USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 533 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 45 GLN : amide:sc= 1.04 K(o=2.9,f=-8.3!) USER MOD Set 1.2: A 47 LYS NZ :NH3+ 141:sc= 1.91 (180deg=0.777) USER MOD Set 2.1: A 42 SER OG : rot 140:sc= 0.659! USER MOD Set 2.2: A 44 THR OG1 : rot -92:sc= 1.32 USER MOD Set 3.1: A 16 ASN : amide:sc= 0.277 K(o=0.82,f=-4.5!) USER MOD Set 3.2: A 74 GLN : amide:sc= 0.541 K(o=0.82,f=-4.8) USER MOD Single : A 11 LYS NZ :NH3+ 167:sc= -1.53! (180deg=-1.64!) USER MOD Single : A 21 ASN : amide:sc= 0.357 X(o=0.36,f=0) USER MOD Single : A 24 SER OG : rot 78:sc= 0.856 USER MOD Single : A 27 HIS : no HE2:sc= -2.03 K(o=-2,f=-3.1) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.122 USER MOD Single : A 34 GLN : amide:sc= -1.69 K(o=-1.7,f=-11!) USER MOD Single : A 39 LYS NZ :NH3+ 150:sc= -0.124 (180deg=-0.602) USER MOD Single : A 49 HIS : no HE2:sc= -0.189 K(o=-0.19,f=-6.3!) USER MOD Single : A 50 SER OG : rot -102:sc= 1.03 USER MOD Single : A 51 THR OG1 : rot 30:sc= -0.808! USER MOD Single : A 57 LYS NZ :NH3+ -116:sc= -1.01! (180deg=-2.67!) USER MOD Single : A 70 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 71 ASN : amide:sc= -0.529 K(o=-0.53,f=-4.6!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 144 N LYS A 11 -1.155 4.317 -12.909 1.00 2.18 N ATOM 145 CA LYS A 11 -1.299 2.859 -12.638 1.00 2.01 C ATOM 146 C LYS A 11 -2.175 2.678 -11.395 1.00 1.62 C ATOM 147 O LYS A 11 -2.284 3.581 -10.581 1.00 1.57 O ATOM 148 CB LYS A 11 0.096 2.265 -12.372 1.00 2.09 C ATOM 149 CG LYS A 11 0.969 2.344 -13.639 1.00 2.55 C ATOM 150 CD LYS A 11 2.460 2.396 -13.252 1.00 3.29 C ATOM 151 CE LYS A 11 2.871 1.109 -12.526 1.00 3.90 C ATOM 152 NZ LYS A 11 4.261 1.208 -11.991 1.00 5.02 N ATOM 0 HA LYS A 11 -1.756 2.355 -13.490 1.00 2.01 H new ATOM 0 HB2 LYS A 11 0.578 2.805 -11.557 1.00 2.09 H new ATOM 0 HB3 LYS A 11 0.001 1.227 -12.054 1.00 2.09 H new ATOM 0 HG2 LYS A 11 0.780 1.479 -14.275 1.00 2.55 H new ATOM 0 HG3 LYS A 11 0.704 3.229 -14.218 1.00 2.55 H new ATOM 0 HD2 LYS A 11 3.070 2.527 -14.146 1.00 3.29 H new ATOM 0 HD3 LYS A 11 2.646 3.258 -12.611 1.00 3.29 H new ATOM 0 HE2 LYS A 11 2.177 0.913 -11.708 1.00 3.90 H new ATOM 0 HE3 LYS A 11 2.802 0.264 -13.212 1.00 3.90 H new ATOM 0 HZ1 LYS A 11 4.433 0.427 -11.326 1.00 5.02 H new ATOM 0 HZ2 LYS A 11 4.940 1.150 -12.776 1.00 5.02 H new ATOM 0 HZ3 LYS A 11 4.379 2.116 -11.498 1.00 5.02 H new ATOM 166 N VAL A 12 -2.774 1.523 -11.271 1.00 1.50 N ATOM 167 CA VAL A 12 -3.632 1.251 -10.082 1.00 1.22 C ATOM 168 C VAL A 12 -2.920 0.147 -9.309 1.00 1.11 C ATOM 169 O VAL A 12 -2.413 -0.781 -9.918 1.00 1.53 O ATOM 170 CB VAL A 12 -5.026 0.783 -10.532 1.00 1.39 C ATOM 171 CG1 VAL A 12 -5.954 0.653 -9.313 1.00 1.99 C ATOM 172 CG2 VAL A 12 -5.621 1.813 -11.507 1.00 2.27 C ATOM 0 H VAL A 12 -2.706 0.757 -11.941 1.00 1.50 H new ATOM 0 HA VAL A 12 -3.775 2.141 -9.469 1.00 1.22 H new ATOM 0 HB VAL A 12 -4.935 -0.186 -11.024 1.00 1.39 H new ATOM 0 HG11 VAL A 12 -6.940 0.321 -9.640 1.00 1.99 H new ATOM 0 HG12 VAL A 12 -5.539 -0.075 -8.616 1.00 1.99 H new ATOM 0 HG13 VAL A 12 -6.042 1.620 -8.818 1.00 1.99 H new ATOM 0 HG21 VAL A 12 -6.609 1.483 -11.827 1.00 2.27 H new ATOM 0 HG22 VAL A 12 -5.705 2.779 -11.009 1.00 2.27 H new ATOM 0 HG23 VAL A 12 -4.971 1.908 -12.377 1.00 2.27 H new ATOM 182 N PHE A 13 -2.921 0.232 -8.003 1.00 1.01 N ATOM 183 CA PHE A 13 -2.202 -0.803 -7.204 1.00 1.12 C ATOM 184 C PHE A 13 -3.121 -1.496 -6.202 1.00 0.87 C ATOM 185 O PHE A 13 -4.142 -0.965 -5.800 1.00 0.95 O ATOM 186 CB PHE A 13 -1.086 -0.135 -6.389 1.00 1.62 C ATOM 187 CG PHE A 13 0.073 0.373 -7.265 1.00 1.22 C ATOM 188 CD1 PHE A 13 -0.098 1.431 -8.146 1.00 1.29 C ATOM 189 CD2 PHE A 13 1.339 -0.172 -7.113 1.00 1.72 C ATOM 190 CE1 PHE A 13 0.979 1.934 -8.852 1.00 1.45 C ATOM 191 CE2 PHE A 13 2.411 0.334 -7.820 1.00 1.81 C ATOM 192 CZ PHE A 13 2.233 1.387 -8.685 1.00 1.50 C ATOM 0 H PHE A 13 -3.382 0.963 -7.462 1.00 1.01 H new ATOM 0 HA PHE A 13 -1.814 -1.536 -7.912 1.00 1.12 H new ATOM 0 HB2 PHE A 13 -1.504 0.701 -5.827 1.00 1.62 H new ATOM 0 HB3 PHE A 13 -0.699 -0.847 -5.660 1.00 1.62 H new ATOM 0 HD1 PHE A 13 -1.078 1.864 -8.281 1.00 1.29 H new ATOM 0 HD2 PHE A 13 1.488 -1.000 -6.435 1.00 1.72 H new ATOM 0 HE1 PHE A 13 0.837 2.758 -9.536 1.00 1.45 H new ATOM 0 HE2 PHE A 13 3.392 -0.099 -7.693 1.00 1.81 H new ATOM 0 HZ PHE A 13 3.074 1.785 -9.233 1.00 1.50 H new ATOM 202 N ARG A 14 -2.706 -2.670 -5.821 1.00 0.88 N ATOM 203 CA ARG A 14 -3.444 -3.475 -4.813 1.00 0.84 C ATOM 204 C ARG A 14 -2.383 -4.160 -3.945 1.00 0.86 C ATOM 205 O ARG A 14 -1.437 -4.723 -4.482 1.00 1.09 O ATOM 206 CB ARG A 14 -4.328 -4.506 -5.527 1.00 0.94 C ATOM 207 CG ARG A 14 -4.734 -5.612 -4.545 1.00 1.64 C ATOM 208 CD ARG A 14 -5.845 -6.460 -5.166 1.00 1.59 C ATOM 209 NE ARG A 14 -7.168 -5.856 -4.809 1.00 2.71 N ATOM 210 CZ ARG A 14 -7.930 -6.513 -3.995 1.00 4.05 C ATOM 211 NH1 ARG A 14 -8.130 -7.767 -4.219 1.00 4.31 N ATOM 212 NH2 ARG A 14 -8.425 -5.906 -2.969 1.00 5.71 N ATOM 0 H ARG A 14 -1.861 -3.117 -6.178 1.00 0.88 H new ATOM 0 HA ARG A 14 -4.098 -2.859 -4.197 1.00 0.84 H new ATOM 0 HB2 ARG A 14 -5.217 -4.020 -5.929 1.00 0.94 H new ATOM 0 HB3 ARG A 14 -3.790 -4.937 -6.372 1.00 0.94 H new ATOM 0 HG2 ARG A 14 -3.873 -6.237 -4.308 1.00 1.64 H new ATOM 0 HG3 ARG A 14 -5.077 -5.174 -3.608 1.00 1.64 H new ATOM 0 HD2 ARG A 14 -5.728 -6.501 -6.249 1.00 1.59 H new ATOM 0 HD3 ARG A 14 -5.787 -7.485 -4.800 1.00 1.59 H new ATOM 0 HE ARG A 14 -7.459 -4.957 -5.194 1.00 2.71 H new ATOM 0 HH11 ARG A 14 -7.692 -8.218 -5.022 1.00 4.31 H new ATOM 0 HH12 ARG A 14 -8.726 -8.308 -3.593 1.00 4.31 H new ATOM 0 HH21 ARG A 14 -8.214 -4.921 -2.808 1.00 5.71 H new ATOM 0 HH22 ARG A 14 -9.027 -6.411 -2.319 1.00 5.71 H new ATOM 226 N VAL A 15 -2.530 -4.097 -2.644 1.00 0.83 N ATOM 227 CA VAL A 15 -1.512 -4.740 -1.751 1.00 0.82 C ATOM 228 C VAL A 15 -2.180 -5.879 -0.988 1.00 0.81 C ATOM 229 O VAL A 15 -3.214 -5.667 -0.383 1.00 1.08 O ATOM 230 CB VAL A 15 -0.985 -3.705 -0.736 1.00 0.94 C ATOM 231 CG1 VAL A 15 0.348 -4.189 -0.141 1.00 1.29 C ATOM 232 CG2 VAL A 15 -0.777 -2.347 -1.424 1.00 1.14 C ATOM 0 H VAL A 15 -3.302 -3.634 -2.164 1.00 0.83 H new ATOM 0 HA VAL A 15 -0.684 -5.117 -2.352 1.00 0.82 H new ATOM 0 HB VAL A 15 -1.718 -3.592 0.062 1.00 0.94 H new ATOM 0 HG11 VAL A 15 0.715 -3.454 0.575 1.00 1.29 H new ATOM 0 HG12 VAL A 15 0.196 -5.143 0.364 1.00 1.29 H new ATOM 0 HG13 VAL A 15 1.079 -4.314 -0.940 1.00 1.29 H new ATOM 0 HG21 VAL A 15 -0.405 -1.624 -0.698 1.00 1.14 H new ATOM 0 HG22 VAL A 15 -0.053 -2.455 -2.232 1.00 1.14 H new ATOM 0 HG23 VAL A 15 -1.725 -1.996 -1.831 1.00 1.14 H new ATOM 242 N ASN A 16 -1.589 -7.044 -1.006 1.00 0.74 N ATOM 243 CA ASN A 16 -2.206 -8.191 -0.277 1.00 0.75 C ATOM 244 C ASN A 16 -1.451 -8.420 1.026 1.00 0.85 C ATOM 245 O ASN A 16 -0.849 -9.452 1.227 1.00 2.03 O ATOM 246 CB ASN A 16 -2.143 -9.448 -1.155 1.00 0.90 C ATOM 247 CG ASN A 16 -2.845 -10.594 -0.428 1.00 2.08 C ATOM 248 OD1 ASN A 16 -3.964 -10.464 0.022 1.00 2.90 O ATOM 249 ND2 ASN A 16 -2.245 -11.741 -0.292 1.00 3.27 N ATOM 0 H ASN A 16 -0.714 -7.250 -1.489 1.00 0.74 H new ATOM 0 HA ASN A 16 -3.249 -7.970 -0.052 1.00 0.75 H new ATOM 0 HB2 ASN A 16 -2.622 -9.261 -2.116 1.00 0.90 H new ATOM 0 HB3 ASN A 16 -1.106 -9.712 -1.362 1.00 0.90 H new ATOM 0 HD21 ASN A 16 -2.716 -12.509 0.186 1.00 3.27 H new ATOM 0 HD22 ASN A 16 -1.304 -11.871 -0.663 1.00 3.27 H new ATOM 256 N VAL A 17 -1.509 -7.428 1.883 1.00 1.17 N ATOM 257 CA VAL A 17 -0.843 -7.451 3.175 1.00 1.33 C ATOM 258 C VAL A 17 -0.805 -8.845 3.826 1.00 1.40 C ATOM 259 O VAL A 17 -1.744 -9.225 4.526 1.00 1.69 O ATOM 260 CB VAL A 17 -1.610 -6.427 4.020 1.00 1.56 C ATOM 261 CG1 VAL A 17 -1.316 -5.007 3.525 1.00 3.10 C ATOM 262 CG2 VAL A 17 -3.124 -6.645 3.961 1.00 1.34 C ATOM 0 H VAL A 17 -2.026 -6.567 1.705 1.00 1.17 H new ATOM 0 HA VAL A 17 0.213 -7.200 3.078 1.00 1.33 H new ATOM 0 HB VAL A 17 -1.275 -6.558 5.049 1.00 1.56 H new ATOM 0 HG11 VAL A 17 -1.866 -4.289 4.133 1.00 3.10 H new ATOM 0 HG12 VAL A 17 -0.247 -4.807 3.606 1.00 3.10 H new ATOM 0 HG13 VAL A 17 -1.625 -4.913 2.484 1.00 3.10 H new ATOM 0 HG21 VAL A 17 -3.624 -5.896 4.575 1.00 1.34 H new ATOM 0 HG22 VAL A 17 -3.465 -6.555 2.930 1.00 1.34 H new ATOM 0 HG23 VAL A 17 -3.363 -7.640 4.336 1.00 1.34 H new ATOM 272 N GLU A 18 0.275 -9.567 3.558 1.00 1.42 N ATOM 273 CA GLU A 18 0.437 -10.932 4.128 1.00 1.52 C ATOM 274 C GLU A 18 -0.094 -10.982 5.558 1.00 1.18 C ATOM 275 O GLU A 18 -1.024 -11.716 5.844 1.00 1.29 O ATOM 276 CB GLU A 18 1.926 -11.318 4.125 1.00 1.86 C ATOM 277 CG GLU A 18 2.316 -11.998 2.802 1.00 2.41 C ATOM 278 CD GLU A 18 3.728 -12.594 2.936 1.00 4.33 C ATOM 279 OE1 GLU A 18 3.836 -13.562 3.670 1.00 5.03 O ATOM 280 OE2 GLU A 18 4.618 -12.036 2.318 1.00 5.53 O ATOM 0 H GLU A 18 1.045 -9.255 2.966 1.00 1.42 H new ATOM 0 HA GLU A 18 -0.130 -11.634 3.516 1.00 1.52 H new ATOM 0 HB2 GLU A 18 2.537 -10.427 4.274 1.00 1.86 H new ATOM 0 HB3 GLU A 18 2.133 -11.990 4.958 1.00 1.86 H new ATOM 0 HG2 GLU A 18 1.599 -12.782 2.557 1.00 2.41 H new ATOM 0 HG3 GLU A 18 2.289 -11.276 1.986 1.00 2.41 H new ATOM 287 N ASP A 19 0.471 -10.153 6.400 1.00 1.00 N ATOM 288 CA ASP A 19 0.045 -10.132 7.823 1.00 1.01 C ATOM 289 C ASP A 19 0.105 -8.713 8.371 1.00 0.91 C ATOM 290 O ASP A 19 0.062 -7.722 7.656 1.00 1.01 O ATOM 291 CB ASP A 19 0.972 -11.012 8.696 1.00 1.23 C ATOM 292 CG ASP A 19 0.143 -11.785 9.733 1.00 2.88 C ATOM 293 OD1 ASP A 19 -0.737 -11.157 10.300 1.00 4.19 O ATOM 294 OD2 ASP A 19 0.441 -12.956 9.910 1.00 3.84 O ATOM 0 H ASP A 19 1.209 -9.491 6.158 1.00 1.00 H new ATOM 0 HA ASP A 19 -0.974 -10.517 7.860 1.00 1.01 H new ATOM 0 HB2 ASP A 19 1.523 -11.710 8.066 1.00 1.23 H new ATOM 0 HB3 ASP A 19 1.710 -10.388 9.201 1.00 1.23 H new ATOM 299 N GLU A 20 0.265 -8.691 9.654 1.00 1.00 N ATOM 300 CA GLU A 20 0.344 -7.429 10.420 1.00 1.02 C ATOM 301 C GLU A 20 1.530 -6.590 9.934 1.00 1.05 C ATOM 302 O GLU A 20 1.423 -5.383 9.775 1.00 1.08 O ATOM 303 CB GLU A 20 0.516 -7.825 11.888 1.00 1.14 C ATOM 304 CG GLU A 20 -0.763 -8.514 12.415 1.00 1.89 C ATOM 305 CD GLU A 20 -1.719 -7.479 13.026 1.00 2.44 C ATOM 306 OE1 GLU A 20 -2.130 -6.612 12.267 1.00 3.30 O ATOM 307 OE2 GLU A 20 -1.989 -7.618 14.219 1.00 3.09 O ATOM 0 H GLU A 20 0.348 -9.531 10.227 1.00 1.00 H new ATOM 0 HA GLU A 20 -0.551 -6.822 10.287 1.00 1.02 H new ATOM 0 HB2 GLU A 20 1.368 -8.497 11.992 1.00 1.14 H new ATOM 0 HB3 GLU A 20 0.733 -6.940 12.487 1.00 1.14 H new ATOM 0 HG2 GLU A 20 -1.261 -9.041 11.601 1.00 1.89 H new ATOM 0 HG3 GLU A 20 -0.499 -9.260 13.164 1.00 1.89 H new ATOM 314 N ASN A 21 2.652 -7.245 9.747 1.00 1.15 N ATOM 315 CA ASN A 21 3.871 -6.523 9.255 1.00 1.29 C ATOM 316 C ASN A 21 3.494 -5.630 8.072 1.00 1.15 C ATOM 317 O ASN A 21 3.769 -4.448 8.064 1.00 1.16 O ATOM 318 CB ASN A 21 4.936 -7.528 8.789 1.00 1.44 C ATOM 319 CG ASN A 21 6.216 -6.757 8.436 1.00 1.91 C ATOM 320 OD1 ASN A 21 7.023 -6.465 9.290 1.00 2.66 O ATOM 321 ND2 ASN A 21 6.416 -6.371 7.210 1.00 2.15 N ATOM 0 H ASN A 21 2.777 -8.244 9.913 1.00 1.15 H new ATOM 0 HA ASN A 21 4.270 -5.922 10.072 1.00 1.29 H new ATOM 0 HB2 ASN A 21 5.138 -8.257 9.574 1.00 1.44 H new ATOM 0 HB3 ASN A 21 4.578 -8.084 7.922 1.00 1.44 H new ATOM 0 HD21 ASN A 21 7.247 -5.828 6.976 1.00 2.15 H new ATOM 0 HD22 ASN A 21 5.742 -6.612 6.483 1.00 2.15 H new ATOM 328 N ASP A 22 2.850 -6.239 7.110 1.00 1.05 N ATOM 329 CA ASP A 22 2.422 -5.505 5.885 1.00 0.94 C ATOM 330 C ASP A 22 1.581 -4.305 6.270 1.00 0.88 C ATOM 331 O ASP A 22 1.796 -3.210 5.806 1.00 1.02 O ATOM 332 CB ASP A 22 1.566 -6.425 5.009 1.00 0.88 C ATOM 333 CG ASP A 22 2.319 -7.708 4.688 1.00 2.13 C ATOM 334 OD1 ASP A 22 2.614 -8.405 5.645 1.00 3.62 O ATOM 335 OD2 ASP A 22 2.504 -7.943 3.509 1.00 2.60 O ATOM 0 H ASP A 22 2.600 -7.228 7.123 1.00 1.05 H new ATOM 0 HA ASP A 22 3.311 -5.182 5.343 1.00 0.94 H new ATOM 0 HB2 ASP A 22 0.634 -6.662 5.522 1.00 0.88 H new ATOM 0 HB3 ASP A 22 1.299 -5.912 4.085 1.00 0.88 H new ATOM 340 N ILE A 23 0.603 -4.555 7.092 1.00 0.79 N ATOM 341 CA ILE A 23 -0.280 -3.439 7.523 1.00 0.87 C ATOM 342 C ILE A 23 0.587 -2.340 8.143 1.00 1.03 C ATOM 343 O ILE A 23 0.303 -1.158 8.004 1.00 1.35 O ATOM 344 CB ILE A 23 -1.317 -3.992 8.510 1.00 0.93 C ATOM 345 CG1 ILE A 23 -2.134 -5.068 7.769 1.00 0.85 C ATOM 346 CG2 ILE A 23 -2.243 -2.853 8.960 1.00 1.16 C ATOM 347 CD1 ILE A 23 -2.989 -5.891 8.741 1.00 0.95 C ATOM 0 H ILE A 23 0.378 -5.471 7.480 1.00 0.79 H new ATOM 0 HA ILE A 23 -0.818 -3.003 6.681 1.00 0.87 H new ATOM 0 HB ILE A 23 -0.833 -4.419 9.388 1.00 0.93 H new ATOM 0 HG12 ILE A 23 -2.778 -4.593 7.029 1.00 0.85 H new ATOM 0 HG13 ILE A 23 -1.459 -5.730 7.226 1.00 0.85 H new ATOM 0 HG21 ILE A 23 -2.982 -3.240 9.661 1.00 1.16 H new ATOM 0 HG22 ILE A 23 -1.654 -2.076 9.446 1.00 1.16 H new ATOM 0 HG23 ILE A 23 -2.752 -2.433 8.092 1.00 1.16 H new ATOM 0 HD11 ILE A 23 -3.552 -6.641 8.185 1.00 0.95 H new ATOM 0 HD12 ILE A 23 -2.342 -6.386 9.465 1.00 0.95 H new ATOM 0 HD13 ILE A 23 -3.681 -5.232 9.265 1.00 0.95 H new ATOM 359 N SER A 24 1.671 -2.763 8.749 1.00 0.87 N ATOM 360 CA SER A 24 2.599 -1.775 9.380 1.00 1.03 C ATOM 361 C SER A 24 3.426 -1.097 8.275 1.00 0.95 C ATOM 362 O SER A 24 3.221 0.069 8.008 1.00 1.31 O ATOM 363 CB SER A 24 3.533 -2.496 10.370 1.00 1.18 C ATOM 364 OG SER A 24 2.665 -3.269 11.198 1.00 1.53 O ATOM 0 H SER A 24 1.950 -3.740 8.833 1.00 0.87 H new ATOM 0 HA SER A 24 2.027 -1.023 9.924 1.00 1.03 H new ATOM 0 HB2 SER A 24 4.249 -3.130 9.847 1.00 1.18 H new ATOM 0 HB3 SER A 24 4.110 -1.783 10.959 1.00 1.18 H new ATOM 0 HG SER A 24 2.383 -4.074 10.715 1.00 1.53 H new ATOM 370 N GLU A 25 4.302 -1.846 7.630 1.00 0.76 N ATOM 371 CA GLU A 25 5.136 -1.260 6.536 1.00 0.79 C ATOM 372 C GLU A 25 4.264 -0.449 5.574 1.00 0.69 C ATOM 373 O GLU A 25 4.648 0.608 5.124 1.00 0.76 O ATOM 374 CB GLU A 25 5.851 -2.384 5.769 1.00 0.96 C ATOM 375 CG GLU A 25 7.269 -2.574 6.335 1.00 1.41 C ATOM 376 CD GLU A 25 8.078 -3.503 5.424 1.00 1.75 C ATOM 377 OE1 GLU A 25 8.279 -3.116 4.274 1.00 2.76 O ATOM 378 OE2 GLU A 25 8.447 -4.551 5.932 1.00 2.51 O ATOM 0 H GLU A 25 4.470 -2.834 7.819 1.00 0.76 H new ATOM 0 HA GLU A 25 5.878 -0.595 6.979 1.00 0.79 H new ATOM 0 HB2 GLU A 25 5.287 -3.313 5.855 1.00 0.96 H new ATOM 0 HB3 GLU A 25 5.902 -2.139 4.708 1.00 0.96 H new ATOM 0 HG2 GLU A 25 7.768 -1.609 6.419 1.00 1.41 H new ATOM 0 HG3 GLU A 25 7.215 -2.993 7.340 1.00 1.41 H new ATOM 385 N LEU A 26 3.108 -0.970 5.271 1.00 0.72 N ATOM 386 CA LEU A 26 2.202 -0.257 4.363 1.00 0.75 C ATOM 387 C LEU A 26 1.858 1.080 5.024 1.00 0.74 C ATOM 388 O LEU A 26 2.026 2.123 4.421 1.00 0.84 O ATOM 389 CB LEU A 26 0.978 -1.156 4.170 1.00 0.88 C ATOM 390 CG LEU A 26 -0.097 -0.418 3.396 1.00 0.85 C ATOM 391 CD1 LEU A 26 0.323 -0.239 1.928 1.00 1.64 C ATOM 392 CD2 LEU A 26 -1.405 -1.212 3.470 1.00 1.84 C ATOM 0 H LEU A 26 2.761 -1.863 5.620 1.00 0.72 H new ATOM 0 HA LEU A 26 2.633 -0.046 3.384 1.00 0.75 H new ATOM 0 HB2 LEU A 26 1.264 -2.062 3.636 1.00 0.88 H new ATOM 0 HB3 LEU A 26 0.590 -1.467 5.140 1.00 0.88 H new ATOM 0 HG LEU A 26 -0.240 0.569 3.836 1.00 0.85 H new ATOM 0 HD11 LEU A 26 -0.460 0.292 1.388 1.00 1.64 H new ATOM 0 HD12 LEU A 26 1.249 0.334 1.882 1.00 1.64 H new ATOM 0 