USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 396 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 26 LYS NZ :NH3+ -167:sc= 1.54 (180deg=0.957) USER MOD Set 1.2: A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.0406 X(o=-0.041,f=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0837 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 GLN : amide:sc= -0.136 X(o=-0.14,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -5.75 X(o=-5.8,f=-5.8!) USER MOD Single : A 42 LYS NZ :NH3+ -125:sc= 0.166 (180deg=-0.395) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -1.16! C(o=-1.2!,f=-7.2!) USER MOD Single : A 47 CYS SG : rot -150:sc= -1.18 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 118 N TRP A 12 -8.140 0.028 -7.998 1.00 0.00 N ATOM 119 CA TRP A 12 -6.760 0.463 -7.813 1.00 0.00 C ATOM 120 C TRP A 12 -6.079 0.699 -9.157 1.00 0.00 C ATOM 121 O TRP A 12 -6.378 0.024 -10.142 1.00 0.00 O ATOM 122 CB TRP A 12 -5.980 -0.577 -7.008 1.00 0.00 C ATOM 123 CG TRP A 12 -6.240 -0.504 -5.534 1.00 0.00 C ATOM 124 CD1 TRP A 12 -7.290 -1.058 -4.859 1.00 0.00 C ATOM 125 CD2 TRP A 12 -5.437 0.162 -4.554 1.00 0.00 C ATOM 126 NE1 TRP A 12 -7.188 -0.776 -3.518 1.00 0.00 N ATOM 127 CE2 TRP A 12 -6.059 -0.029 -3.305 1.00 0.00 C ATOM 128 CE3 TRP A 12 -4.251 0.900 -4.609 1.00 0.00 C ATOM 129 CZ2 TRP A 12 -5.535 0.492 -2.125 1.00 0.00 C ATOM 130 CZ3 TRP A 12 -3.733 1.417 -3.437 1.00 0.00 C ATOM 131 CH2 TRP A 12 -4.374 1.210 -2.208 1.00 0.00 C ATOM 0 HA TRP A 12 -6.772 1.404 -7.263 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -6.240 -1.573 -7.367 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -4.914 -0.441 -7.189 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -8.084 -1.633 -5.312 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -7.846 -1.074 -2.798 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -3.748 1.063 -5.551 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -6.028 0.335 -1.177 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -2.818 1.991 -3.469 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -3.943 1.625 -1.309 1.00 0.00 H new ATOM 142 N ARG A 13 -5.162 1.661 -9.190 1.00 0.00 N ATOM 143 CA ARG A 13 -4.440 1.986 -10.414 1.00 0.00 C ATOM 144 C ARG A 13 -2.932 1.968 -10.176 1.00 0.00 C ATOM 145 O ARG A 13 -2.474 1.978 -9.035 1.00 0.00 O ATOM 146 CB ARG A 13 -4.868 3.359 -10.935 1.00 0.00 C ATOM 147 CG ARG A 13 -6.354 3.459 -11.239 1.00 0.00 C ATOM 148 CD ARG A 13 -6.655 4.623 -12.169 1.00 0.00 C ATOM 149 NE ARG A 13 -8.088 4.893 -12.262 1.00 0.00 N ATOM 150 CZ ARG A 13 -8.766 5.582 -11.352 1.00 0.00 C ATOM 151 NH1 ARG A 13 -8.146 6.069 -10.286 1.00 0.00 N ATOM 152 NH2 ARG A 13 -10.068 5.786 -11.507 1.00 0.00 N ATOM 0 H ARG A 13 -4.902 2.228 -8.383 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.682 1.230 -11.161 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.605 4.117 -10.197 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.305 3.587 -11.840 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.697 2.530 -11.695 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.909 3.582 -10.309 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.140 5.515 -11.812 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.262 4.405 -13.162 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.595 4.532 -13.070 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.145 5.915 -10.163 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -8.670 6.598 -9.589 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -10.549 5.413 -12.326 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -10.588 6.315 -10.807 1.00 0.00 H new ATOM 166 N ASN A 14 -2.168 1.939 -11.263 1.00 0.00 N ATOM 167 CA ASN A 14 -0.712 1.918 -11.173 1.00 0.00 C ATOM 168 C ASN A 14 -0.216 2.929 -10.143 1.00 0.00 C ATOM 169 O ASN A 14 0.638 2.617 -9.313 1.00 0.00 O ATOM 170 CB ASN A 14 -0.092 2.219 -12.539 1.00 0.00 C ATOM 171 CG ASN A 14 1.424 2.246 -12.493 1.00 0.00 C ATOM 172 OD1 ASN A 14 2.078 1.209 -12.605 1.00 0.00 O ATOM 173 ND2 ASN A 14 1.989 3.435 -12.326 1.00 0.00 N ATOM 0 H ASN A 14 -2.532 1.930 -12.216 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.407 0.921 -10.854 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -0.418 1.466 -13.257 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.459 3.181 -12.898 1.00 0.00 H new ATOM 0 HD21 ASN A 14 3.005 3.516 -12.286 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.407 4.268 -12.238 1.00 0.00 H new ATOM 180 N THR A 15 -0.759 4.141 -10.203 1.00 0.00 N ATOM 181 CA THR A 15 -0.372 5.197 -9.276 1.00 0.00 C ATOM 182 C THR A 15 -0.663 4.798 -7.834 1.00 0.00 C ATOM 183 O THR A 15 0.232 4.795 -6.990 1.00 0.00 O ATOM 184 CB THR A 15 -1.104 6.516 -9.590 1.00 0.00 C ATOM 185 OG1 THR A 15 -2.515 6.286 -9.667 1.00 0.00 O ATOM 186 CG2 THR A 15 -0.610 7.111 -10.900 1.00 0.00 C ATOM 0 H THR A 15 -1.468 4.415 -10.883 1.00 0.00 H new ATOM 0 HA THR A 15 0.701 5.347 -9.398 1.00 0.00 H new ATOM 0 HB THR A 15 -0.894 7.222 -8.787 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.974 7.129 -9.865 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.141 8.041 -11.100 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.459 7.312 -10.828 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.793 6.407 -11.711 1.00 0.00 H new ATOM 194 N GLU A 16 -1.920 4.462 -7.560 1.00 0.00 N ATOM 195 CA GLU A 16 -2.327 4.061 -6.219 1.00 0.00 C ATOM 196 C GLU A 16 -1.376 3.012 -5.652 1.00 0.00 C ATOM 197 O GLU A 16 -0.933 3.114 -4.507 1.00 0.00 O ATOM 198 CB GLU A 16 -3.756 3.513 -6.239 1.00 0.00 C ATOM 199 CG GLU A 16 -4.774 4.486 -6.809 1.00 0.00 C ATOM 200 CD GLU A 16 -6.195 3.966 -6.715 1.00 0.00 C ATOM 201 OE1 GLU A 16 -6.607 3.567 -5.606 1.00 0.00 O ATOM 202 OE2 GLU A 16 -6.894 3.957 -7.750 1.00 0.00 O ATOM 0 H GLU A 16 -2.673 4.460 -8.248 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.292 4.942 -5.578 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.776 2.595 -6.826 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.049 