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 50 CYS SG : rot -160:sc= -0.243 USER MOD Set 1.2: A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.124 K(o=-0.12,f=-1.2) USER MOD Single : A 14 HIS :FLIP no HE2:sc= -2.35 F(o=-3.4,f=-2.3) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= -0.598 USER MOD Single : A 21 LYS NZ :NH3+ -179:sc= -0.853 (180deg=-0.854) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 84:sc= 0.552 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 130:sc= -0.3 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= -0.168 K(o=-0.17,f=-1.8!) USER MOD Single : A 56 CYS SG : rot 30:sc= 0.234 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 165:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -2.11 K(o=-2.1,f=-12!) USER MOD Single : A 69 LYS NZ :NH3+ -146:sc= 1.13 (180deg=0.189) USER MOD Single : A 71 THR OG1 : rot 116:sc= 0.176 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -0.347 X(o=-0.35,f=-0.42) USER MOD Single : A 93 TYR OH : rot 30:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0247) USER MOD Single : A 95 LYS NZ :NH3+ -112:sc= 0.868 (180deg=-1.23!) USER MOD Single : A 102 THR OG1 : rot -154:sc= 0.043 USER MOD Single : A 103 HIS : no HD1:sc= -0.285 X(o=-0.28,f=-0.57) USER MOD Single : A 105 GLN : amide:sc= -1.01 X(o=-1,f=-0.75) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 113 N CYS A 11 1.685 -0.909 -12.334 1.00 0.00 N ATOM 114 CA CYS A 11 3.091 -0.893 -11.945 1.00 0.00 C ATOM 115 C CYS A 11 3.259 -0.343 -10.533 1.00 0.00 C ATOM 116 O CYS A 11 4.334 0.129 -10.164 1.00 0.00 O ATOM 117 CB CYS A 11 3.905 -0.056 -12.932 1.00 0.00 C ATOM 118 SG CYS A 11 4.246 -0.888 -14.501 1.00 0.00 S ATOM 0 HA CYS A 11 3.458 -1.919 -11.961 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.369 0.871 -13.134 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.851 0.218 -12.465 1.00 0.00 H new ATOM 0 HG CYS A 11 4.937 -0.099 -15.269 1.00 0.00 H new ATOM 124 N TRP A 12 2.189 -0.405 -9.749 1.00 0.00 N ATOM 125 CA TRP A 12 2.217 0.090 -8.377 1.00 0.00 C ATOM 126 C TRP A 12 2.531 -1.037 -7.399 1.00 0.00 C ATOM 127 O TRP A 12 2.632 -0.814 -6.193 1.00 0.00 O ATOM 128 CB TRP A 12 0.878 0.735 -8.018 1.00 0.00 C ATOM 129 CG TRP A 12 -0.290 0.110 -8.719 1.00 0.00 C ATOM 130 CD1 TRP A 12 -1.057 0.676 -9.698 1.00 0.00 C ATOM 131 CD2 TRP A 12 -0.824 -1.199 -8.494 1.00 0.00 C ATOM 132 NE1 TRP A 12 -2.036 -0.203 -10.094 1.00 0.00 N ATOM 133 CE2 TRP A 12 -1.914 -1.361 -9.372 1.00 0.00 C ATOM 134 CE3 TRP A 12 -0.487 -2.251 -7.638 1.00 0.00 C ATOM 135 CZ2 TRP A 12 -2.667 -2.531 -9.415 1.00 0.00 C ATOM 136 CZ3 TRP A 12 -1.235 -3.412 -7.682 1.00 0.00 C ATOM 137 CH2 TRP A 12 -2.315 -3.545 -8.566 1.00 0.00 C ATOM 0 H TRP A 12 1.291 -0.793 -10.039 1.00 0.00 H new ATOM 0 HA TRP A 12 3.004 0.840 -8.304 1.00 0.00 H new ATOM 0 HB2 TRP A 12 0.726 0.664 -6.941 1.00 0.00 H new ATOM 0 HB3 TRP A 12 0.916 1.796 -8.266 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -0.915 1.668 -10.101 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.740 -0.023 -10.810 1.00 0.00 H new ATOM 0 HE3 TRP A 12 0.344 -2.158 -6.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -3.500 -2.635 -10.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -0.983 -4.231 -7.024 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -2.880 -4.465 -8.577 1.00 0.00 H new ATOM 148 N ASN A 13 2.684 -2.247 -7.926 1.00 0.00 N ATOM 149 CA ASN A 13 2.986 -3.409 -7.098 1.00 0.00 C ATOM 150 C ASN A 13 4.487 -3.685 -7.074 1.00 0.00 C ATOM 151 O ASN A 13 5.005 -4.433 -7.904 1.00 0.00 O ATOM 152 CB ASN A 13 2.239 -4.639 -7.616 1.00 0.00 C ATOM 153 CG ASN A 13 2.265 -5.790 -6.629 1.00 0.00 C ATOM 154 OD1 ASN A 13 3.331 -6.295 -6.276 1.00 0.00 O ATOM 155 ND2 ASN A 13 1.089 -6.211 -6.179 1.00 0.00 N ATOM 0 H ASN A 13 2.604 -2.449 -8.923 1.00 0.00 H new ATOM 0 HA ASN A 13 2.657 -3.194 -6.081 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.204 -4.370 -7.828 1.00 0.00 H new ATOM 0 HB3 ASN A 13 2.684 -4.961 -8.557 1.00 0.00 H new ATOM 0 HD21 ASN A 13 1.044 -6.983 -5.513 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.230 -5.763 -6.499 1.00 0.00 H new ATOM 162 N HIS A 14 5.180 -3.075 -6.117 1.00 0.00 N ATOM 163 CA HIS A 14 6.621 -3.256 -5.984 1.00 0.00 C ATOM 164 C HIS A 14 6.956 -4.696 -5.606 1.00 0.00 C ATOM 165 O HIS A 14 7.661 -5.392 -6.336 1.00 0.00 O ATOM 166 CB HIS A 14 7.182 -2.297 -4.934 1.00 0.00 C ATOM 167 CG HIS A 14 7.435 -0.917 -5.457 1.00 0.00 C ATOM 168 ND1 HIS A 14 6.582 0.021 -5.931 1.00 0.00 N flip ATOM 169 CD2 HIS A 14 8.695 -0.362 -5.537 1.00 0.00 C flip ATOM 170 CE1 HIS A 14 7.333 1.115 -6.283 1.00 0.00 C flip ATOM 171 NE2 HIS A 14 8.605 0.859 -6.035 1.00 0.00 N flip ATOM 0 H HIS A 14 4.767 -2.452 -5.423 1.00 0.00 H new ATOM 0 HA HIS A 14 7.080 -3.036 -6.948 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.484 -2.238 -4.099 1.00 0.00 H new ATOM 0 HB3 HIS A 14 8.114 -2.705 -4.543 1.00 0.00 H new ATOM 0 HD1 HIS A 14 5.569 -0.068 -6.012 1.00 0.00 H new ATOM 0 HD2 HIS A 14 9.612 -0.849 -5.239 1.00 0.00 H new ATOM 0 HE1 HIS A 14 6.947 2.035 -6.696 1.00 0.00 H new ATOM 180 N GLY A 15 6.446 -5.135 -4.460 1.00 0.00 N ATOM 181 CA GLY A 15 6.702 -6.489 -4.004 1.00 0.00 C ATOM 182 C GLY A 15 7.280 -6.530 -2.604 1.00 0.00 C ATOM 183 O GLY A 15 6.876 -5.758 -1.735 1.00 0.00 O ATOM 0 H GLY A 15 5.860 -4.577 -3.839 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.773 -7.058 -4.027 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.392 -6.977 -4.693 1.00 0.00 H new ATOM 187 N ASN A 16 8.228 -7.435 -2.383 1.00 0.00 N ATOM 188 CA ASN A 16 8.862 -7.575 -1.076 1.00 0.00 C ATOM 189 C ASN A 16 9.869 -6.454 -0.837 1.00 0.00 C ATOM 190 O ASN A 16 11.040 -6.570 -1.200 1.00 0.00 O ATOM 191 CB ASN A 16 9.558 -8.933 -0.967 1.00 0.00 C ATOM 192 CG ASN A 16 10.081 -9.203 0.431 1.00 0.00 C ATOM 193 OD1 ASN A 16 9.322 -9.561 1.331 1.00 0.00 O ATOM 194 ND2 ASN A 16 11.385 -9.033 0.617 1.00 0.00 N ATOM 0 H ASN A 16 8.574 -8.082 -3.091 1.00 0.00 H new ATOM 0 HA ASN A 16 8.085 -7.510 -0.314 1.00 0.00 H new ATOM 0 HB2 ASN A 16 8.859 -9.720 -1.249 1.00 0.00 H new ATOM 0 HB3 ASN A 16 10.385 -8.972 -1.676 1.00 0.00 H new ATOM 0 HD21 ASN A 16 11.795 -9.201 1.536 1.00 0.00 H new ATOM 0 HD22 ASN A 16 11.976 -8.735 -0.159 1.00 0.00 H new ATOM 201 N ILE A 17 9.405 -5.370 -0.224 1.00 0.00 N ATOM 202 CA ILE A 17 10.265 -4.230 0.066 1.00 0.00 C ATOM 203 C ILE A 17 10.349 -3.971 1.566 1.00 0.00 C ATOM 204 O ILE A 17 9.509 -4.437 2.336 1.00 0.00 O ATOM 205 CB ILE A 17 9.764 -2.954 -0.636 1.00 0.00 C ATOM 206 CG1 ILE A 17 8.319 -2.657 -0.231 1.00 0.00 C ATOM 207 CG2 ILE A 17 9.876 -3.102 -2.146 1.00 0.00 C ATOM 208 CD1 ILE A 17 7.743 -1.430 -0.902 1.00 0.00 C ATOM 0 H ILE A 17 8.438 -5.258 0.081 1.00 0.00 H new ATOM 0 HA ILE A 17 11.256 -4.479 -0.313 1.00 0.00 H new ATOM 0 HB ILE A 17 10.389 -2.117 -0.325 1.00 0.00 H new ATOM 0 HG12 ILE A 17 7.698 -3.519 -0.474 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.273 -2.525 0.850 1.00 0.00 H new ATOM 0 HG21 ILE A 17 9.518 -2.192 -2.628 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.918 -3.272 -2.419 1.00 0.00 H new ATOM 0 HG23 ILE A 17 9.273 -3.948 -2.474 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.716 -1.281 -0.568 1.00 0.00 H new ATOM 0 HD12 ILE A 17 8.341 -0.557 -0.639 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.756 -1.567 -1.983 1.00 0.00 H new ATOM 220 N THR A 18 11.369 -3.224 1.976 1.00 0.00 N ATOM 221 CA THR A 18 11.564 -2.902 3.384 1.00 0.00 C ATOM 222 C THR A 18 10.864 -1.599 3.752 1.00 0.00 C ATOM 223 O THR A 18 10.576 -0.772 2.887 1.00 0.00 O ATOM 224 CB THR A 18 13.059 -2.784 3.733 1.00 0.00 C ATOM 225 OG1 THR A 18 13.231 -2.762 5.154 1.00 0.00 O ATOM 226 CG2 THR A 18 13.659 -1.525 3.125 1.00 0.00 C ATOM 0 H THR A 18 12.073 -2.830 1.352 1.00 0.00 H new ATOM 0 HA THR A 18 11.129 -3.720 3.958 1.00 0.00 H new ATOM 0 HB THR A 18 13.575 -3.650 3.319 1.00 0.00 H new ATOM 0 HG1 THR A 18 14.185 -2.689 5.367 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.716 -1.463 3.385 1.00 0.00 H new ATOM 0 HG22 THR A 18 13.554 -1.559 2.041 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.138 -0.650 3.513 1.00 0.00 H new ATOM 234 N ARG A 19 10.593 -1.421 5.041 1.00 0.00 N ATOM 235 CA ARG A 19 9.926 -0.218 5.523 1.00 0.00 C ATOM 236 C ARG A 19 10.542 1.032 4.900 1.00 0.00 C ATOM 237 O ARG A 19 9.834 1.880 4.356 1.00 0.00 O ATOM 238 CB ARG A 19 10.013 -0.136 7.048 1.00 0.00 C ATOM 239 CG ARG A 19 8.862 0.626 7.684 1.00 0.00 C ATOM 240 CD ARG A 19 9.216 1.104 9.084 1.00 0.00 C ATOM 241 NE ARG A 19 8.039 1.203 9.942 1.00 0.00 N ATOM 242 CZ ARG A 19 8.098 1.234 11.269 1.00 0.00 C ATOM 243 NH1 ARG A 19 9.270 1.173 11.886 1.00 0.00 N ATOM 244 NH2 ARG A 19 6.983 1.325 11.982 1.00 0.00 N ATOM 0 H ARG A 19 10.825 -2.095 5.770 1.00 0.00 H new ATOM 0 HA ARG A 19 8.878 -0.272 5.228 1.00 0.00 H new ATOM 0 HB2 ARG A 19 10.039 -1.146 7.457 1.00 0.00 H new ATOM 0 HB3 ARG A 19 10.952 0.344 7.325 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.603 1.482 7.061 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.981 -0.014 7.729 1.00 0.00 H new ATOM 0 HD2 ARG A 19 9.934 0.416 9.531 1.00 0.00 H new ATOM 0 HD3 ARG A 19 9.703 2.077 9.023 1.00 0.00 H new ATOM 0 HE ARG A 19 7.122 1.251 9.499 1.00 0.00 H new ATOM 0 HH11 ARG A 19 10.130 1.102 11.342 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.312 1.197 12.905 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.079 1.371 11.512 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.030 1.349 13.001 1.00 0.00 H new ATOM 258 N SER A 20 11.864 1.138 4.985 1.00 0.00 N ATOM 259 CA SER A 20 12.575 2.286 4.434 1.00 0.00 C ATOM 260 C SER A 20 12.245 2.471 2.956 1.00 0.00 C ATOM 261 O SER A 20 11.817 3.544 2.532 1.00 0.00 O ATOM 262 CB SER A 20 14.084 2.111 4.613 1.00 0.00 C ATOM 263 OG SER A 20 14.647 1.392 3.530 1.00 0.00 O ATOM 0 H SER A 20 12.464 0.444 5.430 1.00 0.00 H new ATOM 0 HA SER A 20 12.253 3.176 4.975 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.560 3.089 4.691 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.284 1.584 5.546 1.00 0.00 H new ATOM 0 HG SER A 20 15.612 1.295 3.668 1.00 0.00 H new ATOM 269 N LYS A 21 12.448 1.415 2.174 1.00 0.00 N ATOM 270 CA LYS A 21 12.172 1.458 0.743 1.00 0.00 C ATOM 271 C LYS A 21 10.736 1.900 0.479 1.00 0.00 C ATOM 272 O LYS A 21 10.495 2.826 -0.294 1.00 0.00 O ATOM 273 CB LYS A 21 12.417 0.084 0.115 1.00 0.00 C ATOM 274 CG LYS A 21 11.949 -0.018 -1.327 1.00 0.00 C ATOM 275 CD LYS A 21 13.044 0.385 -2.299 1.00 0.00 C ATOM 276 CE LYS A 21 12.992 1.872 -2.613 1.00 0.00 C ATOM 277 NZ LYS A 21 14.201 2.325 -3.355 1.00 0.00 N ATOM 0 H LYS A 21 12.803 0.519 2.508 1.00 0.00 H new ATOM 0 HA LYS A 21 12.846 2.184 0.289 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.482 -0.142 0.159 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.906 -0.674 0.709 1.00 0.00 H new ATOM 0 HG2 LYS A 21 11.634 -1.040 -1.536 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.078 0.621 -1.474 1.00 0.00 H new ATOM 0 HD2 LYS A 21 14.017 0.135 -1.876 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.941 -0.186 -3.222 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.102 2.087 -3.204 1.00 0.00 H new ATOM 0 HE3 LYS A 21 12.903 2.436 -1.