USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 678 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0492 USER MOD Single : A 8 GLN : amide:sc= -0.464 K(o=-0.46,f=-3.3!) USER MOD Single : A 9 LYS NZ :NH3+ 168:sc= -0.0191 (180deg=-0.247) USER MOD Single : A 11 SER OG : rot 180:sc= -0.268 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.809 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl -121:sc= -2.43! (180deg=-5.23!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -4.06! C(o=-4.1!,f=-5.1!) USER MOD Single : A 27 THR OG1 : rot -41:sc= 0.212 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0841 USER MOD Single : A 35 LYS NZ :NH3+ -128:sc= -0.0175 (180deg=-2.06) USER MOD Single : A 42 ASN : amide:sc= -0.0268 X(o=-0.027,f=-0.16!) USER MOD Single : A 46 THR OG1 : rot -159:sc= -6.12! USER MOD Single : A 63 GLN :FLIP amide:sc= 0.889 F(o=-0.9,f=0.89) USER MOD Single : A 64 SER OG : rot -120:sc= -3.38! USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -142:sc= 1.29 (180deg=-0.48) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -170:sc= 0.129 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0.037) USER MOD Single : A 76 ASN : amide:sc= -0.932 X(o=-0.93,f=-0.97) USER MOD Single : A 77 SER OG : rot -56:sc= 0.298 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= 0.0728 X(o=0.073,f=0) USER MOD Single : A 91 ASN : amide:sc= -8.87! C(o=-8.9!,f=-8.6!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 MET CE :methyl 179:sc= -1.5 (180deg=-1.51) USER MOD Single : A 102 LYS NZ :NH3+ -161:sc= -0.0912 (180deg=-0.494) USER MOD ----------------------------------------------------------------- ATOM 74 N ILE A 5 -3.685 -17.984 1.542 1.00 0.00 N ATOM 75 CA ILE A 5 -4.630 -17.935 2.652 1.00 0.00 C ATOM 76 C ILE A 5 -5.883 -18.751 2.351 1.00 0.00 C ATOM 77 O ILE A 5 -6.524 -18.570 1.317 1.00 0.00 O ATOM 78 CB ILE A 5 -5.040 -16.483 2.981 1.00 0.00 C ATOM 79 CG1 ILE A 5 -6.058 -16.453 4.126 1.00 0.00 C ATOM 80 CG2 ILE A 5 -5.610 -15.797 1.749 1.00 0.00 C ATOM 81 CD1 ILE A 5 -5.524 -17.006 5.430 1.00 0.00 C ATOM 0 HA ILE A 5 -4.122 -18.365 3.515 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.149 -15.942 3.299 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.384 -15.425 4.284 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.938 -17.025 3.833 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.893 -14.775 2.000 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -4.858 -15.782 0.960 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.488 -16.342 1.402 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.300 -16.952 6.193 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.225 -18.045 5.289 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.662 -16.420 5.748 1.00 0.00 H new ATOM 93 N THR A 6 -6.230 -19.644 3.272 1.00 0.00 N ATOM 94 CA THR A 6 -7.412 -20.481 3.118 1.00 0.00 C ATOM 95 C THR A 6 -8.659 -19.711 3.536 1.00 0.00 C ATOM 96 O THR A 6 -8.570 -18.722 4.264 1.00 0.00 O ATOM 97 CB THR A 6 -7.277 -21.755 3.952 1.00 0.00 C ATOM 98 OG1 THR A 6 -6.596 -21.490 5.166 1.00 0.00 O ATOM 99 CG2 THR A 6 -6.528 -22.860 3.239 1.00 0.00 C ATOM 0 H THR A 6 -5.708 -19.806 4.133 1.00 0.00 H new ATOM 0 HA THR A 6 -7.505 -20.761 2.069 1.00 0.00 H new ATOM 0 HB THR A 6 -8.298 -22.089 4.136 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.521 -22.317 5.686 