USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 618 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 Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0011) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -148:sc= 0.128 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc=-0.00154 USER MOD Single : A 18 THR OG1 : rot 43:sc= 0.717 USER MOD Single : A 19 SER OG : rot 180:sc= -0.197 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -171:sc= -6.15! (180deg=-6.55!) USER MOD Single : A 29 SER OG : rot 35:sc= 0.0302 USER MOD Single : A 33 SER OG : rot 180:sc= -0.485 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.072 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot -172:sc= -0.543 USER MOD Single : A 54 SER OG : rot 99:sc= 0.714 USER MOD Single : A 58 THR OG1 : rot 150:sc= -0.0563 USER MOD Single : A 59 ASN : amide:sc= -0.146 K(o=-0.15,f=-4.9!) USER MOD Single : A 65 ASN : amide:sc=-0.00913 X(o=-0.0091,f=-0.059) USER MOD Single : A 68 GLN : amide:sc= -5.25! C(o=-5.3!,f=-5.9!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.167 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 HIS : no HD1:sc= -11.3! C(o=-11!,f=-11!) USER MOD Single : A 79 SER OG : rot 180:sc= -0.477 USER MOD ----------------------------------------------------------------- ATOM 92 N SER A 9 -12.506 -14.995 4.042 1.00 0.00 N ATOM 93 CA SER A 9 -11.597 -14.066 4.692 1.00 0.00 C ATOM 94 C SER A 9 -10.838 -13.254 3.640 1.00 0.00 C ATOM 95 O SER A 9 -10.096 -13.814 2.836 1.00 0.00 O ATOM 96 CB SER A 9 -10.614 -14.803 5.604 1.00 0.00 C ATOM 97 OG SER A 9 -11.073 -14.855 6.952 1.00 0.00 O ATOM 0 HA SER A 9 -12.186 -13.388 5.310 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.465 -15.817 5.232 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.645 -14.305 5.570 1.00 0.00 H new ATOM 0 HG SER A 9 -10.419 -15.335 7.502 1.00 0.00 H new ATOM 103 N LYS A 10 -11.051 -11.947 3.681 1.00 0.00 N ATOM 104 CA LYS A 10 -10.396 -11.053 2.741 1.00 0.00 C ATOM 105 C LYS A 10 -9.849 -9.839 3.496 1.00 0.00 C ATOM 106 O LYS A 10 -10.221 -9.597 4.642 1.00 0.00 O ATOM 107 CB LYS A 10 -11.346 -10.688 1.598 1.00 0.00 C ATOM 108 CG LYS A 10 -11.055 -11.532 0.355 1.00 0.00 C ATOM 109 CD LYS A 10 -11.614 -10.864 -0.904 1.00 0.00 C ATOM 110 CE LYS A 10 -11.950 -11.904 -1.974 1.00 0.00 C ATOM 111 NZ LYS A 10 -11.301 -11.556 -3.257 1.00 0.00 N ATOM 0 H LYS A 10 -11.668 -11.486 4.350 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.546 -11.549 2.273 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -12.378 -10.843 1.914 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -11.242 -9.630 1.357 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.979 -11.672 0.250 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.495 -12.522 0.472 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -12.509 -10.295 -0.651 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -10.886 -10.155 -1.297 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.619 -12.890 -1.648 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -13.030 -11.959 -2.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -11.526 -12.281 -3.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -11.650 -10.632 -3.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.271 -11.510 -3.124 1.00 0.00 H new ATOM 125 N VAL A 11 -8.972 -9.109 2.821 1.00 0.00 N ATOM 126 CA VAL A 11 -8.369 -7.928 3.413 1.00 0.00 C ATOM 127 C VAL A 11 -8.373 -6.791 2.389 1.00 0.00 C ATOM 128 O VAL A 11 -8.082 -7.008 1.214 1.00 0.00 O ATOM 129 CB VAL A 11 -6.969 -8.259 3.933 1.00 0.00 C ATOM 130 CG1 VAL A 11 -7.022 -9.381 4.972 1.00 0.00 C ATOM 131 CG2 VAL A 11 -6.028 -8.621 2.782 1.00 0.00 C ATOM 0 H VAL A 11 -8.665 -9.313 1.870 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.949 -7.594 4.273 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.573 -7.368 4.421 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.014 -9.597 5.326 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.642 -9.070 5.812 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.447 -10.277 4.519 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.040 -8.852 3.179 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -6.418 -9.490 2.252 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.955 -7.779 2.093 1.00 0.00 H new ATOM 141 N SER A 12 -8.707 -5.603 2.872 1.00 0.00 N ATOM 142 CA SER A 12 -8.752 -4.432 2.014 1.00 0.00 C ATOM 143 C SER A 12 -7.667 -3.437 2.428 1.00 0.00 C ATOM 144 O SER A 12 -7.454 -3.204 3.617 1.00 0.00 O ATOM 145 CB SER A 12 -10.129 -3.766 2.063 1.00 0.00 C ATOM 146 OG SER A 12 -10.693 -3.802 3.371 1.00 0.00 O ATOM 0 H SER A 12 -8.949 -5.427 3.847 1.00 0.00 H new ATOM 0 HA SER A 12 -8.569 -4.753 0.988 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.043 -2.731 1.734 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.799 -4.268 1.365 1.00 0.00 H new ATOM 0 HG SER A 12 -11.570 -3.366 3.361 1.00 0.00 H new ATOM 152 N PHE A 13 -7.009 -2.876 1.424 1.00 0.00 N ATOM 153 CA PHE A 13 -5.950 -1.911 1.669 1.00 0.00 C ATOM 154 C PHE A 13 -6.416 -0.491 1.340 1.00 0.00 C ATOM 155 O PHE A 13 -6.622 -0.156 0.175 1.00 0.00 O ATOM 156 CB PHE A 13 -4.786 -2.280 0.747 1.00 0.00 C ATOM 157 CG PHE A 13 -4.505 -3.782 0.671 1.00 0.00 C ATOM 158 CD1 PHE A 13 -4.006 -4.436 1.754 1.00 0.00 C ATOM 159 CD2 PHE A 13 -4.754 -4.463 -0.480 1.00 0.00 C ATOM 160 CE1 PHE A 13 -3.745 -5.830 1.683 1.00 0.00 C ATOM 161 CE2 PHE A 13 -4.492 -5.857 -0.550 1.00 0.00 C ATOM 162 CZ PHE A 13 -3.993 -6.511 0.532 1.00 0.00 C ATOM 0 H PHE A 13 -7.189 -3.071 0.439 1.00 0.00 H new ATOM 0 HA PHE A 13 -5.660 -1.935 2.719 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -4.998 -1.909 -0.256 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -3.887 -1.769 1.092 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.808 -3.895 2.668 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.151 -3.944 -1.340 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.349 -6.350 2.543 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.689 -6.398 -1.464 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.793 -7.571 0.478 1.00 0.00 H new ATOM 172 N LYS A 14 -6.567 0.305 2.388 1.00 0.00 N ATOM 173 CA LYS A 14 -7.005 1.682 2.225 1.00 0.00 C ATOM 174 C LYS A 14 -5.781 2.583 2.043 1.00 0.00 C ATOM 175 O LYS A 14 -5.169 3.008 3.022 1.00 0.00 O ATOM 176 CB LYS A 14 -7.908 2.098 3.387 1.00 0.00 C ATOM 177 CG LYS A 14 -8.784 3.292 3.001 1.00 0.00 C ATOM 178 CD LYS A 14 -10.059 3.333 3.845 1.00 0.00 C ATOM 179 CE LYS A 14 -11.278 2.921 3.018 1.00 0.00 C ATOM 180 NZ LYS A 14 -12.136 4.095 2.740 1.00 0.00 N ATOM 0 H LYS A 14 -6.394 0.024 3.353 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.614 1.785 1.327 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.539 1.259 3.680 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.297 2.355 4.253 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.224 4.217 3.137 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.045 3.230 1.945 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.954 2.667 4.701 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -10.206 4.338 4.240 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -10.953 2.470 2.080 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -11.850 2.164 3.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -13.130 3.794 2.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -12.024 4.795 3.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -11.858 4.521 1.833 1.00 0.00 H new ATOM 194 N ILE A 15 -5.462 2.846 0.785 1.00 0.00 N ATOM 195 CA ILE A 15 -4.323 3.689 0.463 1.00 0.00 C ATOM 196 C ILE A 15 -4.819 4.986 -0.180 1.00 0.00 C ATOM 197 O ILE A 15 -5.847 4.994 -0.856 1.00 0.00 O ATOM 198 CB ILE A 15 -3.315 2.923 -0.397 1.00 0.00 C ATOM 199 CG1 ILE A 15 -2.980 1.567 0.229 1.00 0.00 C ATOM 200 CG2 ILE A 15 -2.062 3.762 -0.652 1.00 0.00 C ATOM 201 CD1 ILE A 15 -2.458 0.590 -0.826 1.00 0.00 C ATOM 0 H ILE A 15 -5.972 2.491 -0.024 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.787 3.967 1.370 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.773 2.726 -1.367 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.231 1.698 1.010 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.869 1.153 0.705 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.362 3.194 -1.265 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.338 4.680 -1.172 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.591 4.011 0.299 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.228 -0.365 -0.355 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.218 0.442 -1.593 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.556 0.996 -1.283 1.00 0.00 H new ATOM 213 N THR A 16 -4.066 6.050 0.053 1.00 0.00 N ATOM 214 CA THR A 16 -4.416 7.350 -0.495 1.00 0.00 C ATOM 215 C THR A 16 -3.180 8.029 -1.088 1.00 0.00 C ATOM 216 O THR A 16 -2.169 8.189 -0.407 1.00 0.00 O ATOM 217 CB THR A 16 -5.086 8.165 0.612 1.00 0.00 C ATOM 218 OG1 THR A 16 -6.309 7.477 0.859 1.00 0.00 O ATOM 219 CG2 THR A 16 -5.527 9.550 0.135 1.00 0.00 C ATOM 0 H THR A 16 -3.214 6.039 0.614 1.00 0.00 H new ATOM 0 HA THR A 16 -5.122 7.255 -1.320 1.00 0.00 H new ATOM 0 HB THR A 16 -4.397 8.272 1.450 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.807 7.938 1.566 1.00 0.00 H new ATOM 0 HG21 THR A 16 -5.996 10.086 0.960 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.658 10.109 -0.213 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.241 9.443 -0.682 1.00 0.00 H new ATOM 227 N LEU A 17 -3.302 8.411 -2.351 1.00 0.00 N ATOM 228 CA LEU A 17 -2.208 9.069 -3.043 1.00 0.00 C ATOM 229 C LEU A 17 -1.728 10.261 -2.212 1.00 0.00 C ATOM 230 O LEU A 17 -2.529 10.932 -1.562 1.00 0.00 O ATOM 231 CB LEU A 17 -2.621 9.441 -4.469 1.00 0.00 C ATOM 232 CG LEU A 17 -1.631 10.306 -5.250 1.00 0.00 C ATOM 233 CD1 LEU A 17 -0.283 9.599 -5.399 1.00 0.00 C ATOM 234 CD2 LEU A 17 -2.213 10.720 -6.603 1.00 0.00 C ATOM 0 H LEU A 17 -4.143 8.277 -2.913 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.362 8.390 -3.148 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.789 8.521 -5.029 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.575 9.966 -4.424 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.454 11.219 -4.682 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.402 10.236 -5.958 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.133 9.397 -4.412 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.422 8.659 -5.933 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.489 11.334 -7.138 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.438 9.830 -7.190 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.128 11.291 -6.446 1.00 0.00 H new ATOM 246 N THR A 18 -0.424 10.489 -2.260 1.00 0.00 N ATOM 247 CA THR A 18 0.172 11.588 -1.520 1.00 0.00 C ATOM 248 C THR A 18 1.031 12.451 -2.446 1.00 0.00 C ATOM 249 O THR A 18 2.159 12.086 -2.772 1.00 0.00 O ATOM 250 CB THR A 18 0.953 10.997 -0.343 1.00 0.00 C ATOM 251 OG1 THR A 18 1.851 10.073 -0.952 1.00 0.00 O ATOM 252 CG2 THR A 18 0.078 10.127 0.561 1.00 0.00 C ATOM 0 H THR A 18 0.237 9.931 -2.800 1.00 0.00 H new ATOM 0 HA THR A 18 -0.591 12.256 -1.121 1.00 0.00 H new ATOM 0 HB THR A 18 1.392 11.804 0.244 1.00 0.00 H new ATOM 0 HG1 THR A 18 2.233 10.473 -1.761 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.680 9.732 1.380 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.737 10.727 0.966 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.334 9.300 -0.018 1.00 0.00 H new ATOM 260 N SER A 19 0.463 13.581 -2.843 1.00 0.00 N ATOM 261 CA SER A 19 1.162 14.499 -3.726 1.00 0.00 C ATOM 262 C SER A 19 0.172 15.492 -4.339 1.00 0.00 C ATOM 263 O SER A 19 0.403 16.699 -4.315 1.00 0.00 O ATOM 264 CB SER A 19 1.908 13.745 -4.827 1.00 0.00 C ATOM 265 OG SER A 19 1.137 12.668 -5.354 1.00 0.00 O ATOM 0 H SER A 19 -0.473 13.881 -2.569 1.00 0.00 H new ATOM 0 HA SER A 19 1.898 15.046 -3.136 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.163 14.436 -5.631 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.847 13.358 -4.430 1.00 0.00 H new ATOM 0 HG SER A 19 1.648 12.213 -6.056 1.00 0.00 H new ATOM 271 N ASP A 20 -0.910 14.945 -4.874 1.00 0.00 N ATOM 272 CA ASP A 20 -1.936 15.766 -5.492 1.00 0.00 C ATOM 273 C ASP A 20 -3.054 16.026 -4.481 1.00 0.00 C ATOM 274 O ASP A 20 -3.070 15.434 -3.403 1.00 0.00 O ATOM 275 CB ASP A 20 -2.549 15.062 -6.705 1.00 0.00 C ATOM 276 CG ASP A 20 -2.125 15.626 -8.062 1.00 0.00 C ATOM 277 OD1 ASP A 20 -2.484 16.793 -8.329 1.00 0.00 O ATOM 278 OD2 ASP A 20 -1.453 14.877 -8.803 1.00 0.00 O ATOM 0 H ASP A 20 -1.098 13.943 -4.892 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.473 16.699 -5.813 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.281 14.006 -6.667 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.635 15.118 -6.628 1.00 0.00 H new ATOM 283 N PRO A 21 -3.987 16.934 -4.875 1.00 0.00 N ATOM 284 CA PRO A 21 -5.106 17.279 -4.015 1.00 0.00 C ATOM 285 C PRO A 21 -6.151 16.161 -4.000 1.00 0.00 C ATOM 286 O PRO A 21 -5.900 15.066 -4.501 1.00 0.00 O ATOM 287 CB PRO A 21 -5.643 18.586 -4.574 1.00 0.00 C ATOM 288 CG PRO A 21 -5.106 18.685 -5.992 1.00 0.00 C ATOM 289 CD PRO A 21 -4.000 17.654 -6.145 1.00 0.00 C ATOM 0 HA PRO A 21 -4.814 17.397 -2.972 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.733 18.595 -4.568 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.314 19.433 -3.972 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.901 18.502 -6.715 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -4.723 19.687 -6.186 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.198 16.981 -6.980 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.039 18.130 -6.340 1.00 0.00 H new ATOM 297 N ARG A 22 -7.300 16.476 -3.421 1.00 0.00 N ATOM 298 CA ARG A 22 -8.383 15.512 -3.334 1.00 0.00 C ATOM 299 C ARG A 22 -7.827 14.110 -3.079 1.00 0.00 C ATOM 300 O ARG A 22 -8.065 13.192 -3.862 1.00 0.00 O ATOM 301 CB ARG A 22 -9.212 15.498 -4.620 1.00 0.00 C ATOM 302 CG ARG A 22 -9.764 16.891 -4.932 1.00 0.00 C ATOM 303 CD ARG A 22 -11.130 16.799 -5.614 1.00 0.00 C ATOM 304 NE ARG A 22 -12.106 16.152 -4.709 1.00 0.00 N ATOM 305 CZ ARG A 22 -13.390 15.932 -5.022 1.00 0.00 C ATOM 306 NH1 ARG A 22 -13.861 16.307 -6.219 1.00 0.00 N ATOM 307 NH2 ARG A 22 -14.203 15.338 -4.138 1.00 0.00 N ATOM 0 H ARG A 22 -7.505 17.386 -3.007 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.025 15.808 -2.504 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.596 15.153 -5.450 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.035 14.791 -4.518 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.852 17.466 -4.010 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.067 17.426 -5.577 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -11.478 17.796 -5.885 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -11.046 16.229 -6.539 1.00 0.00 H new ATOM 0 HE ARG A 22 -11.781 15.855 -3.789 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -13.242 16.760 -6.892 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -14.838 16.140 -6.458 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -13.844 15.053 -3.227 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -15.181 15.171 -4.376 1.00 0.00 H new ATOM 321 N LEU A 23 -7.097 13.989 -1.980 1.00 0.00 N ATOM 322 CA LEU A 23 -6.505 12.714 -1.611 1.00 0.00 C ATOM 323 C LEU A 23 -7.476 11.585 -1.964 1.00 0.00 C ATOM 324 O LEU A 23 -8.402 11.299 -1.206 1.00 0.00 O ATOM 325 CB LEU A 23 -6.082 12.725 -0.141 1.00 0.00 C ATOM 326 CG LEU A 23 -4.588 12.924 0.125 1.00 0.00 C ATOM 327 CD1 LEU A 23 -4.085 14.219 -0.514 1.00 0.00 C ATOM 328 CD2 LEU A 23 -4.287 12.870 1.624 1.00 0.00 C ATOM 0 H LEU A 23 -6.902 14.753 -1.333 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.592 12.539 -2.180 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.630 13.517 0.369 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.389 11.782 0.312 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.045 12.103 -0.343 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.021 14.336 -0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.246 14.179 -1.591 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.630 15.066 -0.097 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.219 13.014 1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.841 13.657 2.135 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.586 11.900 2.021 1.00 0.00 H new ATOM 340 N PRO A 24 -7.224 10.958 -3.144 1.00 0.00 N ATOM 341 CA PRO A 24 -8.065 9.866 -3.605 1.00 0.00 C ATOM 342 C PRO A 24 -7.778 8.584 -2.823 1.00 0.00 C ATOM 343 O PRO A 24 -6.623 8.276 -2.530 1.00 0.00 O ATOM 344 CB PRO A 24 -7.762 9.737 -5.089 1.00 0.00 C ATOM 345 CG PRO A 24 -6.434 10.442 -5.307 1.00 0.00 C ATOM 346 CD PRO A 24 -6.137 11.269 -4.066 1.00 0.00 C ATOM 0 HA PRO A 24 -9.126 10.055 -3.443 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -7.701 8.690 -5.385 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.549 10.193 -5.689 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -5.640 9.716 -5.481 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.481 11.080 -6.189 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.169 11.008 -3.639 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -6.107 12.334 -4.298 1.00 0.00 H new ATOM 354 N TYR A 25 -8.848 7.869 -2.506 1.00 0.00 N ATOM 355 CA TYR A 25 -8.725 6.627 -1.763 1.00 0.00 C ATOM 356 C TYR A 25 -9.231 5.442 -2.588 1.00 0.00 C ATOM 357 O TYR A 25 -10.083 5.607 -3.460 1.00 0.00 O ATOM 358 CB TYR A 25 -9.611 6.786 -0.525 1.00 0.00 C ATOM 359 CG TYR A 25 -11.073 6.398 -0.752 1.00 0.00 C ATOM 360 CD1 TYR A 25 -11.471 5.086 -0.599 1.00 0.00 C ATOM 361 CD2 TYR A 25 -11.995 7.361 -1.111 1.00 0.00 C ATOM 362 CE1 TYR A 25 -12.847 4.721 -0.812 1.00 0.00 C ATOM 363 CE2 TYR A 25 -13.371 6.996 -1.325 1.00 0.00 C ATOM 364 CZ TYR A 25 -13.729 5.694 -1.165 1.00 0.00 C ATOM 365 OH TYR A 25 -15.029 5.349 -1.367 1.00 0.00 O ATOM 0 H TYR A 25 -9.804 8.127 -2.750 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.683 6.434 -1.509 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.205 6.175 0.281 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.569 7.823 -0.191 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -10.750 4.332 -0.319 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -11.684 8.388 -1.231 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -13.172 3.698 -0.694 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -14.102 7.739 -1.606 1.00 0.00 H new ATOM 0 HH TYR A 25 -15.544 6.145 -1.613 1.00 0.00 H new ATOM 375 N LYS A 26 -8.685 4.274 -2.284 1.00 0.00 N ATOM 376 CA LYS A 26 -9.070 3.062 -2.987 1.00 0.00 C ATOM 377 C LYS A 26 -9.115 1.896 -1.997 1.00 0.00 C ATOM 378 O LYS A 26 -8.434 1.920 -0.973 1.00 0.00 O ATOM 379 CB LYS A 26 -8.146 2.819 -4.183 1.00 0.00 C ATOM 380 CG LYS A 26 -6.719 2.518 -3.720 1.00 0.00 C ATOM 381 CD LYS A 26 -6.378 1.040 -3.923 1.00 0.00 C ATOM 382 CE LYS A 26 -4.863 0.823 -3.923 1.00 0.00 C ATOM 383 NZ LYS A 26 -4.487 -0.200 -2.922 1.00 0.00 N ATOM 0 H LYS A 26 -7.979 4.141 -1.560 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.072 3.165 -3.404 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.523 1.986 -4.776 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.145 3.696 -4.831 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -6.014 3.137 -4.275 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.612 2.779 -2.667 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.834 0.446 -3.132 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.799 0.692 -4.866 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.534 0.509 -4.914 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.355 1.762 -3.