USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 709 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 103 HIS : no HD1:sc= -0.246 X(o=-2.1,f=-2.1) USER MOD Set 1.2: A 105 GLN : amide:sc= -1.89 X(o=-2.1,f=-1.8) USER MOD Set 2.1: A 50 CYS SG : rot -150:sc= 0 USER MOD Set 2.2: A 59 THR OG1 : rot -170:sc= 0 USER MOD Single : A 11 CYS SG : rot 109:sc= -1.13 USER MOD Single : A 13 ASN : amide:sc= 0.512 X(o=0.51,f=0.015) USER MOD Single : A 14 HIS :FLIP no HD1:sc= -3! F(o=-3.6,f=-3!) USER MOD Single : A 16 ASN : amide:sc= -0.416 X(o=-0.42,f=-0.45) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.361 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00211) USER MOD Single : A 27 SER OG : rot 76:sc= 0.00165 USER MOD Single : A 29 THR OG1 : rot 80:sc= 0.177 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -130:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.308 X(o=-0.31,f=-0.34) USER MOD Single : A 56 CYS SG : rot 9:sc= 0.344 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 125:sc= 0.00392 USER MOD Single : A 65 ASN : amide:sc= -5.86! C(o=-5.9!,f=-16!) USER MOD Single : A 69 LYS NZ :NH3+ -176:sc= 0.892 (180deg=0.883) USER MOD Single : A 71 THR OG1 : rot 137:sc= 0.131 USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -140:sc=-0.00542 (180deg=-0.212) USER MOD Single : A 95 LYS NZ :NH3+ -148:sc= -0.438 (180deg=-1.23) USER MOD Single : A 102 THR OG1 : rot 170:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 113 N CYS A 11 3.092 -0.692 -12.204 1.00 0.00 N ATOM 114 CA CYS A 11 4.194 -0.026 -11.517 1.00 0.00 C ATOM 115 C CYS A 11 3.913 0.089 -10.023 1.00 0.00 C ATOM 116 O CYS A 11 4.819 -0.038 -9.199 1.00 0.00 O ATOM 117 CB CYS A 11 4.428 1.362 -12.114 1.00 0.00 C ATOM 118 SG CYS A 11 3.049 2.508 -11.881 1.00 0.00 S ATOM 0 HA CYS A 11 5.092 -0.628 -11.653 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.324 1.792 -11.666 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.624 1.258 -13.181 1.00 0.00 H new ATOM 0 HG CYS A 11 3.381 3.415 -11.011 1.00 0.00 H new ATOM 124 N TRP A 12 2.653 0.334 -9.680 1.00 0.00 N ATOM 125 CA TRP A 12 2.253 0.468 -8.284 1.00 0.00 C ATOM 126 C TRP A 12 2.473 -0.836 -7.527 1.00 0.00 C ATOM 127 O TRP A 12 2.379 -0.876 -6.301 1.00 0.00 O ATOM 128 CB TRP A 12 0.785 0.886 -8.191 1.00 0.00 C ATOM 129 CG TRP A 12 -0.127 0.043 -9.030 1.00 0.00 C ATOM 130 CD1 TRP A 12 -0.634 0.357 -10.259 1.00 0.00 C ATOM 131 CD2 TRP A 12 -0.640 -1.253 -8.702 1.00 0.00 C ATOM 132 NE1 TRP A 12 -1.432 -0.665 -10.713 1.00 0.00 N ATOM 133 CE2 TRP A 12 -1.451 -1.665 -9.777 1.00 0.00 C ATOM 134 CE3 TRP A 12 -0.492 -2.106 -7.605 1.00 0.00 C ATOM 135 CZ2 TRP A 12 -2.111 -2.891 -9.785 1.00 0.00 C ATOM 136 CZ3 TRP A 12 -1.147 -3.322 -7.614 1.00 0.00 C ATOM 137 CH2 TRP A 12 -1.948 -3.706 -8.698 1.00 0.00 C ATOM 0 H TRP A 12 1.891 0.444 -10.349 1.00 0.00 H new ATOM 0 HA TRP A 12 2.872 1.240 -7.827 1.00 0.00 H new ATOM 0 HB2 TRP A 12 0.464 0.831 -7.151 1.00 0.00 H new ATOM 0 HB3 TRP A 12 0.691 1.927 -8.499 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -0.437 1.274 -10.795 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -1.930 -0.677 -11.603 1.00 0.00 H new ATOM 0 HE3 TRP A 12 0.124 -1.820 -6.765 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -2.729 -3.188 -10.619 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -1.040 -3.989 -6.771 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -2.446 -4.664 -8.675 1.00 0.00 H new ATOM 148 N ASN A 13 2.766 -1.902 -8.265 1.00 0.00 N ATOM 149 CA ASN A 13 2.999 -3.209 -7.661 1.00 0.00 C ATOM 150 C ASN A 13 4.489 -3.537 -7.631 1.00 0.00 C ATOM 151 O ASN A 13 4.969 -4.367 -8.403 1.00 0.00 O ATOM 152 CB ASN A 13 2.243 -4.292 -8.433 1.00 0.00 C ATOM 153 CG ASN A 13 2.117 -5.582 -7.645 1.00 0.00 C ATOM 154 OD1 ASN A 13 3.111 -6.255 -7.372 1.00 0.00 O ATOM 155 ND2 ASN A 13 0.891 -5.933 -7.276 1.00 0.00 N ATOM 0 H ASN A 13 2.848 -1.886 -9.282 1.00 0.00 H new ATOM 0 HA ASN A 13 2.631 -3.178 -6.635 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.248 -3.926 -8.687 1.00 0.00 H new ATOM 0 HB3 ASN A 13 2.759 -4.492 -9.372 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.744 -6.791 -6.744 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.096 -5.345 -7.524 1.00 0.00 H new ATOM 162 N HIS A 14 5.216 -2.879 -6.733 1.00 0.00 N ATOM 163 CA HIS A 14 6.651 -3.101 -6.600 1.00 0.00 C ATOM 164 C HIS A 14 6.952 -4.575 -6.344 1.00 0.00 C ATOM 165 O HIS A 14 7.485 -5.269 -7.208 1.00 0.00 O ATOM 166 CB HIS A 14 7.218 -2.248 -5.465 1.00 0.00 C ATOM 167 CG HIS A 14 7.463 -0.822 -5.853 1.00 0.00 C ATOM 168 ND1 HIS A 14 6.616 0.129 -6.310 1.00 0.00 N flip ATOM 169 CD2 HIS A 14 8.706 -0.229 -5.792 1.00 0.00 C flip ATOM 170 CE1 HIS A 14 7.355 1.269 -6.514 1.00 0.00 C flip ATOM 171 NE2 HIS A 14 8.613 1.027 -6.193 1.00 0.00 N flip ATOM 0 H HIS A 14 4.835 -2.188 -6.087 1.00 0.00 H new ATOM 0 HA HIS A 14 7.127 -2.809 -7.536 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.527 -2.273 -4.622 1.00 0.00 H new ATOM 0 HB3 HIS A 14 8.154 -2.689 -5.123 1.00 0.00 H new ATOM 0 HD2 HIS A 14 9.614 -0.715 -5.467 1.00 0.00 H new ATOM 0 HE1 HIS A 14 6.970 2.210 -6.878 1.00 0.00 H new ATOM 0 HE2 HIS A 14 9.382 1.695 -6.246 1.00 0.00 H new ATOM 180 N GLY A 15 6.606 -5.045 -5.149 1.00 0.00 N ATOM 181 CA GLY A 15 6.848 -6.433 -4.800 1.00 0.00 C ATOM 182 C GLY A 15 7.136 -6.617 -3.323 1.00 0.00 C ATOM 183 O GLY A 15 6.514 -5.975 -2.478 1.00 0.00 O ATOM 0 H GLY A 15 6.163 -4.490 -4.417 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.979 -7.031 -5.075 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.690 -6.809 -5.381 1.00 0.00 H new ATOM 187 N ASN A 16 8.080 -7.499 -3.012 1.00 0.00 N ATOM 188 CA ASN A 16 8.448 -7.768 -1.626 1.00 0.00 C ATOM 189 C ASN A 16 9.502 -6.778 -1.141 1.00 0.00 C ATOM 190 O ASN A 16 10.590 -7.171 -0.718 1.00 0.00 O ATOM 191 CB ASN A 16 8.972 -9.199 -1.484 1.00 0.00 C ATOM 192 CG ASN A 16 7.877 -10.235 -1.651 1.00 0.00 C ATOM 193 OD1 ASN A 16 7.261 -10.665 -0.676 1.00 0.00 O ATOM 194 ND2 ASN A 16 7.630 -10.640 -2.891 1.00 0.00 N ATOM 0 H ASN A 16 8.604 -8.040 -3.700 1.00 0.00 H new ATOM 0 HA ASN A 16 7.556 -7.652 -1.010 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.750 -9.374 -2.227 1.00 0.00 H new ATOM 0 HB3 ASN A 16 9.435 -9.318 -0.504 1.00 0.00 H new ATOM 0 HD21 ASN A 16 6.904 -11.335 -3.065 1.00 0.00 H new ATOM 0 HD22 ASN A 16 8.166 -10.256 -3.669 1.00 0.00 H new ATOM 201 N ILE A 17 9.172 -5.492 -1.204 1.00 0.00 N ATOM 202 CA ILE A 17 10.089 -4.446 -0.769 1.00 0.00 C ATOM 203 C ILE A 17 9.869 -4.097 0.699 1.00 0.00 C ATOM 204 O ILE A 17 8.742 -4.130 1.195 1.00 0.00 O ATOM 205 CB ILE A 17 9.931 -3.171 -1.618 1.00 0.00 C ATOM 206 CG1 ILE A 17 8.586 -2.503 -1.328 1.00 0.00 C ATOM 207 CG2 ILE A 17 10.058 -3.500 -3.098 1.00 0.00 C ATOM 208 CD1 ILE A 17 8.472 -1.104 -1.892 1.00 0.00 C ATOM 0 H ILE A 17 8.276 -5.150 -1.552 1.00 0.00 H new ATOM 0 HA ILE A 17 11.098 -4.837 -0.899 1.00 0.00 H new ATOM 0 HB ILE A 17 10.726 -2.474 -1.352 1.00 0.00 H new ATOM 0 HG12 ILE A 17 7.787 -3.119 -1.741 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.434 -2.465 -0.249 1.00 0.00 H new ATOM 0 HG21 ILE A 17 9.944 -2.588 -3.684 1.00 0.00 H new ATOM 0 HG22 ILE A 17 11.038 -3.935 -3.291 1.00 0.00 H new ATOM 0 HG23 ILE A 17 9.283 -4.212 -3.380 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.493 -0.692 -1.648 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.249 -0.473 -1.460 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.592 -1.137 -2.975 1.00 0.00 H new ATOM 220 N THR A 18 10.954 -3.762 1.391 1.00 0.00 N ATOM 221 CA THR A 18 10.880 -3.406 2.802 1.00 0.00 C ATOM 222 C THR A 18 10.148 -2.083 2.998 1.00 0.00 C ATOM 223 O THR A 18 9.793 -1.410 2.030 1.00 0.00 O ATOM 224 CB THR A 18 12.283 -3.300 3.429 1.00 0.00 C ATOM 225 OG1 THR A 18 12.179 -2.888 4.796 1.00 0.00 O ATOM 226 CG2 THR A 18 13.147 -2.312 2.660 1.00 0.00 C ATOM 0 H THR A 18 11.894 -3.730 0.997 1.00 0.00 H new ATOM 0 HA THR A 18 10.326 -4.202 3.300 1.00 0.00 H new ATOM 0 HB THR A 18 12.753 -4.282 3.381 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.075 -2.825 5.188 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.133 -2.254 3.122 1.00 0.00 H new ATOM 0 HG22 THR A 18 13.249 -2.645 1.627 1.00 0.00 H new ATOM 0 HG23 THR A 18 12.679 -1.328 2.679 1.00 0.00 H new ATOM 234 N ARG A 19 9.926 -1.716 4.256 1.00 0.00 N ATOM 235 CA ARG A 19 9.235 -0.473 4.578 1.00 0.00 C ATOM 236 C ARG A 19 10.067 0.736 4.159 1.00 0.00 C ATOM 237 O ARG A 19 9.646 1.531 3.319 1.00 0.00 O ATOM 238 CB ARG A 19 8.935 -0.405 6.076 1.00 0.00 C ATOM 239 CG ARG A 19 8.277 0.896 6.507 1.00 0.00 C ATOM 240 CD ARG A 19 8.125 0.969 8.019 1.00 0.00 C ATOM 241 NE ARG A 19 6.979 1.783 8.415 1.00 0.00 N ATOM 242 CZ ARG A 19 5.717 1.399 8.259 1.00 0.00 C ATOM 243 NH1 ARG A 19 5.440 0.220 7.720 1.00 0.00 N ATOM 244 NH2 ARG A 19 4.727 2.195 8.645 1.00 0.00 N ATOM 0 H ARG A 19 10.214 -2.261 5.068 1.00 0.00 H new ATOM 0 HA ARG A 19 8.296 -0.455 4.025 1.00 0.00 H new ATOM 0 HB2 ARG A 19 8.285 -1.238 6.346 1.00 0.00 H new ATOM 0 HB3 ARG A 19 9.865 -0.533 6.630 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.873 1.739 6.159 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.297 0.983 6.037 1.00 0.00 H new ATOM 0 HD2 ARG A 19 8.011 -0.038 8.421 1.00 0.00 H new ATOM 0 HD3 ARG A 19 9.033 1.385 8.455 1.00 0.00 H new ATOM 0 HE ARG A 19 7.157 2.696 8.834 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.197 -0.396 7.423 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.470 -0.071 7.602 1.00 0.00 H new ATOM 0 HH21 ARG A 19 4.935 3.102 9.062 1.00 0.00 H new ATOM 0 HH22 ARG A 19 3.758 1.899 8.525 1.00 0.00 H new ATOM 258 N SER A 20 11.250 0.867 4.751 1.00 0.00 N ATOM 259 CA SER A 20 12.139 1.981 4.444 1.00 0.00 C ATOM 260 C SER A 20 12.039 2.365 2.970 1.00 0.00 C ATOM 261 O SER A 20 12.140 3.539 2.614 1.00 0.00 O ATOM 262 CB SER A 20 13.584 1.618 4.791 1.00 0.00 C ATOM 263 OG SER A 20 13.747 1.453 6.189 1.00 0.00 O ATOM 0 H SER A 20 11.615 0.215 5.446 1.00 0.00 H new ATOM 0 HA SER A 20 11.832 2.836 5.046 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.864 0.698 4.278 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.254 2.399 4.433 1.00 0.00 H new ATOM 0 HG SER A 20 14.679 1.220 6.384 1.00 0.00 H new ATOM 269 N LYS A 21 11.840 1.366 2.117 1.00 0.00 N ATOM 270 CA LYS A 21 11.725 1.596 0.682 1.00 0.00 C ATOM 271 C LYS A 21 10.420 2.312 0.349 1.00 0.00 C ATOM 272 O LYS A 21 10.423 3.360 -0.296 1.00 0.00 O ATOM 273 CB LYS A 21 11.798 0.269 -0.076 1.00 0.00 C ATOM 274 CG LYS A 21 11.596 0.412 -1.574 1.00 0.00 C ATOM 275 CD LYS A 21 12.914 0.640 -2.295 1.00 0.00 C ATOM 276 CE LYS A 21 12.722 0.692 -3.803 1.00 0.00 C ATOM 277 NZ LYS A 21 12.502 -0.663 -4.381 1.00 0.00 N ATOM 0 H LYS A 21 11.755 0.388 2.395 1.00 0.00 H new ATOM 0 HA LYS A 21 12.556 2.230 0.373 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.768 -0.192 0.109 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.042 -0.409 0.321 1.00 0.00 H new ATOM 0 HG2 LYS A 21 11.117 -0.486 -1.965 1.00 0.00 H new ATOM 0 HG3 LYS A 21 10.922 1.245 -1.773 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.361 1.573 -1.952 1.00 0.00 H new ATOM 0 HD3 LYS A 21 13.611 -0.159 -2.043 1.00 0.00 H new ATOM 0 HE2 LYS A 21 11.870 1.330 -4.039 1.00 0.00 H new ATOM 0 HE3 LYS A 21 13.598 1.146 -4.