 1319 CA VAL A 83 -1.222 5.009 5.636 1.00 0.00 C ATOM 1320 C VAL A 83 -0.722 3.606 5.948 1.00 0.00 C ATOM 1321 O VAL A 83 -1.066 2.640 5.287 1.00 0.00 O ATOM 1322 CB VAL A 83 -1.112 5.405 4.148 1.00 0.00 C ATOM 1323 CG1 VAL A 83 -1.104 6.921 3.976 1.00 0.00 C ATOM 1324 CG2 VAL A 83 0.115 4.831 3.492 1.00 0.00 C ATOM 0 H VAL A 83 0.287 6.396 6.097 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.291 5.001 5.849 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.992 4.987 3.660 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.026 7.167 2.917 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.028 7.338 4.378 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.253 7.343 4.510 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.146 5.138 2.447 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.006 5.195 4.004 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.083 3.743 3.549 1.00 0.00 H new ATOM 1334 N MET A 84 0.135 3.469 6.949 1.00 0.00 N ATOM 1335 CA MET A 84 0.813 2.234 7.274 1.00 0.00 C ATOM 1336 C MET A 84 0.001 1.500 8.285 1.00 0.00 C ATOM 1337 O MET A 84 -0.204 0.310 8.135 1.00 0.00 O ATOM 1338 CB MET A 84 2.174 2.526 7.860 1.00 0.00 C ATOM 1339 CG MET A 84 2.223 3.304 9.185 1.00 0.00 C ATOM 1340 SD MET A 84 3.839 3.523 9.953 1.00 0.00 S ATOM 1341 CE MET A 84 4.849 3.406 8.485 1.00 0.00 C ATOM 0 H MET A 84 0.381 4.238 7.572 1.00 0.00 H new ATOM 0 HA MET A 84 0.934 1.638 6.370 1.00 0.00 H new ATOM 0 HB2 MET A 84 2.687 1.576 8.008 1.00 0.00 H new ATOM 0 HB3 MET A 84 2.746 3.085 7.120 1.00 0.00 H new ATOM 0 HG2 MET A 84 1.794 4.291 9.013 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.576 2.795 9.899 1.00 0.00 H new ATOM 0 HE1 MET A 84 5.877 3.676 8.728 1.00 0.00 H new ATOM 0 HE2 MET A 84 4.822 2.385 8.105 1.00 0.00 H new ATOM 0 HE3 MET A 84 4.466 4.086 7.724 1.00 0.00 H new ATOM 1351 N SER A 85 -0.464 2.219 9.309 1.00 0.00 N ATOM 1352 CA SER A 85 -1.296 1.670 10.366 1.00 0.00 C ATOM 1353 C SER A 85 -2.755 1.703 9.924 1.00 0.00 C ATOM 1354 O SER A 85 -3.655 1.403 10.690 1.00 0.00 O ATOM 1355 CB SER A 85 -1.129 2.451 11.665 1.00 0.00 C ATOM 1356 OG SER A 85 -1.233 1.503 12.710 1.00 0.00 O ATOM 0 H SER A 85 -0.267 3.213 9.423 1.00 0.00 H new ATOM 0 HA SER A 85 -0.986 0.642 10.553 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.164 2.958 11.693 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.896 3.220 11.759 1.00 0.00 H new ATOM 0 HG SER A 85 -1.131 1.955 13.573 1.00 0.00 H new ATOM 1362 N MET A 86 -3.012 2.047 8.664 1.00 0.00 N ATOM 1363 CA MET A 86 -4.354 2.120 8.106 1.00 0.00 C ATOM 1364 C MET A 86 -4.522 1.121 6.986 1.00 0.00 C ATOM 1365 O MET A 86 -5.471 0.340 6.962 1.00 0.00 O ATOM 1366 CB MET A 86 -4.581 3.503 7.568 1.00 0.00 C ATOM 1367 CG MET A 86 -4.520 4.580 8.636 1.00 0.00 C ATOM 1368 SD MET A 86 -5.822 4.487 9.878 1.00 0.00 S ATOM 1369 CE MET A 86 -7.049 5.492 9.018 1.00 0.00 C ATOM 0 H MET A 86 -2.280 2.286 7.995 1.00 0.00 H new ATOM 0 HA MET A 86 -5.076 1.891 8.890 1.00 0.00 H new ATOM 0 HB2 MET A 86 -3.833 3.716 6.804 1.00 0.00 H new ATOM 0 HB3 MET A 86 -5.555 3.540 7.080 1.00 0.00 H new ATOM 0 HG2 MET A 86 -3.554 4.520 9.137 1.00 0.00 H new ATOM 0 HG3 MET A 86 -4.568 5.555 8.152 1.00 0.00 H new ATOM 0 HE1 MET A 86 -7.876 5.712 9.693 1.00 0.00 H new ATOM 0 HE2 MET A 86 -6.590 6.425 8.690 1.00 0.00 H new ATOM 0 