USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=22 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= -7.13! C(o=-10!,f=-8.3!) USER MOD Set 1.2: A 105 GLN : amide:sc= -3.07! K(o=-10!,f=-8.1) USER MOD Set 2.1: A 50 CYS SG : rot -160:sc= 0 USER MOD Set 2.2: A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 180:sc= -0.603 USER MOD Single : A 13 ASN : amide:sc= -0.0466 X(o=-0.047,f=0) USER MOD Single : A 14 HIS : no HD1:sc= -3.97! C(o=-4!,f=-5!) USER MOD Single : A 16 ASN : amide:sc= -0.909 K(o=-0.91,f=-3.2!) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.017 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 166:sc= 0.0212 (180deg=-0.128) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 170:sc= -0.207 (180deg=-0.392) USER MOD Single : A 34 SER OG : rot 180:sc= -0.823 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 X(o=0,f=0) USER MOD Single : A 56 CYS SG : rot 30:sc= 0.602 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -3.16! C(o=-3.2!,f=-18!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -12:sc= 0.901 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) 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 K(o=0,f=0.7) USER MOD Single : A 93 TYR OH : rot 30:sc= -0.652 USER MOD Single : A 94 LYS NZ :NH3+ 155:sc= 0.188 (180deg=0.0327) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 113 N CYS A 11 2.352 -0.063 -12.295 1.00 0.00 N ATOM 114 CA CYS A 11 3.667 0.249 -11.745 1.00 0.00 C ATOM 115 C CYS A 11 3.617 0.315 -10.222 1.00 0.00 C ATOM 116 O CYS A 11 4.619 0.073 -9.548 1.00 0.00 O ATOM 117 CB CYS A 11 4.177 1.576 -12.309 1.00 0.00 C ATOM 118 SG CYS A 11 3.149 3.002 -11.885 1.00 0.00 S ATOM 0 HA CYS A 11 4.353 -0.547 -12.034 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.189 1.749 -11.943 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.240 1.497 -13.394 1.00 0.00 H new ATOM 0 HG CYS A 11 3.663 4.077 -12.405 1.00 0.00 H new ATOM 124 N TRP A 12 2.448 0.646 -9.688 1.00 0.00 N ATOM 125 CA TRP A 12 2.269 0.746 -8.243 1.00 0.00 C ATOM 126 C TRP A 12 2.677 -0.551 -7.553 1.00 0.00 C ATOM 127 O TRP A 12 3.046 -0.550 -6.380 1.00 0.00 O ATOM 128 CB TRP A 12 0.813 1.078 -7.911 1.00 0.00 C ATOM 129 CG TRP A 12 -0.175 0.324 -8.749 1.00 0.00 C ATOM 130 CD1 TRP A 12 -0.825 0.781 -9.860 1.00 0.00 C ATOM 131 CD2 TRP A 12 -0.625 -1.019 -8.542 1.00 0.00 C ATOM 132 NE1 TRP A 12 -1.653 -0.197 -10.356 1.00 0.00 N ATOM 133 CE2 TRP A 12 -1.548 -1.311 -9.566 1.00 0.00 C ATOM 134 CE3 TRP A 12 -0.338 -2.004 -7.594 1.00 0.00 C ATOM 135 CZ2 TRP A 12 -2.184 -2.546 -9.664 1.00 0.00 C ATOM 136 CZ3 TRP A 12 -0.970 -3.229 -7.693 1.00 0.00 C ATOM 137 CH2 TRP A 12 -1.883 -3.492 -8.722 1.00 0.00 C ATOM 0 H TRP A 12 1.610 0.850 -10.232 1.00 0.00 H new ATOM 0 HA TRP A 12 2.910 1.548 -7.877 1.00 0.00 H new ATOM 0 HB2 TRP A 12 0.629 0.859 -6.859 1.00 0.00 H new ATOM 0 HB3 TRP A 12 0.652 2.147 -8.046 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -0.706 1.766 -10.286 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.249 -0.108 -11.179 1.00 0.00 H new ATOM 0 HE3 TRP A 12 0.366 -1.812 -6.798 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -2.890 -2.750 -10.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -0.756 -3.997 -6.964 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -2.359 -4.460 -8.773 1.00 0.00 H new ATOM 148 N ASN A 13 2.608 -1.655 -8.290 1.00 0.00 N ATOM 149 CA ASN A 13 2.971 -2.960 -7.747 1.00 0.00 C ATOM 150 C ASN A 13 4.486 -3.131 -7.709 1.00 0.00 C ATOM 151 O ASN A 13 5.105 -3.506 -8.706 1.00 0.00 O ATOM 152 CB ASN A 13 2.341 -4.076 -8.582 1.00 0.00 C ATOM 153 CG ASN A 13 2.425 -5.427 -7.899 1.00 0.00 C ATOM 154 OD1 ASN A 13 3.254 -6.265 -8.256 1.00 0.00 O ATOM 155 ND2 ASN A 13 1.565 -5.645 -6.911 1.00 0.00 N ATOM 0 H ASN A 13 2.305 -1.673 -9.264 1.00 0.00 H new ATOM 0 HA ASN A 13 2.591 -3.020 -6.727 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.296 -3.835 -8.777 1.00 0.00 H new ATOM 0 HB3 ASN A 13 2.841 -4.129 -9.549 1.00 0.00 H new ATOM 0 HD21 ASN A 13 1.574 -6.536 -6.414 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.895 -4.922 -6.649 1.00 0.00 H new ATOM 162 N HIS A 14 5.079 -2.854 -6.552 1.00 0.00 N ATOM 163 CA HIS A 14 6.523 -2.979 -6.384 1.00 0.00 C ATOM 164 C HIS A 14 6.905 -4.408 -6.010 1.00 0.00 C ATOM 165 O HIS A 14 7.892 -4.634 -5.311 1.00 0.00 O ATOM 166 CB HIS A 14 7.018 -2.009 -5.311 1.00 0.00 C ATOM 167 CG HIS A 14 7.179 -0.603 -5.802 1.00 0.00 C ATOM 168 ND1 HIS A 14 8.392 0.053 -5.821 1.00 0.00 N ATOM 169 CD2 HIS A 14 6.272 0.271 -6.297 1.00 0.00 C ATOM 170 CE1 HIS A 14 8.224 1.271 -6.304 1.00 0.00 C ATOM 171 NE2 HIS A 14 6.946 1.428 -6.601 1.00 0.00 N ATOM 0 H HIS A 14 4.583 -2.542 -5.717 1.00 0.00 H new ATOM 0 HA HIS A 14 6.997 -2.732 -7.334 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.317 -2.015 -4.476 1.00 0.00 H new ATOM 0 HB3 HIS A 14 7.975 -2.363 -4.927 1.00 0.00 H new ATOM 0 HD2 HIS A 14 5.215 0.092 -6.428 1.00 0.00 H new ATOM 0 HE1 HIS A 14 8.999 2.012 -6.434 1.00 0.00 H new ATOM 0 HE2 HIS A 14 6.528 2.272 -6.993 1.00 0.00 H new ATOM 180 N GLY A 15 6.115 -5.369 -6.479 1.00 0.00 N ATOM 181 CA GLY A 15 6.386 -6.763 -6.182 1.00 0.00 C ATOM 182 C GLY A 15 6.686 -6.996 -4.715 1.00 0.00 C ATOM 183 O GLY A 15 5.789 -6.939 -3.875 1.00 0.00 O ATOM 0 H GLY A 15 5.292 -5.207 -7.059 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.527 -7.367 -6.474 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.232 -7.101 -6.781 1.00 0.00 H new ATOM 187 N ASN A 16 7.951 -7.262 -4.405 1.00 0.00 N ATOM 188 CA ASN A 16 8.366 -7.507 -3.029 1.00 0.00 C ATOM 189 C ASN A 16 9.605 -6.688 -2.680 1.00 0.00 C ATOM 190 O ASN A 16 10.734 -7.130 -2.894 1.00 0.00 O ATOM 191 CB ASN A 16 8.648 -8.996 -2.817 1.00 0.00 C ATOM 192 CG ASN A 16 9.702 -9.525 -3.770 1.00 0.00 C ATOM 193 OD1 ASN A 16 9.587 -9.375 -4.986 1.00 0.00 O ATOM 194 ND2 ASN A 16 10.737 -10.150 -3.219 1.00 0.00 N ATOM 0 H ASN A 16 8.706 -7.313 -5.089 1.00 0.00 H new ATOM 0 HA ASN A 16 7.553 -7.201 -2.371 1.00 0.00 H new ATOM 0 HB2 ASN A 16 8.976 -9.159 -1.790 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.725 -9.561 -2.950 1.00 0.00 H new ATOM 0 HD21 ASN A 16 11.478 -10.528 -3.810 1.00 0.00 H new ATOM 0 HD22 ASN A 16 10.791 -10.251 -2.205 1.00 0.00 H new ATOM 201 N ILE A 17 9.385 -5.493 -2.142 1.00 0.00 N ATOM 202 CA ILE A 17 10.484 -4.613 -1.762 1.00 0.00 C ATOM 203 C ILE A 17 10.536 -4.421 -0.250 1.00 0.00 C ATOM 204 O ILE A 17 9.560 -4.680 0.455 1.00 0.00 O ATOM 205 CB ILE A 17 10.362 -3.236 -2.440 1.00 0.00 C ATOM 206 CG1 ILE A 17 8.963 -2.656 -2.217 1.00 0.00 C ATOM 207 CG2 ILE A 17 10.664 -3.348 -3.926 1.00 0.00 C ATOM 208 CD1 ILE A 17 8.933 -1.144 -2.189 1.00 0.00 C ATOM 0 H ILE A 17 8.457 -5.112 -1.959 1.00 0.00 H new ATOM 0 HA ILE A 17 11.404 -5.093 -2.097 1.00 0.00 H new ATOM 0 HB ILE A 17 11.091 -2.561 -1.992 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.302 -3.010 -3.008 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.567 -3.037 -1.276 1.00 0.00 H new ATOM 0 HG21 ILE A 17 10.573 -2.366 -4.391 1.00 0.00 H new ATOM 0 HG22 ILE A 17 11.678 -3.723 -4.064 1.00 0.00 H new ATOM 0 HG23 ILE A 17 9.957 -4.036 -4.390 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.910 -0.803 -2.027 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.568 -0.782 -1.380 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.299 -0.755 -3.139 1.00 0.00 H new ATOM 220 N THR A 18 11.683 -3.963 0.243 1.00 0.00 N ATOM 221 CA THR A 18 11.863 -3.734 1.671 1.00 0.00 C ATOM 222 C THR A 18 10.979 -2.594 2.162 1.00 0.00 C ATOM 223 O THR A 18 10.648 -1.682 1.404 1.00 0.00 O ATOM 224 CB THR A 18 13.332 -3.411 2.007 1.00 0.00 C ATOM 225 OG1 THR A 18 13.459 -3.103 3.399 1.00 0.00 O ATOM 226 CG2 THR A 18 13.832 -2.240 1.175 1.00 0.00 C ATOM 0 H THR A 18 12.501 -3.744 -0.326 1.00 0.00 H new ATOM 0 HA THR A 18 11.576 -4.656 2.177 1.00 0.00 H new ATOM 0 HB THR A 18 13.937 -4.287 1.773 1.00 0.00 H new ATOM 0 HG1 THR A 18 14.395 -2.901 3.605 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.871 -2.030 1.429 1.00 0.00 H new ATOM 0 HG22 THR A 18 13.761 -2.489 0.116 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.223 -1.360 1.382 1.00 0.00 H new ATOM 234 N ARG A 19 10.600 -2.651 3.434 1.00 0.00 N ATOM 235 CA ARG A 19 9.753 -1.622 4.026 1.00 0.00 C ATOM 236 C ARG A 19 10.358 -0.236 3.822 1.00 0.00 C ATOM 237 O ARG A 19 9.679 0.689 3.377 1.00 0.00 O ATOM 238 CB ARG A 19 9.556 -1.890 5.519 1.00 0.00 C ATOM 239 CG ARG A 19 8.215 -1.413 6.052 1.00 0.00 C ATOM 240 CD ARG A 19 7.105 -2.403 5.736 1.00 0.00 C ATOM 241 NE ARG A 19 7.117 -3.546 6.645 1.00 0.00 N ATOM 242 CZ ARG A 19 6.737 -3.478 7.916 1.00 0.00 C ATOM 243 NH1 ARG A 19 6.317 -2.329 8.426 1.00 0.00 N ATOM 244 NH2 ARG A 19 6.776 -4.563 8.680 1.00 0.00 N ATOM 0 H ARG A 19 10.866 -3.399 4.075 1.00 0.00 H new ATOM 0 HA ARG A 19 8.784 -1.653 3.528 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.651 -2.960 5.703 1.00 0.00 H new ATOM 0 HB3 ARG A 19 10.354 -1.399 6.076 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.281 -1.271 7.131 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.974 -0.443 5.617 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.141 -1.899 5.800 1.00 0.00 H new ATOM 0 HD3 ARG A 19 7.214 -2.754 4.710 1.00 0.00 H new ATOM 0 HE ARG A 19 7.435 -4.446 6.284 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.285 -1.493 7.842 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.026 -2.280 9.402 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.098 -5.449 8.291 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.484 -4.510 9.656 1.00 0.00 H new ATOM 258 N SER A 20 11.638 -0.101 4.151 1.00 0.00 N ATOM 259 CA SER A 20 12.334 1.172 4.009 1.00 0.00 C ATOM 260 C SER A 20 12.096 1.769 2.625 1.00 0.00 C ATOM 261 O SER A 20 11.898 2.976 2.482 1.00 0.00 O ATOM 262 CB SER A 20 13.834 0.988 4.246 1.00 0.00 C ATOM 263 OG SER A 20 14.495 2.239 4.330 1.00 0.00 O ATOM 0 H SER A 20 12.215 -0.858 4.518 1.00 0.00 H new ATOM 0 HA SER A 20 11.938 1.860 4.756 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.994 0.426 5.166 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.264 0.400 3.435 1.00 0.00 H new ATOM 0 HG SER A 20 15.452 2.094 4.483 1.00 0.00 H new ATOM 269 N LYS A 21 12.117 0.915 1.608 1.00 0.00 N ATOM 270 CA LYS A 21 11.902 1.355 0.234 1.00 0.00 C ATOM 271 C LYS A 21 10.503 1.936 0.061 1.00 0.00 C ATOM 272 O LYS A 21 10.342 3.066 -0.400 1.00 0.00 O ATOM 273 CB LYS A 21 12.105 0.188 -0.734 1.00 0.00 C ATOM 274 CG LYS A 21 11.965 0.579 -2.196 1.00 0.00 C ATOM 275 CD LYS A 21 13.162 1.384 -2.674 1.00 0.00 C ATOM 276 CE LYS A 21 12.838 2.164 -3.940 1.00 0.00 C ATOM 277 NZ LYS A 21 13.702 3.368 -4.084 1.00 0.00 N ATOM 0 H LYS A 21 12.281 -0.087 1.709 1.00 0.00 H new ATOM 0 HA LYS A 21 12.630 2.135 0.011 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.095 -0.238 -0.574 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.381 -0.594 -0.505 1.00 0.00 H new ATOM 0 HG2 LYS A 21 11.862 -0.319 -2.806 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.055 1.163 -2.332 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.475 2.074 -1.890 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.001 0.714 -2.862 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.967 1.518 -4.808 1.00 0.00 H new ATOM 0 HE3 LYS A 21 11.791 2.468 -3.