HD13 LEU A 26 0.479 -1.217 1.472 1.00 1.64 H new ATOM 0 HD21 LEU A 26 -2.182 -0.686 2.915 1.00 1.84 H new ATOM 0 HD22 LEU A 26 -1.255 -2.201 3.036 1.00 1.84 H new ATOM 0 HD23 LEU A 26 -1.710 -1.315 4.511 1.00 1.84 H new ATOM 404 N HIS A 27 1.395 1.020 6.251 1.00 0.77 N ATOM 405 CA HIS A 27 1.066 2.286 6.979 1.00 0.94 C ATOM 406 C HIS A 27 2.260 3.238 6.919 1.00 0.82 C ATOM 407 O HIS A 27 2.096 4.435 6.797 1.00 0.93 O ATOM 408 CB HIS A 27 0.749 1.975 8.448 1.00 1.19 C ATOM 409 CG HIS A 27 -0.739 1.809 8.732 1.00 1.34 C ATOM 410 ND1 HIS A 27 -1.256 2.203 9.863 1.00 1.58 N ATOM 411 CD2 HIS A 27 -1.761 1.267 7.997 1.00 2.06 C ATOM 412 CE1 HIS A 27 -2.537 1.929 9.854 1.00 1.79 C ATOM 413 NE2 HIS A 27 -2.839 1.360 8.712 1.00 2.05 N ATOM 0 H HIS A 27 1.232 0.160 6.774 1.00 0.77 H new ATOM 0 HA HIS A 27 0.199 2.750 6.508 1.00 0.94 H new ATOM 0 HB2 HIS A 27 1.269 1.062 8.737 1.00 1.19 H new ATOM 0 HB3 HIS A 27 1.142 2.777 9.073 1.00 1.19 H new ATOM 0 HD1 HIS A 27 -0.748 2.650 10.626 1.00 1.58 H new ATOM 0 HD2 HIS A 27 -1.683 0.842 7.007 1.00 2.06 H new ATOM 0 HE1 HIS A 27 -3.230 2.137 10.655 1.00 1.79 H new ATOM 421 N GLU A 28 3.429 2.669 7.019 1.00 0.75 N ATOM 422 CA GLU A 28 4.675 3.467 6.984 1.00 0.77 C ATOM 423 C GLU A 28 4.737 4.356 5.740 1.00 0.87 C ATOM 424 O GLU A 28 5.209 5.476 5.808 1.00 1.18 O ATOM 425 CB GLU A 28 5.847 2.483 6.993 1.00 0.81 C ATOM 426 CG GLU A 28 6.741 2.748 8.204 1.00 1.89 C ATOM 427 CD GLU A 28 5.971 2.397 9.482 1.00 3.28 C ATOM 428 OE1 GLU A 28 5.575 1.244 9.572 1.00 4.54 O ATOM 429 OE2 GLU A 28 5.826 3.299 10.295 1.00 3.83 O ATOM 0 H GLU A 28 3.570 1.664 7.125 1.00 0.75 H new ATOM 0 HA GLU A 28 4.714 4.130 7.848 1.00 0.77 H new ATOM 0 HB2 GLU A 28 5.473 1.460 7.023 1.00 0.81 H new ATOM 0 HB3 GLU A 28 6.425 2.584 6.074 1.00 0.81 H new ATOM 0 HG2 GLU A 28 7.651 2.152 8.137 1.00 1.89 H new ATOM 0 HG3 GLU A 28 7.046 3.794 8.224 1.00 1.89 H new ATOM 436 N LEU A 29 4.262 3.859 4.626 1.00 0.77 N ATOM 437 CA LEU A 29 4.311 4.687 3.377 1.00 0.96 C ATOM 438 C LEU A 29 3.503 5.982 3.567 1.00 1.24 C ATOM 439 O LEU A 29 3.796 6.999 2.959 1.00 1.73 O ATOM 440 CB LEU A 29 3.759 3.856 2.206 1.00 0.94 C ATOM 441 CG LEU A 29 3.817 4.643 0.877 1.00 1.21 C ATOM 442 CD1 LEU A 29 5.237 5.161 0.598 1.00 1.71 C ATOM 443 CD2 LEU A 29 3.403 3.702 -0.259 1.00 1.78 C ATOM 0 H LEU A 29 3.849 2.932 4.524 1.00 0.77 H new ATOM 0 HA LEU A 29 5.341 4.968 3.158 1.00 0.96 H new ATOM 0 HB2 LEU A 29 4.333 2.934 2.110 1.00 0.94 H new ATOM 0 HB3 LEU A 29 2.729 3.569 2.416 1.00 0.94 H new ATOM 0 HG LEU A 29 3.146 5.499 0.946 1.00 1.21 H new ATOM 0 HD11 LEU A 29 5.245 5.710 -0.343 1.00 1.71 H new ATOM 0 HD12 LEU A 29 5.549 5.822 1.407 1.00 1.71 H new ATOM 0 HD13 LEU A 29 5.925 4.318 0.533 1.00 1.71 H new ATOM 0 HD21 LEU A 29 3.437 4.239 -1.207 1.00 1.78 H new ATOM 0 HD22 LEU A 29 4.087 2.854 -0.297 1.00 1.78 H new ATOM 0 HD23 LEU A 29 2.389 3.342 -0.082 1.00 1.78 H new ATOM 455 N ALA A 30 2.557 5.947 4.475 1.00 1.26 N ATOM 456 CA ALA A 30 1.729 7.169 4.719 1.00 1.75 C ATOM 457 C ALA A 30 2.470 8.091 5.699 1.00 1.92 C ATOM 458 O ALA A 30 1.907 9.021 6.247 1.00 2.19 O ATOM 459 CB ALA A 30 0.372 6.759 5.308 1.00 1.88 C ATOM 0 H ALA A 30 2.325 5.137 5.050 1.00 1.26 H new ATOM 0 HA ALA A 30 1.563 7.698 3.780 1.00 1.75 H new ATOM 0 HB1 ALA A 30 -0.231 7.649 5.486 1.00 1.88 H new ATOM 0 HB2 ALA A 30 -0.146 6.104 4.607 1.00 1.88 H new ATOM 0 HB3 ALA A 30 0.528 6.233 6.250 1.00 1.88 H new ATOM 465 N SER A 31 3.730 7.794 5.887 1.00 2.25 N ATOM 466 CA SER A 31 4.584 8.610 6.797 1.00 2.67 C ATOM 467 C SER A 31 5.461 9.537 5.937 1.00 2.80 C ATOM 468 O SER A 31 6.008 10.516 6.412 1.00 3.47 O ATOM 469 CB SER A 31 5.456 7.645 7.618 1.00 3.05 C ATOM 470 OG SER A 31 5.964 8.425 8.693 1.00 3.97 O ATOM 0 H SER A 31 4.208 7.010 5.442 1.00 2.25 H new ATOM 0 HA SER A 31 3.984 9.219 7.473 1.00 2.67 H new ATOM 0 HB2 SER A 31 4.871 6.802 7.985 1.00 3.05 H new ATOM 0 HB3 SER A 31 6.264 7.233 7.014 1.00 3.05 H new ATOM 0 HG SER A 31 6.533 7.866 9.263 1.00 3.97 H new ATOM 476 N THR A 32 5.564 9.201 4.673 1.00 2.36 N ATOM 477 CA THR A 32 6.391 10.024 3.736 1.00 2.64 C ATOM 478 C THR A 32 5.587 10.392 2.482 1.00 2.53 C ATOM 479 O THR A 32 5.399 11.559 2.172 1.00 2.60 O ATOM 480 CB THR A 32 7.620 9.206 3.329 1.00 2.79 C ATOM 481 OG1 THR A 32 7.092 7.931 2.969 1.00 3.04 O ATOM 482 CG2 THR A 32 8.558 8.949 4.513 1.00 3.15 C ATOM 0 H THR A 32 5.110 8.391 4.250 1.00 2.36 H new ATOM 0 HA THR A 32 6.690 10.946 4.235 1.00 2.64 H new ATOM 0 HB THR A 32 8.175 9.729 2.550 1.00 2.79 H new ATOM 0 HG1 THR A 32 7.823 7.341 2.691 1.00 3.04 H new ATOM 0 HG21 THR A 32 9.416 8.366 4.178 1.00 3.15 H new ATOM 0 HG22 THR A 32 8.902 9.901 4.918 1.00 3.15 H new ATOM 0 HG23 THR A 32 8.024 8.398 5.287 1.00 3.15 H new ATOM 490 N ARG A 33 5.112 9.381 1.802 1.00 2.90 N ATOM 491 CA ARG A 33 4.333 9.633 0.559 1.00 3.05 C ATOM 492 C ARG A 33 2.855 9.369 0.827 1.00 1.95 C ATOM 493 O ARG A 33 2.316 8.358 0.415 1.00 2.88 O ATOM 494 CB ARG A 33 4.827 8.707 -0.566 1.00 4.69 C ATOM 495 CG ARG A 33 4.551 9.373 -1.927 1.00 5.74 C ATOM 496 CD ARG A 33 4.215 8.322 -2.995 1.00 6.98 C ATOM 497 NE ARG A 33 2.743 8.390 -3.268 1.00 6.99 N ATOM 498 CZ ARG A 33 2.311 8.867 -4.408 1.00 7.71 C ATOM 499 NH1 ARG A 33 2.685 8.302 -5.524 1.00 8.81 N ATOM 500 NH2 ARG A 33 1.544 9.921 -4.374 1.00 7.65 N ATOM 0 H ARG A 33 5.230 8.399 2.053 1.00 2.90 H new ATOM 0 HA ARG A 33 4.470 10.670 0.252 1.00 3.05 H new ATOM 0 HB2 ARG A 33 5.894 8.513 -0.452 1.00 4.69 H new ATOM 0 HB3 ARG A 33 4.320 7.744 -0.509 1.00 4.69 H new ATOM 0 HG2 ARG A 33 3.724 10.076 -1.831 1.00 5.74 H new ATOM 0 HG3 ARG A 33 5.423 9.947 -2.239 1.00 5.74 H new ATOM 0 HD2 ARG A 33 4.780 8.512 -3.907 1.00 6.98 H new ATOM 0 HD3 ARG A 33 4.492 7.326 -2.650 1.00 6.98 H new ATOM 0 HE ARG A 33 2.078 8.065 -2.566 1.00 6.99 H new ATOM 0 HH11 ARG A 33 3.309 7.495 -5.503 1.00 8.81 H new ATOM 0 HH12 ARG A 33 2.353 8.667 -6.417 1.00 8.81 H new ATOM 0 HH21 ARG A 33 1.300 10.345 -3.479 1.00 7.65 H new ATOM 0 HH22 ARG A 33 1.188 10.321 -5.242 1.00 7.65 H new ATOM 514 N GLN A 34 2.248 10.261 1.564 1.00 1.97 N ATOM 515 CA GLN A 34 0.794 10.108 1.870 1.00 2.94 C ATOM 516 C GLN A 34 0.020 9.820 0.573 1.00 2.52 C ATOM 517 O GLN A 34 0.319 10.390 -0.462 1.00 2.56 O ATOM 518 CB GLN A 34 0.295 11.419 2.524 1.00 4.46 C ATOM 519 CG GLN A 34 -1.241 11.541 2.458 1.00 5.44 C ATOM 520 CD GLN A 34 -1.914 10.413 3.248 1.00 7.32 C ATOM 521 OE1 GLN A 34 -1.513 9.270 3.187 1.00 7.79 O ATOM 522 NE2 GLN A 34 -2.953 10.680 3.985 1.00 8.95 N ATOM 0 H GLN A 34 2.693 11.086 1.966 1.00 1.97 H new ATOM 0 HA GLN A 34 0.633 9.275 2.554 1.00 2.94 H new ATOM 0 HB2 GLN A 34 0.618 11.453 3.564 1.00 4.46 H new ATOM 0 HB3 GLN A 34 0.750 12.273 2.021 1.00 4.46 H new ATOM 0 HG2 GLN A 34 -1.551 12.506 2.859 1.00 5.44 H new ATOM 0 HG3 GLN A 34 -1.568 11.508 1.419 1.00 5.44 H new ATOM 0 HE21 GLN A 34 -3.302 11.636 4.047 1.00 8.95 H new ATOM 0 HE22 GLN A 34 -3.418 9.933 4.501 1.00 8.95 H new ATOM 531 N ILE A 35 -0.951 8.943 0.647 1.00 2.30 N ATOM 532 CA ILE A 35 -1.761 8.623 -0.574 1.00 1.96 C ATOM 533 C ILE A 35 -3.224 8.438 -0.162 1.00 1.81 C ATOM 534 O ILE A 35 -3.575 8.634 0.983 1.00 2.02 O ATOM 535 CB ILE A 35 -1.267 7.329 -1.268 1.00 1.65 C ATOM 536 CG1 ILE A 35 0.186 7.022 -0.881 1.00 1.54 C ATOM 537 CG2 ILE A 35 -1.333 7.535 -2.796 1.00 2.46 C ATOM 538 CD1 ILE A 35 0.622 5.693 -1.514 1.00 1.96 C ATOM 0 H ILE A 35 -1.218 8.437 1.492 1.00 2.30 H new ATOM 0 HA ILE A 35 -1.654 9.447 -1.279 1.00 1.96 H new ATOM 0 HB ILE A 35 -1.899 6.498 -0.955 1.00 1.65 H new ATOM 0 HG12 ILE A 35 0.839 7.827 -1.217 1.00 1.54 H new