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.392 -0.587 -5.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 13.318 -1.270 -4.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.642 -1.080 -3.971 1.00 0.00 H new ATOM 291 N ALA A 22 9.306 1.740 0.795 1.00 0.00 N ATOM 292 CA ALA A 22 7.995 2.326 0.547 1.00 0.00 C ATOM 293 C ALA A 22 7.946 3.778 1.009 1.00 0.00 C ATOM 294 O ALA A 22 7.124 4.562 0.535 1.00 0.00 O ATOM 295 CB ALA A 22 6.913 1.512 1.242 1.00 0.00 C ATOM 0 H ALA A 22 9.286 0.872 1.330 1.00 0.00 H new ATOM 0 HA ALA A 22 7.814 2.308 -0.528 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.939 1.961 1.048 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.924 0.491 0.860 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.100 1.500 2.316 1.00 0.00 H new ATOM 301 N GLU A 23 8.830 4.129 1.938 1.00 0.00 N ATOM 302 CA GLU A 23 8.885 5.487 2.465 1.00 0.00 C ATOM 303 C GLU A 23 9.777 6.371 1.598 1.00 0.00 C ATOM 304 O GLU A 23 9.306 7.322 0.974 1.00 0.00 O ATOM 305 CB GLU A 23 9.402 5.479 3.905 1.00 0.00 C ATOM 306 CG GLU A 23 8.498 4.733 4.872 1.00 0.00 C ATOM 307 CD GLU A 23 8.702 5.164 6.312 1.00 0.00 C ATOM 308 OE1 GLU A 23 8.993 6.357 6.539 1.00 0.00 O ATOM 309 OE2 GLU A 23 8.569 4.308 7.211 1.00 0.00 O ATOM 0 H GLU A 23 9.517 3.492 2.341 1.00 0.00 H new ATOM 0 HA GLU A 23 7.874 5.895 2.452 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.393 5.025 3.924 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.516 6.508 4.247 1.00 0.00 H new ATOM 0 HG2 GLU A 23 7.458 4.897 4.591 1.00 0.00 H new ATOM 0 HG3 GLU A 23 8.686 3.663 4.787 1.00 0.00 H new ATOM 316 N GLU A 24 11.067 6.051 1.566 1.00 0.00 N ATOM 317 CA GLU A 24 12.024 6.817 0.777 1.00 0.00 C ATOM 318 C GLU A 24 11.408 7.258 -0.548 1.00 0.00 C ATOM 319 O GLU A 24 11.674 8.358 -1.033 1.00 0.00 O ATOM 320 CB GLU A 24 13.283 5.987 0.516 1.00 0.00 C ATOM 321 CG GLU A 24 13.175 5.085 -0.703 1.00 0.00 C ATOM 322 CD GLU A 24 14.499 4.447 -1.075 1.00 0.00 C ATOM 323 OE1 GLU A 24 15.458 5.193 -1.364 1.00 0.00 O ATOM 324 OE2 GLU A 24 14.576 3.200 -1.077 1.00 0.00 O ATOM 0 H GLU A 24 11.473 5.267 2.077 1.00 0.00 H new ATOM 0 HA GLU A 24 12.295 7.707 1.345 1.00 0.00 H new ATOM 0 HB2 GLU A 24 14.131 6.659 0.386 1.00 0.00 H new ATOM 0 HB3 GLU A 24 13.493 5.375 1.393 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.441 4.303 -0.508 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.805 5.665 -1.548 1.00 0.00 H new ATOM 331 N LEU A 25 10.585 6.392 -1.128 1.00 0.00 N ATOM 332 CA LEU A 25 9.930 6.691 -2.397 1.00 0.00 C ATOM 333 C LEU A 25 8.914 7.816 -2.234 1.00 0.00 C ATOM 334 O LEU A 25 9.024 8.864 -2.872 1.00 0.00 O ATOM 335 CB LEU A 25 9.240 5.440 -2.944 1.00 0.00 C ATOM 336 CG LEU A 25 10.160 4.284 -3.337 1.00 0.00 C ATOM 337 CD1 LEU A 25 9.359 3.005 -3.527 1.00 0.00 C ATOM 338 CD2 LEU A 25 10.933 4.624 -4.603 1.00 0.00 C ATOM 0 H LEU A 25 10.355 5.477 -0.740 1.00 0.00 H new ATOM 0 HA LEU A 25 10.693 7.016 -3.104 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.537 5.079 -2.193 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.654 5.725 -3.818 1.00 0.00 H new ATOM 0 HG LEU A 25 10.875 4.124 -2.530 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.031 2.193 -3.806 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.851 2.752 -2.596 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.620 3.152 -4.315 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.583 3.790 -4.868 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.233 4.811 -5.417 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.538 5.515 -4.432 1.00 0.00 H new ATOM 350 N LEU A 26 7.925 7.593 -1.375 1.00 0.00 N ATOM 351 CA LEU A 26 6.889 8.590 -1.125 1.00 0.00 C ATOM 352 C LEU A 26 7.504 9.920 -0.701 1.00 0.00 C ATOM 353 O LEU A 26 7.192 10.967 -1.266 1.00 0.00 O ATOM 354 CB LEU A 26 5.926 8.093 -0.046 1.00 0.00 C ATOM 355 CG LEU A 26 5.160 6.809 -0.370 1.00 0.00 C ATOM 356 CD1 LEU A 26 4.469 6.272 0.874 1.00 0.00 C ATOM 357 CD2 LEU A 26 4.147 7.058 -1.479 1.00 0.00 C ATOM 0 H LEU A 26 7.819 6.731 -0.840 1.00 0.00 H new ATOM 0 HA LEU A 26 6.337 8.746 -2.052 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.492 7.933 0.872 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.203 8.882 0.159 1.00 0.00 H new ATOM 0 HG LEU A 26 5.873 6.061 -0.717 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.929 5.359 0.625 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.214 6.056 1.639 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.768 7.017 1.251 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.611 6.134 -1.697 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.438 7.822 -1.159 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.665 7.397 -2.376 1.00 0.00 H new ATOM 369 N SER A 27 8.380 9.869 0.297 1.00 0.00 N ATOM 370 CA SER A 27 9.038 11.070 0.799 1.00 0.00 C ATOM 371 C SER A 27 9.605 11.899 -0.350 1.00 0.00 C ATOM 372 O SER A 27 9.205 13.045 -0.559 1.00 0.00 O ATOM 373 CB SER A 27 10.157 10.695 1.773 1.00 0.00 C ATOM 374 OG SER A 27 9.649 9.965 2.876 1.00 0.00 O ATOM 0 H SER A 27 8.651 9.009 0.774 1.00 0.00 H new ATOM 0 HA SER A 27 8.294 11.669 1.324 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.910 10.101 1.255 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.653 11.599 2.128 1.00 0.00 H new ATOM 0 HG SER A 27 9.449 9.047 2.597 1.00 0.00 H new ATOM 380 N ARG A 28 10.537 11.311 -1.092 1.00 0.00 N ATOM 381 CA ARG A 28 11.160 11.994 -2.219 1.00 0.00 C ATOM 382 C ARG A 28 10.117 12.735 -3.050 1.00 0.00 C ATOM 383 O ARG A 28 10.225 13.942 -3.271 1.00 0.00 O ATOM 384 CB ARG A 28 11.911 10.993 -3.098 1.00 0.00 C ATOM 385 CG ARG A 28 13.288 10.628 -2.568 1.00 0.00 C ATOM 386 CD ARG A 28 13.992 9.637 -3.480 1.00 0.00 C ATOM 387 NE ARG A 28 14.737 10.305 -4.544 1.00 0.00 N ATOM 388 CZ ARG A 28 15.247 9.671 -5.594 1.00 0.00 C ATOM 389 NH1 ARG A 28 15.093 8.360 -5.721 1.00 0.00 N ATOM 390 NH2 ARG A 28 15.912 10.349 -6.521 1.00 0.00 N ATOM 0 H ARG A 28 10.878 10.363 -0.933 1.00 0.00 H new ATOM 0 HA ARG A 28 11.868 12.722 -1.823 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.315 10.085 -3.191 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.016 11.409 -4.100 1.00 0.00 H new ATOM 0 HG2 ARG A 28 13.893 11.530 -2.473 1.00 0.00 H new ATOM 0 HG3 ARG A 28 13.193 10.201 -1.570 1.00 0.00 H new ATOM 0 HD2 ARG A 28 14.673 9.023 -2.891 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.256 8.964 -3.920 1.00 0.00 H new ATOM 0 HE ARG A 28 14.873 11.314 -4.477 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.582 7.835 -5.011 1.00 0.00 H new ATOM 0 HH12 ARG A 28 15.486 7.876 -6.528 1.00 0.00 H new ATOM 0 HH21 ARG A 28 16.032 11.358 -6.427 1.00 0.00 H new ATOM 0 HH22 ARG A 28 16.303 9.861 -7.327 1.00 0.00 H new ATOM 404 N THR A 29 9.106 12.004 -3.509 1.00 0.00 N ATOM 405 CA THR A 29 8.044 12.591 -4.317 1.00 0.00 C ATOM 406 C THR A 29 7.404 13.777 -3.606 1.00 0.00 C ATOM 407 O THR A 29 7.370 14.887 -4.136 1.00 0.00 O ATOM 408 CB THR A 29 6.953 11.555 -4.648 1.00 0.00 C ATOM 409 OG1 THR A 29 7.550 10.369 -5.184 1.00 0.00 O ATOM 410 CG2 THR A 29 5.954 12.121 -5.646 1.00 0.00 C ATOM 0 H THR A 29 9.000 11.005 -3.335 1.00 0.00 H new ATOM 0 HA THR A 29 8.504 12.932 -5.244 1.00 0.00 H new ATOM 0 HB THR A 29 6.424 11.311 -3.727 1.00 0.00 H new ATOM 0 HG1 THR A 29 7.907 9.823 -4.453 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.193 11.371 -5.864 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.480 13.007 -5.224 1.00 0.00 H new ATOM 0 HG23 THR A 29 6.472 12.391 -6.566 1.00 0.00 H new ATOM 418 N GLY A 30 6.896 13.535 -2.401 1.00 0.00 N ATOM 419 CA GLY A 30 6.264 14.594 -1.636 1.00 0.00 C ATOM 420 C GLY A 30 4.958 15.055 -2.253 1.00 0.00 C ATOM 421 O GLY A 30 4.684 16.253 -2.325 1.00 0.00 O ATOM 0 H GLY A 30 6.911 12.625 -1.941 1.00 0.00 H new ATOM 0 HA2 GLY A 30 6.079 14.244 -0.621 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.946 15.441 -1.562 1.00 0.00 H new ATOM 425 N LYS A 31 4.149 14.101 -2.702 1.00 0.00 N ATOM 426 CA LYS A 31 2.864 14.413 -3.316 1.00 0.00 C ATOM 427 C LYS A 31 1.711 13.935 -2.440 1.00 0.00 C ATOM 428 O LYS A 31 1.710 12.800 -1.963 1.00 0.00 O ATOM 429 CB LYS A 31 2.768 13.768 -4.701 1.00 0.00 C ATOM 430 CG LYS A 31 3.335 14.631 -5.815 1.00 0.00 C ATOM 431 CD LYS A 31 3.458 13.854 -7.115 1.00 0.00 C ATOM 432 CE LYS A 31 3.513 14.784 -8.317 1.00 0.00 C ATOM 433 NZ LYS A 31 3.800 14.045 -9.577 1.00 0.00 N ATOM 0 H LYS A 31 4.361 13.105 -2.652 1.00 0.00 H new ATOM 0 HA LYS A 31 2.793 15.496 -3.420 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.297 12.815 -4.686 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.723 13.549 -4.919 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.692 15.498 -5.968 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.315 15.008 -5.521 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.357 13.238 -7.088 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.610 13.176 -7.217 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.563 15.310 -8.413 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.281 15.540 -8.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.829 14.714 -10.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.718 13.563 -9.