USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=23 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= -1.1 K(o=-6.2,f=-6.7!) USER MOD Set 1.2: A 105 GLN : amide:sc= -5.07! C(o=-6.2!,f=-6!) USER MOD Set 2.1: A 69 LYS NZ :NH3+ -149:sc= -0.365 (180deg=-1.31!) USER MOD Set 2.2: A 84 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 K(o=0,f=-1.9) USER MOD Single : A 14 HIS :FLIP no HD1:sc= -7.91! C(o=-9!,f=-7.9!) USER MOD Single : A 16 ASN : amide:sc= -2.98! C(o=-3!,f=-7.8!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0028 USER MOD Single : A 21 LYS NZ :NH3+ -136:sc= -0.355 (180deg=-1.18!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -130:sc= 0.00142 USER MOD Single : A 31 LYS NZ :NH3+ 170:sc= 1.38 (180deg=1.3) USER MOD Single : A 34 SER OG : rot 150:sc= -0.0986 USER MOD Single : A 40 SER OG : rot 130:sc= -0.0372 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot -130:sc= -3.54! USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.421 K(o=-0.42,f=-0.94) USER MOD Single : A 56 CYS SG : rot 18:sc= 0.00537 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0718 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -2.69! C(o=-2.7!,f=-14!) USER MOD Single : A 71 THR OG1 : rot 113:sc= 1.19 USER MOD Single : A 73 GLN : amide:sc= -2.27! C(o=-2.3!,f=-5!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc=-0.00735 X(o=-0.0073,f=-0.4) USER MOD Single : A 93 TYR OH : rot 30:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 2.238 -0.793 -12.169 1.00 0.00 N ATOM 114 CA CYS A 11 3.420 0.036 -11.958 1.00 0.00 C ATOM 115 C CYS A 11 3.459 0.575 -10.532 1.00 0.00 C ATOM 116 O CYS A 11 4.436 1.199 -10.120 1.00 0.00 O ATOM 117 CB CYS A 11 3.438 1.196 -12.955 1.00 0.00 C ATOM 118 SG CYS A 11 1.898 2.141 -13.017 1.00 0.00 S ATOM 0 HA CYS A 11 4.302 -0.584 -12.116 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.255 1.870 -12.697 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.651 0.803 -13.949 1.00 0.00 H new ATOM 0 HG CYS A 11 2.012 3.100 -13.887 1.00 0.00 H new ATOM 124 N TRP A 12 2.389 0.330 -9.784 1.00 0.00 N ATOM 125 CA TRP A 12 2.301 0.792 -8.403 1.00 0.00 C ATOM 126 C TRP A 12 2.732 -0.304 -7.434 1.00 0.00 C ATOM 127 O TRP A 12 2.937 -0.050 -6.248 1.00 0.00 O ATOM 128 CB TRP A 12 0.873 1.239 -8.084 1.00 0.00 C ATOM 129 CG TRP A 12 -0.173 0.457 -8.819 1.00 0.00 C ATOM 130 CD1 TRP A 12 -0.891 0.868 -9.905 1.00 0.00 C ATOM 131 CD2 TRP A 12 -0.619 -0.870 -8.520 1.00 0.00 C ATOM 132 NE1 TRP A 12 -1.757 -0.123 -10.299 1.00 0.00 N ATOM 133 CE2 TRP A 12 -1.608 -1.200 -9.466 1.00 0.00 C ATOM 134 CE3 TRP A 12 -0.277 -1.812 -7.546 1.00 0.00 C ATOM 135 CZ2 TRP A 12 -2.258 -2.432 -9.464 1.00 0.00 C ATOM 136 CZ3 TRP A 12 -0.923 -3.034 -7.545 1.00 0.00 C ATOM 137 CH2 TRP A 12 -1.904 -3.335 -8.499 1.00 0.00 C ATOM 0 H TRP A 12 1.571 -0.185 -10.110 1.00 0.00 H new ATOM 0 HA TRP A 12 2.975 1.640 -8.286 1.00 0.00 H new ATOM 0 HB2 TRP A 12 0.701 1.144 -7.012 1.00 0.00 H new ATOM 0 HB3 TRP A 12 0.767 2.295 -8.331 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -0.793 1.831 -10.384 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.406 -0.066 -11.084 1.00 0.00 H new ATOM 0 HE3 TRP A 12 0.479 -1.589 -6.807 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -3.015 -2.666 -10.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -0.667 -3.769 -6.796 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -2.390 -4.299 -8.472 1.00 0.00 H new ATOM 148 N ASN A 13 2.867 -1.522 -7.947 1.00 0.00 N ATOM 149 CA ASN A 13 3.274 -2.656 -7.126 1.00 0.00 C ATOM 150 C ASN A 13 4.783 -2.868 -7.199 1.00 0.00 C ATOM 151 O ASN A 13 5.344 -3.044 -8.281 1.00 0.00 O ATOM 152 CB ASN A 13 2.547 -3.925 -7.576 1.00 0.00 C ATOM 153 CG ASN A 13 2.374 -4.923 -6.447 1.00 0.00 C ATOM 154 OD1 ASN A 13 3.258 -5.087 -5.606 1.00 0.00 O ATOM 155 ND2 ASN A 13 1.230 -5.597 -6.424 1.00 0.00 N ATOM 0 H ASN A 13 2.701 -1.749 -8.927 1.00 0.00 H new ATOM 0 HA ASN A 13 3.006 -2.438 -6.092 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.568 -3.658 -7.974 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.105 -4.392 -8.388 1.00 0.00 H new ATOM 0 HD21 ASN A 13 1.057 -6.283 -5.689 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.525 -5.429 -7.141 1.00 0.00 H new ATOM 162 N HIS A 14 5.435 -2.850 -6.041 1.00 0.00 N ATOM 163 CA HIS A 14 6.880 -3.041 -5.973 1.00 0.00 C ATOM 164 C HIS A 14 7.220 -4.476 -5.580 1.00 0.00 C ATOM 165 O HIS A 14 8.161 -4.716 -4.825 1.00 0.00 O ATOM 166 CB HIS A 14 7.498 -2.065 -4.972 1.00 0.00 C ATOM 167 CG HIS A 14 7.451 -0.637 -5.421 1.00 0.00 C ATOM 168 ND1 HIS A 14 6.410 0.220 -5.537 1.00 0.00 N flip ATOM 169 CD2 HIS A 14 8.569 0.065 -5.816 1.00 0.00 C flip ATOM 170 CE1 HIS A 14 6.913 1.413 -5.994 1.00 0.00 C flip ATOM 171 NE2 HIS A 14 8.219 1.293 -6.154 1.00 0.00 N flip ATOM 0 H HIS A 14 4.986 -2.705 -5.137 1.00 0.00 H new ATOM 0 HA HIS A 14 7.295 -2.846 -6.962 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.976 -2.155 -4.019 1.00 0.00 H new ATOM 0 HB3 HIS A 14 8.536 -2.348 -4.795 1.00 0.00 H new ATOM 0 HD2 HIS A 14 9.575 -0.328 -5.845 1.00 0.00 H new ATOM 0 HE1 HIS A 14 6.335 2.304 -6.191 1.00 0.00 H new ATOM 0 HE2 HIS A 14 8.850 2.024 -6.483 1.00 0.00 H new ATOM 180 N GLY A 15 6.447 -5.426 -6.098 1.00 0.00 N ATOM 181 CA GLY A 15 6.682 -6.824 -5.788 1.00 0.00 C ATOM 182 C GLY A 15 7.042 -7.043 -4.332 1.00 0.00 C ATOM 183 O GLY A 15 6.169 -7.052 -3.465 1.00 0.00 O ATOM 0 H GLY A 15 5.663 -5.252 -6.726 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.789 -7.401 -6.029 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.486 -7.202 -6.419 1.00 0.00 H new ATOM 187 N ASN A 16 8.331 -7.222 -4.063 1.00 0.00 N ATOM 188 CA ASN A 16 8.803 -7.445 -2.701 1.00 0.00 C ATOM 189 C ASN A 16 9.963 -6.511 -2.369 1.00 0.00 C ATOM 190 O ASN A 16 11.042 -6.612 -2.953 1.00 0.00 O ATOM 191 CB ASN A 16 9.239 -8.901 -2.522 1.00 0.00 C ATOM 192 CG ASN A 16 8.300 -9.874 -3.209 1.00 0.00 C ATOM 193 OD1 ASN A 16 7.190 -9.512 -3.600 1.00 0.00 O ATOM 194 ND2 ASN A 16 8.743 -11.116 -3.360 1.00 0.00 N ATOM 0 H ASN A 16 9.067 -7.217 -4.769 1.00 0.00 H new ATOM 0 HA ASN A 16 7.981 -7.233 -2.018 1.00 0.00 H new ATOM 0 HB2 ASN A 16 10.245 -9.028 -2.921 1.00 0.00 H new ATOM 0 HB3 ASN A 16 9.286 -9.135 -1.459 1.00 0.00 H new ATOM 0 HD21 ASN A 16 8.156 -11.815 -3.816 1.00 0.00 H new ATOM 0 HD22 ASN A 16 9.670 -11.372 -3.020 1.00 0.00 H new ATOM 201 N ILE A 17 9.733 -5.604 -1.426 1.00 0.00 N ATOM 202 CA ILE A 17 10.758 -4.653 -1.014 1.00 0.00 C ATOM 203 C ILE A 17 10.731 -4.434 0.495 1.00 0.00 C ATOM 204 O ILE A 17 9.738 -4.732 1.159 1.00 0.00 O ATOM 205 CB ILE A 17 10.585 -3.296 -1.722 1.00 0.00 C ATOM 206 CG1 ILE A 17 9.239 -2.671 -1.350 1.00 0.00 C ATOM 207 CG2 ILE A 17 10.698 -3.467 -3.229 1.00 0.00 C ATOM 208 CD1 ILE A 17 9.117 -1.217 -1.751 1.00 0.00 C ATOM 0 H ILE A 17 8.846 -5.508 -0.933 1.00 0.00 H new ATOM 0 HA ILE A 17 11.719 -5.082 -1.299 1.00 0.00 H new ATOM 0 HB ILE A 17 11.379 -2.626 -1.392 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.440 -3.239 -1.826 1.00 0.00 H new ATOM 0 HG13 ILE A 17 9.093 -2.756 -0.273 1.00 0.00 H new ATOM 0 HG21 ILE A 17 10.574 -2.499 -3.715 1.00 0.00 H new ATOM 0 HG22 ILE A 17 11.678 -3.874 -3.476 1.00 0.00 H new ATOM 0 HG23 ILE A 17 9.923 -4.150 -3.577 1.00 0.00 H new ATOM 0 HD11 ILE A 17 8.138 -0.839 -1.456 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.894 -0.636 -1.255 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.231 -1.127 -2.831 1.00 0.00 H new ATOM 220 N THR A 18 11.828 -3.909 1.031 1.00 0.00 N ATOM 221 CA THR A 18 11.931 -3.649 2.462 1.00 0.00 C ATOM 222 C THR A 18 11.037 -2.485 2.874 1.00 0.00 C ATOM 223 O THR A 18 10.840 -1.540 2.109 1.00 0.00 O ATOM 224 CB THR A 18 13.382 -3.338 2.874 1.00 0.00 C ATOM 225 OG1 THR A 18 13.462 -3.164 4.293 1.00 0.00 O ATOM 226 CG2 THR A 18 13.887 -2.085 2.175 1.00 0.00 C ATOM 0 H THR A 18 12.658 -3.655 0.496 1.00 0.00 H new ATOM 0 HA THR A 18 11.603 -4.555 2.972 1.00 0.00 H new ATOM 0 HB THR A 18 14.009 -4.178 2.576 1.00 0.00 H new ATOM 0 HG1 THR A 18 14.388 -2.968 4.547 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.914 -1.886 2.482 1.00 0.00 H new ATOM 0 HG22 THR A 18 13.853 -2.232 1.095 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.257 -1.238 2.446 1.00 0.00 H new ATOM 234 N ARG A 19 10.499 -2.558 4.087 1.00 0.00 N ATOM 235 CA ARG A 19 9.626 -1.510 4.601 1.00 0.00 C ATOM 236 C ARG A 19 10.134 -0.130 4.191 1.00 0.00 C ATOM 237 O ARG A 19 9.465 0.595 3.455 1.00 0.00 O ATOM 238 CB ARG A 19 9.530 -1.598 6.125 1.00 0.00 C ATOM 239 CG ARG A 19 8.318 -0.884 6.701 1.00 0.00 C ATOM 240 CD ARG A 19 8.096 -1.251 8.160 1.00 0.00 C ATOM 241 NE ARG A 19 7.313 -0.240 8.865 1.00 0.00 N ATOM 242 CZ ARG A 19 7.826 0.891 9.336 1.00 0.00 C ATOM 243 NH1 ARG A 19 9.115 1.155 9.176 1.00 0.00 N ATOM 244 NH2 ARG A 19 7.048 1.762 9.967 1.00 0.00 N ATOM 0 H ARG A 19 10.653 -3.333 4.732 1.00 0.00 H new ATOM 0 HA ARG A 19 8.634 -1.655 4.173 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.497 -2.647 6.419 1.00 0.00 H new ATOM 0 HB3 ARG A 19 10.433 -1.173 6.563 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.453 0.194 6.612 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.432 -1.143 6.121 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.584 -2.212 8.218 1.00 0.00 H new ATOM 0 HD3 ARG A 19 9.060 -1.373 8.654 1.00 0.00 H new ATOM 0 HE ARG A 19 6.317 -0.412 9.003 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.716 0.489 8.690 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.506 2.024 9.539 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.055 1.563 10.091 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.443 2.630 10.328 1.00 0.00 H new ATOM 258 N SER A 20 11.320 0.225 4.674 1.00 0.00 N ATOM 259 CA SER A 20 11.916 1.519 4.362 1.00 0.00 C ATOM 260 C SER A 20 11.624 1.918 2.919 1.00 0.00 C ATOM 261 O SER A 20 11.006 2.951 2.660 1.00 0.00 O ATOM 262 CB SER A 20 13.427 1.478 4.596 1.00 0.00 C ATOM 263 OG SER A 20 13.729 1.001 5.896 1.00 0.00 O ATOM 0 H SER A 20 11.887 -0.365 5.283 1.00 0.00 H new ATOM 0 HA SER A 20 11.473 2.264 5.023 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.896 0.835 3.851 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.846 2.476 4.465 1.00 0.00 H new ATOM 0 HG SER A 20 14.701 0.983 6.020 1.00 0.00 H new ATOM 269 N LYS A 21 12.074 1.091 1.981 1.00 0.00 N ATOM 270 CA LYS A 21 11.861 1.354 0.562 1.00 0.00 C ATOM 271 C LYS A 21 10.485 1.968 0.323 1.00 0.00 C ATOM 272 O LYS A 21 10.366 3.022 -0.300 1.00 0.00 O ATOM 273 CB LYS A 21 12.002 0.061 -0.244 1.00 0.00 C ATOM 274 CG LYS A 21 11.911 0.267 -1.746 1.00 0.00 C ATOM 275 CD LYS A 21 13.130 0.999 -2.283 1.00 0.00 C ATOM 276 CE LYS A 21 13.354 0.702 -3.757 1.00 0.00 C ATOM 277 NZ LYS A 21 13.445 -0.761 -4.020 1.00 0.00 N ATOM 0 H LYS A 21 12.589 0.233 2.178 1.00 0.00 H new ATOM 0 HA LYS A 21 12.619 2.065 0.232 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.960 -0.402 -0.007 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.225 -0.637 0.066 1.00 0.00 H new ATOM 0 HG2 LYS A 21 11.818 -0.699 -2.242 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.011 0.835 -1.983 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.002 2.072 -2.142 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.012 0.706 -1.714 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.537 1.126 -4.341 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.271 1.189 -4.