3.248 -5.223 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.702 5.434 -6.276 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.533 4.688 -7.853 1.00 0.00 H new ATOM 209 N ASP A 17 -1.066 2.005 -6.460 1.00 0.00 N ATOM 210 CA ASP A 17 -0.167 0.936 -6.041 1.00 0.00 C ATOM 211 C ASP A 17 1.208 1.492 -5.681 1.00 0.00 C ATOM 212 O ASP A 17 1.759 1.176 -4.627 1.00 0.00 O ATOM 213 CB ASP A 17 -0.033 -0.112 -7.147 1.00 0.00 C ATOM 214 CG ASP A 17 -1.069 -1.212 -7.030 1.00 0.00 C ATOM 215 OD1 ASP A 17 -1.475 -1.527 -5.891 1.00 0.00 O ATOM 216 OD2 ASP A 17 -1.474 -1.759 -8.077 1.00 0.00 O ATOM 0 H ASP A 17 -1.424 1.906 -7.410 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.593 0.465 -5.155 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -0.131 0.374 -8.118 1.00 0.00 H new ATOM 0 HB3 ASP A 17 0.964 -0.550 -7.109 1.00 0.00 H new ATOM 221 N GLU A 18 1.755 2.321 -6.565 1.00 0.00 N ATOM 222 CA GLU A 18 3.066 2.919 -6.341 1.00 0.00 C ATOM 223 C GLU A 18 3.112 3.641 -4.997 1.00 0.00 C ATOM 224 O GLU A 18 3.981 3.374 -4.167 1.00 0.00 O ATOM 225 CB GLU A 18 3.405 3.895 -7.469 1.00 0.00 C ATOM 226 CG GLU A 18 4.010 3.226 -8.691 1.00 0.00 C ATOM 227 CD GLU A 18 5.276 2.455 -8.368 1.00 0.00 C ATOM 228 OE1 GLU A 18 5.165 1.280 -7.960 1.00 0.00 O ATOM 229 OE2 GLU A 18 6.375 3.027 -8.523 1.00 0.00 O ATOM 0 H GLU A 18 1.311 2.593 -7.442 1.00 0.00 H new ATOM 0 HA GLU A 18 3.805 2.118 -6.329 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.499 4.423 -7.766 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.102 4.644 -7.093 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.278 2.548 -9.129 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.232 3.984 -9.443 1.00 0.00 H new ATOM 236 N ILE A 19 2.170 4.556 -4.792 1.00 0.00 N ATOM 237 CA ILE A 19 2.103 5.316 -3.550 1.00 0.00 C ATOM 238 C ILE A 19 1.999 4.389 -2.343 1.00 0.00 C ATOM 239 O ILE A 19 2.842 4.422 -1.446 1.00 0.00 O ATOM 240 CB ILE A 19 0.904 6.282 -3.545 1.00 0.00 C ATOM 241 CG1 ILE A 19 1.010 7.266 -4.713 1.00 0.00 C ATOM 242 CG2 ILE A 19 0.830 7.029 -2.222 1.00 0.00 C ATOM 243 CD1 ILE A 19 -0.327 7.796 -5.179 1.00 0.00 C ATOM 0 H ILE A 19 1.444 4.789 -5.469 1.00 0.00 H new ATOM 0 HA ILE A 19 3.025 5.894 -3.484 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.011 5.702 -3.664 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.640 8.104 -4.415 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.508 6.774 -5.548 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.023 7.708 -2.235 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.713 6.315 -1.407 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.746 7.601 -2.075 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.175 8.487 -6.008 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.953 6.966 -5.508 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.818 8.317 -4.357 1.00 0.00 H new ATOM 255 N LEU A 20 0.959 3.562 -2.328 1.00 0.00 N ATOM 256 CA LEU A 20 0.745 2.623 -1.232 1.00 0.00 C ATOM 257 C LEU A 20 2.009 1.819 -0.948 1.00 0.00 C ATOM 258 O LEU A 20 2.506 1.798 0.178 1.00 0.00 O ATOM 259 CB LEU A 20 -0.412 1.678 -1.563 1.00 0.00 C ATOM 260 CG LEU A 20 -0.644 0.531 -0.579 1.00 0.00 C ATOM 261 CD1 LEU A 20 -1.287 1.046 0.699 1.00 0.00 C ATOM 262 CD2 LEU A 20 -1.506 -0.551 -1.213 1.00 0.00 C ATOM 0 H LEU A 20 0.251 3.523 -3.062 1.00 0.00 H new ATOM 0 HA LEU A 20 0.494 3.196 -0.339 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.328 2.266 -1.627 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.236 1.253 -2.551 1.00 0.00 H new ATOM 0 HG LEU A 20 0.322 0.095 -0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.445 0.216 1.387 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.633 1.784 1.164 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.245 1.509 0.463 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.660 -1.359 -0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.470 -0.129 -1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.006 -0.942 -2.099 1.00 0.00 H new ATOM 274 N LYS A 21 2.527 1.158 -1.978 1.00 0.00 N ATOM 275 CA LYS A 21 3.736 0.354 -1.843 1.00 0.00 C ATOM 276 C LYS A 21 4.807 1.110 -1.064 1.00 0.00 C ATOM 277 O LYS A 21 5.344 0.605 -0.079 1.00 0.00 O ATOM 278 CB LYS A 21 4.272 -0.035 -3.222 1.00 0.00 C ATOM 279 CG LYS A 21 3.572 -1.239 -3.829 1.00 0.00 C ATOM 280 CD LYS A 21 3.661 -1.230 -5.346 1.00 0.00 C ATOM 281 CE LYS A 21 4.965 -1.844 -5.832 1.00 0.00 C ATOM 282 NZ LYS A 21 4.844 -2.379 -7.216 1.00 0.00 N ATOM 0 H LYS A 21 2.128 1.163 -2.917 1.00 0.00 H new ATOM 0 HA LYS A 21 3.481 -0.551 -1.292 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.166 0.815 -3.897 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.338 -0.247 -3.142 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.020 -2.154 -3.443 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.525 -1.244 -3.525 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.820 -1.782 -5.764 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.582 -0.206 -5.710 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.754 -1.093 -5.801 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.262 -2.647 -5.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.753 -2.789 -7.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.109 -3.114 -7.