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.468 -23.735 3.886 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.054 -23.123 2.321 1.00 0.00 H new ATOM 0 HG23 THR A 6 -5.522 -22.519 2.995 1.00 0.00 H new ATOM 107 N ALA A 7 -9.819 -20.161 3.075 1.00 0.00 N ATOM 108 CA ALA A 7 -11.072 -19.498 3.409 1.00 0.00 C ATOM 109 C ALA A 7 -11.063 -18.055 2.912 1.00 0.00 C ATOM 110 O ALA A 7 -10.259 -17.692 2.054 1.00 0.00 O ATOM 111 CB ALA A 7 -11.308 -19.546 4.912 1.00 0.00 C ATOM 0 H ALA A 7 -9.918 -20.978 2.472 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.888 -20.024 2.913 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -12.248 -19.047 5.149 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -11.356 -20.584 5.240 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.490 -19.041 5.425 1.00 0.00 H new ATOM 117 N GLN A 8 -11.958 -17.236 3.452 1.00 0.00 N ATOM 118 CA GLN A 8 -12.043 -15.835 3.056 1.00 0.00 C ATOM 119 C GLN A 8 -11.920 -14.913 4.261 1.00 0.00 C ATOM 120 O GLN A 8 -12.889 -14.677 4.982 1.00 0.00 O ATOM 121 CB GLN A 8 -13.358 -15.567 2.323 1.00 0.00 C ATOM 122 CG GLN A 8 -13.502 -16.350 1.028 1.00 0.00 C ATOM 123 CD GLN A 8 -12.662 -15.777 -0.096 1.00 0.00 C ATOM 124 OE1 GLN A 8 -11.453 -15.598 0.046 1.00 0.00 O ATOM 125 NE2 GLN A 8 -13.300 -15.487 -1.223 1.00 0.00 N ATOM 0 H GLN A 8 -12.633 -17.517 4.163 1.00 0.00 H new ATOM 0 HA GLN A 8 -11.211 -15.628 2.383 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.189 -15.815 2.983 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.432 -14.502 2.104 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.213 -17.387 1.201 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -14.549 -16.357 0.727 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -14.304 -15.651 -1.298 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -12.786 -15.100 -2.015 1.00 0.00 H new ATOM 134 N LYS A 9 -10.718 -14.392 4.461 1.00 0.00 N ATOM 135 CA LYS A 9 -10.445 -13.485 5.565 1.00 0.00 C ATOM 136 C LYS A 9 -9.327 -12.522 5.184 1.00 0.00 C ATOM 137 O LYS A 9 -8.384 -12.904 4.490 1.00 0.00 O ATOM 138 CB LYS A 9 -10.057 -14.270 6.820 1.00 0.00 C ATOM 139 CG LYS A 9 -8.818 -15.132 6.639 1.00 0.00 C ATOM 140 CD LYS A 9 -9.183 -16.586 6.383 1.00 0.00 C ATOM 141 CE LYS A 9 -9.240 -17.383 7.676 1.00 0.00 C ATOM 142 NZ LYS A 9 -10.566 -17.262 8.345 1.00 0.00 N ATOM 0 H LYS A 9 -9.911 -14.584 3.868 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.349 -12.915 5.779 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.886 -13.570 7.638 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.892 -14.906 7.114 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.228 -14.752 5.805 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.193 -15.064 7.529 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.149 -16.636 5.881 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.450 -17.033 5.711 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.034 -18.432 7.465 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.459 -17.035 8.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -10.638 -17.970 9.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.665 -16.309 8.