ATOM 0 HG13 ILE A 35 0.279 6.967 0.204 1.00 1.54 H new ATOM 0 HG21 ILE A 35 -0.988 6.632 -3.300 1.00 2.46 H new ATOM 0 HG22 ILE A 35 -2.361 7.745 -3.091 1.00 2.46 H new ATOM 0 HG23 ILE A 35 -0.696 8.374 -3.078 1.00 2.46 H new ATOM 0 HD11 ILE A 35 1.654 5.479 -1.237 1.00 1.96 H new ATOM 0 HD12 ILE A 35 -0.023 4.891 -1.157 1.00 1.96 H new ATOM 0 HD13 ILE A 35 0.545 5.764 -2.599 1.00 1.96 H new ATOM 550 N ASP A 36 -4.027 8.052 -1.109 1.00 1.59 N ATOM 551 CA ASP A 36 -5.473 7.836 -0.854 1.00 1.49 C ATOM 552 C ASP A 36 -5.834 6.372 -1.117 1.00 1.20 C ATOM 553 O ASP A 36 -5.416 5.805 -2.112 1.00 1.26 O ATOM 554 CB ASP A 36 -6.280 8.773 -1.790 1.00 1.63 C ATOM 555 CG ASP A 36 -5.707 8.798 -3.224 1.00 1.86 C ATOM 556 OD1 ASP A 36 -4.533 9.128 -3.351 1.00 2.93 O ATOM 557 OD2 ASP A 36 -6.472 8.543 -4.138 1.00 2.76 O ATOM 0 H ASP A 36 -3.735 7.873 -2.070 1.00 1.59 H new ATOM 0 HA ASP A 36 -5.712 8.063 0.185 1.00 1.49 H new ATOM 0 HB2 ASP A 36 -7.319 8.446 -1.821 1.00 1.63 H new ATOM 0 HB3 ASP A 36 -6.276 9.783 -1.381 1.00 1.63 H new ATOM 562 N PHE A 37 -6.592 5.781 -0.223 1.00 1.22 N ATOM 563 CA PHE A 37 -6.991 4.358 -0.434 1.00 0.99 C ATOM 564 C PHE A 37 -8.446 4.378 -0.878 1.00 1.10 C ATOM 565 O PHE A 37 -9.202 5.235 -0.462 1.00 1.64 O ATOM 566 CB PHE A 37 -6.812 3.555 0.863 1.00 1.13 C ATOM 567 CG PHE A 37 -5.307 3.326 1.095 1.00 0.98 C ATOM 568 CD1 PHE A 37 -4.481 4.381 1.440 1.00 1.18 C ATOM 569 CD2 PHE A 37 -4.748 2.066 0.932 1.00 1.36 C ATOM 570 CE1 PHE A 37 -3.127 4.184 1.613 1.00 1.35 C ATOM 571 CE2 PHE A 37 -3.390 1.871 1.109 1.00 1.49 C ATOM 572 CZ PHE A 37 -2.578 2.930 1.451 1.00 1.32 C ATOM 0 H PHE A 37 -6.945 6.216 0.629 1.00 1.22 H new ATOM 0 HA PHE A 37 -6.369 3.876 -1.188 1.00 0.99 H new ATOM 0 HB2 PHE A 37 -7.247 4.094 1.705 1.00 1.13 H new ATOM 0 HB3 PHE A 37 -7.333 2.600 0.792 1.00 1.13 H new ATOM 0 HD1 PHE A 37 -4.900 5.367 1.575 1.00 1.18 H new ATOM 0 HD2 PHE A 37 -5.379 1.231 0.665 1.00 1.36 H new ATOM 0 HE1 PHE A 37 -2.493 5.017 1.877 1.00 1.35 H new ATOM 0 HE2 PHE A 37 -2.965 0.887 0.979 1.00 1.49 H new ATOM 0 HZ PHE A 37 -1.518 2.779 1.591 1.00 1.32 H new ATOM 582 N TRP A 38 -8.800 3.471 -1.744 1.00 0.85 N ATOM 583 CA TRP A 38 -10.202 3.451 -2.257 1.00 1.01 C ATOM 584 C TRP A 38 -10.933 2.200 -1.776 1.00 0.92 C ATOM 585 O TRP A 38 -12.096 2.269 -1.438 1.00 1.13 O ATOM 586 CB TRP A 38 -10.140 3.524 -3.790 1.00 1.26 C ATOM 587 CG TRP A 38 -9.591 4.844 -4.365 1.00 2.25 C ATOM 588 CD1 TRP A 38 -8.870 5.793 -3.689 1.00 3.63 C ATOM 589 CD2 TRP A 38 -9.655 5.339 -5.650 1.00 2.92 C ATOM 590 NE1 TRP A 38 -8.527 6.754 -4.479 1.00 4.88 N ATOM 591 CE2 TRP A 38 -8.978 6.547 -5.693 1.00 4.42 C ATOM 592 CE3 TRP A 38 -10.253 4.823 -6.783 1.00 2.92 C ATOM 593 CZ2 TRP A 38 -8.885 7.265 -6.856 1.00 5.38 C ATOM 594 CZ3 TRP A 38 -10.152 5.558 -7.958 1.00 3.87 C ATOM 595 CH2 TRP A 38 -9.474 6.767 -7.997 1.00 4.92 C ATOM 0 H TRP A 38 -8.186 2.747 -2.118 1.00 0.85 H new ATOM 0 HA TRP A 38 -10.764 4.303 -1.876 1.00 1.01 H new ATOM 0 HB2 TRP A 38 -9.520 2.704 -4.152 1.00 1.26 H new ATOM 0 HB3 TRP A 38 -11.143 3.364 -4.186 1.00 1.26 H new ATOM 0 HD1 TRP A 38 -8.623 5.744 -2.639 1.00 3.63 H new ATOM 0 HE1 TRP A 38 -7.978 7.566 -4.197 1.00 4.88 H new ATOM 0 HE3 TRP A 38 -10.781 3.881 -6.757 1.00 2.92 H new ATOM 0 HZ2 TRP A 38 -8.358 8.207 -6.878 1.00 5.38 H new ATOM 0 HZ3 TRP A 38 -10.611 5.180 -8.859 1.00 3.87 H new ATOM 0 HH2 TRP A 38 -9.408 7.319 -8.923 1.00 4.92 H new ATOM 606 N LYS A 39 -10.254 1.081 -1.786 1.00 0.83 N ATOM 607 CA LYS A 39 -10.906 -0.173 -1.296 1.00 0.98 C ATOM 608 C LYS A 39 -10.017 -0.782 -0.204 1.00 0.91 C ATOM 609 O LYS A 39 -8.804 -0.669 -0.273 1.00 0.98 O ATOM 610 CB LYS A 39 -11.090 -1.184 -2.442 1.00 1.20 C ATOM 611 CG LYS A 39 -12.024 -0.592 -3.512 1.00 2.01 C ATOM 612 CD LYS A 39 -11.223 0.293 -4.485 1.00 3.31 C ATOM 613 CE LYS A 39 -10.932 -0.485 -5.772 1.00 3.68 C ATOM 614 NZ LYS A 39 -12.207 -0.742 -6.505 1.00 4.31 N ATOM 0 H LYS A 39 -9.291 0.980 -2.107 1.00 0.83 H new ATOM 0 HA LYS A 39 -11.893 0.064 -0.899 1.00 0.98 H new ATOM 0 HB2 LYS A 39 -10.124 -1.427 -2.884 1.00 1.20 H new ATOM 0 HB3 LYS A 39 -11.507 -2.114 -2.056 1.00 1.20 H new ATOM 0 HG2 LYS A 39 -12.516 -1.395 -4.060 1.00 2.01 H new ATOM 0 HG3 LYS A 39 -12.808 -0.004 -3.036 1.00 2.01 H new ATOM 0 HD2 LYS A 39 -11.785 1.198 -4.715 1.00 3.31 H new ATOM 0 HD3 LYS A 39 -10.289 0.608 -4.020 1.00 3.31 H new ATOM 0 HE2 LYS A 39 -10.246 0.081 -6.403 1.00 3.68 H new ATOM 0 HE3 LYS A 39 -10.441 -1.429 -5.535 1.00 3.68 H new ATOM 0 HZ1 LYS A 39 -12.017 -0.785 -7.527 1.00 4.31 H new ATOM 0 HZ2 LYS A 39 -12.613 -1.646 -6.190 1.00 4.31 H new ATOM 0 HZ3 LYS A 39 -12.880 0.026 -6.310 1.00 4.31 H new ATOM 628 N PRO A 40 -10.621 -1.411 0.783 1.00 1.30 N ATOM 629 CA PRO A 40 -12.091 -1.616 0.884 1.00 2.27 C ATOM 630 C PRO A 40 -12.769 -0.323 1.344 1.00 2.86 C ATOM 631 O PRO A 40 -13.547 0.267 0.626 1.00 3.95 O ATOM 632 CB PRO A 40 -12.226 -2.723 1.936 1.00 2.81 C ATOM 633 CG PRO A 40 -10.942 -2.646 2.795 1.00 1.91 C ATOM 634 CD PRO A 40 -9.864 -2.000 1.910 1.00 1.38 C ATOM 0 HA PRO A 40 -12.562 -1.884 -0.062 1.00 2.27 H new ATOM 0 HB2 PRO A 40 -13.116 -2.574 2.548 1.00 2.81 H new ATOM 0 HB3 PRO A 40 -12.323 -3.701 1.465 1.00 2.81 H new ATOM 0 HG2 PRO A 40 -11.112 -2.054 3.694 1.00 1.91 H new ATOM 0 HG3 PRO A 40 -10.633 -3.639 3.121 1.00 1.91 H new ATOM 0 HD2 PRO A 40 -9.305 -1.239 2.455 1.00 1.38 H new ATOM 0 HD3 PRO A 40 -9.141 -2.737 1.561 1.00 1.38 H new ATOM 642 N ASP A 41 -12.460 0.066 2.540 1.00 2.68 N ATOM 643 CA ASP A 41 -13.030 1.319 3.116 1.00 3.45 C ATOM 644 C ASP A 41 -11.852 2.228 3.456 1.00 3.01 C ATOM 645 O ASP A 41 -11.654 3.259 2.842 1.00 3.36 O ATOM 646 CB ASP A 41 -13.857 0.978 4.375 1.00 4.39 C ATOM 647 CG ASP A 41 -13.431 -0.383 4.943 1.00 5.03 C ATOM 648 OD1 ASP A 41 -12.346 -0.428 5.493 1.00 4.96 O ATOM 649 OD2 ASP A 41 -14.199 -1.311 4.767 1.00 6.19 O ATOM 0 H ASP A 41 -11.825 -0.436 3.160 1.00 2.68 H new ATOM 0 HA ASP A 41 -13.696 1.820 2.414 1.00 3.45 H new ATOM 0 HB2 ASP A 41 -13.719 1.753 5.129 1.00 4.39 H new ATOM 0 HB3 ASP A 41 -14.918 0.960 4.127 1.00 4.39 H new ATOM 654 N SER A 42 -11.089 1.797 4.414 1.00 2.62 N ATOM 655 CA SER A 42 -9.880 2.548 4.843 1.00 2.42 C ATOM 656 C SER A 42 -8.712 1.562 4.864 1.00 2.41 C ATOM 657 O SER A 42 -8.854 0.418 4.478 1.00 3.12 O ATOM 658 CB SER A 42 -10.119 3.131 6.247 1.00 2.25 C ATOM 659 OG SER A 42 -8.874 3.728 6.633 1.00 2.40 O ATOM 0 H SER A 42 -11.256 0.934 4.932 1.00 2.62 H new ATOM 0 HA SER A 42 -9.662 3.371 4.163 1.00 2.42 H new ATOM 0 HB2 SER A 42 -10.921 3.870 6.234 1.00 2.25 H new ATOM 0 HB3 SER A 42 -10.415 2.352 6.950 1.00 2.25 H new ATOM 0 HG SER A 42 -9.047 4.575 7.094 1.00 2.40 H new ATOM 665 N VAL A 43 -7.591 2.033 5.298 1.00 1.97 N ATOM 666 CA VAL A 43 -6.375 1.174 5.400 1.00 1.97 C ATOM 667 C VAL A 43 -5.970 1.127 6.878 1.00 1.66 C ATOM 668 O VAL A 43 -5.515 0.117 7.376 1.00 1.99 O ATOM 669 CB VAL A 43 -5.264 1.775 4.517 1.00 2.48 C ATOM 670 CG1 VAL A 43 -5.020 3.251 4.879 1.00 2.82 C ATOM 671 CG2 VAL A 43 -3.962 0.977 4.705 1.00 2.44 C ATOM 0 H VAL A 43 -7.454 2.999 5.596 1.00 1.97 H new ATOM 0 HA VAL A 43 -6.560 0.159 5.050 1.00 1.97 H new ATOM 0 HB VAL A 43 -5.582 1.719 3.476 1.00 2.48 H new ATOM 0 HG11 VAL A 43 -4.232 3.656 4.244 1.00 2.82 H new ATOM 0 HG12 VAL A 43 -5.937 3.820 4.726 1.00 2.82 H new ATOM 0 HG13 VAL A 43 -4.718 3.324 5.924 1.00 2.82 H new ATOM 0 HG21 VAL A 43 -3.179 1.405 4.079 1.00 2.44 H new ATOM 0 HG22 VAL A 43 -3.656 1.021 5.750 1.00 2.44 H new ATOM 0 HG23 VAL A 43 -4.127 -0.062 4.419 1.00 2.44 H new ATOM 681 N THR A 44 -6.192 2.247 7.519 1.00 