USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 433 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 54 GLN : amide:sc= -5.76! C(o=-5.5!,f=-7.2!) USER MOD Set 1.2: A 58 TYR OH : rot 180:sc= 0.22 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0766 USER MOD Single : A 16 GLN : amide:sc= -0.436 X(o=-0.44,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -149:sc= -0.288 (180deg=-1.51!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.284 X(o=-0.28,f=-0.3) USER MOD Single : A 38 LYS NZ :NH3+ -120:sc= -1.8! (180deg=-1.91!) USER MOD Single : A 45 ASN : amide:sc= -3.45 K(o=-3.4,f=-5!) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.159 USER MOD Single : A 49 LYS NZ :NH3+ 156:sc= -0.39 (180deg=-1.38!) USER MOD Single : A 50 GLN : amide:sc= -8.95! C(o=-8.9!,f=-11!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.807 K(o=-0.81,f=-3!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 116 N TRP A 11 4.313 0.677 8.578 1.00 0.00 N ATOM 117 CA TRP A 11 2.887 0.426 8.750 1.00 0.00 C ATOM 118 C TRP A 11 2.639 -0.530 9.911 1.00 0.00 C ATOM 119 O TRP A 11 3.348 -1.523 10.074 1.00 0.00 O ATOM 120 CB TRP A 11 2.290 -0.147 7.464 1.00 0.00 C ATOM 121 CG TRP A 11 2.089 0.881 6.392 1.00 0.00 C ATOM 122 CD1 TRP A 11 3.051 1.654 5.807 1.00 0.00 C ATOM 123 CD2 TRP A 11 0.849 1.250 5.780 1.00 0.00 C ATOM 124 NE1 TRP A 11 2.484 2.480 4.868 1.00 0.00 N ATOM 125 CE2 TRP A 11 1.134 2.252 4.832 1.00 0.00 C ATOM 126 CE3 TRP A 11 -0.475 0.831 5.939 1.00 0.00 C ATOM 127 CZ2 TRP A 11 0.143 2.839 4.049 1.00 0.00 C ATOM 128 CZ3 TRP A 11 -1.457 1.414 5.162 1.00 0.00 C ATOM 129 CH2 TRP A 11 -1.144 2.409 4.225 1.00 0.00 C ATOM 0 HA TRP A 11 2.401 1.375 8.976 1.00 0.00 H new ATOM 0 HB2 TRP A 11 2.945 -0.932 7.086 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.332 -0.614 7.693 1.00 0.00 H new ATOM 0 HD1 TRP A 11 4.103 1.621 6.048 1.00 0.00 H new ATOM 0 HE1 TRP A 11 2.987 3.154 4.291 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.726 0.064 6.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 0.382 3.607 3.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.483 1.098 5.278 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -1.934 2.844 3.631 1.00 0.00 H new ATOM 140 N THR A 12 1.626 -0.226 10.718 1.00 0.00 N ATOM 141 CA THR A 12 1.285 -1.059 11.864 1.00 0.00 C ATOM 142 C THR A 12 0.182 -2.050 11.515 1.00 0.00 C ATOM 143 O THR A 12 -0.435 -1.959 10.453 1.00 0.00 O ATOM 144 CB THR A 12 0.832 -0.205 13.064 1.00 0.00 C ATOM 145 OG1 THR A 12 0.766 -1.014 14.243 1.00 0.00 O ATOM 146 CG2 THR A 12 -0.527 0.425 12.797 1.00 0.00 C ATOM 0 H THR A 12 1.028 0.591 10.598 1.00 0.00 H new ATOM 0 HA THR A 12 2.187 -1.606 12.137 1.00 0.00 H new ATOM 0 HB THR A 12 1.561 0.592 13.211 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.479 -0.464 15.002 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.826 1.023 13.658 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.465 1.063 11.915 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.264 -0.359 12.626 1.00 0.00 H new ATOM 154 N VAL A 13 -0.063 -2.998 12.415 1.00 0.00 N ATOM 155 CA VAL A 13 -1.095 -4.006 12.202 1.00 0.00 C ATOM 156 C VAL A 13 -2.426 -3.361 11.833 1.00 0.00 C ATOM 157 O VAL A 13 -3.104 -3.801 10.905 1.00 0.00 O ATOM 158 CB VAL A 13 -1.291 -4.881 13.454 1.00 0.00 C ATOM 159 CG1 VAL A 13 -1.608 -4.017 14.665 1.00 0.00 C ATOM 160 CG2 VAL A 13 -2.388 -5.908 13.219 1.00 0.00 C ATOM 0 H VAL A 13 0.439 -3.089 13.298 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.758 -4.634 11.377 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.362 -5.415 13.652 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.743 -4.653 15.540 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.785 -3.324 14.843 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.523 -3.454 14.481 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.513 -6.518 14.114 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.324 -5.396 12.995 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.114 -6.547 12.380 1.00 0.00 H new ATOM 170 N GLU A 14 -2.794 -2.314 12.565 1.00 0.00 N ATOM 171 CA GLU A 14 -4.045 -1.609 12.314 1.00 0.00 C ATOM 172 C GLU A 14 -4.125 -1.144 10.863 1.00 0.00 C ATOM 173 O GLU A 14 -4.997 -1.577 10.110 1.00 0.00 O ATOM 174 CB GLU A 14 -4.176 -0.408 13.254 1.00 0.00 C ATOM 175 CG GLU A 14 -4.650 -0.777 14.649 1.00 0.00 C ATOM 176 CD GLU A 14 -6.146 -1.016 14.713 1.00 0.00 C ATOM 177 OE1 GLU A 14 -6.906 -0.025 14.725 1.00 0.00 O ATOM 178 OE2 GLU A 14 -6.558 -2.195 14.752 1.00 0.00 O ATOM 0 H GLU A 14 -2.244 -1.936 13.336 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.867 -2.300 12.502 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.210 0.092 13.328 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.874 0.308 12.820 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.128 -1.675 14.980 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.383 0.021 15.342 1.00 0.00 H new ATOM 185 N GLU A 15 -3.210 -0.259 10.479 1.00 0.00 N ATOM 186 CA GLU A 15 -3.179 0.265 9.119 1.00 0.00 C ATOM 187 C GLU A 15 -3.139 -0.869 8.099 1.00 0.00 C ATOM 188 O GLU A 15 -3.910 -0.882 7.140 1.00 0.00 O ATOM 189 CB GLU A 15 -1.967 1.179 8.929 1.00 0.00 C ATOM 190 CG GLU A 15 -2.159 2.573 9.503 1.00 0.00 C ATOM 191 CD GLU A 15 -1.739 2.668 10.957 1.00 0.00 C ATOM 192 OE1 GLU A 15 -2.562 2.337 11.836 1.00 0.00 O ATOM 193 OE2 GLU A 15 -0.586 3.072 11.215 1.00 0.00 O ATOM 0 H GLU A 15 -2.481 0.110 11.090 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.090 0.842 8.959 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.098 0.718 9.399 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.748 1.261 7.864 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.582 3.287 8.915 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.207 2.858 9.412 1.00 0.00 H new ATOM 200 N GLN A 16 -2.235 -1.819 8.315 1.00 0.00 N ATOM 201 CA GLN A 16 -2.093 -2.957 7.414 1.00 0.00 C ATOM 202 C GLN A 16 -3.456 -3.438 6.926 1.00 0.00 C ATOM 203 O GLN A 16 -3.782 -3.320 5.744 1.00 0.00 O ATOM 204 CB GLN A 16 -1.357 -4.100 8.114 1.00 0.00 C ATOM 205 CG GLN A 16 0.156 -3.952 8.094 1.00 0.00 C ATOM 206 CD GLN A 16 0.874 -5.273 8.287 1.00 0.00 C ATOM 207 OE1 GLN A 16 1.221 -5.951 7.319 1.00 0.00 O ATOM 208 NE2 GLN A 16 1.102 -5.646 9.541 1.00 0.00 N ATOM 0 H GLN A 16 -1.590 -1.823 9.105 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.511 -2.634 6.551 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -1.694 -4.158 9.149 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.628 -5.042 7.637 1.00 0.00 H new ATOM 0 HG2 GLN A 16 0.462 -3.512 