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.322 -17.423 7.649 1.00 0.00 H new ATOM 156 N PRO A 10 -9.413 -11.256 5.622 1.00 0.00 N ATOM 157 CA PRO A 10 -8.396 -10.249 5.309 1.00 0.00 C ATOM 158 C PRO A 10 -7.067 -10.535 5.999 1.00 0.00 C ATOM 159 O PRO A 10 -6.581 -9.726 6.791 1.00 0.00 O ATOM 160 CB PRO A 10 -9.007 -8.949 5.836 1.00 0.00 C ATOM 161 CG PRO A 10 -9.960 -9.379 6.896 1.00 0.00 C ATOM 162 CD PRO A 10 -10.503 -10.708 6.449 1.00 0.00 C ATOM 0 HA PRO A 10 -8.162 -10.222 4.245 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.241 -8.286 6.238 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -9.517 -8.402 5.043 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.458 -9.466 7.860 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.762 -8.651 7.019 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.731 -11.355 7.296 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.424 -10.595 5.878 1.00 0.00 H new ATOM 170 N SER A 11 -6.478 -11.690 5.698 1.00 0.00 N ATOM 171 CA SER A 11 -5.204 -12.068 6.297 1.00 0.00 C ATOM 172 C SER A 11 -4.440 -13.030 5.396 1.00 0.00 C ATOM 173 O SER A 11 -4.795 -14.202 5.277 1.00 0.00 O ATOM 174 CB SER A 11 -5.431 -12.707 7.669 1.00 0.00 C ATOM 175 OG SER A 11 -6.332 -11.938 8.447 1.00 0.00 O ATOM 0 H SER A 11 -6.861 -12.375 5.047 1.00 0.00 H new ATOM 0 HA SER A 11 -4.608 -11.164 6.418 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.824 -13.716 7.543 1.00 0.00 H new ATOM 0 HB3 SER A 11 -4.480 -12.798 8.193 1.00 0.00 H new ATOM 0 HG SER A 11 -6.461 -12.368 9.318 1.00 0.00 H new ATOM 181 N LEU A 12 -3.385 -12.526 4.764 1.00 0.00 N ATOM 182 CA LEU A 12 -2.568 -13.337 3.876 1.00 0.00 C ATOM 183 C LEU A 12 -1.107 -12.918 3.971 1.00 0.00 C ATOM 184 O LEU A 12 -0.792 -11.729 3.927 1.00 0.00 O ATOM 185 CB LEU A 12 -3.063 -13.202 2.436 1.00 0.00 C ATOM 186 CG LEU A 12 -2.216 -13.906 1.371 1.00 0.00 C ATOM 187 CD1 LEU A 12 -1.703 -15.244 1.882 1.00 0.00 C ATOM 188 CD2 LEU A 12 -3.019 -14.094 0.092 1.00 0.00 C ATOM 0 H LEU A 12 -3.077 -11.558 4.852 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.651 -14.380 4.180 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.079 -13.594 2.383 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.117 -12.142 2.188 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.354 -13.276 1.150 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.105 -15.724 1.108 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.089 -15.084 2.768 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.548 -15.884 2.137 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.403 -14.595 -0.654 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.900 -14.700 0.302 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.330 -13.121 -0.289 1.00 0.00 H new ATOM 200 N THR A 13 -0.219 -13.894 4.115 1.00 0.00 N ATOM 201 CA THR A 13 1.203 -13.606 4.231 1.00 0.00 C ATOM 202 C THR A 13 1.908 -13.683 2.881 1.00 0.00 C ATOM 203 O THR A 13 2.035 -14.753 2.290 1.00 0.00 O ATOM 204 CB THR A 13 1.860 -14.577 5.212 1.00 0.00 C ATOM 205 OG1 THR A 13 1.063 -14.736 6.372 1.00 0.00 O ATOM 206 CG2 THR A 13 3.238 -14.135 5.658 1.00 0.00 C ATOM 0 H THR A 13 -0.457 -14.885 4.154 1.00 0.00 H new ATOM 0 HA THR A 13 1.301 -12.586 4.604 1.00 0.00 H new ATOM 0 HB THR A 13 1.955 -15.517 4.668 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.500 -15.362 6.986 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.648 -14.868 6.353 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.892 -14.052 4.790 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.167 -13.166 6.153 1.00 