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 13.624 3.738 -5.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 13.396 4.098 -3.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 14.691 3.111 -3.890 1.00 0.00 H new ATOM 291 N ALA A 22 9.493 1.157 0.435 1.00 0.00 N ATOM 292 CA ALA A 22 8.108 1.597 0.325 1.00 0.00 C ATOM 293 C ALA A 22 7.943 3.025 0.832 1.00 0.00 C ATOM 294 O ALA A 22 7.485 3.903 0.101 1.00 0.00 O ATOM 295 CB ALA A 22 7.192 0.654 1.091 1.00 0.00 C ATOM 0 H ALA A 22 9.608 0.218 0.817 1.00 0.00 H new ATOM 0 HA ALA A 22 7.830 1.579 -0.729 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.161 0.995 1.000 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.279 -0.352 0.680 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.479 0.642 2.142 1.00 0.00 H new ATOM 301 N GLU A 23 8.318 3.250 2.087 1.00 0.00 N ATOM 302 CA GLU A 23 8.209 4.573 2.691 1.00 0.00 C ATOM 303 C GLU A 23 9.155 5.560 2.012 1.00 0.00 C ATOM 304 O GLU A 23 8.761 6.674 1.667 1.00 0.00 O ATOM 305 CB GLU A 23 8.517 4.502 4.188 1.00 0.00 C ATOM 306 CG GLU A 23 7.554 3.621 4.966 1.00 0.00 C ATOM 307 CD GLU A 23 7.851 3.604 6.453 1.00 0.00 C ATOM 308 OE1 GLU A 23 9.038 3.724 6.822 1.00 0.00 O ATOM 309 OE2 GLU A 23 6.897 3.471 7.248 1.00 0.00 O ATOM 0 H GLU A 23 8.700 2.534 2.705 1.00 0.00 H new ATOM 0 HA GLU A 23 7.186 4.924 2.555 1.00 0.00 H new ATOM 0 HB2 GLU A 23 9.531 4.126 4.324 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.492 5.509 4.604 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.535 3.974 4.807 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.603 2.604 4.578 1.00 0.00 H new ATOM 316 N GLU A 24 10.403 5.143 1.826 1.00 0.00 N ATOM 317 CA GLU A 24 11.405 5.990 1.191 1.00 0.00 C ATOM 318 C GLU A 24 10.784 6.820 0.070 1.00 0.00 C ATOM 319 O GLU A 24 10.781 8.050 0.121 1.00 0.00 O ATOM 320 CB GLU A 24 12.548 5.139 0.636 1.00 0.00 C ATOM 321 CG GLU A 24 13.548 5.928 -0.192 1.00 0.00 C ATOM 322 CD GLU A 24 14.379 5.043 -1.102 1.00 0.00 C ATOM 323 OE1 GLU A 24 14.642 3.883 -0.724 1.00 0.00 O ATOM 324 OE2 GLU A 24 14.765 5.512 -2.193 1.00 0.00 O ATOM 0 H GLU A 24 10.744 4.224 2.106 1.00 0.00 H new ATOM 0 HA GLU A 24 11.801 6.668 1.947 1.00 0.00 H new ATOM 0 HB2 GLU A 24 13.071 4.663 1.465 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.131 4.341 0.022 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.015 6.664 -0.794 1.00 0.00 H new ATOM 0 HG3 GLU A 24 14.210 6.481 0.474 1.00 0.00 H new ATOM 331 N LEU A 25 10.259 6.137 -0.942 1.00 0.00 N ATOM 332 CA LEU A 25 9.635 6.809 -2.076 1.00 0.00 C ATOM 333 C LEU A 25 8.667 7.889 -1.604 1.00 0.00 C ATOM 334 O LEU A 25 8.911 9.082 -1.793 1.00 0.00 O ATOM 335 CB LEU A 25 8.898 5.795 -2.953 1.00 0.00 C ATOM 336 CG LEU A 25 9.757 4.690 -3.567 1.00 0.00 C ATOM 337 CD1 LEU A 25 8.936 3.426 -3.769 1.00 0.00 C ATOM 338 CD2 LEU A 25 10.359 5.153 -4.886 1.00 0.00 C ATOM 0 H LEU A 25 10.253 5.119 -1.000 1.00 0.00 H new ATOM 0 HA LEU A 25 10.421 7.284 -2.663 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.115 5.329 -2.355 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.404 6.335 -3.761 1.00 0.00 H new ATOM 0 HG LEU A 25 10.571 4.464 -2.878 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.564 2.650 -4.207 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.553 3.083 -2.808 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.101 3.637 -4.437 1.00 0.00 H new ATOM 0 HD21 LEU A 25 10.967 4.354 -5.309 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.559 5.407 -5.582 1.00 0.00 H new ATOM 0 HD23 LEU A 25 10.982 6.031 -4.713 1.00 0.00 H new ATOM 350 N LEU A 26 7.570 7.464 -0.988 1.00 0.00 N ATOM 351 CA LEU A 26 6.565 8.395 -0.486 1.00 0.00 C ATOM 352 C LEU A 26 7.222 9.630 0.123 1.00 0.00 C ATOM 353 O LEU A 26 7.088 10.737 -0.396 1.00 0.00 O ATOM 354 CB LEU A 26 5.680 7.708 0.555 1.00 0.00 C ATOM 355 CG LEU A 26 4.511 6.890 0.007 1.00 0.00 C ATOM 356 CD1 LEU A 26 5.010 5.589 -0.604 1.00 0.00 C ATOM 357 CD2 LEU A 26 3.494 6.609 1.105 1.00 0.00 C ATOM 0 H LEU A 26 7.353 6.481 -0.824 1.00 0.00 H new ATOM 0 HA LEU A 26 5.947 8.712 -1.326 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.306 7.051 1.158 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.282 8.471 1.224 1.00 0.00 H new ATOM 0 HG LEU A 26 4.021 7.471 -0.774 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.164 5.020 -0.989 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.699 5.811 -1.419 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.525 5.003 0.158 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.669 6.026 0.696 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.972 6.048 1.909 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.112 7.552 1.497 1.00 0.00 H new ATOM 369 N SER A 27 7.935 9.430 1.227 1.00 0.00 N ATOM 370 CA SER A 27 8.613 10.527 1.909 1.00 0.00 C ATOM 371 C SER A 27 9.270 11.468 0.903 1.00 0.00 C ATOM 372 O SER A 27 8.895 12.635 0.793 1.00 0.00 O ATOM 373 CB SER A 27 9.665 9.982 2.877 1.00 0.00 C ATOM 374 OG SER A 27 10.368 11.035 3.512 1.00 0.00 O ATOM 0 H SER A 27 8.058 8.519 1.668 1.00 0.00 H new ATOM 0 HA SER A 27 7.868 11.088 2.473 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.183 9.357 3.629 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.366 9.346 2.337 1.00 0.00 H new ATOM 0 HG SER A 27 11.033 10.660 4.127 1.00 0.00 H new ATOM 380 N ARG A 28 10.251 10.950 0.172 1.00 0.00 N ATOM 381 CA ARG A 28 10.962 11.743 -0.824 1.00 0.00 C ATOM 382 C ARG A 28 9.987 12.571 -1.657 1.00 0.00 C ATOM 383 O ARG A 28 10.022 13.801 -1.634 1.00 0.00 O ATOM 384 CB ARG A 28 11.786 10.835 -1.738 1.00 0.00 C ATOM 385 CG ARG A 28 13.006 10.234 -1.059 1.00 0.00 C ATOM 386 CD ARG A 28 13.740 9.273 -1.981 1.00 0.00 C ATOM 387 NE ARG A 28 14.590 9.976 -2.939 1.00 0.00 N ATOM 388 CZ ARG A 28 15.277 9.365 -3.898 1.00 0.00 C ATOM 389 NH1 ARG A 28 15.215 8.047 -4.026 1.00 0.00 N ATOM 390 NH2 ARG A 28 16.029 10.074 -4.731 1.00 0.00 N ATOM 0 H ARG A 28 10.572 9.985 0.250 1.00 0.00 H new ATOM 0 HA ARG A 28 11.633 12.423 -0.298 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.150 10.029 -2.104 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.109 11.406 -2.608 1.00 0.00 H new ATOM 0 HG2 ARG A 28 13.682 11.032 -0.750 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.699 9.709 -0.155 1.00 0.00 H new ATOM 0 HD2 ARG A 28 14.350 8.594 -1.385 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.015 8.662 -2.519 1.00 0.00 H new ATOM 0 HE ARG A 28 14.660 10.991 -2.868 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.639 7.499 -3.387 1.00 0.00 H new ATOM 0 HH12 ARG A 28 15.744 7.581 -4.763 1.00 0.00 H new ATOM 0 HH21 ARG A 28 16.080 11.088 -4.635 1.00 0.00 H new ATOM 0 HH22 ARG A 28 16.556 9.605 -5.467 1.00 0.00 H new ATOM 404 N THR A 29 9.116 11.886 -2.392 1.00 0.00 N ATOM 405 CA THR A 29 8.133 12.557 -3.234 1.00 0.00 C ATOM 406 C THR A 29 7.437 13.682 -2.477 1.00 0.00 C ATOM 407 O THR A 29 7.505 14.845 -2.873 1.00 0.00 O ATOM 408 CB THR A 29 7.070 11.569 -3.752 1.00 0.00 C ATOM 409 OG1 THR A 29 7.706 10.453 -4.386 1.00 0.00 O ATOM 410 CG2 THR A 29 6.133 12.251 -4.737 1.00 0.00 C ATOM 0 H THR A 29 9.071 10.867 -2.421 1.00 0.00 H new ATOM 0 HA THR A 29 8.676 12.975 -4.082 1.00 0.00 H new ATOM 0 HB THR A 29 6.486 11.219 -2.901 1.00 0.00 H new ATOM 0 HG1 THR A 29 7.024 9.829 -4.711 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.391 11.534 -5.089 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.629 13.082 -4.244 1.00 0.00 H new ATOM 0 HG23 THR A 29 6.706 12.626 -5.585 1.00 0.00 H new ATOM 418 N GLY A 30 6.769 13.329 -1.383 1.00 0.00 N ATOM 419 CA GLY A 30 6.071 14.321 -0.587 1.00 0.00 C ATOM 420 C GLY A 30 4.898 14.936 -1.325 1.00 0.00 C ATOM 421 O GLY A 30 4.832 16.153 -1.497 1.00 0.00 O ATOM 0 H GLY A 30 6.699 12.373 -1.034 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.715 13.859 0.334 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.768 15.108 -0.300 1.00 0.00 H new ATOM 425 N LYS A 31 3.970 14.093 -1.765 1.00 0.00 N ATOM 426 CA LYS A 31 2.794 14.559 -2.489 1.00 0.00 C ATOM 427 C LYS A 31 1.513 14.143 -1.772 1.00 0.00 C ATOM 428 O LYS A 31 1.477 13.119 -1.089 1.00 0.00 O ATOM 429 CB LYS A 31 2.795 14.004 -3.916 1.00 0.00 C ATOM 430 CG LYS A 31 3.642 14.814 -4.882 1.00 0.00 C ATOM 431 CD LYS A 31 3.236 14.564 -6.325 1.00 0.00 C ATOM 432 CE LYS A 31 3.902 13.315 -6.883 1.00 0.00 C ATOM 433 NZ LYS A 31 5.237 13.615 -7.469 1.00 0.00 N ATOM 0 H LYS A 31 4.010 13.082 -1.632 1.00 0.00 H new ATOM 0 HA LYS A 31 2.831 15.648 -2.529 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.161 12.977 -3.898 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.770 13.970 -4.285 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.542 15.875 -4.654 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.693 14.557 -4.749 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.153 14.458 -6.386 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.507 15.426 -6.935 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.011 12.576 -6.089 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.262 12.872 -7.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.730 12.725 -7.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.117 14.164 -8.