HE3 MET A 86 -7.423 4.947 8.151 1.00 0.00 H new ATOM 1379 N ALA A 87 -3.485 0.983 6.170 1.00 0.00 N ATOM 1380 CA ALA A 87 -3.443 -0.052 5.176 1.00 0.00 C ATOM 1381 C ALA A 87 -2.873 -1.359 5.731 1.00 0.00 C ATOM 1382 O ALA A 87 -2.363 -2.188 4.995 1.00 0.00 O ATOM 1383 CB ALA A 87 -2.610 0.447 4.037 1.00 0.00 C ATOM 0 H ALA A 87 -2.662 1.585 6.187 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.457 -0.277 4.845 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.558 -0.318 3.262 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.060 1.350 3.625 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.605 0.672 4.393 1.00 0.00 H new ATOM 1389 N HIS A 88 -2.911 -1.551 7.042 1.00 0.00 N ATOM 1390 CA HIS A 88 -2.548 -2.817 7.670 1.00 0.00 C ATOM 1391 C HIS A 88 -3.773 -3.618 8.046 1.00 0.00 C ATOM 1392 O HIS A 88 -3.656 -4.801 8.266 1.00 0.00 O ATOM 1393 CB HIS A 88 -1.704 -2.525 8.900 1.00 0.00 C ATOM 1394 CG HIS A 88 -2.449 -2.087 10.151 1.00 0.00 C ATOM 1395 ND1 HIS A 88 -3.605 -1.347 10.221 1.00 0.00 N flip ATOM 1396 CD2 HIS A 88 -2.056 -2.378 11.444 1.00 0.00 C flip ATOM 1397 CE1 HIS A 88 -3.921 -1.212 11.557 1.00 0.00 C flip ATOM 1398 NE2 HIS A 88 -2.964 -1.825 12.278 1.00 0.00 N flip ATOM 0 H HIS A 88 -3.196 -0.830 7.705 1.00 0.00 H new ATOM 0 HA HIS A 88 -1.978 -3.416 6.960 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.132 -3.421 9.141 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -0.985 -1.747 8.642 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -1.183 -2.944 11.734 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -4.786 -0.703 11.955 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -2.929 -1.866 13.297 1.00 0.00 H new ATOM 1407 N ASN A 89 -4.932 -2.981 8.180 1.00 0.00 N ATOM 1408 CA ASN A 89 -6.214 -3.598 8.470 1.00 0.00 C ATOM 1409 C ASN A 89 -7.100 -3.545 7.257 1.00 0.00 C ATOM 1410 O ASN A 89 -7.913 -4.421 7.138 1.00 0.00 O ATOM 1411 CB ASN A 89 -6.916 -2.871 9.605 1.00 0.00 C ATOM 1412 CG ASN A 89 -6.495 -3.427 10.943 1.00 0.00 C ATOM 1413 OD1 ASN A 89 -5.246 -3.769 11.095 1.00 0.00 O flip ATOM 1414 ND2 ASN A 89 -7.240 -3.529 11.882 1.00 0.00 N flip ATOM 0 H ASN A 89 -5.002 -1.968 8.083 1.00 0.00 H new ATOM 0 HA ASN A 89 -6.028 -4.633 8.757 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -6.683 -1.807 9.559 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.996 -2.967 9.491 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -8.221 -3.267 11.785 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -6.891 -3.877 12.775 1.00 0.00 H new ATOM 1421 N LEU A 90 -6.895 -2.635 6.313 1.00 0.00 N ATOM 1422 CA LEU A 90 -7.603 -2.657 5.041 1.00 0.00 C ATOM 1423 C LEU A 90 -7.347 -3.932 4.223 1.00 0.00 C ATOM 1424 O LEU A 90 -8.300 -4.579 3.803 1.00 0.00 O ATOM 1425 CB LEU A 90 -7.167 -1.418 4.248 1.00 0.00 C ATOM 1426 CG LEU A 90 -7.945 -0.167 4.633 1.00 0.00 C ATOM 1427 CD1 LEU A 90 -7.409 1.041 3.879 1.00 0.00 C ATOM 1428 CD2 LEU A 90 -9.376 -0.407 4.276 1.00 0.00 C ATOM 0 H LEU A 90 -6.235 -1.863 6.408 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.674 -2.649 5.242 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.104 -1.244 4.411 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.299 -1.609 3.183 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.843 0.036 5.699 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.975 