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.235 -0.948 -4.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 13.607 -1.265 -3.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.557 -1.093 -4.448 1.00 0.00 H new ATOM 291 N ALA A 22 9.450 1.301 0.823 1.00 0.00 N ATOM 292 CA ALA A 22 8.083 1.783 0.666 1.00 0.00 C ATOM 293 C ALA A 22 7.977 3.261 1.028 1.00 0.00 C ATOM 294 O ALA A 22 7.521 4.074 0.225 1.00 0.00 O ATOM 295 CB ALA A 22 7.132 0.959 1.521 1.00 0.00 C ATOM 0 H ALA A 22 9.532 0.426 1.340 1.00 0.00 H new ATOM 0 HA ALA A 22 7.802 1.671 -0.381 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.115 1.330 1.394 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.179 -0.086 1.213 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.420 1.042 2.569 1.00 0.00 H new ATOM 301 N GLU A 23 8.401 3.600 2.242 1.00 0.00 N ATOM 302 CA GLU A 23 8.352 4.980 2.709 1.00 0.00 C ATOM 303 C GLU A 23 9.320 5.857 1.921 1.00 0.00 C ATOM 304 O GLU A 23 8.910 6.798 1.243 1.00 0.00 O ATOM 305 CB GLU A 23 8.683 5.049 4.202 1.00 0.00 C ATOM 306 CG GLU A 23 7.845 4.112 5.055 1.00 0.00 C ATOM 307 CD GLU A 23 7.973 4.403 6.538 1.00 0.00 C ATOM 308 OE1 GLU A 23 8.989 3.990 7.137 1.00 0.00 O ATOM 309 OE2 GLU A 23 7.059 5.041 7.100 1.00 0.00 O ATOM 0 H GLU A 23 8.782 2.938 2.919 1.00 0.00 H new ATOM 0 HA GLU A 23 7.340 5.354 2.551 1.00 0.00 H new ATOM 0 HB2 GLU A 23 9.737 4.810 4.343 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.538 6.071 4.551 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.799 4.196 4.761 1.00 0.00 H new ATOM 0 HG3 GLU A 23 8.148 3.083 4.863 1.00 0.00 H new ATOM 316 N GLU A 24 10.608 5.539 2.016 1.00 0.00 N ATOM 317 CA GLU A 24 11.635 6.299 1.313 1.00 0.00 C ATOM 318 C GLU A 24 11.161 6.693 -0.083 1.00 0.00 C ATOM 319 O GLU A 24 11.321 7.839 -0.505 1.00 0.00 O ATOM 320 CB GLU A 24 12.926 5.483 1.214 1.00 0.00 C ATOM 321 CG GLU A 24 13.994 6.136 0.353 1.00 0.00 C ATOM 322 CD GLU A 24 14.432 7.485 0.889 1.00 0.00 C ATOM 323 OE1 GLU A 24 15.279 7.511 1.806 1.00 0.00 O ATOM 324 OE2 GLU A 24 13.927 8.514 0.394 1.00 0.00 O ATOM 0 H GLU A 24 10.964 4.762 2.572 1.00 0.00 H new ATOM 0 HA GLU A 24 11.831 7.208 1.881 1.00 0.00 H new ATOM 0 HB2 GLU A 24 13.325 5.327 2.216 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.694 4.499 0.806 1.00 0.00 H new ATOM 0 HG2 GLU A 24 14.859 5.476 0.291 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.613 6.258 -0.661 1.00 0.00 H new ATOM 331 N LEU A 25 10.577 5.736 -0.794 1.00 0.00 N ATOM 332 CA LEU A 25 10.079 5.981 -2.144 1.00 0.00 C ATOM 333 C LEU A 25 9.056 7.112 -2.149 1.00 0.00 C ATOM 334 O LEU A 25 9.296 8.178 -2.717 1.00 0.00 O ATOM 335 CB LEU A 25 9.453 4.708 -2.717 1.00 0.00 C ATOM 336 CG LEU A 25 10.431 3.655 -3.237 1.00 0.00 C ATOM 337 CD1 LEU A 25 9.687 2.397 -3.657 1.00 0.00 C ATOM 338 CD2 LEU A 25 11.243 4.209 -4.399 1.00 0.00 C ATOM 0 H LEU A 25 10.436 4.783 -0.459 1.00 0.00 H new ATOM 0 HA LEU A 25 10.922 6.276 -2.768 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.835 4.251 -1.944 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.786 4.990 -3.532 1.00 0.00 H new ATOM 0 HG LEU A 25 11.117 3.395 -2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.399 1.659 -4.025 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.150 1.989 -2.801 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.977 2.641 -4.447 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.934 3.446 -4.757 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.571 4.498 -5.207 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.806 5.081 -4.066 1.00 0.00 H new ATOM 350 N LEU A 26 7.914 6.873 -1.512 1.00 0.00 N ATOM 351 CA LEU A 26 6.854 7.872 -1.441 1.00 0.00 C ATOM 352 C LEU A 26 7.436 9.274 -1.293 1.00 0.00 C ATOM 353 O LEU A 26 7.233 10.136 -2.148 1.00 0.00 O ATOM 354 CB LEU A 26 5.919 7.570 -0.269 1.00 0.00 C ATOM 355 CG LEU A 26 4.981 6.376 -0.450 1.00 0.00 C ATOM 356 CD1 LEU A 26 4.449 5.906 0.895 1.00 0.00 C ATOM 357 CD2 LEU A 26 3.834 6.735 -1.384 1.00 0.00 C ATOM 0 H LEU A 26 7.699 5.996 -1.038 1.00 0.00 H new ATOM 0 HA LEU A 26 6.287 7.830 -2.371 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.526 7.398 0.620 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.314 8.456 -0.075 1.00 0.00 H new ATOM 0 HG LEU A 26 5.546 5.559 -0.899 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.783 5.056 0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.282 5.608 1.532 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.900 6.717 1.373 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.177 5.873 -1.501 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.270 7.567 -0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.233 7.022 -2.357 1.00 0.00 H new ATOM 369 N SER A 27 8.163 9.495 -0.202 1.00 0.00 N ATOM 370 CA SER A 27 8.774 10.793 0.060 1.00 0.00 C ATOM 371 C SER A 27 9.294 11.419 -1.231 1.00 0.00 C ATOM 372 O SER A 27 9.155 12.622 -1.451 1.00 0.00 O ATOM 373 CB SER A 27 9.917 10.649 1.067 1.00 0.00 C ATOM 374 OG SER A 27 10.193 11.884 1.705 1.00 0.00 O ATOM 0 H SER A 27 8.343 8.792 0.515 1.00 0.00 H new ATOM 0 HA SER A 27 8.011 11.448 0.479 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.655 9.900 1.815 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.812 10.291 0.558 1.00 0.00 H new ATOM 0 HG SER A 27 10.926 11.765 2.345 1.00 0.00 H new ATOM 380 N ARG A 28 9.895 10.593 -2.081 1.00 0.00 N ATOM 381 CA ARG A 28 10.438 11.064 -3.350 1.00 0.00 C ATOM 382 C ARG A 28 9.419 11.924 -4.091 1.00 0.00 C ATOM 383 O ARG A 28 9.637 13.116 -4.309 1.00 0.00 O ATOM 384 CB ARG A 28 10.851 9.878 -4.224 1.00 0.00 C ATOM 385 CG ARG A 28 11.842 8.942 -3.551 1.00 0.00 C ATOM 386 CD ARG A 28 13.278 9.370 -3.812 1.00 0.00 C ATOM 387 NE ARG A 28 13.561 9.495 -5.239 1.00 0.00 N ATOM 388 CZ ARG A 28 14.762 9.784 -5.727 1.00 0.00 C ATOM 389 NH1 ARG A 28 15.786 9.976 -4.908 1.00 0.00 N ATOM 390 NH2 ARG A 28 14.941 9.881 -7.039 1.00 0.00 N ATOM 0 H ARG A 28 10.018 9.594 -1.914 1.00 0.00 H new ATOM 0 HA ARG A 28 11.316 11.673 -3.137 1.00 0.00 H new ATOM 0 HB2 ARG A 28 9.960 9.313 -4.500 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.289 10.254 -5.149 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.656 8.924 -2.477 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.692 7.926 -3.917 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.467 10.324 -3.320 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.959 8.643 -3.370 1.00 0.00 H new ATOM 0 HE ARG A 28 12.795 9.353 -5.897 1.00 0.00 H new ATOM 0 HH11 ARG A 28 15.653 9.902 -3.899 1.00 0.00 H new ATOM 0 HH12 ARG A 28 16.707 10.198 -5.286 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.156 9.734 -7.673 1.00 0.00 H new ATOM 0 HH22 ARG A 28 15.864 10.103 -7.413 1.00 0.00 H new ATOM 404 N THR A 29 8.303 11.312 -4.477 1.00 0.00 N ATOM 405 CA THR A 29 7.252 12.021 -5.195 1.00 0.00 C ATOM 406 C THR A 29 6.944 13.361 -4.538 1.00 0.00 C ATOM 407 O THR A 29 7.068 14.413 -5.163 1.00 0.00 O ATOM 408 CB THR A 29 5.958 11.187 -5.264 1.00 0.00 C ATOM 409 OG1 THR A 29 6.251 9.867 -5.735 1.00 0.00 O ATOM 410 CG2 THR A 29 4.939 11.844 -6.182 1.00 0.00 C ATOM 0 H THR A 29 8.105 10.327 -4.304 1.00 0.00 H new ATOM 0 HA THR A 29 7.621 12.192 -6.206 1.00 0.00 H new ATOM 0 HB THR A 29 5.535 11.129 -4.261 1.00 0.00 H new ATOM 0 HG1 THR A 29 5.639 9.637 -6.465 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.034 11.237 -6.215 1.00 0.00 H new ATOM 0 HG22 THR A 29 4.696 12.837 -5.804 1.00 0.00 H new ATOM 0 HG23 THR A 29 5.355 11.929 -7.186 1.00 0.00 H new ATOM 418 N GLY A 30 6.542 13.315 -3.271 1.00 0.00 N ATOM 419 CA GLY A 30 6.224 14.534 -2.549 1.00 0.00 C ATOM 420 C GLY A 30 4.935 15.171 -3.028 1.00 0.00 C ATOM 421 O GLY A 30 4.872 16.383 -3.238 1.00 0.00 O ATOM 0 H GLY A 30 6.431 12.456 -2.732 1.00 0.00 H new ATOM 0 HA2 GLY A 30 6.143 14.312 -1.485 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.042 15.245 -2.664 1.00 0.00 H new ATOM 425 N LYS A 31 3.902 14.353 -3.204 1.00 0.00 N ATOM 426 CA LYS A 31 2.607 14.843 -3.662 1.00 0.00 C ATOM 427 C LYS A 31 1.507 14.479 -2.671 1.00 0.00 C ATOM 428 O LYS A 31 1.619 13.498 -1.937 1.00 0.00 O ATOM 429 CB LYS A 31 2.279 14.265 -5.040 1.00 0.00 C ATOM 430 CG LYS A 31 2.803 15.104 -6.193 1.00 0.00 C ATOM 431 CD LYS A 31 2.132 14.730 -7.504 1.00 0.00 C ATOM 432 CE LYS A 31 2.831 13.557 -8.174 1.00 0.00 C ATOM 433 NZ LYS A 31 2.361 13.357 -9.573 1.00 0.00 N ATOM 0 H LYS A 31 3.937 13.347 -3.036 1.00 0.00 H new ATOM 0 HA LYS A 31 2.662 15.929 -3.734 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.698 13.261 -5.113 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.198 14.167 -5.135 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.631 16.160 -5.983 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.881 14.968 -6.283 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.088 14.476 -7.320 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.137 15.589 -8.175 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.908 13.727 -8.173 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.651 12.650 -7.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.974 12.665 -10.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.383 13.005 -9.