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.135 3.347 -3.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 15.050 2.127 -2.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 14.263 1.817 -4.261 1.00 0.00 H new ATOM 291 N ALA A 22 9.787 1.233 1.127 1.00 0.00 N ATOM 292 CA ALA A 22 8.376 1.560 0.965 1.00 0.00 C ATOM 293 C ALA A 22 8.109 3.023 1.304 1.00 0.00 C ATOM 294 O ALA A 22 7.119 3.601 0.858 1.00 0.00 O ATOM 295 CB ALA A 22 7.520 0.650 1.833 1.00 0.00 C ATOM 0 H ALA A 22 9.970 0.462 1.770 1.00 0.00 H new ATOM 0 HA ALA A 22 8.110 1.402 -0.080 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.469 0.906 1.702 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.680 -0.388 1.541 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.797 0.779 2.879 1.00 0.00 H new ATOM 301 N GLU A 23 8.999 3.614 2.095 1.00 0.00 N ATOM 302 CA GLU A 23 8.857 5.009 2.495 1.00 0.00 C ATOM 303 C GLU A 23 9.465 5.939 1.449 1.00 0.00 C ATOM 304 O GLU A 23 8.756 6.708 0.801 1.00 0.00 O ATOM 305 CB GLU A 23 9.523 5.245 3.852 1.00 0.00 C ATOM 306 CG GLU A 23 8.671 4.808 5.032 1.00 0.00 C ATOM 307 CD GLU A 23 9.108 5.450 6.335 1.00 0.00 C ATOM 308 OE1 GLU A 23 10.300 5.803 6.452 1.00 0.00 O ATOM 309 OE2 GLU A 23 8.258 5.598 7.238 1.00 0.00 O ATOM 0 H GLU A 23 9.825 3.149 2.471 1.00 0.00 H new ATOM 0 HA GLU A 23 7.793 5.230 2.578 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.471 4.708 3.880 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.754 6.305 3.954 1.00 0.00 H new ATOM 0 HG2 GLU A 23 7.629 5.062 4.837 1.00 0.00 H new ATOM 0 HG3 GLU A 23 8.722 3.724 5.130 1.00 0.00 H new ATOM 316 N GLU A 24 10.783 5.862 1.292 1.00 0.00 N ATOM 317 CA GLU A 24 11.487 6.697 0.326 1.00 0.00 C ATOM 318 C GLU A 24 10.672 6.853 -0.955 1.00 0.00 C ATOM 319 O GLU A 24 10.652 7.923 -1.566 1.00 0.00 O ATOM 320 CB GLU A 24 12.857 6.098 0.002 1.00 0.00 C ATOM 321 CG GLU A 24 12.831 5.110 -1.152 1.00 0.00 C ATOM 322 CD GLU A 24 14.202 4.541 -1.464 1.00 0.00 C ATOM 323 OE1 GLU A 24 14.689 3.703 -0.677 1.00 0.00 O ATOM 324 OE2 GLU A 24 14.787 4.935 -2.495 1.00 0.00 O ATOM 0 H GLU A 24 11.384 5.230 1.821 1.00 0.00 H new ATOM 0 HA GLU A 24 11.626 7.683 0.770 1.00 0.00 H new ATOM 0 HB2 GLU A 24 13.550 6.905 -0.237 1.00 0.00 H new ATOM 0 HB3 GLU A 24 13.245 5.597 0.889 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.149 4.294 -0.912 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.436 5.604 -2.040 1.00 0.00 H new ATOM 331 N LEU A 25 10.000 5.779 -1.356 1.00 0.00 N ATOM 332 CA LEU A 25 9.183 5.795 -2.564 1.00 0.00 C ATOM 333 C LEU A 25 8.150 6.916 -2.508 1.00 0.00 C ATOM 334 O LEU A 25 7.991 7.676 -3.465 1.00 0.00 O ATOM 335 CB LEU A 25 8.482 4.448 -2.747 1.00 0.00 C ATOM 336 CG LEU A 25 9.363 3.290 -3.217 1.00 0.00 C ATOM 337 CD1 LEU A 25 8.627 1.967 -3.076 1.00 0.00 C ATOM 338 CD2 LEU A 25 9.804 3.507 -4.657 1.00 0.00 C ATOM 0 H LEU A 25 10.005 4.887 -0.862 1.00 0.00 H new ATOM 0 HA LEU A 25 9.840 5.974 -3.415 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.024 4.168 -1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.673 4.577 -3.466 1.00 0.00 H new ATOM 0 HG LEU A 25 10.252 3.256 -2.587 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.270 1.155 -3.415 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.362 1.808 -2.031 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.720 1.989 -3.681 1.00 0.00 H new ATOM 0 HD21 LEU A 25 10.430 2.674 -4.975 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.927 3.568 -5.301 1.00 0.00 H new ATOM 0 HD23 LEU A 25 10.372 4.435 -4.728 1.00 0.00 H new ATOM 350 N LEU A 26 7.452 7.015 -1.382 1.00 0.00 N ATOM 351 CA LEU A 26 6.436 8.045 -1.200 1.00 0.00 C ATOM 352 C LEU A 26 7.078 9.403 -0.938 1.00 0.00 C ATOM 353 O LEU A 26 6.712 10.403 -1.555 1.00 0.00 O ATOM 354 CB LEU A 26 5.508 7.674 -0.042 1.00 0.00 C ATOM 355 CG LEU A 26 4.283 6.834 -0.406 1.00 0.00 C ATOM 356 CD1 LEU A 26 4.697 5.422 -0.787 1.00 0.00 C ATOM 357 CD2 LEU A 26 3.292 6.808 0.749 1.00 0.00 C ATOM 0 H LEU A 26 7.571 6.394 -0.581 1.00 0.00 H new ATOM 0 HA LEU A 26 5.852 8.112 -2.118 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.089 7.130 0.703 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.165 8.594 0.432 1.00 0.00 H new ATOM 0 HG LEU A 26 3.796 7.292 -1.267 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.812 4.840 -1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.368 5.459 -1.645 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.209 4.954 0.054 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.427 6.206 0.472 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.769 6.375 1.628 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.970 7.824 0.975 1.00 0.00 H new ATOM 369 N SER A 27 8.038 9.431 -0.020 1.00 0.00 N ATOM 370 CA SER A 27 8.731 10.667 0.326 1.00 0.00 C ATOM 371 C SER A 27 9.264 11.358 -0.925 1.00 0.00 C ATOM 372 O SER A 27 8.832 12.457 -1.273 1.00 0.00 O ATOM 373 CB SER A 27 9.881 10.379 1.293 1.00 0.00 C ATOM 374 OG SER A 27 9.401 10.181 2.611 1.00 0.00 O ATOM 0 H SER A 27 8.354 8.611 0.498 1.00 0.00 H new ATOM 0 HA SER A 27 8.017 11.332 0.811 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.424 9.493 0.964 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.587 11.209 1.281 1.00 0.00 H new ATOM 0 HG SER A 27 10.155 9.997 3.209 1.00 0.00 H new ATOM 380 N ARG A 28 10.207 10.705 -1.598 1.00 0.00 N ATOM 381 CA ARG A 28 10.801 11.257 -2.810 1.00 0.00 C ATOM 382 C ARG A 28 9.759 12.007 -3.634 1.00 0.00 C ATOM 383 O ARG A 28 10.015 13.105 -4.129 1.00 0.00 O ATOM 384 CB ARG A 28 11.425 10.141 -3.651 1.00 0.00 C ATOM 385 CG ARG A 28 10.461 9.517 -4.646 1.00 0.00 C ATOM 386 CD ARG A 28 11.153 8.481 -5.517 1.00 0.00 C ATOM 387 NE ARG A 28 11.688 9.067 -6.744 1.00 0.00 N ATOM 388 CZ ARG A 28 12.590 8.466 -7.512 1.00 0.00 C ATOM 389 NH1 ARG A 28 13.056 7.270 -7.182 1.00 0.00 N ATOM 390 NH2 ARG A 28 13.029 9.063 -8.613 1.00 0.00 N ATOM 0 H ARG A 28 10.575 9.794 -1.324 1.00 0.00 H new ATOM 0 HA ARG A 28 11.580 11.960 -2.515 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.283 10.541 -4.191 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.801 9.364 -2.986 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.635 9.050 -4.110 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.032 10.296 -5.276 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.963 8.017 -4.954 1.00 0.00 H new ATOM 0 HD3 ARG A 28 10.447 7.690 -5.771 1.00 0.00 H new ATOM 0 HE ARG A 28 11.351 9.987 -7.026 1.00 0.00 H new ATOM 0 HH11 ARG A 28 12.722 6.808 -6.336 1.00 0.00 H new ATOM 0 HH12 ARG A 28 13.749 6.811 -7.774 1.00 0.00 H new ATOM 0 HH21 ARG A 28 12.674 9.984 -8.870 1.00 0.00 H new ATOM 0 HH22 ARG A 28 13.722 8.601 -9.202 1.00 0.00 H new ATOM 404 N THR A 29 8.581 11.407 -3.778 1.00 0.00 N ATOM 405 CA THR A 29 7.501 12.017 -4.543 1.00 0.00 C ATOM 406 C THR A 29 6.996 13.285 -3.865 1.00 0.00 C ATOM 407 O THR A 29 7.064 14.374 -4.435 1.00 0.00 O ATOM 408 CB THR A 29 6.322 11.042 -4.725 1.00 0.00 C ATOM 409 OG1 THR A 29 6.814 9.722 -4.984 1.00 0.00 O ATOM 410 CG2 THR A 29 5.424 11.487 -5.870 1.00 0.00 C ATOM 0 H THR A 29 8.351 10.499 -3.374 1.00 0.00 H new ATOM 0 HA THR A 29 7.909 12.269 -5.522 1.00 0.00 H new ATOM 0 HB THR A 29 5.737 11.038 -3.805 1.00 0.00 H new ATOM 0 HG1 THR A 29 7.023 9.279 -4.136 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.599 10.783 -5.980 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.028 12.480 -5.657 1.00 0.00 H new ATOM 0 HG23 THR A 29 6.001 11.517 -6.794 1.00 0.00 H new ATOM 418 N GLY A 30 6.489 13.138 -2.645 1.00 0.00 N ATOM 419 CA GLY A 30 5.980 14.281 -1.910 1.00 0.00 C ATOM 420 C GLY A 30 4.498 14.505 -2.139 1.00 0.00 C ATOM 421 O GLY A 30 3.761 14.836 -1.210 1.00 0.00 O ATOM 0 H GLY A 30 6.422 12.247 -2.152 1.00 0.00 H new ATOM 0 HA2 GLY A 30 6.162 14.135 -0.845 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.529 15.174 -2.207 1.00 0.00 H new ATOM 425 N LYS A 31 4.060 14.327 -3.381 1.00 0.00 N ATOM 426 CA LYS A 31 2.657 14.512 -3.731 1.00 0.00 C ATOM 427 C LYS A 31 1.746 13.906 -2.667 1.00 0.00 C ATOM 428 O LYS A 31 2.043 12.848 -2.112 1.00 0.00 O ATOM 429 CB LYS A 31 2.361 13.877 -5.092 1.00 0.00 C ATOM 430 CG LYS A 31 3.060 14.568 -6.250 1.00 0.00 C ATOM 431 CD LYS A 31 3.174 13.654 -7.458 1.00 0.00 C ATOM 432 CE LYS A 31 3.206 14.446 -8.756 1.00 0.00 C ATOM 433 NZ LYS A 31 3.071 13.564 -9.948 1.00 0.00 N ATOM 0 H LYS A 31 4.657 14.055 -4.162 1.00 0.00 H new ATOM 0 HA LYS A 31 2.461 15.583 -3.786 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.663 12.830 -5.069 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.285 13.894 -5.265 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.509 15.468 -6.524 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.055 14.886 -5.938 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.079 13.052 -7.376 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.331 12.963 -7.473 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.400 15.179 -8.754 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.142 15.001 -8.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.097 14.142 -10.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.855 12.880 -9.