1.64 N ATOM 682 CA THR A 44 -5.891 2.432 8.972 1.00 1.87 C ATOM 683 C THR A 44 -5.967 1.133 9.781 1.00 1.86 C ATOM 684 O THR A 44 -5.003 0.707 10.386 1.00 2.72 O ATOM 685 CB THR A 44 -6.923 3.421 9.533 1.00 2.02 C ATOM 686 OG1 THR A 44 -8.202 2.902 9.145 1.00 1.78 O ATOM 687 CG2 THR A 44 -6.826 4.786 8.847 1.00 2.92 C ATOM 0 H THR A 44 -6.587 3.076 7.074 1.00 1.64 H new ATOM 0 HA THR A 44 -4.867 2.795 9.059 1.00 1.87 H new ATOM 0 HB THR A 44 -6.768 3.534 10.606 1.00 2.02 H new ATOM 0 HG1 THR A 44 -8.472 3.301 8.291 1.00 1.78 H new ATOM 0 HG21 THR A 44 -7.571 5.460 9.270 1.00 2.92 H new ATOM 0 HG22 THR A 44 -5.831 5.202 9.004 1.00 2.92 H new ATOM 0 HG23 THR A 44 -7.007 4.670 7.778 1.00 2.92 H new ATOM 695 N GLN A 45 -7.149 0.582 9.782 1.00 1.44 N ATOM 696 CA GLN A 45 -7.423 -0.673 10.533 1.00 1.94 C ATOM 697 C GLN A 45 -7.714 -1.839 9.585 1.00 1.51 C ATOM 698 O GLN A 45 -8.568 -2.669 9.870 1.00 1.98 O ATOM 699 CB GLN A 45 -8.644 -0.439 11.445 1.00 2.68 C ATOM 700 CG GLN A 45 -9.831 0.103 10.618 1.00 2.48 C ATOM 701 CD GLN A 45 -11.149 -0.428 11.191 1.00 3.06 C ATOM 702 OE1 GLN A 45 -11.405 -1.612 11.179 1.00 4.04 O ATOM 703 NE2 GLN A 45 -12.009 0.396 11.710 1.00 3.63 N ATOM 0 H GLN A 45 -7.954 0.959 9.282 1.00 1.44 H new ATOM 0 HA GLN A 45 -6.542 -0.931 11.121 1.00 1.94 H new ATOM 0 HB2 GLN A 45 -8.927 -1.372 11.933 1.00 2.68 H new ATOM 0 HB3 GLN A 45 -8.388 0.268 12.234 1.00 2.68 H new ATOM 0 HG2 GLN A 45 -9.830 1.193 10.634 1.00 2.48 H new ATOM 0 HG3 GLN A 45 -9.729 -0.200 9.576 1.00 2.48 H new ATOM 0 HE21 GLN A 45 -11.810 1.396 11.729 1.00 3.63 H new ATOM 0 HE22 GLN A 45 -12.883 0.043 12.099 1.00 3.63 H new ATOM 712 N ILE A 46 -7.026 -1.882 8.480 1.00 1.17 N ATOM 713 CA ILE A 46 -7.256 -3.006 7.533 1.00 1.11 C ATOM 714 C ILE A 46 -6.877 -4.288 8.290 1.00 1.11 C ATOM 715 O ILE A 46 -6.159 -4.220 9.273 1.00 1.10 O ATOM 716 CB ILE A 46 -6.387 -2.782 6.279 1.00 1.18 C ATOM 717 CG1 ILE A 46 -6.873 -3.654 5.108 1.00 2.17 C ATOM 718 CG2 ILE A 46 -4.924 -3.110 6.584 1.00 1.13 C ATOM 719 CD1 ILE A 46 -8.214 -3.121 4.579 1.00 2.55 C ATOM 0 H ILE A 46 -6.325 -1.199 8.194 1.00 1.17 H new ATOM 0 HA ILE A 46 -8.290 -3.077 7.194 1.00 1.11 H new ATOM 0 HB ILE A 46 -6.474 -1.733 5.994 1.00 1.18 H new ATOM 0 HG12 ILE A 46 -6.131 -3.652 4.310 1.00 2.17 H new ATOM 0 HG13 ILE A 46 -6.986 -4.687 5.436 1.00 2.17 H new ATOM 0 HG21 ILE A 46 -4.321 -2.948 5.691 1.00 1.13 H new ATOM 0 HG22 ILE A 46 -4.566 -2.464 7.386 1.00 1.13 H new ATOM 0 HG23 ILE A 46 -4.842 -4.152 6.893 1.00 1.13 H new ATOM 0 HD11 ILE A 46 -8.551 -3.743 3.750 1.00 2.55 H new ATOM 0 HD12 ILE A 46 -8.956 -3.146 5.377 1.00 2.55 H new ATOM 0 HD13 ILE A 46 -8.087 -2.095 4.234 1.00 2.55 H new ATOM 731 N LYS A 47 -7.334 -5.422 7.843 1.00 1.23 N ATOM 732 CA LYS A 47 -6.995 -6.660 8.603 1.00 1.31 C ATOM 733 C LYS A 47 -6.011 -7.557 7.826 1.00 0.99 C ATOM 734 O LYS A 47 -5.897 -7.453 6.609 1.00 0.92 O ATOM 735 CB LYS A 47 -8.309 -7.406 8.909 1.00 1.69 C ATOM 736 CG LYS A 47 -9.151 -6.613 9.942 1.00 2.59 C ATOM 737 CD LYS A 47 -10.027 -5.548 9.248 1.00 4.31 C ATOM 738 CE LYS A 47 -10.938 -4.840 10.274 1.00 5.72 C ATOM 739 NZ LYS A 47 -10.142 -4.017 11.237 1.00 6.51 N ATOM 0 H LYS A 47 -7.910 -5.548 7.011 1.00 1.23 H new ATOM 0 HA LYS A 47 -6.492 -6.391 9.532 1.00 1.31 H new ATOM 0 HB2 LYS A 47 -8.881 -7.541 7.991 1.00 1.69 H new ATOM 0 HB3 LYS A 47 -8.089 -8.401 9.296 1.00 1.69 H new ATOM 0 HG2 LYS A 47 -9.785 -7.300 10.503 1.00 2.59 H new ATOM 0 HG3 LYS A 47 -8.489 -6.131 10.661 1.00 2.59 H new ATOM 0 HD2 LYS A 47 -9.392 -4.815 8.751 1.00 4.31 H new ATOM 0 HD3 LYS A 47 -10.636 -6.018 8.476 1.00 4.31 H new ATOM 0 HE2 LYS A 47 -11.650 -4.202 9.751 1.00 5.72 H new ATOM 0 HE3 LYS A 47 -11.518 -5.583 10.821 1.00 5.72 H new ATOM 0 HZ1 LYS A 47 -10.646 -3.129 11.435 1.00 6.51 H new ATOM 0 HZ2 LYS A 47 -10.013 -4.547 12.123 1.00 6.51 H new ATOM 0 HZ3 LYS A 47 -9.212 -3.802 10.824 1.00 6.51 H new ATOM 753 N PRO A 48 -5.307 -8.407 8.561 1.00 1.00 N ATOM 754 CA PRO A 48 -4.196 -9.205 7.998 1.00 1.01 C ATOM 755 C PRO A 48 -4.683 -10.120 6.883 1.00 0.98 C ATOM 756 O PRO A 48 -5.824 -10.564 6.887 1.00 1.08 O ATOM 757 CB PRO A 48 -3.668 -10.027 9.180 1.00 1.26 C ATOM 758 CG PRO A 48 -4.213 -9.352 10.451 1.00 1.45 C ATOM 759 CD PRO A 48 -5.501 -8.637 10.021 1.00 1.45 C ATOM 0 HA PRO A 48 -3.427 -8.573 7.555 1.00 1.01 H new ATOM 0 HB2 PRO A 48 -4.003 -11.062 9.115 1.00 1.26 H new ATOM 0 HB3 PRO A 48 -2.578 -10.045 9.186 1.00 1.26 H new ATOM 0 HG2 PRO A 48 -4.415 -10.088 11.229 1.00 1.45 H new ATOM 0 HG3 PRO A 48 -3.491 -8.645 10.860 1.00 1.45 H new ATOM 0 HD2 PRO A 48 -6.382 -9.248 10.216 1.00 1.45 H new ATOM 0 HD3 PRO A 48 -5.637 -7.699 10.559 1.00 1.45 H new ATOM 767 N HIS A 49 -3.795 -10.383 5.966 1.00 1.45 N ATOM 768 CA HIS A 49 -4.118 -11.275 4.815 1.00 1.87 C ATOM 769 C HIS A 49 -5.228 -10.657 3.953 1.00 1.76 C ATOM 770 O HIS A 49 -5.994 -11.373 3.339 1.00 2.29 O ATOM 771 CB HIS A 49 -4.597 -12.656 5.320 1.00 2.11 C ATOM 772 CG HIS A 49 -4.108 -13.051 6.719 1.00 2.19 C ATOM 773 ND1 HIS A 49 -2.844 -13.145 7.002 1.00 3.68 N ATOM 774 CD2 HIS A 49 -4.786 -13.364 7.869 1.00 1.86 C ATOM 775 CE1 HIS A 49 -2.711 -13.501 8.260 1.00 3.81 C ATOM 776 NE2 HIS A 49 -3.902 -13.635 8.783 1.00 2.64 N ATOM 0 H HIS A 49 -2.845 -10.013 5.964 1.00 1.45 H new ATOM 0 HA HIS A 49 -3.213 -11.394 4.220 1.00 1.87 H new ATOM 0 HB2 HIS A 49 -5.687 -12.666 5.318 1.00 2.11 H new ATOM 0 HB3 HIS A 49 -4.270 -13.417 4.611 1.00 2.11 H new ATOM 0 HD1 HIS A 49 -2.077 -12.971 6.352 1.00 3.68 H new ATOM 0 HD2 HIS A 49 -5.859 -13.382 7.993 1.00 1.86 H new ATOM 0 HE1 HIS A 49 -1.775 -13.657 8.776 1.00 3.81 H new ATOM 784 N SER A 50 -5.307 -9.355 3.916 1.00 1.35 N ATOM 785 CA SER A 50 -6.375 -8.736 3.075 1.00 1.27 C ATOM 786 C SER A 50 -5.736 -8.041 1.876 1.00 1.29 C ATOM 787 O SER A 50 -4.531 -7.991 1.747 1.00 2.13 O ATOM 788 CB SER A 50 -7.184 -7.729 3.914 1.00 1.09 C ATOM 789 OG SER A 50 -6.323 -6.613 4.110 1.00 2.26 O ATOM 0 H SER A 50 -4.698 -8.707 4.416 1.00 1.35 H new ATOM 0 HA SER A 50 -7.053 -9.510 2.716 1.00 1.27 H new ATOM 0 HB2 SER A 50 -8.097 -7.433 3.398 1.00 1.09 H new ATOM 0 HB3 SER A 50 -7.484 -8.165 4.867 1.00 1.09 H new ATOM 0 HG SER A 50 -5.942 -6.648 5.012 1.00 2.26 H new ATOM 795 N THR A 51 -6.557 -7.556 1.005 1.00 0.97 N ATOM 796 CA THR A 51 -6.029 -6.854 -0.188 1.00 0.98 C ATOM 797 C THR A 51 -6.530 -5.415 -0.161 1.00 0.97 C ATOM 798 O THR A 51 -7.728 -5.209 -0.177 1.00 1.30 O ATOM 799 CB THR A 51 -6.529 -7.573 -1.447 1.00 1.26 C ATOM 800 OG1 THR A 51 -7.941 -7.667 -1.286 1.00 1.82 O ATOM 801 CG2 THR A 51 -6.057 -9.023 -1.510 1.00 1.78 C ATOM 0 H THR A 51 -7.574 -7.613 1.064 1.00 0.97 H new ATOM 0 HA THR A 51 -4.939 -6.856 -0.190 1.00 0.98 H new ATOM 0 HB THR A 51 -6.178 -7.034 -2.327 1.00 1.26 H new ATOM 0 HG1 THR A 51 -8.262 -6.905 -0.759 1.00 1.82 H new ATOM 0 HG21 THR A 51 -6.436 -9.490 -2.419 1.00 1.78 H new ATOM 0 HG22 THR A 51 -4.967 -9.051 -1.515 1.00 1.78 H new ATOM 0 HG23 THR A 51 -6.430 -9.565 -0.641 1.00 1.78 H new ATOM 809 N VAL A 52 -5.636 -4.458 -0.082 1.00 0.88 N ATOM 810 CA VAL A 52 -6.085 -3.028 -0.059 1.00 0.95 C ATOM 811 C VAL A 52 -5.884 -2.462 -1.472 1.00 0.88 C ATOM 812 O VAL A 52 -5.016 -2.929 -2.191 1.00 0.97 O ATOM 813 CB VAL A 52 -5.256 -2.217 0.965 1.00 1.14 C ATOM 814 CG1 VAL A 52 -6.174 -1.206 1.667 1.00 2.13 C ATOM 815 CG2 VAL A 52 -4.619 -3.143 2.024 1.00 1.50 C ATOM 0 H VAL A 52 -4.627 -4.601 -0.033 1.00 0.88 H new ATOM 0 HA VAL A 52 -7.132 -2.962 0.238 1.00 0.95 H new ATOM 0 HB VAL A 52 -4.457 -1.701 0.432 1.00 1.14 H new ATOM 0 HG11 VAL A 52 -5.596 -0.631 2.390 1.00 2.13 H new