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.398 14.262 -10.084 1.00 0.00 H new ATOM 447 N ASP A 32 0.443 15.276 -2.656 1.00 0.00 N ATOM 448 CA ASP A 32 -0.679 15.036 -1.757 1.00 0.00 C ATOM 449 C ASP A 32 -1.666 14.049 -2.371 1.00 0.00 C ATOM 450 O ASP A 32 -2.794 14.409 -2.705 1.00 0.00 O ATOM 451 CB ASP A 32 -1.390 16.351 -1.432 1.00 0.00 C ATOM 452 CG ASP A 32 -0.545 17.267 -0.567 1.00 0.00 C ATOM 453 OD1 ASP A 32 0.697 17.203 -0.673 1.00 0.00 O ATOM 454 OD2 ASP A 32 -1.127 18.047 0.216 1.00 0.00 O ATOM 0 H ASP A 32 0.335 16.093 -3.256 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.288 14.605 -0.835 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.643 16.863 -2.360 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.328 16.137 -0.921 1.00 0.00 H new ATOM 459 N GLY A 33 -1.233 12.800 -2.519 1.00 0.00 N ATOM 460 CA GLY A 33 -2.090 11.781 -3.094 1.00 0.00 C ATOM 461 C GLY A 33 -1.304 10.626 -3.682 1.00 0.00 C ATOM 462 O GLY A 33 -1.713 10.030 -4.678 1.00 0.00 O ATOM 0 H GLY A 33 -0.304 12.477 -2.251 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.765 11.403 -2.326 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.709 12.228 -3.872 1.00 0.00 H new ATOM 466 N SER A 34 -0.170 10.310 -3.065 1.00 0.00 N ATOM 467 CA SER A 34 0.680 9.222 -3.537 1.00 0.00 C ATOM 468 C SER A 34 0.322 7.912 -2.840 1.00 0.00 C ATOM 469 O SER A 34 -0.031 7.899 -1.661 1.00 0.00 O ATOM 470 CB SER A 34 2.153 9.555 -3.295 1.00 0.00 C ATOM 471 OG SER A 34 2.683 10.325 -4.360 1.00 0.00 O ATOM 0 H SER A 34 0.182 10.791 -2.237 1.00 0.00 H new ATOM 0 HA SER A 34 0.513 9.102 -4.607 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.256 10.104 -2.359 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.725 8.633 -3.189 1.00 0.00 H new ATOM 0 HG SER A 34 3.391 10.911 -4.019 1.00 0.00 H new ATOM 477 N PHE A 35 0.415 6.812 -3.579 1.00 0.00 N ATOM 478 CA PHE A 35 0.101 5.496 -3.035 1.00 0.00 C ATOM 479 C PHE A 35 0.894 4.407 -3.751 1.00 0.00 C ATOM 480 O PHE A 35 1.291 4.570 -4.906 1.00 0.00 O ATOM 481 CB PHE A 35 -1.398 5.215 -3.157 1.00 0.00 C ATOM 482 CG PHE A 35 -1.816 4.777 -4.532 1.00 0.00 C ATOM 483 CD1 PHE A 35 -2.007 5.707 -5.541 1.00 0.00 C ATOM 484 CD2 PHE A 35 -2.017 3.436 -4.815 1.00 0.00 C ATOM 485 CE1 PHE A 35 -2.390 5.307 -6.808 1.00 0.00 C ATOM 486 CE2 PHE A 35 -2.400 3.030 -6.079 1.00 0.00 C ATOM 487 CZ PHE A 35 -2.589 3.967 -7.076 1.00 0.00 C ATOM 0 H PHE A 35 0.705 6.806 -4.557 1.00 0.00 H new ATOM 0 HA PHE A 35 0.380 5.490 -1.981 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -1.674 4.443 -2.439 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.951 6.114 -2.887 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.855 6.756 -5.336 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.873 2.699 -4.039 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.533 6.041 -7.587 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -2.551 1.981 -6.287 1.00 0.00 H new ATOM 0 HZ PHE A 35 -2.892 3.652 -8.064 1.00 0.00 H new ATOM 497 N LEU A 36 1.122 3.297 -3.058 1.00 0.00 N ATOM 498 CA LEU A 36 1.869 2.180 -3.626 1.00 0.00 C ATOM 499 C LEU A 36 1.539 0.879 -2.901 1.00 0.00 C ATOM 500 O LEU A 36 0.921 0.890 -1.836 1.00 0.00 O ATOM 501 CB LEU A 36 3.372 2.454 -3.549 1.00 0.00 C ATOM 502 CG LEU A 36 3.975 2.495 -2.144 1.00 0.00 C ATOM 503 CD1 LEU A 36 4.095 1.090 -1.574 1.00 0.00 C ATOM 504 CD2 LEU A 36 5.333 3.181 -2.167 1.00 0.00 C ATOM 0 H LEU A 36 0.800 3.146 -2.102 1.00 0.00 H new ATOM 0 HA LEU A 36 1.579 2.075 -4.671 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.891 1.687 -4.123 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.573 3.408 -4.037 1.00 0.00 H new ATOM 0 HG LEU A 36 3.310 3.071 -1.500 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.526 1.139 -0.574 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.107 0.633 -1.521 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.738 0.490 -2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.747 3.201 -1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.007 2.632 -2.825 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.219 4.201 -2.533 1.00 0.00 H new ATOM 516 N VAL A 37 1.958 -0.240 -3.483 1.00 0.00 N ATOM 517 CA VAL A 37 1.710 -1.549 -2.891 1.00 0.00 C ATOM 518 C VAL A 37 2.991 -2.371 -2.820 1.00 0.00 C ATOM 519 O VAL A 37 3.903 -2.190 -3.628 1.00 0.00 O ATOM 520 CB VAL A 37 0.652 -2.334 -3.689 1.00 0.00 C ATOM 521 CG1 VAL A 37 0.409 -3.696 -3.056 1.00 0.00 C ATOM 522 CG2 VAL A 37 -0.643 -1.541 -3.781 1.00 0.00 C ATOM 0 H VAL A 37 2.471 -0.266 -4.364 1.00 0.00 H new ATOM 0 HA VAL A 37 1.337 -1.375 -1.882 1.00 0.00 H new ATOM 0 HB VAL A 37 1.027 -2.491 -4.700 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.341 -4.237 -3.633 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.339 -4.264 -3.047 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.055 -3.564 -2.034 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.379 -2.111 -4.348 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.025 -1.351 -2.778 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.454 -0.592 -4.283 1.00 0.00 H new ATOM 532 N ARG A 38 3.054 -3.276 -1.849 1.00 0.00 N ATOM 533 CA ARG A 38 4.225 -4.127 -1.672 1.00 0.00 C ATOM 534 C ARG A 38 3.855 -5.415 -0.941 1.00 0.00 C ATOM 535 O ARG A 38 2.852 -5.471 -0.231 1.00 0.00 O ATOM 536 CB ARG A 38 5.311 -3.381 -0.895 1.00 0.00 C ATOM 537 CG ARG A 38 4.852 -2.880 0.465 1.00 0.00 C ATOM 538 CD ARG A 38 5.939 -2.074 1.158 1.00 0.00 C ATOM 539 NE ARG A 38 5.698 -1.949 2.593 1.00 0.00 N ATOM 540 CZ ARG A 38 5.991 -2.901 3.472 1.00 0.00 C ATOM 541 NH1 ARG A 38 6.533 -4.040 3.065 1.00 0.00 N ATOM 542 NH2 ARG A 38 5.742 -2.713 4.762 1.00 0.00 N ATOM 0 H ARG A 38 2.308 -3.439 -1.173 1.00 0.00 H new ATOM 0 HA ARG A 38 4.607 -4.386 -2.659 1.00 0.00 H new ATOM 0 HB2 ARG A 38 6.167 -4.041 -0.759 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.653 -2.533 -1.489 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.961 -2.264 0.345 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.571 -3.728 1.090 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.905 -2.551 0.993 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.994 -1.081 0.712 1.00 0.00 H new ATOM 0 HE ARG A 38 5.282 -1.084 2.939 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.726 -4.188 2.074 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.757 -4.769 3.742 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.326 -1.837 5.079 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.967 -3.444 5.437 1.00 0.00 H new ATOM 556 N ALA A 39 4.673 -6.447 -1.122 1.00 0.00 N ATOM 557 CA ALA A 39 4.434 -7.733 -0.479 1.00 0.00 C ATOM 558 C ALA A 39 4.826 -7.692 0.994 1.00 0.00 C ATOM 559 O ALA A 39 5.965 -7.373 1.335 1.00 0.00 O ATOM 560 CB ALA A 39 5.197 -8.834 -1.200 1.00 0.00 C ATOM 0 H ALA A 39 5.507 -6.417 -1.709 1.00 0.00 H new ATOM 0 HA ALA A 39 3.367 -7.947 -0.538 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.009 -9.789 -0.709 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.865 -8.888 -2.237 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.264 -8.615 -1.172 1.00 0.00 H new ATOM 566 N SER A 40 3.875 -8.016 1.864 1.00 0.00 N ATOM 567 CA SER A 40 4.120 -8.011 3.302 1.00 0.00 C ATOM 568 C SER A 40 5.213 -9.010 3.669 1.00 0.00 C ATOM 569 O SER A 40 5.706 -9.748 2.817 1.00 0.00 O ATOM 570 CB SER A 40 2.833 -8.343 4.061 1.00 0.00 C ATOM 571 OG SER A 40 2.550 -9.730 4.003 1.00 0.00 O ATOM 0 H SER A 40 2.928 -8.285 1.599 1.00 0.00 H new ATOM 0 HA SER A 40 4.453 -7.013 3.586 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.930 -8.032 5.101 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.001 -7.781 3.636 1.00 0.00 H new ATOM 0 HG SER A 40 2.372 -10.066 4.906 1.00 0.00 H new ATOM 657 N ALA A 46 -0.554 -12.271 2.301 1.00 0.00 N ATOM 658 CA ALA A 46 -0.984 -10.918 2.636 1.00 0.00 C ATOM 659 C ALA A 46 -0.243 -9.884 1.795 1.00 0.00 C ATOM 660 O ALA A 46 0.696 -10.215 1.071 1.00 0.00 O ATOM 661 CB ALA A 46 -0.771 -10.648 4.118 1.00 0.00 C ATOM 0 HA ALA A 46 -2.048 -10.835 2.413 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.096 -9.635 4.354 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.351 -11.361 4.705 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.287 -10.755 4.359 1.00 0.00 H new ATOM 667 N TYR A 47 -0.672 -8.630 1.896 1.00 0.00 N ATOM 668 CA TYR A 47 -0.052 -7.548 1.142 1.00 0.00 C ATOM 669 C TYR A 47 0.006 -6.269 1.973 1.00 0.00 C ATOM 670 O TYR A 47 -0.352 -6.264 3.150 1.00 0.00 O ATOM 671 CB TYR A 47 -0.823 -7.292 -0.154 1.00 0.00 C ATOM 672 CG TYR A 47 -0.337 -8.120 -1.322 1.00 0.00 C ATOM 673 CD1 TYR A 47 0.728 -7.693 -2.106 1.00 0.00 C ATOM 674 CD2 TYR A 47 -0.941 -9.330 -1.640 1.00 0.00 C ATOM 675 CE1 TYR A 47 1.175 -8.446 -3.174 1.00 0.00 C ATOM 676 CE2 TYR A 47 -0.499 -10.091 -2.705 1.00 0.00 C ATOM 677 CZ TYR A 47 0.559 -9.644 -3.470 1.00 0.00 C ATOM 678 OH TYR A 47 1.002 -10.398 -4.532 1.00 0.00 O ATOM 0 H TYR A 47 -1.446 -8.339 2.493 1.00 0.00 H new ATOM 0 HA TYR A 47 0.967 -7.848 0.897 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.879 -7.501 0.014 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.744 -6.236 -0.411 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.214 -6.756 -1.876 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.770 -9.682 -1.044 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.003 -8.098 -3.774 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.979 -11.030 -2.937 1.00 0.00 H new ATOM 0 HH TYR A 47 0.462 -11.212 -4.603 1.00 0.00 H new ATOM 688 N ALA A 48 0.460 -5.187 1.350 1.00 0.00 N ATOM 689 CA ALA A 48 0.563 -3.901 2.029 1.00 0.00 C ATOM 690 C ALA A 48 0.412 -2.746 1.045 1.00 0.00 C ATOM 691 O ALA A 48 1.004 -2.756 -0.035 1.00 0.00 O ATOM 692 CB ALA A 48 1.891 -3.798 2.766 1.00 0.00 C ATOM 0 H ALA A 48 0.762 -5.175 0.376 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.249 -3.835 2.753 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.954 -2.833 3.268 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.960 -4.597 3.504 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.711 -3.891 2.054 1.00 0.00 H new ATOM 698 N LEU A 49 -0.385 -1.753 1.424 1.00 0.00 N ATOM 699 CA LEU A 49 -0.616 -0.590 0.574 1.00 0.00 C ATOM 700 C LEU A 49 -0.275 0.700 1.313 1.00 0.00 C ATOM 701 O LEU A 49 -1.030 1.151 2.175 1.00 0.00 O ATOM 702 CB LEU A 49 -2.072 -0.555 0.108 1.00 0.00 C ATOM 703 CG LEU A 49 -2.575 0.788 -0.422 1.00 0.00 C ATOM 704 CD1 LEU A 49 -2.194 0.961 -1.885 1.00 0.00 C ATOM 705 CD2 LEU A 49 -4.082 0.901 -0.245 1.00 0.00 C ATOM 0 H LEU A 49 -0.882 -1.730 2.314 1.00 0.00 H new ATOM 0 HA LEU A 49 0.035 -0.672 -0.296 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.200 -1.303 -0.675 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.707 -0.855 0.942 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.101 1.584 0.153 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.560 1.922 -2.245 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.109 0.925 -1.985 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.639 0.159 -2.474 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.422 1.863 -0.628 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.574 0.098 -0.794 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.331 0.823 0.813 1.00 0.00 H new ATOM 717 N CYS A 50 0.864 1.290 0.967 1.00 0.00 N ATOM 718 CA CYS A 50 1.305 2.530 1.597 1.00 0.00 C ATOM 719 C CYS A 50 0.663 3.739 0.924 1.00 0.00 C ATOM 720 O CYS A 50 0.394 3.724 -0.277 1.00 0.00 O ATOM 721 CB CYS A 50 2.829 2.645 1.533 1.00 0.00 C ATOM 722 SG CYS A 50 3.706 1.237 2.251 1.00 0.00 S ATOM 0 H CYS A 50 1.499 0.930 0.254 