7.145 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.460 -3.260 8.879 1.00 0.00 H new ATOM 0 HE21 GLN A 16 0.797 -5.053 10.313 1.00 0.00 H new ATOM 0 HE22 GLN A 16 1.582 -6.525 9.732 1.00 0.00 H new ATOM 217 N LYS A 17 -4.250 -3.981 7.843 1.00 0.00 N ATOM 218 CA LYS A 17 -5.578 -4.479 7.508 1.00 0.00 C ATOM 219 C LYS A 17 -6.458 -3.359 6.963 1.00 0.00 C ATOM 220 O LYS A 17 -7.311 -3.586 6.105 1.00 0.00 O ATOM 221 CB LYS A 17 -6.236 -5.106 8.739 1.00 0.00 C ATOM 222 CG LYS A 17 -6.362 -4.152 9.914 1.00 0.00 C ATOM 223 CD LYS A 17 -6.911 -4.852 11.145 1.00 0.00 C ATOM 224 CE LYS A 17 -5.796 -5.443 11.994 1.00 0.00 C ATOM 225 NZ LYS A 17 -5.315 -6.744 11.451 1.00 0.00 N ATOM 0 H LYS A 17 -3.996 -4.087 8.825 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.469 -5.240 6.735 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.228 -5.466 8.466 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.655 -5.975 9.048 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.386 -3.724 10.143 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.017 -3.324 9.643 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.487 -4.144 11.741 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.596 -5.643 10.840 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.964 -4.740 12.042 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.153 -5.585 13.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.990 -7.348 12.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.091 -7.218 10.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.527 -6.576 10.794 1.00 0.00 H new ATOM 239 N LYS A 18 -6.245 -2.148 7.466 1.00 0.00 N ATOM 240 CA LYS A 18 -7.016 -0.990 7.029 1.00 0.00 C ATOM 241 C LYS A 18 -6.804 -0.725 5.542 1.00 0.00 C ATOM 242 O LYS A 18 -7.703 -0.242 4.852 1.00 0.00 O ATOM 243 CB LYS A 18 -6.623 0.246 7.840 1.00 0.00 C ATOM 244 CG LYS A 18 -7.437 1.482 7.497 1.00 0.00 C ATOM 245 CD LYS A 18 -8.658 1.611 8.392 1.00 0.00 C ATOM 246 CE LYS A 18 -9.875 0.939 7.774 1.00 0.00 C ATOM 247 NZ LYS A 18 -11.084 1.084 8.632 1.00 0.00 N ATOM 0 H LYS A 18 -5.544 -1.943 8.178 1.00 0.00 H new ATOM 0 HA LYS A 18 -8.072 -1.204 7.195 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.741 0.027 8.901 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.567 0.459 7.674 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.813 2.370 7.601 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.752 1.434 6.455 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.448 1.163 9.363 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.873 2.665 8.567 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.071 1.373 6.794 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.665 -0.119 7.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.892 0.613 8.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.906 0.647 9.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.299 2.093 8.761 1.00 0.00 H new ATOM 261 N LEU A 19 -5.611 -1.046 5.053 1.00 0.00 N ATOM 262 CA LEU A 19 -5.281 -0.843 3.647 1.00 0.00 C ATOM 263 C LEU A 19 -5.653 -2.069 2.818 1.00 0.00 C ATOM 264 O LEU A 19 -6.218 -1.946 1.732 1.00 0.00 O ATOM 265 CB LEU A 19 -3.789 -0.543 3.491 1.00 0.00 C ATOM 266 CG LEU A 19 -3.183 -0.844 2.120 1.00 0.00 C ATOM 267 CD1 LEU A 19 -3.762 0.086 1.064 1.00 0.00 C ATOM 268 CD2 LEU A 19 -1.667 -0.722 2.168 1.00 0.00 C ATOM 0 H LEU A 19 -4.856 -1.448 5.609 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.857 0.008 3.284 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.626 0.511 3.714 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.243 -1.116 4.241 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.436 -1.869 1.850 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.319 -0.143 0.095 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.842 -0.052 1.011 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.541 1.120 1.329 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.253 -0.940 1.183 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.393 0.291 2.461 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.268 -1.430 2.894 1.00 0.00 H new ATOM 280 N GLU A 20 -5.335 -3.249 3.341 1.00 0.00 N ATOM 281 CA GLU A 20 -5.638 -4.497 2.649 1.00 0.00 C ATOM 282 C GLU A 20 -7.125 -4.586 2.315 1.00 0.00 C ATOM 283 O GLU A 20 -7.500 -5.001 1.219 1.00 0.00 O ATOM 284 CB GLU A 20 -5.224 -5.694 3.506 1.00 0.00 C ATOM 285 CG GLU A 20 -3.720 -5.846 3.655 1.00 0.00 C ATOM 286 CD GLU A 20 -3.325 -7.175 4.268 1.00 0.00 C ATOM 287 OE1 GLU A 20 -3.483 -8.211 3.588 1.00 0.00 O ATOM 288 OE2 GLU A 20 -2.857 -7.180 5.425 1.00 0.00 O ATOM 0 H GLU A 20 -4.868 -3.367 4.240 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.072 -4.514 1.717 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.670 -5.593 4.495 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.630 -6.604 3.064 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.250 -5.748 2.676 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.337 -5.036 4.275 1.00 0.00 H new ATOM 295 N GLN A 21 -7.964 -4.194 3.268 1.00 0.00 N ATOM 296 CA GLN A 21 -9.409 -4.231 3.075 1.00 0.00 C ATOM 297 C GLN A 21 -9.843 -3.223 2.016 1.00 0.00 C ATOM 298 O GLN A 21 -10.574 -3.560 1.085 1.00 0.00 O ATOM 299 CB GLN A 21 -10.128 -3.945 4.394 1.00 0.00 C ATOM 300 CG GLN A 21 -10.011 -5.071 5.408 1.00 0.00 C ATOM 301 CD GLN A 21 -11.074 -4.999 6.486 1.00 0.00 C ATOM 302 OE1 GLN A 21 -11.030 -4.134 7.361 1.00 0.00 O ATOM 303 NE2 GLN A 21 -12.039 -5.910 6.428 1.00 0.00 N ATOM 0 H GLN A 21 -7.669 -3.847 4.181 1.00 0.00 H new ATOM 0 HA GLN A 21 -9.679 -5.230 2.731 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -9.721 -3.032 4.829 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.183 -3.759 4.190 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -10.086 -6.028 4.892 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -9.025 -5.036 5.872 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -12.037 -6.609 5.685 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -12.782 -5.911 7.126 1.00 0.00 H new ATOM 312 N LEU A 22 -9.388 -1.983 2.165 1.00 0.00 N ATOM 313 CA LEU A 22 -9.730 -0.924 1.221 1.00 0.00 C ATOM 314 C LEU A 22 -9.284 -1.289 -0.191 1.00 0.00 C ATOM 315 O LEU A 22 -10.022 -1.091 -1.157 1.00 0.00 O ATOM 316 CB LEU A 22 -9.082 0.394 1.648 1.00 0.00 C ATOM 317 CG LEU A 22 -9.705 1.086 2.861 1.00 0.00 C ATOM 318 CD1 LEU A 22 -8.753 2.126 3.430 1.00 0.00 C ATOM 319 CD2 LEU A 22 -11.034 1.727 2.485 1.00 0.00 C ATOM 0 H LEU A 22 -8.782 -1.687 2.930 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.814 -0.806 