ATOM 0 HG12 VAL A 52 -6.605 -0.531 0.927 1.00 2.13 H new ATOM 0 HG13 VAL A 52 -6.974 -1.738 2.182 1.00 2.13 H new ATOM 0 HG21 VAL A 52 -4.042 -2.546 2.730 1.00 1.50 H new ATOM 0 HG22 VAL A 52 -5.404 -3.679 2.558 1.00 1.50 H new ATOM 0 HG23 VAL A 52 -3.961 -3.859 1.532 1.00 1.50 H new ATOM 825 N ASP A 53 -6.675 -1.479 -1.850 1.00 0.80 N ATOM 826 CA ASP A 53 -6.556 -0.902 -3.231 1.00 0.84 C ATOM 827 C ASP A 53 -6.452 0.627 -3.190 1.00 0.85 C ATOM 828 O ASP A 53 -7.400 1.308 -2.798 1.00 1.01 O ATOM 829 CB ASP A 53 -7.804 -1.256 -4.066 1.00 0.98 C ATOM 830 CG ASP A 53 -8.230 -2.724 -3.896 1.00 1.91 C ATOM 831 OD1 ASP A 53 -8.364 -3.148 -2.760 1.00 3.44 O ATOM 832 OD2 ASP A 53 -8.470 -3.329 -4.922 1.00 2.40 O ATOM 0 H ASP A 53 -7.394 -1.054 -1.264 1.00 0.80 H new ATOM 0 HA ASP A 53 -5.655 -1.323 -3.676 1.00 0.84 H new ATOM 0 HB2 ASP A 53 -8.629 -0.606 -3.774 1.00 0.98 H new ATOM 0 HB3 ASP A 53 -7.600 -1.060 -5.119 1.00 0.98 H new ATOM 837 N PHE A 54 -5.323 1.138 -3.637 1.00 0.96 N ATOM 838 CA PHE A 54 -5.096 2.617 -3.663 1.00 1.06 C ATOM 839 C PHE A 54 -4.671 3.012 -5.087 1.00 1.01 C ATOM 840 O PHE A 54 -4.214 2.158 -5.839 1.00 1.52 O ATOM 841 CB PHE A 54 -3.990 2.973 -2.651 1.00 1.53 C ATOM 842 CG PHE A 54 -2.625 2.417 -3.101 1.00 0.97 C ATOM 843 CD1 PHE A 54 -2.269 1.107 -2.825 1.00 1.28 C ATOM 844 CD2 PHE A 54 -1.727 3.226 -3.780 1.00 1.50 C ATOM 845 CE1 PHE A 54 -1.040 0.616 -3.223 1.00 1.87 C ATOM 846 CE2 PHE A 54 -0.497 2.737 -4.172 1.00 2.03 C ATOM 847 CZ PHE A 54 -0.152 1.433 -3.893 1.00 2.16 C ATOM 0 H PHE A 54 -4.543 0.583 -3.988 1.00 0.96 H new ATOM 0 HA PHE A 54 -6.004 3.156 -3.392 1.00 1.06 H new ATOM 0 HB2 PHE A 54 -3.927 4.056 -2.543 1.00 1.53 H new ATOM 0 HB3 PHE A 54 -4.246 2.569 -1.671 1.00 1.53 H new ATOM 0 HD1 PHE A 54 -2.957 0.465 -2.295 1.00 1.28 H new ATOM 0 HD2 PHE A 54 -1.992 4.249 -4.004 1.00 1.50 H new ATOM 0 HE1 PHE A 54 -0.774 -0.409 -3.009 1.00 1.87 H new ATOM 0 HE2 PHE A 54 0.195 3.378 -4.698 1.00 2.03 H new ATOM 0 HZ PHE A 54 0.811 1.051 -4.198 1.00 2.16 H new ATOM 857 N ARG A 55 -4.799 4.274 -5.443 1.00 1.16 N ATOM 858 CA ARG A 55 -4.393 4.667 -6.835 1.00 1.37 C ATOM 859 C ARG A 55 -3.432 5.858 -6.833 1.00 1.52 C ATOM 860 O ARG A 55 -3.576 6.805 -6.072 1.00 2.34 O ATOM 861 CB ARG A 55 -5.628 5.052 -7.670 1.00 2.19 C ATOM 862 CG ARG A 55 -5.202 5.199 -9.146 1.00 3.26 C ATOM 863 CD ARG A 55 -6.289 5.897 -9.968 1.00 4.16 C ATOM 864 NE ARG A 55 -5.868 5.859 -11.404 1.00 5.53 N ATOM 865 CZ ARG A 55 -5.467 6.949 -11.993 1.00 6.33 C ATOM 866 NH1 ARG A 55 -4.229 7.287 -11.864 1.00 6.89 N ATOM 867 NH2 ARG A 55 -6.315 7.642 -12.695 1.00 7.11 N ATOM 0 H ARG A 55 -5.155 5.025 -4.852 1.00 1.16 H new ATOM 0 HA ARG A 55 -3.892 3.802 -7.270 1.00 1.37 H new ATOM 0 HB2 ARG A 55 -6.401 4.290 -7.574 1.00 2.19 H new ATOM 0 HB3 ARG A 55 -6.054 5.986 -7.305 1.00 2.19 H new ATOM 0 HG2 ARG A 55 -4.275 5.769 -9.205 1.00 3.26 H new ATOM 0 HG3 ARG A 55 -4.998 4.215 -9.568 1.00 3.26 H new ATOM 0 HD2 ARG A 55 -7.248 5.396 -9.837 1.00 4.16 H new ATOM 0 HD3 ARG A 55 -6.419 6.927 -9.635 1.00 4.16 H new ATOM 0 HE ARG A 55 -5.895 4.980 -11.921 1.00 5.53 H new ATOM 0 HH11 ARG A 55 -3.596 6.706 -11.313 1.00 6.89 H new ATOM 0 HH12 ARG A 55 -3.882 8.135 -12.313 1.00 6.89 H new ATOM 0 HH21 ARG A 55 -7.282 7.330 -12.780 1.00 7.11 H new ATOM 0 HH22 ARG A 55 -6.013 8.497 -13.161 1.00 7.11 H new ATOM 881 N VAL A 56 -2.496 5.801 -7.736 1.00 1.72 N ATOM 882 CA VAL A 56 -1.505 6.884 -7.880 1.00 2.29 C ATOM 883 C VAL A 56 -1.811 7.612 -9.200 1.00 1.69 C ATOM 884 O VAL A 56 -2.397 7.017 -10.089 1.00 2.24 O ATOM 885 CB VAL A 56 -0.119 6.226 -7.908 1.00 3.53 C ATOM 886 CG1 VAL A 56 0.154 5.541 -6.555 1.00 4.67 C ATOM 887 CG2 VAL A 56 -0.038 5.163 -9.018 1.00 4.00 C ATOM 0 H VAL A 56 -2.379 5.029 -8.392 1.00 1.72 H new ATOM 0 HA VAL A 56 -1.539 7.606 -7.064 1.00 2.29 H new ATOM 0 HB VAL A 56 0.621 7.003 -8.100 1.00 3.53 H new ATOM 0 HG11 VAL A 56 1.139 5.074 -6.576 1.00 4.67 H new ATOM 0 HG12 VAL A 56 0.122 6.284 -5.758 1.00 4.67 H new ATOM 0 HG13 VAL A 56 -0.605 4.780 -6.373 1.00 4.67 H new ATOM 0 HG21 VAL A 56 0.954 4.711 -9.017 1.00 4.00 H new ATOM 0 HG22 VAL A 56 -0.788 4.392 -8.839 1.00 4.00 H new ATOM 0 HG23 VAL A 56 -0.223 5.632 -9.985 1.00 4.00 H new ATOM 897 N LYS A 57 -1.410 8.850 -9.328 1.00 1.73 N ATOM 898 CA LYS A 57 -1.709 9.595 -10.591 1.00 1.90 C ATOM 899 C LYS A 57 -0.414 10.131 -11.183 1.00 1.91 C ATOM 900 O LYS A 57 -0.325 11.284 -11.562 1.00 3.36 O ATOM 901 CB LYS A 57 -2.657 10.770 -10.292 1.00 3.06 C ATOM 902 CG LYS A 57 -3.870 10.297 -9.477 1.00 3.89 C ATOM 903 CD LYS A 57 -3.529 10.373 -7.982 1.00 3.63 C ATOM 904 CE LYS A 57 -4.600 9.672 -7.149 1.00 5.30 C ATOM 905 NZ LYS A 57 -4.113 9.539 -5.754 1.00 5.94 N ATOM 0 H LYS A 57 -0.894 9.375 -8.622 1.00 1.73 H new ATOM 0 HA LYS A 57 -2.185 8.919 -11.301 1.00 1.90 H new ATOM 0 HB2 LYS A 57 -2.122 11.544 -9.741 1.00 3.06 H new ATOM 0 HB3 LYS A 57 -2.993 11.219 -11.227 1.00 3.06 H new ATOM 0 HG2 LYS A 57 -4.737 10.919 -9.697 1.00 3.89 H new ATOM 0 HG3 LYS A 57 -4.133 9.275 -9.752 1.00 3.89 H new ATOM 0 HD2 LYS A 57 -2.559 9.910 -7.801 1.00 3.63 H new ATOM 0 HD3 LYS A 57 -3.447 11.416 -7.675 1.00 3.63 H new ATOM 0 HE2 LYS A 57 -5.528 10.243 -7.171 1.00 5.30 H new ATOM 0 HE3 LYS A 57 -4.820 8.690 -7.567 1.00 5.30 H new ATOM 0 HZ1 LYS A 57 -4.009 8.532 -5.517 1.00 5.94 H new ATOM 0 HZ2 LYS A 57 -3.192 10.013 -5.661 1.00 5.94 H new ATOM 0 HZ3 LYS A 57 -4.796 9.979 -5.105 1.00 5.94 H new ATOM 919 N ALA A 58 0.577 9.280 -11.200 1.00 1.50 N ATOM 920 CA ALA A 58 1.920 9.645 -11.758 1.00 1.51 C ATOM 921 C ALA A 58 2.665 10.657 -10.887 1.00 1.66 C ATOM 922 O ALA A 58 3.831 10.875 -11.121 1.00 2.14 O ATOM 923 CB ALA A 58 1.789 10.228 -13.169 1.00 1.87 C ATOM 0 H ALA A 58 0.514 8.326 -10.844 1.00 1.50 H new ATOM 0 HA ALA A 58 2.493 8.718 -11.782 1.00 1.51 H new ATOM 0 HB1 ALA A 58 2.778 10.484 -13.550 1.00 1.87 H new ATOM 0 HB2 ALA A 58 1.327 9.491 -13.826 1.00 1.87 H new ATOM 0 HB3 ALA A 58 1.169 11.124 -13.136 1.00 1.87 H new ATOM 929 N GLU A 59 2.014 11.245 -9.910 1.00 2.19 N ATOM 930 CA GLU A 59 2.742 12.257 -9.069 1.00 2.68 C ATOM 931 C GLU A 59 4.080 11.708 -8.532 1.00 2.12 C ATOM 932 O GLU A 59 5.130 12.301 -8.754 1.00 2.66 O ATOM 933 CB GLU A 59 1.824 12.738 -7.912 1.00 3.41 C ATOM 934 CG GLU A 59 1.588 11.681 -6.811 1.00 4.17 C ATOM 935 CD GLU A 59 0.736 10.526 -7.338 1.00 4.71 C ATOM 936 OE1 GLU A 59 -0.453 10.703 -7.339 1.00 5.22 O ATOM 937 OE2 GLU A 59 1.314 9.520 -7.712 1.00 5.31 O ATOM 0 H GLU A 59 1.039 11.077 -9.661 1.00 2.19 H new ATOM 0 HA GLU A 59 2.988 13.110 -9.702 1.00 2.68 H new ATOM 0 HB2 GLU A 59 2.264 13.626 -7.459 1.00 3.41 H new ATOM 0 HB3 GLU A 59 0.861 13.036 -8.327 1.00 3.41 H new ATOM 0 HG2 GLU A 59 2.545 11.300 -6.456 1.00 4.17 H new ATOM 0 HG3 GLU A 59 1.093 12.144 -5.957 1.00 4.17 H new ATOM 944 N ASP A 60 3.998 10.591 -7.853 1.00 1.75 N ATOM 945 CA ASP A 60 5.208 9.930 -7.253 1.00 1.80 C ATOM 946 C ASP A 60 5.058 8.412 -7.350 1.00 1.55 C ATOM 947 O ASP A 60 4.991 7.738 -6.327 1.00 2.11 O ATOM 948 CB ASP A 60 5.325 10.281 -5.756 1.00 2.62 C ATOM 949 CG ASP A 60 6.064 11.588 -5.548 1.00 4.14 C ATOM 950 OD1 ASP A 60 5.585 12.574 -6.047 1.00 4.71 O ATOM 951 OD2 ASP A 60 7.077 11.543 -4.877 1.00 5.40 O ATOM 0 H ASP A 60 3.123 10.095 -7.683 1.00 1.75 H new ATOM 0 HA ASP A 60 6.088 10.277 -7.794 1.00 1.80 H new ATOM 0 HB2 ASP A 60 4.329 10.351 -5.319 1.00 2.62 H new ATOM 0 HB3 ASP A 60 5.847 9.480 -5.233 1.00 2.62 H new ATOM 956 N ILE A 61 4.977 7.867 -8.524 1.00 1.10 N ATOM 957 CA ILE A 61 4.812 6.388 -8.554 1.00 1.01 C ATOM 958 C ILE A 61 6.153 5.719 -8.279 