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.585 -1.608 -7.865 1.00 0.00 H new ATOM 296 N ALA A 22 5.112 2.324 -1.512 1.00 0.00 N ATOM 297 CA ALA A 22 6.117 3.150 -0.855 1.00 0.00 C ATOM 298 C ALA A 22 5.693 3.504 0.567 1.00 0.00 C ATOM 299 O ALA A 22 6.373 3.156 1.532 1.00 0.00 O ATOM 300 CB ALA A 22 6.370 4.415 -1.662 1.00 0.00 C ATOM 0 H ALA A 22 4.677 2.757 -2.327 1.00 0.00 H new ATOM 0 HA ALA A 22 7.042 2.577 -0.798 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.123 5.023 -1.160 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.725 4.147 -2.657 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.444 4.983 -1.748 1.00 0.00 H new ATOM 306 N ALA A 23 4.566 4.198 0.688 1.00 0.00 N ATOM 307 CA ALA A 23 4.051 4.597 1.991 1.00 0.00 C ATOM 308 C ALA A 23 4.253 3.492 3.023 1.00 0.00 C ATOM 309 O ALA A 23 4.793 3.729 4.104 1.00 0.00 O ATOM 310 CB ALA A 23 2.577 4.962 1.888 1.00 0.00 C ATOM 0 H ALA A 23 3.992 4.495 -0.101 1.00 0.00 H new ATOM 0 HA ALA A 23 4.609 5.474 2.321 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.206 5.258 2.869 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.455 5.790 1.189 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.013 4.100 1.532 1.00 0.00 H new ATOM 316 N VAL A 24 3.815 2.284 2.683 1.00 0.00 N ATOM 317 CA VAL A 24 3.948 1.142 3.580 1.00 0.00 C ATOM 318 C VAL A 24 5.363 1.045 4.140 1.00 0.00 C ATOM 319 O VAL A 24 5.556 0.729 5.313 1.00 0.00 O ATOM 320 CB VAL A 24 3.599 -0.177 2.865 1.00 0.00 C ATOM 321 CG1 VAL A 24 3.727 -1.353 3.822 1.00 0.00 C ATOM 322 CG2 VAL A 24 2.198 -0.108 2.276 1.00 0.00 C ATOM 0 H VAL A 24 3.365 2.071 1.793 1.00 0.00 H new ATOM 0 HA VAL A 24 3.246 1.299 4.399 1.00 0.00 H new ATOM 0 HB VAL A 24 4.305 -0.326 2.048 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.477 -2.276 3.299 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.751 -1.411 4.192 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.045 -1.215 4.661 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.967 -1.048 1.774 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.476 0.064 3.074 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.146 0.709 1.557 1.00 0.00 H new ATOM 332 N MET A 25 6.349 1.320 3.292 1.00 0.00 N ATOM 333 CA MET A 25 7.747 1.265 3.703 1.00 0.00 C ATOM 334 C MET A 25 8.120 2.494 4.526 1.00 0.00 C ATOM 335 O MET A 25 8.933 2.414 5.447 1.00 0.00 O ATOM 336 CB MET A 25 8.657 1.161 2.478 1.00 0.00 C ATOM 337 CG MET A 25 8.472 -0.126 1.691 1.00 0.00 C ATOM 338 SD MET A 25 9.520 -1.464 2.291 1.00 0.00 S ATOM 339 CE MET A 25 9.015 -2.800 1.210 1.00 0.00 C ATOM 0 H MET A 25 6.206 1.583 2.317 1.00 0.00 H new ATOM 0 HA MET A 25 7.883 0.379 4.324 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.466 2.010 1.821 1.00 0.00 H new ATOM 0 HB3 MET A 25 9.696 1.234 2.800 1.00 0.00 H new ATOM 0 HG2 MET A 25 7.428 -0.435 1.747 1.00 0.00 H new ATOM 0 HG3 MET A 25 8.693 0.060 0.640 1.00 0.00 H new ATOM 0 HE1 MET A 25 9.577 -3.701 1.458 1.00 0.00 H new ATOM 0 HE2 MET A 25 7.949 -2.990 1.339 1.00 0.00 H new ATOM 0 HE3 MET A 25 9.211 -2.524 0.174 1.00 0.00 H new ATOM 349 N LYS A 26 7.522 3.631 4.187 1.00 0.00 N ATOM 350 CA LYS A 26 7.790 4.878 4.895 1.00 0.00 C ATOM 351 C LYS A 26 7.142 4.871 6.275 1.00 0.00 C ATOM 352 O LYS A 26 7.831 4.906 7.295 1.00 0.00 O ATOM 353 CB LYS A 26 7.275 6.069 4.084 1.00 0.00 C ATOM 354 CG LYS A 26 7.392 7.397 4.813 1.00 0.00 C ATOM 355 CD LYS A 26 6.624 8.495 4.097 1.00 0.00 C ATOM 356 CE LYS A 26 6.645 9.796 4.886 1.00 0.00 C ATOM 357 NZ LYS A 26 6.095 9.621 6.259 1.00 0.00 N ATOM 0 H LYS A 26 6.848 3.715 3.426 1.00 0.00 H new ATOM 0 HA LYS A 26 8.869 4.971 5.021 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.830 6.128 3.148 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.230 5.897 3.825 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.013 7.290 5.829 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.442 7.678 4.892 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.057 8.660 3.110 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.592 8.178 3.943 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.668 10.166 4.949 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.065 10.552 4.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.921 10.554 6.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.202 9.090 6.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.778 9.096 6.842 1.00 0.00 H new ATOM 371 N TYR A 27 5.815 4.822 6.300 1.00 0.00 N ATOM 372 CA TYR A 27 5.074 4.811 7.556 1.00 0.00 C ATOM 373 C TYR A 27 5.118 3.430 8.202 1.00 0.00 C ATOM 374 O TYR A 27 5.104 3.303 9.426 1.00 0.00 O ATOM 375 CB TYR A 27 3.622 5.230 7.320 1.00 0.00 C ATOM 376 CG TYR A 27 3.472 6.662 6.857 1.00 0.00 C ATOM 377 CD1 TYR A 27 3.637 7.002 5.520 1.00 0.00 C ATOM 378 CD2 TYR A 27 3.165 7.675 7.758 1.00 0.00 C ATOM 379 CE1 TYR A 27 3.502 8.309 5.094 1.00 0.00 C ATOM 380 CE2 TYR A 27 3.027 8.984 7.340 1.00 0.00 C ATOM 381 CZ TYR A 27 3.197 9.296 6.007 1.00 0.00 C ATOM 382 OH TYR A 27 3.060 10.599 5.586 1.00 0.00 O ATOM 0 H TYR A 27 5.230 4.789 5.465 1.00 0.00 H new ATOM 0 HA TYR A 27 5.545 5.524 8.233 1.00 0.00 H new ATOM 0 HB2 TYR A 27 3.178 4.568 6.576 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.059 5.095 8.244 1.00 0.00 H new ATOM 0 HD1 TYR A 27 3.875 6.231 4.802 1.00 0.00 H new ATOM 0 HD2 TYR A 27 3.032 7.434 8.802 1.00 0.00 H new ATOM 0 HE1 TYR A 27 3.635 8.556 4.051 1.00 0.00 H new ATOM 0 HE2 TYR A 27 2.787 9.759 8.053 1.00 0.00 H new ATOM 0 HH TYR A 27 2.843 11.169 6.353 1.00 0.00 H new ATOM 392 N GLY A 28 5.171 2.395 7.368 1.00 0.00 N ATOM 393 CA GLY A 28 5.217 1.036 7.875 1.00 0.00 C ATOM 394 C GLY A 28 3.962 0.252 7.545 1.00 0.00 C ATOM 395 O GLY A 28 2.997 0.803 7.014 1.00 0.00 O ATOM 0 H GLY A 28 5.183 2.474 6.351 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.083 0.524 7.455 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.354 1.059 8.956 1.00 0.00 H new ATOM 399 N LYS A 29 3.973 -1.039 7.859 1.00 0.00 N ATOM 400 CA LYS A 29 2.828 -1.902 7.593 1.00 0.00 C ATOM 401 C LYS A 29 1.829 -1.851 8.745 1.00 0.00 C ATOM 402 O LYS A 29 0.984 -2.733 8.885 1.00 0.00 O ATOM 403 CB LYS A 29 3.291 -3.343 7.369 1.00 0.00 C ATOM 404 CG LYS A 29 3.978 -3.560 6.032 1.00 0.00 C ATOM 405 CD LYS A 29 4.878 -4.784 6.060 1.00 0.00 C ATOM 406 CE LYS A 29 5.865 -4.777 4.903 1.00 0.00 C ATOM 407 NZ LYS A 29 6.391 -6.140 4.613 1.00 0.00 N ATOM 0 H LYS A 29 4.763 -1.511 8.298 1.00 0.00 H new ATOM 0 HA LYS A 29 2.334 -1.541 6.691 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.975 -3.625 8.169 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.430 -4.007 7.437 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.227 -3.677 5.251 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.568 -2.679 5.778 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.422 -4.815 7.004 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.268 -5.686 6.014 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.378 -4.379 4.013 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.695 -4.110 5.