1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.030 0.206 1.863 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.117 1.083 0.804 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.890 0.334 3.628 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.214 2.608 4.292 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.826 1.641 3.737 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.536 2.875 2.669 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.463 2.215 3.360 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.872 2.466 1.700 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -11.719 0.960 2.125 1.00 0.00 H new ATOM 331 N LEU A 23 -8.074 -1.825 -0.304 1.00 0.00 N ATOM 332 CA LEU A 23 -7.530 -2.220 -1.599 1.00 0.00 C ATOM 333 C LEU A 23 -8.545 -3.040 -2.388 1.00 0.00 C ATOM 334 O LEU A 23 -8.713 -2.845 -3.593 1.00 0.00 O ATOM 335 CB LEU A 23 -6.243 -3.026 -1.409 1.00 0.00 C ATOM 336 CG LEU A 23 -4.991 -2.219 -1.062 1.00 0.00 C ATOM 337 CD1 LEU A 23 -3.845 -3.147 -0.690 1.00 0.00 C ATOM 338 CD2 LEU A 23 -4.597 -1.320 -2.224 1.00 0.00 C ATOM 0 H LEU A 23 -7.451 -1.996 0.485 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.305 -1.315 -2.163 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.410 -3.758 -0.619 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.049 -3.584 -2.325 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.215 -1.588 -0.202 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.962 -2.556 -0.446 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.129 -3.748 0.174 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.621 -3.804 -1.531 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.704 -0.753 -1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.392 -1.931 -3.103 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.412 -0.631 -2.443 1.00 0.00 H new ATOM 350 N ILE A 24 -9.221 -3.955 -1.702 1.00 0.00 N ATOM 351 CA ILE A 24 -10.222 -4.802 -2.339 1.00 0.00 C ATOM 352 C ILE A 24 -11.413 -3.979 -2.818 1.00 0.00 C ATOM 353 O ILE A 24 -11.811 -4.062 -3.981 1.00 0.00 O ATOM 354 CB ILE A 24 -10.722 -5.899 -1.382 1.00 0.00 C ATOM 355 CG1 ILE A 24 -9.553 -6.765 -0.907 1.00 0.00 C ATOM 356 CG2 ILE A 24 -11.780 -6.755 -2.063 1.00 0.00 C ATOM 357 CD1 ILE A 24 -9.781 -7.399 0.447 1.00 0.00 C ATOM 0 H ILE A 24 -9.094 -4.129 -0.705 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.739 -5.272 -3.196 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.173 -5.422 -0.512 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -9.372 -7.550 -1.641 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -8.652 -6.153 -0.865 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -12.123 -7.526 -1.373 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -12.622 -6.128 -2.355 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -11.353 -7.225 -2.949 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -8.912 -7.998 0.719 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -9.932 -6.619 1.193 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -10.663 -8.038 0.406 1.00 0.00 H new ATOM 369 N LYS A 25 -11.977 -3.184 -1.916 1.00 0.00 N ATOM 370 CA LYS A 25 -13.121 -2.343 -2.246 1.00 0.00 C ATOM 371 C LYS A 25 -12.808 -1.440 -3.435 1.00 0.00 C ATOM 372 O LYS A 25 -13.664 -1.198 -4.286 1.00 0.00 O ATOM 373 CB LYS A 25 -13.521 -1.493 -1.038 1.00 0.00 C ATOM 374 CG LYS A 25 -14.659 -0.528 -1.322 1.00 0.00 C ATOM 375 CD LYS A 25 -14.623 0.668 -0.385 1.00 0.00 C ATOM 376 CE LYS A 25 -15.962 1.389 -0.351 1.00 0.00 C ATOM 377 NZ LYS A 25 -16.931 0.715 0.557 1.00 0.00 N ATOM 0 H LYS A 25 -11.660 -3.104 -0.950 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.953 -2.994 -2.516 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.811 -2.153 -0.220 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.653 -0.928 -0.699 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -14.597 -0.184 -2.355 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -15.612 -1.046 -1.215 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.361 0.337 0.620 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.844 1.360 -0.706 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -15.812 2.418 -0.024 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -16.377 1.432 -1.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -17.831 1.236 0.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -17.093 -0.259 0.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -16.546 0.696 1.523 1.00 0.00 H new ATOM 391 N TYR A 26 -11.576 -0.945 -3.487 1.00 0.00 N ATOM 392 CA TYR A 26 -11.151 -0.068 -4.571 1.00 0.00 C ATOM 393 C TYR A 26 -10.257 -0.814 -5.557 1.00 0.00 C ATOM 394 O TYR A 26 -9.041 -0.902 -5.389 1.00 0.00 O ATOM 395 CB TYR A 26 -10.408 1.147 -4.011 1.00 0.00 C ATOM 396 CG TYR A 26 -11.321 2.186 -3.400 1.00 0.00 C ATOM 397 CD1 TYR A 26 -12.059 3.048 -4.202 1.00 0.00 C ATOM 398 CD2 TYR A 26 -11.445 2.306 -2.022 1.00 0.00 C ATOM 399 CE1 TYR A 26 -12.894 3.999 -3.648 1.00 0.00 C ATOM 400 CE2 TYR A 26 -12.278 3.253 -1.459 1.00 0.00 C ATOM 401 CZ TYR A 26 -13.000 4.098 -2.276 1.00 0.00 C ATOM 402 OH TYR A 26 -13.831 5.044 -1.720 1.00 0.00 O ATOM 0 H TYR A 26 -10.855 -1.136 -2.791 1.00 0.00 H new ATOM 0 HA TYR A 26 -12.042 0.271 -5.100 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -9.697 0.811 -3.256 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -9.829 1.609 -4.811 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -11.978 2.973 -5.276 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.880 1.647 -1.379 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -13.461 4.661 -4.286 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -12.364 3.331 -0.385 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.791 4.980 -0.743 1.00 0.00 H new ATOM 412 N PRO A 27 -10.874 -1.366 -6.612 1.00 0.00 N ATOM 413 CA PRO A 27 -10.155 -2.114 -7.648 1.00 0.00 C ATOM 414 C PRO A 27 -9.275 -1.214 -8.508 1.00 0.00 C ATOM 415 O PRO A 27 -9.431 0.007 -8.532 1.00 0.00 O ATOM 416 CB PRO A 27 -11.278 -2.726 -8.488 1.00 0.00 C ATOM 417 CG PRO A 27 -12.442 -1.819 -8.284 1.00 0.00 C ATOM 418 CD PRO A 27 -12.321 -1.302 -6.877 1.00 0.00 C ATOM 0 HA PRO A 27 -9.475 -2.851 -7.221 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -11.000 -2.782 -9.540 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -11.506 -3.742 -8.164 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.430 -1.000 -9.003 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -13.382 -2.353 -8.424 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -12.701 -0.284 -6.789 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.886 -1.915 -6.174 1.00 0.00 H new ATOM 426 N PRO A 28 -8.328 -1.828 -9.233 1.00 0.00 N ATOM 427 CA PRO A 28 -7.406 -1.100 -10.110 1.00 0.00 C ATOM 428 C PRO A 28 -8.106 -0.521 -11.334 1.00 0.00 C ATOM 429 O PRO A 28 -8.763 -1.242 -12.084 1.00 0.00 O ATOM 430 CB PRO A 28 -6.395 -2.170 -10.528 1.00 0.00 C ATOM 431 CG PRO A 28 -7.134 -3.458 -10.404 1.00 0.00 C ATOM 432 CD PRO A 28 -8.086 -3.280 -9.253 1.00 0.00 C ATOM 0 HA PRO A 28 -6.957 -0.243 -9.608 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -6.048 -2.009 -11.549 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -5.514 -2.155 -9.886 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.672 -3.689 -11.323 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -6.448 -4.285 -10.219 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -9.009 -3.839 -9.405 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.653 -3.628 -8.315 1.00 0.00 H new ATOM 440 N GLU A 29 -7.959 0.786 -11.531 1.00 0.00 N ATOM 441 CA GLU A 29 -8.579 1.461 -12.666 1.00 0.00 C ATOM 442 C GLU A 29 -7.520 1.975 -13.637 1.00 0.00 C ATOM 443 O GLU A 29 -6.329 1.719 -13.465 1.00 0.00 O ATOM 444 CB GLU A 29 -9.450 2.622 -12.183 1.00 0.00 C ATOM 445 CG GLU A 29 -8.849 3.391 -11.018 1.00 0.00 C ATOM 446 CD GLU A 29 -9.266 2.831 -9.672 1.00 0.00 C ATOM 447 OE1 GLU A 29 -10.413 3.091 -9.252 1.00 0.00 O ATOM 448 OE2 GLU A 29 -8.447 2.133 -9.040 1.00 0.00 O ATOM 0 H GLU A 29 -7.417 1.397 -10.921 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.206 0.738 -13.188 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.618 3.309 -13.013 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.425 2.235 -11.887 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.762 3.369 -11.095 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.152 4.436 -11.082 1.00 0.00 H new ATOM 455 N GLU A 30 -7.965 2.701 -14.658 1.00 0.00 N ATOM 456 CA GLU A 30 -7.056 3.249 -15.658 1.00 0.00 C ATOM 457 C GLU A 30 -5.878 3.956 -14.993 1.00 0.00 C ATOM 458 O GLU A 30 -4.720 3.713 -15.334 1.00 0.00 O ATOM 459 CB GLU A 30 -7.798 4.224 -16.574 1.00 0.00 C ATOM 460 CG GLU A 30 -6.897 4.920 -17.581 1.00 0.00 C ATOM 461 CD GLU A 30 -7.505 6.198 -18.123 1.00 0.00 C ATOM 462 OE1 GLU A 30 -7.437 7.231 -17.424 1.00 0.00 O ATOM 463 OE2 GLU A 30 -8.050 6.166 -19.247 1.00 0.00 O ATOM 0 H GLU A 30 -8.948 2.923 -14.814 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.672 2.422 -16.255 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.578 3.683 -17.110 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.295 4.977 -15.962 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.941 5.148 -17.110 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.691 4.241 -18.408 1.00 0.00 H new ATOM 470 N VAL A 31 -6.182 4.834 -14.042 1.00 0.00 N ATOM 471 CA VAL A 31 -5.151 5.576 -13.328 1.00 0.00 C ATOM 472 C VAL A 31 -5.025 5.095 -11.887 1.00 0.00 C ATOM 473 O VAL A 31 -5.992 4.616 -11.296 1.00 0.00 O ATOM 474 CB VAL A 31 -5.444 7.088 -13.329 1.00 0.00 C ATOM 475 CG1 VAL A 31 -4.635 7.790 -12.249 1.00 0.00 C ATOM 476 CG2 VAL A 31 -5.155 7.685 -14.697 1.00 0.00 C ATOM 0 H VAL A 31 -7.135 5.048 -13.749 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.212 5.395 -13.852 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.501 7.236 -13.110 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.855 8.857 -12.265 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.897 7.380 -11.274 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.572 7.636 -12.433 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.367 8.754 -14.680 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.106 7.528 -14.949 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.784 7.202 -15.445 1.00 0.00 H new ATOM 486 N GLU A 32 -3.826 5.226 -11.327 1.00 0.00 N ATOM 487 CA GLU A 32 -3.575 4.804 -9.954 1.00 0.00 C ATOM 488 C GLU A 32 -3.603 5.998 -9.004 1.00 0.00 C ATOM 489 O GLU A 32 -3.967 5.866 -7.835 1.00 0.00 O ATOM 490 CB GLU A 32 -2.224 4.092 -9.855 1.00 0.00 C ATOM 491 CG GLU A 32 -1.045 4.967 -10.243 1.00 0.00 C ATOM 492 CD GLU A 32 0.261 4.197 -10.297 1.00 0.00 C ATOM 493 OE1 GLU A 32 0.949 4.121 -9.258 1.00 0.00 O ATOM 494 OE2 GLU A 32 0.593 3.669 -11.380 1.00 0.00 O ATOM 0 H GLU A 32 -3.014 5.621 -11.803 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.365 4.112 -9.664 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.083 3.739 -8.833 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.239 3.211 -10.497 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.237 5.418 -11.217 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.952 5.783 -9.527 1.00 0.00 H new ATOM 501 N SER A 33 -3.216 7.162 -9.514 1.00 0.00 N ATOM 502 CA SER A 33 -3.192 8.379 -8.711 1.00 0.00 C ATOM 503 C SER A 33 -4.507 8.559 -7.959 1.00 0.00 C ATOM 504 O SER A 33 -4.547 8.486 -6.731 1.00 0.00 O ATOM 505 CB SER A 33 -2.929 9.597 -9.599 1.00 0.00 C ATOM 506 OG SER A 33 -2.969 10.796 -8.846 1.00 0.00 O ATOM 0 H SER A 33 -2.915 7.288 -10.480 1.00 0.00 H new ATOM 0 HA SER A 33 -2.386 8.288 -7.983 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.955 9.498 -10.079 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.673 9.638 -10.394 1.00 0.00 H new ATOM 0 HG SER A 33 -2.796 11.559 -9.436 1.00 0.00 H new ATOM 512 N ARG A 34 -5.581 8.796 -8.705 1.00 0.00 N ATOM 513 CA ARG A 34 -6.898 8.988 -8.110 1.00 0.00 C ATOM 514 C ARG A 34 -7.274 7.802 -7.227 1.00 0.00 C ATOM 515 O ARG A 34 -7.812 7.975 -6.134 1.00 0.00 O ATOM 516 CB ARG A 34 -7.952 9.178 -9.203 1.00 0.00 C ATOM 517 CG ARG A 34 -7.595 8.504 -10.518 1.00 0.00 C ATOM 518 CD ARG A 34 -7.016 9.497 -11.513 1.00 0.00 C ATOM 519 NE ARG A 34 -7.775 10.744 -11.547 1.00 0.00 N ATOM 520 CZ ARG A 34 -7.271 11.900 -11.966 1.00 0.00 C ATOM 521 NH1 ARG A 34 -6.015 11.966 -12.386 1.00 0.00 N ATOM 522 NH2 ARG A 34 -8.025 12.992 -11.967 1.00 0.00 N ATOM 0 H ARG A 34 -5.565 8.860 -9.723 1.00 0.00 H new ATOM 0 HA ARG A 34 -6.862 9.884 -7.490 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.905 8.784 -8.849 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -8.093 10.245 -9.378 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.874 7.707 -10.336 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.484 8.038 -10.943 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.980 9.710 -11.251 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -7.008 9.051 -12.507 1.00 0.00 H new ATOM 0 HE ARG A 34 -8.745 10.727 -11.232 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.433 11.128 -12.388 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -5.631 12.855 -12.707 