1.00 0.95 C ATOM 959 O ILE A 61 6.229 4.887 -7.402 1.00 1.49 O ATOM 960 CB ILE A 61 4.259 5.900 -9.899 1.00 1.18 C ATOM 961 CG1 ILE A 61 3.023 6.737 -10.274 1.00 1.60 C ATOM 962 CG2 ILE A 61 3.843 4.435 -9.707 1.00 1.67 C ATOM 963 CD1 ILE A 61 2.425 6.241 -11.599 1.00 2.23 C ATOM 0 H ILE A 61 5.015 8.347 -9.423 1.00 1.10 H new ATOM 0 HA ILE A 61 4.092 6.118 -7.782 1.00 1.01 H new ATOM 0 HB ILE A 61 5.003 5.996 -10.690 1.00 1.18 H new ATOM 0 HG12 ILE A 61 2.276 6.670 -9.483 1.00 1.60 H new ATOM 0 HG13 ILE A 61 3.300 7.787 -10.363 1.00 1.60 H new ATOM 0 HG21 ILE A 61 3.442 4.045 -10.643 1.00 1.67 H new ATOM 0 HG22 ILE A 61 4.711 3.846 -9.411 1.00 1.67 H new ATOM 0 HG23 ILE A 61 3.080 4.372 -8.931 1.00 1.67 H new ATOM 0 HD11 ILE A 61 1.552 6.842 -11.852 1.00 2.23 H new ATOM 0 HD12 ILE A 61 3.169 6.331 -12.390 1.00 2.23 H new ATOM 0 HD13 ILE A 61 2.129 5.197 -11.497 1.00 2.23 H new ATOM 975 N LEU A 62 7.157 6.070 -9.045 1.00 0.96 N ATOM 976 CA LEU A 62 8.520 5.459 -8.841 1.00 0.97 C ATOM 977 C LEU A 62 8.763 5.109 -7.359 1.00 0.91 C ATOM 978 O LEU A 62 9.024 3.971 -7.035 1.00 1.11 O ATOM 979 CB LEU A 62 9.616 6.426 -9.322 1.00 1.22 C ATOM 980 CG LEU A 62 9.372 6.835 -10.785 1.00 2.21 C ATOM 981 CD1 LEU A 62 10.460 7.811 -11.237 1.00 3.09 C ATOM 982 CD2 LEU A 62 9.397 5.608 -11.709 1.00 3.20 C ATOM 0 H LEU A 62 7.098 6.751 -9.802 1.00 0.96 H new ATOM 0 HA LEU A 62 8.559 4.540 -9.426 1.00 0.97 H new ATOM 0 HB2 LEU A 62 9.630 7.313 -8.688 1.00 1.22 H new ATOM 0 HB3 LEU A 62 10.593 5.952 -9.229 1.00 1.22 H new ATOM 0 HG LEU A 62 8.391 7.307 -10.845 1.00 2.21 H new ATOM 0 HD11 LEU A 62 10.283 8.098 -12.274 1.00 3.09 H new ATOM 0 HD12 LEU A 62 10.437 8.699 -10.606 1.00 3.09 H new ATOM 0 HD13 LEU A 62 11.436 7.332 -11.154 1.00 3.09 H new ATOM 0 HD21 LEU A 62 9.222 5.923 -12.738 1.00 3.20 H new ATOM 0 HD22 LEU A 62 10.369 5.120 -11.639 1.00 3.20 H new ATOM 0 HD23 LEU A 62 8.618 4.909 -11.406 1.00 3.20 H new ATOM 994 N ALA A 63 8.624 6.080 -6.494 1.00 0.96 N ATOM 995 CA ALA A 63 8.845 5.805 -5.036 1.00 0.99 C ATOM 996 C ALA A 63 7.956 4.644 -4.570 1.00 0.96 C ATOM 997 O ALA A 63 8.416 3.721 -3.925 1.00 1.38 O ATOM 998 CB ALA A 63 8.510 7.063 -4.230 1.00 1.23 C ATOM 0 H ALA A 63 8.371 7.040 -6.726 1.00 0.96 H new ATOM 0 HA ALA A 63 9.888 5.531 -4.879 1.00 0.99 H new ATOM 0 HB1 ALA A 63 8.669 6.869 -3.169 1.00 1.23 H new ATOM 0 HB2 ALA A 63 9.154 7.882 -4.549 1.00 1.23 H new ATOM 0 HB3 ALA A 63 7.468 7.335 -4.397 1.00 1.23 H new ATOM 1004 N VAL A 64 6.687 4.742 -4.902 1.00 0.80 N ATOM 1005 CA VAL A 64 5.744 3.658 -4.499 1.00 0.79 C ATOM 1006 C VAL A 64 6.302 2.348 -5.044 1.00 0.78 C ATOM 1007 O VAL A 64 6.320 1.344 -4.353 1.00 0.87 O ATOM 1008 CB VAL A 64 4.345 3.919 -5.088 1.00 0.94 C ATOM 1009 CG1 VAL A 64 3.423 2.739 -4.745 1.00 1.28 C ATOM 1010 CG2 VAL A 64 3.754 5.209 -4.492 1.00 1.12 C ATOM 0 H VAL A 64 6.274 5.514 -5.426 1.00 0.80 H new ATOM 0 HA VAL A 64 5.648 3.619 -3.414 1.00 0.79 H new ATOM 0 HB VAL A 64 4.428 4.027 -6.169 1.00 0.94 H new ATOM 0 HG11 VAL A 64 2.431 2.919 -5.160 1.00 1.28 H new ATOM 0 HG12 VAL A 64 3.832 1.822 -5.169 1.00 1.28 H new ATOM 0 HG13 VAL A 64 3.350 2.637 -3.662 1.00 1.28 H new ATOM 0 HG21 VAL A 64 2.765 5.385 -4.915 1.00 1.12 H new ATOM 0 HG22 VAL A 64 3.673 5.106 -3.410 1.00 1.12 H new ATOM 0 HG23 VAL A 64 4.405 6.051 -4.729 1.00 1.12 H new ATOM 1020 N GLU A 65 6.735 2.396 -6.282 1.00 0.85 N ATOM 1021 CA GLU A 65 7.327 1.181 -6.911 1.00 1.06 C ATOM 1022 C GLU A 65 8.452 0.676 -5.996 1.00 0.92 C ATOM 1023 O GLU A 65 8.376 -0.412 -5.471 1.00 0.88 O ATOM 1024 CB GLU A 65 7.910 1.551 -8.290 1.00 1.43 C ATOM 1025 CG GLU A 65 7.358 0.620 -9.376 1.00 2.43 C ATOM 1026 CD GLU A 65 5.938 1.038 -9.735 1.00 1.70 C ATOM 1027 OE1 GLU A 65 5.802 2.127 -10.262 1.00 2.17 O ATOM 1028 OE2 GLU A 65 5.050 0.236 -9.515 1.00 2.60 O ATOM 0 H GLU A 65 6.703 3.223 -6.879 1.00 0.85 H new ATOM 0 HA GLU A 65 6.569 0.409 -7.042 1.00 1.06 H new ATOM 0 HB2 GLU A 65 7.663 2.585 -8.530 1.00 1.43 H new ATOM 0 HB3 GLU A 65 8.997 1.481 -8.262 1.00 1.43 H new ATOM 0 HG2 GLU A 65 7.994 0.659 -10.260 1.00 2.43 H new ATOM 0 HG3 GLU A 65 7.366 -0.411 -9.023 1.00 2.43 H new ATOM 1035 N ASP A 66 9.448 1.514 -5.801 1.00 0.98 N ATOM 1036 CA ASP A 66 10.606 1.141 -4.925 1.00 0.98 C ATOM 1037 C ASP A 66 10.100 0.513 -3.624 1.00 0.83 C ATOM 1038 O ASP A 66 10.360 -0.641 -3.344 1.00 0.83 O ATOM 1039 CB ASP A 66 11.417 2.404 -4.596 1.00 1.14 C ATOM 1040 CG ASP A 66 12.602 2.036 -3.692 1.00 1.72 C ATOM 1041 OD1 ASP A 66 12.353 1.905 -2.506 1.00 2.62 O ATOM 1042 OD2 ASP A 66 13.689 1.900 -4.229 1.00 2.14 O ATOM 0 H ASP A 66 9.507 2.445 -6.214 1.00 0.98 H new ATOM 0 HA ASP A 66 11.234 0.420 -5.449 1.00 0.98 H new ATOM 0 HB2 ASP A 66 11.778 2.866 -5.515 1.00 1.14 H new ATOM 0 HB3 ASP A 66 10.782 3.137 -4.099 1.00 1.14 H new ATOM 1047 N PHE A 67 9.375 1.296 -2.875 1.00 0.77 N ATOM 1048 CA PHE A 67 8.814 0.822 -1.572 1.00 0.72 C ATOM 1049 C PHE A 67 8.104 -0.526 -1.728 1.00 0.66 C ATOM 1050 O PHE A 67 8.245 -1.405 -0.895 1.00 0.83 O ATOM 1051 CB PHE A 67 7.819 1.872 -1.063 1.00 0.72 C ATOM 1052 CG PHE A 67 7.518 1.613 0.418 1.00 0.74 C ATOM 1053 CD1 PHE A 67 8.382 2.071 1.398 1.00 0.96 C ATOM 1054 CD2 PHE A 67 6.396 0.898 0.792 1.00 0.66 C ATOM 1055 CE1 PHE A 67 8.123 1.816 2.732 1.00 0.97 C ATOM 1056 CE2 PHE A 67 6.138 0.648 2.125 1.00 0.72 C ATOM 1057 CZ PHE A 67 7.001 1.104 3.093 1.00 0.80 C ATOM 0 H PHE A 67 9.142 2.260 -3.112 1.00 0.77 H new ATOM 0 HA PHE A 67 9.630 0.688 -0.862 1.00 0.72 H new ATOM 0 HB2 PHE A 67 8.232 2.873 -1.192 1.00 0.72 H new ATOM 0 HB3 PHE A 67 6.899 1.829 -1.645 1.00 0.72 H new ATOM 0 HD1 PHE A 67 9.263 2.630 1.119 1.00 0.96 H new ATOM 0 HD2 PHE A 67 5.716 0.532 0.036 1.00 0.66 H new ATOM 0 HE1 PHE A 67 8.801 2.176 3.492 1.00 0.97 H new ATOM 0 HE2 PHE A 67 5.256 0.093 2.408 1.00 0.72 H new ATOM 0 HZ PHE A 67 6.799 0.904 4.135 1.00 0.80 H new ATOM 1067 N LEU A 68 7.361 -0.664 -2.794 1.00 0.68 N ATOM 1068 CA LEU A 68 6.620 -1.947 -3.010 1.00 0.80 C ATOM 1069 C LEU A 68 7.473 -2.981 -3.743 1.00 1.09 C ATOM 1070 O LEU A 68 7.046 -4.113 -3.882 1.00 1.87 O ATOM 1071 CB LEU A 68 5.342 -1.685 -3.825 1.00 0.81 C ATOM 1072 CG LEU A 68 4.381 -0.751 -3.058 1.00 0.77 C ATOM 1073 CD1 LEU A 68 3.067 -0.627 -3.837 1.00 1.00 C ATOM 1074 CD2 LEU A 68 4.067 -1.325 -1.672 1.00 0.94 C ATOM 0 H LEU A 68 7.234 0.044 -3.517 1.00 0.68 H new ATOM 0 HA LEU A 68 6.367 -2.345 -2.027 1.00 0.80 H new ATOM 0 HB2 LEU A 68 5.603 -1.237 -4.784 1.00 0.81 H new ATOM 0 HB3 LEU A 68 4.843 -2.630 -4.040 1.00 0.81 H new ATOM 0 HG LEU A 68 4.858 0.223 -2.949 1.00 0.77 H new ATOM 0 HD11 LEU A 68 2.386 0.032 -3.299 1.00 1.00 H new ATOM 0 HD12 LEU A 68 3.267 -0.213 -4.825 1.00 1.00 H new ATOM 0 HD13 LEU A 68 2.612 -1.612 -3.942 1.00 1.00 H new ATOM 0 HD21 LEU A 68 3.388 -0.654 -1.145 1.00 0.94 H new ATOM 0 HD22 LEU A 68 3.598 -2.303 -1.781 1.00 0.94 H new ATOM 0 HD23 LEU A 68 4.991 -1.427 -1.103 1.00 0.94 H new ATOM 1086 N GLU A 69 8.645 -2.582 -4.156 1.00 0.80 N ATOM 1087 CA GLU A 69 9.566 -3.520 -4.872 1.00 0.99 C ATOM 1088 C GLU A 69 10.630 -3.980 -3.866 1.00 1.05 C ATOM 1089 O GLU A 69 10.647 -5.136 -3.473 1.00 1.19 O ATOM 1090 CB GLU A 69 10.204 -2.760 -6.056 1.00 1.06 C ATOM 1091 CG GLU A 69 10.768 -3.724 -7.120 1.00 1.49 C ATOM 1092 CD GLU A 69 12.252 -4.004 -6.860 1.00 2.79 C ATOM 1093 OE1 GLU A 69 12.512 -4.802 -5.975 1.00 3.89 O ATOM 1094 OE2 GLU A 69 13.043 -3.408 -7.573 1.00 3.81 O ATOM 0 H GLU A 69 9.010 -1.638 -4.028 1.00 0.80 H new ATOM 0 HA GLU A 69 9.043 -4.393 -5.263 1.00 0.99 H new ATOM 0 HB2 GLU A 69 9.459 -2.109 -6.514 1.00 1.06 H new ATOM 0 HB3 