1.00 0.00 H new ATOM 0 HA CYS A 50 0.993 2.510 2.641 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.131 2.755 0.491 1.00 0.00 H new ATOM 0 HB3 CYS A 50 3.136 3.553 2.051 1.00 0.00 H new ATOM 0 HG CYS A 50 4.610 1.666 3.081 1.00 0.00 H new ATOM 728 N VAL A 51 0.417 4.784 1.708 1.00 0.00 N ATOM 729 CA VAL A 51 -0.195 6.001 1.189 1.00 0.00 C ATOM 730 C VAL A 51 0.435 7.242 1.812 1.00 0.00 C ATOM 731 O VAL A 51 0.543 7.348 3.035 1.00 0.00 O ATOM 732 CB VAL A 51 -1.712 6.023 1.450 1.00 0.00 C ATOM 733 CG1 VAL A 51 -2.280 7.410 1.191 1.00 0.00 C ATOM 734 CG2 VAL A 51 -2.415 4.981 0.592 1.00 0.00 C ATOM 0 H VAL A 51 0.632 4.812 2.705 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.019 6.009 0.113 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.886 5.776 2.497 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.353 7.405 1.381 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.798 8.130 1.852 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.096 7.690 0.154 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.487 5.010 0.789 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.234 5.195 -0.461 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.029 3.991 0.833 1.00 0.00 H new ATOM 744 N LEU A 52 0.848 8.178 0.966 1.00 0.00 N ATOM 745 CA LEU A 52 1.467 9.414 1.434 1.00 0.00 C ATOM 746 C LEU A 52 0.496 10.585 1.323 1.00 0.00 C ATOM 747 O LEU A 52 0.089 10.965 0.225 1.00 0.00 O ATOM 748 CB LEU A 52 2.734 9.709 0.629 1.00 0.00 C ATOM 749 CG LEU A 52 3.534 10.938 1.064 1.00 0.00 C ATOM 750 CD1 LEU A 52 4.511 10.575 2.171 1.00 0.00 C ATOM 751 CD2 LEU A 52 4.270 11.542 -0.123 1.00 0.00 C ATOM 0 H LEU A 52 0.766 8.105 -0.048 1.00 0.00 H new ATOM 0 HA LEU A 52 1.732 9.284 2.483 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.386 8.837 0.684 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.455 9.833 -0.417 1.00 0.00 H new ATOM 0 HG LEU A 52 2.838 11.682 1.452 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.071 11.462 2.467 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.961 10.189 3.030 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.202 9.813 1.811 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.834 12.415 0.205 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.955 10.804 -0.541 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.549 11.840 -0.885 1.00 0.00 H new ATOM 763 N TYR A 53 0.131 11.154 2.466 1.00 0.00 N ATOM 764 CA TYR A 53 -0.792 12.283 2.497 1.00 0.00 C ATOM 765 C TYR A 53 -0.134 13.507 3.126 1.00 0.00 C ATOM 766 O TYR A 53 0.034 14.538 2.474 1.00 0.00 O ATOM 767 CB TYR A 53 -2.056 11.913 3.276 1.00 0.00 C ATOM 768 CG TYR A 53 -3.148 12.955 3.186 1.00 0.00 C ATOM 769 CD1 TYR A 53 -3.438 13.584 1.981 1.00 0.00 C ATOM 770 CD2 TYR A 53 -3.890 13.310 4.305 1.00 0.00 C ATOM 771 CE1 TYR A 53 -4.435 14.536 1.894 1.00 0.00 C ATOM 772 CE2 TYR A 53 -4.890 14.261 4.228 1.00 0.00 C ATOM 773 CZ TYR A 53 -5.158 14.871 3.020 1.00 0.00 C ATOM 774 OH TYR A 53 -6.152 15.819 2.939 1.00 0.00 O ATOM 0 H TYR A 53 0.460 10.852 3.383 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.064 12.526 1.470 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.439 10.964 2.901 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.796 11.761 4.323 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -2.874 13.324 1.097 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.682 12.835 5.252 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.647 15.015 0.950 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -5.458 14.525 5.108 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.564 15.937 3.820 1.00 0.00 H new ATOM 784 N ARG A 54 0.237 13.385 4.396 1.00 0.00 N ATOM 785 CA ARG A 54 0.876 14.481 5.114 1.00 0.00 C ATOM 786 C ARG A 54 2.221 14.044 5.687 1.00 0.00 C ATOM 787 O ARG A 54 2.333 13.744 6.875 1.00 0.00 O ATOM 788 CB ARG A 54 -0.032 14.980 6.239 1.00 0.00 C ATOM 789 CG ARG A 54 -1.494 15.087 5.840 1.00 0.00 C ATOM 790 CD ARG A 54 -1.816 16.457 5.263 1.00 0.00 C ATOM 791 NE ARG A 54 -2.216 17.406 6.298 1.00 0.00 N ATOM 792 CZ ARG A 54 -2.464 18.690 6.062 1.00 0.00 C ATOM 793 NH1 ARG A 54 -2.354 19.175 4.833 1.00 0.00 N ATOM 794 NH2 ARG A 54 -2.824 19.491 7.057 1.00 0.00 N ATOM 0 H ARG A 54 0.106 12.538 4.949 1.00 0.00 H new ATOM 0 HA ARG A 54 1.048 15.294 4.408 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.055 14.305 7.091 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.318 15.958 6.570 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.729 14.317 5.105 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.124 14.900 6.710 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.944 16.842 4.735 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.616 16.362 4.529 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.310 17.065 7.255 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.078 18.562 4.066 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.545 20.161 4.655 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.910 19.121 8.004 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.014 20.476 6.875 1.00 0.00 H new ATOM 808 N ASN A 55 3.240 14.012 4.834 1.00 0.00 N ATOM 809 CA ASN A 55 4.577 13.611 5.255 1.00 0.00 C ATOM 810 C ASN A 55 4.523 12.346 6.107 1.00 0.00 C ATOM 811 O ASN A 55 5.381 12.124 6.962 1.00 0.00 O ATOM 812 CB ASN A 55 5.247 14.740 6.040 1.00 0.00 C ATOM 813 CG ASN A 55 6.726 14.491 6.264 1.00 0.00 C ATOM 814 OD1 ASN A 55 7.430 14.022 5.369 1.00 0.00 O ATOM 815 ND2 ASN A 55 7.205 14.804 7.462 1.00 0.00 N ATOM 0 H ASN A 55 3.165 14.259 3.847 1.00 0.00 H new ATOM 0 HA ASN A 55 5.164 13.401 4.361 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.117 15.679 5.502 1.00 0.00 H new ATOM 0 HB3 ASN A 55 4.750 14.853 7.004 1.00 0.00 H new ATOM 0 HD21 ASN A 55 8.193 14.658 7.670 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.585 15.190 8.174 1.00 0.00 H new ATOM 822 N CYS A 56 3.509 11.522 5.868 1.00 0.00 N ATOM 823 CA CYS A 56 3.342 10.279 6.614 1.00 0.00 C ATOM 824 C CYS A 56 2.928 9.141 5.688 1.00 0.00 C ATOM 825 O CYS A 56 2.286 9.364 4.661 1.00 0.00 O ATOM 826 CB CYS A 56 2.301 10.459 7.719 1.00 0.00 C ATOM 827 SG CYS A 56 2.918 11.326 9.181 1.00 0.00 S ATOM 0 H CYS A 56 2.790 11.692 5.164 1.00 0.00 H new ATOM 0 HA CYS A 56 4.300 10.024 7.067 1.00 0.00 H new ATOM 0 HB2 CYS A 56 1.450 11.009 7.316 1.00 0.00 H new ATOM 0 HB3 CYS A 56 1.933 9.478 8.020 1.00 0.00 H new ATOM 0 HG CYS A 56 4.014 11.958 8.881 1.00 0.00 H new ATOM 833 N VAL A 57 3.300 7.919 6.056 1.00 0.00 N ATOM 834 CA VAL A 57 2.967 6.745 5.258 1.00 0.00 C ATOM 835 C VAL A 57 1.988 5.839 5.995 1.00 0.00 C ATOM 836 O VAL A 57 2.305 5.295 7.053 1.00 0.00 O ATOM 837 CB VAL A 57 4.227 5.936 4.898 1.00 0.00 C ATOM 838 CG1 VAL A 57 3.868 4.757 4.006 1.00 0.00 C ATOM 839 CG2 VAL A 57 5.260 6.828 4.226 1.00 0.00 C ATOM 0 H VAL A 57 3.832 7.716 6.902 1.00 0.00 H new ATOM 0 HA VAL A 57 2.502 7.107 4.341 1.00 0.00 H new ATOM 0 HB VAL A 57 4.662 5.546 5.818 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.771 4.197 3.762 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.167 4.106 4.528 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.408 5.122 3.088 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.143 6.239 3.979 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.838 7.250 3.314 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.540 7.635 4.903 1.00 0.00 H new ATOM 849 N TYR A 58 0.797 5.681 5.430 1.00 0.00 N ATOM 850 CA TYR A 58 -0.231 4.842 6.034 1.00 0.00 C ATOM 851 C TYR A 58 -0.342 3.506 5.306 1.00 0.00 C ATOM 852 O TYR A 58 -0.873 3.430 4.197 1.00 0.00 O ATOM 853 CB TYR A 58 -1.582 5.559 6.014 1.00 0.00 C ATOM 854 CG TYR A 58 -1.519 6.983 6.520 1.00 0.00 C ATOM 855 CD1 TYR A 58 -1.558 7.260 7.881 1.00 0.00 C ATOM 856 CD2 TYR A 58 -1.420 8.051 5.637 1.00 0.00 C ATOM 857 CE1 TYR A 58 -1.502 8.558 8.348 1.00 0.00 C ATOM 858 CE2 TYR A 58 -1.361 9.353 6.095 1.00 0.00 C ATOM 859 CZ TYR A 58 -1.403 9.602 7.451 1.00 0.00 C ATOM 860 OH TYR A 58 -1.345 10.897 7.912 1.00 0.00 O ATOM 0 H TYR A 58 0.519 6.123 4.554 1.00 0.00 H new ATOM 0 HA TYR A 58 0.056 4.649 7.068 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -1.968 5.561 4.995 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.291 4.997 6.622 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -1.633 6.445 8.586 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.389 7.860 4.574 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -1.535 8.755 9.409 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -1.282 10.172 5.395 1.00 0.00 H new ATOM 0 HH TYR A 58 -1.276 11.512 7.152 1.00 0.00 H new ATOM 870 N THR A 59 0.164 2.451 5.938 1.00 0.00 N ATOM 871 CA THR A 59 0.124 1.117 5.353 1.00 0.00 C ATOM 872 C THR A 59 -1.228 0.453 5.590 1.00 0.00 C ATOM 873 O THR A 59 -1.818 0.590 6.662 1.00 0.00 O ATOM 874 CB THR A 59 1.233 0.217 5.928 1.00 0.00 C ATOM 875 OG1 THR A 59 1.484 0.561 7.295 1.00 0.00 O ATOM 876 CG2 THR A 59 2.516 0.357 5.122 1.00 0.00 C ATOM 0 H THR A 59 0.607 2.495 6.856 1.00 0.00 H new ATOM 0 HA THR A 59 0.284 1.237 4.282 1.00 0.00 H new ATOM 0 HB THR A 59 0.896 -0.818 5.870 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.189 -0.017 7.654 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.285 -0.288 5.547 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.330 0.067 4.088 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.854 1.393 5.153 1.00 0.00 H new ATOM 884 N TYR A 60 -1.713 -0.267 4.584 1.00 0.00 N ATOM 885 CA TYR A 60 -2.996 -0.951 4.683 1.00 0.00 C ATOM 886 C TYR A 60 -2.862 -2.420 4.293 1.00 0.00 C ATOM 887 O TYR A 60 -3.091 -2.792 3.142 1.00 0.00 O ATOM 888 CB TYR A 60 -4.033 -0.267 3.791 1.00 0.00 C ATOM 889 CG TYR A 60 -4.612 0.994 4.391 1.00 0.00 C ATOM 890 CD1 TYR A 60 -5.524 0.933 5.438 1.00 0.00 C ATOM 891 CD2 TYR A 60 -4.246 2.246 3.912 1.00 0.00 C ATOM 892 CE1 TYR A 60 -6.056 2.083 5.989 1.00 0.00 C ATOM 893 CE2 TYR A 60 -4.772 3.401 4.458 1.00 0.00 C ATOM 894 CZ TYR A 60 -5.677 3.314 5.496 1.00 0.00 C ATOM 895 OH TYR A 60 -6.204 4.461 6.043 1.00 0.00 O ATOM 0 H TYR A 60 -1.236 -0.392 3.691 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.328 -0.898 5.720 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -3.573 -0.025 2.833 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.843 -0.967 3.587 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -5.822 -0.029 5.827 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.538 2.317 3.099 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.765 2.018 6.801 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.477 4.366 4.075 1.00 0.00 H new ATOM 0 HH TYR A 60 -5.833 5.243 5.583 1.00 0.00 H new ATOM 905 N ARG A 61 -2.489 -3.251 5.261 1.00 0.00 N ATOM 906 CA ARG A 61 -2.324 -4.679 5.021 