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.799 14.166 -6.789 1.00 0.00 H new ATOM 447 N ASP A 32 0.464 14.942 -1.933 1.00 0.00 N ATOM 448 CA ASP A 32 -0.819 14.655 -1.303 1.00 0.00 C ATOM 449 C ASP A 32 -1.639 13.691 -2.155 1.00 0.00 C ATOM 450 O ASP A 32 -2.821 13.920 -2.407 1.00 0.00 O ATOM 451 CB ASP A 32 -1.602 15.950 -1.080 1.00 0.00 C ATOM 452 CG ASP A 32 -2.831 15.742 -0.217 1.00 0.00 C ATOM 453 OD1 ASP A 32 -2.767 14.915 0.716 1.00 0.00 O ATOM 454 OD2 ASP A 32 -3.857 16.405 -0.475 1.00 0.00 O ATOM 0 H ASP A 32 0.477 15.793 -2.494 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.626 14.185 -0.339 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.952 16.688 -0.610 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.904 16.359 -2.044 1.00 0.00 H new ATOM 459 N GLY A 33 -1.002 12.611 -2.597 1.00 0.00 N ATOM 460 CA GLY A 33 -1.687 11.629 -3.416 1.00 0.00 C ATOM 461 C GLY A 33 -0.771 10.509 -3.867 1.00 0.00 C ATOM 462 O GLY A 33 -0.955 9.942 -4.944 1.00 0.00 O ATOM 0 H GLY A 33 -0.023 12.399 -2.402 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.520 11.208 -2.853 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.111 12.122 -4.291 1.00 0.00 H new ATOM 466 N SER A 34 0.221 10.189 -3.041 1.00 0.00 N ATOM 467 CA SER A 34 1.174 9.133 -3.363 1.00 0.00 C ATOM 468 C SER A 34 0.754 7.811 -2.727 1.00 0.00 C ATOM 469 O SER A 34 0.403 7.760 -1.549 1.00 0.00 O ATOM 470 CB SER A 34 2.576 9.519 -2.887 1.00 0.00 C ATOM 471 OG SER A 34 2.972 10.767 -3.428 1.00 0.00 O ATOM 0 H SER A 34 0.385 10.646 -2.144 1.00 0.00 H new ATOM 0 HA SER A 34 1.188 9.007 -4.446 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.593 9.569 -1.798 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.289 8.749 -3.182 1.00 0.00 H new ATOM 0 HG SER A 34 3.870 10.992 -3.108 1.00 0.00 H new ATOM 477 N PHE A 35 0.794 6.743 -3.517 1.00 0.00 N ATOM 478 CA PHE A 35 0.417 5.420 -3.033 1.00 0.00 C ATOM 479 C PHE A 35 1.190 4.331 -3.772 1.00 0.00 C ATOM 480 O PHE A 35 1.814 4.586 -4.802 1.00 0.00 O ATOM 481 CB PHE A 35 -1.087 5.200 -3.205 1.00 0.00 C ATOM 482 CG PHE A 35 -1.473 4.748 -4.584 1.00 0.00 C ATOM 483 CD1 PHE A 35 -1.740 5.672 -5.581 1.00 0.00 C ATOM 484 CD2 PHE A 35 -1.570 3.398 -4.883 1.00 0.00 C ATOM 485 CE1 PHE A 35 -2.095 5.259 -6.852 1.00 0.00 C ATOM 486 CE2 PHE A 35 -1.924 2.980 -6.152 1.00 0.00 C ATOM 487 CZ PHE A 35 -2.189 3.911 -7.137 1.00 0.00 C ATOM 0 H PHE A 35 1.084 6.768 -4.495 1.00 0.00 H new ATOM 0 HA PHE A 35 0.666 5.363 -1.973 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -1.423 4.458 -2.481 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.610 6.128 -2.976 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.670 6.727 -5.363 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.367 2.665 -4.116 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.298 5.990 -7.621 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -1.993 1.925 -6.373 1.00 0.00 H new ATOM 0 HZ PHE A 35 -2.469 3.586 -8.128 1.00 0.00 H new ATOM 497 N LEU A 36 1.142 3.115 -3.238 1.00 0.00 N ATOM 498 CA LEU A 36 1.837 1.985 -3.845 1.00 0.00 C ATOM 499 C LEU A 36 1.474 0.681 -3.142 1.00 0.00 C ATOM 500 O LEU A 36 0.851 0.689 -2.080 1.00 0.00 O ATOM 501 CB LEU A 36 3.350 2.203 -3.790 1.00 0.00 C ATOM 502 CG LEU A 36 3.950 2.408 -2.398 1.00 0.00 C ATOM 503 CD1 LEU A 36 4.137 1.072 -1.696 1.00 0.00 C ATOM 504 CD2 LEU A 36 5.272 3.154 -2.492 1.00 0.00 C ATOM 0 H LEU A 36 0.629 2.887 -2.386 1.00 0.00 H new ATOM 0 HA LEU A 36 1.524 1.914 -4.887 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.837 1.344 -4.251 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.594 3.073 -4.400 1.00 0.00 H new ATOM 0 HG LEU A 36 3.258 3.010 -1.809 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.565 1.237 -0.707 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.172 0.576 -1.595 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.809 0.444 -2.282 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.684 3.291 -1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.972 2.579 -3.098 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.108 4.128 -2.953 1.00 0.00 H new ATOM 516 N VAL A 37 1.871 -0.438 -3.740 1.00 0.00 N ATOM 517 CA VAL A 37 1.590 -1.750 -3.170 1.00 0.00 C ATOM 518 C VAL A 37 2.842 -2.619 -3.149 1.00 0.00 C ATOM 519 O VAL A 37 3.635 -2.606 -4.091 1.00 0.00 O ATOM 520 CB VAL A 37 0.485 -2.479 -3.957 1.00 0.00 C ATOM 521 CG1 VAL A 37 0.216 -3.850 -3.355 1.00 0.00 C ATOM 522 CG2 VAL A 37 -0.785 -1.644 -3.990 1.00 0.00 C ATOM 0 H VAL A 37 2.388 -0.462 -4.619 1.00 0.00 H new ATOM 0 HA VAL A 37 1.249 -1.585 -2.148 1.00 0.00 H new ATOM 0 HB VAL A 37 0.826 -2.620 -4.983 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.568 -4.350 -3.924 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.127 -4.448 -3.389 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.104 -3.736 -2.319 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.555 -2.175 -4.550 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.132 -1.470 -2.972 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.580 -0.688 -4.472 1.00 0.00 H new ATOM 532 N ARG A 38 3.014 -3.375 -2.069 1.00 0.00 N ATOM 533 CA ARG A 38 4.170 -4.250 -1.925 1.00 0.00 C ATOM 534 C ARG A 38 3.771 -5.578 -1.287 1.00 0.00 C ATOM 535 O ARG A 38 2.764 -5.662 -0.585 1.00 0.00 O ATOM 536 CB ARG A 38 5.249 -3.570 -1.081 1.00 0.00 C ATOM 537 CG ARG A 38 4.803 -3.253 0.337 1.00 0.00 C ATOM 538 CD ARG A 38 5.991 -2.992 1.250 1.00 0.00 C ATOM 539 NE ARG A 38 6.642 -4.231 1.669 1.00 0.00 N ATOM 540 CZ ARG A 38 6.171 -5.019 2.629 1.00 0.00 C ATOM 541 NH1 ARG A 38 5.053 -4.699 3.266 1.00 0.00 N ATOM 542 NH2 ARG A 38 6.820 -6.130 2.955 1.00 0.00 N ATOM 0 H ARG A 38 2.367 -3.399 -1.281 1.00 0.00 H new ATOM 0 HA ARG A 38 4.569 -4.450 -2.919 1.00 0.00 H new ATOM 0 HB2 ARG A 38 6.127 -4.215 -1.041 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.554 -2.646 -1.572 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.151 -2.379 0.328 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.217 -4.084 0.729 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.713 -2.360 0.733 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.658 -2.442 2.130 1.00 0.00 H new ATOM 0 HE ARG A 38 7.505 -4.506 1.199 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.552 -3.846 3.019 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.694 -5.306 4.003 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.681 -6.379 2.468 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.458 -6.735 3.692 1.00 0.00 H new ATOM 556 N ALA A 39 4.568 -6.612 -1.536 1.00 0.00 N ATOM 557 CA ALA A 39 4.299 -7.934 -0.985 1.00 0.00 C ATOM 558 C ALA A 39 4.798 -8.042 0.452 1.00 0.00 C ATOM 559 O ALA A 39 5.887 -7.569 0.778 1.00 0.00 O ATOM 560 CB ALA A 39 4.942 -9.007 -1.851 1.00 0.00 C ATOM 0 H ALA A 39 5.405 -6.559 -2.116 1.00 0.00 H new ATOM 0 HA ALA A 39 3.220 -8.085 -0.979 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.733 -9.990 -1.428 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.534 -8.953 -2.860 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.020 -8.849 -1.886 1.00 0.00 H new ATOM 566 N SER A 40 3.995 -8.666 1.308 1.00 0.00 N ATOM 567 CA SER A 40 4.353 -8.831 2.711 1.00 0.00 C ATOM 568 C SER A 40 5.280 -10.029 2.898 1.00 0.00 C ATOM 569 O SER A 40 4.826 -11.168 3.001 1.00 0.00 O ATOM 570 CB SER A 40 3.095 -9.008 3.563 1.00 0.00 C ATOM 571 OG SER A 40 3.363 -8.746 4.930 1.00 0.00 O ATOM 0 H SER A 40 3.092 -9.066 1.054 1.00 0.00 H new ATOM 0 HA SER A 40 4.879 -7.933 3.034 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.314 -8.336 3.207 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.717 -10.024 3.452 1.00 0.00 H new ATOM 0 HG SER A 40 2.543 -8.864 5.453 1.00 0.00 H new ATOM 657 N ALA A 46 -0.625 -12.060 1.592 1.00 0.00 N ATOM 658 CA ALA A 46 -0.969 -10.734 2.089 1.00 0.00 C ATOM 659 C ALA A 46 -0.172 -9.653 1.365 1.00 0.00 C ATOM 660 O ALA A 46 0.921 -9.908 0.859 1.00 0.00 O ATOM 661 CB ALA A 46 -0.729 -10.653 3.589 1.00 0.00 C ATOM 0 HA ALA A 46 -2.027 -10.563 1.892 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.990 -9.657 3.946 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.346 -11.394 4.097 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.322 -10.850 3.800 1.00 0.00 H new ATOM 667 N TYR A 47 -0.727 -8.447 1.318 1.00 0.00 N ATOM 668 CA TYR A 47 -0.070 -7.329 0.653 1.00 0.00 C ATOM 669 C TYR A 47 -0.096 -6.081 1.531 1.00 0.00 C ATOM 670 O TYR A 47 -0.671 -6.086 2.619 1.00 0.00 O ATOM 671 CB TYR A 47 -0.745 -7.037 -0.688 1.00 0.00 C ATOM 672 CG TYR A 47 -0.399 -8.034 -1.770 1.00 0.00 C ATOM 673 CD1 TYR A 47 -1.075 -9.244 -1.868 1.00 0.00 C ATOM 674 CD2 TYR A 47 0.604 -7.768 -2.693 1.00 0.00 C ATOM 675 CE1 TYR A 47 -0.762 -10.159 -2.855 1.00 0.00 C ATOM 676 CE2 TYR A 47 0.922 -8.676 -3.684 1.00 0.00 C ATOM 677 CZ TYR A 47 0.237 -9.870 -3.761 1.00 0.00 C ATOM 678 OH TYR A 47 0.552 -10.779 -4.745 1.00 0.00 O ATOM 0 H TYR A 47 -1.631 -8.219 1.733 1.00 0.00 H new ATOM 0 HA TYR A 47 0.969 -7.605 0.476 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.826 -7.027 -0.547 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.458 -6.039 -1.020 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.858 -9.473 -1.161 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.145 -6.835 -2.635 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.297 -11.095 -2.917 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.703 -8.452 -4.395 1.00 0.00 H new ATOM 0 HH TYR A 47 1.276 -10.422 -5.300 1.00 0.00 H new ATOM 688 N ALA A 48 0.531 -5.013 1.049 1.00 0.00 N ATOM 689 CA ALA A 48 0.578 -3.757 1.787 1.00 0.00 C ATOM 690 C ALA A 48 0.371 -2.566 0.858 1.00 0.00 C ATOM 691 O ALA A 48 1.141 -2.356 -0.080 1.00 0.00 O ATOM 692 CB ALA A 48 1.902 -3.628 2.526 1.00 0.00 C ATOM 0 H ALA A 48 1.013 -4.993 0.151 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.233 -3.762 2.515 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.923 -2.685 3.073 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.010 -4.456 3.226 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.723 -3.650 1.809 1.00 0.00 H new ATOM 698 N LEU A 49 -0.674 -1.790 1.123 1.00 0.00 N ATOM 699 CA LEU A 49 -0.984 -0.619 0.309 1.00 0.00 C ATOM 700 C LEU A 49 -0.627 0.667 1.047 1.00 0.00 C ATOM 701 O LEU A 49 -1.417 1.177 1.843 1.00 0.00 O ATOM 702 CB LEU A 49 -2.467 -0.611 -0.065 1.00 0.00 C ATOM 703 CG LEU A 49 -2.990 0.674 -0.708 1.00 0.00 C ATOM 704 CD1 LEU A 49 -2.371 0.874 -2.082 1.00 0.00 C ATOM 705 CD2 LEU A 49 -4.508 0.642 -0.804 1.00 0.00 C ATOM 0 H LEU A 49 -1.321 -1.950 1.895 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.387 -0.672 -0.601 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.653 -1.438 -0.750 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.049 -0.806 0.836 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.703 1.516 -0.078 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.755 1.793 -2.524 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.287 0.943 -1.986 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.626 0.030 -2.722 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.863 1.564 -1.264 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.816 -0.209 -1.412 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.934 0.547 0.195 1.00 0.00 H new ATOM 717 N CYS A 50 0.565 1.187 0.777 1.00 0.00 N ATOM 718 CA CYS A 50 1.026 2.415 1.415 1.00 0.00 C ATOM 719 C CYS A 50 0.469 3.641 0.700 1.00 0.00 C ATOM 720 O CYS A 50 0.439 3.695 -0.530 1.00 0.00 O ATOM 721 CB CYS A 50 2.554 2.466 1.426 1.00 0.00 C ATOM 722 SG CYS A 50 3.333 1.079 2.287 1.00 0.00 S ATOM 0 H CYS A 50 1.230 0.778 0.121 1.00 0.00 H new ATOM 