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -8.992 12.944 -11.646 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -7.638 13.879 -12.289 1.00 0.00 H new ATOM 536 N ARG A 35 -6.987 6.597 -7.710 1.00 0.00 N ATOM 537 CA ARG A 35 -7.297 5.382 -6.966 1.00 0.00 C ATOM 538 C ARG A 35 -6.721 5.448 -5.554 1.00 0.00 C ATOM 539 O ARG A 35 -7.343 4.985 -4.598 1.00 0.00 O ATOM 540 CB ARG A 35 -6.745 4.156 -7.696 1.00 0.00 C ATOM 541 CG ARG A 35 -6.869 2.867 -6.901 1.00 0.00 C ATOM 542 CD ARG A 35 -6.004 1.764 -7.491 1.00 0.00 C ATOM 543 NE ARG A 35 -5.959 0.585 -6.630 1.00 0.00 N ATOM 544 CZ ARG A 35 -5.399 -0.566 -6.988 1.00 0.00 C ATOM 545 NH1 ARG A 35 -4.840 -0.691 -8.184 1.00 0.00 N ATOM 546 NH2 ARG A 35 -5.398 -1.594 -6.149 1.00 0.00 N ATOM 0 H ARG A 35 -6.540 6.436 -8.613 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.381 5.296 -6.895 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.271 4.041 -8.644 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.695 4.327 -7.933 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.576 3.047 -5.867 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -7.911 2.546 -6.886 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.392 1.483 -8.470 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.992 2.140 -7.645 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.380 0.648 -5.703 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.839 0.097 -8.831 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.411 -1.575 -8.456 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.827 -1.501 -5.228 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.968 -2.477 -6.425 1.00 0.00 H new ATOM 560 N TRP A 36 -5.532 6.026 -5.432 1.00 0.00 N ATOM 561 CA TRP A 36 -4.872 6.152 -4.137 1.00 0.00 C ATOM 562 C TRP A 36 -5.558 7.208 -3.278 1.00 0.00 C ATOM 563 O TRP A 36 -5.517 7.143 -2.049 1.00 0.00 O ATOM 564 CB TRP A 36 -3.397 6.510 -4.326 1.00 0.00 C ATOM 565 CG TRP A 36 -2.691 5.621 -5.304 1.00 0.00 C ATOM 566 CD1 TRP A 36 -1.903 6.015 -6.348 1.00 0.00 C ATOM 567 CD2 TRP A 36 -2.711 4.190 -5.331 1.00 0.00 C ATOM 568 NE1 TRP A 36 -1.432 4.914 -7.023 1.00 0.00 N ATOM 569 CE2 TRP A 36 -1.912 3.783 -6.418 1.00 0.00 C ATOM 570 CE3 TRP A 36 -3.323 3.213 -4.542 1.00 0.00 C ATOM 571 CZ2 TRP A 36 -1.713 2.441 -6.734 1.00 0.00 C ATOM 572 CZ3 TRP A 36 -3.125 1.882 -4.857 1.00 0.00 C ATOM 573 CH2 TRP A 36 -2.325 1.506 -5.944 1.00 0.00 C ATOM 0 H TRP A 36 -5.005 6.415 -6.214 1.00 0.00 H new ATOM 0 HA TRP A 36 -4.943 5.192 -3.626 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.322 7.543 -4.665 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.890 6.453 -3.363 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -1.683 7.040 -6.605 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -0.824 4.936 -7.842 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.940 3.493 -3.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.098 2.149 -7.572 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.595 1.119 -4.255 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.189 0.457 -6.163 1.00 0.00 H new ATOM 584 N GLN A 37 -6.189 8.179 -3.931 1.00 0.00 N ATOM 585 CA GLN A 37 -6.883 9.249 -3.224 1.00 0.00 C ATOM 586 C GLN A 37 -8.098 8.709 -2.478 1.00 0.00 C ATOM 587 O GLN A 37 -8.356 9.086 -1.334 1.00 0.00 O ATOM 588 CB GLN A 37 -7.315 10.340 -4.205 1.00 0.00 C ATOM 589 CG GLN A 37 -7.765 11.624 -3.528 1.00 0.00 C ATOM 590 CD GLN A 37 -6.760 12.131 -2.513 1.00 0.00 C ATOM 591 OE1 GLN A 37 -5.795 12.812 -2.864 1.00 0.00 O ATOM 592 NE2 GLN A 37 -6.980 11.802 -1.245 1.00 0.00 N ATOM 0 H GLN A 37 -6.234 8.247 -4.948 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.194 9.677 -2.496 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.485 10.564 -4.875 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.129 9.960 -4.822 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.930 12.391 -4.285 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.721 11.454 -3.033 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.792 11.236 -0.998 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.337 12.115 -0.518 1.00 0.00 H new ATOM 601 N LYS A 38 -8.843 7.824 -3.132 1.00 0.00 N ATOM 602 CA LYS A 38 -10.032 7.231 -2.531 1.00 0.00 C ATOM 603 C LYS A 38 -9.666 6.409 -1.299 1.00 0.00 C ATOM 604 O LYS A 38 -10.199 6.632 -0.212 1.00 0.00 O ATOM 605 CB LYS A 38 -10.756 6.348 -3.549 1.00 0.00 C ATOM 606 CG LYS A 38 -11.265 7.109 -4.761 1.00 0.00 C ATOM 607 CD LYS A 38 -11.431 6.195 -5.964 1.00 0.00 C ATOM 608 CE LYS A 38 -11.752 6.985 -7.224 1.00 0.00 C ATOM 609 NZ LYS A 38 -10.610 7.842 -7.646 1.00 0.00 N ATOM 0 H LYS A 38 -8.644 7.501 -4.079 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.695 8.039 -2.223 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.079 5.562 -3.882 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.597 5.858 -3.059 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.221 7.576 -4.523 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.570 7.912 -5.006 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.516 5.622 -6.116 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.228 5.478 -5.770 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.007 6.296 -8.030 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.629 7.608 -7.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.907 8.839 -7.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.820 7.719 -6.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.304 7.567 -8.601 1.00 0.00 H new ATOM 623 N ILE A 39 -8.753 5.460 -1.476 1.00 0.00 N ATOM 624 CA ILE A 39 -8.315 4.608 -0.378 1.00 0.00 C ATOM 625 C ILE A 39 -7.755 5.438 0.773 1.00 0.00 C ATOM 626 O ILE A 39 -8.123 5.240 1.930 1.00 0.00 O ATOM 627 CB ILE A 39 -7.243 3.602 -0.839 1.00 0.00 C ATOM 628 CG1 ILE A 39 -7.872 2.524 -1.723 1.00 0.00 C ATOM 629 CG2 ILE A 39 -6.555 2.973 0.364 1.00 0.00 C ATOM 630 CD1 ILE A 39 -6.883 1.847 -2.647 1.00 0.00 C ATOM 0 H ILE A 39 -8.302 5.262 -2.369 1.00 0.00 H new ATOM 0 HA ILE A 39 -9.193 4.060 -0.035 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.493 4.134 -1.425 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.338 1.771 -1.088 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.666 2.973 -2.320 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.800 2.265 0.022 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.078 3.752 0.959 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -7.293 2.451 0.973 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -7.399 1.095 -3.244 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.435 2.589 -3.308 