1.00 0.00 C ATOM 907 C ARG A 61 -3.595 -5.282 4.432 1.00 0.00 C ATOM 908 O ARG A 61 -4.685 -5.116 4.981 1.00 0.00 O ATOM 909 CB ARG A 61 -1.960 -5.398 6.321 1.00 0.00 C ATOM 910 CG ARG A 61 -3.019 -5.271 7.404 1.00 0.00 C ATOM 911 CD ARG A 61 -2.544 -5.866 8.720 1.00 0.00 C ATOM 912 NE ARG A 61 -2.092 -7.247 8.565 1.00 0.00 N ATOM 913 CZ ARG A 61 -2.064 -8.127 9.560 1.00 0.00 C ATOM 914 NH1 ARG A 61 -2.459 -7.772 10.775 1.00 0.00 N ATOM 915 NH2 ARG A 61 -1.640 -9.365 9.340 1.00 0.00 N ATOM 0 H ARG A 61 -2.295 -2.959 6.219 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.514 -4.810 4.303 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.795 -6.454 6.108 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.018 -4.997 6.697 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.269 -4.220 7.548 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.931 -5.775 7.084 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.730 -5.261 9.119 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.354 -5.829 9.448 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.781 -7.552 7.643 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.785 -6.821 10.948 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.436 -8.450 11.537 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.335 -9.641 8.407 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.619 -10.040 10.104 1.00 0.00 H new ATOM 929 N ILE A 62 -3.449 -5.982 3.312 1.00 0.00 N ATOM 930 CA ILE A 62 -4.585 -6.610 2.649 1.00 0.00 C ATOM 931 C ILE A 62 -4.621 -8.109 2.923 1.00 0.00 C ATOM 932 O ILE A 62 -3.917 -8.887 2.278 1.00 0.00 O ATOM 933 CB ILE A 62 -4.548 -6.378 1.127 1.00 0.00 C ATOM 934 CG1 ILE A 62 -4.592 -4.880 0.816 1.00 0.00 C ATOM 935 CG2 ILE A 62 -5.706 -7.099 0.453 1.00 0.00 C ATOM 936 CD1 ILE A 62 -3.224 -4.239 0.738 1.00 0.00 C ATOM 0 H ILE A 62 -2.554 -6.129 2.844 1.00 0.00 H new ATOM 0 HA ILE A 62 -5.484 -6.147 3.057 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.615 -6.784 0.735 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.110 -4.729 -0.131 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.178 -4.375 1.584 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.666 -6.925 -0.622 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.633 -8.168 0.651 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -6.649 -6.720 0.847 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.332 -3.178 0.515 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.711 -4.359 1.692 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.642 -4.718 -0.049 1.00 0.00 H new ATOM 948 N LEU A 63 -5.447 -8.510 3.883 1.00 0.00 N ATOM 949 CA LEU A 63 -5.578 -9.918 4.242 1.00 0.00 C ATOM 950 C LEU A 63 -6.577 -10.622 3.330 1.00 0.00 C ATOM 951 O LEU A 63 -7.616 -10.072 2.964 1.00 0.00 O ATOM 952 CB LEU A 63 -6.018 -10.054 5.701 1.00 0.00 C ATOM 953 CG LEU A 63 -5.010 -9.589 6.752 1.00 0.00 C ATOM 954 CD1 LEU A 63 -4.094 -10.734 7.156 1.00 0.00 C ATOM 955 CD2 LEU A 63 -4.198 -8.413 6.229 1.00 0.00 C ATOM 0 H LEU A 63 -6.036 -7.880 4.427 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.604 -10.391 4.117 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.940 -9.489 5.836 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.255 -11.101 5.892 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.559 -9.261 7.635 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.383 -10.384 7.905 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.689 -11.547 7.572 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.552 -11.093 6.281 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.486 -8.095 6.990 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.659 -8.714 5.331 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.867 -7.586 5.991 1.00 0.00 H new ATOM 967 N PRO A 64 -6.258 -11.870 2.954 1.00 0.00 N ATOM 968 CA PRO A 64 -7.116 -12.677 2.082 1.00 0.00 C ATOM 969 C PRO A 64 -8.404 -13.110 2.775 1.00 0.00 C ATOM 970 O PRO A 64 -8.465 -13.182 4.002 1.00 0.00 O ATOM 971 CB PRO A 64 -6.248 -13.896 1.759 1.00 0.00 C ATOM 972 CG PRO A 64 -5.300 -13.999 2.904 1.00 0.00 C ATOM 973 CD PRO A 64 -5.036 -12.588 3.352 1.00 0.00 C ATOM 0 HA PRO A 64 -7.439 -12.121 1.202 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.852 -14.798 1.663 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.717 -13.766 0.816 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.728 -14.591 3.713 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.376 -14.492 2.602 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.870 -12.532 4.428 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.151 -12.172 2.871 1.00 0.00 H new ATOM 981 N ASN A 65 -9.430 -13.397 1.981 1.00 0.00 N ATOM 982 CA ASN A 65 -10.717 -13.823 2.519 1.00 0.00 C ATOM 983 C ASN A 65 -11.040 -15.251 2.091 1.00 0.00 C ATOM 984 O ASN A 65 -10.274 -15.879 1.361 1.00 0.00 O ATOM 985 CB ASN A 65 -11.826 -12.876 2.055 1.00 0.00 C ATOM 986 CG ASN A 65 -12.452 -13.317 0.746 1.00 0.00 C ATOM 987 OD1 ASN A 65 -11.839 -14.046 -0.034 1.00 0.00 O ATOM 988 ND2 ASN A 65 -13.680 -12.876 0.500 1.00 0.00 N ATOM 0 H ASN A 65 -9.396 -13.342 0.963 1.00 0.00 H new ATOM 0 HA ASN A 65 -10.655 -13.794 3.607 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -12.597 -12.820 2.823 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -11.418 -11.872 1.940 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -14.153 -13.140 -0.364 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -14.150 -12.273 1.175 1.00 0.00 H new ATOM 995 N GLU A 66 -12.180 -15.757 2.551 1.00 0.00 N ATOM 996 CA GLU A 66 -12.604 -17.112 2.215 1.00 0.00 C ATOM 997 C GLU A 66 -12.328 -17.420 0.746 1.00 0.00 C ATOM 998 O GLU A 66 -11.716 -18.437 0.419 1.00 0.00 O ATOM 999 CB GLU A 66 -14.094 -17.292 2.514 1.00 0.00 C ATOM 1000 CG GLU A 66 -14.451 -17.085 3.976 1.00 0.00 C ATOM 1001 CD GLU A 66 -14.793 -15.642 4.293 1.00 0.00 C ATOM 1002 OE1 GLU A 66 -15.812 -15.145 3.769 1.00 0.00 O ATOM 1003 OE2 GLU A 66 -14.043 -15.010 5.065 1.00 0.00 O ATOM 0 H GLU A 66 -12.826 -15.250 3.156 1.00 0.00 H new ATOM 0 HA GLU A 66 -12.031 -17.808 2.828 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.665 -16.590 1.906 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -14.398 -18.295 2.213 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -15.299 -17.720 4.233 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.615 -17.402 4.599 1.00 0.00 H new ATOM 1010 N ASP A 67 -12.783 -16.535 -0.134 1.00 0.00 N ATOM 1011 CA ASP A 67 -12.585 -16.712 -1.568 1.00 0.00 C ATOM 1012 C ASP A 67 -11.215 -16.193 -1.995 1.00 0.00 C ATOM 1013 O ASP A 67 -11.066 -15.624 -3.076 1.00 0.00 O ATOM 1014 CB ASP A 67 -13.684 -15.990 -2.349 1.00 0.00 C ATOM 1015 CG ASP A 67 -15.033 -16.669 -2.212 1.00 0.00 C ATOM 1016 OD1 ASP A 67 -15.232 -17.725 -2.848 1.00 0.00 O ATOM 1017 OD2 ASP A 67 -15.889 -16.144 -1.470 1.00 0.00 O ATOM 0 H ASP A 67 -13.291 -15.688 0.120 1.00 0.00 H new ATOM 0 HA ASP A 67 -12.635 -17.778 -1.788 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -13.761 -14.962 -1.996 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -13.408 -15.946 -3.403 1.00 0.00 H new ATOM 1022 N ASP A 68 -10.220 -16.392 -1.138 1.00 0.00 N ATOM 1023 CA ASP A 68 -8.862 -15.944 -1.427 1.00 0.00 C ATOM 1024 C ASP A 68 -8.876 -14.631 -2.204 1.00 0.00 C ATOM 1025 O ASP A 68 -8.108 -14.447 -3.148 1.00 0.00 O ATOM 1026 CB ASP A 68 -8.107 -17.012 -2.220 1.00 0.00 C ATOM 1027 CG ASP A 68 -7.689 -18.186 -1.357 1.00 0.00 C ATOM 1028 OD1 ASP A 68 -7.338 -17.962 -0.179 1.00 0.00 O ATOM 1029 OD2 ASP A 68 -7.712 -19.329 -1.859 1.00 0.00 O ATOM 0 H ASP A 68 -10.328 -16.860 -0.238 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.352 -15.778 -0.478 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.738 -17.370 -3.034 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -7.222 -16.566 -2.674 1.00 0.00 H new ATOM 1034 N LYS A 69 -9.756 -13.721 -1.801 1.00 0.00 N ATOM 1035 CA LYS A 69 -9.872 -12.424 -2.458 1.00 0.00 C ATOM 1036 C LYS A 69 -8.869 -11.430 -1.880 1.00 0.00 C ATOM 1037 O LYS A 69 -8.141 -11.744 -0.939 1.00 0.00 O ATOM 1038 CB LYS A 69 -11.293 -11.878 -2.306 1.00 0.00 C ATOM 1039 CG LYS A 69 -12.306 -12.559 -3.210 1.00 0.00 C ATOM 1040 CD LYS A 69 -12.103 -12.173 -4.665 1.00 0.00 C ATOM 1041 CE LYS A 69 -12.534 -13.291 -5.603 1.00 0.00 C ATOM 1042 NZ LYS A 69 -11.447 -14.286 -5.816 1.00 0.00 N ATOM 0 H LYS A 69 -10.400 -13.858 -1.022 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.653 -12.560 -3.517 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -11.609 -11.993 -1.269 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -11.288 -10.809 -2.521 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -12.220 -13.640 -3.104 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.314 -12.287 -2.898 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.673 -11.271 -4.886 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.053 -11.937 -4.837 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.410 -13.793 -5.192 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.831 -12.866 -6.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.529 -14.691 -6.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.524 -13.818 -5.