0.00 H new ATOM 214 N LEU A 14 2.393 -12.536 2.425 1.00 0.00 N ATOM 215 CA LEU A 14 3.126 -12.437 1.168 1.00 0.00 C ATOM 216 C LEU A 14 4.281 -11.473 1.349 1.00 0.00 C ATOM 217 O LEU A 14 4.393 -10.840 2.395 1.00 0.00 O ATOM 218 CB LEU A 14 2.230 -11.960 0.032 1.00 0.00 C ATOM 219 CG LEU A 14 0.912 -12.717 -0.126 1.00 0.00 C ATOM 220 CD1 LEU A 14 0.132 -12.187 -1.319 1.00 0.00 C ATOM 221 CD2 LEU A 14 1.153 -14.212 -0.267 1.00 0.00 C ATOM 0 H LEU A 14 2.290 -11.647 2.915 1.00 0.00 H new ATOM 0 HA LEU A 14 3.495 -13.428 0.903 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.007 -10.904 0.187 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.786 -12.034 -0.902 1.00 0.00 H new ATOM 0 HG LEU A 14 0.320 -12.555 0.775 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.804 -12.738 -1.416 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.084 -11.129 -1.172 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.723 -12.314 -2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.198 -14.726 -0.378 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.770 -14.400 -1.146 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.664 -14.584 0.621 1.00 0.00 H new ATOM 233 N TRP A 15 5.150 -11.361 0.355 1.00 0.00 N ATOM 234 CA TRP A 15 6.288 -10.467 0.486 1.00 0.00 C ATOM 235 C TRP A 15 6.132 -9.191 -0.331 1.00 0.00 C ATOM 236 O TRP A 15 5.524 -9.173 -1.401 1.00 0.00 O ATOM 237 CB TRP A 15 7.592 -11.212 0.162 1.00 0.00 C ATOM 238 CG TRP A 15 8.133 -11.040 -1.230 1.00 0.00 C ATOM 239 CD1 TRP A 15 7.446 -10.754 -2.380 1.00 0.00 C ATOM 240 CD2 TRP A 15 9.506 -11.175 -1.612 1.00 0.00 C ATOM 241 NE1 TRP A 15 8.321 -10.691 -3.440 1.00 0.00 N ATOM 242 CE2 TRP A 15 9.583 -10.948 -2.995 1.00 0.00 C ATOM 243 CE3 TRP A 15 10.679 -11.461 -0.913 1.00 0.00 C ATOM 244 CZ2 TRP A 15 10.785 -10.999 -3.695 1.00 0.00 C ATOM 245 CZ3 TRP A 15 11.870 -11.513 -1.607 1.00 0.00 C ATOM 246 CH2 TRP A 15 11.916 -11.282 -2.985 1.00 0.00 C ATOM 0 H TRP A 15 5.092 -11.865 -0.530 1.00 0.00 H new ATOM 0 HA TRP A 15 6.334 -10.141 1.525 1.00 0.00 H new ATOM 0 HB2 TRP A 15 8.356 -10.886 0.868 1.00 0.00 H new ATOM 0 HB3 TRP A 15 7.430 -12.276 0.336 1.00 0.00 H new ATOM 0 HD1 TRP A 15 6.379 -10.601 -2.445 1.00 0.00 H new ATOM 0 HE1 TRP A 15 8.066 -10.485 -4.406 1.00 0.00 H new ATOM 0 HE3 TRP A 15 10.655 -11.638 0.152 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 10.821 -10.821 -4.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 12.784 -11.736 -1.076 1.00 0.00 H new ATOM 0 HH2 TRP A 15 12.865 -11.328 -3.498 1.00 0.00 H new ATOM 257 N LEU A 16 6.682 -8.121 0.215 1.00 0.00 N ATOM 258 CA LEU A 16 6.634 -6.811 -0.415 1.00 0.00 C ATOM 259 C LEU A 16 7.933 -6.052 -0.160 1.00 0.00 C ATOM 260 O LEU A 16 8.523 -6.160 0.915 1.00 0.00 O ATOM 261 CB LEU A 16 5.443 -6.007 0.114 1.00 0.00 C ATOM 262 CG LEU A 16 5.330 -5.946 1.639 1.00 0.00 C ATOM 263 CD1 LEU A 16 5.915 -4.645 2.167 1.00 0.00 C ATOM 264 CD2 LEU A 16 3.878 -6.096 2.073 1.00 0.00 C ATOM 0 H LEU A 16 7.175 -8.134 1.108 1.00 0.00 H new ATOM 0 HA LEU A 16 6.513 -6.949 -1.489 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.511 -4.990 -0.271 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.526 -6.439 -0.286 1.00 0.00 H new ATOM 0 HG LEU A 16 5.901 -6.774 2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.825 -4.620 3.253 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.967 -4.579 1.888 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.373 -3.802 1.739 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.817 -6.050 3.160 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.284 -5.290 1.642 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.492 -7.055 1.728 1.00 0.00 H new ATOM 276 N ASP A 17 8.377 -5.289 -1.152 1.00 0.00 N ATOM 277 CA ASP A 17 9.611 -4.519 -1.028 1.00 0.00 C ATOM 278 C ASP A 17 10.784 -5.430 -0.677 1.00 0.00 C ATOM 279 O ASP A 17 11.664 -5.057 0.098 1.00 0.00 O ATOM 280 CB ASP A 17 9.455 -3.434 0.038 1.00 0.00 C ATOM 281 CG ASP A 17 8.920 -2.135 -0.533 1.00 0.00 C ATOM 282 OD1 ASP A 17 9.705 -1.395 -1.162 1.00 0.00 O ATOM 283 OD2 ASP A 17 7.716 -1.859 -0.351 1.00 0.00 O ATOM 0 H ASP A 17 7.903 -5.186 -2.049 1.00 0.00 H new ATOM 0 HA ASP A 17 9.815 -4.046 -1.989 1.00 0.00 H new ATOM 0 HB2 ASP A 17 8.782 -3.789 0.818 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.420 -3.250 0.509 1.00 0.00 H new ATOM 288 N ASP A 18 10.787 -6.629 -1.255 1.00 0.00 N ATOM 289 CA ASP A 18 11.848 -7.600 -1.010 1.00 0.00 C ATOM 290 C ASP A 18 11.878 -8.024 0.457 1.00 0.00 C ATOM 291 O ASP A 18 12.948 -8.226 1.032 1.00 0.00 O ATOM 292 CB ASP A 18 13.206 -7.022 -1.414 1.00 0.00 C ATOM 293 CG ASP A 18 13.361 -6.913 -2.919 1.00 0.00 C ATOM 294 OD1 ASP A 18 12.574 -6.172 -3.544 1.00 0.00 O ATOM 295 OD2 ASP A 18 14.270 -7.568 -3.471 1.00 0.00 O ATOM 0 H ASP A 18 10.064 -6.951 -1.898 1.00 0.00 H new ATOM 0 HA ASP A 18 11.641 -8.481 -1.618 1.00 0.00 H new ATOM 0 HB2 ASP A 18 13.326 -6.035 -0.966 1.00 0.00 H new ATOM 0 HB3 ASP A 18 14.000 -7.652 -1.014 1.00 0.00 H new ATOM 300 N LYS A 19 10.698 -8.161 1.055 1.00 0.00 N ATOM 301 CA LYS A 19 10.594 -8.566 2.453 1.00 0.00 C ATOM 302 C LYS A 19 9.231 -9.191 2.739 1.00 0.00 C ATOM 303 O LYS A 19 8.193 -8.566 2.521 1.00 0.00 O ATOM 304 CB LYS A 19 10.825 -7.365 3.373 1.00 0.00 C ATOM 305 CG LYS A 19 11.925 -7.590 4.397 1.00 0.00 C ATOM 306 CD LYS A 19 11.951 -6.486 5.441 1.00 0.00 C ATOM 307 CE LYS A 19 13.374 -6.059 5.766 1.00 0.00 C ATOM 308 NZ LYS A 19 13.786 -4.860 4.985 1.00 0.00 N ATOM 0 H LYS A 19 9.803 -7.998 0.595 1.00 0.00 H new ATOM 0 HA LYS A 19 11.363 -9.314 2.647 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.077 -6.495 2.766 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.896 -7.132 3.894 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.775 -8.552 4.887 1.00 0.00 H new ATOM 0 HG3 LYS A 19 12.890 -7.637 3.892 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.386 -5.627 5.078 1.00 0.00 H new ATOM 0 HD3 LYS A 19 11.457 -6.831 6.349 1.00 0.00 H new ATOM 0 HE2 LYS A 19 13.454 -5.843 6.831 1.00 0.00 H new ATOM 0 HE3 LYS A 19 14.057 -6.882 5.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 14.762 -4.601 5.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 13.734 -5.073 3.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 13.150 -4.067 5.205 1.00 0.00 H new ATOM 322 N MET A 20 9.242 -10.428 3.226 1.00 0.00 N ATOM 323 CA MET A 20 8.006 -11.136 3.539 1.00 0.00 C ATOM 324 C MET A 20 7.279 -10.477 4.711 1.00 0.00 C ATOM 325 O MET A 20 7.905 -10.030 5.672 1.00 0.00 O ATOM 326 CB MET A 20 8.297 -12.606 3.846 1.00 0.00 C ATOM 327 CG MET A 20 7.616 -13.573 2.884 1.00 0.00 C ATOM 328 SD MET A 20 8.764 -14.312 1.701 1.00 0.00 S ATOM 329 CE MET A 20 7.683 -14.620 0.303 1.00 0.00 C ATOM 0 H MET A 20 10.092 -10.960 3.412 1.00 0.00 H new ATOM 0 HA MET A 20 7.355 -11.085 2.667 1.00 0.00 H new ATOM 0 HB2 MET A 20 9.374 -12.770 3.812 1.00 0.00 H new ATOM 0 HB3 MET A 20 7.973 -12.828 4.863 1.00 0.00 H new ATOM 0 HG2 MET A 20 7.131 -14.365 3.455 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.832 -13.046 2.341 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.686 -15.685 0.069 1.00 0.00 H new ATOM 0 HE2 MET A 20 6.669 -14.305 0.551 1.00 0.00 H new ATOM 0 HE3 MET A 20 8.036 -14.057 -0.561 1.00 0.00 H new ATOM 339 N PHE A 21 5.954 -10.418 4.616 1.00 0.00 N ATOM 340 CA PHE A 21 5.129 -9.811 5.656 1.00 0.00 C ATOM 341 C PHE A 21 3.662 -10.202 5.481 1.00 0.00 C ATOM 342 O PHE A 21 3.318 -10.970 4.584 1.00 0.00 O ATOM 343 CB PHE A 21 5.270 -8.288 5.623 1.00 0.00 C ATOM 344 CG PHE A 21 5.200 -7.648 6.980 1.00 0.00 C ATOM 345 CD1 PHE A 21 6.190 -7.878 7.921 1.00 0.00 C ATOM 346 CD2 PHE A 21 4.144 -6.814 7.312 1.00 0.00 C ATOM 347 CE1 PHE A 21 6.129 -7.289 9.169 1.00 0.00 C ATOM 348 CE2 PHE A 21 4.077 -6.223 8.559 1.00 0.00 C ATOM 349 CZ PHE A 21 5.071 -6.460 9.489 1.00 0.00 C ATOM 0 H PHE A 21 5.426 -10.785 3.824 1.00 0.00 H new ATOM 0 HA PHE A 21 5.473 -10.180 6.622 1.00 0.00 H new ATOM 0 HB2 PHE A 21 6.221 -8.030 5.157 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.483 -7.872 4.993 1.00 0.00 H new ATOM 0 HD1 PHE A 21 7.019 -8.525 7.676 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.365 -6.624 6.588 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.907 -7.476 9.894 1.00 0.00 H new ATOM 0 HE2 PHE A 21 3.248 -5.576 8.807 1.00 0.00 H new ATOM 0 HZ PHE A 21 5.021 -5.998 10.464 1.00 0.00 H new ATOM 359 N THR A 22 2.802 -9.674 6.348 1.00 0.00 N ATOM 360 CA THR A 22 1.375 -9.977 6.286 1.00 0.00 C ATOM 361 C THR A 22 0.558 -8.739 5.921 1.00 0.00 C ATOM 362 O THR A 22 0.997 -7.607 6.124 1.00 0.00 O ATOM 363 CB THR A 22 0.896 -10.539 7.626 1.00 0.00 C ATOM 364 OG1 THR A 22 1.481 -9.831 8.704 1.00 0.00 O ATOM 365 CG2 THR A 22 1.220 -12.005 7.808 1.00 0.00 C ATOM 0 H THR A 22 3.067 -9.037 7.099 1.00 0.00 H new ATOM 0 HA THR A 22 1.226 -10.724 5.506 1.00 0.00 H new ATOM 0 HB THR A 22 -0.188 -10.421 7.619 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.161 -10.204 9.552 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.853 -12.341 8.778 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.741 -12.584 7.019 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.299 -12.148 7.759 1.00 0.00 H new ATOM 373 N GLY A 23 -0.639 -8.968 5.385 1.00 0.00 N ATOM 374 CA GLY A 23 -1.514 -7.873 5.000 1.00 0.00 C ATOM 375 C GLY A 23 -2.979 -8.246 5.122 1.00 0.00 C ATOM 376 O GLY A 23 -3.305 -9.364 5.518 1.00 0.00 O ATOM 0 H GLY A 23 -1.020 -9.898 5.210 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.307 -7.006 5.627 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.299 -7.581 3.972 1.00 0.00 H new ATOM 380 N LEU A 24 -3.869 -7.315 4.781 1.00 0.00 N ATOM 381 CA LEU A 24 -5.302 -7.574 4.860 1.00 0.00 C ATOM 382 C LEU A 24 -5.942 -7.511 3.479 1.00 0.00 C ATOM 383 O LEU A 24 -5.960 -6.460 2.838 1.00 0.00 O ATOM 384 CB LEU A 24 -5.984 -6.574 5.802 1.00 0.00 C ATOM 385 CG LEU A 24 -5.299 -5.211 5.916 1.00 0.00 C ATOM 386 CD1 LEU A 24 -5.398 -4.453 4.603 1.00 0.00 C ATOM 387 CD2 LEU A 24 -5.914 -4.400 7.049 1.00 0.00 C ATOM 0 H LEU A 24 -3.624 -6.382 4.450 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.438 -8.579 5.260 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.008 -6.420 5.462 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.041 -7.018 6.796 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.245 -5.372 6.140 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.905 -3.486 4.703 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.913 -5.027 3.814 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.447 -4.301 4.349 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.415 -3.433 7.117 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.975 -4.248 6.853 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.792 -4.938 7.989 1.00 0.00 H new ATOM 399 N ILE A 25 -6.462 -8.644 3.022 1.00 0.00 N ATOM 400 CA ILE A 25 -7.099 -8.716 1.712 1.00 0.00 C ATOM 401 C ILE A 25 -8.612 -8.680 1.831 1.00 0.00 C ATOM 402 O ILE A 25 -9.228 -9.633 2.310 1.00 0.00 O ATOM 403 CB ILE A 25 -6.714 -9.996 0.944 1.00 0.00 C ATOM 404 CG1 ILE A 25 -5.300 -10.451 1.316 1.00 0.00 C ATOM 405 CG2 ILE A 25 -6.825 -9.760 -0.554 1.00 0.00 C ATOM 406 CD1 ILE A 25 -4.852 -11.691 0.574 1.00 0.00 C ATOM 0 H ILE A 25 -6.455 -9.524 3.538 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.742 -7.845 1.162 1.00 0.00 H new ATOM 0 HB ILE A 25 -7.406 -10.789 1.225 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.600 -9.641 1.110 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -5.259 -10.644 2.388 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.551 -10.670 -1.087 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -7.850 -9.488 -0.804 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.154 -8.953 -0.846 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.842 -11.957 0.886 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -5.530 -12.514 0.799 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.861 -11.496 -0.498 1.00 0.00 H new ATOM 418 N ASN A 26 -9.214 -7.593 1.371 1.00 0.00 N ATOM 419 CA ASN A 26 -10.655 -7.470 1.410 1.00 0.00 C ATOM 420 C ASN A 26 -11.246 -8.122 0.172 1.00 0.00 C ATOM 421 O ASN A 26 -10.705 -8.014 -0.926 1.00 0.00 O ATOM 422 CB ASN A 26 -11.071 -5.999 1.531 1.00 0.00 C ATOM 423 CG ASN A 26 -12.482 -5.722 1.048 1.00 0.00 C ATOM 424 OD1 ASN A 26 -12.707 -4.822 0.240 1.00 0.00 O ATOM 425 ND2 ASN A 26 -13.442 -6.496 1.543 1.00 0.00 N ATOM 0 H ASN A 26 -8.727 -6.791 0.970 1.00 0.00 H new ATOM 0 HA ASN A 26 -11.042 -7.983 2.290 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -10.986 -5.691 2.573 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -10.374 -5.385 0.960 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -14.410 -6.355 1.255 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -13.211 -7.231 2.211 1.00 0.00 H new ATOM 432 N THR A 27 -12.339 -8.828 0.373 1.00 0.00 N ATOM 433 CA THR A 27 -13.009 -9.546 -0.699 1.00 0.00 C ATOM 434 C THR A 27 -13.742 -8.610 -1.668 1.00 0.00 C ATOM 435 O THR A 27 -14.459 -9.066 -2.559 1.00 0.00 O ATOM 436 CB THR A 27 -13.970 -10.541 -0.072 1.00 0.00 C ATOM 437 OG1 THR A 27 -14.372 -11.525 -1.008 1.00 0.00 O ATOM 438 CG2 THR A 27 -15.215 -9.896 0.497 1.00 0.00 C ATOM 0 H THR A 27 -12.791 -8.922 1.283 1.00 0.00 H new ATOM 0 HA THR A 27 -12.259 -10.064 -1.297 1.00 0.00 H new ATOM 0 HB THR A 27 -13.413 -10.995 0.748 1.00 0.00 H new ATOM 0 HG1 THR A 27 -14.540 -11.102 -1.876 1.00 0.00 H new ATOM 0 HG21 THR A 27 -15.857 -10.663 0.929 1.00 0.00 H