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.053 13.341 -9.744 1.00 0.00 H new ATOM 447 N ASP A 32 0.730 14.807 -2.233 1.00 0.00 N ATOM 448 CA ASP A 32 -0.430 14.473 -1.416 1.00 0.00 C ATOM 449 C ASP A 32 -1.412 13.604 -2.196 1.00 0.00 C ATOM 450 O ASP A 32 -2.431 14.087 -2.686 1.00 0.00 O ATOM 451 CB ASP A 32 -1.128 15.747 -0.937 1.00 0.00 C ATOM 452 CG ASP A 32 -0.148 16.863 -0.631 1.00 0.00 C ATOM 453 OD1 ASP A 32 0.253 17.576 -1.575 1.00 0.00 O ATOM 454 OD2 ASP A 32 0.218 17.024 0.552 1.00 0.00 O ATOM 0 H ASP A 32 0.715 15.751 -2.620 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.083 13.910 -0.549 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.830 16.083 -1.701 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.711 15.524 -0.044 1.00 0.00 H new ATOM 459 N GLY A 33 -1.096 12.317 -2.307 1.00 0.00 N ATOM 460 CA GLY A 33 -1.959 11.401 -3.030 1.00 0.00 C ATOM 461 C GLY A 33 -1.224 10.161 -3.500 1.00 0.00 C ATOM 462 O GLY A 33 -1.844 9.140 -3.799 1.00 0.00 O ATOM 0 H GLY A 33 -0.258 11.893 -1.909 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.789 11.106 -2.388 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.388 11.914 -3.891 1.00 0.00 H new ATOM 466 N SER A 34 0.100 10.249 -3.566 1.00 0.00 N ATOM 467 CA SER A 34 0.920 9.127 -4.009 1.00 0.00 C ATOM 468 C SER A 34 0.558 7.856 -3.246 1.00 0.00 C ATOM 469 O SER A 34 -0.053 7.912 -2.179 1.00 0.00 O ATOM 470 CB SER A 34 2.404 9.446 -3.817 1.00 0.00 C ATOM 471 OG SER A 34 2.898 10.236 -4.885 1.00 0.00 O ATOM 0 H SER A 34 0.628 11.086 -3.318 1.00 0.00 H new ATOM 0 HA SER A 34 0.726 8.962 -5.069 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.547 9.974 -2.874 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.973 8.519 -3.753 1.00 0.00 H new ATOM 0 HG SER A 34 3.723 9.837 -5.233 1.00 0.00 H new ATOM 477 N PHE A 35 0.941 6.711 -3.801 1.00 0.00 N ATOM 478 CA PHE A 35 0.657 5.425 -3.175 1.00 0.00 C ATOM 479 C PHE A 35 1.457 4.309 -3.839 1.00 0.00 C ATOM 480 O PHE A 35 2.138 4.528 -4.842 1.00 0.00 O ATOM 481 CB PHE A 35 -0.839 5.114 -3.256 1.00 0.00 C ATOM 482 CG PHE A 35 -1.274 4.605 -4.600 1.00 0.00 C ATOM 483 CD1 PHE A 35 -1.427 5.475 -5.668 1.00 0.00 C ATOM 484 CD2 PHE A 35 -1.529 3.258 -4.796 1.00 0.00 C ATOM 485 CE1 PHE A 35 -1.827 5.010 -6.907 1.00 0.00 C ATOM 486 CE2 PHE A 35 -1.928 2.787 -6.033 1.00 0.00 C ATOM 487 CZ PHE A 35 -2.079 3.664 -7.089 1.00 0.00 C ATOM 0 H PHE A 35 1.449 6.647 -4.683 1.00 0.00 H new ATOM 0 HA PHE A 35 0.952 5.486 -2.127 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -1.089 4.372 -2.497 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.403 6.016 -3.018 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.232 6.528 -5.531 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.415 2.568 -3.973 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.942 5.698 -7.731 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -2.121 1.734 -6.173 1.00 0.00 H new ATOM 0 HZ PHE A 35 -2.394 3.298 -8.055 1.00 0.00 H new ATOM 497 N LEU A 36 1.370 3.110 -3.273 1.00 0.00 N ATOM 498 CA LEU A 36 2.086 1.957 -3.809 1.00 0.00 C ATOM 499 C LEU A 36 1.698 0.682 -3.067 1.00 0.00 C ATOM 500 O LEU A 36 1.149 0.735 -1.966 1.00 0.00 O ATOM 501 CB LEU A 36 3.596 2.179 -3.710 1.00 0.00 C ATOM 502 CG LEU A 36 4.152 2.399 -2.303 1.00 0.00 C ATOM 503 CD1 LEU A 36 4.226 1.082 -1.546 1.00 0.00 C ATOM 504 CD2 LEU A 36 5.522 3.058 -2.367 1.00 0.00 C ATOM 0 H LEU A 36 0.811 2.911 -2.443 1.00 0.00 H new ATOM 0 HA LEU A 36 1.810 1.844 -4.857 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.099 1.316 -4.147 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.857 3.043 -4.321 1.00 0.00 H new ATOM 0 HG LEU A 36 3.476 3.065 -1.766 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.624 1.259 -0.547 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.228 0.651 -1.468 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.879 0.392 -2.080 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.902 3.207 -1.356 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.208 2.418 -2.922 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.439 4.022 -2.869 1.00 0.00 H new ATOM 516 N VAL A 37 1.989 -0.463 -3.676 1.00 0.00 N ATOM 517 CA VAL A 37 1.673 -1.752 -3.072 1.00 0.00 C ATOM 518 C VAL A 37 2.912 -2.636 -2.987 1.00 0.00 C ATOM 519 O VAL A 37 3.741 -2.651 -3.897 1.00 0.00 O ATOM 520 CB VAL A 37 0.581 -2.492 -3.867 1.00 0.00 C ATOM 521 CG1 VAL A 37 0.148 -3.752 -3.134 1.00 0.00 C ATOM 522 CG2 VAL A 37 -0.607 -1.576 -4.120 1.00 0.00 C ATOM 0 H VAL A 37 2.443 -0.524 -4.587 1.00 0.00 H new ATOM 0 HA VAL A 37 1.305 -1.549 -2.066 1.00 0.00 H new ATOM 0 HB VAL A 37 0.995 -2.786 -4.832 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.624 -4.261 -3.711 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.005 -4.414 -3.011 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.248 -3.485 -2.154 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.369 -2.115 -4.683 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.023 -1.249 -3.167 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.281 -0.707 -4.691 1.00 0.00 H new ATOM 532 N ARG A 38 3.032 -3.373 -1.887 1.00 0.00 N ATOM 533 CA ARG A 38 4.170 -4.261 -1.682 1.00 0.00 C ATOM 534 C ARG A 38 3.743 -5.535 -0.959 1.00 0.00 C ATOM 535 O ARG A 38 3.038 -5.481 0.049 1.00 0.00 O ATOM 536 CB ARG A 38 5.261 -3.548 -0.881 1.00 0.00 C ATOM 537 CG ARG A 38 4.775 -2.986 0.444 1.00 0.00 C ATOM 538 CD ARG A 38 5.917 -2.831 1.436 1.00 0.00 C ATOM 539 NE ARG A 38 6.153 -4.057 2.195 1.00 0.00 N ATOM 540 CZ ARG A 38 6.928 -4.116 3.272 1.00 0.00 C ATOM 541 NH1 ARG A 38 7.538 -3.026 3.716 1.00 0.00 N ATOM 542 NH2 ARG A 38 7.093 -5.269 3.909 1.00 0.00 N ATOM 0 H ARG A 38 2.355 -3.372 -1.124 1.00 0.00 H new ATOM 0 HA ARG A 38 4.566 -4.535 -2.660 1.00 0.00 H new ATOM 0 HB2 ARG A 38 6.076 -4.246 -0.692 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.669 -2.736 -1.482 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.302 -2.018 0.278 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.015 -3.645 0.863 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.826 -2.555 0.902 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.691 -2.016 2.124 1.00 0.00 H new ATOM 0 HE ARG A 38 5.698 -4.914 1.881 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.413 -2.138 3.230 1.00 0.00 H new ATOM 0 HH12 ARG A 38 8.132 -3.075 4.543 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.625 -6.110 3.571 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.688 -5.314 4.736 1.00 0.00 H new ATOM 556 N ALA A 39 4.174 -6.678 -1.481 1.00 0.00 N ATOM 557 CA ALA A 39 3.837 -7.965 -0.885 1.00 0.00 C ATOM 558 C ALA A 39 4.317 -8.042 0.561 1.00 0.00 C ATOM 559 O ALA A 39 5.404 -7.569 0.890 1.00 0.00 O ATOM 560 CB ALA A 39 4.437 -9.099 -1.703 1.00 0.00 C ATOM 0 H ALA A 39 4.757 -6.739 -2.315 1.00 0.00 H new ATOM 0 HA ALA A 39 2.752 -8.066 -0.887 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.177 -10.054 -1.246 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.043 -9.063 -2.719 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.521 -8.993 -1.731 1.00 0.00 H new ATOM 566 N SER A 40 3.498 -8.641 1.420 1.00 0.00 N ATOM 567 CA SER A 40 3.837 -8.776 2.832 1.00 0.00 C ATOM 568 C SER A 40 4.743 -9.982 3.060 1.00 0.00 C ATOM 569 O SER A 40 4.480 -11.073 2.557 1.00 0.00 O ATOM 570 CB SER A 40 2.566 -8.912 3.672 1.00 0.00 C ATOM 571 OG SER A 40 2.878 -9.094 5.043 1.00 0.00 O ATOM 0 H SER A 40 2.595 -9.040 1.163 1.00 0.00 H new ATOM 0 HA SER A 40 4.373 -7.878 3.140 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.949 -8.021 3.551 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.978 -9.757 3.314 1.00 0.00 H new ATOM 0 HG SER A 40 2.049 -9.177 5.559 1.00 0.00 H new ATOM 657 N ALA A 46 -1.179 -12.107 2.095 1.00 0.00 N ATOM 658 CA ALA A 46 -1.441 -10.742 2.534 1.00 0.00 C ATOM 659 C ALA A 46 -0.655 -9.736 1.701 1.00 0.00 C ATOM 660 O ALA A 46 0.324 -10.090 1.044 1.00 0.00 O ATOM 661 CB ALA A 46 -1.102 -10.588 4.010 1.00 0.00 C ATOM 0 HA ALA A 46 -2.503 -10.539 2.393 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.302 -9.564 4.324 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.713 -11.274 4.597 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.048 -10.816 4.167 1.00 0.00 H new ATOM 667 N TYR A 47 -1.090 -8.482 1.731 1.00 0.00 N ATOM 668 CA TYR A 47 -0.428 -7.425 0.976 1.00 0.00 C ATOM 669 C TYR A 47 -0.345 -6.140 1.794 1.00 0.00 C ATOM 670 O TYR A 47 -0.732 -6.109 2.962 1.00 0.00 O ATOM 671 CB TYR A 47 -1.175 -7.161 -0.333 1.00 0.00 C ATOM 672 CG TYR A 47 -0.713 -8.032 -1.480 1.00 0.00 C ATOM 673 CD1 TYR A 47 0.335 -7.637 -2.301 1.00 0.00 C ATOM 674 CD2 TYR A 47 -1.325 -9.252 -1.740 1.00 0.00 C ATOM 675 CE1 TYR A 47 0.760 -8.429 -3.350 1.00 0.00 C ATOM 676 CE2 TYR A 47 -0.906 -10.052 -2.786 1.00 0.00 C ATOM 677 CZ TYR A 47 0.136 -9.636 -3.588 1.00 0.00 C ATOM 678 OH TYR A 47 0.557 -10.429 -4.631 1.00 0.00 O ATOM 0 H TYR A 47 -1.899 -8.172 2.270 1.00 0.00 H new ATOM 0 HA TYR A 47 0.586 -7.756 0.749 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.241 -7.322 -0.172 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.049 -6.114 -0.609 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.827 -6.693 -2.116 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.142 -9.581 -1.114 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.576 -8.105 -3.980 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.392 -10.998 -2.974 1.00 0.00 H new ATOM 0 HH TYR A 47 0.015 -11.245 -4.661 1.00 0.00 H new ATOM 688 N ALA A 48 0.162 -5.081 1.171 1.00 0.00 N ATOM 689 CA ALA A 48 0.294 -3.793 1.840 1.00 0.00 C ATOM 690 C ALA A 48 0.065 -2.642 0.865 1.00 0.00 C ATOM 691 O ALA A 48 0.682 -2.585 -0.200 1.00 0.00 O ATOM 692 CB ALA A 48 1.665 -3.672 2.488 1.00 0.00 C ATOM 0 H ALA A 48 0.488 -5.090 0.204 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.469 -3.735 2.616 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.749 -2.705 2.984 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.792 -4.468 3.222 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.437 -3.756 1.724 1.00 0.00 H new ATOM 698 N LEU A 49 -0.825 -1.729 1.234 1.00 0.00 N ATOM 699 CA LEU A 49 -1.136 -0.579 0.392 1.00 0.00 C ATOM 700 C LEU A 49 -0.713 0.722 1.067 1.00 0.00 C ATOM 701 O LEU A 49 -1.455 1.284 1.874 1.00 0.00 O ATOM 702 CB LEU A 49 -2.633 -0.541 0.079 1.00 0.00 C ATOM 703 CG LEU A 49 -3.150 0.741 -0.575 1.00 0.00 C ATOM 704 CD1 LEU A 49 -2.387 1.030 -1.858 1.00 0.00 C ATOM 705 CD2 LEU A 49 -4.643 0.633 -0.853 1.00 0.00 C ATOM 0 H LEU A 49 -1.345 -1.762 2.111 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.578 -0.681 -0.539 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.868 -1.380 -0.576 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.182 -0.698 1.007 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.988 1.569 0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.768 1.946 -2.310 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.328 1.151 -1.632 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.517 0.201 -2.553 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.994 1.554 -1.318 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.828 -0.206 -1.524 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.177 0.474 0.084 1.00 0.00 H new ATOM 717 N CYS A 50 0.481 1.195 0.730 1.00 0.00 N ATOM 718 CA CYS A 50 1.003 2.431 1.302 1.00 0.00 C ATOM 719 C CYS A 50 0.440 3.647 0.575 1.00 0.00 C ATOM 720 O CYS A 50 0.294 3.640 -0.648 1.00 0.00 O ATOM 721 CB CYS A 50 2.531 2.443 1.236 1.00 0.00 C ATOM 722 SG CYS A 50 3.321 1.104 2.158 1.00 0.00 S ATOM 0 H CYS A 50 1.106 0.742 0.064 1.00 0.00 H new ATOM 0 HA CYS A 50 0.692 