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.060 -6.092 3.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.878 -6.510 5.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.602 -6.771 4.364 1.00 0.00 H new ATOM 421 N ASN A 30 1.932 -0.811 9.566 1.00 0.00 N ATOM 422 CA ASN A 30 1.037 -0.644 10.705 1.00 0.00 C ATOM 423 C ASN A 30 0.186 0.612 10.549 1.00 0.00 C ATOM 424 O ASN A 30 -0.941 0.675 11.040 1.00 0.00 O ATOM 425 CB ASN A 30 1.840 -0.572 12.005 1.00 0.00 C ATOM 426 CG ASN A 30 2.292 -1.939 12.482 1.00 0.00 C ATOM 427 OD1 ASN A 30 1.516 -2.690 13.073 1.00 0.00 O ATOM 428 ND2 ASN A 30 3.553 -2.267 12.227 1.00 0.00 N ATOM 0 H ASN A 30 2.627 -0.071 9.464 1.00 0.00 H new ATOM 0 HA ASN A 30 0.373 -1.508 10.743 1.00 0.00 H new ATOM 0 HB2 ASN A 30 2.712 0.064 11.855 1.00 0.00 H new ATOM 0 HB3 ASN A 30 1.232 -0.103 12.779 1.00 0.00 H new ATOM 0 HD21 ASN A 30 3.914 -3.173 12.524 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.160 -1.613 11.734 1.00 0.00 H new ATOM 435 N GLN A 31 0.734 1.610 9.863 1.00 0.00 N ATOM 436 CA GLN A 31 0.025 2.865 9.643 1.00 0.00 C ATOM 437 C GLN A 31 -0.912 2.758 8.444 1.00 0.00 C ATOM 438 O GLN A 31 -1.043 3.698 7.660 1.00 0.00 O ATOM 439 CB GLN A 31 1.020 4.006 9.427 1.00 0.00 C ATOM 440 CG GLN A 31 2.023 4.161 10.558 1.00 0.00 C ATOM 441 CD GLN A 31 1.539 5.103 11.643 1.00 0.00 C ATOM 442 OE1 GLN A 31 1.108 4.669 12.711 1.00 0.00 O ATOM 443 NE2 GLN A 31 1.608 6.402 11.373 1.00 0.00 N ATOM 0 H GLN A 31 1.666 1.574 9.450 1.00 0.00 H new ATOM 0 HA GLN A 31 -0.572 3.076 10.530 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.559 3.835 8.495 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.470 4.940 9.310 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.226 3.183 10.995 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.965 4.531 10.154 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.972 6.717 10.474 1.00 0.00 H new ATOM 0 HE22 GLN A 31 1.297 7.084 12.065 1.00 0.00 H new ATOM 452 N TRP A 32 -1.560 1.607 8.307 1.00 0.00 N ATOM 453 CA TRP A 32 -2.485 1.377 7.203 1.00 0.00 C ATOM 454 C TRP A 32 -3.563 2.455 7.163 1.00 0.00 C ATOM 455 O TRP A 32 -3.936 2.933 6.092 1.00 0.00 O ATOM 456 CB TRP A 32 -3.131 -0.003 7.331 1.00 0.00 C ATOM 457 CG TRP A 32 -2.179 -1.131 7.068 1.00 0.00 C ATOM 458 CD1 TRP A 32 -1.846 -2.139 7.927 1.00 0.00 C ATOM 459 CD2 TRP A 32 -1.436 -1.363 5.867 1.00 0.00 C ATOM 460 NE1 TRP A 32 -0.941 -2.984 7.332 1.00 0.00 N ATOM 461 CE2 TRP A 32 -0.674 -2.531 6.067 1.00 0.00 C ATOM 462 CE3 TRP A 32 -1.342 -0.701 4.640 1.00 0.00 C ATOM 463 CZ2 TRP A 32 0.170 -3.046 5.087 1.00 0.00 C ATOM 464 CZ3 TRP A 32 -0.504 -1.213 3.668 1.00 0.00 C ATOM 465 CH2 TRP A 32 0.242 -2.377 3.896 1.00 0.00 C ATOM 0 H TRP A 32 -1.462 0.818 8.946 1.00 0.00 H new ATOM 0 HA TRP A 32 -1.919 1.420 6.272 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -3.544 -0.112 8.334 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -3.966 -0.072 6.634 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.237 -2.255 8.927 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -0.534 -3.814 7.762 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -1.915 0.196 4.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 0.747 -3.942 5.261 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.423 -0.708 2.717 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.887 -2.754 3.116 1.00 0.00 H new ATOM 476 N SER A 33 -4.060 2.833 8.336 1.00 0.00 N ATOM 477 CA SER A 33 -5.098 3.852 8.434 1.00 0.00 C ATOM 478 C SER A 33 -4.591 5.196 7.919 1.00 0.00 C ATOM 479 O SER A 33 -5.254 5.857 7.120 1.00 0.00 O ATOM 480 CB SER A 33 -5.570 3.993 9.882 1.00 0.00 C ATOM 481 OG SER A 33 -6.852 4.592 9.946 1.00 0.00 O ATOM 0 H SER A 33 -3.760 2.449 9.232 1.00 0.00 H new ATOM 0 HA SER A 33 -5.939 3.539 7.815 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.600 3.011 10.355 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.856 4.595 10.443 1.00 0.00 H new ATOM 0 HG SER A 33 -7.131 4.669 10.882 1.00 0.00 H new ATOM 487 N ARG A 34 -3.410 5.592 8.383 1.00 0.00 N ATOM 488 CA ARG A 34 -2.813 6.857 7.971 1.00 0.00 C ATOM 489 C ARG A 34 -2.494 6.847 6.479 1.00 0.00 C ATOM 490 O ARG A 34 -2.757 7.821 5.772 1.00 0.00 O ATOM 491 CB ARG A 34 -1.540 7.130 8.774 1.00 0.00 C ATOM 492 CG ARG A 34 -1.177 8.603 8.858 1.00 0.00 C ATOM 493 CD ARG A 34 -0.001 8.835 9.793 1.00 0.00 C ATOM 494 NE ARG A 34 0.514 10.198 9.698 1.00 0.00 N ATOM 495 CZ ARG A 34 -0.025 11.233 10.334 1.00 0.00 C ATOM 496 NH1 ARG A 34 -1.088 11.059 11.107 1.00 0.00 N ATOM 497 NH2 ARG A 34 0.500 12.443 10.198 1.00 0.00 N ATOM 0 H ARG A 34 -2.848 5.056 9.044 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.534 7.651 8.165 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.666 6.737 9.783 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -0.711 6.586 8.321 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -0.931 8.975 7.863 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.039 9.172 9.208 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -0.309 8.635 10.819 1.00 0.00 H new ATOM 0 HD3 ARG A 34 0.795 8.129 9.556 1.00 0.00 H new ATOM 0 HE ARG A 34 1.332 10.365 9.112 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -1.494 10.129 11.215 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -1.500 11.855 11.594 1.00 0.00 H new ATOM 0 HH21 ARG A 34 1.318 12.580 9.605 1.00 0.00 H new ATOM 0 HH22 ARG A 34 0.085 13.237 10.687 1.00 0.00 H new ATOM 511 N ILE A 35 -1.927 5.742 6.007 1.00 0.00 N ATOM 512 CA ILE A 35 -1.573 5.606 4.600 1.00 0.00 C ATOM 513 C ILE A 35 -2.783 5.844 3.703 1.00 