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.167 13.053 -9.901 1.00 0.00 H new ATOM 447 N ASP A 32 0.637 14.583 -2.390 1.00 0.00 N ATOM 448 CA ASP A 32 -0.318 14.110 -1.395 1.00 0.00 C ATOM 449 C ASP A 32 -1.322 13.146 -2.020 1.00 0.00 C ATOM 450 O ASP A 32 -2.510 13.176 -1.699 1.00 0.00 O ATOM 451 CB ASP A 32 -1.054 15.291 -0.761 1.00 0.00 C ATOM 452 CG ASP A 32 -1.941 16.020 -1.751 1.00 0.00 C ATOM 453 OD1 ASP A 32 -1.427 16.446 -2.807 1.00 0.00 O ATOM 454 OD2 ASP A 32 -3.149 16.163 -1.471 1.00 0.00 O ATOM 0 H ASP A 32 0.377 15.461 -2.840 1.00 0.00 H new ATOM 0 HA ASP A 32 0.236 13.579 -0.621 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.661 14.933 0.071 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.326 15.989 -0.347 1.00 0.00 H new ATOM 459 N GLY A 33 -0.836 12.292 -2.916 1.00 0.00 N ATOM 460 CA GLY A 33 -1.704 11.332 -3.573 1.00 0.00 C ATOM 461 C GLY A 33 -0.963 10.084 -4.010 1.00 0.00 C ATOM 462 O GLY A 33 -1.488 9.281 -4.782 1.00 0.00 O ATOM 0 H GLY A 33 0.143 12.248 -3.198 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.511 11.053 -2.895 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.166 11.800 -4.443 1.00 0.00 H new ATOM 466 N SER A 34 0.260 9.921 -3.517 1.00 0.00 N ATOM 467 CA SER A 34 1.077 8.765 -3.866 1.00 0.00 C ATOM 468 C SER A 34 0.565 7.508 -3.169 1.00 0.00 C ATOM 469 O SER A 34 0.051 7.569 -2.052 1.00 0.00 O ATOM 470 CB SER A 34 2.538 9.012 -3.486 1.00 0.00 C ATOM 471 OG SER A 34 3.100 10.050 -4.270 1.00 0.00 O ATOM 0 H SER A 34 0.707 10.575 -2.875 1.00 0.00 H new ATOM 0 HA SER A 34 1.010 8.616 -4.944 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.603 9.274 -2.430 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.113 8.096 -3.624 1.00 0.00 H new ATOM 0 HG SER A 34 3.540 10.701 -3.684 1.00 0.00 H new ATOM 477 N PHE A 35 0.708 6.368 -3.838 1.00 0.00 N ATOM 478 CA PHE A 35 0.259 5.096 -3.285 1.00 0.00 C ATOM 479 C PHE A 35 0.926 3.926 -4.003 1.00 0.00 C ATOM 480 O PHE A 35 1.196 3.991 -5.203 1.00 0.00 O ATOM 481 CB PHE A 35 -1.262 4.976 -3.396 1.00 0.00 C ATOM 482 CG PHE A 35 -1.740 4.663 -4.785 1.00 0.00 C ATOM 483 CD1 PHE A 35 -1.824 5.660 -5.744 1.00 0.00 C ATOM 484 CD2 PHE A 35 -2.106 3.372 -5.132 1.00 0.00 C ATOM 485 CE1 PHE A 35 -2.263 5.375 -7.023 1.00 0.00 C ATOM 486 CE2 PHE A 35 -2.545 3.082 -6.410 1.00 0.00 C ATOM 487 CZ PHE A 35 -2.625 4.085 -7.356 1.00 0.00 C ATOM 0 H PHE A 35 1.131 6.300 -4.764 1.00 0.00 H new ATOM 0 HA PHE A 35 0.543 5.065 -2.233 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -1.607 4.196 -2.717 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.717 5.910 -3.066 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.543 6.671 -5.489 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -2.048 2.584 -4.396 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.323 6.161 -7.761 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -2.825 2.072 -6.669 1.00 0.00 H new ATOM 0 HZ PHE A 35 -2.970 3.861 -8.354 1.00 0.00 H new ATOM 497 N LEU A 36 1.189 2.857 -3.260 1.00 0.00 N ATOM 498 CA LEU A 36 1.825 1.671 -3.823 1.00 0.00 C ATOM 499 C LEU A 36 1.408 0.416 -3.063 1.00 0.00 C ATOM 500 O LEU A 36 0.658 0.488 -2.089 1.00 0.00 O ATOM 501 CB LEU A 36 3.347 1.820 -3.790 1.00 0.00 C ATOM 502 CG LEU A 36 3.957 2.168 -2.432 1.00 0.00 C ATOM 503 CD1 LEU A 36 4.200 0.907 -1.617 1.00 0.00 C ATOM 504 CD2 LEU A 36 5.253 2.945 -2.613 1.00 0.00 C ATOM 0 H LEU A 36 0.972 2.787 -2.266 1.00 0.00 H new ATOM 0 HA LEU A 36 1.499 1.571 -4.858 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.791 0.887 -4.137 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.632 2.594 -4.503 1.00 0.00 H new ATOM 0 HG LEU A 36 3.252 2.797 -1.889 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.634 1.174 -0.654 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.254 0.389 -1.457 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.886 0.253 -2.155 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.673 3.184 -1.636 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.964 2.340 -3.176 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.051 3.868 -3.157 1.00 0.00 H new ATOM 516 N VAL A 37 1.902 -0.734 -3.512 1.00 0.00 N ATOM 517 CA VAL A 37 1.584 -2.004 -2.872 1.00 0.00 C ATOM 518 C VAL A 37 2.836 -2.854 -2.685 1.00 0.00 C ATOM 519 O VAL A 37 3.652 -2.985 -3.597 1.00 0.00 O ATOM 520 CB VAL A 37 0.553 -2.803 -3.692 1.00 0.00 C ATOM 521 CG1 VAL A 37 0.251 -4.134 -3.019 1.00 0.00 C ATOM 522 CG2 VAL A 37 -0.720 -1.992 -3.882 1.00 0.00 C ATOM 0 H VAL A 37 2.524 -0.811 -4.317 1.00 0.00 H new ATOM 0 HA VAL A 37 1.159 -1.769 -1.896 1.00 0.00 H new ATOM 0 HB VAL A 37 0.977 -3.008 -4.675 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.479 -4.684 -3.612 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.168 -4.718 -2.939 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.153 -3.955 -2.023 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.437 -2.571 -4.463 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.149 -1.755 -2.908 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.487 -1.068 -4.411 1.00 0.00 H new ATOM 532 N ARG A 38 2.981 -3.429 -1.495 1.00 0.00 N ATOM 533 CA ARG A 38 4.135 -4.266 -1.187 1.00 0.00 C ATOM 534 C ARG A 38 3.695 -5.604 -0.600 1.00 0.00 C ATOM 535 O ARG A 38 2.507 -5.831 -0.369 1.00 0.00 O ATOM 536 CB ARG A 38 5.065 -3.548 -0.208 1.00 0.00 C ATOM 537 CG ARG A 38 4.379 -3.113 1.077 1.00 0.00 C ATOM 538 CD ARG A 38 5.183 -2.047 1.804 1.00 0.00 C ATOM 539 NE ARG A 38 6.166 -2.628 2.715 1.00 0.00 N ATOM 540 CZ ARG A 38 5.851 -3.171 3.886 1.00 0.00 C ATOM 541 NH1 ARG A 38 4.588 -3.206 4.286 1.00 0.00 N ATOM 542 NH2 ARG A 38 6.802 -3.679 4.659 1.00 0.00 N ATOM 0 H ARG A 38 2.314 -3.331 -0.729 1.00 0.00 H new ATOM 0 HA ARG A 38 4.673 -4.456 -2.116 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.897 -4.207 0.040 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.488 -2.671 -0.699 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.385 -2.728 0.848 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.244 -3.976 1.729 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.693 -1.417 1.075 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.506 -1.402 2.365 1.00 0.00 H new ATOM 0 HE ARG A 38 7.147 -2.616 2.437 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.855 -2.815 3.694 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.349 -3.624 5.185 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.775 -3.653 4.354 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.560 -4.096 5.558 1.00 0.00 H new ATOM 556 N ALA A 39 4.660 -6.486 -0.362 1.00 0.00 N ATOM 557 CA ALA A 39 4.372 -7.800 0.199 1.00 0.00 C ATOM 558 C ALA A 39 4.816 -7.884 1.656 1.00 0.00 C ATOM 559 O ALA A 39 6.007 -7.801 1.957 1.00 0.00 O ATOM 560 CB ALA A 39 5.049 -8.885 -0.624 1.00 0.00 C ATOM 0 H ALA A 39 5.648 -6.314 -0.549 1.00 0.00 H new ATOM 0 HA ALA A 39 3.293 -7.954 0.165 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.825 -9.861 -0.194 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.680 -8.847 -1.649 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.127 -8.725 -0.620 1.00 0.00 H new ATOM 566 N SER A 40 3.851 -8.047 2.555 1.00 0.00 N ATOM 567 CA SER A 40 4.143 -8.138 3.981 1.00 0.00 C ATOM 568 C SER A 40 5.235 -9.170 4.248 1.00 0.00 C ATOM 569 O SER A 40 5.281 -10.219 3.608 1.00 0.00 O ATOM 570 CB SER A 40 2.878 -8.504 4.760 1.00 0.00 C ATOM 571 OG SER A 40 3.190 -8.889 6.087 1.00 0.00 O ATOM 0 H SER A 40 2.861 -8.119 2.322 1.00 0.00 H new ATOM 0 HA SER A 40 4.499 -7.164 4.316 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.198 -7.653 4.775 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.359 -9.318 4.254 1.00 0.00 H new ATOM 0 HG SER A 40 2.365 -9.116 6.564 1.00 0.00 H new ATOM 657 N ALA A 46 -0.224 -12.104 1.671 1.00 0.00 N ATOM 658 CA ALA A 46 -0.841 -10.823 1.995 1.00 0.00 C ATOM 659 C ALA A 46 -0.151 -9.680 1.259 1.00 0.00 C ATOM 660 O ALA A 46 0.805 -9.896 0.513 1.00 0.00 O ATOM 661 CB ALA A 46 -0.803 -10.585 3.497 1.00 0.00 C ATOM 0 HA ALA A 46 -1.881 -10.855 1.669 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.267 -9.625 3.725 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.347 -11.381 4.005 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.232 -10.578 3.838 1.00 0.00 H new ATOM 667 N TYR A 47 -0.641 -8.464 1.472 1.00 0.00 N ATOM 668 CA TYR A 47 -0.074 -7.287 0.826 1.00 0.00 C ATOM 669 C TYR A 47 -0.177 -6.064 1.733 1.00 0.00 C ATOM 670 O TYR A 47 -0.788 -6.119 2.800 1.00 0.00 O ATOM 671 CB TYR A 47 -0.786 -7.014 -0.500 1.00 0.00 C ATOM 672 CG TYR A 47 -0.409 -7.980 -1.600 1.00 0.00 C ATOM 673 CD1 TYR A 47 0.871 -7.984 -2.140 1.00 0.00 C ATOM 674 CD2 TYR A 47 -1.333 -8.889 -2.099 1.00 0.00 C ATOM 675 CE1 TYR A 47 1.220 -8.864 -3.146 1.00 0.00 C ATOM 676 CE2 TYR A 47 -0.993 -9.775 -3.104 1.00 0.00 C ATOM 677 CZ TYR A 47 0.284 -9.758 -3.624 1.00 0.00 C ATOM 678 OH TYR A 47 0.628 -10.638 -4.625 1.00 0.00 O ATOM 0 H TYR A 47 -1.430 -8.268 2.088 1.00 0.00 H new ATOM 0 HA TYR A 47 0.980 -7.484 0.631 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.863 -7.061 -0.341 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.555 -5.999 -0.824 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.606 -7.287 -1.767 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.334 -8.904 -1.695 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.219 -8.852 -3.556 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.723 -10.476 -3.480 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.144 -11.200 -4.846 1.00 0.00 H new ATOM 688 N ALA A 48 0.425 -4.962 1.300 1.00 0.00 N ATOM 689 CA ALA A 48 0.399 -3.725 2.070 1.00 0.00 C ATOM 690 C ALA A 48 0.326 -2.508 1.153 1.00 0.00 C ATOM 691 O ALA A 48 1.287 -2.190 0.450 1.00 0.00 O ATOM 692 CB ALA A 48 1.623 -3.637 2.969 1.00 0.00 C ATOM 0 H ALA A 48 0.937 -4.900 0.420 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.496 -3.733 2.692 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.590 -2.708 3.538 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.632 -4.483 3.656 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.525 -3.657 2.358 1.00 0.00 H new ATOM 698 N LEU A 49 -0.817 -1.833 1.163 1.00 0.00 N ATOM 699 CA LEU A 49 -1.016 -0.651 0.331 1.00 0.00 C ATOM 700 C LEU A 49 -0.653 0.619 1.094 1.00 0.00 C ATOM 701 O LEU A 49 -1.298 0.965 2.085 1.00 0.00 O ATOM 702 CB LEU A 49 -2.467 -0.577 -0.145 1.00 0.00 C ATOM 703 CG LEU A 49 -2.921 0.771 -0.707 1.00 0.00 C ATOM 704 CD1 LEU A 49 -2.391 0.967 -2.119 1.00 0.00 C ATOM 705 CD2 LEU A 49 -4.439 0.874 -0.686 1.00 0.00 C ATOM 0 H LEU A 49 -1.621 -2.084 1.738 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.360 -0.732 -0.536 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.616 -1.337 -0.912 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.116 -0.837 0.691 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.515 1.561 -0.076 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.724 1.931 -2.502 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.301 0.939 -2.106 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.767 0.171 -2.762 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.744 1.840 -1.089 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.866 0.076 -1.293 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.796 0.780 0.340 1.00 0.00 H new ATOM 717 N CYS A 50 0.380 1.310 0.626 1.00 0.00 N ATOM 718 CA CYS A 50 0.827 2.543 1.263 1.00 0.00 C ATOM 719 C CYS A 50 0.195 3.760 0.596 1.00 0.00 C ATOM 720 O CYS A 50 -0.240 3.695 -0.554 1.00 0.00 O ATOM 721 CB CYS A 50 2.352 2.648 1.204 1.00 0.00 C ATOM 722 SG CYS A 50 3.218 1.312 2.061 1.00 0.00 S ATOM 0 H CYS A 50 0.924 1.037 -0.193 1.00 0.00 H new ATOM 0 HA CYS A 50 0.512 2.519 2.306 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.665 