2.479 2.346 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.839 2.382 0.192 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.893 3.397 1.620 1.00 0.00 H new ATOM 0 HG CYS A 50 4.484 1.498 2.584 1.00 0.00 H new ATOM 728 N VAL A 51 0.124 4.692 1.334 1.00 0.00 N ATOM 729 CA VAL A 51 -0.423 5.916 0.762 1.00 0.00 C ATOM 730 C VAL A 51 0.154 7.149 1.448 1.00 0.00 C ATOM 731 O VAL A 51 0.221 7.216 2.676 1.00 0.00 O ATOM 732 CB VAL A 51 -1.959 5.950 0.876 1.00 0.00 C ATOM 733 CG1 VAL A 51 -2.507 7.253 0.314 1.00 0.00 C ATOM 734 CG2 VAL A 51 -2.573 4.754 0.165 1.00 0.00 C ATOM 0 H VAL A 51 0.238 4.715 2.347 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.143 5.926 -0.291 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.229 5.894 1.931 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.593 7.259 0.403 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.092 8.093 0.872 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.228 7.342 -0.736 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.658 4.795 0.256 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.296 4.776 -0.889 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.205 3.833 0.618 1.00 0.00 H new ATOM 744 N LEU A 52 0.570 8.124 0.647 1.00 0.00 N ATOM 745 CA LEU A 52 1.142 9.357 1.176 1.00 0.00 C ATOM 746 C LEU A 52 0.091 10.461 1.241 1.00 0.00 C ATOM 747 O LEU A 52 -0.678 10.656 0.299 1.00 0.00 O ATOM 748 CB LEU A 52 2.320 9.809 0.310 1.00 0.00 C ATOM 749 CG LEU A 52 3.179 10.937 0.881 1.00 0.00 C ATOM 750 CD1 LEU A 52 3.906 10.473 2.133 1.00 0.00 C ATOM 751 CD2 LEU A 52 4.170 11.433 -0.161 1.00 0.00 C ATOM 0 H LEU A 52 0.522 8.084 -0.371 1.00 0.00 H new ATOM 0 HA LEU A 52 1.497 9.159 2.187 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.962 8.947 0.127 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.932 10.129 -0.657 1.00 0.00 H new ATOM 0 HG LEU A 52 2.524 11.765 1.152 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.512 11.289 2.525 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.178 10.168 2.885 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.550 9.628 1.888 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.773 12.236 0.263 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.820 10.612 -0.464 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.628 11.807 -1.030 1.00 0.00 H new ATOM 763 N TYR A 53 0.066 11.181 2.356 1.00 0.00 N ATOM 764 CA TYR A 53 -0.891 12.265 2.545 1.00 0.00 C ATOM 765 C TYR A 53 -0.404 13.242 3.611 1.00 0.00 C ATOM 766 O TYR A 53 0.073 12.835 4.670 1.00 0.00 O ATOM 767 CB TYR A 53 -2.259 11.704 2.937 1.00 0.00 C ATOM 768 CG TYR A 53 -3.295 12.771 3.208 1.00 0.00 C ATOM 769 CD1 TYR A 53 -3.668 13.672 2.218 1.00 0.00 C ATOM 770 CD2 TYR A 53 -3.901 12.879 4.453 1.00 0.00 C ATOM 771 CE1 TYR A 53 -4.615 14.649 2.461 1.00 0.00 C ATOM 772 CE2 TYR A 53 -4.849 13.851 4.705 1.00 0.00 C ATOM 773 CZ TYR A 53 -5.203 14.734 3.706 1.00 0.00 C ATOM 774 OH TYR A 53 -6.145 15.705 3.953 1.00 0.00 O ATOM 0 H TYR A 53 0.698 11.034 3.143 1.00 0.00 H new ATOM 0 HA TYR A 53 -0.984 12.802 1.601 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.618 11.055 2.139 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.147 11.084 3.826 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.210 13.608 1.242 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.626 12.190 5.238 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.893 15.342 1.681 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -5.311 13.920 5.679 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.461 15.627 4.877 1.00 0.00 H new ATOM 784 N ARG A 54 -0.530 14.533 3.322 1.00 0.00 N ATOM 785 CA ARG A 54 -0.103 15.569 4.255 1.00 0.00 C ATOM 786 C ARG A 54 1.207 15.183 4.934 1.00 0.00 C ATOM 787 O ARG A 54 1.436 15.513 6.097 1.00 0.00 O ATOM 788 CB ARG A 54 -1.184 15.813 5.309 1.00 0.00 C ATOM 789 CG ARG A 54 -2.531 16.201 4.722 1.00 0.00 C ATOM 790 CD ARG A 54 -2.416 17.419 3.819 1.00 0.00 C ATOM 791 NE ARG A 54 -3.649 18.200 3.793 1.00 0.00 N ATOM 792 CZ ARG A 54 -3.751 19.395 3.221 1.00 0.00 C ATOM 793 NH1 ARG A 54 -2.698 19.942 2.631 1.00 0.00 N ATOM 794 NH2 ARG A 54 -4.908 20.043 3.238 1.00 0.00 N ATOM 0 H ARG A 54 -0.924 14.886 2.450 1.00 0.00 H new ATOM 0 HA ARG A 54 0.058 16.487 3.690 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.305 14.911 5.909 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.850 16.602 5.983 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.937 15.363 4.155 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.234 16.410 5.529 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.595 18.049 4.163 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.169 17.098 2.807 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.478 17.807 4.239 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.807 19.446 2.615 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.778 20.859 2.192 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.721 19.624 3.690 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.985 20.960 2.799 1.00 0.00 H new ATOM 808 N ASN A 55 2.064 14.481 4.200 1.00 0.00 N ATOM 809 CA ASN A 55 3.351 14.048 4.732 1.00 0.00 C ATOM 810 C ASN A 55 3.171 12.919 5.743 1.00 0.00 C ATOM 811 O ASN A 55 3.722 12.964 6.843 1.00 0.00 O ATOM 812 CB ASN A 55 4.077 15.224 5.389 1.00 0.00 C ATOM 813 CG ASN A 55 4.003 16.488 4.554 1.00 0.00 C ATOM 814 OD1 ASN A 55 3.401 17.481 4.962 1.00 0.00 O ATOM 815 ND2 ASN A 55 4.617 16.456 3.377 1.00 0.00 N ATOM 0 H ASN A 55 1.891 14.200 3.235 1.00 0.00 H new ATOM 0 HA ASN A 55 3.952 13.676 3.902 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.642 15.414 6.370 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.122 14.959 5.550 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.601 17.276 2.771 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.104 15.611 3.079 1.00 0.00 H new ATOM 822 N CYS A 56 2.397 11.910 5.361 1.00 0.00 N ATOM 823 CA CYS A 56 2.143 10.769 6.233 1.00 0.00 C ATOM 824 C CYS A 56 1.955 9.493 5.419 1.00 0.00 C ATOM 825 O CYS A 56 1.253 9.486 4.408 1.00 0.00 O ATOM 826 CB CYS A 56 0.906 11.024 7.095 1.00 0.00 C ATOM 827 SG CYS A 56 1.118 12.338 8.320 1.00 0.00 S ATOM 0 H CYS A 56 1.934 11.859 4.453 1.00 0.00 H new ATOM 0 HA CYS A 56 3.009 10.640 6.882 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.070 11.280 6.445 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.639 10.101 7.610 1.00 0.00 H new ATOM 0 HG CYS A 56 2.248 12.946 8.113 1.00 0.00 H new ATOM 833 N VAL A 57 2.589 8.413 5.866 1.00 0.00 N ATOM 834 CA VAL A 57 2.493 7.131 5.178 1.00 0.00 C ATOM 835 C VAL A 57 1.496 6.209 5.872 1.00 0.00 C ATOM 836 O VAL A 57 1.695 5.815 7.022 1.00 0.00 O ATOM 837 CB VAL A 57 3.862 6.428 5.107 1.00 0.00 C ATOM 838 CG1 VAL A 57 3.718 5.039 4.504 1.00 0.00 C ATOM 839 CG2 VAL A 57 4.849 7.265 4.308 1.00 0.00 C ATOM 0 H VAL A 57 3.174 8.401 6.701 1.00 0.00 H new ATOM 0 HA VAL A 57 2.147 7.340 4.166 1.00 0.00 H new ATOM 0 HB VAL A 57 4.249 6.320 6.120 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.695 4.558 4.462 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.046 4.442 5.121 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.310 5.120 3.497 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.811 6.754 4.268 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.470 7.406 3.296 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.974 8.236 4.787 1.00 0.00 H new ATOM 849 N TYR A 58 0.424 5.868 5.166 1.00 0.00 N ATOM 850 CA TYR A 58 -0.606 4.994 5.715 1.00 0.00 C ATOM 851 C TYR A 58 -0.511 3.595 5.112 1.00 0.00 C ATOM 852 O TYR A 58 -0.858 3.381 3.950 1.00 0.00 O ATOM 853 CB TYR A 58 -1.994 5.580 5.454 1.00 0.00 C ATOM 854 CG TYR A 58 -2.199 6.947 6.067 1.00 0.00 C ATOM 855 CD1 TYR A 58 -1.651 8.082 5.480 1.00 0.00 C ATOM 856 CD2 TYR A 58 -2.939 7.104 7.232 1.00 0.00 C ATOM 857 CE1 TYR A 58 -1.835 9.333 6.037 1.00 0.00 C ATOM 858 CE2 TYR A 58 -3.129 8.352 7.795 1.00 0.00 C ATOM 859 CZ TYR A 58 -2.575 9.463 7.193 1.00 0.00 C ATOM 860 OH TYR A 58 -2.761 10.707 7.752 1.00 0.00 O ATOM 0 H TYR A 58 0.245 6.183 4.213 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.447 4.919 6.791 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -2.155 5.646 4.378 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.747 4.898 5.848 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -1.072 7.984 4.574 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -3.373 6.236 7.706 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -1.401 10.205 5.569 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -3.708 8.457 8.701 1.00 0.00 H new ATOM 0 HH TYR A 58 -3.306 10.623 8.562 1.00 0.00 H new ATOM 870 N THR A 59 -0.038 2.644 5.911 1.00 0.00 N ATOM 871 CA THR A 59 0.104 1.266 5.459 1.00 0.00 C ATOM 872 C THR A 59 -1.168 0.468 5.719 1.00 0.00 C ATOM 873 O THR A 59 -1.511 0.184 6.867 1.00 0.00 O ATOM 874 CB THR A 59 1.287 0.566 6.155 1.00 0.00 C ATOM 875 OG1 THR A 59 2.475 1.351 6.010 1.00 0.00 O ATOM 876 CG2 THR A 59 1.514 -0.820 5.571 1.00 0.00 C ATOM 0 H THR A 59 0.253 2.803 6.875 1.00 0.00 H new ATOM 0 HA THR A 59 0.293 1.303 4.386 1.00 0.00 H new ATOM 0 HB THR A 59 1.048 0.463 7.213 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.249 0.832 6.313 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.354 -1.295 6.078 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.618 -1.424 5.710 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.733 -0.735 4.507 1.00 0.00 H new ATOM 884 N TYR A 60 -1.864 0.109 4.646 1.00 0.00 N ATOM 885 CA TYR A 60 -3.101 -0.656 4.758 1.00 0.00 C ATOM 886 C TYR A 60 -2.913 -2.076 4.233 1.00 0.00 C ATOM 887 O TYR A 60 -2.990 -2.319 3.029 1.00 0.00 O ATOM 888 CB TYR A 60 -4.226 0.040 3.990 1.00 0.00 C ATOM 889 CG TYR A 60 -4.650 1.358 4.598 1.00 0.00 C ATOM 890 CD1 TYR A 60 -5.491 1.398 5.703 1.00 0.00 C ATOM 891 CD2 TYR A 60 -4.208 2.564 4.067 1.00 0.00 C ATOM 892 CE1 TYR A 60 -5.880 2.600 6.261 1.00 0.00 C ATOM 893 CE2 TYR A 60 -4.591 3.770 4.620 1.00 0.00 C ATOM 894 CZ TYR A 60 -5.428 3.783 5.716 1.00 0.00 C ATOM 895 OH TYR A 60 -5.813 4.983 6.270 1.00 0.00 O ATOM 0 H TYR A 60 -1.593 0.335 3.689 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.370 -0.712 5.813 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -3.902 0.211 2.963 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.089 -0.624 3.946 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -5.847 0.473 6.133 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.554 2.558 3.208 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.535 2.613 7.120 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.237 4.698 4.196 1.00 0.00 H new ATOM 0 HH TYR A 60 -5.018 5.511 6.492 1.00 0.00 H new ATOM 905 N ARG A 61 -2.668 -3.010 