0 HA CYS A 50 0.663 2.420 2.443 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.913 2.489 0.397 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.872 3.397 1.896 1.00 0.00 H new ATOM 0 HG CYS A 50 4.550 1.399 2.614 1.00 0.00 H new ATOM 728 N VAL A 51 0.028 4.625 1.478 1.00 0.00 N ATOM 729 CA VAL A 51 -0.529 5.851 0.918 1.00 0.00 C ATOM 730 C VAL A 51 -0.088 7.070 1.720 1.00 0.00 C ATOM 731 O VAL A 51 -0.462 7.232 2.882 1.00 0.00 O ATOM 732 CB VAL A 51 -2.068 5.803 0.882 1.00 0.00 C ATOM 733 CG1 VAL A 51 -2.632 7.130 0.397 1.00 0.00 C ATOM 734 CG2 VAL A 51 -2.545 4.657 0.003 1.00 0.00 C ATOM 0 H VAL A 51 0.046 4.597 2.497 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.152 5.934 -0.101 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.433 5.629 1.894 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.721 7.078 0.378 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.319 7.927 1.072 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.261 7.338 -0.607 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.635 4.638 -0.011 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.172 4.797 -1.011 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.171 3.714 0.400 1.00 0.00 H new ATOM 744 N LEU A 52 0.710 7.927 1.092 1.00 0.00 N ATOM 745 CA LEU A 52 1.203 9.134 1.747 1.00 0.00 C ATOM 746 C LEU A 52 0.086 10.161 1.908 1.00 0.00 C ATOM 747 O LEU A 52 -0.787 10.283 1.049 1.00 0.00 O ATOM 748 CB LEU A 52 2.355 9.739 0.943 1.00 0.00 C ATOM 749 CG LEU A 52 3.208 10.779 1.671 1.00 0.00 C ATOM 750 CD1 LEU A 52 3.807 10.187 2.937 1.00 0.00 C ATOM 751 CD2 LEU A 52 4.304 11.306 0.756 1.00 0.00 C ATOM 0 H LEU A 52 1.029 7.809 0.131 1.00 0.00 H new ATOM 0 HA LEU A 52 1.564 8.859 2.738 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.007 8.929 0.614 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.942 10.200 0.046 1.00 0.00 H new ATOM 0 HG LEU A 52 2.566 11.613 1.953 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.411 10.942 3.441 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.006 9.860 3.600 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.434 9.334 2.678 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.901 12.045 1.291 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.944 10.481 0.442 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.854 11.770 -0.121 1.00 0.00 H new ATOM 763 N TYR A 53 0.122 10.897 3.012 1.00 0.00 N ATOM 764 CA TYR A 53 -0.887 11.914 3.286 1.00 0.00 C ATOM 765 C TYR A 53 -0.488 12.767 4.487 1.00 0.00 C ATOM 766 O TYR A 53 0.051 12.261 5.471 1.00 0.00 O ATOM 767 CB TYR A 53 -2.245 11.258 3.541 1.00 0.00 C ATOM 768 CG TYR A 53 -3.401 12.233 3.521 1.00 0.00 C ATOM 769 CD1 TYR A 53 -4.047 12.549 2.332 1.00 0.00 C ATOM 770 CD2 TYR A 53 -3.846 12.838 4.690 1.00 0.00 C ATOM 771 CE1 TYR A 53 -5.103 13.439 2.309 1.00 0.00 C ATOM 772 CE2 TYR A 53 -4.902 13.728 4.676 1.00 0.00 C ATOM 773 CZ TYR A 53 -5.527 14.026 3.483 1.00 0.00 C ATOM 774 OH TYR A 53 -6.579 14.913 3.464 1.00 0.00 O ATOM 0 H TYR A 53 0.839 10.809 3.732 1.00 0.00 H new ATOM 0 HA TYR A 53 -0.962 12.561 2.412 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.415 10.490 2.787 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.221 10.756 4.508 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.718 12.091 1.411 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.358 12.608 5.626 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -5.594 13.674 1.376 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -5.237 14.188 5.594 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.752 15.235 4.373 1.00 0.00 H new ATOM 784 N ARG A 54 -0.758 14.066 4.397 1.00 0.00 N ATOM 785 CA ARG A 54 -0.428 14.991 5.474 1.00 0.00 C ATOM 786 C ARG A 54 0.918 14.638 6.100 1.00 0.00 C ATOM 787 O ARG A 54 1.035 14.525 7.320 1.00 0.00 O ATOM 788 CB ARG A 54 -1.521 14.972 6.544 1.00 0.00 C ATOM 789 CG ARG A 54 -2.842 15.563 6.076 1.00 0.00 C ATOM 790 CD ARG A 54 -2.935 17.046 6.401 1.00 0.00 C ATOM 791 NE ARG A 54 -2.341 17.874 5.355 1.00 0.00 N ATOM 792 CZ ARG A 54 -1.067 18.252 5.352 1.00 0.00 C ATOM 793 NH1 ARG A 54 -0.259 17.878 6.334 1.00 0.00 N ATOM 794 NH2 ARG A 54 -0.601 19.006 4.365 1.00 0.00 N ATOM 0 H ARG A 54 -1.204 14.501 3.589 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.361 15.993 5.051 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.686 13.943 6.865 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.174 15.526 7.416 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.946 15.418 5.001 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.668 15.033 6.551 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.981 17.323 6.533 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.432 17.242 7.348 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.936 18.179 4.585 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.615 17.299 7.094 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.718 18.170 6.329 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.221 19.296 3.608 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.377 19.296 4.363 1.00 0.00 H new ATOM 808 N ASN A 55 1.930 14.465 5.257 1.00 0.00 N ATOM 809 CA ASN A 55 3.268 14.124 5.728 1.00 0.00 C ATOM 810 C ASN A 55 3.232 12.884 6.615 1.00 0.00 C ATOM 811 O ASN A 55 3.791 12.876 7.712 1.00 0.00 O ATOM 812 CB ASN A 55 3.875 15.299 6.498 1.00 0.00 C ATOM 813 CG ASN A 55 4.213 16.469 5.595 1.00 0.00 C ATOM 814 OD1 ASN A 55 3.513 17.481 5.583 1.00 0.00 O ATOM 815 ND2 ASN A 55 5.292 16.335 4.833 1.00 0.00 N ATOM 0 H ASN A 55 1.850 14.555 4.244 1.00 0.00 H new ATOM 0 HA ASN A 55 3.889 13.909 4.858 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.175 15.627 7.266 1.00 0.00 H new ATOM 0 HB3 ASN A 55 4.778 14.966 7.011 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.570 17.089 4.205 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.843 15.478 4.876 1.00 0.00 H new ATOM 822 N CYS A 56 2.572 11.837 6.133 1.00 0.00 N ATOM 823 CA CYS A 56 2.463 10.590 6.882 1.00 0.00 C ATOM 824 C CYS A 56 2.132 9.425 5.954 1.00 0.00 C ATOM 825 O CYS A 56 1.383 9.580 4.989 1.00 0.00 O ATOM 826 CB CYS A 56 1.391 10.714 7.966 1.00 0.00 C ATOM 827 SG CYS A 56 1.996 11.398 9.527 1.00 0.00 S ATOM 0 H CYS A 56 2.104 11.827 5.227 1.00 0.00 H new ATOM 0 HA CYS A 56 3.426 10.393 7.354 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.584 11.345 7.594 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.964 9.729 8.154 1.00 0.00 H new ATOM 0 HG CYS A 56 2.981 12.213 9.291 1.00 0.00 H new ATOM 833 N VAL A 57 2.697 8.260 6.252 1.00 0.00 N ATOM 834 CA VAL A 57 2.463 7.068 5.444 1.00 0.00 C ATOM 835 C VAL A 57 1.332 6.226 6.023 1.00 0.00 C ATOM 836 O VAL A 57 1.371 5.831 7.188 1.00 0.00 O ATOM 837 CB VAL A 57 3.732 6.202 5.341 1.00 0.00 C ATOM 838 CG1 VAL A 57 3.452 4.938 4.543 1.00 0.00 C ATOM 839 CG2 VAL A 57 4.869 6.996 4.715 1.00 0.00 C ATOM 0 H VAL A 57 3.320 8.115 7.047 1.00 0.00 H new ATOM 0 HA VAL A 57 2.184 7.410 4.447 1.00 0.00 H new ATOM 0 HB VAL A 57 4.034 5.909 6.347 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.360 4.338 4.481 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.670 4.362 5.037 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.125 5.207 3.539 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.758 6.369 4.650 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.579 7.320 3.715 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.085 7.869 5.331 1.00 0.00 H new ATOM 849 N TYR A 58 0.324 5.954 5.201 1.00 0.00 N ATOM 850 CA TYR A 58 -0.820 5.159 5.631 1.00 0.00 C ATOM 851 C TYR A 58 -0.751 3.748 5.056 1.00 0.00 C ATOM 852 O TYR A 58 -1.319 3.465 4.001 1.00 0.00 O ATOM 853 CB TYR A 58 -2.125 5.833 5.204 1.00 0.00 C ATOM 854 CG TYR A 58 -2.462 7.067 6.009 1.00 0.00 C ATOM 855 CD1 TYR A 58 -1.595 8.152 6.049 1.00 0.00 C ATOM 856 CD2 TYR A 58 -3.646 7.149 6.730 1.00 0.00 C ATOM 857 CE1 TYR A 58 -1.898 9.282 6.784 1.00 0.00 C ATOM 858 CE2 TYR A 58 -3.958 8.275 7.467 1.00 0.00 C ATOM 859 CZ TYR A 58 -3.081 9.339 7.491 1.00 0.00 C ATOM 860 OH TYR A 58 -3.387 10.462 8.224 1.00 0.00 O ATOM 0 H TYR A 58 0.276 6.273 4.233 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.793 5.089 6.718 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -2.056 6.105 4.151 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.941 5.116 5.295 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -0.668 8.111 5.496 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -4.335 6.318 6.714 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -1.212 10.116 6.805 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -4.884 8.322 8.021 1.00 0.00 H new ATOM 0 HH TYR A 58 -4.256 10.341 8.661 1.00 0.00 H new ATOM 870 N THR A 59 -0.050 2.863 5.759 1.00 0.00 N ATOM 871 CA THR A 59 0.096 1.481 5.320 1.00 0.00 C ATOM 872 C THR A 59 -1.199 0.702 5.519 1.00 0.00 C ATOM 873 O THR A 59 -1.606 0.434 6.650 1.00 0.00 O ATOM 874 CB THR A 59 1.233 0.768 6.077 1.00 0.00 C ATOM 875 OG1 THR A 59 2.405 1.591 6.088 1.00 0.00 O ATOM 876 CG2 THR A 59 1.554 -0.572 5.433 1.00 0.00 C ATOM 0 H THR A 59 0.425 3.079 6.635 1.00 0.00 H new ATOM 0 HA THR A 59 0.340 1.510 4.258 1.00 0.00 H new ATOM 0 HB THR A 59 0.904 0.591 7.101 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.123 1.132 6.572 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.359 -1.057 5.984 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.668 -1.206 5.452 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.865 -0.414 4.400 1.00 0.00 H new ATOM 884 N TYR A 60 -1.842 0.340 4.415 1.00 0.00 N ATOM 885 CA TYR A 60 -3.092 -0.408 4.469 1.00 0.00 C ATOM 886 C TYR A 60 -2.853 -1.890 4.198 1.00 0.00 C ATOM 887 O TYR A 60 -3.021 -2.363 3.074 1.00 0.00 O ATOM 888 CB TYR A 60 -4.090 0.152 3.454 1.00 0.00 C ATOM 889 CG TYR A 60 -4.777 1.418 3.915 1.00 0.00 C ATOM 890 CD1 TYR A 60 -5.741 1.384 4.916 1.00 0.00 C ATOM 891 CD2 TYR A 60 -4.461 2.648 3.351 1.00 0.00 C ATOM 892 CE1 TYR A 60 -6.371 2.538 5.339 1.00 0.00 C ATOM 893 CE2 TYR A 60 -5.085 3.807 3.770 1.00 0.00 C ATOM 894 CZ TYR A 60 -6.040 3.747 4.764 1.00 0.00 C ATOM 895 OH TYR A 60 -6.664 4.899 5.184 1.00 0.00 O ATOM 0 H TYR A 60 -1.518 0.552 3.471 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.505 -0.303 5.472 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -3.569 0.352 2.517 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.845 -0.605 3.244 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.002 0.440 5.370 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.715 2.699 2.572 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -7.119 2.494 6.116 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.827 4.755 3.322 1.00 0.00 H new ATOM 0 HH TYR A 60 -6.315 5.663 4.679 1.00 0.00 H new ATOM 905 