2.658 0.160 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.657 3.601 1.637 1.00 0.00 H new ATOM 0 HG CYS A 50 4.436 1.683 2.325 1.00 0.00 H new ATOM 728 N VAL A 51 0.147 4.870 1.325 1.00 0.00 N ATOM 729 CA VAL A 51 -0.432 6.103 0.805 1.00 0.00 C ATOM 730 C VAL A 51 0.184 7.326 1.475 1.00 0.00 C ATOM 731 O VAL A 51 0.268 7.399 2.701 1.00 0.00 O ATOM 732 CB VAL A 51 -1.959 6.135 1.008 1.00 0.00 C ATOM 733 CG1 VAL A 51 -2.542 7.432 0.468 1.00 0.00 C ATOM 734 CG2 VAL A 51 -2.610 4.931 0.344 1.00 0.00 C ATOM 0 H VAL A 51 0.502 4.941 2.278 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.214 6.129 -0.263 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.167 6.088 2.077 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.621 7.437 0.620 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.098 8.277 0.994 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.325 7.513 -0.597 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.688 4.970 0.497 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.395 4.944 -0.724 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.214 4.015 0.783 1.00 0.00 H new ATOM 744 N LEU A 52 0.614 8.285 0.662 1.00 0.00 N ATOM 745 CA LEU A 52 1.223 9.507 1.176 1.00 0.00 C ATOM 746 C LEU A 52 0.165 10.574 1.437 1.00 0.00 C ATOM 747 O LEU A 52 -0.689 10.837 0.590 1.00 0.00 O ATOM 748 CB LEU A 52 2.264 10.035 0.187 1.00 0.00 C ATOM 749 CG LEU A 52 3.203 11.119 0.717 1.00 0.00 C ATOM 750 CD1 LEU A 52 3.934 10.632 1.959 1.00 0.00 C ATOM 751 CD2 LEU A 52 4.195 11.538 -0.358 1.00 0.00 C ATOM 0 H LEU A 52 0.552 8.240 -0.355 1.00 0.00 H new ATOM 0 HA LEU A 52 1.714 9.271 2.120 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.868 9.195 -0.157 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.741 10.429 -0.684 1.00 0.00 H new ATOM 0 HG LEU A 52 2.605 11.989 0.990 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.598 11.417 2.322 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.209 10.383 2.734 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.520 9.747 1.713 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.855 12.310 0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.787 10.675 -0.663 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.654 11.929 -1.220 1.00 0.00 H new ATOM 763 N TYR A 53 0.230 11.187 2.614 1.00 0.00 N ATOM 764 CA TYR A 53 -0.722 12.226 2.987 1.00 0.00 C ATOM 765 C TYR A 53 -0.175 13.085 4.123 1.00 0.00 C ATOM 766 O TYR A 53 0.291 12.567 5.139 1.00 0.00 O ATOM 767 CB TYR A 53 -2.055 11.601 3.403 1.00 0.00 C ATOM 768 CG TYR A 53 -3.133 12.617 3.703 1.00 0.00 C ATOM 769 CD1 TYR A 53 -3.555 13.519 2.734 1.00 0.00 C ATOM 770 CD2 TYR A 53 -3.730 12.676 4.956 1.00 0.00 C ATOM 771 CE1 TYR A 53 -4.539 14.450 3.004 1.00 0.00 C ATOM 772 CE2 TYR A 53 -4.717 13.602 5.235 1.00 0.00 C ATOM 773 CZ TYR A 53 -5.117 14.487 4.256 1.00 0.00 C ATOM 774 OH TYR A 53 -6.098 15.412 4.530 1.00 0.00 O ATOM 0 H TYR A 53 0.932 10.982 3.325 1.00 0.00 H new ATOM 0 HA TYR A 53 -0.882 12.864 2.118 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.401 10.941 2.608 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.896 10.981 4.285 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.106 13.492 1.752 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.417 11.986 5.726 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.854 15.145 2.240 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -5.172 13.632 6.214 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.400 15.304 5.456 1.00 0.00 H new ATOM 784 N ARG A 54 -0.234 14.400 3.944 1.00 0.00 N ATOM 785 CA ARG A 54 0.256 15.332 4.953 1.00 0.00 C ATOM 786 C ARG A 54 1.631 14.908 5.461 1.00 0.00 C ATOM 787 O ARG A 54 1.901 14.955 6.661 1.00 0.00 O ATOM 788 CB ARG A 54 -0.728 15.415 6.121 1.00 0.00 C ATOM 789 CG ARG A 54 -2.185 15.454 5.689 1.00 0.00 C ATOM 790 CD ARG A 54 -2.624 16.867 5.336 1.00 0.00 C ATOM 791 NE ARG A 54 -3.163 17.577 6.493 1.00 0.00 N ATOM 792 CZ ARG A 54 -3.322 18.896 6.537 1.00 0.00 C ATOM 793 NH1 ARG A 54 -2.985 19.642 5.494 1.00 0.00 N ATOM 794 NH2 ARG A 54 -3.819 19.469 7.625 1.00 0.00 N ATOM 0 H ARG A 54 -0.616 14.845 3.109 1.00 0.00 H new ATOM 0 HA ARG A 54 0.345 16.316 4.492 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.575 14.557 6.776 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.508 16.307 6.708 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.328 14.802 4.828 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.814 15.066 6.490 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.776 17.421 4.934 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.379 16.827 4.551 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.432 17.031 7.312 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.603 19.204 4.656 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.108 20.654 5.530 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -4.079 18.897 8.429 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.941 20.481 7.658 1.00 0.00 H new ATOM 808 N ASN A 55 2.495 14.495 4.540 1.00 0.00 N ATOM 809 CA ASN A 55 3.842 14.062 4.895 1.00 0.00 C ATOM 810 C ASN A 55 3.797 12.874 5.852 1.00 0.00 C ATOM 811 O ASN A 55 4.467 12.871 6.886 1.00 0.00 O ATOM 812 CB ASN A 55 4.619 15.215 5.533 1.00 0.00 C ATOM 813 CG ASN A 55 5.364 16.047 4.507 1.00 0.00 C ATOM 814 OD1 ASN A 55 5.750 15.549 3.449 1.00 0.00 O ATOM 815 ND2 ASN A 55 5.570 17.322 4.816 1.00 0.00 N ATOM 0 H ASN A 55 2.287 14.451 3.542 1.00 0.00 H new ATOM 0 HA ASN A 55 4.350 13.752 3.982 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.929 15.854 6.083 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.329 14.815 6.257 1.00 0.00 H new ATOM 0 HD21 ASN A 55 6.066 17.931 4.165 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.232 17.692 5.704 1.00 0.00 H new ATOM 822 N CYS A 56 3.005 11.868 5.500 1.00 0.00 N ATOM 823 CA CYS A 56 2.872 10.674 6.327 1.00 0.00 C ATOM 824 C CYS A 56 2.542 9.454 5.472 1.00 0.00 C ATOM 825 O CYS A 56 1.702 9.521 4.575 1.00 0.00 O ATOM 826 CB CYS A 56 1.787 10.879 7.385 1.00 0.00 C ATOM 827 SG CYS A 56 2.387 11.614 8.924 1.00 0.00 S ATOM 0 H CYS A 56 2.445 11.855 4.648 1.00 0.00 H new ATOM 0 HA CYS A 56 3.826 10.499 6.825 1.00 0.00 H new ATOM 0 HB2 CYS A 56 1.006 11.517 6.971 1.00 0.00 H new ATOM 0 HB3 CYS A 56 1.327 9.917 7.610 1.00 0.00 H new ATOM 0 HG CYS A 56 3.404 12.383 8.670 1.00 0.00 H new ATOM 833 N VAL A 57 3.211 8.341 5.755 1.00 0.00 N ATOM 834 CA VAL A 57 2.990 7.106 5.012 1.00 0.00 C ATOM 835 C VAL A 57 1.981 6.211 5.723 1.00 0.00 C ATOM 836 O VAL A 57 2.214 5.766 6.847 1.00 0.00 O ATOM 837 CB VAL A 57 4.303 6.326 4.815 1.00 0.00 C ATOM 838 CG1 VAL A 57 4.029 4.967 4.189 1.00 0.00 C ATOM 839 CG2 VAL A 57 5.276 7.128 3.964 1.00 0.00 C ATOM 0 H VAL A 57 3.911 8.269 6.494 1.00 0.00 H new ATOM 0 HA VAL A 57 2.596 7.390 4.036 1.00 0.00 H new ATOM 0 HB VAL A 57 4.759 6.163 5.792 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.969 4.431 4.058 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.371 4.392 4.841 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.550 5.103 3.219 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.198 6.562 3.835 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.831 7.323 2.989 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.497 8.074 4.458 1.00 0.00 H new ATOM 849 N TYR A 58 0.860 5.949 5.059 1.00 0.00 N ATOM 850 CA TYR A 58 -0.186 5.107 5.628 1.00 0.00 C ATOM 851 C TYR A 58 -0.101 3.687 5.078 1.00 0.00 C ATOM 852 O TYR A 58 -0.703 3.368 4.052 1.00 0.00 O ATOM 853 CB TYR A 58 -1.564 5.700 5.331 1.00 0.00 C ATOM 854 CG TYR A 58 -1.893 6.916 6.168 1.00 0.00 C ATOM 855 CD1 TYR A 58 -1.318 8.150 5.892 1.00 0.00 C ATOM 856 CD2 TYR A 58 -2.779 6.830 7.235 1.00 0.00 C ATOM 857 CE1 TYR A 58 -1.615 9.263 6.654 1.00 0.00 C ATOM 858 CE2 TYR A 58 -3.083 7.938 8.002 1.00 0.00 C ATOM 859 CZ TYR A 58 -2.499 9.153 7.707 1.00 0.00 C ATOM 860 OH TYR A 58 -2.798 10.258 8.469 1.00 0.00 O ATOM 0 H TYR A 58 0.653 6.307 4.127 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.040 5.068 6.707 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -1.614 5.971 4.276 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.323 4.936 5.500 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -0.627 8.241 5.067 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -3.238 5.881 7.469 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -1.157 10.214 6.427 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -3.774 7.854 8.828 1.00 0.00 H new ATOM 0 HH TYR A 58 -3.437 10.009 9.169 1.00 0.00 H new ATOM 870 N THR A 59 0.650 2.835 5.769 1.00 0.00 N ATOM 871 CA THR A 59 0.814 1.448 5.352 1.00 0.00 C ATOM 872 C THR A 59 -0.401 0.611 5.733 1.00 0.00 C ATOM 873 O THR A 59 -0.689 0.419 6.915 1.00 0.00 O ATOM 874 CB THR A 59 2.074 0.819 5.977 1.00 0.00 C ATOM 875 OG1 THR A 59 3.184 1.714 5.848 1.00 0.00 O ATOM 876 CG2 THR A 59 2.404 -0.507 5.310 1.00 0.00 C ATOM 0 H THR A 59 1.155 3.082 6.620 1.00 0.00 H new ATOM 0 HA THR A 59 0.920 1.455 4.267 1.00 0.00 H new ATOM 0 HB THR A 59 1.877 0.637 7.033 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.980 1.307 6.249 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.297 -0.932 5.768 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.569 -1.196 5.436 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.583 -0.345 4.247 1.00 0.00 H new ATOM 884 N TYR A 60 -1.111 0.115 4.726 1.00 0.00 N ATOM 885 CA TYR A 60 -2.297 -0.701 4.957 1.00 0.00 C ATOM 886 C TYR A 60 -1.965 -2.186 4.858 1.00 0.00 C ATOM 887 O TYR A 60 -0.835 -2.561 4.544 1.00 0.00 O ATOM 888 CB TYR A 60 -3.392 -0.343 3.949 1.00 0.00 C ATOM 889 CG TYR A 60 -4.127 0.935 4.282 1.00 0.00 C ATOM 890 CD1 TYR A 60 -5.169 0.941 5.200 1.00 0.00 C ATOM 891 CD2 TYR A 60 -3.778 2.137 3.679 1.00 0.00 C ATOM 892 CE1 TYR A 60 -5.844 2.107 5.507 1.00 0.00 C ATOM 893 CE2 TYR A 60 -4.446 3.308 3.980 1.00 0.00 C ATOM 894 CZ TYR A 60 -5.479 3.288 4.894 1.00 0.00 C ATOM 895 OH TYR A 60 -6.148 4.451 5.198 1.00 0.00 O ATOM 0 H TYR A 60 -0.886 0.264 3.742 1.00 0.00 H new ATOM 0 HA TYR A 60 -2.658 -0.495 5.965 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.946 -0.248 2.959 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.109 -1.162 3.898 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -5.457 0.018 5.682 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -2.970 2.156 2.962 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.653 2.094 6.223 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.161 4.234 3.502 1.00 0.00 H new ATOM 0 HH TYR A 60 -5.631 5.219 4.878 1.00 0.00 H new ATOM 905 N ARG A 61 -2.958 -3.028 5.127 1.00 0.00 N ATOM 906 CA ARG A 61 -2.772 -4.473 5.068 1.00 0.00 C ATOM 907 C ARG A 61 -3.912 -5.137 4.303 