5.146 1.00 0.00 N ATOM 906 CA ARG A 61 -2.468 -4.406 4.776 1.00 0.00 C ATOM 907 C ARG A 61 -3.760 -5.016 4.241 1.00 0.00 C ATOM 908 O ARG A 61 -4.850 -4.498 4.485 1.00 0.00 O ATOM 909 CB ARG A 61 -1.973 -5.209 5.980 1.00 0.00 C ATOM 910 CG ARG A 61 -3.071 -5.566 6.968 1.00 0.00 C ATOM 911 CD ARG A 61 -3.408 -4.393 7.875 1.00 0.00 C ATOM 912 NE ARG A 61 -2.213 -3.803 8.473 1.00 0.00 N ATOM 913 CZ ARG A 61 -1.503 -4.390 9.430 1.00 0.00 C ATOM 914 NH1 ARG A 61 -1.866 -5.578 9.895 1.00 0.00 N ATOM 915 NH2 ARG A 61 -0.428 -3.790 9.924 1.00 0.00 N ATOM 0 H ARG A 61 -2.603 -2.825 6.147 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.715 -4.443 3.989 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.503 -6.126 5.626 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.204 -4.635 6.497 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.964 -5.875 6.425 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.755 -6.416 7.573 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.940 -3.633 7.302 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.081 -4.727 8.664 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.907 -2.890 8.137 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.692 -6.043 9.518 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -1.319 -6.027 10.630 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.145 -2.876 9.569 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.116 -4.242 10.659 1.00 0.00 H new ATOM 929 N ILE A 62 -3.630 -6.119 3.511 1.00 0.00 N ATOM 930 CA ILE A 62 -4.786 -6.799 2.942 1.00 0.00 C ATOM 931 C ILE A 62 -4.805 -8.273 3.334 1.00 0.00 C ATOM 932 O ILE A 62 -4.130 -9.099 2.719 1.00 0.00 O ATOM 933 CB ILE A 62 -4.806 -6.688 1.407 1.00 0.00 C ATOM 934 CG1 ILE A 62 -4.906 -5.222 0.981 1.00 0.00 C ATOM 935 CG2 ILE A 62 -5.963 -7.492 0.832 1.00 0.00 C ATOM 936 CD1 ILE A 62 -3.562 -4.543 0.833 1.00 0.00 C ATOM 0 H ILE A 62 -2.735 -6.560 3.300 1.00 0.00 H new ATOM 0 HA ILE A 62 -5.671 -6.306 3.345 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.875 -7.098 1.016 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.440 -5.163 0.033 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.500 -4.678 1.716 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.963 -7.403 -0.254 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.852 -8.540 1.110 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -6.904 -7.109 1.228 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.709 -3.507 0.529 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.034 -4.570 1.786 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.973 -5.062 0.077 1.00 0.00 H new ATOM 948 N LEU A 63 -5.583 -8.596 4.361 1.00 0.00 N ATOM 949 CA LEU A 63 -5.691 -9.972 4.835 1.00 0.00 C ATOM 950 C LEU A 63 -6.511 -10.818 3.867 1.00 0.00 C ATOM 951 O LEU A 63 -7.509 -10.370 3.303 1.00 0.00 O ATOM 952 CB LEU A 63 -6.330 -10.004 6.225 1.00 0.00 C ATOM 953 CG LEU A 63 -5.546 -9.313 7.341 1.00 0.00 C ATOM 954 CD1 LEU A 63 -4.244 -10.050 7.614 1.00 0.00 C ATOM 955 CD2 LEU A 63 -5.272 -7.860 6.979 1.00 0.00 C ATOM 0 H LEU A 63 -6.148 -7.925 4.881 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.686 -10.391 4.893 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.315 -9.542 6.161 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.484 -11.045 6.508 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.149 -9.334 8.249 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.700 -9.544 8.411 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.462 -11.074 7.917 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.636 -10.061 6.710 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.713 -7.384 7.784 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.689 -7.818 6.059 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.217 -7.337 6.834 1.00 0.00 H new ATOM 967 N PRO A 64 -6.082 -12.074 3.669 1.00 0.00 N ATOM 968 CA PRO A 64 -6.763 -13.011 2.771 1.00 0.00 C ATOM 969 C PRO A 64 -8.118 -13.454 3.314 1.00 0.00 C ATOM 970 O PRO A 64 -8.323 -13.509 4.526 1.00 0.00 O ATOM 971 CB PRO A 64 -5.801 -14.199 2.701 1.00 0.00 C ATOM 972 CG PRO A 64 -5.028 -14.136 3.974 1.00 0.00 C ATOM 973 CD PRO A 64 -4.900 -12.676 4.309 1.00 0.00 C ATOM 0 HA PRO A 64 -6.978 -12.562 1.801 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.341 -15.141 2.612 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.144 -14.126 1.835 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.542 -14.675 4.770 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.047 -14.597 3.858 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.898 -12.510 5.386 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.974 -12.254 3.919 1.00 0.00 H new ATOM 981 N ASN A 65 -9.038 -13.770 2.410 1.00 0.00 N ATOM 982 CA ASN A 65 -10.374 -14.209 2.799 1.00 0.00 C ATOM 983 C ASN A 65 -10.627 -15.645 2.351 1.00 0.00 C ATOM 984 O ASN A 65 -9.794 -16.250 1.677 1.00 0.00 O ATOM 985 CB ASN A 65 -11.433 -13.281 2.199 1.00 0.00 C ATOM 986 CG ASN A 65 -11.106 -11.816 2.412 1.00 0.00 C ATOM 987 OD1 ASN A 65 -11.002 -11.047 1.457 1.00 0.00 O ATOM 988 ND2 ASN A 65 -10.941 -11.423 3.670 1.00 0.00 N ATOM 0 H ASN A 65 -8.884 -13.731 1.402 1.00 0.00 H new ATOM 0 HA ASN A 65 -10.440 -14.170 3.886 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -11.522 -13.479 1.131 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -12.402 -13.503 2.646 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -10.719 -10.449 3.875 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -11.037 -12.095 4.431 1.00 0.00 H new ATOM 995 N GLU A 66 -11.782 -16.183 2.730 1.00 0.00 N ATOM 996 CA GLU A 66 -12.144 -17.548 2.367 1.00 0.00 C ATOM 997 C GLU A 66 -11.859 -17.812 0.892 1.00 0.00 C ATOM 998 O GLU A 66 -11.369 -18.881 0.525 1.00 0.00 O ATOM 999 CB GLU A 66 -13.622 -17.804 2.666 1.00 0.00 C ATOM 1000 CG GLU A 66 -14.564 -16.871 1.923 1.00 0.00 C ATOM 1001 CD GLU A 66 -15.953 -16.839 2.530 1.00 0.00 C ATOM 1002 OE1 GLU A 66 -16.674 -17.852 2.418 1.00 0.00 O ATOM 1003 OE2 GLU A 66 -16.319 -15.799 3.118 1.00 0.00 O ATOM 0 H GLU A 66 -12.483 -15.695 3.288 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.537 -18.229 2.964 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -13.864 -18.834 2.405 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -13.791 -17.699 3.738 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.148 -15.864 1.925 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.634 -17.185 0.882 1.00 0.00 H new ATOM 1010 N ASP A 67 -12.169 -16.832 0.051 1.00 0.00 N ATOM 1011 CA ASP A 67 -11.946 -16.957 -1.385 1.00 0.00 C ATOM 1012 C ASP A 67 -10.637 -16.287 -1.792 1.00 0.00 C ATOM 1013 O ASP A 67 -10.547 -15.676 -2.857 1.00 0.00 O ATOM 1014 CB ASP A 67 -13.112 -16.341 -2.159 1.00 0.00 C ATOM 1015 CG ASP A 67 -14.442 -16.978 -1.807 1.00 0.00 C ATOM 1016 OD1 ASP A 67 -14.667 -18.139 -2.206 1.00 0.00 O ATOM 1017 OD2 ASP A 67 -15.258 -16.314 -1.134 1.00 0.00 O ATOM 0 H ASP A 67 -12.576 -15.942 0.339 1.00 0.00 H new ATOM 0 HA ASP A 67 -11.880 -18.018 -1.627 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -13.158 -15.272 -1.951 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -12.932 -16.450 -3.229 1.00 0.00 H new ATOM 1022 N ASP A 68 -9.627 -16.406 -0.938 1.00 0.00 N ATOM 1023 CA ASP A 68 -8.323 -15.812 -1.209 1.00 0.00 C ATOM 1024 C ASP A 68 -8.476 -14.423 -1.823 1.00 0.00 C ATOM 1025 O ASP A 68 -7.720 -14.041 -2.717 1.00 0.00 O ATOM 1026 CB ASP A 68 -7.514 -16.710 -2.145 1.00 0.00 C ATOM 1027 CG ASP A 68 -7.337 -18.111 -1.593 1.00 0.00 C ATOM 1028 OD1 ASP A 68 -8.295 -18.635 -0.987 1.00 0.00 O ATOM 1029 OD2 ASP A 68 -6.241 -18.684 -1.767 1.00 0.00 O ATOM 0 H ASP A 68 -9.686 -16.908 -0.052 1.00 0.00 H new ATOM 0 HA ASP A 68 -7.792 -15.715 -0.262 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.013 -16.764 -3.113 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.534 -16.263 -2.316 1.00 0.00 H new ATOM 1034 N LYS A 69 -9.458 -13.672 -1.337 1.00 0.00 N ATOM 1035 CA LYS A 69 -9.711 -12.326 -1.836 1.00 0.00 C ATOM 1036 C LYS A 69 -8.766 -11.319 -1.188 1.00 0.00 C ATOM 1037 O LYS A 69 -8.130 -11.612 -0.176 1.00 0.00 O ATOM 1038 CB LYS A 69 -11.163 -11.924 -1.569 1.00 0.00 C ATOM 1039 CG LYS A 69 -12.176 -12.772 -2.318 1.00 0.00 C ATOM 1040 CD LYS A 69 -12.399 -12.257 -3.730 1.00 0.00 C ATOM 1041 CE LYS A 69 -12.944 -13.346 -4.641 1.00 0.00 C ATOM 1042 NZ LYS A 69 -11.921 -14.389 -4.932 1.00 0.00 N ATOM 0 H LYS A 69 -10.092 -13.973 -0.597 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.533 -12.325 -2.911 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -11.361 -11.997 -0.500 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -11.299 -10.879 -1.848 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.830 -13.805 -2.357 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.122 -12.773 -1.777 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -13.095 -11.418 -3.707 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.459 -11.880 -4.134 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.813 -13.810 -4.173 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -13.285 -12.901 -5.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.309 -15.076 -5.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.075 -13.942 -5.