0.00 C ATOM 514 O ILE A 35 -2.706 6.587 2.725 1.00 0.00 O ATOM 515 CB ILE A 35 -0.991 4.212 4.298 1.00 0.00 C ATOM 516 CG1 ILE A 35 0.367 4.043 4.983 1.00 0.00 C ATOM 517 CG2 ILE A 35 -0.861 4.007 2.796 1.00 0.00 C ATOM 518 CD1 ILE A 35 0.869 2.616 4.986 1.00 0.00 C ATOM 0 H ILE A 35 -1.703 4.928 6.579 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.815 6.361 4.391 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.672 3.457 4.691 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.099 4.676 4.482 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.292 4.395 6.012 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.448 3.018 2.598 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.843 4.090 2.331 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.198 4.766 2.381 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.836 2.571 5.488 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.157 1.981 5.513 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.976 2.266 3.959 1.00 0.00 H new ATOM 530 N ALA A 36 -3.900 5.211 4.045 1.00 0.00 N ATOM 531 CA ALA A 36 -5.128 5.357 3.274 1.00 0.00 C ATOM 532 C ALA A 36 -5.392 6.820 2.933 1.00 0.00 C ATOM 533 O ALA A 36 -5.758 7.148 1.805 1.00 0.00 O ATOM 534 CB ALA A 36 -6.305 4.771 4.039 1.00 0.00 C ATOM 0 H ALA A 36 -3.980 4.592 4.852 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.008 4.809 2.339 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.215 4.887 3.451 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.127 3.712 4.226 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.418 5.293 4.989 1.00 0.00 H new ATOM 540 N SER A 37 -5.204 7.695 3.916 1.00 0.00 N ATOM 541 CA SER A 37 -5.426 9.123 3.721 1.00 0.00 C ATOM 542 C SER A 37 -4.755 9.607 2.439 1.00 0.00 C ATOM 543 O SER A 37 -5.324 10.400 1.688 1.00 0.00 O ATOM 544 CB SER A 37 -4.892 9.911 4.919 1.00 0.00 C ATOM 545 OG SER A 37 -5.688 9.690 6.070 1.00 0.00 O ATOM 0 H SER A 37 -4.899 7.440 4.855 1.00 0.00 H new ATOM 0 HA SER A 37 -6.499 9.291 3.634 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.863 9.616 5.123 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.878 10.975 4.682 1.00 0.00 H new ATOM 0 HG SER A 37 -5.325 10.203 6.822 1.00 0.00 H new ATOM 551 N LEU A 38 -3.541 9.124 2.196 1.00 0.00 N ATOM 552 CA LEU A 38 -2.791 9.507 1.005 1.00 0.00 C ATOM 553 C LEU A 38 -3.591 9.214 -0.260 1.00 0.00 C ATOM 554 O LEU A 38 -3.674 10.048 -1.163 1.00 0.00 O ATOM 555 CB LEU A 38 -1.454 8.765 0.960 1.00 0.00 C ATOM 556 CG LEU A 38 -0.595 8.852 2.222 1.00 0.00 C ATOM 557 CD1 LEU A 38 0.518 7.817 2.183 1.00 0.00 C ATOM 558 CD2 LEU A 38 -0.019 10.252 2.379 1.00 0.00 C ATOM 0 H LEU A 38 -3.056 8.467 2.807 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.603 10.580 1.053 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.652 7.714 0.751 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.874 9.153 0.123 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.228 8.642 3.084 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.119 7.894 3.089 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.085 6.819 2.119 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.150 7.995 1.313 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.590 10.296 3.282 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.599 10.490 1.513 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.832 10.974 2.454 1.00 0.00 H new ATOM 570 N LEU A 39 -4.179 8.024 -0.320 1.00 0.00 N ATOM 571 CA LEU A 39 -4.975 7.621 -1.474 1.00 0.00 C ATOM 572 C LEU A 39 -6.419 8.092 -1.331 1.00 0.00 C ATOM 573 O LEU A 39 -7.047 7.897 -0.289 1.00 0.00 O ATOM 574 CB LEU A 39 -4.937 6.100 -1.638 1.00 0.00 C ATOM 575 CG LEU A 39 -3.548 5.461 -1.651 1.00 0.00 C ATOM 576 CD1 LEU A 39 -3.622 4.015 -1.185 1.00 0.00 C ATOM 577 CD2 LEU A 39 -2.935 5.545 -3.041 1.00 0.00 C ATOM 0 H LEU A 39 -4.119 7.321 0.417 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.546 8.087 -2.361 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.513 5.653 -0.828 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.442 5.842 -2.569 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.909 6.012 -0.961 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.624 3.576 -1.201 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.018 3.980 -0.170 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.277 3.452 -1.850 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.947 5.085 -3.031 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.573 5.020 -3.752 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.846 6.590 -3.337 1.00 0.00 H new ATOM 589 N HIS A 40 -6.941 8.712 -2.385 1.00 0.00 N ATOM 590 CA HIS A 40 -8.312 9.209 -2.378 1.00 0.00 C ATOM 591 C HIS A 40 -9.305 8.066 -2.564 1.00 0.00 C ATOM 592 O HIS A 40 -9.125 7.210 -3.430 1.00 0.00 O ATOM 593 CB HIS A 40 -8.505 10.252 -3.479 1.00 0.00 C ATOM 594 CG HIS A 40 -9.933 10.652 -3.682 1.00 0.00 C ATOM 595 ND1 HIS A 40 -10.453 10.989 -4.914 1.00 0.00 N ATOM 596 CD2 HIS A 40 -10.954 10.767 -2.800 1.00 0.00 C ATOM 597 CE1 HIS A 40 -11.731 11.296 -4.781 1.00 0.00 C ATOM 598 NE2 HIS A 40 -12.060 11.169 -3.508 1.00 0.00 N ATOM 0 H HIS A 40 -6.435 8.882 -3.254 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.498 9.675 -1.410 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -7.919 11.138 -3.235 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -8.110 9.857 -4.415 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -10.907 10.578 -1.738 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -12.394 11.599 -5.578 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -12.985 11.341 -3.115 1.00 0.00 H new ATOM 607 N ARG A 41 -10.352 8.058 -1.745 1.00 0.00 N ATOM 608 CA ARG A 41 -11.372 7.019 -1.819 1.00 0.00 C ATOM 609 C ARG A 41 -10.800 5.666 -1.407 1.00 0.00 C ATOM 610 O ARG A 41 -11.109 4.639 -2.011 1.00 0.00 O ATOM 611 CB ARG A 41 -11.942 6.934 -3.235 1.00 0.00 C ATOM 612 CG ARG A 41 -12.431 8.268 -3.777 1.00 0.00 C ATOM 613 CD ARG A 41 -13.545 