1.00 0.00 C ATOM 908 O ARG A 61 -5.080 -4.796 4.490 1.00 0.00 O ATOM 909 CB ARG A 61 -2.684 -5.054 6.481 1.00 0.00 C ATOM 910 CG ARG A 61 -1.343 -4.817 7.155 1.00 0.00 C ATOM 911 CD ARG A 61 -0.275 -5.754 6.616 1.00 0.00 C ATOM 912 NE ARG A 61 0.822 -5.937 7.562 1.00 0.00 N ATOM 913 CZ ARG A 61 0.762 -6.753 8.608 1.00 0.00 C ATOM 914 NH1 ARG A 61 -0.336 -7.460 8.840 1.00 0.00 N ATOM 915 NH2 ARG A 61 1.802 -6.866 9.425 1.00 0.00 N ATOM 0 H ARG A 61 -3.899 -2.734 5.388 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.839 -4.674 4.541 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.472 -4.616 7.094 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.874 -6.126 6.436 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.034 -3.783 6.999 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.445 -4.960 8.231 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.723 -6.721 6.389 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.117 -5.357 5.680 1.00 0.00 H new ATOM 0 HE ARG A 61 1.682 -5.409 7.411 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.137 -7.378 8.214 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.379 -8.086 9.644 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.649 -6.326 9.250 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.754 -7.493 10.228 1.00 0.00 H new ATOM 929 N ILE A 62 -3.565 -6.086 3.440 1.00 0.00 N ATOM 930 CA ILE A 62 -4.559 -6.798 2.646 1.00 0.00 C ATOM 931 C ILE A 62 -4.392 -8.307 2.782 1.00 0.00 C ATOM 932 O ILE A 62 -3.555 -8.914 2.111 1.00 0.00 O ATOM 933 CB ILE A 62 -4.470 -6.415 1.157 1.00 0.00 C ATOM 934 CG1 ILE A 62 -4.504 -4.893 0.997 1.00 0.00 C ATOM 935 CG2 ILE A 62 -5.605 -7.060 0.376 1.00 0.00 C ATOM 936 CD1 ILE A 62 -3.136 -4.250 1.056 1.00 0.00 C ATOM 0 H ILE A 62 -2.603 -6.380 3.273 1.00 0.00 H new ATOM 0 HA ILE A 62 -5.537 -6.507 3.029 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.525 -6.783 0.758 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -4.972 -4.646 0.044 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.131 -4.467 1.780 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.529 -6.780 -0.675 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.540 -8.144 0.468 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -6.561 -6.719 0.774 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.236 -3.171 0.936 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.673 -4.467 2.019 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.512 -4.648 0.256 1.00 0.00 H new ATOM 948 N LEU A 63 -5.194 -8.910 3.653 1.00 0.00 N ATOM 949 CA LEU A 63 -5.137 -10.350 3.876 1.00 0.00 C ATOM 950 C LEU A 63 -6.149 -11.078 2.996 1.00 0.00 C ATOM 951 O LEU A 63 -7.222 -10.561 2.685 1.00 0.00 O ATOM 952 CB LEU A 63 -5.402 -10.669 5.348 1.00 0.00 C ATOM 953 CG LEU A 63 -4.294 -10.283 6.329 1.00 0.00 C ATOM 954 CD1 LEU A 63 -3.224 -11.362 6.376 1.00 0.00 C ATOM 955 CD2 LEU A 63 -3.686 -8.942 5.945 1.00 0.00 C ATOM 0 H LEU A 63 -5.891 -8.424 4.216 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.138 -10.694 3.610 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.319 -10.163 5.649 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.584 -11.740 5.440 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.731 -10.190 7.323 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.444 -11.070 7.079 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.670 -12.303 6.699 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.790 -11.488 5.384 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.899 -8.683 6.654 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.264 -9.008 4.942 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.459 -8.173 5.964 1.00 0.00 H new ATOM 967 N PRO A 64 -5.801 -12.307 2.587 1.00 0.00 N ATOM 968 CA PRO A 64 -6.667 -13.133 1.740 1.00 0.00 C ATOM 969 C PRO A 64 -7.906 -13.624 2.481 1.00 0.00 C ATOM 970 O PRO A 64 -7.891 -13.775 3.701 1.00 0.00 O ATOM 971 CB PRO A 64 -5.769 -14.313 1.360 1.00 0.00 C ATOM 972 CG PRO A 64 -4.769 -14.398 2.461 1.00 0.00 C ATOM 973 CD PRO A 64 -4.538 -12.985 2.920 1.00 0.00 C ATOM 0 HA PRO A 64 -7.050 -12.577 0.884 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.343 -15.236 1.274 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.285 -14.148 0.397 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.139 -15.018 3.277 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -3.841 -14.851 2.112 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.327 -12.939 3.988 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.690 -12.530 2.408 1.00 0.00 H new ATOM 981 N ASN A 65 -8.977 -13.871 1.734 1.00 0.00 N ATOM 982 CA ASN A 65 -10.225 -14.345 2.320 1.00 0.00 C ATOM 983 C ASN A 65 -10.515 -15.781 1.897 1.00 0.00 C ATOM 984 O ASN A 65 -9.706 -16.414 1.219 1.00 0.00 O ATOM 985 CB ASN A 65 -11.385 -13.436 1.907 1.00 0.00 C ATOM 986 CG ASN A 65 -11.011 -11.967 1.949 1.00 0.00 C ATOM 987 OD1 ASN A 65 -10.820 -11.333 0.910 1.00 0.00 O ATOM 988 ND2 ASN A 65 -10.904 -11.418 3.153 1.00 0.00 N ATOM 0 H ASN A 65 -9.006 -13.751 0.722 1.00 0.00 H new ATOM 0 HA ASN A 65 -10.120 -14.319 3.405 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -11.707 -13.698 0.899 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -12.234 -13.611 2.568 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -10.655 -10.433 3.244 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -11.071 -11.981 3.987 1.00 0.00 H new ATOM 995 N GLU A 66 -11.675 -16.289 2.301 1.00 0.00 N ATOM 996 CA GLU A 66 -12.071 -17.652 1.964 1.00 0.00 C ATOM 997 C GLU A 66 -11.892 -17.916 0.472 1.00 0.00 C ATOM 998 O GLU A 66 -11.161 -18.824 0.074 1.00 0.00 O ATOM 999 CB GLU A 66 -13.526 -17.898 2.366 1.00 0.00 C ATOM 1000 CG GLU A 66 -13.731 -18.023 3.866 1.00 0.00 C ATOM 1001 CD GLU A 66 -13.838 -16.677 4.555 1.00 0.00 C ATOM 1002 OE1 GLU A 66 -12.843 -15.922 4.542 1.00 0.00 O ATOM 1003 OE2 GLU A 66 -14.918 -16.378 5.107 1.00 0.00 O ATOM 0 H GLU A 66 -12.357 -15.778 2.862 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.429 -18.338 2.517 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.141 -17.080 1.991 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -13.878 -18.809 1.883 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.637 -18.598 4.058 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.901 -18.582 4.297 1.00 0.00 H new ATOM 1010 N ASP A 67 -12.565 -17.117 -0.350 1.00 0.00 N ATOM 1011 CA ASP A 67 -12.480 -17.264 -1.798 1.00 0.00 C ATOM 1012 C ASP A 67 -11.249 -16.549 -2.346 1.00 0.00 C ATOM 1013 O ASP A 67 -11.292 -15.956 -3.424 1.00 0.00 O ATOM 1014 CB ASP A 67 -13.743 -16.712 -2.462 1.00 0.00 C ATOM 1015 CG ASP A 67 -14.977 -17.524 -2.123 1.00 0.00 C ATOM 1016 OD1 ASP A 67 -15.013 -18.120 -1.025 1.00 0.00 O ATOM 1017 OD2 ASP A 67 -15.908 -17.564 -2.954 1.00 0.00 O ATOM 0 H ASP A 67 -13.175 -16.361 -0.038 1.00 0.00 H new ATOM 0 HA ASP A 67 -12.392 -18.326 -2.026 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -13.894 -15.679 -2.148 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -13.606 -16.699 -3.543 1.00 0.00 H new ATOM 1022 N ASP A 68 -10.154 -16.609 -1.596 1.00 0.00 N ATOM 1023 CA ASP A 68 -8.910 -15.968 -2.006 1.00 0.00 C ATOM 1024 C ASP A 68 -9.180 -14.586 -2.595 1.00 0.00 C ATOM 1025 O ASP A 68 -8.712 -14.263 -3.687 1.00 0.00 O ATOM 1026 CB ASP A 68 -8.176 -16.837 -3.028 1.00 0.00 C ATOM 1027 CG ASP A 68 -6.672 -16.656 -2.968 1.00 0.00 C ATOM 1028 OD1 ASP A 68 -6.051 -17.167 -2.012 1.00 0.00 O ATOM 1029 OD2 ASP A 68 -6.116 -16.003 -3.876 1.00 0.00 O ATOM 0 H ASP A 68 -10.103 -17.095 -0.701 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.282 -15.851 -1.123 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.420 -17.885 -2.852 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -8.529 -16.591 -4.030 1.00 0.00 H new ATOM 1034 N LYS A 69 -9.938 -13.775 -1.865 1.00 0.00 N ATOM 1035 CA LYS A 69 -10.270 -12.428 -2.313 1.00 0.00 C ATOM 1036 C LYS A 69 -9.315 -11.403 -1.710 1.00 0.00 C ATOM 1037 O LYS A 69 -8.635 -11.680 -0.722 1.00 0.00 O ATOM 1038 CB LYS A 69 -11.712 -12.084 -1.933 1.00 0.00 C ATOM 1039 CG LYS A 69 -12.750 -12.922 -2.659 1.00 0.00 C ATOM 1040 CD LYS A 69 -12.957 -12.440 -4.085 1.00 0.00 C ATOM 1041 CE LYS A 69 -13.365 -13.581 -5.005 1.00 0.00 C ATOM 1042 NZ LYS A 69 -12.189 -14.372 -5.462 1.00 0.00 N ATOM 0 H LYS A 69 -10.334 -14.028 -0.960 1.00 0.00 H new ATOM 0 HA LYS A 69 -10.169 -12.397 -3.398 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -11.837 -12.217 -0.858 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -11.894 -11.031 -2.147 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -12.435 -13.965 -2.669 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.696 -12.880 -2.119 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -13.724 -11.666 -4.101 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.038 -11.985 -4.454 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -14.063 -14.236 -4.484 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -13.891 -13.179 -5.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.353 -14.709 -6.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.339 -13.773 -5.