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.664 -14.878 -4.051 1.00 0.00 H new ATOM 1056 N PHE A 70 -8.681 -10.130 -1.776 1.00 0.00 N ATOM 1057 CA PHE A 70 -7.815 -9.079 -1.255 1.00 0.00 C ATOM 1058 C PHE A 70 -8.636 -7.889 -0.768 1.00 0.00 C ATOM 1059 O PHE A 70 -8.831 -6.915 -1.496 1.00 0.00 O ATOM 1060 CB PHE A 70 -6.825 -8.625 -2.330 1.00 0.00 C ATOM 1061 CG PHE A 70 -6.058 -9.755 -2.955 1.00 0.00 C ATOM 1062 CD1 PHE A 70 -5.383 -10.672 -2.165 1.00 0.00 C ATOM 1063 CD2 PHE A 70 -6.013 -9.902 -4.332 1.00 0.00 C ATOM 1064 CE1 PHE A 70 -4.676 -11.712 -2.737 1.00 0.00 C ATOM 1065 CE2 PHE A 70 -5.308 -10.941 -4.910 1.00 0.00 C ATOM 1066 CZ PHE A 70 -4.639 -11.848 -4.111 1.00 0.00 C ATOM 0 H PHE A 70 -9.202 -9.870 -2.614 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.261 -9.486 -0.409 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.368 -8.090 -3.109 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.121 -7.919 -1.889 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.410 -10.572 -1.090 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.535 -9.196 -4.961 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.152 -12.418 -2.110 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.280 -11.044 -5.985 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.088 -12.662 -4.560 1.00 0.00 H new ATOM 1076 N THR A 71 -9.116 -7.975 0.469 1.00 0.00 N ATOM 1077 CA THR A 71 -9.917 -6.907 1.053 1.00 0.00 C ATOM 1078 C THR A 71 -9.146 -6.176 2.146 1.00 0.00 C ATOM 1079 O THR A 71 -8.488 -6.800 2.979 1.00 0.00 O ATOM 1080 CB THR A 71 -11.232 -7.451 1.644 1.00 0.00 C ATOM 1081 OG1 THR A 71 -12.009 -6.375 2.182 1.00 0.00 O ATOM 1082 CG2 THR A 71 -10.953 -8.476 2.733 1.00 0.00 C ATOM 0 H THR A 71 -8.964 -8.773 1.085 1.00 0.00 H new ATOM 0 HA THR A 71 -10.149 -6.210 0.248 1.00 0.00 H new ATOM 0 HB THR A 71 -11.790 -7.937 0.844 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.948 -6.488 1.924 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.896 -8.846 3.135 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.387 -9.308 2.314 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.376 -8.010 3.532 1.00 0.00 H new ATOM 1090 N VAL A 72 -9.231 -4.850 2.139 1.00 0.00 N ATOM 1091 CA VAL A 72 -8.543 -4.034 3.132 1.00 0.00 C ATOM 1092 C VAL A 72 -9.256 -4.088 4.478 1.00 0.00 C ATOM 1093 O VAL A 72 -10.481 -4.185 4.538 1.00 0.00 O ATOM 1094 CB VAL A 72 -8.439 -2.566 2.677 1.00 0.00 C ATOM 1095 CG1 VAL A 72 -7.622 -1.755 3.672 1.00 0.00 C ATOM 1096 CG2 VAL A 72 -7.833 -2.482 1.284 1.00 0.00 C ATOM 0 H VAL A 72 -9.770 -4.317 1.456 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.539 -4.446 3.239 1.00 0.00 H new ATOM 0 HB VAL A 72 -9.443 -2.144 2.638 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.559 -0.721 3.334 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.102 -1.789 4.650 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.618 -2.174 3.746 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -7.767 -1.438 0.978 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.835 -2.921 1.294 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.462 -3.027 0.580 1.00 0.00 H new ATOM 1106 N GLN A 73 -8.480 -4.024 5.555 1.00 0.00 N ATOM 1107 CA GLN A 73 -9.038 -4.066 6.902 1.00 0.00 C ATOM 1108 C GLN A 73 -9.356 -2.661 7.403 1.00 0.00 C ATOM 1109 O GLN A 73 -9.015 -2.302 8.530 1.00 0.00 O ATOM 1110 CB GLN A 73 -8.063 -4.754 7.859 1.00 0.00 C ATOM 1111 CG GLN A 73 -8.746 -5.454 9.023 1.00 0.00 C ATOM 1112 CD GLN A 73 -7.815 -5.675 10.199 1.00 0.00 C ATOM 1113 OE1 GLN A 73 -6.593 -5.672 10.047 1.00 0.00 O ATOM 1114 NE2 GLN A 73 -8.389 -5.868 11.381 1.00 0.00 N ATOM 0 H GLN A 73 -7.464 -3.943 5.521 1.00 0.00 H new ATOM 0 HA GLN A 73 -9.965 -4.638 6.867 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -7.474 -5.483 7.302 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -7.366 -4.013 8.250 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -9.601 -4.861 9.348 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -9.135 -6.415 8.687 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -9.406 -5.862 11.461 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -7.813 -6.022 12.209 1.00 0.00 H new ATOM 1123 N ALA A 74 -10.010 -1.870 6.559 1.00 0.00 N ATOM 1124 CA ALA A 74 -10.375 -0.506 6.917 1.00 0.00 C ATOM 1125 C ALA A 74 -11.599 -0.485 7.826 1.00 0.00 C ATOM 1126 O ALA A 74 -11.811 0.468 8.576 1.00 0.00 O ATOM 1127 CB ALA A 74 -10.632 0.318 5.664 1.00 0.00 C ATOM 0 H ALA A 74 -10.298 -2.151 5.622 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.541 -0.065 7.464 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.904 1.335 5.947 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.730 0.340 5.052 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.446 -0.130 5.095 1.00 0.00 H new ATOM 1210 N ARG A 81 -16.597 -6.111 1.529 1.00 0.00 N ATOM 1211 CA ARG A 81 -16.263 -6.195 0.112 1.00 0.00 C ATOM 1212 C ARG A 81 -15.119 -7.179 -0.119 1.00 0.00 C ATOM 1213 O ARG A 81 -14.477 -7.634 0.828 1.00 0.00 O ATOM 1214 CB ARG A 81 -15.879 -4.815 -0.425 1.00 0.00 C ATOM 1215 CG ARG A 81 -17.066 -4.000 -0.912 1.00 0.00 C ATOM 1216 CD ARG A 81 -16.619 -2.792 -1.720 1.00 0.00 C ATOM 1217 NE ARG A 81 -15.857 -1.844 -0.911 1.00 0.00 N ATOM 1218 CZ ARG A 81 -16.417 -0.947 -0.107 1.00 0.00 C ATOM 1219 NH1 ARG A 81 -17.737 -0.876 -0.006 1.00 0.00 N ATOM 1220 NH2 ARG A 81 -15.656 -0.119 0.597 1.00 0.00 N ATOM 0 HA ARG A 81 -17.142 -6.554 -0.423 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -15.365 -4.259 0.359 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.172 -4.937 -1.245 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -17.714 -4.628 -1.523 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -17.657 -3.669 -0.058 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -16.009 -3.124 -2.560 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -17.493 -2.292 -2.138 1.00 0.00 H new ATOM 0 HE ARG A 81 -14.839 -1.872 -0.967 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -18.325 -1.511 -0.546 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -18.165 -0.186 0.612 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -14.640 -0.171 0.521 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -16.087 0.569 1.214 1.00 0.00 H new ATOM 1234 N PHE A 82 -14.871 -7.503 -1.383 1.00 0.00 N ATOM 1235 CA PHE A 82 -13.806 -8.434 -1.739 1.00 0.00 C ATOM 1236 C PHE A 82 -13.409 -8.272 -3.204 1.00 0.00 C ATOM 1237 O PHE A 82 -14.240 -7.946 -4.051 1.00 0.00 O ATOM 1238 CB PHE A 82 -14.250 -9.874 -1.475 1.00 0.00 C ATOM 1239 CG PHE A 82 -14.702 -10.113 -0.063 1.00 0.00 C ATOM 1240 CD1 PHE A 82 -13.794 -10.090 0.983 1.00 0.00 C ATOM 1241 CD2 PHE A 82 -16.036 -10.361 0.218 1.00 0.00 C ATOM 1242 CE1 PHE A 82 -14.207 -10.309 2.283 1.00 0.00 C ATOM 1243 CE2 PHE A 82 -16.455 -10.581 1.517 1.00 0.00 C ATOM 1244 CZ PHE A 82 -15.539 -10.556 2.550 1.00 0.00 C ATOM 0 H PHE A 82 -15.393 -7.135 -2.178 1.00 0.00 H new ATOM 0 HA PHE A 82 -12.938 -8.209 -1.119 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -15.063 -10.125 -2.156 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -13.424 -10.548 -1.703 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -12.751 -9.899 0.780 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -16.756 -10.383 -0.586 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -13.489 -10.287 3.089 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -17.498 -10.772 1.724 1.00 0.00 H new ATOM 0 HZ PHE A 82 -15.864 -10.729 3.565 1.00 0.00 H new ATOM 1254 N PHE A 83 -12.133 -8.501 -3.493 1.00 0.00 N ATOM 1255 CA PHE A 83 -11.624 -8.380 -4.855 1.00 0.00 C ATOM 1256 C PHE A 83 -10.687 -9.536 -5.190 1.00 0.00 C ATOM 1257 O PHE A 83 -9.739 -9.817 -4.455 1.00 0.00 O ATOM 1258 CB PHE A 83 -10.892 -7.048 -5.031 1.00 0.00 C ATOM 1259 CG PHE A 83 -11.659 -5.868 -4.504 1.00 0.00 C ATOM 1260 CD1 PHE A 83 -11.901 -5.733 -3.147 1.00 0.00 C ATOM 1261 CD2 PHE A 83 -12.137 -4.895 -5.366 1.00 0.00 C ATOM 1262 CE1 PHE A 83 -12.605 -4.649 -2.658 1.00 0.00 C ATOM 1263 CE2 PHE A 83 -12.842 -3.809 -4.884 1.00 0.00 C ATOM 1264 CZ PHE A 83 -13.078 -3.686 -3.528 1.00 0.00 C ATOM 0 H PHE A 83 -11.432 -8.771 -2.803 1.00 0.00 H new ATOM 0 HA PHE A 83 -12.473 -8.414 -5.538 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -9.929 -7.102 -4.523 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -10.685 -6.893 -6.090 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -11.535 -6.484 -2.463 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -11.957 -4.986 -6.427 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -12.785 -4.555 -1.597 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -13.208 -3.057 -5.567 1.00 0.00 H new ATOM 0 HZ PHE A 83 -13.631 -2.839 -3.149 1.00 0.00 H new ATOM 1274 N THR A 84 -10.958 -10.205 -6.306 1.00 0.00 N ATOM 1275 CA THR A 84 -10.141 -11.332 -6.740 1.00 0.00 C ATOM 1276 C THR A 84 -8.813 -10.858 -7.319 1.00 0.00 C ATOM 1277 O THR A 84 -7.783 -11.511 -7.152 1.00 0.00 O ATOM 1278 CB THR A 84 -10.874 -12.184 -7.794 1.00 0.00 C ATOM 1279 OG1 THR A 84 -9.962 -13.110 -8.394 1.00 0.00 O ATOM 1280 CG2 THR A 84 -11.490 -11.302 -8.869 1.00 0.00 C ATOM 0 H THR A 84 -11.737 -9.986 -6.926 1.00 0.00 H new ATOM 0 HA THR A 84 -9.951 -11.943 -5.858 1.00 0.00 H new ATOM 0 HB THR A 84 -11.673 -12.733 -7.295 1.00 0.00 H new ATOM 0 HG1 THR A 84 -10.435 -13.649 -9.062 1.00 0.00 H new ATOM 0 HG21 THR A 84 -12.002 -11.926 -9.602 1.00 0.00 H new ATOM 0 HG22 THR A 84 -12.205 -10.617 -8.412 1.00 0.00 H new ATOM 0 HG23 THR A 84 -10.705 -10.730 -9.364 1.00 0.00 H new ATOM 1288 N LYS A 85 -8.844 -9.718 -8.001 1.00 0.00 N ATOM 1289 CA LYS A 85 -7.642 -9.155 -8.605 1.00 0.00 C ATOM 1290 C LYS A 85 -7.130 -7.970 -7.792 1.00 0.00 C ATOM 1291 O LYS A 85 -7.894 -7.071 -7.438 1.00 0.00 O ATOM 1292 CB LYS A 85 -7.927 -8.716 -10.043 1.00 0.00 C ATOM 1293 CG LYS A 85 -9.002 -9.541 -10.729 1.00 0.00 C ATOM 1294 CD LYS A 85 -8.562 -10.983 -10.919 1.00 0.00 C ATOM 1295 CE LYS A 85 -7.592 -11.122 -12.082 1.00 0.00 C ATOM 1296 NZ LYS A 85 -6.942 -12.461 -12.105 1.00 0.00 N ATOM 0 H LYS A 85 -9.689 -9.166 -8.149 1.00 0.00 H new ATOM 0 HA LYS A 85 -6.873 -9.927 -8.613 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.230 -7.669 -10.041 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -7.006 -8.780 -10.623 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -9.916 -9.514 -10.136 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -9.237 -9.101 -11.698 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.090 -11.344 -10.005 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.436 -11.611 -11.096 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.124 -10.960 -13.020 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.827 -10.348 -12.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -6.288 -12.516 -12.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -6.413 -12.606 -11.