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.452 -0.227 -2.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.914 0.039 -2.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.830 -1.132 -3.232 1.00 0.00 H new ATOM 397 N VAL A 27 -9.922 0.903 -2.339 1.00 0.00 N ATOM 398 CA VAL A 27 -10.064 -0.270 -1.493 1.00 0.00 C ATOM 399 C VAL A 27 -9.832 -1.529 -2.331 1.00 0.00 C ATOM 400 O VAL A 27 -10.732 -1.986 -3.034 1.00 0.00 O ATOM 401 CB VAL A 27 -11.429 -0.255 -0.802 1.00 0.00 C ATOM 402 CG1 VAL A 27 -11.560 -1.422 0.179 1.00 0.00 C ATOM 403 CG2 VAL A 27 -11.674 1.082 -0.100 1.00 0.00 C ATOM 0 H VAL A 27 -10.484 0.886 -3.190 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.314 -0.263 -0.702 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.194 -0.375 -1.569 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.539 -1.388 0.656 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.451 -2.364 -0.359 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.783 -1.347 0.940 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.651 1.066 0.383 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -10.901 1.246 0.651 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -11.645 1.888 -0.833 1.00 0.00 H new ATOM 413 N LEU A 28 -8.620 -2.054 -2.229 1.00 0.00 N ATOM 414 CA LEU A 28 -8.258 -3.251 -2.969 1.00 0.00 C ATOM 415 C LEU A 28 -8.546 -4.484 -2.109 1.00 0.00 C ATOM 416 O LEU A 28 -7.904 -4.692 -1.081 1.00 0.00 O ATOM 417 CB LEU A 28 -6.809 -3.165 -3.453 1.00 0.00 C ATOM 418 CG LEU A 28 -6.607 -3.173 -4.970 1.00 0.00 C ATOM 419 CD1 LEU A 28 -5.388 -2.338 -5.365 1.00 0.00 C ATOM 420 CD2 LEU A 28 -6.520 -4.604 -5.503 1.00 0.00 C ATOM 0 H LEU A 28 -7.876 -1.672 -1.645 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.866 -3.340 -3.869 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.366 -2.253 -3.052 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.255 -4.002 -3.028 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.478 -2.709 -5.434 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.267 -2.360 -6.448 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.531 -1.308 -5.037 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.496 -2.749 -4.892 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.376 -4.582 -6.583 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.679 -5.116 -5.036 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.443 -5.136 -5.270 1.00 0.00 H new ATOM 432 N SER A 29 -9.514 -5.268 -2.561 1.00 0.00 N ATOM 433 CA SER A 29 -9.895 -6.474 -1.847 1.00 0.00 C ATOM 434 C SER A 29 -9.152 -7.681 -2.423 1.00 0.00 C ATOM 435 O SER A 29 -9.104 -7.863 -3.639 1.00 0.00 O ATOM 436 CB SER A 29 -11.407 -6.700 -1.914 1.00 0.00 C ATOM 437 OG SER A 29 -11.881 -6.743 -3.257 1.00 0.00 O ATOM 0 H SER A 29 -10.046 -5.091 -3.413 1.00 0.00 H new ATOM 0 HA SER A 29 -9.619 -6.352 -0.800 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.657 -7.634 -1.411 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.917 -5.902 -1.375 1.00 0.00 H new ATOM 0 HG SER A 29 -11.205 -7.163 -3.829 1.00 0.00 H new ATOM 443 N VAL A 30 -8.591 -8.475 -1.523 1.00 0.00 N ATOM 444 CA VAL A 30 -7.852 -9.660 -1.927 1.00 0.00 C ATOM 445 C VAL A 30 -7.829 -10.660 -0.769 1.00 0.00 C ATOM 446 O VAL A 30 -8.003 -10.280 0.388 1.00 0.00 O ATOM 447 CB VAL A 30 -6.454 -9.266 -2.406 1.00 0.00 C ATOM 448 CG1 VAL A 30 -6.531 -8.351 -3.630 1.00 0.00 C ATOM 449 CG2 VAL A 30 -5.653 -8.610 -1.280 1.00 0.00 C ATOM 0 H VAL A 30 -8.633 -8.321 -0.516 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.343 -10.149 -2.769 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.932 -10.176 -2.701 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.523 -8.086 -3.950 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.044 -8.869 -4.440 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.080 -7.445 -3.373 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.663 -8.340 -1.647 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.171 -7.713 -0.940 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.553 -9.309 -0.449 1.00 0.00 H new ATOM 459 N PRO A 31 -7.606 -11.952 -1.131 1.00 0.00 N ATOM 460 CA PRO A 31 -7.557 -13.009 -0.135 1.00 0.00 C ATOM 461 C PRO A 31 -6.243 -12.965 0.648 1.00 0.00 C ATOM 462 O PRO A 31 -5.164 -13.048 0.062 1.00 0.00 O ATOM 463 CB PRO A 31 -7.737 -14.298 -0.921 1.00 0.00 C ATOM 464 CG PRO A 31 -7.415 -13.953 -2.366 1.00 0.00 C ATOM 465 CD PRO A 31 -7.395 -12.438 -2.491 1.00 0.00 C ATOM 0 HA PRO A 31 -8.333 -12.908 0.624 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -7.074 -15.078 -0.549 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.756 -14.674 -0.827 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -6.451 -14.372 -2.653 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -8.161 -14.381 -3.036 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.445 -12.086 -2.894 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.177 -12.086 -3.163 1.00 0.00 H new ATOM 473 N GLU A 32 -6.377 -12.834 1.959 1.00 0.00 N ATOM 474 CA GLU A 32 -5.214 -12.778 2.828 1.00 0.00 C ATOM 475 C GLU A 32 -4.136 -13.746 2.336 1.00 0.00 C ATOM 476 O GLU A 32 -2.963 -13.385 2.254 1.00 0.00 O ATOM 477 CB GLU A 32 -5.598 -13.077 4.279 1.00 0.00 C ATOM 478 CG GLU A 32 -6.487 -14.319 4.365 1.00 0.00 C ATOM 479 CD GLU A 32 -6.923 -14.583 5.808 1.00 0.00 C ATOM 480 OE1 GLU A 32 -7.498 -13.648 6.406 1.00 0.00 O ATOM 481 OE2 GLU A 32 -6.670 -15.712 6.280 1.00 0.00 O ATOM 0 H GLU A 32 -7.273 -12.765 2.441 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.809 -11.767 2.795 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.697 -13.228 4.874 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.121 -12.221 4.705 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.366 -14.186 3.734 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.947 -15.184 3.980 1.00 0.00 H new ATOM 488 N SER A 33 -4.572 -14.956 2.020 1.00 0.00 N ATOM 489 CA SER A 33 -3.659 -15.979 1.537 1.00 0.00 C ATOM 490 C SER A 33 -2.645 -15.362 0.572 1.00 0.00 C ATOM 491 O SER A 33 -1.472 -15.730 0.579 1.00 0.00 O ATOM 492 CB SER A 33 -4.419 -17.117 0.854 1.00 0.00 C ATOM 493 OG SER A 33 -5.399 -16.632 -0.059 1.00 0.00 O ATOM 0 H SER A 33 -5.546 -15.252 2.089 1.00 0.00 H new ATOM 0 HA SER A 33 -3.128 -16.396 2.393 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.714 -17.756 0.323 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.903 -17.735 1.610 1.00 0.00 H new ATOM 0 HG SER A 33 -5.861 -17.389 -0.476 1.00 0.00 H new ATOM 499 N THR A 34 -3.136 -14.433 -0.237 1.00 0.00 N ATOM 500 CA THR A 34 -2.287 -13.761 -1.206 1.00 0.00 C ATOM 501 C THR A 34 -1.310 -12.820 -0.499 1.00 0.00 C ATOM 502 O THR A 34 -1.647 -12.223 0.522 1.00 0.00 O ATOM 503 CB THR A 34 -3.192 -13.051 -2.215 1.00 0.00 C ATOM 504 OG1 THR A 34 -3.641 -14.096 -3.074 1.00 0.00 O ATOM 505 CG2 THR A 34 -2.415 -12.115 -3.142 1.00 0.00 C ATOM 0 H THR A 34 -4.110 -14.131 -0.241 1.00 0.00 H new ATOM 0 HA THR A 34 -1.666 -14.474 -1.749 1.00 0.00 H new ATOM 0 HB THR A 34 -3.954 -12.483 -1.681 1.00 0.00 H new ATOM 0 HG1 THR A 34 -4.236 -13.724 -3.758 1.00 0.00 H new ATOM 0 HG21 THR A 34 -3.105 -11.637 -3.838 1.00 0.00 H new ATOM 0 HG22 THR A 34 -1.911 -11.352 -2.549 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.675 -12.688 -3.701 1.00 0.00 H new ATOM 513 N PRO A 35 -0.088 -12.714 -1.085 1.00 0.00 N ATOM 514 CA PRO A 35 0.940 -11.856 -0.522 1.00 0.00 C ATOM 515 C PRO A 35 0.639 -10.382 -0.804 1.00 0.00 C ATOM 516 O PRO A 35 -0.135 -10.064 -1.705 1.00 0.00 O ATOM 517 CB PRO A 35 2.238 -12.328 -1.157 1.00 0.00 C ATOM 518 CG PRO A 35 1.835 -13.117 -2.392 1.00 0.00 C ATOM 519 CD PRO A 35 0.346 -13.406 -2.295 1.00 0.00 C ATOM 0 HA PRO A 35 0.995 -11.924 0.564 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.872 -11.483 -1.423 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.808 -12.949 -0.466 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.056 -12.550 -3.296 1.00 0.00 H new ATOM 0 HG3 PRO A 35 2.401 -14.046 -2.453 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.186 -13.040 -3.173 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.154 -14.477 -2.229 1.00 0.00 H new ATOM 527 N PHE A 36 1.267 -9.522 -0.015 1.00 0.00 N ATOM 528 CA PHE A 36 1.075 -8.090 -0.168 1.00 0.00 C ATOM 529 C PHE A 36 2.057 -7.512 -1.189 1.00 0.00 C ATOM 530 O PHE A 36 1.922 -6.361 -1.604 1.00 0.00 O ATOM 531 CB PHE A 36 1.345 -7.454 1.197 1.00 0.00 C ATOM 532 CG PHE A 36 0.553 -6.171 1.454 1.00 0.00 C ATOM 533 CD1 PHE A 36 0.892 -5.022 0.810 1.00 0.00 C ATOM 534 CD2 PHE A 36 -0.491 -6.179 2.325 1.00 0.00 C ATOM 535 CE1 PHE A 36 0.157 -3.831 1.048 1.00 0.00 C ATOM 536 CE2 PHE A 36 -1.227 -4.988 2.563 1.00 0.00 C ATOM 537 CZ PHE A 36 -0.887 -3.839 1.920 1.00 0.00 C ATOM 0 H PHE A 36 1.909 -9.789 0.731 1.00 0.00 H new ATOM 0 HA PHE A 36 0.064 -7.886 -0.519 1.00 0.00 H new ATOM 0 HB2 PHE A 36 1.107 -8.178 1.977 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.409 -7.234 1.280 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.721 -5.016 0.117 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.761 -7.091 2.836 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.427 -2.919 0.537 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.057 -4.995 3.255 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.446 -2.933 2.102 1.00 0.00 H new ATOM 547 N THR A 37 3.023 -8.336 -1.566 1.00 0.00 N ATOM 548 CA THR A 37 4.027 -7.921 -2.531 1.00 0.00 C ATOM 549 C THR A 37 3.372 -7.593 -3.874 1.00 0.00 C ATOM 550 O THR A 37 3.814 -6.688 -4.580 1.00 0.00 O ATOM 551 CB THR A 37 5.081 -9.027 -2.622 1.00 0.00 C ATOM 552 OG1 THR A 37 6.316 -8.322 -2.712 1.00 0.00 O ATOM 553 CG2 THR A 37 5.000 -9.806 -3.937 1.00 0.00 C ATOM 0 H THR A 37 3.132 -9.290 -1.221 1.00 0.00 H new ATOM 0 HA THR A 37 4.524 -7.004 -2.215 1.00 0.00 H new ATOM 0 HB THR A 37 4.960 -9.714 -1.785 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.055 -8.963 -2.773 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.769 -10.578 -3.950 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.018 -10.270 -4.025 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.155 -9.125 -4.774 1.00 0.00 H new ATOM 561 N ALA A 38 2.329 -8.348 -4.188 1.00 0.00 N ATOM 562 CA ALA A 38 1.609 -8.149 -5.434 1.00 0.00 C ATOM 563 C ALA A 38 0.836 -6.831 -5.366 1.00 0.00 C ATOM 564 O ALA A 38 1.146 -5.888 -6.092 1.00 0.00 O ATOM 565 CB ALA A 38 0.695 -9.349 -5.693 1.00 0.00 C ATOM 0 H ALA A 38 1.966 -9.099 -3.601 1.00 0.00 H new ATOM 0 HA ALA A 38 2.303 -8.081 -6.272 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.155 -9.200 -6.628 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.296 -10.256 -5.762 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.017 -9.447 -4.874 1.00 0.00 H new ATOM 571 N VAL A 39 -0.156 -6.808 -4.488 1.00 0.00 N ATOM 572 CA VAL A 39 -0.976 -5.621 -4.316 1.00 0.00 C ATOM 573 C VAL A 39 -0.103 -4.375 -4.482 1.00 0.00 C ATOM 574 O VAL A 39 -0.510 -3.410 -5.127 1.00 0.00 O ATOM 575 CB VAL A 39 -1.694 -5.672 -2.966 1.00 0.00 C ATOM 576 CG1 VAL A 39 -0.727 -6.056 -1.844 1.00 0.00 C ATOM 577 CG2 VAL A 39 -2.385 -4.341 -2.662 1.00 0.00 C ATOM 0 H VAL A 39 -0.410 -7.593 -3.888 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.752 -5.579 -5.080 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.462 -6.443 -3.025 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.263 -6.085 -0.895 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.302 -7.038 -2.050 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.074 -5.319 -1.786 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.888 -4.404 -1.697 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.642 -3.544 -2.633 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.118 -4.126 -3.440 1.00 0.00 H new ATOM 587 N LEU A 40 1.080 -4.437 -3.889 1.00 0.00 N ATOM 588 CA LEU A 40 2.013 -3.326 -3.963 1.00 0.00 C ATOM 589 C LEU A 40 1.989 -2.738 -5.376 1.00 0.00 C ATOM 590 O LEU A 40 1.787 -1.537 -5.549 1.00 0.00 O ATOM 591 CB LEU A 40 3.405 -3.763 -3.503 1.00 0.00 C ATOM 592 CG LEU A 40 4.445 -2.650 -3.360 1.00 0.00 C ATOM 593 CD1 LEU A 40 4.680 -1.945 -4.697 1.00 0.00 C ATOM 594 CD2 LEU A 40 4.050 -1.669 -2.255 1.00 0.00 C ATOM 0 H LEU A 40 1.414 -5.239 -3.355 1.00 0.00 H new ATOM 0 HA LEU A 40 1.712 -2.531 -3.281 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.307 -4.267 -2.541 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.785 -4.499 -4.211 1.00 0.00 H new ATOM 0 HG LEU A 40 5.392 -3.102 -3.064 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.423 -1.158 -4.568 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.039 -2.667 -5.431 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.745 -1.507 -5.047 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.806 -0.888 -2.174 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.087 -1.218 -2.496 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.975 -2.201 -1.306 1.00 0.00 H new ATOM 606 N LYS A 41 2.198 -3.613 -6.349 1.00 0.00 N ATOM 607 CA LYS A 41 2.202 -3.196 -7.741 1.00 0.00 C ATOM 608 C LYS A 41 0.780 -2.818 -8.161 1.00 0.00 C ATOM 609 O LYS A 41 0.534 -1.692 -8.591 1.00 0.00 O ATOM 610 CB LYS A 41 2.837 -4.274 -8.621 1.00 0.00 C ATOM 611 CG LYS A 41 4.346 -4.357 -8.384 1.00 0.00 C ATOM 612 CD LYS A 41 4.858 -5.783 -8.602 1.00 0.00 C ATOM 613 CE LYS A 41 6.024 -5.801 -9.593 1.00 0.00 C ATOM 614 NZ LYS A 41 6.015 -7.055 -10.380 1.00 0.00 N ATOM 0 H LYS A 41 2.366 -4.608 -6.201 1.00 0.00 H new ATOM 0 HA LYS A 41 2.819 -2.307 -7.870 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.378 -5.239 -8.408 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.642 -4.053 -9.670 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.862 -3.674 -9.059 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.576 -4.035 -7.368 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.178 -6.208 -7.651 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.049 -6.411 -8.975 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.953 -4.944 -10.263 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.968 -5.709 -9.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.812 -7.052 -11.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.104 -7.868 -9.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.122 -7.127 -10.908 1.00 0.00 H new ATOM 628 N PHE A 42 -0.119 -3.781 -8.021 1.00 0.00 N ATOM 629 CA PHE A 42 -1.510 -3.564 -8.380 1.00 0.00 C ATOM 630 C PHE A 42 -1.983 -2.180 -7.931 1.00 0.00 C ATOM 631 O PHE A 42 -2.499 -1.405 -8.735 1.00 0.00 O ATOM 632 CB PHE A 42 -2.332 -4.631 -7.654 1.00 0.00 C ATOM 633 CG PHE A 42 -3.714 -4.874 -8.263 1.00 0.00 C ATOM 634 CD1 PHE A 42 -4.575 -3.835 -8.431 1.00 0.00 C ATOM 635 CD2 PHE A 42 -4.081 -6.129 -8.637 1.00 0.00 C ATOM 636 CE1 PHE A 42 -5.858 -4.061 -8.997 1.00 0.00 C ATOM 637 CE2 PHE A 42 -5.363 -6.355 -9.202 1.00 0.00 C ATOM 638 CZ PHE A 42 -6.225 -5.316 -9.371 1.00 0.00 C ATOM 0 H PHE A 42 0.089 -4.714 -7.664 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.628 -3.626 -9.462 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.775 -5.568 -7.657 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -2.453 -4.335 -6.612 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -4.283 -2.838 -8.134 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.397 -6.954 -8.504 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -6.542 -3.236 -9.130 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.654 -7.352 -9.498 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.200 -5.488 -9.802 1.00 0.00 H new ATOM 648 N ALA A 43 -1.789 -1.911 -6.648 1.00 0.00 N ATOM 649 CA ALA A 43 -2.189 -0.634 -6.082 1.00 0.00 C ATOM 650 C ALA A 43 -1.863 0.483 -7.075 1.00 0.00 C ATOM 651 O ALA A 43 -2.732 1.282 -7.424 1.00 0.00 O ATOM 652 CB ALA A 43 -1.497 -0.434 -4.732 1.00 0.00 C ATOM 0 H ALA A 43 -1.360 -2.556 -5.984 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.264 -0.613 -5.903 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.797 0.524 -4.308 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.784 -1.237 -4.053 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.416 -0.446 -4.872 1.00 0.00 H new ATOM 658 N ALA A 44 -0.610 0.504 -7.503 1.00 0.00 N ATOM 659 CA ALA A 44 -0.158 1.510 -8.449 1.00 0.00 C ATOM 660 C ALA A 44 -1.189 1.648 -9.572 1.00 0.00 C ATOM 661 O ALA A 44 -1.628 2.753 -9.885 1.00 0.00 O ATOM 662 CB ALA A 44 1.228 1.132 -8.974 1.00 0.00 C ATOM 0 H ALA A 44 0.107 -0.160 -7.212 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.068 2.481 -7.962 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.567 1.887 -9.684 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.929 1.076 -8.142 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.177 0.163 -9.471 1.00 0.00 H new ATOM 668 N GLU A 45 -1.546 0.508 -10.147 1.00 0.00 N ATOM 669 CA GLU A 45 -2.517 0.488 -11.228 1.00 0.00 C ATOM 670 C GLU A 45 -3.843 1.090 -10.761 1.00 0.00 C ATOM 671 O GLU A 45 -4.559 1.709 -11.547 1.00 0.00 O ATOM 672 CB GLU A 45 -2.716 -0.933 -11.758 1.00 0.00 C ATOM 673 CG GLU A 