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.528 -15.045 -5.110 1.00 0.00 H new ATOM 1056 N PHE A 70 -8.839 -10.230 -2.449 1.00 0.00 N ATOM 1057 CA PHE A 70 -7.926 -9.189 -1.990 1.00 0.00 C ATOM 1058 C PHE A 70 -8.693 -7.942 -1.562 1.00 0.00 C ATOM 1059 O PHE A 70 -9.107 -7.136 -2.396 1.00 0.00 O ATOM 1060 CB PHE A 70 -6.927 -8.834 -3.094 1.00 0.00 C ATOM 1061 CG PHE A 70 -5.898 -9.900 -3.338 1.00 0.00 C ATOM 1062 CD1 PHE A 70 -4.726 -9.931 -2.600 1.00 0.00 C ATOM 1063 CD2 PHE A 70 -6.103 -10.871 -4.304 1.00 0.00 C ATOM 1064 CE1 PHE A 70 -3.777 -10.911 -2.823 1.00 0.00 C ATOM 1065 CE2 PHE A 70 -5.158 -11.854 -4.531 1.00 0.00 C ATOM 1066 CZ PHE A 70 -3.993 -11.874 -3.789 1.00 0.00 C ATOM 0 H PHE A 70 -9.436 -9.954 -3.229 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.382 -9.573 -1.127 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.472 -8.648 -4.020 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.421 -7.906 -2.830 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.552 -9.181 -1.842 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.012 -10.860 -4.887 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.867 -10.924 -2.242 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.330 -12.605 -5.287 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.253 -12.641 -3.964 1.00 0.00 H new ATOM 1076 N THR A 71 -8.881 -7.790 -0.254 1.00 0.00 N ATOM 1077 CA THR A 71 -9.600 -6.643 0.286 1.00 0.00 C ATOM 1078 C THR A 71 -8.794 -5.955 1.382 1.00 0.00 C ATOM 1079 O THR A 71 -7.917 -6.563 1.996 1.00 0.00 O ATOM 1080 CB THR A 71 -10.971 -7.056 0.855 1.00 0.00 C ATOM 1081 OG1 THR A 71 -11.708 -5.894 1.248 1.00 0.00 O ATOM 1082 CG2 THR A 71 -10.804 -7.985 2.048 1.00 0.00 C ATOM 0 H THR A 71 -8.545 -8.447 0.450 1.00 0.00 H new ATOM 0 HA THR A 71 -9.752 -5.948 -0.540 1.00 0.00 H new ATOM 0 HB THR A 71 -11.519 -7.586 0.076 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.487 -5.787 0.662 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.785 -8.263 2.433 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.268 -8.882 1.738 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.239 -7.476 2.829 1.00 0.00 H new ATOM 1090 N VAL A 72 -9.097 -4.684 1.624 1.00 0.00 N ATOM 1091 CA VAL A 72 -8.402 -3.914 2.648 1.00 0.00 C ATOM 1092 C VAL A 72 -9.208 -3.866 3.941 1.00 0.00 C ATOM 1093 O VAL A 72 -10.433 -3.748 3.917 1.00 0.00 O ATOM 1094 CB VAL A 72 -8.124 -2.474 2.176 1.00 0.00 C ATOM 1095 CG1 VAL A 72 -7.612 -1.623 3.328 1.00 0.00 C ATOM 1096 CG2 VAL A 72 -7.134 -2.475 1.021 1.00 0.00 C ATOM 0 H VAL A 72 -9.820 -4.166 1.125 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.453 -4.418 2.833 1.00 0.00 H new ATOM 0 HB VAL A 72 -9.059 -2.039 1.823 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.421 -0.610 2.975 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.359 -1.596 4.121 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.688 -2.052 3.715 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.949 -1.450 0.700 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.197 -2.929 1.345 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -7.546 -3.047 0.189 1.00 0.00 H new ATOM 1106 N GLN A 73 -8.511 -3.957 5.070 1.00 0.00 N ATOM 1107 CA GLN A 73 -9.163 -3.925 6.374 1.00 0.00 C ATOM 1108 C GLN A 73 -9.169 -2.510 6.944 1.00 0.00 C ATOM 1109 O GLN A 73 -8.203 -2.080 7.573 1.00 0.00 O ATOM 1110 CB GLN A 73 -8.458 -4.875 7.343 1.00 0.00 C ATOM 1111 CG GLN A 73 -8.973 -6.304 7.277 1.00 0.00 C ATOM 1112 CD GLN A 73 -8.989 -6.853 5.864 1.00 0.00 C ATOM 1113 OE1 GLN A 73 -8.203 -6.434 5.014 1.00 0.00 O ATOM 1114 NE2 GLN A 73 -9.887 -7.797 5.606 1.00 0.00 N ATOM 0 H GLN A 73 -7.496 -4.053 5.108 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.195 -4.250 6.245 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -7.389 -4.872 7.128 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.580 -4.500 8.359 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -8.348 -6.941 7.903 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -9.981 -6.342 7.689 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -10.519 -8.114 6.341 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.945 -8.205 4.673 1.00 0.00 H new ATOM 1123 N ALA A 74 -10.264 -1.791 6.719 1.00 0.00 N ATOM 1124 CA ALA A 74 -10.396 -0.426 7.211 1.00 0.00 C ATOM 1125 C ALA A 74 -11.746 -0.215 7.890 1.00 0.00 C ATOM 1126 O ALA A 74 -12.594 -1.108 7.896 1.00 0.00 O ATOM 1127 CB ALA A 74 -10.216 0.566 6.072 1.00 0.00 C ATOM 0 H ALA A 74 -11.073 -2.132 6.199 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.615 -0.257 7.952 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.317 1.582 6.455 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.226 0.441 5.633 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.975 0.388 5.311 1.00 0.00 H new ATOM 1210 N ARG A 81 -15.891 -4.748 0.084 1.00 0.00 N ATOM 1211 CA ARG A 81 -15.677 -5.228 -1.275 1.00 0.00 C ATOM 1212 C ARG A 81 -14.582 -6.290 -1.311 1.00 0.00 C ATOM 1213 O ARG A 81 -13.768 -6.389 -0.393 1.00 0.00 O ATOM 1214 CB ARG A 81 -15.305 -4.065 -2.197 1.00 0.00 C ATOM 1215 CG ARG A 81 -16.487 -3.190 -2.581 1.00 0.00 C ATOM 1216 CD ARG A 81 -17.214 -3.739 -3.799 1.00 0.00 C ATOM 1217 NE ARG A 81 -18.632 -3.390 -3.792 1.00 0.00 N ATOM 1218 CZ ARG A 81 -19.530 -3.950 -4.595 1.00 0.00 C ATOM 1219 NH1 ARG A 81 -19.159 -4.880 -5.465 1.00 0.00 N ATOM 1220 NH2 ARG A 81 -20.803 -3.580 -4.530 1.00 0.00 N ATOM 0 HA ARG A 81 -16.606 -5.677 -1.625 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -14.552 -3.449 -1.705 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -14.849 -4.463 -3.103 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -17.180 -3.123 -1.742 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -16.140 -2.178 -2.789 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -16.749 -3.350 -4.705 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -17.107 -4.823 -3.827 1.00 0.00 H new ATOM 0 HE ARG A 81 -18.950 -2.678 -3.135 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -18.182 -5.167 -5.519 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -19.851 -5.308 -6.080 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -21.093 -2.865 -3.863 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -21.491 -4.011 -5.147 1.00 0.00 H new ATOM 1234 N PHE A 82 -14.569 -7.083 -2.377 1.00 0.00 N ATOM 1235 CA PHE A 82 -13.576 -8.139 -2.532 1.00 0.00 C ATOM 1236 C PHE A 82 -13.180 -8.303 -3.997 1.00 0.00 C ATOM 1237 O PHE A 82 -14.028 -8.538 -4.858 1.00 0.00 O ATOM 1238 CB PHE A 82 -14.118 -9.463 -1.988 1.00 0.00 C ATOM 1239 CG PHE A 82 -14.540 -9.391 -0.548 1.00 0.00 C ATOM 1240 CD1 PHE A 82 -13.614 -9.560 0.468 1.00 0.00 C ATOM 1241 CD2 PHE A 82 -15.863 -9.154 -0.211 1.00 0.00 C ATOM 1242 CE1 PHE A 82 -13.998 -9.494 1.794 1.00 0.00 C ATOM 1243 CE2 PHE A 82 -16.253 -9.086 1.113 1.00 0.00 C ATOM 1244 CZ PHE A 82 -15.320 -9.258 2.117 1.00 0.00 C ATOM 0 H PHE A 82 -15.235 -7.014 -3.146 1.00 0.00 H new ATOM 0 HA PHE A 82 -12.690 -7.856 -1.963 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -14.970 -9.774 -2.593 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -13.353 -10.232 -2.096 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -12.579 -9.746 0.221 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -16.597 -9.021 -0.992 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -13.265 -9.627 2.576 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -17.287 -8.898 1.363 1.00 0.00 H new ATOM 0 HZ PHE A 82 -15.624 -9.208 3.152 1.00 0.00 H new ATOM 1254 N PHE A 83 -11.886 -8.177 -4.271 1.00 0.00 N ATOM 1255 CA PHE A 83 -11.376 -8.309 -5.631 1.00 0.00 C ATOM 1256 C PHE A 83 -10.312 -9.400 -5.710 1.00 0.00 C ATOM 1257 O PHE A 83 -9.387 -9.441 -4.898 1.00 0.00 O ATOM 1258 CB PHE A 83 -10.795 -6.978 -6.112 1.00 0.00 C ATOM 1259 CG PHE A 83 -11.744 -5.823 -5.971 1.00 0.00 C ATOM 1260 CD1 PHE A 83 -11.782 -5.078 -4.803 1.00 0.00 C ATOM 1261 CD2 PHE A 83 -12.600 -5.482 -7.006 1.00 0.00 C ATOM 1262 CE1 PHE A 83 -12.654 -4.014 -4.669 1.00 0.00 C ATOM 1263 CE2 PHE A 83 -13.474 -4.419 -6.878 1.00 0.00 C ATOM 1264 CZ PHE A 83 -13.502 -3.685 -5.708 1.00 0.00 C ATOM 0 H PHE A 83 -11.171 -7.984 -3.569 1.00 0.00 H new ATOM 0 HA PHE A 83 -12.207 -8.590 -6.278 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -9.887 -6.763 -5.549 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -10.506 -7.074 -7.158 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -11.122 -5.332 -3.987 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -12.584 -6.053 -7.923 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -12.672 -3.441 -3.754 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -14.135 -4.162 -7.693 1.00 0.00 H new ATOM 0 HZ PHE A 83 -14.186 -2.855 -5.606 1.00 0.00 H new ATOM 1274 N THR A 84 -10.450 -10.283 -6.694 1.00 0.00 N ATOM 1275 CA THR A 84 -9.503 -11.375 -6.879 1.00 0.00 C ATOM 1276 C THR A 84 -8.149 -10.856 -7.347 1.00 0.00 C ATOM 1277 O THR A 84 -7.134 -11.543 -7.230 1.00 0.00 O ATOM 1278 CB THR A 84 -10.026 -12.405 -7.899 1.00 0.00 C ATOM 1279 OG1 THR A 84 -9.226 -13.592 -7.850 1.00 0.00 O ATOM 1280 CG2 THR A 84 -10.005 -11.830 -9.307 1.00 0.00 C ATOM 0 H THR A 84 -11.209 -10.263 -7.375 1.00 0.00 H new ATOM 0 HA THR A 84 -9.387 -11.860 -5.910 1.00 0.00 H new ATOM 0 HB THR A 84 -11.056 -12.651 -7.640 1.00 0.00 H new ATOM 0 HG1 THR A 84 -9.565 -14.242 -8.500 1.00 0.00 H new ATOM 0 HG21 THR A 84 -10.378 -12.575 -10.010 1.00 0.00 H new ATOM 0 HG22 THR A 84 -10.638 -10.943 -9.347 1.00 0.00 H new ATOM 0 HG23 THR A 84 -8.984 -11.559 -9.574 1.00 0.00 H new ATOM 1288 N LYS A 85 -8.139 -9.637 -7.878 1.00 0.00 N ATOM 1289 CA LYS A 85 -6.909 -9.023 -8.363 1.00 0.00 C ATOM 1290 C LYS A 85 -6.695 -7.655 -7.723 1.00 0.00 C ATOM 1291 O LYS A 85 -7.623 -6.850 -7.630 1.00 0.00 O ATOM 1292 CB LYS A 85 -6.949 -8.885 -9.886 1.00 0.00 C ATOM 1293 CG LYS A 85 -7.455 -10.129 -10.597 1.00 0.00 C ATOM 1294 CD LYS A 85 -6.847 -10.266 -11.982 1.00 0.00 C ATOM 1295 CE LYS A 85 -7.664 -9.519 -13.026 1.00 0.00 C ATOM 1296 NZ LYS A 85 -7.163 -9.770 -14.406 1.00 0.00 N ATOM 0 H LYS A 85 -8.970 -9.055 -7.983 1.00 0.00 H new ATOM 0 HA LYS A 85 -6.076 -9.669 -8.085 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.587 -8.041 -10.149 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.947 -8.652 -10.248 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.214 -11.011 -10.004 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -8.541 -10.086 -10.678 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.827 -9.881 -11.973 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.787 -11.320 -12.252 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.708 -9.825 -12.957 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.631 -8.450 -12.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -7.746 -9.244 -15.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -6.175 -9.455 -14.