N ARG A 61 -2.460 -2.619 5.238 1.00 0.00 N ATOM 906 CA ARG A 61 -2.196 -4.047 5.114 1.00 0.00 C ATOM 907 C ARG A 61 -3.399 -4.772 4.517 1.00 0.00 C ATOM 908 O ARG A 61 -4.493 -4.749 5.082 1.00 0.00 O ATOM 909 CB ARG A 61 -1.854 -4.645 6.480 1.00 0.00 C ATOM 910 CG ARG A 61 -0.376 -4.567 6.826 1.00 0.00 C ATOM 911 CD ARG A 61 0.012 -5.617 7.855 1.00 0.00 C ATOM 912 NE ARG A 61 -0.180 -5.141 9.222 1.00 0.00 N ATOM 913 CZ ARG A 61 -0.059 -5.915 10.294 1.00 0.00 C ATOM 914 NH1 ARG A 61 0.253 -7.197 10.158 1.00 0.00 N ATOM 915 NH2 ARG A 61 -0.249 -5.408 11.506 1.00 0.00 N ATOM 0 H ARG A 61 -2.318 -2.244 6.176 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.345 -4.177 4.445 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.426 -4.125 7.248 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.169 -5.688 6.499 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.218 -4.705 5.922 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.144 -3.575 7.212 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.583 -6.516 7.697 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.056 -5.897 7.712 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.420 -4.160 9.361 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.401 -7.590 9.228 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.345 -7.790 10.983 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.488 -4.422 11.615 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.156 -6.004 12.329 1.00 0.00 H new ATOM 929 N ILE A 62 -3.188 -5.414 3.373 1.00 0.00 N ATOM 930 CA ILE A 62 -4.254 -6.145 2.700 1.00 0.00 C ATOM 931 C ILE A 62 -4.203 -7.630 3.043 1.00 0.00 C ATOM 932 O ILE A 62 -3.429 -8.388 2.457 1.00 0.00 O ATOM 933 CB ILE A 62 -4.173 -5.980 1.171 1.00 0.00 C ATOM 934 CG1 ILE A 62 -4.221 -4.498 0.793 1.00 0.00 C ATOM 935 CG2 ILE A 62 -5.302 -6.742 0.495 1.00 0.00 C ATOM 936 CD1 ILE A 62 -2.856 -3.852 0.703 1.00 0.00 C ATOM 0 H ILE A 62 -2.288 -5.443 2.893 1.00 0.00 H new ATOM 0 HA ILE A 62 -5.196 -5.724 3.053 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.225 -6.393 0.826 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -4.728 -4.392 -0.166 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -4.819 -3.963 1.530 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.231 -6.615 -0.585 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.225 -7.801 0.742 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -6.260 -6.357 0.843 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.967 -2.802 0.431 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.354 -3.926 1.668 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.261 -4.362 -0.055 1.00 0.00 H new ATOM 948 N LEU A 63 -5.034 -8.041 3.995 1.00 0.00 N ATOM 949 CA LEU A 63 -5.086 -9.436 4.416 1.00 0.00 C ATOM 950 C LEU A 63 -6.272 -10.154 3.779 1.00 0.00 C ATOM 951 O LEU A 63 -7.361 -9.598 3.635 1.00 0.00 O ATOM 952 CB LEU A 63 -5.179 -9.527 5.940 1.00 0.00 C ATOM 953 CG LEU A 63 -3.909 -9.170 6.713 1.00 0.00 C ATOM 954 CD1 LEU A 63 -2.792 -10.149 6.386 1.00 0.00 C ATOM 955 CD2 LEU A 63 -3.479 -7.744 6.402 1.00 0.00 C ATOM 0 H LEU A 63 -5.681 -7.427 4.490 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.169 -9.923 4.085 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.981 -8.869 6.275 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.469 -10.544 6.206 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.124 -9.239 7.779 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.896 -9.879 6.945 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.101 -11.158 6.660 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.577 -10.113 5.318 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.574 -7.507 6.961 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.282 -7.648 5.334 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.273 -7.054 6.688 1.00 0.00 H new ATOM 967 N PRO A 64 -6.058 -11.419 3.389 1.00 0.00 N ATOM 968 CA PRO A 64 -7.099 -12.241 2.763 1.00 0.00 C ATOM 969 C PRO A 64 -8.201 -12.625 3.744 1.00 0.00 C ATOM 970 O PRO A 64 -7.955 -13.323 4.726 1.00 0.00 O ATOM 971 CB PRO A 64 -6.337 -13.485 2.299 1.00 0.00 C ATOM 972 CG PRO A 64 -5.157 -13.566 3.205 1.00 0.00 C ATOM 973 CD PRO A 64 -4.785 -12.145 3.529 1.00 0.00 C ATOM 0 HA PRO A 64 -7.608 -11.712 1.957 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.956 -14.379 2.374 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.031 -13.396 1.257 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.398 -14.122 4.111 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.329 -14.086 2.722 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.380 -12.055 4.537 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.027 -11.762 2.846 1.00 0.00 H new ATOM 981 N ASN A 65 -9.418 -12.166 3.469 1.00 0.00 N ATOM 982 CA ASN A 65 -10.559 -12.462 4.328 1.00 0.00 C ATOM 983 C ASN A 65 -10.801 -13.966 4.410 1.00 0.00 C ATOM 984 O ASN A 65 -10.051 -14.758 3.841 1.00 0.00 O ATOM 985 CB ASN A 65 -11.813 -11.760 3.806 1.00 0.00 C ATOM 986 CG ASN A 65 -12.591 -12.617 2.826 1.00 0.00 C ATOM 987 OD1 ASN A 65 -12.024 -13.473 2.147 1.00 0.00 O ATOM 988 ND2 ASN A 65 -13.897 -12.390 2.749 1.00 0.00 N ATOM 0 H ASN A 65 -9.639 -11.588 2.658 1.00 0.00 H new ATOM 0 HA ASN A 65 -10.335 -12.092 5.329 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -12.456 -11.499 4.646 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -11.528 -10.826 3.321 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -14.473 -12.936 2.108 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -14.325 -11.670 3.331 1.00 0.00 H new ATOM 995 N GLU A 66 -11.856 -14.352 5.122 1.00 0.00 N ATOM 996 CA GLU A 66 -12.197 -15.761 5.277 1.00 0.00 C ATOM 997 C GLU A 66 -12.313 -16.447 3.919 1.00 0.00 C ATOM 998 O GLU A 66 -11.911 -17.599 3.757 1.00 0.00 O ATOM 999 CB GLU A 66 -13.511 -15.909 6.049 1.00 0.00 C ATOM 1000 CG GLU A 66 -14.602 -14.963 5.577 1.00 0.00 C ATOM 1001 CD GLU A 66 -15.980 -15.376 6.058 1.00 0.00 C ATOM 1002 OE1 GLU A 66 -16.139 -15.601 7.276 1.00 0.00 O ATOM 1003 OE2 GLU A 66 -16.898 -15.475 5.217 1.00 0.00 O ATOM 0 H GLU A 66 -12.488 -13.709 5.600 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.396 -16.241 5.840 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -13.865 -16.935 5.954 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -13.322 -15.734 7.108 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.384 -13.956 5.933 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.598 -14.924 4.488 1.00 0.00 H new ATOM 1010 N ASP A 67 -12.865 -15.730 2.947 1.00 0.00 N ATOM 1011 CA ASP A 67 -13.034 -16.268 1.601 1.00 0.00 C ATOM 1012 C ASP A 67 -11.746 -16.128 0.795 1.00 0.00 C ATOM 1013 O ASP A 67 -11.749 -16.275 -0.427 1.00 0.00 O ATOM 1014 CB ASP A 67 -14.180 -15.553 0.883 1.00 0.00 C ATOM 1015 CG ASP A 67 -15.535 -15.898 1.469 1.00 0.00 C ATOM 1016 OD1 ASP A 67 -15.576 -16.649 2.466 1.00 0.00 O ATOM 1017 OD2 ASP A 67 -16.554 -15.417 0.931 1.00 0.00 O ATOM 0 H ASP A 67 -13.203 -14.775 3.065 1.00 0.00 H new ATOM 0 HA ASP A 67 -13.275 -17.328 1.687 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -14.026 -14.476 0.942 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -14.166 -15.820 -0.174 1.00 0.00 H new ATOM 1022 N ASP A 68 -10.649 -15.844 1.487 1.00 0.00 N ATOM 1023 CA ASP A 68 -9.354 -15.685 0.836 1.00 0.00 C ATOM 1024 C ASP A 68 -9.410 -14.589 -0.224 1.00 0.00 C ATOM 1025 O ASP A 68 -8.674 -14.627 -1.211 1.00 0.00 O ATOM 1026 CB ASP A 68 -8.912 -17.004 0.201 1.00 0.00 C ATOM 1027 CG ASP A 68 -7.558 -16.899 -0.471 1.00 0.00 C ATOM 1028 OD1 ASP A 68 -6.681 -16.192 0.069 1.00 0.00 O ATOM 1029 OD2 ASP A 68 -7.374 -17.523 -1.537 1.00 0.00 O ATOM 0 H ASP A 68 -10.630 -15.719 2.499 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.627 -15.395 1.595 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.875 -17.778 0.968 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -9.655 -17.317 -0.533 1.00 0.00 H new ATOM 1034 N LYS A 69 -10.288 -13.615 -0.015 1.00 0.00 N ATOM 1035 CA LYS A 69 -10.442 -12.508 -0.952 1.00 0.00 C ATOM 1036 C LYS A 69 -9.596 -11.313 -0.525 1.00 0.00 C ATOM 1037 O LYS A 69 -9.488 -11.009 0.664 1.00 0.00 O ATOM 1038 CB LYS A 69 -11.912 -12.097 -1.051 1.00 0.00 C ATOM 1039 CG LYS A 69 -12.792 -13.141 -1.716 1.00 0.00 C ATOM 1040 CD LYS A 69 -12.726 -13.043 -3.231 1.00 0.00 C ATOM 1041 CE LYS A 69 -13.013 -14.384 -3.890 1.00 0.00 C ATOM 1042 NZ LYS A 69 -14.471 -14.592 -4.112 1.00 0.00 N ATOM 0 H LYS A 69 -10.905 -13.569 0.796 1.00 0.00 H new ATOM 0 HA LYS A 69 -10.099 -12.843 -1.931 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -12.293 -11.897 -0.049 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -11.983 -11.164 -1.611 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -12.479 -14.136 -1.401 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.823 -13.012 -1.387 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -13.446 -12.303 -3.580 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.738 -12.693 -3.531 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.489 -14.439 -4.844 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.623 -15.187 -3.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -14.625 -15.517 -4.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -14.969 -14.565 -3.