45 -2.389 -1.012 -13.251 1.00 0.00 C ATOM 674 CD GLU A 45 -3.342 -1.969 -13.971 1.00 0.00 C ATOM 675 OE1 GLU A 45 -4.564 -1.723 -13.886 1.00 0.00 O ATOM 676 OE2 GLU A 45 -2.826 -2.924 -14.590 1.00 0.00 O ATOM 0 H GLU A 45 -1.180 -0.407 -9.885 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.133 1.096 -12.047 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.079 -1.624 -11.205 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.746 -1.246 -11.591 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.460 -0.019 -13.696 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.361 -1.348 -13.385 1.00 0.00 H new ATOM 683 N GLU A 46 -4.132 0.887 -9.484 1.00 0.00 N ATOM 684 CA GLU A 46 -5.360 1.402 -8.903 1.00 0.00 C ATOM 685 C GLU A 46 -5.330 2.931 -8.868 1.00 0.00 C ATOM 686 O GLU A 46 -6.373 3.574 -8.752 1.00 0.00 O ATOM 687 CB GLU A 46 -5.589 0.826 -7.504 1.00 0.00 C ATOM 688 CG GLU A 46 -6.795 -0.115 -7.489 1.00 0.00 C ATOM 689 CD GLU A 46 -8.106 0.674 -7.458 1.00 0.00 C ATOM 690 OE1 GLU A 46 -8.338 1.428 -8.427 1.00 0.00 O ATOM 691 OE2 GLU A 46 -8.846 0.505 -6.465 1.00 0.00 O ATOM 0 H GLU A 46 -3.536 0.373 -8.835 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.195 1.088 -9.530 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.699 0.287 -7.178 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.748 1.638 -6.794 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.772 -0.755 -8.371 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.739 -0.769 -6.619 1.00 0.00 H new ATOM 698 N PHE A 47 -4.124 3.470 -8.971 1.00 0.00 N ATOM 699 CA PHE A 47 -3.945 4.912 -8.952 1.00 0.00 C ATOM 700 C PHE A 47 -3.455 5.421 -10.310 1.00 0.00 C ATOM 701 O PHE A 47 -3.256 6.621 -10.492 1.00 0.00 O ATOM 702 CB PHE A 47 -2.883 5.217 -7.894 1.00 0.00 C ATOM 703 CG PHE A 47 -3.451 5.448 -6.492 1.00 0.00 C ATOM 704 CD1 PHE A 47 -4.093 6.611 -6.201 1.00 0.00 C ATOM 705 CD2 PHE A 47 -3.314 4.490 -5.536 1.00 0.00 C ATOM 706 CE1 PHE A 47 -4.620 6.825 -4.900 1.00 0.00 C ATOM 707 CE2 PHE A 47 -3.841 4.704 -4.235 1.00 0.00 C ATOM 708 CZ PHE A 47 -4.483 5.867 -3.944 1.00 0.00 C ATOM 0 H PHE A 47 -3.261 2.934 -9.068 1.00 0.00 H new ATOM 0 HA PHE A 47 -4.893 5.402 -8.730 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.174 4.390 -7.856 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -2.324 6.102 -8.199 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.202 7.372 -6.960 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.804 3.566 -5.767 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -5.130 7.749 -4.669 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -3.732 3.943 -3.476 1.00 0.00 H new ATOM 0 HZ PHE A 47 -4.884 6.030 -2.954 1.00 0.00 H new ATOM 718 N LYS A 48 -3.275 4.483 -11.227 1.00 0.00 N ATOM 719 CA LYS A 48 -2.812 4.821 -12.563 1.00 0.00 C ATOM 720 C LYS A 48 -1.385 5.365 -12.480 1.00 0.00 C ATOM 721 O LYS A 48 -1.086 6.422 -13.036 1.00 0.00 O ATOM 722 CB LYS A 48 -3.795 5.774 -13.245 1.00 0.00 C ATOM 723 CG LYS A 48 -4.689 5.023 -14.234 1.00 0.00 C ATOM 724 CD LYS A 48 -6.128 5.541 -14.174 1.00 0.00 C ATOM 725 CE LYS A 48 -6.681 5.787 -15.580 1.00 0.00 C ATOM 726 NZ LYS A 48 -8.151 5.953 -15.537 1.00 0.00 N ATOM 0 H LYS A 48 -3.441 3.489 -11.072 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.778 3.931 -13.192 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.412 6.266 -12.493 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.245 6.557 -13.768 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.298 5.140 -15.245 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.673 3.957 -14.008 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.757 4.819 -13.653 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.162 6.466 -13.599 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.221 6.678 -16.007 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.422 4.951 -16.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.510 6.119 -16.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.586 5.092 -15.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.391 6.765 -14.933 1.00 0.00 H new ATOM 740 N VAL A 49 -0.540 4.620 -11.783 1.00 0.00 N ATOM 741 CA VAL A 49 0.849 5.015 -11.621 1.00 0.00 C ATOM 742 C VAL A 49 1.756 3.844 -12.005 1.00 0.00 C ATOM 743 O VAL A 49 1.311 2.698 -12.049 1.00 0.00 O ATOM 744 CB VAL A 49 1.088 5.513 -10.194 1.00 0.00 C ATOM 745 CG1 VAL A 49 0.696 6.985 -10.055 1.00 0.00 C ATOM 746 CG2 VAL A 49 0.340 4.648 -9.179 1.00 0.00 C ATOM 0 H VAL A 49 -0.791 3.744 -11.324 1.00 0.00 H new ATOM 0 HA VAL A 49 1.090 5.845 -12.286 1.00 0.00 H new ATOM 0 HB VAL A 49 2.154 5.429 -9.984 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.876 7.314 -9.032 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.293 7.587 -10.740 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.361 7.104 -10.294 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.527 5.024 -8.173 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.729 4.685 -9.387 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.688 3.618 -9.252 1.00 0.00 H new ATOM 756 N PRO A 50 3.044 4.180 -12.280 1.00 0.00 N ATOM 757 CA PRO A 50 4.017 3.170 -12.659 1.00 0.00 C ATOM 758 C PRO A 50 4.455 2.348 -11.445 1.00 0.00 C ATOM 759 O PRO A 50 4.598 2.884 -10.347 1.00 0.00 O ATOM 760 CB PRO A 50 5.160 3.944 -13.296 1.00 0.00 C ATOM 761 CG PRO A 50 4.998 5.383 -12.834 1.00 0.00 C ATOM 762 CD PRO A 50 3.607 5.527 -12.238 1.00 0.00 C ATOM 0 HA PRO A 50 3.612 2.437 -13.357 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.124 3.541 -12.987 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.120 3.876 -14.383 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.758 5.634 -12.094 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.128 6.070 -13.671 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.651 5.906 -11.217 1.00 0.00 H new ATOM 0 HD3 PRO A 50 3.001 6.228 -12.812 1.00 0.00 H new ATOM 770 N ALA A 51 4.656 1.061 -11.684 1.00 0.00 N ATOM 771 CA ALA A 51 5.075 0.159 -10.624 1.00 0.00 C ATOM 772 C ALA A 51 6.591 0.261 -10.443 1.00 0.00 C ATOM 773 O ALA A 51 7.295 -0.746 -10.494 1.00 0.00 O ATOM 774 CB ALA A 51 4.622 -1.264 -10.955 1.00 0.00 C ATOM 0 H ALA A 51 4.537 0.621 -12.596 1.00 0.00 H new ATOM 0 HA ALA A 51 4.610 0.437 -9.678 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.936 -1.940 -10.160 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.536 -1.289 -11.044 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.070 -1.579 -11.897 1.00 0.00 H new ATOM 780 N ALA A 52 7.048 1.487 -10.235 1.00 0.00 N ATOM 781 CA ALA A 52 8.468 1.734 -10.046 1.00 0.00 C ATOM 782 C ALA A 52 8.654 2.884 -9.054 1.00 0.00 C ATOM 783 O ALA A 52 9.380 2.749 -8.071 1.00 0.00 O ATOM 784 CB ALA A 52 9.121 2.020 -11.399 1.00 0.00 C ATOM 0 H ALA A 52 6.461 2.320 -10.193 1.00 0.00 H new ATOM 0 HA ALA A 52 8.958 0.855 -9.627 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.186 2.205 -11.257 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.986 1.161 -12.057 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.657 2.898 -11.849 1.00 0.00 H new ATOM 790 N THR A 53 7.984 3.989 -9.347 1.00 0.00 N ATOM 791 CA THR A 53 8.066 5.162 -8.493 1.00 0.00 C ATOM 792 C THR A 53 6.959 5.132 -7.437 1.00 0.00 C ATOM 793 O THR A 53 6.355 6.160 -7.137 1.00 0.00 O ATOM 794 CB THR A 53 8.019 6.402 -9.388 1.00 0.00 C ATOM 795 OG1 THR A 53 6.811 6.251 -10.128 1.00 0.00 O ATOM 796 CG2 THR A 53 9.114 6.395 -10.457 1.00 0.00 C ATOM 0 H THR A 53 7.382 4.097 -10.163 1.00 0.00 H new ATOM 0 HA THR A 53 9.002 5.181 -7.936 1.00 0.00 H new ATOM 0 HB THR A 53 8.118 7.297 -8.773 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.763 6.943 -10.821 1.00 0.00 H new ATOM 0 HG21 THR A 53 9.035 7.297 -11.064 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.092 6.365 -9.976 1.00 0.00 H new ATOM 0 HG23 THR A 53 8.996 5.518 -11.093 1.00 0.00 H new ATOM 804 N SER A 54 6.727 3.942 -6.904 1.00 0.00 N ATOM 805 CA SER A 54 5.703 3.764 -5.888 1.00 0.00 C ATOM 806 C SER A 54 6.217 2.839 -4.783 1.00 0.00 C ATOM 807 O SER A 54 6.996 1.925 -5.047 1.00 0.00 O ATOM 808 CB SER A 54 4.416 3.202 -6.495 1.00 0.00 C ATOM 809 OG SER A 54 4.078 3.846 -7.720 1.00 0.00 O ATOM 0 H SER A 54 7.230 3.091 -7.156 1.00 0.00 H new ATOM 0 HA SER A 54 5.474 4.740 -5.459 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.534 2.132 -6.668 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.598 3.322 -5.785 1.00 0.00 H new ATOM 0 HG SER A 54 4.376 3.294 -8.473 1.00 0.00 H new ATOM 815 N ALA A 55 5.759 3.108 -3.569 1.00 0.00 N ATOM 816 CA ALA A 55 6.163 2.311 -2.423 1.00 0.00 C ATOM 817 C ALA A 55 5.147 2.498 -1.295 1.00 0.00 C ATOM 818 O ALA A 55 4.726 3.619 -1.012 1.00 0.00 O ATOM 819 CB ALA A 55 7.581 2.704 -2.003 1.00 0.00 C ATOM 0 H ALA A 55 5.112 3.867 -3.354 1.00 0.00 H new ATOM 0 HA ALA A 55 6.181 1.251 -2.678 1.00 0.00 H new ATOM 0 HB1 ALA A 55 7.885 2.107 -1.143 1.00 0.00 H new ATOM 0 HB2 ALA A 55 8.268 2.525 -2.830 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.602 3.761 -1.736 1.00 0.00 H new ATOM 825 N ILE A 56 4.783 1.383 -0.679 1.00 0.00 N ATOM 826 CA ILE A 56 3.825 1.409 0.413 1.00 0.00 C ATOM 827 C ILE A 56 4.566 1.244 1.741 1.00 0.00 C ATOM 