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.052 -15.187 -4.831 1.00 0.00 H new ATOM 1056 N PHE A 70 -9.271 -10.218 -2.310 1.00 0.00 N ATOM 1057 CA PHE A 70 -8.400 -9.151 -1.832 1.00 0.00 C ATOM 1058 C PHE A 70 -9.218 -7.965 -1.328 1.00 0.00 C ATOM 1059 O PHE A 70 -9.898 -7.291 -2.103 1.00 0.00 O ATOM 1060 CB PHE A 70 -7.455 -8.697 -2.946 1.00 0.00 C ATOM 1061 CG PHE A 70 -6.448 -9.739 -3.339 1.00 0.00 C ATOM 1062 CD1 PHE A 70 -5.644 -10.341 -2.384 1.00 0.00 C ATOM 1063 CD2 PHE A 70 -6.304 -10.118 -4.664 1.00 0.00 C ATOM 1064 CE1 PHE A 70 -4.716 -11.300 -2.744 1.00 0.00 C ATOM 1065 CE2 PHE A 70 -5.378 -11.076 -5.030 1.00 0.00 C ATOM 1066 CZ PHE A 70 -4.583 -11.669 -4.068 1.00 0.00 C ATOM 0 H PHE A 70 -9.828 -9.973 -3.128 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.811 -9.542 -1.002 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -8.043 -8.423 -3.822 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.929 -7.799 -2.622 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.744 -10.058 -1.347 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.923 -9.659 -5.420 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.095 -11.761 -1.990 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.276 -11.361 -6.067 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.859 -12.419 -4.351 1.00 0.00 H new ATOM 1076 N THR A 71 -9.148 -7.717 -0.024 1.00 0.00 N ATOM 1077 CA THR A 71 -9.883 -6.614 0.584 1.00 0.00 C ATOM 1078 C THR A 71 -9.103 -6.008 1.745 1.00 0.00 C ATOM 1079 O THR A 71 -8.658 -6.719 2.646 1.00 0.00 O ATOM 1080 CB THR A 71 -11.263 -7.072 1.091 1.00 0.00 C ATOM 1081 OG1 THR A 71 -11.897 -6.009 1.811 1.00 0.00 O ATOM 1082 CG2 THR A 71 -11.133 -8.292 1.990 1.00 0.00 C ATOM 0 H THR A 71 -8.590 -8.265 0.631 1.00 0.00 H new ATOM 0 HA THR A 71 -10.020 -5.860 -0.191 1.00 0.00 H new ATOM 0 HB THR A 71 -11.872 -7.340 0.227 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.714 -5.738 1.342 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.121 -8.596 2.335 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.676 -9.109 1.431 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.508 -8.046 2.849 1.00 0.00 H new ATOM 1090 N VAL A 72 -8.940 -4.689 1.717 1.00 0.00 N ATOM 1091 CA VAL A 72 -8.215 -3.986 2.769 1.00 0.00 C ATOM 1092 C VAL A 72 -8.984 -4.021 4.085 1.00 0.00 C ATOM 1093 O VAL A 72 -10.084 -3.480 4.186 1.00 0.00 O ATOM 1094 CB VAL A 72 -7.947 -2.519 2.382 1.00 0.00 C ATOM 1095 CG1 VAL A 72 -7.170 -1.811 3.481 1.00 0.00 C ATOM 1096 CG2 VAL A 72 -7.203 -2.445 1.058 1.00 0.00 C ATOM 0 H VAL A 72 -9.300 -4.086 0.977 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.262 -4.501 2.895 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.904 -2.012 2.263 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -6.990 -0.776 3.190 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -7.746 -1.833 4.406 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.216 -2.316 3.635 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -7.022 -1.402 0.800 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.250 -2.967 1.146 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -7.802 -2.913 0.277 1.00 0.00 H new ATOM 1106 N GLN A 73 -8.396 -4.662 5.090 1.00 0.00 N ATOM 1107 CA GLN A 73 -9.027 -4.767 6.401 1.00 0.00 C ATOM 1108 C GLN A 73 -8.848 -3.479 7.197 1.00 0.00 C ATOM 1109 O GLN A 73 -8.181 -3.464 8.231 1.00 0.00 O ATOM 1110 CB GLN A 73 -8.441 -5.947 7.179 1.00 0.00 C ATOM 1111 CG GLN A 73 -8.710 -7.296 6.531 1.00 0.00 C ATOM 1112 CD GLN A 73 -8.765 -8.426 7.540 1.00 0.00 C ATOM 1113 OE1 GLN A 73 -9.831 -8.979 7.812 1.00 0.00 O ATOM 1114 NE2 GLN A 73 -7.613 -8.776 8.101 1.00 0.00 N ATOM 0 H GLN A 73 -7.485 -5.116 5.022 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.094 -4.933 6.250 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -7.364 -5.808 7.277 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.855 -5.948 8.187 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -9.654 -7.252 5.988 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.930 -7.505 5.799 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -6.753 -8.290 7.846 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -7.588 -9.530 8.787 1.00 0.00 H new ATOM 1123 N ALA A 74 -9.447 -2.398 6.707 1.00 0.00 N ATOM 1124 CA ALA A 74 -9.355 -1.105 7.373 1.00 0.00 C ATOM 1125 C ALA A 74 -10.583 -0.845 8.239 1.00 0.00 C ATOM 1126 O ALA A 74 -11.718 -0.973 7.778 1.00 0.00 O ATOM 1127 CB ALA A 74 -9.184 0.006 6.348 1.00 0.00 C ATOM 0 H ALA A 74 -10.001 -2.393 5.851 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.481 -1.121 8.024 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.117 0.966 6.860 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.272 -0.165 5.775 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.040 0.014 5.673 1.00 0.00 H new ATOM 1210 N ARG A 81 -16.148 -4.558 0.461 1.00 0.00 N ATOM 1211 CA ARG A 81 -16.246 -5.259 -0.814 1.00 0.00 C ATOM 1212 C ARG A 81 -15.061 -6.200 -1.009 1.00 0.00 C ATOM 1213 O ARG A 81 -14.026 -6.057 -0.357 1.00 0.00 O ATOM 1214 CB ARG A 81 -16.310 -4.256 -1.967 1.00 0.00 C ATOM 1215 CG ARG A 81 -17.711 -3.740 -2.249 1.00 0.00 C ATOM 1216 CD ARG A 81 -17.875 -3.338 -3.706 1.00 0.00 C ATOM 1217 NE ARG A 81 -18.334 -4.451 -4.532 1.00 0.00 N ATOM 1218 CZ ARG A 81 -18.136 -4.524 -5.844 1.00 0.00 C ATOM 1219 NH1 ARG A 81 -17.490 -3.553 -6.475 1.00 0.00 N ATOM 1220 NH2 ARG A 81 -18.583 -5.569 -6.527 1.00 0.00 N ATOM 0 HA ARG A 81 -17.161 -5.852 -0.806 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -15.660 -3.411 -1.739 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.917 -4.726 -2.868 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -18.441 -4.510 -1.999 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -17.920 -2.883 -1.609 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -18.587 -2.516 -3.777 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -16.924 -2.970 -4.090 1.00 0.00 H new ATOM 0 HE ARG A 81 -18.834 -5.215 -4.077 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -17.144 -2.748 -5.953 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -17.339 -3.611 -7.482 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -19.080 -6.318 -6.045 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -18.430 -5.623 -7.534 1.00 0.00 H new ATOM 1234 N PHE A 82 -15.220 -7.164 -1.910 1.00 0.00 N ATOM 1235 CA PHE A 82 -14.165 -8.131 -2.190 1.00 0.00 C ATOM 1236 C PHE A 82 -13.847 -8.172 -3.682 1.00 0.00 C ATOM 1237 O PHE A 82 -14.732 -8.386 -4.511 1.00 0.00 O ATOM 1238 CB PHE A 82 -14.577 -9.523 -1.707 1.00 0.00 C ATOM 1239 CG PHE A 82 -15.145 -9.530 -0.316 1.00 0.00 C ATOM 1240 CD1 PHE A 82 -16.491 -9.279 -0.102 1.00 0.00 C ATOM 1241 CD2 PHE A 82 -14.334 -9.788 0.777 1.00 0.00 C ATOM 1242 CE1 PHE A 82 -17.016 -9.285 1.176 1.00 0.00 C ATOM 1243 CE2 PHE A 82 -14.853 -9.796 2.058 1.00 0.00 C ATOM 1244 CZ PHE A 82 -16.197 -9.545 2.257 1.00 0.00 C ATOM 0 H PHE A 82 -16.070 -7.296 -2.459 1.00 0.00 H new ATOM 0 HA PHE A 82 -13.269 -7.819 -1.653 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -15.316 -9.934 -2.395 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -13.710 -10.182 -1.740 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -17.137 -9.076 -0.944 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -13.283 -9.985 0.626 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -18.066 -9.086 1.329 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -14.209 -9.998 2.901 1.00 0.00 H new ATOM 0 HZ PHE A 82 -16.606 -9.552 3.256 1.00 0.00 H new ATOM 1254 N PHE A 83 -12.578 -7.964 -4.016 1.00 0.00 N ATOM 1255 CA PHE A 83 -12.142 -7.976 -5.408 1.00 0.00 C ATOM 1256 C PHE A 83 -11.109 -9.073 -5.645 1.00 0.00 C ATOM 1257 O PHE A 83 -10.063 -9.109 -4.995 1.00 0.00 O ATOM 1258 CB PHE A 83 -11.556 -6.616 -5.792 1.00 0.00 C ATOM 1259 CG PHE A 83 -12.426 -5.455 -5.401 1.00 0.00 C ATOM 1260 CD1 PHE A 83 -12.374 -4.936 -4.117 1.00 0.00 C ATOM 1261 CD2 PHE A 83 -13.295 -4.885 -6.316 1.00 0.00 C ATOM 1262 CE1 PHE A 83 -13.173 -3.868 -3.754 1.00 0.00 C ATOM 1263 CE2 PHE A 83 -14.096 -3.817 -5.959 1.00 0.00 C ATOM 1264 CZ PHE A 83 -14.036 -3.309 -4.676 1.00 0.00 C ATOM 0 H PHE A 83 -11.833 -7.785 -3.342 1.00 0.00 H new ATOM 0 HA PHE A 83 -13.011 -8.179 -6.033 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -10.580 -6.504 -5.320 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -11.393 -6.591 -6.869 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -11.702 -5.371 -3.392 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -13.347 -5.280 -7.320 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -13.122 -3.471 -2.751 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -14.768 -3.380 -6.683 1.00 0.00 H new ATOM 0 HZ PHE A 83 -14.663 -2.476 -4.394 1.00 0.00 H new ATOM 1274 N THR A 84 -11.409 -9.968 -6.582 1.00 0.00 N ATOM 1275 CA THR A 84 -10.508 -11.067 -6.905 1.00 0.00 C ATOM 1276 C THR A 84 -9.173 -10.549 -7.427 1.00 0.00 C ATOM 1277 O THR A 84 -8.114 -11.070 -7.078 1.00 0.00 O ATOM 1278 CB THR A 84 -11.127 -12.010 -7.954 1.00 0.00 C ATOM 1279 OG1 THR A 84 -10.093 -12.722 -8.643 1.00 0.00 O ATOM 1280 CG2 THR A 84 -11.965 -11.229 -8.956 1.00 0.00 C ATOM 0 H THR A 84 -12.269 -9.953 -7.130 1.00 0.00 H new ATOM 0 HA THR A 84 -10.342 -11.622 -5.982 1.00 0.00 H new ATOM 0 HB THR A 84 -11.774 -12.719 -7.437 1.00 0.00 H new ATOM 0 HG1 THR A 84 -10.495 -13.320 -9.307 1.00 0.00 H new ATOM 0 HG21 THR A 84 -12.392 -11.916 -9.687 1.00 0.00 H new ATOM 0 HG22 THR A 84 -12.768 -10.711 -8.433 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.336 -10.500 -9.467 1.00 0.00 H new ATOM 1288 N LYS A 85 -9.230 -9.521 -8.266 1.00 0.00 N ATOM 1289 CA LYS A 85 -8.026 -8.930 -8.836 1.00 0.00 C ATOM 1290 C LYS A 85 -7.510 -7.792 -7.960 1.00 0.00 C ATOM 1291 O LYS A 85 -8.257 -6.877 -7.610 1.00 0.00 O ATOM 1292 CB LYS A 85 -8.306 -8.412 -10.249 1.00 0.00 C ATOM 1293 CG LYS A 85 -9.086 -9.389 -11.110 1.00 0.00 C ATOM 1294 CD LYS A 85 -8.169 -10.395 -11.785 1.00 0.00 C ATOM 1295 CE LYS A 85 -7.659 -11.434 -10.797 1.00 0.00 C ATOM 1296 NZ LYS A 85 -7.398 -12.744 -11.455 1.00 0.00 N ATOM 0 H LYS A 85 -10.099 -9.079 -8.567 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.260 -9.704 -8.884 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.862 -7.477 -10.181 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -7.359 -8.185 -10.738 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -9.815 -9.916 -10.494 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -9.646 -8.841 -11.868 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.705 -10.892 -12.594 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.324 -9.874 -12.236 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.742 -11.073 -10.331 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.391 -11.567 -10.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -7.052 -13.424 -10.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -8.278 -13.101 -11.