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.102 1.369 -2.056 1.00 0.00 H new ATOM 642 N ALA A 40 -6.865 6.369 0.445 1.00 0.00 N ATOM 643 CA ALA A 40 -6.257 7.232 1.450 1.00 0.00 C ATOM 644 C ALA A 40 -7.321 7.920 2.299 1.00 0.00 C ATOM 645 O ALA A 40 -7.334 7.787 3.523 1.00 0.00 O ATOM 646 CB ALA A 40 -5.360 8.265 0.786 1.00 0.00 C ATOM 0 H ALA A 40 -6.549 6.545 -0.509 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.650 6.610 2.108 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.913 8.902 1.549 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.572 7.758 0.229 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.951 8.876 0.104 1.00 0.00 H new ATOM 652 N ASP A 41 -8.210 8.656 1.641 1.00 0.00 N ATOM 653 CA ASP A 41 -9.279 9.365 2.336 1.00 0.00 C ATOM 654 C ASP A 41 -9.840 8.520 3.476 1.00 0.00 C ATOM 655 O ASP A 41 -9.983 8.997 4.601 1.00 0.00 O ATOM 656 CB ASP A 41 -10.396 9.731 1.358 1.00 0.00 C ATOM 657 CG ASP A 41 -11.223 10.908 1.838 1.00 0.00 C ATOM 658 OD1 ASP A 41 -10.725 12.051 1.769 1.00 0.00 O ATOM 659 OD2 ASP A 41 -12.369 10.685 2.282 1.00 0.00 O ATOM 0 H ASP A 41 -8.212 8.777 0.628 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.862 10.279 2.757 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.961 9.968 0.387 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.046 8.868 1.214 1.00 0.00 H new ATOM 664 N GLU A 42 -10.157 7.265 3.175 1.00 0.00 N ATOM 665 CA GLU A 42 -10.704 6.355 4.175 1.00 0.00 C ATOM 666 C GLU A 42 -9.754 6.214 5.360 1.00 0.00 C ATOM 667 O GLU A 42 -10.130 6.466 6.506 1.00 0.00 O ATOM 668 CB GLU A 42 -10.972 4.982 3.555 1.00 0.00 C ATOM 669 CG GLU A 42 -12.333 4.870 2.890 1.00 0.00 C ATOM 670 CD GLU A 42 -13.443 4.569 3.879 1.00 0.00 C ATOM 671 OE1 GLU A 42 -13.261 3.662 4.718 1.00 0.00 O ATOM 672 OE2 GLU A 42 -14.494 5.241 3.813 1.00 0.00 O ATOM 0 H GLU A 42 -10.045 6.855 2.248 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.644 6.773 4.534 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.198 4.768 2.818 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.892 4.221 4.331 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.557 5.802 2.371 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.301 4.084 2.135 1.00 0.00 H new ATOM 679 N LEU A 43 -8.521 5.809 5.077 1.00 0.00 N ATOM 680 CA LEU A 43 -7.515 5.633 6.119 1.00 0.00 C ATOM 681 C LEU A 43 -7.563 6.782 7.122 1.00 0.00 C ATOM 682 O LEU A 43 -7.626 6.562 8.330 1.00 0.00 O ATOM 683 CB LEU A 43 -6.120 5.540 5.499 1.00 0.00 C ATOM 684 CG LEU A 43 -5.838 4.289 4.666 1.00 0.00 C ATOM 685 CD1 LEU A 43 -4.785 4.579 3.607 1.00 0.00 C ATOM 686 CD2 LEU A 43 -5.394 3.141 5.561 1.00 0.00 C ATOM 0 H LEU A 43 -8.194 5.596 4.135 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.733 4.705 6.647 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.966 6.415 4.868 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.384 5.592 6.301 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.759 3.996 4.163 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.597 3.677 3.024 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.141 5.370 2.947 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.861 4.898 4.090 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.198 2.259 4.951 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.485 3.424 6.092 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.180 2.916 6.281 1.00 0.00 H new ATOM 698 N GLY A 44 -7.534 8.009 6.610 1.00 0.00 N ATOM 699 CA GLY A 44 -7.577 9.174 7.474 1.00 0.00 C ATOM 700 C GLY A 44 -6.195 9.685 7.826 1.00 0.00 C ATOM 701 O GLY A 44 -5.990 10.889 7.974 1.00 0.00 O ATOM 0 H GLY A 44 -7.482 8.217 5.613 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.140 9.967 6.982 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.113 8.924 8.390 1.00 0.00 H new ATOM 705 N ASN A 45 -5.243 8.768 7.963 1.00 0.00 N ATOM 706 CA ASN A 45 -3.873 9.133 8.303 1.00 0.00 C ATOM 707 C ASN A 45 -2.991 9.155 7.058 1.00 0.00 C ATOM 708 O ASN A 45 -2.411 10.185 6.714 1.00 0.00 O ATOM 709 CB ASN A 45 -3.301 8.152 9.329 1.00 0.00 C ATOM 710 CG ASN A 45 -3.595 6.707 8.974 1.00 0.00 C ATOM 711 OD1 ASN A 45 -2.741 6.002 8.436 1.00 0.00 O ATOM 712 ND2 ASN A 45 -4.809 6.260 9.273 1.00 0.00 N ATOM 0 H ASN A 45 -5.395 7.767 7.844 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.887 10.134 8.735 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.223 8.293 9.401 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.718 8.374 10.311 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.065 5.297 9.057 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.485 6.880 9.719 1.00 0.00 H new ATOM 719 N ARG A 46 -2.895 8.012 6.387 1.00 0.00 N ATOM 720 CA ARG A 46 -2.084 7.900 5.181 1.00 0.00 C ATOM 721 C ARG A 46 -2.645 8.777 4.065 1.00 0.00 C ATOM 722 O ARG A 46 -3.768 9.274 4.156 1.00 0.00 O ATOM 723 CB ARG A 46 -2.020 6.444 4.717 1.00 0.00 C ATOM 724 CG ARG A 46 -1.175 5.555 5.614 1.00 0.00 C ATOM 725 CD ARG A 46 0.263 6.044 5.688 1.00 0.00 C ATOM 726 NE ARG A 46 1.160 5.028 6.232 1.00 0.00 N ATOM 727 CZ ARG A 46 1.268 4.762 7.529 1.00 0.00 C ATOM 728 NH1 ARG A 46 0.538 5.432 8.410 1.00 0.00 N ATOM 729 NH2 ARG A 46 2.106 3.822 7.947 1.00 0.00 N ATOM 0 H ARG A 46 -3.369 7.150 6.658 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.077 8.243 5.418 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.032 6.042 4.671 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.617 6.412 3.705 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.605 5.533 6.615 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.194 4.533 5.237 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.600 6.329 4.692 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.310 6.939 6.309 1.00 0.00 H new ATOM 0 HE ARG A 46 1.735 4.494 5.581 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.109 6.154 8.093 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.623 5.225 9.405 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.668 3.303 7.272 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.188 3.618 8.943 1.00 0.00 H new ATOM 743 N THR A 47 -1.855 8.963 3.012 1.00 0.00 N ATOM 744 CA THR A 47 -2.271 9.781 1.880 1.00 0.00 C ATOM 745 C THR A 47 -2.115 9.022 0.567 1.00 0.00 C ATOM 746 O THR A 47 -1.443 7.993 0.510 1.00 0.00 O ATOM 747 CB THR A 47 -1.461 11.089 1.803 1.00 0.00 C ATOM 748 OG1 THR A 47 -1.986 11.930 0.770 1.00 0.00 O ATOM 749 CG2 THR A 47 0.008 10.801 1.533 1.00 0.00 C ATOM 0 H THR A 47 -0.923 8.558 2.920 1.00 0.00 H new ATOM 0 HA THR A 47 -3.323 10.023 2.035 1.00 0.00 H new ATOM 0 HB THR A 47 -1.544 11.599 2.763 