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.218 -10.787 -14.616 1.00 0.00 H new ATOM 1310 N LEU A 86 -5.468 -7.397 -7.285 1.00 0.00 N ATOM 1311 CA LEU A 86 -5.132 -6.125 -6.656 1.00 0.00 C ATOM 1312 C LEU A 86 -5.630 -4.953 -7.495 1.00 0.00 C ATOM 1313 O LEU A 86 -6.307 -4.058 -6.989 1.00 0.00 O ATOM 1314 CB LEU A 86 -3.619 -6.016 -6.456 1.00 0.00 C ATOM 1315 CG LEU A 86 -3.069 -6.605 -5.156 1.00 0.00 C ATOM 1316 CD1 LEU A 86 -3.090 -5.564 -4.047 1.00 0.00 C ATOM 1317 CD2 LEU A 86 -3.867 -7.836 -4.750 1.00 0.00 C ATOM 0 H LEU A 86 -4.689 -8.052 -7.354 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.625 -6.088 -5.685 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.126 -6.511 -7.293 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.342 -4.963 -6.500 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.035 -6.905 -5.324 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.695 -6.001 -3.130 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.475 -4.712 -4.336 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.115 -5.232 -3.879 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.462 -8.243 -3.823 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.911 -7.560 -4.600 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.800 -8.588 -5.536 1.00 0.00 H new ATOM 1329 N ASP A 87 -5.293 -4.967 -8.780 1.00 0.00 N ATOM 1330 CA ASP A 87 -5.710 -3.907 -9.691 1.00 0.00 C ATOM 1331 C ASP A 87 -7.217 -3.687 -9.615 1.00 0.00 C ATOM 1332 O ASP A 87 -7.685 -2.550 -9.552 1.00 0.00 O ATOM 1333 CB ASP A 87 -5.303 -4.250 -11.125 1.00 0.00 C ATOM 1334 CG ASP A 87 -6.215 -3.610 -12.154 1.00 0.00 C ATOM 1335 OD1 ASP A 87 -7.339 -4.117 -12.348 1.00 0.00 O ATOM 1336 OD2 ASP A 87 -5.804 -2.600 -12.764 1.00 0.00 O ATOM 0 H ASP A 87 -4.732 -5.700 -9.214 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.212 -2.985 -9.390 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.278 -3.921 -11.297 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.317 -5.332 -11.255 1.00 0.00 H new ATOM 1341 N GLN A 88 -7.972 -4.781 -9.623 1.00 0.00 N ATOM 1342 CA GLN A 88 -9.426 -4.707 -9.557 1.00 0.00 C ATOM 1343 C GLN A 88 -9.878 -4.011 -8.277 1.00 0.00 C ATOM 1344 O GLN A 88 -11.024 -3.572 -8.167 1.00 0.00 O ATOM 1345 CB GLN A 88 -10.034 -6.108 -9.631 1.00 0.00 C ATOM 1346 CG GLN A 88 -10.005 -6.711 -11.027 1.00 0.00 C ATOM 1347 CD GLN A 88 -11.081 -6.142 -11.930 1.00 0.00 C ATOM 1348 OE1 GLN A 88 -10.929 -5.055 -12.488 1.00 0.00 O ATOM 1349 NE2 GLN A 88 -12.177 -6.877 -12.080 1.00 0.00 N ATOM 0 H GLN A 88 -7.600 -5.729 -9.675 1.00 0.00 H new ATOM 0 HA GLN A 88 -9.773 -4.123 -10.409 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.495 -6.765 -8.949 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -11.066 -6.066 -9.284 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -9.028 -6.533 -11.476 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -10.130 -7.791 -10.955 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -12.261 -7.772 -11.598 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -12.935 -6.546 -12.677 1.00 0.00 H new ATOM 1358 N LEU A 89 -8.971 -3.914 -7.311 1.00 0.00 N ATOM 1359 CA LEU A 89 -9.277 -3.272 -6.037 1.00 0.00 C ATOM 1360 C LEU A 89 -8.793 -1.825 -6.027 1.00 0.00 C ATOM 1361 O LEU A 89 -9.468 -0.939 -5.503 1.00 0.00 O ATOM 1362 CB LEU A 89 -8.631 -4.045 -4.886 1.00 0.00 C ATOM 1363 CG LEU A 89 -8.721 -3.393 -3.506 1.00 0.00 C ATOM 1364 CD1 LEU A 89 -8.745 -4.453 -2.415 1.00 0.00 C ATOM 1365 CD2 LEU A 89 -7.560 -2.433 -3.293 1.00 0.00 C ATOM 0 H LEU A 89 -8.019 -4.271 -7.385 1.00 0.00 H new ATOM 0 HA LEU A 89 -10.359 -3.275 -5.907 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.094 -5.030 -4.831 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.579 -4.200 -5.124 1.00 0.00 H new ATOM 0 HG LEU A 89 -9.650 -2.826 -3.454 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.809 -3.970 -1.440 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.610 -5.101 -2.557 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -7.833 -5.048 -2.466 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.640 -1.978 -2.306 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.619 -2.978 -3.366 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.588 -1.654 -4.055 1.00 0.00 H new ATOM 1377 N ILE A 90 -7.623 -1.594 -6.611 1.00 0.00 N ATOM 1378 CA ILE A 90 -7.051 -0.254 -6.672 1.00 0.00 C ATOM 1379 C ILE A 90 -7.919 0.675 -7.514 1.00 0.00 C ATOM 1380 O ILE A 90 -8.238 1.788 -7.098 1.00 0.00 O ATOM 1381 CB ILE A 90 -5.626 -0.276 -7.255 1.00 0.00 C ATOM 1382 CG1 ILE A 90 -4.738 -1.230 -6.454 1.00 0.00 C ATOM 1383 CG2 ILE A 90 -5.035 1.126 -7.263 1.00 0.00 C ATOM 1384 CD1 ILE A 90 -4.269 -0.655 -5.136 1.00 0.00 C ATOM 0 H ILE A 90 -7.052 -2.317 -7.049 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.010 0.119 -5.649 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.676 -0.634 -8.283 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -5.288 -2.152 -6.264 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.869 -1.495 -7.055 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.028 1.094 -7.678 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.658 1.780 -7.873 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -4.995 1.510 -6.244 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -3.644 -1.386 -4.622 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -3.692 0.251 -5.319 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.133 -0.416 -4.516 1.00 0.00 H new ATOM 1396 N GLU A 91 -8.298 0.210 -8.700 1.00 0.00 N ATOM 1397 CA GLU A 91 -9.130 1.000 -9.600 1.00 0.00 C ATOM 1398 C GLU A 91 -10.457 1.359 -8.939 1.00 0.00 C ATOM 1399 O GLU A 91 -11.046 2.401 -9.228 1.00 0.00 O ATOM 1400 CB GLU A 91 -9.385 0.233 -10.900 1.00 0.00 C ATOM 1401 CG GLU A 91 -8.237 0.317 -11.892 1.00 0.00 C ATOM 1402 CD GLU A 91 -8.543 -0.389 -13.199 1.00 0.00 C ATOM 1403 OE1 GLU A 91 -9.086 0.265 -14.114 1.00 0.00 O ATOM 1404 OE2 GLU A 91 -8.239 -1.595 -13.306 1.00 0.00 O ATOM 0 H GLU A 91 -8.042 -0.709 -9.060 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.597 1.923 -9.830 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.573 -0.814 -10.663 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -10.289 0.621 -11.370 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.011 1.364 -12.093 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.344 -0.122 -11.447 1.00 0.00 H new ATOM 1411 N PHE A 92 -10.924 0.488 -8.051 1.00 0.00 N ATOM 1412 CA PHE A 92 -12.183 0.711 -7.350 1.00 0.00 C ATOM 1413 C PHE A 92 -11.989 1.664 -6.174 1.00 0.00 C ATOM 1414 O PHE A 92 -12.888 2.431 -5.828 1.00 0.00 O ATOM 1415 CB PHE A 92 -12.758 -0.618 -6.854 1.00 0.00 C ATOM 1416 CG PHE A 92 -14.127 -0.490 -6.250 1.00 0.00 C ATOM 1417 CD1 PHE A 92 -15.254 -0.463 -7.055 1.00 0.00 C ATOM 1418 CD2 PHE A 92 -14.287 -0.397 -4.877 1.00 0.00 C ATOM 1419 CE1 PHE A 92 -16.516 -0.346 -6.502 1.00 0.00 C ATOM 1420 CE2 PHE A 92 -15.545 -0.280 -4.318 1.00 0.00 C ATOM 1421 CZ PHE A 92 -16.661 -0.254 -5.132 1.00 0.00 C ATOM 0 H PHE A 92 -10.449 -0.379 -7.800 1.00 0.00 H new ATOM 0 HA PHE A 92 -12.885 1.164 -8.051 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -12.801 -1.320 -7.687 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -12.081 -1.044 -6.113 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -15.146 -0.534 -8.127 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -13.418 -0.416 -4.236 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -17.387 -0.327 -7.141 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -15.656 -0.209 -3.246 1.00 0.00 H new ATOM 0 HZ PHE A 92 -17.645 -0.162 -4.697 1.00 0.00 H new ATOM 1431 N TYR A 93 -10.810 1.609 -5.564 1.00 0.00 N ATOM 1432 CA TYR A 93 -10.498 2.465 -4.426 1.00 0.00 C ATOM 1433 C TYR A 93 -10.073 3.855 -4.889 1.00 0.00 C ATOM 1434 O TYR A 93 -10.047 4.804 -4.105 1.00 0.00 O ATOM 1435 CB TYR A 93 -9.390 1.837 -3.578 1.00 0.00 C ATOM 1436 CG TYR A 93 -9.878 0.738 -2.662 1.00 0.00 C ATOM 1437 CD1 TYR A 93 -10.983 -0.034 -2.998 1.00 0.00 C ATOM 1438 CD2 TYR A 93 -9.233 0.470 -1.461 1.00 0.00 C ATOM 1439 CE1 TYR A 93 -11.433 -1.039 -2.163 1.00 0.00 C ATOM 1440 CE2 TYR A 93 -9.674 -0.534 -0.621 1.00 0.00 C ATOM 1441 CZ TYR A 93 -10.775 -1.285 -0.976 1.00 0.00 C ATOM 1442 OH TYR A 93 -11.219 -2.286 -0.143 1.00 0.00 O ATOM 0 H TYR A 93 -10.055 0.981 -5.839 1.00 0.00 H new ATOM 0 HA TYR A 93 -11.399 2.564 -3.821 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.623 1.434 -4.239 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.918 2.615 -2.979 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -11.499 0.154 -3.928 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -8.371 1.057 -1.179 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -12.295 -1.628 -2.438 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -9.160 -0.730 0.308 1.00 0.00 H new ATOM 0 HH TYR A 93 -11.637 -2.994 -0.676 1.00 0.00 H new ATOM 1452 N LYS A 94 -9.741 3.968 -6.171 1.00 0.00 N ATOM 1453 CA LYS A 94 -9.319 5.242 -6.743 1.00 0.00 C ATOM 1454 C LYS A 94 -10.368 6.322 -6.498 1.00 0.00 C ATOM 1455 O LYS A 94 -10.034 7.485 -6.270 1.00 0.00 O ATOM 1456 CB LYS A 94 -9.067 5.091 -8.244 1.00 0.00 C ATOM 1457 CG LYS A 94 -7.682 4.563 -8.579 1.00 0.00 C ATOM 1458 CD LYS A 94 -7.306 4.859 -10.021 1.00 0.00 C ATOM 1459 CE LYS A 94 -6.108 4.033 -10.465 1.00 0.00 C ATOM 1460 NZ LYS A 94 -5.777 4.262 -11.898 1.00 0.00 N ATOM 0 H LYS A 94 -9.756 3.193 -6.834 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.393 5.543 -6.254 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -9.814 4.418 -8.663 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.204 6.059 -8.726 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -6.948 5.014 -7.911 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -7.650 3.487 -8.407 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -8.156 4.648 -10.670 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.078 5.919 -10.128 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.245 4.284 -9.848 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.317 2.975 -10.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.955 3.681 -12.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.591 3.998 -12.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -5.553 5.267 -12.046 1.00 0.00 H new ATOM 1474 N LYS A 95 -11.636 5.930 -6.546 1.00 0.00 N ATOM 1475 CA LYS A 95 -12.735 6.864 -6.327 1.00 0.00 C ATOM 1476 C LYS A 95 -12.544 7.632 -5.023 1.00 0.00 C ATOM 1477 O LYS A 95 -11.825 7.186 -4.130 1.00 0.00 O ATOM 1478 CB LYS A 95 -14.070 6.116 -6.301 1.00 0.00 C ATOM 1479 CG LYS A 95 -14.646 5.852 -7.681 1.00 0.00 C ATOM 1480 CD LYS A 95 -15.322 7.089 -8.249 1.00 0.00 C ATOM 1481 CE LYS A 95 -15.705 6.895 -9.708 1.00 0.00 C ATOM 1482 NZ LYS A 95 -16.234 8.148 -10.314 1.00 0.00 N ATOM 0 H LYS A 95 -11.929 4.971 -6.735 1.00 0.00 H new ATOM 0 HA LYS A 95 -12.742 7.578 -7.151 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -13.934 5.165 -5.785 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -14.789 6.694 -5.721 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -13.850 5.530 -8.353 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -15.366 5.036 -7.626 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -16.213 7.318 -7.665 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -14.653 7.945 -8.158 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -14.834 6.559 -10.271 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -16.456 6.109 -9.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -16.484 7.974 -11.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -17.080 8.455 -9.