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -6.681 -12.622 -12.199 1.00 0.00 H new ATOM 1310 N LEU A 86 -6.231 -7.855 -7.609 1.00 0.00 N ATOM 1311 CA LEU A 86 -5.615 -6.829 -6.775 1.00 0.00 C ATOM 1312 C LEU A 86 -5.840 -5.440 -7.364 1.00 0.00 C ATOM 1313 O LEU A 86 -6.168 -4.495 -6.646 1.00 0.00 O ATOM 1314 CB LEU A 86 -4.116 -7.095 -6.627 1.00 0.00 C ATOM 1315 CG LEU A 86 -3.466 -6.581 -5.342 1.00 0.00 C ATOM 1316 CD1 LEU A 86 -3.820 -5.120 -5.112 1.00 0.00 C ATOM 1317 CD2 LEU A 86 -3.893 -7.429 -4.153 1.00 0.00 C ATOM 0 H LEU A 86 -5.600 -8.606 -7.889 1.00 0.00 H new ATOM 0 HA LEU A 86 -6.083 -6.867 -5.792 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.951 -8.171 -6.689 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.602 -6.644 -7.476 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.384 -6.658 -5.448 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.349 -4.772 -4.193 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.464 -4.523 -5.951 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.902 -5.017 -5.026 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.421 -7.049 -3.247 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.977 -7.384 -4.044 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.588 -8.463 -4.315 1.00 0.00 H new ATOM 1329 N ASP A 87 -5.664 -5.324 -8.676 1.00 0.00 N ATOM 1330 CA ASP A 87 -5.852 -4.051 -9.363 1.00 0.00 C ATOM 1331 C ASP A 87 -7.298 -3.580 -9.249 1.00 0.00 C ATOM 1332 O ASP A 87 -7.560 -2.429 -8.901 1.00 0.00 O ATOM 1333 CB ASP A 87 -5.458 -4.179 -10.835 1.00 0.00 C ATOM 1334 CG ASP A 87 -5.812 -2.943 -11.639 1.00 0.00 C ATOM 1335 OD1 ASP A 87 -7.009 -2.586 -11.682 1.00 0.00 O ATOM 1336 OD2 ASP A 87 -4.893 -2.333 -12.223 1.00 0.00 O ATOM 0 H ASP A 87 -5.392 -6.096 -9.285 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.210 -3.311 -8.886 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.386 -4.361 -10.907 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.958 -5.046 -11.268 1.00 0.00 H new ATOM 1341 N GLN A 88 -8.233 -4.478 -9.546 1.00 0.00 N ATOM 1342 CA GLN A 88 -9.652 -4.153 -9.479 1.00 0.00 C ATOM 1343 C GLN A 88 -9.999 -3.501 -8.144 1.00 0.00 C ATOM 1344 O GLN A 88 -10.996 -2.787 -8.030 1.00 0.00 O ATOM 1345 CB GLN A 88 -10.496 -5.413 -9.679 1.00 0.00 C ATOM 1346 CG GLN A 88 -10.621 -5.837 -11.133 1.00 0.00 C ATOM 1347 CD GLN A 88 -11.208 -4.748 -12.010 1.00 0.00 C ATOM 1348 OE1 GLN A 88 -10.481 -4.021 -12.687 1.00 0.00 O ATOM 1349 NE2 GLN A 88 -12.530 -4.630 -12.002 1.00 0.00 N ATOM 0 H GLN A 88 -8.033 -5.435 -9.835 1.00 0.00 H new ATOM 0 HA GLN A 88 -9.874 -3.445 -10.277 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.055 -6.230 -9.108 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -11.493 -5.241 -9.272 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -9.637 -6.113 -11.513 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.248 -6.726 -11.196 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -13.094 -5.254 -11.426 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -12.982 -3.915 -12.572 1.00 0.00 H new ATOM 1358 N LEU A 89 -9.171 -3.752 -7.136 1.00 0.00 N ATOM 1359 CA LEU A 89 -9.389 -3.190 -5.808 1.00 0.00 C ATOM 1360 C LEU A 89 -8.860 -1.762 -5.727 1.00 0.00 C ATOM 1361 O LEU A 89 -9.397 -0.930 -4.995 1.00 0.00 O ATOM 1362 CB LEU A 89 -8.711 -4.058 -4.747 1.00 0.00 C ATOM 1363 CG LEU A 89 -8.631 -3.461 -3.342 1.00 0.00 C ATOM 1364 CD1 LEU A 89 -8.595 -4.564 -2.295 1.00 0.00 C ATOM 1365 CD2 LEU A 89 -7.411 -2.561 -3.214 1.00 0.00 C ATOM 0 H LEU A 89 -8.342 -4.341 -7.213 1.00 0.00 H new ATOM 0 HA LEU A 89 -10.463 -3.171 -5.621 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.245 -5.007 -4.687 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.699 -4.283 -5.083 1.00 0.00 H new ATOM 0 HG LEU A 89 -9.522 -2.857 -3.173 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.538 -4.120 -1.301 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.499 -5.168 -2.372 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -7.722 -5.195 -2.461 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.370 -2.145 -2.207 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.509 -3.142 -3.403 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.479 -1.750 -3.939 1.00 0.00 H new ATOM 1377 N ILE A 90 -7.804 -1.484 -6.485 1.00 0.00 N ATOM 1378 CA ILE A 90 -7.204 -0.155 -6.501 1.00 0.00 C ATOM 1379 C ILE A 90 -8.099 0.843 -7.228 1.00 0.00 C ATOM 1380 O ILE A 90 -8.371 1.930 -6.721 1.00 0.00 O ATOM 1381 CB ILE A 90 -5.819 -0.171 -7.174 1.00 0.00 C ATOM 1382 CG1 ILE A 90 -4.899 -1.173 -6.473 1.00 0.00 C ATOM 1383 CG2 ILE A 90 -5.206 1.221 -7.157 1.00 0.00 C ATOM 1384 CD1 ILE A 90 -4.634 -0.838 -5.023 1.00 0.00 C ATOM 0 H ILE A 90 -7.347 -2.161 -7.096 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.090 0.153 -5.462 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.939 -0.481 -8.212 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -5.344 -2.166 -6.532 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.950 -1.217 -7.007 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.227 1.193 -7.636 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.855 1.911 -7.696 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.096 1.557 -6.126 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -3.975 -1.591 -4.590 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.160 0.141 -4.957 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.576 -0.823 -4.475 1.00 0.00 H new ATOM 1396 N GLU A 91 -8.554 0.464 -8.418 1.00 0.00 N ATOM 1397 CA GLU A 91 -9.419 1.327 -9.214 1.00 0.00 C ATOM 1398 C GLU A 91 -10.643 1.760 -8.412 1.00 0.00 C ATOM 1399 O GLU A 91 -11.129 2.881 -8.557 1.00 0.00 O ATOM 1400 CB GLU A 91 -9.860 0.606 -10.490 1.00 0.00 C ATOM 1401 CG GLU A 91 -8.861 0.718 -11.629 1.00 0.00 C ATOM 1402 CD GLU A 91 -9.501 0.517 -12.989 1.00 0.00 C ATOM 1403 OE1 GLU A 91 -10.359 1.341 -13.368 1.00 0.00 O ATOM 1404 OE2 GLU A 91 -9.143 -0.464 -13.674 1.00 0.00 O ATOM 0 H GLU A 91 -8.338 -0.434 -8.852 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.851 2.217 -9.485 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.024 -0.448 -10.264 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -10.817 1.014 -10.816 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.387 1.699 -11.596 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -8.073 -0.022 -11.490 1.00 0.00 H new ATOM 1411 N PHE A 92 -11.136 0.861 -7.566 1.00 0.00 N ATOM 1412 CA PHE A 92 -12.304 1.148 -6.741 1.00 0.00 C ATOM 1413 C PHE A 92 -11.922 2.004 -5.537 1.00 0.00 C ATOM 1414 O PHE A 92 -12.782 2.601 -4.888 1.00 0.00 O ATOM 1415 CB PHE A 92 -12.955 -0.154 -6.270 1.00 0.00 C ATOM 1416 CG PHE A 92 -14.195 0.058 -5.449 1.00 0.00 C ATOM 1417 CD1 PHE A 92 -14.107 0.509 -4.142 1.00 0.00 C ATOM 1418 CD2 PHE A 92 -15.447 -0.192 -5.985 1.00 0.00 C ATOM 1419 CE1 PHE A 92 -15.246 0.704 -3.384 1.00 0.00 C ATOM 1420 CE2 PHE A 92 -16.590 0.001 -5.233 1.00 0.00 C ATOM 1421 CZ PHE A 92 -16.490 0.451 -3.931 1.00 0.00 C ATOM 0 H PHE A 92 -10.745 -0.072 -7.434 1.00 0.00 H new ATOM 0 HA PHE A 92 -13.019 1.704 -7.348 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -13.204 -0.761 -7.140 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -12.232 -0.720 -5.682 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -13.138 0.710 -3.711 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -15.531 -0.542 -7.003 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -15.164 1.054 -2.365 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -17.560 -0.200 -5.663 1.00 0.00 H new ATOM 0 HZ PHE A 92 -17.382 0.605 -3.342 1.00 0.00 H new ATOM 1431 N TYR A 93 -10.628 2.058 -5.244 1.00 0.00 N ATOM 1432 CA TYR A 93 -10.131 2.838 -4.116 1.00 0.00 C ATOM 1433 C TYR A 93 -9.588 4.185 -4.583 1.00 0.00 C ATOM 1434 O TYR A 93 -8.910 4.888 -3.833 1.00 0.00 O ATOM 1435 CB TYR A 93 -9.040 2.064 -3.375 1.00 0.00 C ATOM 1436 CG TYR A 93 -9.578 1.081 -2.360 1.00 0.00 C ATOM 1437 CD1 TYR A 93 -10.620 0.220 -2.681 1.00 0.00 C ATOM 1438 CD2 TYR A 93 -9.044 1.014 -1.079 1.00 0.00 C ATOM 1439 CE1 TYR A 93 -11.115 -0.679 -1.756 1.00 0.00 C ATOM 1440 CE2 TYR A 93 -9.532 0.117 -0.148 1.00 0.00 C ATOM 1441 CZ TYR A 93 -10.567 -0.727 -0.491 1.00 0.00 C ATOM 1442 OH TYR A 93 -11.057 -1.621 0.433 1.00 0.00 O ATOM 0 H TYR A 93 -9.904 1.571 -5.772 1.00 0.00 H new ATOM 0 HA TYR A 93 -10.964 3.018 -3.436 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.431 1.526 -4.101 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.383 2.772 -2.870 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -11.051 0.254 -3.671 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -8.234 1.674 -0.806 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -11.926 -1.340 -2.022 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -9.105 0.077 0.843 1.00 0.00 H new ATOM 0 HH TYR A 93 -11.399 -2.415 -0.029 1.00 0.00 H new ATOM 1452 N LYS A 94 -9.891 4.539 -5.827 1.00 0.00 N ATOM 1453 CA LYS A 94 -9.436 5.802 -6.396 1.00 0.00 C ATOM 1454 C LYS A 94 -10.434 6.919 -6.108 1.00 0.00 C ATOM 1455 O LYS A 94 -10.101 8.102 -6.197 1.00 0.00 O ATOM 1456 CB LYS A 94 -9.233 5.661 -7.906 1.00 0.00 C ATOM 1457 CG LYS A 94 -7.929 4.980 -8.283 1.00 0.00 C ATOM 1458 CD LYS A 94 -7.805 4.807 -9.788 1.00 0.00 C ATOM 1459 CE LYS A 94 -6.578 3.987 -10.156 1.00 0.00 C ATOM 1460 NZ LYS A 94 -6.406 3.877 -11.631 1.00 0.00 N ATOM 0 H LYS A 94 -10.450 3.968 -6.461 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.485 6.060 -5.931 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.064 5.093 -8.324 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.262 6.651 -8.362 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -7.090 5.569 -7.913 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -7.873 4.005 -7.798 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -8.700 4.318 -10.174 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.746 5.786 -10.264 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.691 4.446 -9.720 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.665 2.990 -9.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -5.621 3.229 -11.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.281 3.510 -12.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.196 4.815 -12.027 1.00 0.00 H new ATOM 1474 N LYS A 95 -11.659 6.538 -5.762 1.00 0.00 N ATOM 1475 CA LYS A 95 -12.705 7.506 -5.459 1.00 0.00 C ATOM 1476 C LYS A 95 -12.323 8.362 -4.255 1.00 0.00 C ATOM 1477 O LYS A 95 -11.640 7.895 -3.343 1.00 0.00 O ATOM 1478 CB LYS A 95 -14.030 6.789 -5.187 1.00 0.00 C ATOM 1479 CG LYS A 95 -14.860 6.552 -6.437 1.00 0.00 C ATOM 1480 CD LYS A 95 -16.110 5.745 -6.131 1.00 0.00 C ATOM 1481 CE LYS A 95 -15.818 4.252 -6.105 1.00 0.00 C ATOM 1482 NZ LYS A 95 -15.416 3.790 -4.748 1.00 0.00 N ATOM 0 H LYS A 95 -11.951 5.564 -5.685 1.00 0.00 H new ATOM 0 HA LYS A 95 -12.822 8.158 -6.324 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -13.824 5.831 -4.711 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -14.614 7.378 -4.479 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -15.142 7.510 -6.875 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -14.259 6.027 -7.180 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -16.517 6.054 -5.168 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -16.872 5.955 -6.881 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -16.702 3.703 -6.428 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -15.024 4.025 -6.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -14.415 3.507 -4.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -15.549 4.563 -4.