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.669 -13.198 -12.198 1.00 0.00 H new ATOM 1310 N LEU A 86 -5.834 -7.974 -7.502 1.00 0.00 N ATOM 1311 CA LEU A 86 -5.219 -6.898 -6.732 1.00 0.00 C ATOM 1312 C LEU A 86 -5.423 -5.551 -7.419 1.00 0.00 C ATOM 1313 O LEU A 86 -5.361 -4.501 -6.780 1.00 0.00 O ATOM 1314 CB LEU A 86 -3.724 -7.167 -6.546 1.00 0.00 C ATOM 1315 CG LEU A 86 -3.097 -6.614 -5.266 1.00 0.00 C ATOM 1316 CD1 LEU A 86 -3.171 -5.095 -5.248 1.00 0.00 C ATOM 1317 CD2 LEU A 86 -3.785 -7.197 -4.040 1.00 0.00 C ATOM 0 H LEU A 86 -5.188 -8.710 -7.788 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.700 -6.863 -5.755 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.564 -8.245 -6.569 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.191 -6.747 -7.399 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.047 -6.907 -5.243 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.720 -4.720 -4.329 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.633 -4.694 -6.107 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.214 -4.781 -5.295 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.326 -6.792 -3.138 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.843 -6.935 -4.057 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.680 -8.282 -4.045 1.00 0.00 H new ATOM 1329 N ASP A 87 -5.669 -5.590 -8.724 1.00 0.00 N ATOM 1330 CA ASP A 87 -5.887 -4.373 -9.498 1.00 0.00 C ATOM 1331 C ASP A 87 -7.302 -3.844 -9.291 1.00 0.00 C ATOM 1332 O ASP A 87 -7.494 -2.683 -8.930 1.00 0.00 O ATOM 1333 CB ASP A 87 -5.639 -4.637 -10.984 1.00 0.00 C ATOM 1334 CG ASP A 87 -6.877 -5.149 -11.695 1.00 0.00 C ATOM 1335 OD1 ASP A 87 -7.112 -6.375 -11.668 1.00 0.00 O ATOM 1336 OD2 ASP A 87 -7.610 -4.323 -12.277 1.00 0.00 O ATOM 0 H ASP A 87 -5.722 -6.451 -9.268 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.182 -3.618 -9.149 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.303 -3.717 -11.462 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.835 -5.365 -11.092 1.00 0.00 H new ATOM 1341 N GLN A 88 -8.290 -4.702 -9.525 1.00 0.00 N ATOM 1342 CA GLN A 88 -9.688 -4.319 -9.366 1.00 0.00 C ATOM 1343 C GLN A 88 -9.908 -3.601 -8.039 1.00 0.00 C ATOM 1344 O GLN A 88 -10.894 -2.883 -7.866 1.00 0.00 O ATOM 1345 CB GLN A 88 -10.589 -5.553 -9.448 1.00 0.00 C ATOM 1346 CG GLN A 88 -10.647 -6.173 -10.834 1.00 0.00 C ATOM 1347 CD GLN A 88 -11.904 -6.991 -11.055 1.00 0.00 C ATOM 1348 OE1 GLN A 88 -12.634 -6.779 -12.025 1.00 0.00 O ATOM 1349 NE2 GLN A 88 -12.165 -7.932 -10.156 1.00 0.00 N ATOM 0 H GLN A 88 -8.148 -5.666 -9.825 1.00 0.00 H new ATOM 0 HA GLN A 88 -9.946 -3.635 -10.175 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.232 -6.301 -8.739 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -11.598 -5.277 -9.140 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.595 -5.383 -11.584 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -9.774 -6.809 -10.980 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -11.533 -8.074 -9.368 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -12.997 -8.514 -10.253 1.00 0.00 H new ATOM 1358 N LEU A 89 -8.985 -3.799 -7.104 1.00 0.00 N ATOM 1359 CA LEU A 89 -9.078 -3.170 -5.791 1.00 0.00 C ATOM 1360 C LEU A 89 -8.466 -1.773 -5.812 1.00 0.00 C ATOM 1361 O LEU A 89 -8.930 -0.871 -5.114 1.00 0.00 O ATOM 1362 CB LEU A 89 -8.376 -4.032 -4.740 1.00 0.00 C ATOM 1363 CG LEU A 89 -8.244 -3.416 -3.347 1.00 0.00 C ATOM 1364 CD1 LEU A 89 -8.156 -4.505 -2.289 1.00 0.00 C ATOM 1365 CD2 LEU A 89 -7.028 -2.504 -3.280 1.00 0.00 C ATOM 0 H LEU A 89 -8.164 -4.390 -7.231 1.00 0.00 H new ATOM 0 HA LEU A 89 -10.133 -3.080 -5.532 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -8.919 -4.973 -4.649 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.378 -4.273 -5.105 1.00 0.00 H new ATOM 0 HG LEU A 89 -9.133 -2.817 -3.149 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.062 -4.048 -1.304 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.057 -5.117 -2.321 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -7.285 -5.131 -2.483 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.950 -2.074 -2.281 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.129 -3.080 -3.499 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.133 -1.703 -4.012 1.00 0.00 H new ATOM 1377 N ILE A 90 -7.423 -1.602 -6.618 1.00 0.00 N ATOM 1378 CA ILE A 90 -6.750 -0.314 -6.731 1.00 0.00 C ATOM 1379 C ILE A 90 -7.648 0.718 -7.405 1.00 0.00 C ATOM 1380 O ILE A 90 -7.857 1.810 -6.878 1.00 0.00 O ATOM 1381 CB ILE A 90 -5.437 -0.434 -7.527 1.00 0.00 C ATOM 1382 CG1 ILE A 90 -4.428 -1.293 -6.763 1.00 0.00 C ATOM 1383 CG2 ILE A 90 -4.860 0.946 -7.808 1.00 0.00 C ATOM 1384 CD1 ILE A 90 -3.927 -0.648 -5.490 1.00 0.00 C ATOM 0 H ILE A 90 -7.026 -2.338 -7.202 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.522 0.014 -5.717 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.650 -0.919 -8.480 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -4.889 -2.250 -6.519 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.578 -1.505 -7.412 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.932 0.845 -8.371 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.575 1.528 -8.389 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -4.658 1.455 -6.865 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -3.215 -1.313 -5.001 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -3.437 0.296 -5.729 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -4.768 -0.461 -4.822 1.00 0.00 H new ATOM 1396 N GLU A 91 -8.177 0.363 -8.572 1.00 0.00 N ATOM 1397 CA GLU A 91 -9.053 1.259 -9.317 1.00 0.00 C ATOM 1398 C GLU A 91 -10.345 1.520 -8.548 1.00 0.00 C ATOM 1399 O GLU A 91 -11.039 2.506 -8.795 1.00 0.00 O ATOM 1400 CB GLU A 91 -9.376 0.667 -10.690 1.00 0.00 C ATOM 1401 CG GLU A 91 -8.197 0.675 -11.649 1.00 0.00 C ATOM 1402 CD GLU A 91 -8.286 -0.421 -12.693 1.00 0.00 C ATOM 1403 OE1 GLU A 91 -8.442 -1.598 -12.306 1.00 0.00 O ATOM 1404 OE2 GLU A 91 -8.201 -0.102 -13.898 1.00 0.00 O ATOM 0 H GLU A 91 -8.014 -0.538 -9.021 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.532 2.207 -9.451 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.722 -0.359 -10.562 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -10.198 1.228 -11.134 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.146 1.643 -12.147 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.273 0.558 -11.083 1.00 0.00 H new ATOM 1411 N PHE A 92 -10.661 0.629 -7.613 1.00 0.00 N ATOM 1412 CA PHE A 92 -11.869 0.762 -6.808 1.00 0.00 C ATOM 1413 C PHE A 92 -11.655 1.749 -5.664 1.00 0.00 C ATOM 1414 O PHE A 92 -12.600 2.375 -5.184 1.00 0.00 O ATOM 1415 CB PHE A 92 -12.288 -0.600 -6.250 1.00 0.00 C ATOM 1416 CG PHE A 92 -13.364 -0.515 -5.206 1.00 0.00 C ATOM 1417 CD1 PHE A 92 -14.691 -0.358 -5.571 1.00 0.00 C ATOM 1418 CD2 PHE A 92 -13.048 -0.591 -3.859 1.00 0.00 C ATOM 1419 CE1 PHE A 92 -15.684 -0.280 -4.612 1.00 0.00 C ATOM 1420 CE2 PHE A 92 -14.036 -0.514 -2.896 1.00 0.00 C ATOM 1421 CZ PHE A 92 -15.356 -0.357 -3.273 1.00 0.00 C ATOM 0 H PHE A 92 -10.097 -0.192 -7.395 1.00 0.00 H new ATOM 0 HA PHE A 92 -12.663 1.144 -7.450 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -12.637 -1.228 -7.070 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -11.415 -1.092 -5.821 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -14.953 -0.296 -6.617 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -12.018 -0.712 -3.558 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -16.715 -0.159 -4.910 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -13.777 -0.576 -1.849 1.00 0.00 H new ATOM 0 HZ PHE A 92 -16.130 -0.295 -2.522 1.00 0.00 H new ATOM 1431 N TYR A 93 -10.406 1.881 -5.231 1.00 0.00 N ATOM 1432 CA TYR A 93 -10.067 2.788 -4.141 1.00 0.00 C ATOM 1433 C TYR A 93 -9.494 4.095 -4.679 1.00 0.00 C ATOM 1434 O TYR A 93 -8.563 4.662 -4.106 1.00 0.00 O ATOM 1435 CB TYR A 93 -9.062 2.129 -3.195 1.00 0.00 C ATOM 1436 CG TYR A 93 -9.709 1.355 -2.068 1.00 0.00 C ATOM 1437 CD1 TYR A 93 -10.085 0.028 -2.236 1.00 0.00 C ATOM 1438 CD2 TYR A 93 -9.944 1.951 -0.835 1.00 0.00 C ATOM 1439 CE1 TYR A 93 -10.677 -0.682 -1.210 1.00 0.00 C ATOM 1440 CE2 TYR A 93 -10.534 1.248 0.197 1.00 0.00 C ATOM 1441 CZ TYR A 93 -10.899 -0.068 0.005 1.00 0.00 C ATOM 1442 OH TYR A 93 -11.488 -0.773 1.030 1.00 0.00 O ATOM 0 H TYR A 93 -9.612 1.371 -5.618 1.00 0.00 H new ATOM 0 HA TYR A 93 -10.981 3.012 -3.591 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.424 1.456 -3.768 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.415 2.898 -2.772 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -9.911 -0.457 -3.185 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -9.660 2.982 -0.681 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -10.965 -1.712 -1.358 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -10.709 1.726 1.149 1.00 0.00 H new ATOM 0 HH TYR A 93 -11.572 -0.196 1.818 1.00 0.00 H new ATOM 1452 N LYS A 94 -10.057 4.570 -5.785 1.00 0.00 N ATOM 1453 CA LYS A 94 -9.605 5.811 -6.402 1.00 0.00 C ATOM 1454 C LYS A 94 -10.525 6.970 -6.031 1.00 0.00 C ATOM 1455 O LYS A 94 -10.467 8.041 -6.635 1.00 0.00 O ATOM 1456 CB LYS A 94 -9.550 5.658 -7.924 1.00 0.00 C ATOM 1457 CG LYS A 94 -8.279 4.991 -8.422 1.00 0.00 C ATOM 1458 CD LYS A 94 -8.063 5.242 -9.905 1.00 0.00 C ATOM 1459 CE LYS A 94 -6.749 4.645 -10.385 1.00 0.00 C ATOM 1460 NZ LYS A 94 -6.807 4.260 -11.823 1.00 0.00 N ATOM 0 H LYS A 94 -10.828 4.114 -6.273 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.605 6.029 -6.028 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.410 5.075 -8.254 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.638 6.643 -8.383 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -7.425 5.368 -7.860 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.334 3.918 -8.238 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -8.888 4.811 -10.472 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -8.069 6.315 -10.098 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.946 5.366 -10.234 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.507 3.769 -9.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -6.312 3.356 -11.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.800 4.159 -12.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.350 4.996 -12.398 1.00 0.00 H new ATOM 1474 N LYS A 95 -11.374 6.748 -5.033 1.00 0.00 N ATOM 1475 CA LYS A 95 -12.305 7.774 -4.578 1.00 0.00 C ATOM 1476 C LYS A 95 -11.757 8.504 -3.356 1.00 0.00 C ATOM 1477 O LYS A 95 -11.148 7.893 -2.479 1.00 0.00 O ATOM 1478 CB LYS A 95 -13.662 7.149 -4.245 1.00 0.00 C ATOM 1479 CG LYS A 95 -14.793 8.159 -4.163 1.00 0.00 C ATOM 1480 CD LYS A 95 -15.373 8.460 -5.535 1.00 0.00 C ATOM 1481 CE LYS A 95 -16.516 7.515 -5.877 1.00 0.00 C ATOM 1482 NZ LYS A 95 -16.020 6.181 -6.315 1.00 0.00 N ATOM 0 H LYS A 95 -11.436 5.866 -4.524 1.00 0.00 H new ATOM 0 HA LYS A 95 -12.432 8.497 -5.384 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -13.905 6.404 -5.003 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -13.586 6.623 -3.294 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -15.578 7.775 -3.511 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -14.427 9.081 -3.712 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -15.730 9.489 -5.562 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -14.590 8.374 -6.289 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -17.161 7.395 -5.006 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -17.126 7.953 -6.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -16.678 5.778 -7.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -15.079 6.285 -6.