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -14.839 -13.840 -4.729 1.00 0.00 H new ATOM 1056 N PHE A 70 -9.000 -10.636 -1.501 1.00 0.00 N ATOM 1057 CA PHE A 70 -8.165 -9.473 -1.225 1.00 0.00 C ATOM 1058 C PHE A 70 -9.020 -8.262 -0.864 1.00 0.00 C ATOM 1059 O PHE A 70 -9.586 -7.604 -1.738 1.00 0.00 O ATOM 1060 CB PHE A 70 -7.289 -9.149 -2.437 1.00 0.00 C ATOM 1061 CG PHE A 70 -6.200 -10.157 -2.677 1.00 0.00 C ATOM 1062 CD1 PHE A 70 -5.021 -10.107 -1.952 1.00 0.00 C ATOM 1063 CD2 PHE A 70 -6.357 -11.153 -3.626 1.00 0.00 C ATOM 1064 CE1 PHE A 70 -4.018 -11.032 -2.170 1.00 0.00 C ATOM 1065 CE2 PHE A 70 -5.358 -12.082 -3.849 1.00 0.00 C ATOM 1066 CZ PHE A 70 -4.187 -12.021 -3.119 1.00 0.00 C ATOM 0 H PHE A 70 -9.080 -10.873 -2.490 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.525 -9.710 -0.375 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.919 -9.088 -3.325 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.839 -8.166 -2.298 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.884 -9.336 -1.208 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.271 -11.205 -4.199 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.103 -10.982 -1.599 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.493 -12.854 -4.592 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.405 -12.746 -3.290 1.00 0.00 H new ATOM 1076 N THR A 71 -9.111 -7.974 0.430 1.00 0.00 N ATOM 1077 CA THR A 71 -9.898 -6.845 0.909 1.00 0.00 C ATOM 1078 C THR A 71 -9.101 -5.996 1.892 1.00 0.00 C ATOM 1079 O THR A 71 -8.874 -6.398 3.033 1.00 0.00 O ATOM 1080 CB THR A 71 -11.198 -7.314 1.590 1.00 0.00 C ATOM 1081 OG1 THR A 71 -10.920 -7.756 2.923 1.00 0.00 O ATOM 1082 CG2 THR A 71 -11.846 -8.442 0.801 1.00 0.00 C ATOM 0 H THR A 71 -8.649 -8.508 1.166 1.00 0.00 H new ATOM 0 HA THR A 71 -10.151 -6.244 0.036 1.00 0.00 H new ATOM 0 HB THR A 71 -11.889 -6.472 1.623 1.00 0.00 H new ATOM 0 HG1 THR A 71 -9.951 -7.839 3.045 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.762 -8.756 1.301 1.00 0.00 H new ATOM 0 HG22 THR A 71 -12.083 -8.094 -0.204 1.00 0.00 H new ATOM 0 HG23 THR A 71 -11.158 -9.285 0.740 1.00 0.00 H new ATOM 1090 N VAL A 72 -8.677 -4.819 1.442 1.00 0.00 N ATOM 1091 CA VAL A 72 -7.906 -3.912 2.284 1.00 0.00 C ATOM 1092 C VAL A 72 -8.474 -3.856 3.698 1.00 0.00 C ATOM 1093 O VAL A 72 -9.690 -3.862 3.889 1.00 0.00 O ATOM 1094 CB VAL A 72 -7.879 -2.488 1.697 1.00 0.00 C ATOM 1095 CG1 VAL A 72 -7.061 -1.560 2.582 1.00 0.00 C ATOM 1096 CG2 VAL A 72 -7.330 -2.506 0.279 1.00 0.00 C ATOM 0 H VAL A 72 -8.854 -4.472 0.500 1.00 0.00 H new ATOM 0 HA VAL A 72 -6.889 -4.302 2.320 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.901 -2.110 1.662 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.054 -0.559 2.151 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -7.503 -1.523 3.578 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.039 -1.932 2.653 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -7.318 -1.492 -0.120 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.316 -2.905 0.287 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -7.962 -3.135 -0.348 1.00 0.00 H new ATOM 1106 N GLN A 73 -7.585 -3.802 4.685 1.00 0.00 N ATOM 1107 CA GLN A 73 -7.999 -3.746 6.082 1.00 0.00 C ATOM 1108 C GLN A 73 -8.496 -2.351 6.447 1.00 0.00 C ATOM 1109 O GLN A 73 -7.956 -1.704 7.343 1.00 0.00 O ATOM 1110 CB GLN A 73 -6.838 -4.142 6.996 1.00 0.00 C ATOM 1111 CG GLN A 73 -7.282 -4.783 8.300 1.00 0.00 C ATOM 1112 CD GLN A 73 -6.241 -4.660 9.395 1.00 0.00 C ATOM 1113 OE1 GLN A 73 -6.172 -3.647 10.092 1.00 0.00 O ATOM 1114 NE2 GLN A 73 -5.422 -5.694 9.552 1.00 0.00 N ATOM 0 H GLN A 73 -6.575 -3.796 4.543 1.00 0.00 H new ATOM 0 HA GLN A 73 -8.818 -4.451 6.221 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -6.187 -4.835 6.463 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -6.244 -3.256 7.220 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -8.210 -4.317 8.632 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.499 -5.837 8.127 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -5.515 -6.514 8.952 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -4.700 -5.668 10.273 1.00 0.00 H new ATOM 1123 N ALA A 74 -9.528 -1.894 5.745 1.00 0.00 N ATOM 1124 CA ALA A 74 -10.099 -0.577 5.997 1.00 0.00 C ATOM 1125 C ALA A 74 -11.607 -0.663 6.206 1.00 0.00 C ATOM 1126 O ALA A 74 -12.335 -1.158 5.346 1.00 0.00 O ATOM 1127 CB ALA A 74 -9.777 0.367 4.847 1.00 0.00 C ATOM 0 H ALA A 74 -9.985 -2.416 4.998 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.654 -0.184 6.911 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.210 1.347 5.049 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.696 0.462 4.746 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.195 -0.031 3.922 1.00 0.00 H new ATOM 1210 N ARG A 81 -17.337 -4.418 -1.507 1.00 0.00 N ATOM 1211 CA ARG A 81 -17.021 -5.326 -2.603 1.00 0.00 C ATOM 1212 C ARG A 81 -15.721 -6.077 -2.330 1.00 0.00 C ATOM 1213 O ARG A 81 -14.856 -5.596 -1.597 1.00 0.00 O ATOM 1214 CB ARG A 81 -16.910 -4.553 -3.918 1.00 0.00 C ATOM 1215 CG ARG A 81 -18.254 -4.206 -4.537 1.00 0.00 C ATOM 1216 CD ARG A 81 -18.098 -3.702 -5.963 1.00 0.00 C ATOM 1217 NE ARG A 81 -19.361 -3.730 -6.695 1.00 0.00 N ATOM 1218 CZ ARG A 81 -20.302 -2.801 -6.572 1.00 0.00 C ATOM 1219 NH1 ARG A 81 -20.123 -1.776 -5.751 1.00 0.00 N ATOM 1220 NH2 ARG A 81 -21.425 -2.896 -7.272 1.00 0.00 N ATOM 0 HA ARG A 81 -17.829 -6.053 -2.684 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -16.352 -3.633 -3.743 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -16.334 -5.144 -4.630 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -18.897 -5.086 -4.529 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -18.748 -3.445 -3.933 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -17.711 -2.683 -5.947 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -17.363 -4.314 -6.485 1.00 0.00 H new ATOM 0 HE ARG A 81 -19.530 -4.505 -7.336 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -19.261 -1.699 -5.212 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -20.848 -1.064 -5.659 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -21.566 -3.683 -7.905 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -22.147 -2.182 -7.177 1.00 0.00 H new ATOM 1234 N PHE A 82 -15.590 -7.258 -2.924 1.00 0.00 N ATOM 1235 CA PHE A 82 -14.396 -8.076 -2.743 1.00 0.00 C ATOM 1236 C PHE A 82 -13.716 -8.347 -4.082 1.00 0.00 C ATOM 1237 O PHE A 82 -14.362 -8.747 -5.050 1.00 0.00 O ATOM 1238 CB PHE A 82 -14.756 -9.399 -2.065 1.00 0.00 C ATOM 1239 CG PHE A 82 -15.588 -9.230 -0.825 1.00 0.00 C ATOM 1240 CD1 PHE A 82 -15.120 -8.480 0.242 1.00 0.00 C ATOM 1241 CD2 PHE A 82 -16.837 -9.821 -0.727 1.00 0.00 C ATOM 1242 CE1 PHE A 82 -15.882 -8.322 1.384 1.00 0.00 C ATOM 1243 CE2 PHE A 82 -17.604 -9.667 0.412 1.00 0.00 C ATOM 1244 CZ PHE A 82 -17.126 -8.917 1.469 1.00 0.00 C ATOM 0 H PHE A 82 -16.295 -7.670 -3.535 1.00 0.00 H new ATOM 0 HA PHE A 82 -13.702 -7.527 -2.106 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -15.297 -10.026 -2.774 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -13.838 -9.928 -1.808 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -14.148 -8.013 0.180 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -17.216 -10.409 -1.550 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -15.506 -7.735 2.208 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -18.576 -10.133 0.476 1.00 0.00 H new ATOM 0 HZ PHE A 82 -17.724 -8.796 2.360 1.00 0.00 H new ATOM 1254 N PHE A 83 -12.406 -8.126 -4.129 1.00 0.00 N ATOM 1255 CA PHE A 83 -11.637 -8.344 -5.348 1.00 0.00 C ATOM 1256 C PHE A 83 -10.634 -9.480 -5.162 1.00 0.00 C ATOM 1257 O PHE A 83 -10.254 -9.811 -4.039 1.00 0.00 O ATOM 1258 CB PHE A 83 -10.904 -7.063 -5.750 1.00 0.00 C ATOM 1259 CG PHE A 83 -11.751 -5.828 -5.639 1.00 0.00 C ATOM 1260 CD1 PHE A 83 -11.805 -5.113 -4.453 1.00 0.00 C ATOM 1261 CD2 PHE A 83 -12.494 -5.381 -6.720 1.00 0.00 C ATOM 1262 CE1 PHE A 83 -12.584 -3.976 -4.347 1.00 0.00 C ATOM 1263 CE2 PHE A 83 -13.274 -4.245 -6.620 1.00 0.00 C ATOM 1264 CZ PHE A 83 -13.320 -3.542 -5.431 1.00 0.00 C ATOM 0 H PHE A 83 -11.855 -7.796 -3.336 1.00 0.00 H new ATOM 0 HA PHE A 83 -12.331 -8.621 -6.141 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -10.021 -6.946 -5.121 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -10.553 -7.162 -6.777 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -11.232 -5.448 -3.601 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -12.463 -5.927 -7.651 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -12.617 -3.428 -3.417 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -13.847 -3.907 -7.470 1.00 0.00 H new ATOM 0 HZ PHE A 83 -13.931 -2.655 -5.350 1.00 0.00 H new ATOM 1274 N THR A 84 -10.209 -10.073 -6.273 1.00 0.00 N ATOM 1275 CA THR A 84 -9.253 -11.173 -6.235 1.00 0.00 C ATOM 1276 C THR A 84 -7.888 -10.733 -6.752 1.00 0.00 C ATOM 1277 O THR A 84 -6.860 -11.299 -6.382 1.00 0.00 O ATOM 1278 CB THR A 84 -9.743 -12.373 -7.067 1.00 0.00 C ATOM 1279 OG1 THR A 84 -11.059 -12.753 -6.651 1.00 0.00 O ATOM 1280 CG2 THR A 84 -8.797 -13.555 -6.920 1.00 0.00 C ATOM 0 H THR A 84 -10.512 -9.810 -7.211 1.00 0.00 H new ATOM 0 HA THR A 84 -9.163 -11.477 -5.192 1.00 0.00 H new ATOM 0 HB THR A 84 -9.766 -12.075 -8.115 1.00 0.00 H new ATOM 0 HG1 THR A 84 -11.364 -13.515 -7.186 1.00 0.00 H new ATOM 0 HG21 THR A 84 -9.163 -14.391 -7.516 1.00 0.00 H new ATOM 0 HG22 THR A 84 -7.803 -13.271 -7.266 1.00 0.00 H new ATOM 0 HG23 THR A 84 -8.746 -13.852 -5.872 1.00 0.00 H new ATOM 1288 N LYS A 85 -7.885 -9.718 -7.610 1.00 0.00 N ATOM 1289 CA LYS A 85 -6.647 -9.199 -8.178 1.00 0.00 C ATOM 1290 C LYS A 85 -6.415 -7.754 -7.749 1.00 0.00 C ATOM 1291 O LYS A 85 -7.299 -6.907 -7.880 1.00 0.00 O ATOM 1292 CB LYS A 85 -6.685 -9.289 -9.706 1.00 0.00 C ATOM 1293 CG LYS A 85 -6.957 -10.690 -10.226 1.00 0.00 C ATOM 1294 CD LYS A 85 -5.704 -11.548 -10.200 1.00 0.00 C ATOM 1295 CE LYS A 85 -6.039 -13.017 -9.996 1.00 0.00 C ATOM 1296 NZ LYS A 85 -6.260 -13.720 -11.290 1.00 0.00 N ATOM 0 H LYS A 85 -8.727 -9.238 -7.927 1.00 0.00 H new ATOM 0 HA LYS A 85 -5.823 -9.807 -7.805 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.455 -8.615 -10.082 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.733 -8.941 -10.106 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.733 -11.159 -9.621 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.339 -10.633 -11.245 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.158 -11.425 -11.135 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -5.046 -11.209 -9.400 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -5.228 -13.502 -9.453 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.933 -13.103 -9.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -6.486 -14.719 -11.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -7.050 -13.273 -11.