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -16.003 2.977 -4.470 1.00 0.00 H new ATOM 1549 N LEU A 100 -9.569 5.814 1.236 1.00 0.00 N ATOM 1550 CA LEU A 100 -8.473 5.840 2.199 1.00 0.00 C ATOM 1551 C LEU A 100 -8.163 7.269 2.633 1.00 0.00 C ATOM 1552 O LEU A 100 -8.827 8.215 2.210 1.00 0.00 O ATOM 1553 CB LEU A 100 -7.223 5.195 1.597 1.00 0.00 C ATOM 1554 CG LEU A 100 -7.446 3.898 0.819 1.00 0.00 C ATOM 1555 CD1 LEU A 100 -6.365 3.716 -0.235 1.00 0.00 C ATOM 1556 CD2 LEU A 100 -7.475 2.707 1.766 1.00 0.00 C ATOM 0 HA LEU A 100 -8.780 5.272 3.077 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.750 5.918 0.932 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.518 4.995 2.403 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.410 3.960 0.315 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -6.540 2.788 -0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.390 4.555 -0.931 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.389 3.675 0.248 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.635 1.792 1.195 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.526 2.642 2.298 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -8.285 2.833 2.484 1.00 0.00 H new ATOM 1568 N VAL A 101 -7.149 7.418 3.480 1.00 0.00 N ATOM 1569 CA VAL A 101 -6.749 8.732 3.969 1.00 0.00 C ATOM 1570 C VAL A 101 -6.886 9.790 2.879 1.00 0.00 C ATOM 1571 O VAL A 101 -7.441 10.865 3.108 1.00 0.00 O ATOM 1572 CB VAL A 101 -5.295 8.722 4.479 1.00 0.00 C ATOM 1573 CG1 VAL A 101 -4.385 8.022 3.482 1.00 0.00 C ATOM 1574 CG2 VAL A 101 -4.815 10.141 4.747 1.00 0.00 C ATOM 0 H VAL A 101 -6.590 6.645 3.841 1.00 0.00 H new ATOM 0 HA VAL A 101 -7.415 8.978 4.796 1.00 0.00 H new ATOM 0 HB VAL A 101 -5.261 8.168 5.417 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -3.362 8.025 3.859 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.719 6.993 3.345 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -4.421 8.546 2.527 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -3.786 10.115 5.107 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -4.863 10.721 3.826 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -5.451 10.604 5.501 1.00 0.00 H new ATOM 1584 N THR A 102 -6.377 9.477 1.691 1.00 0.00 N ATOM 1585 CA THR A 102 -6.443 10.400 0.566 1.00 0.00 C ATOM 1586 C THR A 102 -6.765 9.665 -0.730 1.00 0.00 C ATOM 1587 O THR A 102 -6.363 8.517 -0.921 1.00 0.00 O ATOM 1588 CB THR A 102 -5.119 11.168 0.391 1.00 0.00 C ATOM 1589 OG1 THR A 102 -5.354 12.400 -0.301 1.00 0.00 O ATOM 1590 CG2 THR A 102 -4.107 10.333 -0.379 1.00 0.00 C ATOM 0 H THR A 102 -5.915 8.592 1.484 1.00 0.00 H new ATOM 0 HA THR A 102 -7.240 11.110 0.786 1.00 0.00 H new ATOM 0 HB THR A 102 -4.714 11.380 1.381 1.00 0.00 H new ATOM 0 HG1 THR A 102 -4.538 12.672 -0.771 1.00 0.00 H new ATOM 0 HG21 THR A 102 -3.180 10.896 -0.490 1.00 0.00 H new ATOM 0 HG22 THR A 102 -3.908 9.410 0.165 1.00 0.00 H new ATOM 0 HG23 THR A 102 -4.507 10.094 -1.364 1.00 0.00 H new ATOM 1598 N HIS A 103 -7.493 10.334 -1.619 1.00 0.00 N ATOM 1599 CA HIS A 103 -7.869 9.743 -2.899 1.00 0.00 C ATOM 1600 C HIS A 103 -6.645 9.556 -3.790 1.00 0.00 C ATOM 1601 O HIS A 103 -5.908 10.505 -4.059 1.00 0.00 O ATOM 1602 CB HIS A 103 -8.900 10.622 -3.607 1.00 0.00 C ATOM 1603 CG HIS A 103 -8.357 11.947 -4.048 1.00 0.00 C ATOM 1604 ND1 HIS A 103 -7.905 12.186 -5.328 1.00 0.00 N ATOM 1605 CD2 HIS A 103 -8.197 13.107 -3.370 1.00 0.00 C ATOM 1606 CE1 HIS A 103 -7.488 13.436 -5.419 1.00 0.00 C ATOM 1607 NE2 HIS A 103 -7.655 14.017 -4.244 1.00 0.00 N ATOM 0 H HIS A 103 -7.834 11.285 -1.477 1.00 0.00 H new ATOM 0 HA HIS A 103 -8.309 8.765 -2.705 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -9.284 10.089 -4.477 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -9.744 10.789 -2.937 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -8.449 13.284 -2.335 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -7.080 13.903 -6.303 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -7.420 14.984 -4.022 1.00 0.00 H new ATOM 1616 N LEU A 104 -6.434 8.325 -4.246 1.00 0.00 N ATOM 1617 CA LEU A 104 -5.299 8.013 -5.107 1.00 0.00 C ATOM 1618 C LEU A 104 -5.192 9.014 -6.252 1.00 0.00 C ATOM 1619 O LEU A 104 -6.171 9.280 -6.950 1.00 0.00 O ATOM 1620 CB LEU A 104 -5.432 6.595 -5.665 1.00 0.00 C ATOM 1621 CG LEU A 104 -5.683 5.490 -4.638 1.00 0.00 C ATOM 1622 CD1 LEU A 104 -5.973 4.169 -5.334 1.00 0.00 C ATOM 1623 CD2 LEU A 104 -4.492 5.352 -3.702 1.00 0.00 C ATOM 0 H LEU A 104 -7.034 7.528 -4.034 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.391 8.078 -4.507 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -6.249 6.585 -6.386 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.521 6.354 -6.212 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.556 5.763 -4.045 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -6.149 3.395 -4.587 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.858 4.275 -5.962 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -5.120 3.889 -5.953 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.688 4.561 -2.978 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.602 5.102 -4.280 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.331 6.293 -3.177 1.00 0.00 H new ATOM 1635 N GLN A 105 -3.997 9.565 -6.441 1.00 0.00 N ATOM 1636 CA GLN A 105 -3.763 10.536 -7.503 1.00 0.00 C ATOM 1637 C GLN A 105 -2.915 9.931 -8.617 1.00 0.00 C ATOM 1638 O GLN A 105 -3.375 9.779 -9.748 1.00 0.00 O ATOM 1639 CB GLN A 105 -3.075 11.782 -6.942 1.00 0.00 C ATOM 1640 CG GLN A 105 -3.913 12.528 -5.916 1.00 0.00 C ATOM 1641 CD GLN A 105 -3.258 13.815 -5.453 1.00 0.00 C ATOM 1642 OE1 GLN A 105 -2.261 14.258 -6.024 1.00 0.00 O ATOM 1643 NE2 GLN A 105 -3.816 14.423 -4.413 1.00 0.00 N ATOM 0 H GLN A 105 -3.176 9.355 -5.873 1.00 0.00 H new ATOM 0 HA GLN A 105 -4.729 10.820 -7.920 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -2.130 11.490 -6.484 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -2.836 12.457 -7.764 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -4.889 12.755 -6.345 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -4.086 11.882 -5.055 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -4.642 14.021 -3.970 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -3.419 15.293 -4.057 1.00 0.00 H new ATOM 1652 N TYR A 106 -1.674 9.587 -8.288 1.00 0.00 N ATOM 1653 CA TYR A 106 -0.760 9.001 -9.261 1.00 0.00 C ATOM 1654 C TYR A 106 -0.156 7.705 -8.729 1.00 0.00 C ATOM 1655 O TYR A 106 0.430 7.662 -7.647 1.00 0.00 O ATOM 1656 CB TYR A 106 0.352 9.991 -9.608 1.00 0.00 C ATOM 1657 CG TYR A 106 -0.072 11.439 -9.508 1.00 0.00 C ATOM 1658 CD1 TYR A 106 0.058 12.140 -8.315 1.00 0.00 C ATOM 1659 CD2 TYR A 106 -0.605 12.105 -10.604 1.00 0.00 C ATOM 1660 CE1 TYR A 106 -0.329 13.462 -8.218 1.00 0.00 C ATOM 1661 CE2 TYR A 106 -0.993 13.428 -10.517 1.00 0.00 C ATOM 1662 CZ TYR A 106 -0.854 14.102 -9.321 1.00 0.00 C ATOM 1663 OH TYR A 106 -1.241 15.420 -9.230 1.00 0.00 O ATOM 0 H TYR A 106 -1.279 9.704 -7.355 1.00 0.00 H new ATOM 0 HA TYR A 106 -1.327 8.772 -10.163 1.00 0.00 H new ATOM 0 HB2 TYR A 106 1.198 9.822 -8.942 1.00 0.00 H new ATOM 0 HB3 TYR A 106 0.700 9.792 -10.622 1.00 0.00 H new ATOM 0 HD1 TYR A 106 0.469 11.642 -7.449 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -0.718 11.579 -11.541 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -0.221 13.992 -7.283 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -1.403 13.932 -11.380 1.00 0.00 H new ATOM 0 HH TYR A 106 -1.588 15.720 -10.096 1.00 0.00 H new ATOM 1673 N PRO A 107 -0.300 6.623 -9.508 1.00 0.00 N ATOM 1674 CA PRO A 107 0.226 5.305 -9.138 1.00 0.00 C ATOM 1675 C PRO A 107 1.749 5.256 -9.182 1.00 0.00 C ATOM 1676 O PRO A 107 2.342 4.991 -10.229 1.00 0.00 O ATOM 1677 CB PRO A 107 -0.371 4.375 -10.197 1.00 0.00 C ATOM 1678 CG PRO A 107 -0.627 5.254 -11.372 1.00 0.00 C ATOM 1679 CD PRO A 107 -0.987 6.602 -10.810 1.00 0.00 C ATOM 0 HA PRO A 107 -0.037 5.033 -8.116 1.00 0.00 H new ATOM 0 HB2 PRO A 107 0.317 3.568 -10.449 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -1.291 3.910 -9.842 1.00 0.00 H new ATOM 0 HG2 PRO A 107 0.255 5.320 -12.010 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -1.436 4.859 -11.986 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -0.647 7.411 -11.457 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -2.065 6.716 -10.697 1.00 0.00 H new ATOM 1687 N VAL A 108 2.379 5.511 -8.040 1.00 0.00 N ATOM 1688 CA VAL A 108 3.834 5.494 -7.948 1.00 0.00 C ATOM 1689 C VAL A 108 4.416 4.284 -8.671 1.00 0.00 C ATOM 1690 O VAL A 108 4.144 3.134 -8.327 1.00 0.00 O ATOM 1691 CB VAL A 108 4.304 5.477 -6.482 1.00 0.00 C ATOM 1692 CG1 VAL A 108 5.757 5.035 -6.392 1.00 0.00 C ATOM 1693 CG2 VAL A 108 4.113 6.845 -5.845 1.00 0.00 C ATOM 0 H VAL A 108 1.904 5.732 -7.165 1.00 0.00 H new ATOM 0 HA VAL A 108 4.192 6.406 -8.425 1.00 0.00 H new ATOM 0 HB VAL A 108 3.696 4.758 -5.932 1.00 0.00 H new ATOM 0 HG11 VAL A 108 6.072 5.029 -5.348 1.00 0.00 H new ATOM 0 HG12 VAL A 108 5.859 4.032 -6.807 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.383 5.726 -6.956 1.00 0.00 H new ATOM 0 HG21 VAL A 108 4.450 6.814 -4.809 1.00 0.00 H new ATOM 0 HG22 VAL A 108 4.694 7.586 -6.394 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.058 7.116 -5.875 1.00 0.00 H new ATOM 1703 N PRO A 109 5.237 4.547 -9.699 1.00 0.00 N ATOM 1704 CA PRO A 109 5.875 3.493 -10.492 1.00 0.00 C ATOM 1705 C PRO A 109 6.943 2.741 -9.704 1.00 0.00 C ATOM 1706 O PRO A 109 7.336 3.161 -8.615 1.00 0.00 O ATOM 1707 CB PRO A 109 6.510 4.259 -11.655 1.00 0.00 C ATOM 1708 CG PRO A 109 6.731 5.635 -11.128 1.00 0.00 C ATOM 1709 CD PRO A 109 5.605 5.895 -10.165 1.00 0.00 C ATOM 0 HA PRO A 109 5.162 2.730 -10.805 1.00 0.00 H new ATOM 0 HB2 PRO A 109 7.448 3.799 -11.966 1.00 0.00 H new ATOM 0 HB3 PRO A 109 5.855 4.269 -12.526 1.00 0.00 H new ATOM 0 HG2 PRO A 109 7.697 5.711 -10.629 1.00 0.00 H new ATOM 0 HG3 PRO A 109 6.731 6.367 -11.936 1.00 0.00 H new ATOM 0 HD2 PRO A 109 5.921 6.533 -9.340 1.00 0.00 H new ATOM 0 HD3 PRO A 109 4.767 6.395 -10.652 1.00 0.00 H new ATOM 1717 N LEU A 110 7.409 1.629 -10.261 1.00 0.00 N ATOM 1718 CA LEU A 110 8.433 0.818 -9.610 1.00 0.00 C ATOM 1719 C LEU A 110 9.788 1.517 -9.652 1.00 0.00 C ATOM 1720 O LEU A 110 9.996 2.442 -10.436 1.00 0.00 O ATOM 1721 CB LEU A 110 8.531 -0.551 -10.284 1.00 0.00 C ATOM 1722 CG LEU A 110 7.239 -1.368 -10.337 1.00 0.00 C ATOM 1723 CD1 LEU A 110 7.497 -2.736 -10.949 1.00 0.00 C ATOM 1724 CD2 LEU A 110 6.639 -1.508 -8.946 1.00 0.00 C ATOM 0 H LEU A 110 7.095 1.268 -11.162 1.00 0.00 H new ATOM 0 HA LEU A 110 8.147 0.683 -8.567 1.00 0.00 H new ATOM 0 HB2 LEU A 110 8.888 -0.407 -11.304 1.00 0.00 H new ATOM 0 HB3 LEU A 110 9.287 -1.137 -9.762 1.00 0.00 H new ATOM 0 HG LEU A 110 6.524 -0.840 -10.968 1.00 0.00 H new ATOM 0 HD11 LEU A 110 6.566 -3.303 -10.978 1.00 0.00 H new ATOM 0 HD12 LEU A 110 7.880 -2.615 -11.962 1.00 0.00 H new ATOM 0 HD13 LEU A 110 8.230 -3.272 -10.346 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.720 -2.092 -9.003 1.00 0.00 H new ATOM 0 HD22 LEU A 110 7.350 -2.013 -8.292 1.00 0.00 H new ATOM 0 HD23 LEU A 110 6.416 -0.519 -8.545 1.00 0.00 H new