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -15.508 8.891 -10.264 1.00 0.00 H new ATOM 1549 N LEU A 100 -9.667 5.200 2.572 1.00 0.00 N ATOM 1550 CA LEU A 100 -8.250 5.431 2.830 1.00 0.00 C ATOM 1551 C LEU A 100 -8.001 6.878 3.243 1.00 0.00 C ATOM 1552 O LEU A 100 -8.867 7.739 3.082 1.00 0.00 O ATOM 1553 CB LEU A 100 -7.424 5.094 1.588 1.00 0.00 C ATOM 1554 CG LEU A 100 -7.530 3.655 1.082 1.00 0.00 C ATOM 1555 CD1 LEU A 100 -6.877 3.521 -0.285 1.00 0.00 C ATOM 1556 CD2 LEU A 100 -6.896 2.692 2.075 1.00 0.00 C ATOM 0 HA LEU A 100 -7.944 4.781 3.650 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.725 5.764 0.783 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.377 5.306 1.804 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.586 3.401 0.984 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -6.962 2.490 -0.629 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -7.376 4.182 -0.993 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.824 3.794 -0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -6.981 1.673 1.698 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -5.844 2.944 2.205 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.409 2.768 3.034 1.00 0.00 H new ATOM 1568 N VAL A 101 -6.811 7.140 3.775 1.00 0.00 N ATOM 1569 CA VAL A 101 -6.446 8.484 4.208 1.00 0.00 C ATOM 1570 C VAL A 101 -6.771 9.515 3.133 1.00 0.00 C ATOM 1571 O VAL A 101 -7.064 10.673 3.434 1.00 0.00 O ATOM 1572 CB VAL A 101 -4.948 8.574 4.555 1.00 0.00 C ATOM 1573 CG1 VAL A 101 -4.101 8.066 3.398 1.00 0.00 C ATOM 1574 CG2 VAL A 101 -4.571 10.003 4.915 1.00 0.00 C ATOM 0 H VAL A 101 -6.083 6.439 3.916 1.00 0.00 H new ATOM 0 HA VAL A 101 -7.032 8.699 5.102 1.00 0.00 H new ATOM 0 HB VAL A 101 -4.754 7.941 5.421 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -3.046 8.137 3.661 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.354 7.026 3.191 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -4.296 8.670 2.512 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -3.509 10.049 5.158 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -4.779 10.658 4.069 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -5.154 10.327 5.777 1.00 0.00 H new ATOM 1584 N THR A 102 -6.718 9.087 1.875 1.00 0.00 N ATOM 1585 CA THR A 102 -7.006 9.973 0.754 1.00 0.00 C ATOM 1586 C THR A 102 -7.182 9.184 -0.539 1.00 0.00 C ATOM 1587 O THR A 102 -6.646 8.085 -0.685 1.00 0.00 O ATOM 1588 CB THR A 102 -5.887 11.014 0.559 1.00 0.00 C ATOM 1589 OG1 THR A 102 -6.350 12.079 -0.278 1.00 0.00 O ATOM 1590 CG2 THR A 102 -4.655 10.373 -0.063 1.00 0.00 C ATOM 0 H THR A 102 -6.478 8.132 1.607 1.00 0.00 H new ATOM 0 HA THR A 102 -7.936 10.490 0.990 1.00 0.00 H new ATOM 0 HB THR A 102 -5.616 11.412 1.537 1.00 0.00 H new ATOM 0 HG1 THR A 102 -5.634 12.737 -0.396 1.00 0.00 H new ATOM 0 HG21 THR A 102 -3.878 11.127 -0.191 1.00 0.00 H new ATOM 0 HG22 THR A 102 -4.288 9.581 0.590 1.00 0.00 H new ATOM 0 HG23 THR A 102 -4.915 9.951 -1.034 1.00 0.00 H new ATOM 1598 N HIS A 103 -7.935 9.752 -1.475 1.00 0.00 N ATOM 1599 CA HIS A 103 -8.181 9.101 -2.757 1.00 0.00 C ATOM 1600 C HIS A 103 -6.911 9.072 -3.603 1.00 0.00 C ATOM 1601 O HIS A 103 -6.188 10.065 -3.691 1.00 0.00 O ATOM 1602 CB HIS A 103 -9.295 9.824 -3.514 1.00 0.00 C ATOM 1603 CG HIS A 103 -8.815 10.997 -4.312 1.00 0.00 C ATOM 1604 ND1 HIS A 103 -8.457 12.200 -3.741 1.00 0.00 N ATOM 1605 CD2 HIS A 103 -8.633 11.146 -5.645 1.00 0.00 C ATOM 1606 CE1 HIS A 103 -8.077 13.038 -4.689 1.00 0.00 C ATOM 1607 NE2 HIS A 103 -8.174 12.423 -5.853 1.00 0.00 N ATOM 0 H HIS A 103 -8.385 10.661 -1.370 1.00 0.00 H new ATOM 0 HA HIS A 103 -8.491 8.074 -2.562 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -9.786 9.117 -4.183 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -10.046 10.163 -2.801 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -8.815 10.399 -6.404 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -7.744 14.054 -4.537 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -7.945 12.830 -6.760 1.00 0.00 H new ATOM 1616 N LEU A 104 -6.646 7.928 -4.224 1.00 0.00 N ATOM 1617 CA LEU A 104 -5.463 7.768 -5.063 1.00 0.00 C ATOM 1618 C LEU A 104 -5.458 8.789 -6.196 1.00 0.00 C ATOM 1619 O LEU A 104 -6.390 8.843 -6.999 1.00 0.00 O ATOM 1620 CB LEU A 104 -5.408 6.351 -5.636 1.00 0.00 C ATOM 1621 CG LEU A 104 -5.625 5.214 -4.637 1.00 0.00 C ATOM 1622 CD1 LEU A 104 -5.527 3.866 -5.334 1.00 0.00 C ATOM 1623 CD2 LEU A 104 -4.617 5.303 -3.500 1.00 0.00 C ATOM 0 H LEU A 104 -7.234 7.097 -4.162 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.582 7.936 -4.444 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -6.161 6.268 -6.420 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.437 6.210 -6.111 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.626 5.311 -4.217 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.684 3.069 -4.608 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.287 3.803 -6.112 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.539 3.759 -5.782 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.786 4.486 -2.799 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.607 5.232 -3.903 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.735 6.255 -2.983 1.00 0.00 H new ATOM 1635 N GLN A 105 -4.403 9.594 -6.256 1.00 0.00 N ATOM 1636 CA GLN A 105 -4.276 10.611 -7.293 1.00 0.00 C ATOM 1637 C GLN A 105 -3.288 10.173 -8.369 1.00 0.00 C ATOM 1638 O GLN A 105 -3.617 10.146 -9.555 1.00 0.00 O ATOM 1639 CB GLN A 105 -3.827 11.940 -6.682 1.00 0.00 C ATOM 1640 CG GLN A 105 -4.716 12.418 -5.545 1.00 0.00 C ATOM 1641 CD GLN A 105 -4.229 13.715 -4.930 1.00 0.00 C ATOM 1642 OE1 GLN A 105 -3.198 14.257 -5.330 1.00 0.00 O ATOM 1643 NE2 GLN A 105 -4.970 14.221 -3.951 1.00 0.00 N ATOM 0 H GLN A 105 -3.624 9.562 -5.599 1.00 0.00 H new ATOM 0 HA GLN A 105 -5.254 10.744 -7.757 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -2.806 11.835 -6.314 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -3.808 12.701 -7.462 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -5.732 12.555 -5.916 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -4.759 11.648 -4.774 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -5.817 13.739 -3.651 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -4.692 15.092 -3.499 1.00 0.00 H new ATOM 1652 N TYR A 106 -2.076 9.830 -7.947 1.00 0.00 N ATOM 1653 CA TYR A 106 -1.039 9.395 -8.874 1.00 0.00 C ATOM 1654 C TYR A 106 -0.419 8.077 -8.420 1.00 0.00 C ATOM 1655 O TYR A 106 0.095 7.954 -7.308 1.00 0.00 O ATOM 1656 CB TYR A 106 0.046 10.466 -8.997 1.00 0.00 C ATOM 1657 CG TYR A 106 -0.476 11.877 -8.848 1.00 0.00 C ATOM 1658 CD1 TYR A 106 -0.650 12.445 -7.592 1.00 0.00 C ATOM 1659 CD2 TYR A 106 -0.797 12.642 -9.963 1.00 0.00 C ATOM 1660 CE1 TYR A 106 -1.128 13.734 -7.451 1.00 0.00 C ATOM 1661 CE2 TYR A 106 -1.274 13.932 -9.831 1.00 0.00 C ATOM 1662 CZ TYR A 106 -1.438 14.473 -8.573 1.00 0.00 C ATOM 1663 OH TYR A 106 -1.914 15.757 -8.438 1.00 0.00 O ATOM 0 H TYR A 106 -1.788 9.845 -6.969 1.00 0.00 H new ATOM 0 HA TYR A 106 -1.501 9.241 -9.849 1.00 0.00 H new ATOM 0 HB2 TYR A 106 0.808 10.288 -8.239 1.00 0.00 H new ATOM 0 HB3 TYR A 106 0.533 10.368 -9.967 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -0.408 11.869 -6.711 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -0.671 12.221 -10.950 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -1.258 14.160 -6.467 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -1.517 14.513 -10.708 1.00 0.00 H new ATOM 0 HH TYR A 106 -2.082 16.139 -9.325 1.00 0.00 H new ATOM 1673 N PRO A 107 -0.467 7.067 -9.301 1.00 0.00 N ATOM 1674 CA PRO A 107 0.086 5.740 -9.014 1.00 0.00 C ATOM 1675 C PRO A 107 1.610 5.747 -8.956 1.00 0.00 C ATOM 1676 O PRO A 107 2.279 5.368 -9.917 1.00 0.00 O ATOM 1677 CB PRO A 107 -0.401 4.891 -10.191 1.00 0.00 C ATOM 1678 CG PRO A 107 -0.614 5.865 -11.298 1.00 0.00 C ATOM 1679 CD PRO A 107 -1.064 7.143 -10.645 1.00 0.00 C ATOM 0 HA PRO A 107 -0.233 5.367 -8.041 1.00 0.00 H new ATOM 0 HB2 PRO A 107 0.335 4.135 -10.465 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -1.323 4.364 -9.944 1.00 0.00 H new ATOM 0 HG2 PRO A 107 0.304 6.019 -11.865 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -1.364 5.500 -12.000 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -0.714 8.019 -11.192 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -2.151 7.210 -10.599 1.00 0.00 H new ATOM 1687 N VAL A 108 2.153 6.180 -7.823 1.00 0.00 N ATOM 1688 CA VAL A 108 3.598 6.234 -7.639 1.00 0.00 C ATOM 1689 C VAL A 108 4.292 5.114 -8.407 1.00 0.00 C ATOM 1690 O VAL A 108 4.411 3.984 -7.933 1.00 0.00 O ATOM 1691 CB VAL A 108 3.979 6.133 -6.150 1.00 0.00 C ATOM 1692 CG1 VAL A 108 5.474 5.904 -5.996 1.00 0.00 C ATOM 1693 CG2 VAL A 108 3.544 7.385 -5.404 1.00 0.00 C ATOM 0 H VAL A 108 1.613 6.499 -7.018 1.00 0.00 H new ATOM 0 HA VAL A 108 3.930 7.197 -8.027 1.00 0.00 H new ATOM 0 HB VAL A 108 3.458 5.279 -5.716 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.724 5.835 -4.937 1.00 0.00 H new ATOM 0 HG12 VAL A 108 5.753 4.977 -6.496 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.018 6.736 -6.444 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.821 7.297 -4.353 1.00 0.00 H new ATOM 0 HG22 VAL A 108 4.036 8.256 -5.837 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.463 7.500 -5.486 1.00 0.00 H new ATOM 1703 N PRO A 109 4.762 5.433 -9.622 1.00 0.00 N ATOM 1704 CA PRO A 109 5.454 4.468 -10.481 1.00 0.00 C ATOM 1705 C PRO A 109 6.829 4.091 -9.940 1.00 0.00 C ATOM 1706 O PRO A 109 7.484 4.891 -9.269 1.00 0.00 O ATOM 1707 CB PRO A 109 5.589 5.211 -11.812 1.00 0.00 C ATOM 1708 CG PRO A 109 5.562 6.655 -11.445 1.00 0.00 C ATOM 1709 CD PRO A 109 4.656 6.761 -10.250 1.00 0.00 C ATOM 0 HA PRO A 109 4.910 3.526 -10.556 1.00 0.00 H new ATOM 0 HB2 PRO A 109 6.518 4.949 -12.319 1.00 0.00 H new ATOM 0 HB3 PRO A 109 4.773 4.960 -12.490 1.00 0.00 H new ATOM 0 HG2 PRO A 109 6.563 7.017 -11.209 1.00 0.00 H new ATOM 0 HG3 PRO A 109 5.191 7.261 -12.271 1.00 0.00 H new ATOM 0 HD2 PRO A 109 4.976 7.553 -9.572 1.00 0.00 H new ATOM 0 HD3 PRO A 109 3.630 6.987 -10.542 1.00 0.00 H new ATOM 1717 N LEU A 110 7.262 2.871 -10.235 1.00 0.00 N ATOM 1718 CA LEU A 110 8.560 2.388 -9.779 1.00 0.00 C ATOM 1719 C LEU A 110 9.659 3.398 -10.095 1.00 0.00 C ATOM 1720 O LEU A 110 9.480 4.281 -10.932 1.00 0.00 O ATOM 1721 CB LEU A 110 8.885 1.043 -10.432 1.00 0.00 C ATOM 1722 CG LEU A 110 7.925 -0.105 -10.117 1.00 0.00 C ATOM 1723 CD1 LEU A 110 8.396 -1.391 -10.778 1.00 0.00 C ATOM 1724 CD2 LEU A 110 7.794 -0.293 -8.612 1.00 0.00 C ATOM 0 H LEU A 110 6.733 2.197 -10.789 1.00 0.00 H new ATOM 0 HA LEU A 110 8.511 2.258 -8.698 1.00 0.00 H new ATOM 0 HB2 LEU A 110 8.910 1.183 -11.513 1.00 0.00 H new ATOM 0 HB3 LEU A 110 9.888 0.746 -10.126 1.00 0.00 H new ATOM 0 HG LEU A 110 6.943 0.147 -10.518 1.00 0.00 H new ATOM 0 HD11 LEU A 110 7.701 -2.197 -10.543 1.00 0.00 H new ATOM 0 HD12 LEU A 110 8.437 -1.251 -11.858 1.00 0.00 H new ATOM 0 HD13 LEU A 110 9.388 -1.648 -10.407 1.00 0.00 H new ATOM 0 HD21 LEU A 110 7.107 -1.114 -8.406 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.771 -0.523 -8.188 1.00 0.00 H new ATOM 0 HD23 LEU A 110 7.410 0.623 -8.163 1.00 0.00 H new