GLU A 69 11.004 -2.118 -5.687 1.00 1.06 H new ATOM 0 HG2 GLU A 69 10.208 -4.659 -7.105 1.00 1.49 H new ATOM 0 HG3 GLU A 69 10.642 -3.293 -8.113 1.00 1.49 H new ATOM 1101 N GLN A 70 11.436 -3.049 -3.411 1.00 1.08 N ATOM 1102 CA GLN A 70 12.511 -3.383 -2.417 1.00 1.32 C ATOM 1103 C GLN A 70 11.995 -4.270 -1.279 1.00 1.32 C ATOM 1104 O GLN A 70 12.701 -5.160 -0.836 1.00 1.60 O ATOM 1105 CB GLN A 70 13.086 -2.103 -1.786 1.00 1.52 C ATOM 1106 CG GLN A 70 13.999 -1.374 -2.776 1.00 2.19 C ATOM 1107 CD GLN A 70 15.009 -0.527 -1.988 1.00 2.71 C ATOM 1108 OE1 GLN A 70 14.892 0.757 -1.978 1.00 3.36 O flip ATOM 1109 NE2 GLN A 70 15.922 -1.034 -1.363 1.00 2.95 N flip ATOM 0 H GLN A 70 11.396 -2.068 -3.686 1.00 1.08 H new ATOM 0 HA GLN A 70 13.279 -3.921 -2.972 1.00 1.32 H new ATOM 0 HB2 GLN A 70 12.272 -1.445 -1.481 1.00 1.52 H new ATOM 0 HB3 GLN A 70 13.646 -2.355 -0.885 1.00 1.52 H new ATOM 0 HG2 GLN A 70 14.521 -2.093 -3.407 1.00 2.19 H new ATOM 0 HG3 GLN A 70 13.409 -0.739 -3.437 1.00 2.19 H new ATOM 0 HE21 GLN A 70 16.034 -2.048 -1.356 1.00 2.95 H new ATOM 0 HE22 GLN A 70 16.575 -0.445 -0.846 1.00 2.95 H new ATOM 1118 N ASN A 71 10.817 -3.969 -0.786 1.00 1.10 N ATOM 1119 CA ASN A 71 10.260 -4.791 0.327 1.00 1.19 C ATOM 1120 C ASN A 71 9.227 -5.793 -0.182 1.00 1.16 C ATOM 1121 O ASN A 71 8.752 -6.608 0.573 1.00 1.32 O ATOM 1122 CB ASN A 71 9.553 -3.861 1.310 1.00 1.24 C ATOM 1123 CG ASN A 71 10.412 -2.639 1.633 1.00 1.51 C ATOM 1124 OD1 ASN A 71 11.545 -2.502 1.219 1.00 2.70 O ATOM 1125 ND2 ASN A 71 9.897 -1.716 2.366 1.00 1.55 N ATOM 0 H ASN A 71 10.227 -3.200 -1.103 1.00 1.10 H new ATOM 0 HA ASN A 71 11.083 -5.332 0.795 1.00 1.19 H new ATOM 0 HB2 ASN A 71 8.601 -3.538 0.888 1.00 1.24 H new ATOM 0 HB3 ASN A 71 9.327 -4.403 2.229 1.00 1.24 H new ATOM 0 HD21 ASN A 71 10.439 -0.882 2.592 1.00 1.55 H new ATOM 0 HD22 ASN A 71 8.946 -1.818 2.721 1.00 1.55 H new ATOM 1132 N GLU A 72 8.952 -5.737 -1.454 1.00 1.37 N ATOM 1133 CA GLU A 72 7.925 -6.636 -2.070 1.00 1.52 C ATOM 1134 C GLU A 72 6.769 -6.913 -1.089 1.00 1.21 C ATOM 1135 O GLU A 72 6.633 -7.982 -0.504 1.00 1.38 O ATOM 1136 CB GLU A 72 8.584 -7.945 -2.532 1.00 2.01 C ATOM 1137 CG GLU A 72 7.545 -8.831 -3.256 1.00 3.42 C ATOM 1138 CD GLU A 72 6.728 -7.976 -4.233 1.00 4.93 C ATOM 1139 OE1 GLU A 72 7.338 -7.511 -5.184 1.00 5.63 O ATOM 1140 OE2 GLU A 72 5.553 -7.794 -3.940 1.00 5.98 O ATOM 0 H GLU A 72 9.401 -5.096 -2.108 1.00 1.37 H new ATOM 0 HA GLU A 72 7.501 -6.134 -2.940 1.00 1.52 H new ATOM 0 HB2 GLU A 72 9.417 -7.727 -3.200 1.00 2.01 H new ATOM 0 HB3 GLU A 72 8.995 -8.478 -1.674 1.00 2.01 H new ATOM 0 HG2 GLU A 72 8.049 -9.634 -3.794 1.00 3.42 H new ATOM 0 HG3 GLU A 72 6.884 -9.301 -2.528 1.00 3.42 H new ATOM 1147 N LEU A 73 5.932 -5.922 -0.963 1.00 1.11 N ATOM 1148 CA LEU A 73 4.770 -6.026 -0.063 1.00 0.96 C ATOM 1149 C LEU A 73 3.641 -6.702 -0.838 1.00 1.19 C ATOM 1150 O LEU A 73 2.653 -6.075 -1.181 1.00 2.33 O ATOM 1151 CB LEU A 73 4.380 -4.604 0.372 1.00 0.98 C ATOM 1152 CG LEU A 73 5.581 -3.903 1.047 1.00 1.19 C ATOM 1153 CD1 LEU A 73 5.139 -2.569 1.659 1.00 2.10 C ATOM 1154 CD2 LEU A 73 6.162 -4.783 2.166 1.00 2.40 C ATOM 0 H LEU A 73 6.013 -5.033 -1.457 1.00 1.11 H new ATOM 0 HA LEU A 73 4.988 -6.615 0.828 1.00 0.96 H new ATOM 0 HB2 LEU A 73 4.053 -4.028 -0.494 1.00 0.98 H new ATOM 0 HB3 LEU A 73 3.538 -4.645 1.063 1.00 0.98 H new ATOM 0 HG LEU A 73 6.340 -3.731 0.284 1.00 1.19 H new ATOM 0 HD11 LEU A 73 5.993 -2.085 2.132 1.00 2.10 H new ATOM 0 HD12 LEU A 73 4.743 -1.923 0.876 1.00 2.10 H new ATOM 0 HD13 LEU A 73 4.366 -2.750 2.406 1.00 2.10 H new ATOM 0 HD21 LEU A 73 7.006 -4.272 2.629 1.00 2.40 H new ATOM 0 HD22 LEU A 73 5.395 -4.970 2.917 1.00 2.40 H new ATOM 0 HD23 LEU A 73 6.497 -5.731 1.746 1.00 2.40 H new ATOM 1166 N GLN A 74 3.863 -7.980 -1.103 1.00 0.78 N ATOM 1167 CA GLN A 74 2.891 -8.844 -1.866 1.00 0.94 C ATOM 1168 C GLN A 74 1.870 -7.989 -2.631 1.00 0.95 C ATOM 1169 O GLN A 74 0.683 -7.973 -2.320 1.00 1.27 O ATOM 1170 CB GLN A 74 2.186 -9.792 -0.857 1.00 1.08 C ATOM 1171 CG GLN A 74 2.252 -11.255 -1.347 1.00 2.20 C ATOM 1172 CD GLN A 74 1.053 -11.595 -2.252 1.00 3.87 C ATOM 1173 OE1 GLN A 74 0.047 -12.103 -1.798 1.00 4.75 O ATOM 1174 NE2 GLN A 74 1.094 -11.319 -3.523 1.00 5.21 N ATOM 0 H GLN A 74 4.707 -8.472 -0.810 1.00 0.78 H new ATOM 0 HA GLN A 74 3.428 -9.432 -2.610 1.00 0.94 H new ATOM 0 HB2 GLN A 74 2.661 -9.709 0.121 1.00 1.08 H new ATOM 0 HB3 GLN A 74 1.146 -9.491 -0.733 1.00 1.08 H new ATOM 0 HG2 GLN A 74 3.181 -11.416 -1.894 1.00 2.20 H new ATOM 0 HG3 GLN A 74 2.266 -11.928 -0.490 1.00 2.20 H new ATOM 0 HE21 GLN A 74 1.928 -10.892 -3.926 1.00 5.21 H new ATOM 0 HE22 GLN A 74 0.292 -11.529 -4.117 1.00 5.21 H new ATOM 1183 N TYR A 75 2.362 -7.265 -3.606 1.00 0.90 N ATOM 1184 CA TYR A 75 1.441 -6.396 -4.399 1.00 0.94 C ATOM 1185 C TYR A 75 1.331 -6.917 -5.831 1.00 0.97 C ATOM 1186 O TYR A 75 2.255 -7.510 -6.367 1.00 1.00 O ATOM 1187 CB TYR A 75 1.978 -4.952 -4.414 1.00 1.02 C ATOM 1188 CG TYR A 75 3.052 -4.807 -5.500 1.00 1.04 C ATOM 1189 CD1 TYR A 75 2.682 -4.549 -6.809 1.00 1.40 C ATOM 1190 CD2 TYR A 75 4.387 -5.022 -5.212 1.00 1.06 C ATOM 1191 CE1 TYR A 75 3.628 -4.517 -7.808 1.00 1.66 C ATOM 1192 CE2 TYR A 75 5.331 -4.992 -6.216 1.00 1.38 C ATOM 1193 CZ TYR A 75 4.956 -4.743 -7.520 1.00 1.64 C ATOM 1194 OH TYR A 75 5.890 -4.748 -8.529 1.00 2.06 O ATOM 0 H TYR A 75 3.343 -7.238 -3.883 1.00 0.90 H new ATOM 0 HA TYR A 75 0.453 -6.412 -3.939 1.00 0.94 H new ATOM 0 HB2 TYR A 75 1.163 -4.253 -4.601 1.00 1.02 H new ATOM 0 HB3 TYR A 75 2.397 -4.700 -3.440 1.00 1.02 H new ATOM 0 HD1 TYR A 75 1.644 -4.372 -7.048 1.00 1.40 H new ATOM 0 HD2 TYR A 75 4.692 -5.215 -4.194 1.00 1.06 H new ATOM 0 HE1 TYR A 75 3.327 -4.313 -8.825 1.00 1.66 H new ATOM 0 HE2 TYR A 75 6.371 -5.165 -5.980 1.00 1.38 H new ATOM 0 HH TYR A 75 6.778 -4.921 -8.152 1.00 2.06 H new ATOM 1204 N GLU A 76 0.211 -6.616 -6.435 1.00 1.09 N ATOM 1205 CA GLU A 76 -0.048 -7.058 -7.836 1.00 1.23 C ATOM 1206 C GLU A 76 -0.761 -5.935 -8.607 1.00 1.26 C ATOM 1207 O GLU A 76 -1.014 -4.868 -8.062 1.00 1.37 O ATOM 1208 CB GLU A 76 -0.919 -8.333 -7.817 1.00 1.48 C ATOM 1209 CG GLU A 76 -0.038 -9.602 -7.819 1.00 2.66 C ATOM 1210 CD GLU A 76 -0.026 -10.279 -6.433 1.00 3.80 C ATOM 1211 OE1 GLU A 76 0.258 -9.575 -5.485 1.00 4.62 O ATOM 1212 OE2 GLU A 76 -0.283 -11.478 -6.402 1.00 4.63 O ATOM 0 H GLU A 76 -0.544 -6.076 -6.011 1.00 1.09 H new ATOM 0 HA GLU A 76 0.896 -7.280 -8.333 1.00 1.23 H new ATOM 0 HB2 GLU A 76 -1.557 -8.330 -6.933 1.00 1.48 H new ATOM 0 HB3 GLU A 76 -1.578 -8.341 -8.685 1.00 1.48 H new ATOM 0 HG2 GLU A 76 -0.410 -10.304 -8.566 1.00 2.66 H new ATOM 0 HG3 GLU A 76 0.980 -9.340 -8.107 1.00 2.66 H new ATOM 1219 N VAL A 77 -1.112 -6.217 -9.839 1.00 1.44 N ATOM 1220 CA VAL A 77 -1.800 -5.188 -10.675 1.00 1.68 C ATOM 1221 C VAL A 77 -3.258 -5.614 -10.895 1.00 2.16 C ATOM 1222 O VAL A 77 -3.712 -5.772 -12.015 1.00 2.73 O ATOM 1223 CB VAL A 77 -1.052 -5.063 -12.018 1.00 2.12 C ATOM 1224 CG1 VAL A 77 -1.558 -3.823 -12.772 1.00 2.40 C ATOM 1225 CG2 VAL A 77 0.459 -4.919 -11.759 1.00 2.32 C ATOM 0 H VAL A 77 -0.952 -7.113 -10.299 1.00 1.44 H new ATOM 0 HA VAL A 77 -1.795 -4.218 -10.177 1.00 1.68 H new ATOM 0 HB VAL A 77 -1.234 -5.956 -12.616 1.00 2.12 H new ATOM 0 HG11 VAL A 77 -1.030 -3.734 -13.721 1.00 2.40 H new ATOM 0 HG12 VAL A 77 -2.627 -3.922 -12.959 1.00 2.40 H new ATOM 0 HG13 VAL A 77 -1.376 -2.932 -12.171 1.00 2.40 H new ATOM 0 HG21 VAL A 77 0.984 -4.831 -12.710 1.00 2.32 H new ATOM 0 HG22 VAL A 77 0.642 -4.027 -11.159 1.00 2.32 H new ATOM 0 HG23 VAL A 77 0.822 -5.797 -11.224 1.00 2.32 H new