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.398 -13.660 -11.869 1.00 0.00 H new ATOM 1310 N LEU A 86 -5.220 -7.478 -7.238 1.00 0.00 N ATOM 1311 CA LEU A 86 -4.871 -6.134 -6.791 1.00 0.00 C ATOM 1312 C LEU A 86 -5.366 -5.085 -7.781 1.00 0.00 C ATOM 1313 O LEU A 86 -6.214 -4.256 -7.449 1.00 0.00 O ATOM 1314 CB LEU A 86 -3.356 -6.011 -6.615 1.00 0.00 C ATOM 1315 CG LEU A 86 -2.809 -6.367 -5.232 1.00 0.00 C ATOM 1316 CD1 LEU A 86 -3.058 -5.232 -4.252 1.00 0.00 C ATOM 1317 CD2 LEU A 86 -3.437 -7.658 -4.727 1.00 0.00 C ATOM 0 H LEU A 86 -4.477 -8.167 -7.123 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.358 -5.959 -5.831 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.872 -6.653 -7.351 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.066 -4.986 -6.845 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.733 -6.518 -5.315 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.662 -5.503 -3.273 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.561 -4.329 -4.607 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.130 -5.049 -4.172 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.036 -7.896 -3.742 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.518 -7.535 -4.659 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.207 -8.469 -5.418 1.00 0.00 H new ATOM 1329 N ASP A 87 -4.833 -5.128 -8.997 1.00 0.00 N ATOM 1330 CA ASP A 87 -5.224 -4.183 -10.037 1.00 0.00 C ATOM 1331 C ASP A 87 -6.733 -3.961 -10.030 1.00 0.00 C ATOM 1332 O ASP A 87 -7.201 -2.823 -10.069 1.00 0.00 O ATOM 1333 CB ASP A 87 -4.776 -4.689 -11.409 1.00 0.00 C ATOM 1334 CG ASP A 87 -5.600 -4.103 -12.539 1.00 0.00 C ATOM 1335 OD1 ASP A 87 -5.334 -2.947 -12.928 1.00 0.00 O ATOM 1336 OD2 ASP A 87 -6.511 -4.800 -13.033 1.00 0.00 O ATOM 0 H ASP A 87 -4.129 -5.807 -9.287 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.735 -3.231 -9.832 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.726 -4.438 -11.561 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.851 -5.776 -11.434 1.00 0.00 H new ATOM 1341 N GLN A 88 -7.487 -5.054 -9.981 1.00 0.00 N ATOM 1342 CA GLN A 88 -8.943 -4.977 -9.971 1.00 0.00 C ATOM 1343 C GLN A 88 -9.443 -4.288 -8.706 1.00 0.00 C ATOM 1344 O GLN A 88 -10.491 -3.640 -8.712 1.00 0.00 O ATOM 1345 CB GLN A 88 -9.549 -6.378 -10.077 1.00 0.00 C ATOM 1346 CG GLN A 88 -8.994 -7.195 -11.232 1.00 0.00 C ATOM 1347 CD GLN A 88 -9.614 -6.821 -12.563 1.00 0.00 C ATOM 1348 OE1 GLN A 88 -9.166 -5.887 -13.229 1.00 0.00 O ATOM 1349 NE2 GLN A 88 -10.651 -7.549 -12.960 1.00 0.00 N ATOM 0 H GLN A 88 -7.114 -6.003 -9.948 1.00 0.00 H new ATOM 0 HA GLN A 88 -9.257 -4.387 -10.832 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.370 -6.914 -9.145 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.629 -6.290 -10.191 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -7.915 -7.054 -11.286 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -9.168 -8.254 -11.039 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -10.990 -8.314 -12.377 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -11.109 -7.343 -13.848 1.00 0.00 H new ATOM 1358 N LEU A 89 -8.689 -4.432 -7.622 1.00 0.00 N ATOM 1359 CA LEU A 89 -9.055 -3.823 -6.348 1.00 0.00 C ATOM 1360 C LEU A 89 -8.749 -2.329 -6.350 1.00 0.00 C ATOM 1361 O LEU A 89 -9.629 -1.504 -6.105 1.00 0.00 O ATOM 1362 CB LEU A 89 -8.310 -4.507 -5.200 1.00 0.00 C ATOM 1363 CG LEU A 89 -8.566 -3.941 -3.803 1.00 0.00 C ATOM 1364 CD1 LEU A 89 -8.430 -5.033 -2.752 1.00 0.00 C ATOM 1365 CD2 LEU A 89 -7.611 -2.794 -3.509 1.00 0.00 C ATOM 0 H LEU A 89 -7.820 -4.965 -7.600 1.00 0.00 H new ATOM 0 HA LEU A 89 -10.128 -3.955 -6.206 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -8.579 -5.563 -5.197 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.240 -4.451 -5.403 1.00 0.00 H new ATOM 0 HG LEU A 89 -9.585 -3.556 -3.769 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.616 -4.612 -1.764 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.154 -5.823 -2.952 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -7.423 -5.448 -2.786 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.808 -2.404 -2.511 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.583 -3.153 -3.562 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.757 -2.002 -4.244 1.00 0.00 H new ATOM 1377 N ILE A 90 -7.495 -1.988 -6.631 1.00 0.00 N ATOM 1378 CA ILE A 90 -7.074 -0.593 -6.668 1.00 0.00 C ATOM 1379 C ILE A 90 -7.989 0.234 -7.565 1.00 0.00 C ATOM 1380 O ILE A 90 -8.562 1.232 -7.130 1.00 0.00 O ATOM 1381 CB ILE A 90 -5.624 -0.457 -7.168 1.00 0.00 C ATOM 1382 CG1 ILE A 90 -4.672 -1.241 -6.262 1.00 0.00 C ATOM 1383 CG2 ILE A 90 -5.220 1.009 -7.228 1.00 0.00 C ATOM 1384 CD1 ILE A 90 -4.650 -0.741 -4.834 1.00 0.00 C ATOM 0 H ILE A 90 -6.754 -2.658 -6.836 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.135 -0.217 -5.647 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.562 -0.873 -8.174 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -4.962 -2.292 -6.266 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.664 -1.187 -6.673 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.193 1.089 -7.583 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.882 1.541 -7.911 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.295 1.448 -6.233 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -3.954 -1.342 -4.249 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.331 0.301 -4.818 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.649 -0.821 -4.405 1.00 0.00 H new ATOM 1396 N GLU A 91 -8.121 -0.190 -8.818 1.00 0.00 N ATOM 1397 CA GLU A 91 -8.968 0.511 -9.776 1.00 0.00 C ATOM 1398 C GLU A 91 -10.236 1.030 -9.103 1.00 0.00 C ATOM 1399 O GLU A 91 -10.679 2.148 -9.368 1.00 0.00 O ATOM 1400 CB GLU A 91 -9.336 -0.413 -10.938 1.00 0.00 C ATOM 1401 CG GLU A 91 -8.303 -0.432 -12.052 1.00 0.00 C ATOM 1402 CD GLU A 91 -8.441 0.747 -12.995 1.00 0.00 C ATOM 1403 OE1 GLU A 91 -9.552 1.311 -13.080 1.00 0.00 O ATOM 1404 OE2 GLU A 91 -7.439 1.106 -13.648 1.00 0.00 O ATOM 0 H GLU A 91 -7.653 -1.015 -9.193 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.407 1.362 -10.162 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.467 -1.426 -10.558 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -10.296 -0.101 -11.349 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.304 -0.429 -11.616 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -8.401 -1.358 -12.618 1.00 0.00 H new ATOM 1411 N PHE A 92 -10.814 0.210 -8.232 1.00 0.00 N ATOM 1412 CA PHE A 92 -12.032 0.585 -7.522 1.00 0.00 C ATOM 1413 C PHE A 92 -11.733 1.613 -6.434 1.00 0.00 C ATOM 1414 O PHE A 92 -12.451 2.602 -6.286 1.00 0.00 O ATOM 1415 CB PHE A 92 -12.688 -0.652 -6.904 1.00 0.00 C ATOM 1416 CG PHE A 92 -13.880 -0.333 -6.048 1.00 0.00 C ATOM 1417 CD1 PHE A 92 -15.123 -0.114 -6.621 1.00 0.00 C ATOM 1418 CD2 PHE A 92 -13.759 -0.252 -4.670 1.00 0.00 C ATOM 1419 CE1 PHE A 92 -16.222 0.179 -5.836 1.00 0.00 C ATOM 1420 CE2 PHE A 92 -14.854 0.040 -3.880 1.00 0.00 C ATOM 1421 CZ PHE A 92 -16.087 0.257 -4.464 1.00 0.00 C ATOM 0 H PHE A 92 -10.459 -0.718 -8.001 1.00 0.00 H new ATOM 0 HA PHE A 92 -12.719 1.032 -8.241 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -12.994 -1.328 -7.702 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -11.950 -1.183 -6.302 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -15.234 -0.173 -7.694 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -12.797 -0.419 -4.208 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -17.185 0.347 -6.295 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -14.746 0.099 -2.807 1.00 0.00 H new ATOM 0 HZ PHE A 92 -16.944 0.487 -3.848 1.00 0.00 H new ATOM 1431 N TYR A 93 -10.669 1.371 -5.677 1.00 0.00 N ATOM 1432 CA TYR A 93 -10.276 2.273 -4.601 1.00 0.00 C ATOM 1433 C TYR A 93 -9.933 3.656 -5.147 1.00 0.00 C ATOM 1434 O TYR A 93 -10.093 4.665 -4.460 1.00 0.00 O ATOM 1435 CB TYR A 93 -9.078 1.702 -3.840 1.00 0.00 C ATOM 1436 CG TYR A 93 -9.454 0.656 -2.815 1.00 0.00 C ATOM 1437 CD1 TYR A 93 -10.318 -0.383 -3.138 1.00 0.00 C ATOM 1438 CD2 TYR A 93 -8.945 0.707 -1.523 1.00 0.00 C ATOM 1439 CE1 TYR A 93 -10.665 -1.340 -2.204 1.00 0.00 C ATOM 1440 CE2 TYR A 93 -9.286 -0.246 -0.583 1.00 0.00 C ATOM 1441 CZ TYR A 93 -10.146 -1.267 -0.928 1.00 0.00 C ATOM 1442 OH TYR A 93 -10.489 -2.219 0.005 1.00 0.00 O ATOM 0 H TYR A 93 -10.063 0.558 -5.788 1.00 0.00 H new ATOM 0 HA TYR A 93 -11.119 2.371 -3.917 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.380 1.265 -4.554 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.554 2.517 -3.340 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -10.725 -0.444 -4.136 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -8.271 1.505 -1.249 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -11.339 -2.141 -2.471 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -8.881 -0.192 0.417 1.00 0.00 H new ATOM 0 HH TYR A 93 -10.673 -3.069 -0.447 1.00 0.00 H new ATOM 1452 N LYS A 94 -9.461 3.694 -6.388 1.00 0.00 N ATOM 1453 CA LYS A 94 -9.097 4.951 -7.031 1.00 0.00 C ATOM 1454 C LYS A 94 -10.178 6.006 -6.814 1.00 0.00 C ATOM 1455 O LYS A 94 -9.879 7.174 -6.567 1.00 0.00 O ATOM 1456 CB LYS A 94 -8.872 4.736 -8.529 1.00 0.00 C ATOM 1457 CG LYS A 94 -7.631 3.920 -8.847 1.00 0.00 C ATOM 1458 CD LYS A 94 -7.178 4.130 -10.282 1.00 0.00 C ATOM 1459 CE LYS A 94 -5.988 3.247 -10.625 1.00 0.00 C ATOM 1460 NZ LYS A 94 -5.677 3.277 -12.081 1.00 0.00 N ATOM 0 H LYS A 94 -9.321 2.868 -6.969 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.171 5.306 -6.579 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -9.744 4.235 -8.951 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.794 5.706 -9.019 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -6.827 4.199 -8.166 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -7.837 2.863 -8.681 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -8.002 3.911 -10.961 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.911 5.176 -10.431 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.116 3.577 -10.060 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.196 2.222 -10.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.675 3.042 -12.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.271 2.583 -12.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -5.868 4.228 -12.457 1.00 0.00 H new ATOM 1474 N LYS A 95 -11.435 5.586 -6.907 1.00 0.00 N ATOM 1475 CA LYS A 95 -12.561 6.492 -6.719 1.00 0.00 C ATOM 1476 C LYS A 95 -12.304 7.444 -5.555 1.00 0.00 C ATOM 1477 O LYS A 95 -11.425 7.205 -4.729 1.00 0.00 O ATOM 1478 CB LYS A 95 -13.845 5.699 -6.469 1.00 0.00 C ATOM 1479 CG LYS A 95 -14.586 5.324 -7.741 1.00 0.00 C ATOM 1480 CD LYS A 95 -15.665 4.288 -7.473 1.00 0.00 C ATOM 1481 CE LYS A 95 -16.197 3.690 -8.766 1.00 0.00 C ATOM 1482 NZ LYS A 95 -17.385 2.824 -8.530 1.00 0.00 N ATOM 0 H LYS A 95 -11.699 4.622 -7.112 1.00 0.00 H new ATOM 0 HA LYS A 95 -12.677 7.081 -7.629 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -13.599 4.790 -5.920 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -14.507 6.287 -5.833 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -15.037 6.216 -8.177 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -13.879 4.934 -8.473 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -15.261 3.495 -6.843 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -16.484 4.748 -6.920 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -16.464 4.492 -9.454 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -15.412 3.106 -9.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -17.717 2.436 -9.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -17.125 2.044 -7.