828 O ILE A 56 5.438 0.386 1.867 1.00 0.00 O ATOM 829 CB ILE A 56 2.727 0.367 0.188 1.00 0.00 C ATOM 830 CG1 ILE A 56 1.924 0.681 -1.076 1.00 0.00 C ATOM 831 CG2 ILE A 56 1.831 0.240 1.421 1.00 0.00 C ATOM 832 CD1 ILE A 56 1.241 -0.577 -1.618 1.00 0.00 C ATOM 0 H ILE A 56 5.135 0.455 -0.916 1.00 0.00 H new ATOM 0 HA ILE A 56 3.316 2.372 0.449 1.00 0.00 H new ATOM 0 HB ILE A 56 3.202 -0.602 0.035 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.174 1.440 -0.855 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.584 1.097 -1.837 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.059 -0.507 1.235 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.432 -0.065 2.278 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.362 1.201 1.631 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.677 -0.326 -2.516 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.996 -1.325 -1.860 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.563 -0.977 -0.864 1.00 0.00 H new ATOM 844 N ILE A 57 4.193 2.081 2.698 1.00 0.00 N ATOM 845 CA ILE A 57 4.812 2.038 4.012 1.00 0.00 C ATOM 846 C ILE A 57 3.729 2.166 5.085 1.00 0.00 C ATOM 847 O ILE A 57 2.552 2.335 4.768 1.00 0.00 O ATOM 848 CB ILE A 57 5.912 3.096 4.120 1.00 0.00 C ATOM 849 CG1 ILE A 57 5.372 4.486 3.781 1.00 0.00 C ATOM 850 CG2 ILE A 57 7.118 2.723 3.255 1.00 0.00 C ATOM 851 CD1 ILE A 57 6.074 5.564 4.610 1.00 0.00 C ATOM 0 H ILE A 57 3.470 2.793 2.590 1.00 0.00 H new ATOM 0 HA ILE A 57 5.306 1.079 4.170 1.00 0.00 H new ATOM 0 HB ILE A 57 6.255 3.128 5.154 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.516 4.687 2.719 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.299 4.519 3.969 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.885 3.491 3.350 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.521 1.765 3.585 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.808 2.646 2.213 1.00 0.00 H new ATOM 0 HD11 ILE A 57 5.671 6.543 4.350 1.00 0.00 H new ATOM 0 HD12 ILE A 57 5.908 5.374 5.670 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.144 5.544 4.401 1.00 0.00 H new ATOM 863 N THR A 58 4.165 2.081 6.334 1.00 0.00 N ATOM 864 CA THR A 58 3.247 2.185 7.455 1.00 0.00 C ATOM 865 C THR A 58 3.251 3.608 8.017 1.00 0.00 C ATOM 866 O THR A 58 3.948 4.480 7.503 1.00 0.00 O ATOM 867 CB THR A 58 3.639 1.124 8.486 1.00 0.00 C ATOM 868 OG1 THR A 58 4.962 1.485 8.872 1.00 0.00 O ATOM 869 CG2 THR A 58 3.798 -0.265 7.864 1.00 0.00 C ATOM 0 H THR A 58 5.141 1.941 6.594 1.00 0.00 H new ATOM 0 HA THR A 58 2.220 1.994 7.144 1.00 0.00 H new ATOM 0 HB THR A 58 2.885 1.086 9.272 1.00 0.00 H new ATOM 0 HG1 THR A 58 5.118 1.211 9.800 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.076 -0.980 8.638 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.855 -0.570 7.410 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.576 -0.235 7.101 1.00 0.00 H new ATOM 877 N ASN A 59 2.464 3.798 9.066 1.00 0.00 N ATOM 878 CA ASN A 59 2.368 5.100 9.704 1.00 0.00 C ATOM 879 C ASN A 59 3.565 5.297 10.635 1.00 0.00 C ATOM 880 O ASN A 59 3.498 4.965 11.817 1.00 0.00 O ATOM 881 CB ASN A 59 1.093 5.209 10.543 1.00 0.00 C ATOM 882 CG ASN A 59 0.046 6.075 9.840 1.00 0.00 C ATOM 883 OD1 ASN A 59 -0.206 7.211 10.207 1.00 0.00 O ATOM 884 ND2 ASN A 59 -0.547 5.478 8.810 1.00 0.00 N ATOM 0 H ASN A 59 1.887 3.072 9.490 1.00 0.00 H new ATOM 0 HA ASN A 59 2.351 5.859 8.921 1.00 0.00 H new ATOM 0 HB2 ASN A 59 0.686 4.214 10.723 1.00 0.00 H new ATOM 0 HB3 ASN A 59 1.330 5.637 11.517 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.260 5.974 8.275 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.289 4.525 8.556 1.00 0.00 H new ATOM 891 N ASP A 60 4.634 5.836 10.066 1.00 0.00 N ATOM 892 CA ASP A 60 5.845 6.081 10.831 1.00 0.00 C ATOM 893 C ASP A 60 7.033 6.197 9.874 1.00 0.00 C ATOM 894 O ASP A 60 8.005 6.891 10.167 1.00 0.00 O ATOM 895 CB ASP A 60 6.128 4.930 11.798 1.00 0.00 C ATOM 896 CG ASP A 60 5.757 5.204 13.257 1.00 0.00 C ATOM 897 OD1 ASP A 60 5.136 6.263 13.495 1.00 0.00 O ATOM 898 OD2 ASP A 60 6.102 4.350 14.101 1.00 0.00 O ATOM 0 H ASP A 60 4.686 6.110 9.085 1.00 0.00 H new ATOM 0 HA ASP A 60 5.705 7.002 11.397 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.583 4.049 11.460 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.189 4.687 11.748 1.00 0.00 H new ATOM 903 N GLY A 61 6.915 5.508 8.749 1.00 0.00 N ATOM 904 CA GLY A 61 7.966 5.525 7.746 1.00 0.00 C ATOM 905 C GLY A 61 8.419 4.104 7.402 1.00 0.00 C ATOM 906 O GLY A 61 8.837 3.838 6.276 1.00 0.00 O ATOM 0 H GLY A 61 6.107 4.934 8.510 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.607 6.024 6.846 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.815 6.102 8.113 1.00 0.00 H new ATOM 910 N ILE A 62 8.319 3.229 8.392 1.00 0.00 N ATOM 911 CA ILE A 62 8.713 1.843 8.208 1.00 0.00 C ATOM 912 C ILE A 62 8.096 1.310 6.913 1.00 0.00 C ATOM 913 O ILE A 62 6.947 1.617 6.597 1.00 0.00 O ATOM 914 CB ILE A 62 8.358 1.016 9.445 1.00 0.00 C ATOM 915 CG1 ILE A 62 9.156 1.482 10.664 1.00 0.00 C ATOM 916 CG2 ILE A 62 8.541 -0.479 9.176 1.00 0.00 C ATOM 917 CD1 ILE A 62 8.507 0.998 11.962 1.00 0.00 C ATOM 0 H ILE A 62 7.971 3.453 9.324 1.00 0.00 H new ATOM 0 HA ILE A 62 9.795 1.765 8.102 1.00 0.00 H new ATOM 0 HB ILE A 62 7.304 1.175 9.671 1.00 0.00 H new ATOM 0 HG12 ILE A 62 10.177 1.105 10.601 1.00 0.00 H new ATOM 0 HG13 ILE A 62 9.218 2.570 10.668 1.00 0.00 H new ATOM 0 HG21 ILE A 62 8.282 -1.044 10.071 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.892 -0.783 8.355 1.00 0.00 H new ATOM 0 HG23 ILE A 62 9.579 -0.676 8.910 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.094 1.343 12.813 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.495 1.397 12.034 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.469 -0.091 11.965 1.00 0.00 H new ATOM 929 N GLY A 63 8.885 0.520 6.200 1.00 0.00 N ATOM 930 CA GLY A 63 8.430 -0.059 4.947 1.00 0.00 C ATOM 931 C GLY A 63 7.572 -1.300 5.197 1.00 0.00 C ATOM 932 O GLY A 63 7.002 -1.459 6.275 1.00 0.00 O ATOM 0 H GLY A 63 9.837 0.267 6.466 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.854 0.679 4.389 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.290 -0.325 4.332 1.00 0.00 H new ATOM 936 N ILE A 64 7.506 -2.149 4.181 1.00 0.00 N ATOM 937 CA ILE A 64 6.727 -3.372 4.277 1.00 0.00 C ATOM 938 C ILE A 64 7.605 -4.563 3.891 1.00 0.00 C ATOM 939 O ILE A 64 8.517 -4.428 3.077 1.00 0.00 O ATOM 940 CB ILE A 64 5.447 -3.257 3.447 1.00 0.00 C ATOM 941 CG1 ILE A 64 4.792 -1.887 3.634 1.00 0.00 C ATOM 942 CG2 ILE A 64 4.482 -4.402 3.765 1.00 0.00 C ATOM 943 CD1 ILE A 64 4.185 -1.756 5.032 1.00 0.00 C ATOM 0 H ILE A 64 7.979 -2.014 3.288 1.00 0.00 H new ATOM 0 HA ILE A 64 6.401 -3.536 5.304 1.00 0.00 H new ATOM 0 HB ILE A 64 5.715 -3.344 2.394 1.00 0.00 H new ATOM 0 HG12 ILE A 64 5.532 -1.102 3.480 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.016 -1.745 2.882 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.580 -4.296 3.162 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.961 -5.355 3.538 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.217 -4.371 4.822 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.726 -0.773 5.139 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.428 -2.527 5.174 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.968 -1.874 5.781 1.00 0.00 H new ATOM 955 N ASN A 65 7.300 -5.702 4.494 1.00 0.00 N ATOM 956 CA ASN A 65 8.051 -6.917 4.224 1.00 0.00 C ATOM 957 C ASN A 65 7.087 -8.019 3.781 1.00 0.00 C ATOM 958 O ASN A 65 6.380 -8.599 4.604 1.00 0.00 O ATOM 959 CB ASN A 65 8.781 -7.403 5.477 1.00 0.00 C ATOM 960 CG ASN A 65 9.926 -6.458 5.847 1.00 0.00 C ATOM 961 OD1 ASN A 65 9.724 -5.332 6.270 1.00 0.00 O ATOM 962 ND2 ASN A 65 11.137 -6.977 5.663 1.00 0.00 N ATOM 0 H ASN A 65 6.543 -5.810 5.169 1.00 0.00 H new ATOM 0 HA ASN A 65 8.780 -6.697 3.445 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.079 -7.471 6.308 1.00 0.00 H new ATOM 0 HB3 ASN A 65 9.173 -8.406 5.308 1.00 0.00 H new ATOM 0 HD21 ASN A 65 11.967 -6.425 5.880 1.00 0.00 H new ATOM 0 HD22 ASN A 65 11.236 -7.927 5.305 1.00 0.00 H new ATOM 969 N PRO A 66 7.089 -8.282 2.446 1.00 0.00 N ATOM 970 CA PRO A 66 6.224 -9.305 1.884 1.00 0.00 C ATOM 971 C PRO A 66 6.755 -10.705 2.196 1.00 0.00 C ATOM 972 O PRO A 66 6.909 -11.530 1.296 1.00 0.00 O ATOM 973 CB PRO A 66 6.178 -9.006 0.394 1.00 0.00 C ATOM 974 CG PRO A 66 7.379 -8.118 0.110 1.00 0.00 C ATOM 975 CD PRO A 66 7.913 -7.616 1.442 1.00 0.00 C ATOM 0 HA PRO A 66 5.222 -9.289 2.312 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.225 -9.925 -0.190 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.249 -8.504 0.125 1.00 0.00 H new ATOM 0 HG2 PRO A 66 8.148 -8.676 -0.424 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.093 -7.281 -0.526 1.00 0.00 H new ATOM 0 HD2 PRO A 66 8.967 -7.866 1.566 1.00 0.00 H new ATOM 0 HD3 PRO A 66 7.831 -6.532 1.518 1.00 0.00 H new ATOM 983 N ALA A 67 7.021 -10.931 3.474 1.00 0.00 N ATOM 984 CA ALA A 67 7.532 -12.218 3.916 1.00 0.00 C ATOM 985 C ALA A 67 6.364 -13.098 4.366 1.00 0.00 C ATOM 986 O ALA A 67 6.515 -14.310 4.512 1.00 0.00 O ATOM 987 CB ALA A 67 8.562 -12.004 5.027 1.00 0.00 C ATOM 0 H ALA A 67 6.892 -10.245 4.218 1.00 