8.082 -4.794 1.00 0.00 C ATOM 614 NE ARG A 41 -13.081 7.395 -5.996 1.00 0.00 N ATOM 615 CZ ARG A 41 -13.879 6.709 -6.806 1.00 0.00 C ATOM 616 NH1 ARG A 41 -15.176 6.620 -6.545 1.00 0.00 N ATOM 617 NH2 ARG A 41 -13.382 6.112 -7.881 1.00 0.00 N ATOM 0 H ARG A 41 -10.516 8.759 -1.023 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.173 7.281 -1.128 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.176 6.539 -3.903 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.769 6.224 -3.243 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -12.788 8.887 -2.954 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -11.600 8.801 -4.240 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -14.357 7.512 -4.342 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -13.952 9.055 -5.067 1.00 0.00 H new ATOM 0 HE ARG A 41 -12.089 7.445 -6.226 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -15.563 7.079 -5.720 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -15.787 6.092 -7.169 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -12.385 6.179 -8.087 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -13.997 5.586 -8.502 1.00 0.00 H new ATOM 631 N LYS A 42 -9.963 5.672 -0.375 1.00 0.00 N ATOM 632 CA LYS A 42 -9.348 4.446 0.120 1.00 0.00 C ATOM 633 C LYS A 42 -9.340 4.418 1.645 1.00 0.00 C ATOM 634 O LYS A 42 -9.061 5.427 2.292 1.00 0.00 O ATOM 635 CB LYS A 42 -7.918 4.319 -0.411 1.00 0.00 C ATOM 636 CG LYS A 42 -7.844 3.857 -1.856 1.00 0.00 C ATOM 637 CD LYS A 42 -8.237 2.395 -1.994 1.00 0.00 C ATOM 638 CE LYS A 42 -8.451 2.011 -3.450 1.00 0.00 C ATOM 639 NZ LYS A 42 -9.609 2.731 -4.049 1.00 0.00 N ATOM 0 H LYS A 42 -9.695 6.513 0.135 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.939 3.603 -0.238 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.419 5.284 -0.321 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.368 3.616 0.215 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.503 4.471 -2.470 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.831 4.000 -2.233 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.459 1.766 -1.561 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.150 2.208 -1.429 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.550 2.234 -4.021 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.615 0.936 -3.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.277 2.042 -4.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.087 3.291 -3.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.272 3.364 -4.802 1.00 0.00 H new ATOM 653 N SER A 43 -9.646 3.256 2.212 1.00 0.00 N ATOM 654 CA SER A 43 -9.676 3.097 3.661 1.00 0.00 C ATOM 655 C SER A 43 -8.639 2.076 4.118 1.00 0.00 C ATOM 656 O SER A 43 -8.232 1.204 3.351 1.00 0.00 O ATOM 657 CB SER A 43 -11.070 2.664 4.120 1.00 0.00 C ATOM 658 OG SER A 43 -11.227 2.845 5.516 1.00 0.00 O ATOM 0 H SER A 43 -9.877 2.411 1.690 1.00 0.00 H new ATOM 0 HA SER A 43 -9.435 4.060 4.111 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.827 3.241 3.588 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.231 1.616 3.866 1.00 0.00 H new ATOM 0 HG SER A 43 -12.127 2.563 5.783 1.00 0.00 H new ATOM 664 N ALA A 44 -8.215 2.192 5.372 1.00 0.00 N ATOM 665 CA ALA A 44 -7.227 1.279 5.933 1.00 0.00 C ATOM 666 C ALA A 44 -7.418 -0.135 5.393 1.00 0.00 C ATOM 667 O ALA A 44 -6.519 -0.698 4.767 1.00 0.00 O ATOM 668 CB ALA A 44 -7.308 1.281 7.452 1.00 0.00 C ATOM 0 H ALA A 44 -8.541 2.910 6.019 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.238 1.625 5.633 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.564 0.595 7.857 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.115 2.287 7.825 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.303 0.963 7.764 1.00 0.00 H new ATOM 674 N LYS A 45 -8.593 -0.703 5.640 1.00 0.00 N ATOM 675 CA LYS A 45 -8.902 -2.052 5.179 1.00 0.00 C ATOM 676 C LYS A 45 -8.314 -2.301 3.794 1.00 0.00 C ATOM 677 O LYS A 45 -7.473 -3.182 3.617 1.00 0.00 O ATOM 678 CB LYS A 45 -10.417 -2.267 5.148 1.00 0.00 C ATOM 679 CG LYS A 45 -10.837 -3.532 4.419 1.00 0.00 C ATOM 680 CD LYS A 45 -10.350 -4.778 5.139 1.00 0.00 C ATOM 681 CE LYS A 45 -11.190 -5.074 6.372 1.00 0.00 C ATOM 682 NZ LYS A 45 -10.482 -5.977 7.321 1.00 0.00 N ATOM 0 H LYS A 45 -9.347 -0.251 6.157 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.455 -2.760 5.877 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -10.791 -2.306 6.171 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.888 -1.408 4.669 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -11.923 -3.561 4.334 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -10.439 -3.518 3.405 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -10.387 -5.630 4.460 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.308 -4.647 5.430 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.438 -4.140 6.876 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.132 -5.532 6.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.087 -6.155 8.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.268 -6.878 6.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.596 -5.529 7.630 1.00 0.00 H new ATOM 696 N GLN A 46 -8.763 -1.521 2.816 1.00 0.00 N ATOM 697 CA GLN A 46 -8.280 -1.658 1.447 1.00 0.00 C ATOM 698 C GLN A 46 -6.757 -1.731 1.412 1.00 0.00 C ATOM 699 O GLN A 46 -6.183 -2.732 0.980 1.00 0.00 O ATOM 700 CB GLN A 46 -8.765 -0.486 0.593 1.00 0.00 C ATOM 701 CG GLN A 46 -10.249 -0.543 0.269 1.00 0.00 C ATOM 702 CD GLN A 46 -11.054 -1.246 1.344 1.00 0.00 C ATOM 703 OE1 GLN A 46 -11.177 -0.753 2.466 1.00 0.00 O ATOM 704 NE2 GLN A 46 -11.609 -2.404 1.007 1.00 0.00 N ATOM 0 H GLN A 46 -9.460 -0.788 2.946 1.00 0.00 H new ATOM 0 HA GLN A 46 -8.680 -2.586 1.039 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.551 0.446 1.115 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.199 -0.467 -0.338 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.628 0.471 0.141 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.390 -1.059 -0.681 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -11.481 -2.776 0.066 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -12.163 -2.922 1.689 1.00 0.00 H new ATOM 713 N CYS A 47 -6.107 -0.666 1.869 1.00 0.00 N ATOM 714 CA CYS A 47 -4.650 -0.609 1.889 1.00 0.00 C ATOM 715 C CYS A 47 -4.060 -1.943 2.334 1.00 0.00 C ATOM 716 O CYS A 47 -3.090 -2.430 1.753 1.00 0.00 O ATOM 717 CB CYS A 47 -4.175 0.508 2.819 1.00 0.00 C ATOM 718 SG CYS A 47 -4.693 2.163 2.309 1.00 0.00 S ATOM 0 H CYS A 47 -6.566 0.170 2.231 1.00 0.00 H new ATOM 0 HA CYS A 47 -4.305 -0.400 0.876 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -4.551 0.315 3.823 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -3.087 0.481 2.876 1.00 0.00 H new ATOM 0 HG CYS A 47 -3.809 3.033 2.698 1.00 0.00 H new ATOM 724 N LYS A 48 -4.651 -2.529 3.370 1.00 0.00 N ATOM 725 CA LYS A 48 -4.185 -3.807 3.895 1.00 0.00 C ATOM 726 C LYS A 48 -4.542 -4.948 2.947 1.00 0.00 C ATOM 727 O LYS A 48 -3.744 -5.858 2.727 1.00 0.00 O ATOM 728 CB LYS A 48 -4.792 -4.067 5.275 1.00 0.00 C ATOM 729 CG LYS A 48 -4.077 -5.153 6.060 1.00 0.00 C ATOM 730 CD LYS A 48 -4.471 -5.133 7.527 1.00 0.00 C ATOM 731 CE LYS A 48 -3.888 -6.320 8.278 1.00 0.00 C ATOM 732 NZ LYS A 48 -4.344 -6.358 9.695 1.00 0.00 N ATOM 0 H LYS A 48 -5.454 -2.139 3.863 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.100 -3.760 3.986 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.773 -3.142 5.851 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.839 -4.346 5.155 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.313 -6.127 5.632 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.999 -5.018 5.970 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.125 -4.206 7.985 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.558 -5.145 7.613 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.178 -7.244 7.778 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.800 -6.270 8.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.925 -7.181 10.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.045 -5.488 10.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.381 -6.432 9.724 1.00 0.00 H new ATOM 746 N ALA A 49 -5.747 -4.891 2.388 1.00 0.00 N ATOM 747 CA ALA A 49 -6.208 -5.917 1.461 1.00 0.00 C ATOM 748 C ALA A 49 -5.449 -5.845 0.140 1.00 0.00 C ATOM 749 O ALA A 49 -4.712 -6.766 -0.214 1.00 0.00 O ATOM 750 CB ALA A 49 -7.704 -5.778 1.221 1.00 0.00 C ATOM 0 H ALA A 49 -6.421 -4.145 2.561 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.012 -6.891 1.909 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.034 -6.551 0.527 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.236 -5.888 2.166 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.915 -4.796 0.798 1.00 0.00 H new ATOM 756 N ARG A 50 -5.635 -4.747 -0.584 1.00 0.00 N ATOM 757 CA ARG A 50 -4.969 -4.556 -1.867 1.00 0.00 C ATOM 758 C ARG A 50 -3.504 -4.975 -1.787 1.00 0.00 C ATOM 759 O ARG A 50 -2.968 -5.573 -2.720 1.00 0.00 O ATOM 760 CB ARG A 50 -5.069 -3.094 -2.306 1.00 0.00 C ATOM 761 CG ARG A 50 -4.069 -2.712 -3.384 1.00 0.00 C ATOM 762 CD ARG A 50 -4.270 -3.533 -4.648 1.00 0.00 C ATOM 763 NE ARG A 50 -3.885 -2.795 -5.848 1.00 0.00 N ATOM 764 CZ ARG A 50 -4.283 -3.123 -7.072 1.00 0.00 C ATOM 765 NH1 ARG A 50 -5.074 -4.171 -7.257 1.00 0.00 N ATOM 766 NH2 ARG A 50 -3.890 -2.402 -8.114 1.00 0.00 N ATOM 0 H ARG A 50 -6.241 -3.976 -0.304 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.469 -5.184 -2.604 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -6.077 -2.902 -2.673 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.918 -2.452 -1.438 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -4.171 -1.652 -3.617 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.056 -2.860 -3.010 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.683 -4.449 -4.582 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.316 -3.829 -4.725 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.277 -1.983 -5.740 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.378 -4.728 -6.458 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -5.378 -4.421 -8.198 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.282 -1.595 -7.976 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -4.196 -2.655 -9.054 1.00 0.00 H new ATOM 780 N TRP A 51 -2.864 -4.656 -0.668 1.00 0.00 N ATOM 781 CA TRP A 51 -1.461 -4.999 -0.467 1.00 0.00 C ATOM 782 C TRP A 51 -1.275 -6.511 -0.387 1.00 0.00 C ATOM 783 O TRP A 51 -0.761 -7.132 -1.317 1.00 0.00 O ATOM 784 CB TRP A 51 -0.931 -4.340 0.808 1.00 0.00 C ATOM 785 CG TRP A 51 0.381 -4.901 1.265 1.00 0.00 C ATOM 786 CD1 TRP A 51 0.572 -5.931 2.142 1.00 0.00 C ATOM 787 CD2 TRP A 51 1.685 -4.461 0.870 1.00 0.00 C ATOM 788 NE1 TRP A 51 1.916 -6.157 2.316 1.00 0.00 N ATOM 789 CE2 TRP A 51 2.620 -5.270 1.546 1.00 0.00 C ATOM 790 CE3 TRP A 51 2.155 -3.465 0.010 1.00 0.00 C ATOM 791 CZ2 TRP A 51 3.994 -5.110 1.388 1.00 0.00 C ATOM 792 CZ3 TRP A 51 3.519 -3.307 -0.145 1.00 0.00 C ATOM 793 CH2 TRP A 51 4.426 -4.126 0.540 1.00 0.00 C ATOM 0 H TRP A 51 -3.294 -4.161 0.113 1.00 0.00 H new ATOM 0 HA TRP A 51 -0.896 -4.627 -1.322 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -0.820 -3.269 0.636 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -1.666 -4.461 1.603 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -0.217 -6.486 2.627 1.00 0.00 H new ATOM 0 HE1 TRP A 51 2.323 -6.870 2.921 1.00 0.00 H new ATOM 0 HE3 TRP A 51 1.464 -2.830 -0.524 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.694 -5.740 1.