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -15.956 5.547 -5.493 1.00 0.00 H new ATOM 1549 N LEU A 100 -9.758 5.741 1.339 1.00 0.00 N ATOM 1550 CA LEU A 100 -8.607 5.841 2.230 1.00 0.00 C ATOM 1551 C LEU A 100 -8.306 7.297 2.569 1.00 0.00 C ATOM 1552 O LEU A 100 -9.025 8.205 2.151 1.00 0.00 O ATOM 1553 CB LEU A 100 -7.381 5.190 1.588 1.00 0.00 C ATOM 1554 CG LEU A 100 -7.529 3.719 1.198 1.00 0.00 C ATOM 1555 CD1 LEU A 100 -6.618 3.383 0.027 1.00 0.00 C ATOM 1556 CD2 LEU A 100 -7.227 2.819 2.387 1.00 0.00 C ATOM 0 HA LEU A 100 -8.847 5.315 3.154 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.119 5.757 0.695 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.543 5.279 2.279 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.560 3.546 0.890 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -6.737 2.332 -0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.882 4.004 -0.829 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.582 3.572 0.306 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.337 1.776 2.091 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.206 2.994 2.726 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.921 3.042 3.197 1.00 0.00 H new ATOM 1568 N VAL A 101 -7.236 7.513 3.328 1.00 0.00 N ATOM 1569 CA VAL A 101 -6.836 8.860 3.721 1.00 0.00 C ATOM 1570 C VAL A 101 -6.813 9.798 2.519 1.00 0.00 C ATOM 1571 O VAL A 101 -6.908 11.017 2.667 1.00 0.00 O ATOM 1572 CB VAL A 101 -5.448 8.861 4.387 1.00 0.00 C ATOM 1573 CG1 VAL A 101 -4.443 8.108 3.529 1.00 0.00 C ATOM 1574 CG2 VAL A 101 -4.981 10.287 4.641 1.00 0.00 C ATOM 0 H VAL A 101 -6.631 6.773 3.683 1.00 0.00 H new ATOM 0 HA VAL A 101 -7.575 9.214 4.440 1.00 0.00 H new ATOM 0 HB VAL A 101 -5.524 8.351 5.347 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -3.468 8.120 4.016 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.773 7.077 3.402 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -4.367 8.587 2.553 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -3.998 10.270 5.112 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -4.920 10.824 3.694 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -5.690 10.790 5.299 1.00 0.00 H new ATOM 1584 N THR A 102 -6.686 9.222 1.328 1.00 0.00 N ATOM 1585 CA THR A 102 -6.649 10.006 0.100 1.00 0.00 C ATOM 1586 C THR A 102 -6.823 9.117 -1.126 1.00 0.00 C ATOM 1587 O THR A 102 -6.331 7.989 -1.162 1.00 0.00 O ATOM 1588 CB THR A 102 -5.327 10.786 -0.029 1.00 0.00 C ATOM 1589 OG1 THR A 102 -5.283 11.472 -1.285 1.00 0.00 O ATOM 1590 CG2 THR A 102 -4.133 9.850 0.085 1.00 0.00 C ATOM 0 H THR A 102 -6.607 8.215 1.188 1.00 0.00 H new ATOM 0 HA THR A 102 -7.476 10.714 0.152 1.00 0.00 H new ATOM 0 HB THR A 102 -5.279 11.512 0.783 1.00 0.00 H new ATOM 0 HG1 THR A 102 -4.522 12.090 -1.294 1.00 0.00 H new ATOM 0 HG21 THR A 102 -3.211 10.423 -0.009 1.00 0.00 H new ATOM 0 HG22 THR A 102 -4.153 9.351 1.054 1.00 0.00 H new ATOM 0 HG23 THR A 102 -4.179 9.104 -0.708 1.00 0.00 H new ATOM 1598 N HIS A 103 -7.525 9.632 -2.130 1.00 0.00 N ATOM 1599 CA HIS A 103 -7.762 8.884 -3.360 1.00 0.00 C ATOM 1600 C HIS A 103 -6.486 8.781 -4.188 1.00 0.00 C ATOM 1601 O HIS A 103 -5.754 9.760 -4.346 1.00 0.00 O ATOM 1602 CB HIS A 103 -8.865 9.551 -4.182 1.00 0.00 C ATOM 1603 CG HIS A 103 -8.384 10.706 -5.005 1.00 0.00 C ATOM 1604 ND1 HIS A 103 -7.865 11.859 -4.454 1.00 0.00 N ATOM 1605 CD2 HIS A 103 -8.343 10.881 -6.347 1.00 0.00 C ATOM 1606 CE1 HIS A 103 -7.527 12.693 -5.420 1.00 0.00 C ATOM 1607 NE2 HIS A 103 -7.806 12.124 -6.579 1.00 0.00 N ATOM 0 H HIS A 103 -7.940 10.564 -2.116 1.00 0.00 H new ATOM 0 HA HIS A 103 -8.079 7.877 -3.088 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -9.315 8.808 -4.841 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -9.649 9.897 -3.509 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -8.671 10.175 -7.095 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -7.096 13.674 -5.285 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -7.648 12.540 -7.497 1.00 0.00 H new ATOM 1616 N LEU A 104 -6.223 7.590 -4.715 1.00 0.00 N ATOM 1617 CA LEU A 104 -5.033 7.358 -5.527 1.00 0.00 C ATOM 1618 C LEU A 104 -4.924 8.394 -6.641 1.00 0.00 C ATOM 1619 O LEU A 104 -5.890 8.650 -7.360 1.00 0.00 O ATOM 1620 CB LEU A 104 -5.066 5.951 -6.125 1.00 0.00 C ATOM 1621 CG LEU A 104 -5.498 4.829 -5.179 1.00 0.00 C ATOM 1622 CD1 LEU A 104 -5.400 3.479 -5.873 1.00 0.00 C ATOM 1623 CD2 LEU A 104 -4.652 4.844 -3.914 1.00 0.00 C ATOM 0 H LEU A 104 -6.818 6.770 -4.595 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.159 7.451 -4.882 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.741 5.957 -6.981 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.072 5.716 -6.505 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.538 4.995 -4.899 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.711 2.693 -5.185 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.049 3.472 -6.749 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.370 3.303 -6.183 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.973 4.039 -3.252 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.603 4.702 -4.176 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.773 5.801 -3.407 1.00 0.00 H new ATOM 1635 N GLN A 105 -3.742 8.985 -6.779 1.00 0.00 N ATOM 1636 CA GLN A 105 -3.507 9.992 -7.807 1.00 0.00 C ATOM 1637 C GLN A 105 -2.443 9.524 -8.795 1.00 0.00 C ATOM 1638 O GLN A 105 -2.712 9.373 -9.987 1.00 0.00 O ATOM 1639 CB GLN A 105 -3.079 11.314 -7.167 1.00 0.00 C ATOM 1640 CG GLN A 105 -4.102 11.880 -6.196 1.00 0.00 C ATOM 1641 CD GLN A 105 -3.658 13.190 -5.577 1.00 0.00 C ATOM 1642 OE1 GLN A 105 -2.639 13.761 -5.969 1.00 0.00 O ATOM 1643 NE2 GLN A 105 -4.421 13.675 -4.605 1.00 0.00 N ATOM 0 H GLN A 105 -2.932 8.784 -6.192 1.00 0.00 H new ATOM 0 HA GLN A 105 -4.439 10.144 -8.351 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -2.136 11.165 -6.642 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -2.894 12.045 -7.954 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -5.047 12.031 -6.717 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -4.287 11.153 -5.405 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -5.257 13.169 -4.312 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -4.172 14.554 -4.151 1.00 0.00 H new ATOM 1652 N TYR A 106 -1.235 9.296 -8.291 1.00 0.00 N ATOM 1653 CA TYR A 106 -0.130 8.848 -9.130 1.00 0.00 C ATOM 1654 C TYR A 106 0.526 7.601 -8.546 1.00 0.00 C ATOM 1655 O TYR A 106 1.052 7.608 -7.432 1.00 0.00 O ATOM 1656 CB TYR A 106 0.908 9.961 -9.281 1.00 0.00 C ATOM 1657 CG TYR A 106 0.317 11.351 -9.230 1.00 0.00 C ATOM 1658 CD1 TYR A 106 -0.321 11.897 -10.337 1.00 0.00 C ATOM 1659 CD2 TYR A 106 0.395 12.119 -8.074 1.00 0.00 C ATOM 1660 CE1 TYR A 106 -0.863 13.168 -10.295 1.00 0.00 C ATOM 1661 CE2 TYR A 106 -0.145 13.390 -8.023 1.00 0.00 C ATOM 1662 CZ TYR A 106 -0.772 13.910 -9.135 1.00 0.00 C ATOM 1663 OH TYR A 106 -1.311 15.175 -9.089 1.00 0.00 O ATOM 0 H TYR A 106 -0.996 9.414 -7.306 1.00 0.00 H new ATOM 0 HA TYR A 106 -0.531 8.599 -10.113 1.00 0.00 H new ATOM 0 HB2 TYR A 106 1.652 9.862 -8.490 1.00 0.00 H new ATOM 0 HB3 TYR A 106 1.431 9.832 -10.229 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -0.395 11.318 -11.246 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.886 11.715 -7.201 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -1.355 13.578 -11.165 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -0.076 13.973 -7.116 1.00 0.00 H new ATOM 0 HH TYR A 106 -1.163 15.562 -8.201 1.00 0.00 H new ATOM 1673 N PRO A 107 0.497 6.502 -9.315 1.00 0.00 N ATOM 1674 CA PRO A 107 1.085 5.226 -8.896 1.00 0.00 C ATOM 1675 C PRO A 107 2.608 5.276 -8.855 1.00 0.00 C ATOM 1676 O PRO A 107 3.274 5.040 -9.864 1.00 0.00 O ATOM 1677 CB PRO A 107 0.610 4.247 -9.972 1.00 0.00 C ATOM 1678 CG PRO A 107 0.364 5.093 -11.173 1.00 0.00 C ATOM 1679 CD PRO A 107 -0.113 6.421 -10.653 1.00 0.00 C ATOM 0 HA PRO A 107 0.783 4.949 -7.886 1.00 0.00 H new ATOM 0 HB2 PRO A 107 1.362 3.484 -10.173 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -0.296 3.727 -9.662 1.00 0.00 H new ATOM 0 HG2 PRO A 107 1.274 5.208 -11.762 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -0.382 4.638 -11.825 1.00 0.00 H new ATOM 0 HD2 PRO A 107 0.210 7.243 -11.292 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -1.201 6.465 -10.602 1.00 0.00 H new ATOM 1687 N VAL A 108 3.155 5.583 -7.683 1.00 0.00 N ATOM 1688 CA VAL A 108 4.600 5.662 -7.511 1.00 0.00 C ATOM 1689 C VAL A 108 5.312 4.611 -8.355 1.00 0.00 C ATOM 1690 O VAL A 108 5.173 3.407 -8.138 1.00 0.00 O ATOM 1691 CB VAL A 108 5.000 5.478 -6.035 1.00 0.00 C ATOM 1692 CG1 VAL A 108 6.508 5.328 -5.905 1.00 0.00 C ATOM 1693 CG2 VAL A 108 4.499 6.644 -5.198 1.00 0.00 C ATOM 0 H VAL A 108 2.618 5.781 -6.838 1.00 0.00 H new ATOM 0 HA VAL A 108 4.905 6.655 -7.841 1.00 0.00 H new ATOM 0 HB VAL A 108 4.534 4.566 -5.662 1.00 0.00 H new ATOM 0 HG11 VAL A 108 6.772 5.199 -4.855 1.00 0.00 H new ATOM 0 HG12 VAL A 108 6.837 4.457 -6.471 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.997 6.220 -6.295 1.00 0.00 H new ATOM 0 HG21 VAL A 108 4.791 6.497 -4.158 1.00 0.00 H new ATOM 0 HG22 VAL A 108 4.934 7.572 -5.569 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.413 6.700 -5.266 1.00 0.00 H new ATOM 1703 N PRO A 109 6.095 5.074 -9.341 1.00 0.00 N ATOM 1704 CA PRO A 109 6.846 4.189 -10.237 1.00 0.00 C ATOM 1705 C PRO A 109 7.994 3.482 -9.525 1.00 0.00 C ATOM 1706 O PRO A 109 8.348 3.830 -8.397 1.00 0.00 O ATOM 1707 CB PRO A 109 7.386 5.143 -11.305 1.00 0.00 C ATOM 1708 CG PRO A 109 7.452 6.469 -10.631 1.00 0.00 C ATOM 1709 CD PRO A 109 6.307 6.496 -9.656 1.00 0.00 C ATOM 0 HA PRO A 109 6.223 3.388 -10.636 1.00 0.00 H new ATOM 0 HB2 PRO A 109 8.369 4.828 -11.656 1.00 0.00 H new ATOM 0 HB3 PRO A 109 6.731 5.174 -12.176 1.00 0.00 H new ATOM 0 HG2 PRO A 109 8.405 6.599 -10.118 1.00 0.00 H new ATOM 0 HG3 PRO A 109 7.367 7.279 -11.355 1.00 0.00 H new ATOM 0 HD2 PRO A 109 6.552 7.073 -8.764 1.00 0.00 H new ATOM 0 HD3 PRO A 109 5.417 6.948 -10.094 1.00 0.00 H new ATOM 1717 N LEU A 110 8.573 2.488 -10.189 1.00 0.00 N ATOM 1718 CA LEU A 110 9.683 1.732 -9.619 1.00 0.00 C ATOM 1719 C LEU A 110 10.980 2.531 -9.691 1.00 0.00 C ATOM 1720 O LEU A 110 10.997 3.662 -10.176 1.00 0.00 O ATOM 1721 CB LEU A 110 9.849 0.401 -10.355 1.00 0.00 C ATOM 1722 CG LEU A 110 8.613 -0.497 -10.407 1.00 0.00 C ATOM 1723 CD1 LEU A 110 8.852 -1.684 -11.327 1.00 0.00 C ATOM 1724 CD2 LEU A 110 8.239 -0.970 -9.010 1.00 0.00 C ATOM 0 H LEU A 110 8.293 2.187 -11.122 1.00 0.00 H new ATOM 0 HA LEU A 110 9.457 1.536 -8.571 1.00 0.00 H new ATOM 0 HB2 LEU A 110 10.164 0.611 -11.377 1.00 0.00 H new ATOM 0 HB3 LEU A 110 10.657 -0.155 -9.880 1.00 0.00 H new ATOM 0 HG LEU A 110 7.783 0.084 -10.807 1.00 0.00 H new ATOM 0 HD11 LEU A 110 7.961 -2.311 -11.351 1.00 0.00 H new ATOM 0 HD12 LEU A 110 9.071 -1.326 -12.333 1.00 0.00 H new ATOM 0 HD13 LEU A 110 9.696 -2.267 -10.958 1.00 0.00 H new ATOM 0 HD21 LEU A 110 7.357 -1.608 -9.066 1.00 0.00 H new ATOM 0 HD22 LEU A 110 9.068 -1.534 -8.583 1.00 0.00 H new ATOM 0 HD23 LEU A 110 8.023 -0.107 -8.379 1.00 0.00 H new