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.467 12.760 0.729 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.560 11.740 1.483 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.412 10.185 2.337 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.107 10.271 0.586 1.00 0.00 H new ATOM 757 N ALA A 48 -2.738 9.538 -0.487 1.00 0.00 N ATOM 758 CA ALA A 48 -2.665 8.910 -1.801 1.00 0.00 C ATOM 759 C ALA A 48 -1.244 8.453 -2.113 1.00 0.00 C ATOM 760 O ALA A 48 -1.035 7.369 -2.657 1.00 0.00 O ATOM 761 CB ALA A 48 -3.160 9.870 -2.873 1.00 0.00 C ATOM 0 H ALA A 48 -3.299 10.389 -0.457 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.308 8.030 -1.792 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.100 9.388 -3.849 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.195 10.144 -2.667 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.540 10.767 -2.872 1.00 0.00 H new ATOM 767 N LYS A 49 -0.270 9.287 -1.766 1.00 0.00 N ATOM 768 CA LYS A 49 1.132 8.969 -2.008 1.00 0.00 C ATOM 769 C LYS A 49 1.593 7.824 -1.111 1.00 0.00 C ATOM 770 O LYS A 49 1.838 6.715 -1.584 1.00 0.00 O ATOM 771 CB LYS A 49 2.005 10.203 -1.767 1.00 0.00 C ATOM 772 CG LYS A 49 2.144 11.098 -2.986 1.00 0.00 C ATOM 773 CD LYS A 49 3.335 10.698 -3.839 1.00 0.00 C ATOM 774 CE LYS A 49 2.947 9.670 -4.891 1.00 0.00 C ATOM 775 NZ LYS A 49 1.781 10.118 -5.701 1.00 0.00 N ATOM 0 H LYS A 49 -0.426 10.189 -1.316 1.00 0.00 H new ATOM 0 HA LYS A 49 1.234 8.657 -3.047 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.581 10.783 -0.947 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.996 9.880 -1.449 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.234 11.045 -3.583 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.256 12.134 -2.667 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.748 11.581 -4.327 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.120 10.290 -3.202 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.796 9.485 -5.549 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.709 8.724 -4.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.792 9.635 -6.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.900 9.886 -5.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.835 11.146 -5.848 1.00 0.00 H new ATOM 789 N GLN A 50 1.708 8.102 0.183 1.00 0.00 N ATOM 790 CA GLN A 50 2.139 7.094 1.145 1.00 0.00 C ATOM 791 C GLN A 50 1.505 5.741 0.837 1.00 0.00 C ATOM 792 O GLN A 50 2.117 4.695 1.047 1.00 0.00 O ATOM 793 CB GLN A 50 1.778 7.528 2.567 1.00 0.00 C ATOM 794 CG GLN A 50 2.633 8.671 3.089 1.00 0.00 C ATOM 795 CD GLN A 50 3.061 9.627 1.994 1.00 0.00 C ATOM 796 OE1 GLN A 50 3.766 9.244 1.060 1.00 0.00 O ATOM 797 NE2 GLN A 50 2.638 10.881 2.103 1.00 0.00 N ATOM 0 H GLN A 50 1.509 9.016 0.590 1.00 0.00 H new ATOM 0 HA GLN A 50 3.222 6.994 1.067 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.730 7.828 2.592 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.881 6.674 3.236 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.075 9.220 3.848 1.00 0.00 H new ATOM 0 HG3 GLN A 50 3.518 8.264 3.577 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.055 11.156 2.894 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.896 11.570 1.396 1.00 0.00 H new ATOM 806 N VAL A 51 0.273 5.771 0.337 1.00 0.00 N ATOM 807 CA VAL A 51 -0.444 4.547 -0.001 1.00 0.00 C ATOM 808 C VAL A 51 0.122 3.910 -1.265 1.00 0.00 C ATOM 809 O VAL A 51 0.259 2.690 -1.349 1.00 0.00 O ATOM 810 CB VAL A 51 -1.947 4.816 -0.203 1.00 0.00 C ATOM 811 CG1 VAL A 51 -2.669 3.538 -0.605 1.00 0.00 C ATOM 812 CG2 VAL A 51 -2.557 5.408 1.059 1.00 0.00 C ATOM 0 H VAL A 51 -0.249 6.629 0.157 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.314 3.862 0.837 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.063 5.540 -1.009 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.730 3.747 -0.743 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.249 3.161 -1.537 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.546 2.789 0.177 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.619 5.592 0.898 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.431 4.710 1.886 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.059 6.347 1.298 1.00 0.00 H new ATOM 822 N ALA A 52 0.449 4.744 -2.246 1.00 0.00 N ATOM 823 CA ALA A 52 1.003 4.262 -3.505 1.00 0.00 C ATOM 824 C ALA A 52 2.285 3.470 -3.274 1.00 0.00 C ATOM 825 O ALA A 52 2.461 2.382 -3.821 1.00 0.00 O ATOM 826 CB ALA A 52 1.263 5.428 -4.448 1.00 0.00 C ATOM 0 H ALA A 52 0.340 5.757 -2.193 1.00 0.00 H new ATOM 0 HA ALA A 52 0.273 3.595 -3.963 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.677 5.053 -5.384 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.327 5.950 -4.648 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.972 6.117 -3.988 1.00 0.00 H new ATOM 832 N SER A 53 3.179 4.024 -2.460 1.00 0.00 N ATOM 833 CA SER A 53 4.447 3.371 -2.160 1.00 0.00 C ATOM 834 C SER A 53 4.218 2.027 -1.475 1.00 0.00 C ATOM 835 O SER A 53 4.782 1.010 -1.877 1.00 0.00 O ATOM 836 CB SER A 53 5.310 4.269 -1.271 1.00 0.00 C ATOM 837 OG SER A 53 5.926 5.296 -2.029 1.00 0.00 O ATOM 0 H SER A 53 3.048 4.923 -1.997 1.00 0.00 H new ATOM 0 HA SER A 53 4.968 3.195 -3.101 1.00 0.00 H new ATOM 0 HB2 SER A 53 4.694 4.710 -0.488 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.074 3.670 -0.776 1.00 0.00 H new ATOM 0 HG SER A 53 6.470 5.857 -1.438 1.00 0.00 H new ATOM 843 N GLN A 54 3.386 2.034 -0.438 1.00 0.00 N ATOM 844 CA GLN A 54 3.083 0.816 0.304 1.00 0.00 C ATOM 845 C GLN A 54 2.664 -0.307 -0.639 1.00 0.00 C ATOM 846 O GLN A 54 3.154 -1.432 -0.539 1.00 0.00 O ATOM 847 CB GLN A 54 1.975 1.079 1.326 1.00 0.00 C ATOM 848 CG GLN A 54 1.978 0.103 2.491 1.00 0.00 C ATOM 849 CD GLN A 54 3.274 0.137 3.278 1.00 0.00 C ATOM 850 OE1 GLN A 54 4.138 0.980 3.036 1.00 0.00 O ATOM 851 NE2 GLN A 54 3.415 -0.782 4.226 1.00 0.00 N ATOM 0 H GLN A 54 2.911 2.868 -0.093 1.00 0.00 H new ATOM 0 HA GLN A 54 3.987 0.506 0.829 1.00 0.00 H new ATOM 0 HB2 GLN A 54 2.081 2.093 1.712 1.00 0.00 H new ATOM 0 HB3 GLN A 54 1.009 1.029 0.823 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.147 0.335 3.157 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.812 -0.906 2.115 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.673 -1.461 4.392 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.266 -0.808 4.788 1.00 0.00 H new ATOM 860 N VAL A 55 1.754 0.006 -1.557 1.00 0.00 N ATOM 861 CA VAL A 55 1.270 -0.976 -2.519 1.00 0.00 C ATOM 862 C VAL A 55 2.427 -1.632 -3.264 1.00 0.00 C ATOM 863 O VAL A 55 2.421 -2.840 -3.499 1.00 0.00 O ATOM 864 CB VAL A 55 0.313 -0.335 -3.542 1.00 0.00 C ATOM 865 CG1 VAL A 55 -0.041 -1.329 -4.638 1.00 0.00 C ATOM 866 CG2 VAL A 55 -0.941 0.177 -2.850 1.00 0.00 C ATOM 0 H VAL A 55 1.338 0.932 -1.654 1.00 0.00 H new ATOM 0 HA VAL A 55 0.730 -1.734 -1.952 1.00 0.00 H new ATOM 0 HB VAL A 55 0.818 0.514 -4.004 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.718 -0.858 -5.351 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.868 -1.642 -5.152 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.527 -2.199 -4.197 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.606 0.627 -3.588 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.451 -0.653 -2.360 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.666 0.924 -2.106 1.00 0.00 H new ATOM 876 N GLN A 56 3.419 -0.827 -3.633 1.00 0.00 N ATOM 877 CA GLN A 56 4.583 -1.331 -4.352 1.00 0.00 C ATOM 878 C GLN A 56 5.202 -2.518 -3.623 1.00 0.00 C ATOM 879 O GLN A 56 5.439 -3.571 -4.216 1.00 0.00 O ATOM 880 CB GLN A 56 5.623 -0.222 -4.521 1.00 0.00 C ATOM 881 CG GLN A 56 5.105 0.987 -5.283 1.00 0.00 C ATOM 882 CD GLN A 56 4.693 0.650 -6.703 1.00 0.00 C ATOM 883 OE1 GLN A 56 3.756 -0.118 -6.923 1.00 0.00 O ATOM 884 NE2 GLN A 56 5.393 1.223 -7.675 1.00 0.00 N ATOM 0 H GLN A 56 3.440 0.176 -3.446 1.00 0.00 H new ATOM 0 HA GLN A 56 4.254 -1.665 -5.336 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.964 0.098 -3.536 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.491 -0.626 -5.043 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.252 1.408 -4.752 1.00 0.00 H new ATOM 0 HG3 GLN A 56 5.878 1.756 -5.306 1.00 0.00 H new ATOM 0 HE21 GLN A 56 6.162 1.853 -7.447 1.00 0.00 H new ATOM 0 HE22 GLN A 56 5.162 1.033 -8.650 1.00 0.00 H new ATOM 893 N LYS A 57 5.463 -2.342 -2.332 1.00 0.00 N ATOM 894 CA LYS A 57 6.054 -3.399 -1.519 1.00 0.00 C ATOM 895 C LYS A 57 4.982 -4.359 -1.012 1.00 0.00 C ATOM 896 O LYS A 57 5.184 -5.062 -0.022 1.00 0.00 O ATOM 897 CB LYS A 57 6.815 -2.796 -0.336 1.00 0.00 C ATOM 898 CG LYS A 57 8.142 -2.168 -0.723 1.00 0.00 C ATOM 899 CD LYS A 57 8.941 -1.754 0.501 1.00 0.00 C ATOM 900 CE LYS A 57 9.879 -0.597 0.190 1.00 0.00 C ATOM 901 NZ LYS A 57 10.231 0.176 1.413 1.00 0.00 N ATOM 0 H LYS A 57 5.274 -1.477 -1.826 1.00 0.00 H new ATOM 0 HA LYS A 57 6.751 -3.957 -2.144 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.190 -2.040 0.140 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.994 -3.575 0.405 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.722 -2.876 -1.315 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.963 -1.297 -1.354 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.259 -1.466 1.301 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.518 -2.604 0.864 1.00 0.00 H new ATOM 0 HE2 LYS A 57 10.789 -0.981 -0.271 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.409 0.066 -0.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.871 0.955 1.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.365 0.564 1.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.702 -0.451 2.096 1.00 0.00 H new ATOM 915 N TYR A 58 3.845 -4.384 -1.698 1.00 0.00 N ATOM 916 CA TYR A 58 2.742 -5.257 -1.316 1.00 0.00 C ATOM 917 C TYR A 58 2.381 -6.209 -2.453 1.00 0.00 C ATOM 918 O TYR A 58 2.050 -7.372 -2.223 1.00 0.00 O ATOM 919 CB TYR A 58 1.518 -4.427 -0.923 1.00 0.00 C ATOM 920 CG TYR A 58 1.471 -4.076 0.546 1.00 0.00 C ATOM 921 CD1 TYR A 58 2.612 -3.652 1.216 1.00 0.00 C ATOM 922 CD2 TYR A 58 0.286 -4.168 1.265 1.00 0.00 C ATOM 923 CE1 TYR A 58 2.574 -3.331 2.560 1.00 0.00 C ATOM 924 CE2 TYR A 58 0.238 -3.847 2.608 1.00 0.00 C ATOM 925 CZ TYR A 58 1.385 -3.429 3.251 1.00 0.00 C ATOM 926 OH TYR A 58 1.341 -3.110 4.589 1.00 0.00 O ATOM 0 H TYR A 58 3.663 -3.810 -2.521 1.00 0.00 H new ATOM 0 HA TYR A 58 3.062 -5.849 -0.458 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.510 -3.507 -1.508 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.616 -4.979 -1.185 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.545 -3.572 0.677 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.614 -4.496 0.765 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.471 -3.005 3.066 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -0.692 -3.923 3.151 1.00 0.00 H new ATOM 0 HH TYR A 58 0.428 -3.232 4.925 1.00 0.00 H new ATOM 936 N PHE A 59 2.449 -5.705 -3.681 1.00 0.00 N ATOM 937 CA PHE A 59 2.130 -6.509 -4.855 1.00 0.00 C ATOM 938 C PHE A 59 3.398 -6.891 -5.613 1.00 0.00 C ATOM 939 O PHE A 59 3.624 -8.064 -5.914 1.00 0.00 O ATOM 940 CB PHE A 59 1.180 -5.744 -5.780 1.00 0.00 C ATOM 941 CG PHE A 59 -0.152 -5.444 -5.155 1.00 0.00 C ATOM 942 CD1 PHE A 59 -0.233 -4.698 -3.989 1.00 0.00 C ATOM 943 CD2 PHE A 59 -1.323 -5.906 -5.732 1.00 0.00 C ATOM 944 CE1 PHE A 59 -1.458 -4.421 -3.412 1.00 0.00 C ATOM 945 CE2 PHE A 59 -2.551 -5.632 -5.160 1.00 0.00 C ATOM 946 CZ PHE A 59 -2.618 -4.887 -3.998 1.00 0.00 C ATOM 0 H PHE A 59 2.722 -4.744 -3.889 1.00 0.00 H new ATOM 0 HA PHE A 59 1.640 -7.422 -4.517 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.652 -4.808 -6.078 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.023 -6.326 -6.688 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.671 -4.329 -3.527 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.276 -6.488 -6.641 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.508 -3.840 -2.503 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.456 -5.999 -5.620 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.576 -4.670 -3.549 1.00 0.00 H new ATOM 956 N ILE A 60 4.220 -5.894 -5.919 1.00 0.00 N ATOM 957 CA ILE A 60 5.465 -6.125 -6.641 1.00 0.00 C ATOM 958 C ILE A 60 6.383 -7.066 -5.868 1.00 0.00 C ATOM 959 O ILE A 60 6.990 -7.970 -6.442 1.00 0.00 O ATOM 960 CB ILE A 60 6.212 -4.806 -6.913 1.00 0.00 C ATOM 961 CG1 ILE A 60 5.300 -3.819 -7.645 1.00 0.00 C ATOM 962 CG2 ILE A 60 7.475 -5.068 -7.720 1.00 0.00 C ATOM 963 CD1 ILE A 60 5.870 -2.420 -7.732 1.00 0.00 C ATOM 0 H ILE A 60 4.047 -4.918 -5.678 1.00 0.00 H new ATOM 0 HA ILE A 60 5.197 -6.584 -7.593 1.00 0.00 H new ATOM 0 HB ILE A 60 6.500 -4.366 -5.958 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.112 -4.189 -8.653 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.337 -3.779 -7.135 1.00 0.00 H new ATOM 0 HG21 ILE A 60 7.991 -4.126 -7.904 1.00 0.00 H new ATOM 0 HG22 ILE A 60 8.130 -5.738 -7.163 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.210 -5.528 -8.672 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.171 -1.775 -8.263 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.032 -2.030 -6.727 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.819 -2.446 -8.268 1.00 0.00 H new