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.892 -2.539 -0.806 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.486 -3.978 0.396 1.00 0.00 H new ATOM 804 N TYR A 52 -1.697 -7.096 0.728 1.00 0.00 N ATOM 805 CA TYR A 52 -1.576 -8.535 0.929 1.00 0.00 C ATOM 806 C TYR A 52 -2.208 -9.302 -0.228 1.00 0.00 C ATOM 807 O TYR A 52 -1.918 -10.479 -0.438 1.00 0.00 O ATOM 808 CB TYR A 52 -2.235 -8.944 2.247 1.00 0.00 C ATOM 809 CG TYR A 52 -1.381 -8.664 3.463 1.00 0.00 C ATOM 810 CD1 TYR A 52 -0.214 -9.381 3.698 1.00 0.00 C ATOM 811 CD2 TYR A 52 -1.741 -7.682 4.378 1.00 0.00 C ATOM 812 CE1 TYR A 52 0.568 -9.129 4.808 1.00 0.00 C ATOM 813 CE2 TYR A 52 -0.964 -7.422 5.490 1.00 0.00 C ATOM 814 CZ TYR A 52 0.189 -8.149 5.701 1.00 0.00 C ATOM 815 OH TYR A 52 0.967 -7.894 6.808 1.00 0.00 O ATOM 0 H TYR A 52 -2.126 -6.596 1.507 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.515 -8.783 0.969 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.183 -8.415 2.349 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.466 -10.009 2.213 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.087 -10.149 3.000 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.644 -7.112 4.217 1.00 0.00 H new ATOM 0 HE1 TYR A 52 1.472 -9.696 4.976 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.258 -6.654 6.190 1.00 0.00 H new ATOM 0 HH TYR A 52 0.561 -7.174 7.334 1.00 0.00 H new ATOM 825 N GLU A 53 -3.073 -8.625 -0.976 1.00 0.00 N ATOM 826 CA GLU A 53 -3.747 -9.242 -2.112 1.00 0.00 C ATOM 827 C GLU A 53 -2.755 -9.553 -3.230 1.00 0.00 C ATOM 828 O GLU A 53 -2.649 -10.693 -3.681 1.00 0.00 O ATOM 829 CB GLU A 53 -4.854 -8.325 -2.638 1.00 0.00 C ATOM 830 CG GLU A 53 -6.204 -8.564 -1.984 1.00 0.00 C ATOM 831 CD GLU A 53 -7.322 -7.789 -2.653 1.00 0.00 C ATOM 832 OE1 GLU A 53 -7.207 -7.511 -3.865 1.00 0.00 O ATOM 833 OE2 GLU A 53 -8.311 -7.460 -1.966 1.00 0.00 O ATOM 0 H GLU A 53 -3.324 -7.649 -0.816 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.192 -10.178 -1.773 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.561 -7.287 -2.478 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.951 -8.467 -3.714 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.435 -9.629 -2.016 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.149 -8.281 -0.933 1.00 0.00 H new ATOM 840 N TRP A 54 -2.033 -8.530 -3.672 1.00 0.00 N ATOM 841 CA TRP A 54 -1.050 -8.693 -4.737 1.00 0.00 C ATOM 842 C TRP A 54 0.304 -8.129 -4.320 1.00 0.00 C ATOM 843 O TRP A 54 1.348 -8.716 -4.608 1.00 0.00 O ATOM 844 CB TRP A 54 -1.532 -8.002 -6.014 1.00 0.00 C ATOM 845 CG TRP A 54 -3.024 -7.993 -6.157 1.00 0.00 C ATOM 846 CD1 TRP A 54 -3.846 -6.904 -6.094 1.00 0.00 C ATOM 847 CD2 TRP A 54 -3.870 -9.125 -6.385 1.00 0.00 C ATOM 848 NE1 TRP A 54 -5.153 -7.291 -6.269 1.00 0.00 N ATOM 849 CE2 TRP A 54 -5.195 -8.649 -6.450 1.00 0.00 C ATOM 850 CE3 TRP A 54 -3.639 -10.494 -6.542 1.00 0.00 C ATOM 851 CZ2 TRP A 54 -6.280 -9.494 -6.664 1.00 0.00 C ATOM 852 CZ3 TRP A 54 -4.717 -11.332 -6.755 1.00 0.00 C ATOM 853 CH2 TRP A 54 -6.024 -10.830 -6.815 1.00 0.00 C ATOM 0 H TRP A 54 -2.109 -7.579 -3.310 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.934 -9.760 -4.930 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -1.167 -6.975 -6.023 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -1.094 -8.503 -6.877 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.517 -5.888 -5.931 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.961 -6.668 -6.265 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.635 -10.890 -6.498 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -7.288 -9.109 -6.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -4.549 -12.392 -6.877 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -6.845 -11.511 -6.984 1.00 0.00 H new ATOM 864 N LEU A 55 0.280 -6.988 -3.640 1.00 0.00 N ATOM 865 CA LEU A 55 1.507 -6.344 -3.183 1.00 0.00 C ATOM 866 C LEU A 55 1.984 -6.954 -1.869 1.00 0.00 C ATOM 867 O LEU A 55 1.568 -6.533 -0.789 1.00 0.00 O ATOM 868 CB LEU A 55 1.284 -4.841 -3.009 1.00 0.00 C ATOM 869 CG LEU A 55 0.236 -4.208 -3.925 1.00 0.00 C ATOM 870 CD1 LEU A 55 0.171 -2.705 -3.703 1.00 0.00 C ATOM 871 CD2 LEU A 55 0.543 -4.520 -5.382 1.00 0.00 C ATOM 0 H LEU A 55 -0.575 -6.490 -3.393 1.00 0.00 H new ATOM 0 HA LEU A 55 2.276 -6.505 -3.938 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.994 -4.654 -1.975 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.234 -4.332 -3.171 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.737 -4.634 -3.680 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.580 -2.272 -4.363 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.097 -2.502 -2.666 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.143 -2.263 -3.920 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.213 -4.062 -6.019 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.525 -4.123 -5.640 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.538 -5.600 -5.532 1.00 0.00 H new ATOM 883 N ASP A 56 2.862 -7.947 -1.967 1.00 0.00 N ATOM 884 CA ASP A 56 3.399 -8.613 -0.786 1.00 0.00 C ATOM 885 C ASP A 56 4.493 -9.603 -1.172 1.00 0.00 C ATOM 886 O ASP A 56 4.397 -10.315 -2.172 1.00 0.00 O ATOM 887 CB ASP A 56 2.283 -9.336 -0.031 1.00 0.00 C ATOM 888 CG ASP A 56 2.635 -9.584 1.423 1.00 0.00 C ATOM 889 OD1 ASP A 56 2.802 -8.597 2.170 1.00 0.00 O ATOM 890 OD2 ASP A 56 2.742 -10.765 1.814 1.00 0.00 O ATOM 0 H ASP A 56 3.217 -8.308 -2.852 1.00 0.00 H new ATOM 0 HA ASP A 56 3.834 -7.853 -0.136 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.369 -8.744 -0.085 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.075 -10.288 -0.519 1.00 0.00 H new ATOM 895 N PRO A 57 5.561 -9.651 -0.361 1.00 0.00 N ATOM 896 CA PRO A 57 6.694 -10.550 -0.597 1.00 0.00 C ATOM 897 C PRO A 57 6.332 -12.013 -0.368 1.00 0.00 C ATOM 898 O PRO A 57 6.604 -12.869 -1.209 1.00 0.00 O ATOM 899 CB PRO A 57 7.732 -10.089 0.430 1.00 0.00 C ATOM 900 CG PRO A 57 6.934 -9.460 1.519 1.00 0.00 C ATOM 901 CD PRO A 57 5.743 -8.832 0.849 1.00 0.00 C ATOM 0 HA PRO A 57 7.043 -10.503 -1.628 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.319 -10.928 0.803 1.00 0.00 H new ATOM 0 HB3 PRO A 57 8.434 -9.379 -0.008 1.00 0.00 H new ATOM 0 HG2 PRO A 57 6.622 -10.203 2.253 1.00 0.00 H new ATOM 0 HG3 PRO A 57 7.522 -8.712 2.052 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.861 -8.859 1.489 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.926 -7.786 0.603 1.00 0.00 H new