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -18.144 3.387 -8.095 1.00 0.00 H new ATOM 1549 N LEU A 100 -9.806 5.456 -0.107 1.00 0.00 N ATOM 1550 CA LEU A 100 -8.842 5.612 0.976 1.00 0.00 C ATOM 1551 C LEU A 100 -8.751 7.070 1.417 1.00 0.00 C ATOM 1552 O LEU A 100 -9.420 7.941 0.861 1.00 0.00 O ATOM 1553 CB LEU A 100 -7.464 5.114 0.536 1.00 0.00 C ATOM 1554 CG LEU A 100 -7.414 3.697 -0.036 1.00 0.00 C ATOM 1555 CD1 LEU A 100 -6.295 3.573 -1.058 1.00 0.00 C ATOM 1556 CD2 LEU A 100 -7.236 2.677 1.079 1.00 0.00 C ATOM 0 HA LEU A 100 -9.184 5.015 1.822 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.074 5.801 -0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.792 5.163 1.393 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.360 3.495 -0.538 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -6.275 2.558 -1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.466 4.277 -1.872 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.340 3.795 -0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.203 1.674 0.653 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.305 2.877 1.610 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -8.073 2.748 1.774 1.00 0.00 H new ATOM 1568 N VAL A 101 -7.917 7.328 2.420 1.00 0.00 N ATOM 1569 CA VAL A 101 -7.736 8.681 2.934 1.00 0.00 C ATOM 1570 C VAL A 101 -7.737 9.703 1.803 1.00 0.00 C ATOM 1571 O VAL A 101 -8.283 10.798 1.941 1.00 0.00 O ATOM 1572 CB VAL A 101 -6.421 8.808 3.725 1.00 0.00 C ATOM 1573 CG1 VAL A 101 -5.230 8.464 2.843 1.00 0.00 C ATOM 1574 CG2 VAL A 101 -6.280 10.209 4.301 1.00 0.00 C ATOM 0 H VAL A 101 -7.357 6.619 2.892 1.00 0.00 H new ATOM 0 HA VAL A 101 -8.574 8.882 3.601 1.00 0.00 H new ATOM 0 HB VAL A 101 -6.446 8.099 4.553 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.310 8.560 3.420 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.328 7.440 2.483 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.198 9.146 1.993 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -5.345 10.281 4.857 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -6.277 10.937 3.490 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.116 10.413 4.969 1.00 0.00 H new ATOM 1584 N THR A 102 -7.122 9.339 0.682 1.00 0.00 N ATOM 1585 CA THR A 102 -7.051 10.224 -0.473 1.00 0.00 C ATOM 1586 C THR A 102 -7.163 9.439 -1.775 1.00 0.00 C ATOM 1587 O THR A 102 -6.452 8.454 -1.981 1.00 0.00 O ATOM 1588 CB THR A 102 -5.739 11.030 -0.484 1.00 0.00 C ATOM 1589 OG1 THR A 102 -5.722 11.925 -1.602 1.00 0.00 O ATOM 1590 CG2 THR A 102 -4.535 10.102 -0.553 1.00 0.00 C ATOM 0 H THR A 102 -6.666 8.436 0.550 1.00 0.00 H new ATOM 0 HA THR A 102 -7.891 10.914 -0.394 1.00 0.00 H new ATOM 0 HB THR A 102 -5.684 11.604 0.441 1.00 0.00 H new ATOM 0 HG1 THR A 102 -4.885 12.435 -1.600 1.00 0.00 H new ATOM 0 HG21 THR A 102 -3.620 10.694 -0.560 1.00 0.00 H new ATOM 0 HG22 THR A 102 -4.534 9.442 0.314 1.00 0.00 H new ATOM 0 HG23 THR A 102 -4.588 9.505 -1.463 1.00 0.00 H new ATOM 1598 N HIS A 103 -8.059 9.880 -2.652 1.00 0.00 N ATOM 1599 CA HIS A 103 -8.263 9.218 -3.936 1.00 0.00 C ATOM 1600 C HIS A 103 -6.944 9.079 -4.691 1.00 0.00 C ATOM 1601 O HIS A 103 -6.258 10.069 -4.950 1.00 0.00 O ATOM 1602 CB HIS A 103 -9.268 9.999 -4.782 1.00 0.00 C ATOM 1603 CG HIS A 103 -8.766 11.339 -5.225 1.00 0.00 C ATOM 1604 ND1 HIS A 103 -8.326 11.592 -6.507 1.00 0.00 N ATOM 1605 CD2 HIS A 103 -8.637 12.504 -4.548 1.00 0.00 C ATOM 1606 CE1 HIS A 103 -7.947 12.854 -6.599 1.00 0.00 C ATOM 1607 NE2 HIS A 103 -8.126 13.429 -5.424 1.00 0.00 N ATOM 0 H HIS A 103 -8.655 10.693 -2.497 1.00 0.00 H new ATOM 0 HA HIS A 103 -8.659 8.221 -3.744 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -9.527 9.409 -5.661 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -10.185 10.135 -4.208 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -8.889 12.674 -3.512 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -7.557 13.334 -7.485 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -7.918 14.403 -5.203 1.00 0.00 H new ATOM 1616 N LEU A 104 -6.595 7.846 -5.039 1.00 0.00 N ATOM 1617 CA LEU A 104 -5.357 7.577 -5.764 1.00 0.00 C ATOM 1618 C LEU A 104 -5.194 8.537 -6.938 1.00 0.00 C ATOM 1619 O LEU A 104 -6.037 8.585 -7.834 1.00 0.00 O ATOM 1620 CB LEU A 104 -5.340 6.132 -6.266 1.00 0.00 C ATOM 1621 CG LEU A 104 -5.651 5.057 -5.224 1.00 0.00 C ATOM 1622 CD1 LEU A 104 -5.749 3.689 -5.882 1.00 0.00 C ATOM 1623 CD2 LEU A 104 -4.591 5.051 -4.132 1.00 0.00 C ATOM 0 H LEU A 104 -7.151 7.016 -4.831 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.523 7.726 -5.078 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -6.061 6.042 -7.078 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.356 5.927 -6.689 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.613 5.288 -4.767 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.971 2.936 -5.125 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.544 3.700 -6.627 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.802 3.449 -6.366 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.828 4.280 -3.399 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.616 4.845 -4.573 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.569 6.024 -3.641 1.00 0.00 H new ATOM 1635 N GLN A 105 -4.104 9.297 -6.928 1.00 0.00 N ATOM 1636 CA GLN A 105 -3.831 10.255 -7.993 1.00 0.00 C ATOM 1637 C GLN A 105 -2.529 9.913 -8.711 1.00 0.00 C ATOM 1638 O GLN A 105 -2.522 9.648 -9.913 1.00 0.00 O ATOM 1639 CB GLN A 105 -3.758 11.674 -7.427 1.00 0.00 C ATOM 1640 CG GLN A 105 -5.115 12.256 -7.067 1.00 0.00 C ATOM 1641 CD GLN A 105 -5.042 13.243 -5.920 1.00 0.00 C ATOM 1642 OE1 GLN A 105 -4.484 14.332 -6.057 1.00 0.00 O ATOM 1643 NE2 GLN A 105 -5.606 12.868 -4.778 1.00 0.00 N ATOM 0 H GLN A 105 -3.396 9.268 -6.195 1.00 0.00 H new ATOM 0 HA GLN A 105 -4.647 10.202 -8.713 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -3.127 11.670 -6.539 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -3.276 12.323 -8.158 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -5.537 12.752 -7.941 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -5.794 11.446 -6.801 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -6.058 11.956 -4.708 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -5.587 13.492 -3.971 1.00 0.00 H new ATOM 1652 N TYR A 106 -1.429 9.923 -7.966 1.00 0.00 N ATOM 1653 CA TYR A 106 -0.121 9.617 -8.532 1.00 0.00 C ATOM 1654 C TYR A 106 0.409 8.291 -7.993 1.00 0.00 C ATOM 1655 O TYR A 106 1.001 8.221 -6.916 1.00 0.00 O ATOM 1656 CB TYR A 106 0.869 10.740 -8.218 1.00 0.00 C ATOM 1657 CG TYR A 106 0.230 12.108 -8.147 1.00 0.00 C ATOM 1658 CD1 TYR A 106 -0.591 12.568 -9.170 1.00 0.00 C ATOM 1659 CD2 TYR A 106 0.445 12.941 -7.056 1.00 0.00 C ATOM 1660 CE1 TYR A 106 -1.176 13.817 -9.109 1.00 0.00 C ATOM 1661 CE2 TYR A 106 -0.137 14.192 -6.986 1.00 0.00 C ATOM 1662 CZ TYR A 106 -0.947 14.626 -8.015 1.00 0.00 C ATOM 1663 OH TYR A 106 -1.530 15.871 -7.950 1.00 0.00 O ATOM 0 H TYR A 106 -1.417 10.140 -6.969 1.00 0.00 H new ATOM 0 HA TYR A 106 -0.232 9.531 -9.613 1.00 0.00 H new ATOM 0 HB2 TYR A 106 1.358 10.527 -7.267 1.00 0.00 H new ATOM 0 HB3 TYR A 106 1.647 10.751 -8.981 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -0.774 11.937 -10.027 1.00 0.00 H new ATOM 0 HD2 TYR A 106 1.078 12.605 -6.248 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -1.810 14.159 -9.914 1.00 0.00 H new ATOM 0 HE2 TYR A 106 0.041 14.827 -6.131 1.00 0.00 H new ATOM 0 HH TYR A 106 -1.268 16.312 -7.115 1.00 0.00 H new ATOM 1673 N PRO A 107 0.194 7.213 -8.762 1.00 0.00 N ATOM 1674 CA PRO A 107 0.642 5.870 -8.384 1.00 0.00 C ATOM 1675 C PRO A 107 2.160 5.728 -8.441 1.00 0.00 C ATOM 1676 O PRO A 107 2.717 5.310 -9.456 1.00 0.00 O ATOM 1677 CB PRO A 107 -0.018 4.968 -9.430 1.00 0.00 C ATOM 1678 CG PRO A 107 -0.232 5.851 -10.611 1.00 0.00 C ATOM 1679 CD PRO A 107 -0.504 7.223 -10.058 1.00 0.00 C ATOM 0 HA PRO A 107 0.371 5.624 -7.357 1.00 0.00 H new ATOM 0 HB2 PRO A 107 0.619 4.120 -9.680 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -0.961 4.561 -9.064 1.00 0.00 H new ATOM 0 HG2 PRO A 107 0.646 5.858 -11.257 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -1.069 5.500 -11.214 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -0.121 8.004 -10.715 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -1.572 7.403 -9.938 1.00 0.00 H new ATOM 1687 N VAL A 108 2.823 6.078 -7.344 1.00 0.00 N ATOM 1688 CA VAL A 108 4.277 5.988 -7.268 1.00 0.00 C ATOM 1689 C VAL A 108 4.795 4.795 -8.062 1.00 0.00 C ATOM 1690 O VAL A 108 4.575 3.637 -7.706 1.00 0.00 O ATOM 1691 CB VAL A 108 4.756 5.867 -5.809 1.00 0.00 C ATOM 1692 CG1 VAL A 108 6.264 5.675 -5.757 1.00 0.00 C ATOM 1693 CG2 VAL A 108 4.339 7.092 -5.009 1.00 0.00 C ATOM 0 H VAL A 108 2.377 6.427 -6.495 1.00 0.00 H new ATOM 0 HA VAL A 108 4.675 6.907 -7.698 1.00 0.00 H new ATOM 0 HB VAL A 108 4.286 4.991 -5.361 1.00 0.00 H new ATOM 0 HG11 VAL A 108 6.585 5.591 -4.719 1.00 0.00 H new ATOM 0 HG12 VAL A 108 6.534 4.766 -6.294 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.756 6.530 -6.221 1.00 0.00 H new ATOM 0 HG21 VAL A 108 4.685 6.990 -3.981 1.00 0.00 H new ATOM 0 HG22 VAL A 108 4.780 7.984 -5.454 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.253 7.181 -5.019 1.00 0.00 H new ATOM 1703 N PRO A 109 5.502 5.081 -9.166 1.00 0.00 N ATOM 1704 CA PRO A 109 6.069 4.044 -10.034 1.00 0.00 C ATOM 1705 C PRO A 109 7.221 3.298 -9.370 1.00 0.00 C ATOM 1706 O PRO A 109 7.530 3.527 -8.200 1.00 0.00 O ATOM 1707 CB PRO A 109 6.570 4.832 -11.247 1.00 0.00 C ATOM 1708 CG PRO A 109 6.827 6.205 -10.727 1.00 0.00 C ATOM 1709 CD PRO A 109 5.804 6.438 -9.650 1.00 0.00 C ATOM 0 HA PRO A 109 5.338 3.274 -10.281 1.00 0.00 H new ATOM 0 HB2 PRO A 109 7.476 4.389 -11.660 1.00 0.00 H new ATOM 0 HB3 PRO A 109 5.828 4.843 -12.046 1.00 0.00 H new ATOM 0 HG2 PRO A 109 7.838 6.289 -10.329 1.00 0.00 H new ATOM 0 HG3 PRO A 109 6.734 6.947 -11.520 1.00 0.00 H new ATOM 0 HD2 PRO A 109 6.196 7.071 -8.854 1.00 0.00 H new ATOM 0 HD3 PRO A 109 4.915 6.932 -10.041 1.00 0.00 H new ATOM 1717 N LEU A 110 7.855 2.406 -10.124 1.00 0.00 N ATOM 1718 CA LEU A 110 8.975 1.626 -9.608 1.00 0.00 C ATOM 1719 C LEU A 110 10.245 2.468 -9.555 1.00 0.00 C ATOM 1720 O LEU A 110 10.321 3.534 -10.166 1.00 0.00 O ATOM 1721 CB LEU A 110 9.204 0.390 -10.479 1.00 0.00 C ATOM 1722 CG LEU A 110 8.080 -0.647 -10.482 1.00 0.00 C ATOM 1723 CD1 LEU A 110 8.435 -1.816 -11.388 1.00 0.00 C ATOM 1724 CD2 LEU A 110 7.798 -1.132 -9.068 1.00 0.00 C ATOM 0 H LEU A 110 7.613 2.205 -11.094 1.00 0.00 H new ATOM 0 HA LEU A 110 8.730 1.308 -8.595 1.00 0.00 H new ATOM 0 HB2 LEU A 110 9.370 0.719 -11.505 1.00 0.00 H new ATOM 0 HB3 LEU A 110 10.121 -0.098 -10.148 1.00 0.00 H new ATOM 0 HG LEU A 110 7.177 -0.175 -10.869 1.00 0.00 H new ATOM 0 HD11 LEU A 110 7.624 -2.544 -11.378 1.00 0.00 H new ATOM 0 HD12 LEU A 110 8.586 -1.455 -12.405 1.00 0.00 H new ATOM 0 HD13 LEU A 110 9.350 -2.288 -11.031 1.00 0.00 H new ATOM 0 HD21 LEU A 110 6.995 -1.869 -9.090 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.698 -1.587 -8.653 1.00 0.00 H new ATOM 0 HD23 LEU A 110 7.499 -0.288 -8.447 1.00 0.00 H new