0.00 H new ATOM 0 HA ALA A 67 8.037 -12.732 3.098 1.00 0.00 H new ATOM 0 HB1 ALA A 67 8.945 -12.969 5.359 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.385 -11.397 4.648 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.091 -11.493 5.867 1.00 0.00 H new ATOM 993 N GLN A 68 5.225 -12.453 4.575 1.00 0.00 N ATOM 994 CA GLN A 68 4.032 -13.162 5.005 1.00 0.00 C ATOM 995 C GLN A 68 2.860 -12.841 4.077 1.00 0.00 C ATOM 996 O GLN A 68 2.995 -12.038 3.155 1.00 0.00 O ATOM 997 CB GLN A 68 3.689 -12.826 6.458 1.00 0.00 C ATOM 998 CG GLN A 68 3.868 -11.332 6.732 1.00 0.00 C ATOM 999 CD GLN A 68 5.344 -10.986 6.940 1.00 0.00 C ATOM 1000 OE1 GLN A 68 6.162 -11.823 7.285 1.00 0.00 O ATOM 1001 NE2 GLN A 68 5.638 -9.709 6.713 1.00 0.00 N ATOM 0 H GLN A 68 5.104 -11.447 4.454 1.00 0.00 H new ATOM 0 HA GLN A 68 4.230 -14.233 4.951 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.660 -13.117 6.669 1.00 0.00 H new ATOM 0 HB3 GLN A 68 4.327 -13.401 7.129 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.470 -10.755 5.897 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.296 -11.050 7.616 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.905 -9.060 6.426 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.596 -9.379 6.826 1.00 0.00 H new ATOM 1010 N THR A 69 1.735 -13.486 4.351 1.00 0.00 N ATOM 1011 CA THR A 69 0.540 -13.280 3.551 1.00 0.00 C ATOM 1012 C THR A 69 0.022 -11.851 3.725 1.00 0.00 C ATOM 1013 O THR A 69 0.246 -11.227 4.762 1.00 0.00 O ATOM 1014 CB THR A 69 -0.482 -14.348 3.944 1.00 0.00 C ATOM 1015 OG1 THR A 69 -0.917 -13.953 5.242 1.00 0.00 O ATOM 1016 CG2 THR A 69 0.160 -15.719 4.168 1.00 0.00 C ATOM 0 H THR A 69 1.626 -14.152 5.116 1.00 0.00 H new ATOM 0 HA THR A 69 0.753 -13.389 2.487 1.00 0.00 H new ATOM 0 HB THR A 69 -1.242 -14.425 3.166 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.584 -14.591 5.572 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.609 -16.440 4.445 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.650 -16.045 3.251 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.897 -15.649 4.968 1.00 0.00 H new ATOM 1024 N ALA A 70 -0.660 -11.373 2.695 1.00 0.00 N ATOM 1025 CA ALA A 70 -1.212 -10.029 2.721 1.00 0.00 C ATOM 1026 C ALA A 70 -1.921 -9.799 4.057 1.00 0.00 C ATOM 1027 O ALA A 70 -1.634 -8.829 4.757 1.00 0.00 O ATOM 1028 CB ALA A 70 -2.146 -9.837 1.525 1.00 0.00 C ATOM 0 H ALA A 70 -0.843 -11.893 1.837 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.418 -9.287 2.637 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.560 -8.829 1.545 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.587 -9.982 0.600 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.957 -10.563 1.577 1.00 0.00 H new ATOM 1034 N GLY A 71 -2.833 -10.707 4.371 1.00 0.00 N ATOM 1035 CA GLY A 71 -3.585 -10.616 5.611 1.00 0.00 C ATOM 1036 C GLY A 71 -2.647 -10.528 6.816 1.00 0.00 C ATOM 1037 O GLY A 71 -3.040 -10.053 7.880 1.00 0.00 O ATOM 0 H GLY A 71 -3.068 -11.510 3.788 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.232 -9.739 5.585 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.232 -11.487 5.713 1.00 0.00 H new ATOM 1041 N ASN A 72 -1.424 -10.992 6.609 1.00 0.00 N ATOM 1042 CA ASN A 72 -0.426 -10.972 7.665 1.00 0.00 C ATOM 1043 C ASN A 72 0.425 -9.708 7.532 1.00 0.00 C ATOM 1044 O ASN A 72 1.090 -9.300 8.483 1.00 0.00 O ATOM 1045 CB ASN A 72 0.505 -12.182 7.566 1.00 0.00 C ATOM 1046 CG ASN A 72 0.010 -13.329 8.450 1.00 0.00 C ATOM 1047 OD1 ASN A 72 -1.177 -13.516 8.661 1.00 0.00 O ATOM 1048 ND2 ASN A 72 0.983 -14.083 8.953 1.00 0.00 N ATOM 0 H ASN A 72 -1.101 -11.385 5.725 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.947 -10.996 8.622 1.00 0.00 H new ATOM 0 HB2 ASN A 72 0.564 -12.516 6.530 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.513 -11.895 7.867 1.00 0.00 H new ATOM 0 HD21 ASN A 72 0.756 -14.874 9.556 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.957 -13.871 8.736 1.00 0.00 H new ATOM 1055 N VAL A 73 0.377 -9.122 6.345 1.00 0.00 N ATOM 1056 CA VAL A 73 1.136 -7.913 6.075 1.00 0.00 C ATOM 1057 C VAL A 73 0.273 -6.692 6.400 1.00 0.00 C ATOM 1058 O VAL A 73 0.732 -5.761 7.059 1.00 0.00 O ATOM 1059 CB VAL A 73 1.639 -7.922 4.630 1.00 0.00 C ATOM 1060 CG1 VAL A 73 2.250 -6.570 4.254 1.00 0.00 C ATOM 1061 CG2 VAL A 73 2.640 -9.057 4.405 1.00 0.00 C ATOM 0 H VAL A 73 -0.176 -9.462 5.559 1.00 0.00 H new ATOM 0 HA VAL A 73 2.019 -7.866 6.712 1.00 0.00 H new ATOM 0 HB VAL A 73 0.783 -8.096 3.978 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.600 -6.603 3.222 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.497 -5.789 4.357 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.089 -6.354 4.915 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.982 -9.041 3.370 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.493 -8.927 5.071 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.159 -10.013 4.613 1.00 0.00 H new ATOM 1071 N PHE A 74 -0.962 -6.736 5.922 1.00 0.00 N ATOM 1072 CA PHE A 74 -1.893 -5.645 6.154 1.00 0.00 C ATOM 1073 C PHE A 74 -2.315 -5.587 7.623 1.00 0.00 C ATOM 1074 O PHE A 74 -2.880 -4.590 8.072 1.00 0.00 O ATOM 1075 CB PHE A 74 -3.127 -5.919 5.291 1.00 0.00 C ATOM 1076 CG PHE A 74 -4.295 -6.542 6.057 1.00 0.00 C ATOM 1077 CD1 PHE A 74 -4.100 -7.665 6.800 1.00 0.00 C ATOM 1078 CD2 PHE A 74 -5.529 -5.974 5.995 1.00 0.00 C ATOM 1079 CE1 PHE A 74 -5.185 -8.244 7.510 1.00 0.00 C ATOM 1080 CE2 PHE A 74 -6.614 -6.553 6.706 1.00 0.00 C ATOM 1081 CZ PHE A 74 -6.419 -7.675 7.449 1.00 0.00 C ATOM 0 H PHE A 74 -1.339 -7.510 5.375 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.423 -4.695 5.902 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.459 -4.983 4.841 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.846 -6.583 4.474 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.120 -8.116 6.850 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -5.684 -5.083 5.405 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.030 -9.136 8.099 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -7.594 -6.102 6.656 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.244 -8.114 7.991 1.00 0.00 H new ATOM 1091 N LEU A 75 -2.025 -6.667 8.332 1.00 0.00 N ATOM 1092 CA LEU A 75 -2.368 -6.752 9.742 1.00 0.00 C ATOM 1093 C LEU A 75 -1.192 -6.244 10.579 1.00 0.00 C ATOM 1094 O LEU A 75 -1.360 -5.363 11.421 1.00 0.00 O ATOM 1095 CB LEU A 75 -2.811 -8.172 10.101 1.00 0.00 C ATOM 1096 CG LEU A 75 -3.438 -8.348 11.485 1.00 0.00 C ATOM 1097 CD1 LEU A 75 -4.961 -8.460 11.387 1.00 0.00 C ATOM 1098 CD2 LEU A 75 -2.823 -9.542 12.218 1.00 0.00 C ATOM 0 H LEU A 75 -1.556 -7.491 7.957 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.221 -6.111 9.967 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.529 -8.507 9.353 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.945 -8.831 10.029 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.217 -7.458 12.075 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.382 -8.584 12.385 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.364 -7.554 10.934 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.224 -9.321 10.773 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.287 -9.645 13.199 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.992 -10.450 11.640 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.751 -9.383 12.338 1.00 0.00 H new ATOM 1110 N LYS A 76 -0.029 -6.822 10.320 1.00 0.00 N ATOM 1111 CA LYS A 76 1.174 -6.439 11.039 1.00 0.00 C ATOM 1112 C LYS A 76 1.502 -4.976 10.733 1.00 0.00 C ATOM 1113 O LYS A 76 1.870 -4.218 11.629 1.00 0.00 O ATOM 1114 CB LYS A 76 2.318 -7.405 10.723 1.00 0.00 C ATOM 1115 CG LYS A 76 2.986 -7.048 9.393 1.00 0.00 C ATOM 1116 CD LYS A 76 4.245 -7.887 9.169 1.00 0.00 C ATOM 1117 CE LYS A 76 5.503 -7.097 9.537 1.00 0.00 C ATOM 1118 NZ LYS A 76 6.092 -7.616 10.792 1.00 0.00 N ATOM 0 H LYS A 76 0.106 -7.553 9.622 1.00 0.00 H new ATOM 0 HA LYS A 76 1.014 -6.512 12.115 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.056 -7.375 11.524 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.936 -8.425 10.680 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.285 -7.212 8.574 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.244 -5.989 9.384 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.193 -8.795 9.770 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.299 -8.198 8.126 1.00 0.00 H new ATOM 0 HE2 LYS A 76 6.232 -7.167 8.730 1.00 0.00 H new ATOM 0 HE3 LYS A 76 5.256 -6.042 9.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 6.945 -7.069 11.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 5.400 -7.527 11.