1.928 4.164 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.357 1.186 4.125 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.511 0.875 2.807 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.968 0.470 4.538 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.457 -0.594 3.205 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.748 -1.273 4.825 1.00 0.00 H new ATOM 1440 N PRO A 91 -6.083 -4.326 3.996 1.00 0.00 N ATOM 1441 CA PRO A 91 -5.770 -5.555 3.306 1.00 0.00 C ATOM 1442 C PRO A 91 -6.011 -6.754 4.205 1.00 0.00 C ATOM 1443 O PRO A 91 -6.336 -7.819 3.723 1.00 0.00 O ATOM 1444 CB PRO A 91 -4.303 -5.477 2.901 1.00 0.00 C ATOM 1445 CG PRO A 91 -3.724 -4.435 3.822 1.00 0.00 C ATOM 1446 CD PRO A 91 -4.867 -3.722 4.462 1.00 0.00 C ATOM 0 HA PRO A 91 -6.409 -5.677 2.431 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.804 -6.438 3.023 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -4.193 -5.191 1.855 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -3.090 -4.900 4.577 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.098 -3.736 3.266 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -4.799 -3.790 5.548 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -4.846 -2.662 4.208 1.00 0.00 H new ATOM 1454 N ILE A 92 -5.884 -6.634 5.517 1.00 0.00 N ATOM 1455 CA ILE A 92 -6.210 -7.758 6.397 1.00 0.00 C ATOM 1456 C ILE A 92 -7.702 -8.023 6.484 1.00 0.00 C ATOM 1457 O ILE A 92 -8.074 -9.186 6.431 1.00 0.00 O ATOM 1458 CB ILE A 92 -5.659 -7.448 7.786 1.00 0.00 C ATOM 1459 CG1 ILE A 92 -4.161 -7.787 7.813 1.00 0.00 C ATOM 1460 CG2 ILE A 92 -6.484 -8.125 8.901 1.00 0.00 C ATOM 1461 CD1 ILE A 92 -3.645 -8.290 9.159 1.00 0.00 C ATOM 0 H ILE A 92 -5.565 -5.791 5.994 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.758 -8.659 5.982 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.757 -6.383 7.996 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.960 -8.545 7.056 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.596 -6.898 7.532 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -6.056 -7.877 9.872 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -7.514 -7.771 8.857 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -6.466 -9.206 8.762 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.579 -8.504 9.083 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.809 -7.527 9.920 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -4.178 -9.199 9.436 1.00 0.00 H new ATOM 1473 N GLU A 93 -8.525 -6.990 6.628 1.00 0.00 N ATOM 1474 CA GLU A 93 -9.991 -7.097 6.690 1.00 0.00 C ATOM 1475 C GLU A 93 -10.562 -7.605 5.375 1.00 0.00 C ATOM 1476 O GLU A 93 -11.669 -8.124 5.336 1.00 0.00 O ATOM 1477 CB GLU A 93 -10.629 -5.727 6.984 1.00 0.00 C ATOM 1478 CG GLU A 93 -10.586 -5.397 8.488 1.00 0.00 C ATOM 1479 CD GLU A 93 -12.001 -5.129 8.989 1.00 0.00 C ATOM 1480 OE1 GLU A 93 -12.501 -4.019 8.675 1.00 0.00 O ATOM 1481 OE2 GLU A 93 -12.574 -6.058 9.598 1.00 0.00 O ATOM 0 H GLU A 93 -8.191 -6.030 6.707 1.00 0.00 H new ATOM 0 HA GLU A 93 -10.222 -7.800 7.490 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -10.104 -4.952 6.425 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -11.663 -5.724 6.639 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -10.144 -6.226 9.041 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.956 -4.525 8.662 1.00 0.00 H new ATOM 1488 N CYS A 94 -9.800 -7.488 4.288 1.00 0.00 N ATOM 1489 CA CYS A 94 -10.143 -8.127 3.033 1.00 0.00 C ATOM 1490 C CYS A 94 -9.637 -9.559 2.908 1.00 0.00 C ATOM 1491 O CYS A 94 -10.025 -10.197 1.935 1.00 0.00 O ATOM 1492 CB CYS A 94 -9.561 -7.293 1.906 1.00 0.00 C ATOM 1493 SG CYS A 94 -10.659 -6.003 1.300 1.00 0.00 S ATOM 0 H CYS A 94 -8.934 -6.950 4.259 1.00 0.00 H new ATOM 0 HA CYS A 94 -11.230 -8.185 2.986 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -8.634 -6.834 2.250 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -9.302 -7.952 1.078 1.00 0.00 H new ATOM 1498 N ASN A 95 -8.791 -10.040 3.837 1.00 0.00 N ATOM 1499 CA ASN A 95 -8.160 -11.368 3.894 1.00 0.00 C ATOM 1500 C ASN A 95 -6.942 -11.427 2.944 1.00 0.00 C ATOM 1501 O ASN A 95 -6.566 -12.464 2.406 1.00 0.00 O ATOM 1502 CB ASN A 95 -9.216 -12.442 3.578 1.00 0.00 C ATOM 1503 CG ASN A 95 -8.909 -13.775 4.226 1.00 0.00 C ATOM 1504 OD1 ASN A 95 -9.697 -14.335 4.969 1.00 0.00 O ATOM 1505 ND2 ASN A 95 -7.730 -14.302 4.001 1.00 0.00 N ATOM 0 H ASN A 95 -8.510 -9.463 4.630 1.00 0.00 H new ATOM 0 HA ASN A 95 -7.778 -11.562 4.896 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -10.193 -12.095 3.916 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -9.281 -12.575 2.498 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -7.471 -15.182 4.448 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -7.072 -13.832 3.379 1.00 0.00 H new ATOM 1512 N LEU A 96 -6.350 -10.285 2.656 1.00 0.00 N ATOM 1513 CA LEU A 96 -5.246 -10.213 1.731 1.00 0.00 C ATOM 1514 C LEU A 96 -4.025 -10.627 2.513 1.00 0.00 C ATOM 1515 O LEU A 96 -3.534 -11.731 2.331 1.00 0.00 O ATOM 1516 CB LEU A 96 -5.160 -8.826 1.117 1.00 0.00 C ATOM 1517 CG LEU A 96 -6.506 -8.347 0.527 1.00 0.00 C ATOM 1518 CD1 LEU A 96 -6.482 -6.839 0.305 1.00 0.00 C ATOM 1519 CD2 LEU A 96 -6.873 -9.112 -0.746 1.00 0.00 C ATOM 0 H LEU A 96 -6.622 -9.387 3.056 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.360 -10.879 0.876 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.829 -8.118 1.876 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.404 -8.828 0.331 1.00 0.00 H new ATOM 0 HG LEU A 96 -7.291 -8.565 1.251 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.437 -6.517 -0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.312 -6.334 1.256 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.680 -6.586 -0.389 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -7.825 -8.745 -1.129 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -6.098 -8.962 -1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -6.958 -10.175 -0.520 1.00 0.00 H new ATOM 1531 N MET A 97 -3.667 -9.810 3.506 1.00 0.00 N ATOM 1532 CA MET A 97 -2.495 -10.028 4.345 1.00 0.00 C ATOM 1533 C MET A 97 -2.824 -10.375 5.775 1.00 0.00 C ATOM 1534 O MET A 97 -1.957 -10.183 6.629 1.00 0.00 O ATOM 1535 CB MET A 97 -1.563 -8.823 4.257 1.00 0.00 C ATOM 1536 CG MET A 97 -2.086 -7.623 5.017 1.00 0.00 C ATOM 1537 SD MET A 97 -0.968 -6.229 5.054 1.00 0.00 S ATOM 1538 CE MET A 97 0.050 -6.682 6.469 1.00 0.00 C ATOM 0 H MET A 97 -4.191 -8.970 3.750 1.00 0.00 H new ATOM 0 HA MET A 97 -1.984 -10.908 3.954 1.00 0.00 H new ATOM 0 HB2 MET A 97 -0.583 -9.097 4.649 1.00 0.00 H new ATOM 0 HB3 MET A 97 -1.424 -8.552 3.210 1.00 0.00 H new ATOM 0 HG2 MET A 97 -3.028 -7.306 4.569 1.00 0.00 H new ATOM 0 HG3 MET A 97 -2.306 -7.924 6.041 1.00 0.00 H new ATOM 0 HE1 MET A 97 0.806 -5.914 6.634 1.00 0.00 H new ATOM 0 HE2 MET A 97 -0.578 -6.770 7.356 1.00 0.00 H new ATOM 0 HE3 MET A 97 0.539 -7.637 6.275 1.00 0.00 H new ATOM 1548 N SER A 98 -4.041 -10.871 6.037 1.00 0.00 N ATOM 1549 CA SER A 98 -4.565 -11.178 7.384 1.00 0.00 C ATOM 1550 C SER A 98 -3.490 -11.715 8.349 1.00 0.00 C ATOM 1551 O SER A 98 -2.910 -11.074 9.231 1.00 0.00 O ATOM 1552 CB SER A 98 -5.763 -12.120 7.306 1.00 0.00 C ATOM 1553 OG SER A 98 -5.388 -13.306 6.632 1.00 0.00 O ATOM 0 H SER A 98 -4.712 -11.078 5.297 1.00 0.00 H new ATOM 0 HA SER A 98 -4.899 -10.230 7.805 1.00 0.00 H new ATOM 0 HB2 SER A 98 -6.119 -12.356 8.309 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.586 -11.636 6.781 1.00 0.00 H new ATOM 0 HG SER A 98 -6.157 -13.912 6.583 1.00 0.00 H new ATOM 1559 N GLN A 99 -3.066 -12.915 8.066 1.00 0.00 N ATOM 1560 CA GLN A 99 -1.901 -13.477 8.701 1.00 0.00 C ATOM 1561 C GLN A 99 -1.294 -14.562 7.815 1.00 0.00 C ATOM 1562 O GLN A 99 -1.194 -15.690 8.254 1.00 0.00 O ATOM 1563 CB GLN A 99 -2.390 -13.955 10.070 1.00 0.00 C ATOM 1564 CG GLN A 99 -3.554 -14.977 9.921 1.00 0.00 C ATOM 1565 CD GLN A 99 -3.300 -16.298 10.627 1.00 0.00 C ATOM 1566 OE1 GLN A 99 -2.371 -16.491 11.387 1.00 0.00 O ATOM 1567 NE2 GLN A 99 -4.160 -17.260 10.435 1.00 0.00 N ATOM 0 H GLN A 99 -3.516 -13.532 7.390 1.00 0.00 H new ATOM 0 HA GLN A 99 -1.084 -12.769 8.842 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -1.565 -14.415 10.615 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -2.724 -13.101 10.659 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -4.468 -14.534 10.316 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -3.725 -15.168 8.862 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -4.948 -17.121 9.802 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -4.045 -18.151 10.918 1.00 0.00 H new ATOM 1576 N PRO A 100 -0.982 -14.296 6.541 1.00 0.00 N ATOM 1577 CA PRO A 100 -0.432 -15.316 5.657 1.00 0.00 C ATOM 1578 C PRO A 100 1.045 -15.530 5.980 1.00 0.00 C ATOM 1579 O PRO A 100 1.442 -16.627 6.308 1.00 0.00 O ATOM 1580 CB PRO A 100 -0.589 -14.761 4.245 1.00 0.00 C ATOM 1581 CG PRO A 100 -0.810 -13.278 4.414 1.00 0.00 C ATOM 1582 CD PRO A 100 -1.092 -13.030 5.873 1.00 0.00 C ATOM 0 HA PRO A 100 -0.938 -16.275 5.769 1.00 0.00 H new ATOM 0 HB2 PRO A 100 0.299 -14.959 3.645 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -1.430 -15.227 3.732 1.00 0.00 H new ATOM 0 HG2 PRO A 100 0.069 -12.719 4.092 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.644 -12.941 3.799 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.383 -12.313 6.287 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.088 -12.608 6.007 1.00 0.00 H new ATOM 1590 N CYS A 101 1.891 -14.509 5.851 1.00 0.00 N ATOM 1591 CA CYS A 101 3.308 -14.649 6.143 1.00 0.00 C ATOM 1592 C CYS A 101 3.484 -14.665 7.665 1.00 0.00 C ATOM 1593 O CYS A 101 3.137 -13.680 8.333 1.00 0.00 O ATOM 1594 CB CYS A 101 4.074 -13.503 5.476 1.00 0.00 C ATOM 1595 SG CYS A 101 3.404 -12.860 3.894 1.00 0.00 S ATOM 0 H CYS A 101 1.614 -13.576 5.545 1.00 0.00 H new ATOM 0 HA CYS A 101 3.710 -15.581 5.744 1.00 0.00 H new ATOM 0 HB2 CYS A 101 4.127 -12.675 6.183 1.00 0.00 H new ATOM 0 HB3 CYS A 101 5.096 -13.837 5.300 1.00 0.00 H new