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.346 -8.617 10.668 1.00 0.00 H new ATOM 1132 N HIS A 77 1.358 -4.624 9.464 1.00 0.00 N ATOM 1133 CA HIS A 77 1.634 -3.265 9.029 1.00 0.00 C ATOM 1134 C HIS A 77 0.382 -2.404 9.207 1.00 0.00 C ATOM 1135 O HIS A 77 0.452 -1.307 9.759 1.00 0.00 O ATOM 1136 CB HIS A 77 2.163 -3.252 7.593 1.00 0.00 C ATOM 1137 CG HIS A 77 3.451 -4.018 7.406 1.00 0.00 C ATOM 1138 ND1 HIS A 77 4.697 -3.442 7.575 1.00 0.00 N ATOM 1139 CD2 HIS A 77 3.671 -5.320 7.065 1.00 0.00 C ATOM 1140 CE1 HIS A 77 5.620 -4.364 7.341 1.00 0.00 C ATOM 1141 NE2 HIS A 77 4.981 -5.528 7.025 1.00 0.00 N ATOM 0 H HIS A 77 1.054 -5.256 8.723 1.00 0.00 H new ATOM 0 HA HIS A 77 2.420 -2.834 9.649 1.00 0.00 H new ATOM 0 HB2 HIS A 77 1.404 -3.672 6.933 1.00 0.00 H new ATOM 0 HB3 HIS A 77 2.319 -2.219 7.283 1.00 0.00 H new ATOM 0 HD2 HIS A 77 2.908 -6.057 6.862 1.00 0.00 H new ATOM 0 HE1 HIS A 77 6.689 -4.220 7.391 1.00 0.00 H new ATOM 0 HE2 HIS A 77 5.435 -6.412 6.796 1.00 0.00 H new ATOM 1149 N GLY A 78 -0.735 -2.934 8.729 1.00 0.00 N ATOM 1150 CA GLY A 78 -2.001 -2.228 8.829 1.00 0.00 C ATOM 1151 C GLY A 78 -2.657 -2.082 7.455 1.00 0.00 C ATOM 1152 O GLY A 78 -1.992 -2.212 6.428 1.00 0.00 O ATOM 0 H GLY A 78 -0.789 -3.844 8.271 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.670 -2.767 9.500 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.838 -1.242 9.265 1.00 0.00 H new ATOM 1156 N SER A 79 -3.954 -1.815 7.479 1.00 0.00 N ATOM 1157 CA SER A 79 -4.708 -1.650 6.248 1.00 0.00 C ATOM 1158 C SER A 79 -4.483 -0.247 5.681 1.00 0.00 C ATOM 1159 O SER A 79 -4.134 -0.095 4.511 1.00 0.00 O ATOM 1160 CB SER A 79 -6.200 -1.897 6.478 1.00 0.00 C ATOM 1161 OG SER A 79 -6.859 -0.742 6.991 1.00 0.00 O ATOM 0 H SER A 79 -4.503 -1.709 8.332 1.00 0.00 H new ATOM 0 HA SER A 79 -4.353 -2.387 5.528 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.667 -2.194 5.539 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.327 -2.726 7.174 1.00 0.00 H new ATOM 0 HG SER A 79 -7.810 -0.939 7.123 1.00 0.00 H new ATOM 1167 N GLU A 80 -4.692 0.743 6.536 1.00 0.00 N ATOM 1168 CA GLU A 80 -4.516 2.128 6.135 1.00 0.00 C ATOM 1169 C GLU A 80 -3.029 2.448 5.969 1.00 0.00 C ATOM 1170 O GLU A 80 -2.322 2.657 6.953 1.00 0.00 O ATOM 1171 CB GLU A 80 -5.173 3.078 7.139 1.00 0.00 C ATOM 1172 CG GLU A 80 -6.691 2.889 7.160 1.00 0.00 C ATOM 1173 CD GLU A 80 -7.351 3.864 8.138 1.00 0.00 C ATOM 1174 OE1 GLU A 80 -7.172 3.653 9.357 1.00 0.00 O ATOM 1175 OE2 GLU A 80 -8.019 4.797 7.644 1.00 0.00 O ATOM 0 H GLU A 80 -4.982 0.613 7.505 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.008 2.272 5.173 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.767 2.899 8.134 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.935 4.109 6.879 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.094 3.043 6.159 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.930 1.864 7.445 1.00 0.00 H new ATOM 1182 N LEU A 81 -2.599 2.478 4.716 1.00 0.00 N ATOM 1183 CA LEU A 81 -1.209 2.769 4.408 1.00 0.00 C ATOM 1184 C LEU A 81 -1.144 3.922 3.405 1.00 0.00 C ATOM 1185 O LEU A 81 -2.167 4.330 2.856 1.00 0.00 O ATOM 1186 CB LEU A 81 -0.488 1.504 3.938 1.00 0.00 C ATOM 1187 CG LEU A 81 -0.848 0.213 4.677 1.00 0.00 C ATOM 1188 CD1 LEU A 81 -0.761 -0.996 3.743 1.00 0.00 C ATOM 1189 CD2 LEU A 81 0.019 0.036 5.925 1.00 0.00 C ATOM 0 H LEU A 81 -3.189 2.306 3.902 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.681 3.095 5.304 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.698 1.363 2.878 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.586 1.666 4.032 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.883 0.288 5.011 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.022 -1.900 4.293 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.454 -0.864 2.912 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.255 -1.086 3.358 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.257 -0.889 6.432 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.069 -0.008 5.635 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.136 0.879 6.598 1.00 0.00 H new ATOM 1201 N ARG A 82 0.068 4.416 3.197 1.00 0.00 N ATOM 1202 CA ARG A 82 0.279 5.514 2.269 1.00 0.00 C ATOM 1203 C ARG A 82 1.272 5.105 1.179 1.00 0.00 C ATOM 1204 O ARG A 82 2.262 4.430 1.458 1.00 0.00 O ATOM 1205 CB ARG A 82 0.810 6.752 2.994 1.00 0.00 C ATOM 1206 CG ARG A 82 -0.271 7.375 3.879 1.00 0.00 C ATOM 1207 CD ARG A 82 0.288 7.735 5.258 1.00 0.00 C ATOM 1208 NE ARG A 82 -0.820 7.914 6.222 1.00 0.00 N ATOM 1209 CZ ARG A 82 -0.676 8.454 7.440 1.00 0.00 C ATOM 1210 NH1 ARG A 82 0.530 8.871 7.849 1.00 0.00 N ATOM 1211 NH2 ARG A 82 -1.737 8.577 8.248 1.00 0.00 N ATOM 0 H ARG A 82 0.914 4.076 3.655 1.00 0.00 H new ATOM 0 HA ARG A 82 -0.683 5.756 1.817 1.00 0.00 H new ATOM 0 HB2 ARG A 82 1.671 6.479 3.604 1.00 0.00 H new ATOM 0 HB3 ARG A 82 1.155 7.485 2.265 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -0.668 8.269 3.399 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -1.101 6.678 3.990 1.00 0.00 H new ATOM 0 HD2 ARG A 82 0.959 6.949 5.604 1.00 0.00 H new ATOM 0 HD3 ARG A 82 0.876 8.650 5.193 1.00 0.00 H new ATOM 0 HE ARG A 82 -1.752 7.607 5.942 1.00 0.00 H new ATOM 0 HH11 ARG A 82 1.338 8.777 7.233 1.00 0.00 H new ATOM 0 HH12 ARG A 82 0.640 9.282 8.776 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -2.655 8.260 7.936 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -1.627 8.988 9.175 1.00 0.00 H new ATOM 1225 N ILE A 83 0.972 5.530 -0.039 1.00 0.00 N ATOM 1226 CA ILE A 83 1.825 5.216 -1.172 1.00 0.00 C ATOM 1227 C ILE A 83 2.778 6.386 -1.428 1.00 0.00 C ATOM 1228 O ILE A 83 2.339 7.488 -1.755 1.00 0.00 O ATOM 1229 CB ILE A 83 0.981 4.833 -2.390 1.00 0.00 C ATOM 1230 CG1 ILE A 83 1.707 3.804 -3.259 1.00 0.00 C ATOM 1231 CG2 ILE A 83 0.576 6.074 -3.188 1.00 0.00 C ATOM 1232 CD1 ILE A 83 0.709 2.894 -3.978 1.00 0.00 C ATOM 0 H ILE A 83 0.150 6.089 -0.266 1.00 0.00 H new ATOM 0 HA ILE A 83 2.441 4.344 -0.953 1.00 0.00 H new ATOM 0 HB ILE A 83 0.063 4.364 -2.036 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.331 4.316 -3.991 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.372 3.203 -2.639 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.023 5.774 -4.048 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.009 6.740 -2.553 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.470 6.593 -3.532 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.250 2.172 -4.589 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.103 2.365 -3.242 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.062 3.496 -4.616 1.00 0.00 H new ATOM 1244 N ILE A 84 4.063 6.107 -1.269 1.00 0.00 N ATOM 1245 CA ILE A 84 5.081 7.122 -1.478 1.00 0.00 C ATOM 1246 C ILE A 84 5.872 6.792 -2.745 1.00 0.00 C ATOM 1247 O ILE A 84 5.936 5.635 -3.158 1.00 0.00 O ATOM 1248 CB ILE A 84 5.953 7.271 -0.230 1.00 0.00 C ATOM 1249 CG1 ILE A 84 6.955 6.120 -0.120 1.00 0.00 C ATOM 1250 CG2 ILE A 84 5.093 7.404 1.028 1.00 0.00 C ATOM 1251 CD1 ILE A 84 8.394 6.637 -0.183 1.00 0.00 C ATOM 0 H ILE A 84 4.423 5.192 -0.998 1.00 0.00 H new ATOM 0 HA ILE A 84 4.620 8.097 -1.635 1.00 0.00 H new ATOM 0 HB ILE A 84 6.529 8.191 -0.325 1.00 0.00 H new ATOM 0 HG12 ILE A 84 6.798 5.585 0.816 1.00 0.00 H new ATOM 0 HG13 ILE A 84 6.785 5.407 -0.927 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.738 7.508 1.900 1.00 0.00 H new ATOM 0 HG22 ILE A 84 4.455 8.283 0.941 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.472 6.515 1.140 1.00 0.00 H new ATOM 0 HD11 ILE A 84 9.086 5.798 -0.103 1.00 0.00 H new ATOM 0 HD12 ILE A 84 8.555 7.151 -1.131 1.00 0.00 H new ATOM 0 HD13 ILE A 84 8.568 7.331 0.640 1.00 0.00 H new ATOM 1263 N PRO A 85 6.470 7.857 -3.343 1.00 0.00 N ATOM 1264 CA PRO A 85 7.255 7.692 -4.555 1.00 0.00 C ATOM 1265 C PRO A 85 8.613 7.057 -4.247 1.00 0.00 C ATOM 1266 O PRO A 85 9.446 7.662 -3.574 1.00 0.00 O ATOM 1267 CB PRO A 85 7.371 9.089 -5.142 1.00 0.00 C ATOM 1268 CG PRO A 85 7.050 10.046 -4.005 1.00 0.00 C ATOM 1269 CD PRO A 85 6.417 9.241 -2.883 1.00 0.00 C ATOM 0 HA PRO A 85 6.789 7.012 -5.269 1.00 0.00 H new ATOM 0 HB2 PRO A 85 8.373 9.267 -5.531 1.00 0.00 H new ATOM 0 HB3 PRO A 85 6.678 9.223 -5.973 1.00 0.00 H new ATOM 0 HG2 PRO A 85 7.956 10.541 -3.655 1.00 0.00 H new ATOM 0 HG3 PRO A 85 6.370 10.828 -4.344 1.00 0.00 H new ATOM 0 HD2 PRO A 85 6.962 9.368 -1.948 1.00 0.00 H new ATOM 0 HD3 PRO A 85 5.390 9.558 -2.699 1.00 0.00 H new ATOM 1277 N ARG A 86 8.793 5.847 -4.755 1.00 0.00 N ATOM 1278 CA ARG A 86 10.036 5.124 -4.542 1.00 0.00 C ATOM 1279 C ARG A 86 11.191 5.837 -5.248 1.00 0.00 C ATOM 1280 O ARG A 86 11.014 6.393 -6.331 1.00 0.00 O ATOM 1281 CB ARG A 86 9.935 3.690 -5.066 1.00 0.00 C ATOM 1282 CG ARG A 86 11.129 2.853 -4.605 1.00 0.00 C ATOM 1283 CD ARG A 86 10.840 2.176 -3.263 1.00 0.00 C ATOM 1284 NE ARG A 86 12.020 2.282 -2.377 1.00 0.00 N ATOM 1285 CZ ARG A 86 12.229 1.504 -1.306 1.00 0.00 C ATOM 1286 NH1 ARG A 86 11.337 0.558 -0.982 1.00 0.00 N ATOM 1287 NH2 ARG A 86 13.328 1.673 -0.559 1.00 0.00 N ATOM 0 H ARG A 86 8.100 5.349 -5.313 1.00 0.00 H new ATOM 0 HA ARG A 86 10.224 5.094 -3.469 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.009 3.235 -4.714 1.00 0.00 H new ATOM 0 HB3 ARG A 86 9.891 3.699 -6.155 1.00 0.00 H new ATOM 0 HG2 ARG A 86 11.359 2.097 -5.356 1.00 0.00 H new ATOM 0 HG3 ARG A 86 12.009 3.489 -4.513 1.00 0.00 H new ATOM 0 HD2 ARG A 86 9.977 2.643 -2.789 1.00 0.00 H new ATOM 0 HD3 ARG A 86 10.588 1.128 -3.422 1.00 0.00 H new ATOM 0 HE ARG A 86 12.719 2.992 -2.595 1.00 0.00 H new ATOM 0 HH11 ARG A 86 10.500 0.430 -1.550 1.00 0.00 H new ATOM 0 HH12 ARG A 86 11.495 -0.035 -0.167 1.00 0.00 H new ATOM 0 HH21 ARG A 86 14.006 2.394 -0.805 1.00 0.00 H new ATOM 0 HH22 ARG A 86 13.487 1.081 0.256 1.00 0.00 H new