new ATOM 0 HG22 THR A 27 -14.933 -9.181 1.270 1.00 0.00 H new ATOM 0 HG23 THR A 27 -15.752 -9.378 -0.298 1.00 0.00 H new ATOM 446 N GLY A 28 -13.552 -7.307 -1.493 1.00 0.00 N ATOM 447 CA GLY A 28 -14.189 -6.334 -2.356 1.00 0.00 C ATOM 448 C GLY A 28 -13.417 -5.033 -2.396 1.00 0.00 C ATOM 449 O GLY A 28 -13.955 -3.970 -2.085 1.00 0.00 O ATOM 0 H GLY A 28 -12.963 -6.907 -0.763 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -14.271 -6.740 -3.364 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -15.203 -6.145 -2.005 1.00 0.00 H new ATOM 453 N ALA A 29 -12.146 -5.120 -2.776 1.00 0.00 N ATOM 454 CA ALA A 29 -11.287 -3.946 -2.852 1.00 0.00 C ATOM 455 C ALA A 29 -11.748 -3.010 -3.960 1.00 0.00 C ATOM 456 O ALA A 29 -12.197 -3.456 -5.013 1.00 0.00 O ATOM 457 CB ALA A 29 -9.844 -4.368 -3.086 1.00 0.00 C ATOM 0 H ALA A 29 -11.689 -5.994 -3.036 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.351 -3.411 -1.904 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.210 -3.483 -3.141 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.512 -5.001 -2.263 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -9.774 -4.923 -4.022 1.00 0.00 H new ATOM 463 N ASP A 30 -11.640 -1.713 -3.714 1.00 0.00 N ATOM 464 CA ASP A 30 -12.048 -0.715 -4.695 1.00 0.00 C ATOM 465 C ASP A 30 -11.330 0.617 -4.474 1.00 0.00 C ATOM 466 O ASP A 30 -11.709 1.635 -5.053 1.00 0.00 O ATOM 467 CB ASP A 30 -13.561 -0.503 -4.636 1.00 0.00 C ATOM 468 CG ASP A 30 -14.030 -0.059 -3.264 1.00 0.00 C ATOM 469 OD1 ASP A 30 -14.181 -0.928 -2.379 1.00 0.00 O ATOM 470 OD2 ASP A 30 -14.247 1.156 -3.075 1.00 0.00 O ATOM 0 H ASP A 30 -11.274 -1.326 -2.844 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.771 -1.089 -5.681 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -13.849 0.245 -5.375 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -14.066 -1.430 -4.907 1.00 0.00 H new ATOM 475 N VAL A 31 -10.292 0.610 -3.638 1.00 0.00 N ATOM 476 CA VAL A 31 -9.539 1.823 -3.359 1.00 0.00 C ATOM 477 C VAL A 31 -8.091 1.508 -3.009 1.00 0.00 C ATOM 478 O VAL A 31 -7.785 1.104 -1.888 1.00 0.00 O ATOM 479 CB VAL A 31 -10.172 2.628 -2.210 1.00 0.00 C ATOM 480 CG1 VAL A 31 -11.477 3.260 -2.666 1.00 0.00 C ATOM 481 CG2 VAL A 31 -10.396 1.742 -0.993 1.00 0.00 C ATOM 0 H VAL A 31 -9.958 -0.219 -3.147 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.565 2.423 -4.269 1.00 0.00 H new ATOM 0 HB VAL A 31 -9.485 3.425 -1.925 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -11.914 3.826 -1.844 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -11.284 3.929 -3.505 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -12.170 2.479 -2.977 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -10.844 2.330 -0.192 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.063 0.922 -1.258 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -9.441 1.338 -0.656 1.00 0.00 H new ATOM 491 N THR A 32 -7.199 1.706 -3.972 1.00 0.00 N ATOM 492 CA THR A 32 -5.784 1.459 -3.765 1.00 0.00 C ATOM 493 C THR A 32 -5.193 2.557 -2.897 1.00 0.00 C ATOM 494 O THR A 32 -4.940 3.666 -3.369 1.00 0.00 O ATOM 495 CB THR A 32 -5.064 1.410 -5.111 1.00 0.00 C ATOM 496 OG1 THR A 32 -5.697 2.266 -6.045 1.00 0.00 O ATOM 497 CG2 THR A 32 -5.018 0.026 -5.718 1.00 0.00 C ATOM 0 H THR A 32 -7.436 2.038 -4.907 1.00 0.00 H new ATOM 0 HA THR A 32 -5.656 0.501 -3.261 1.00 0.00 H new ATOM 0 HB THR A 32 -4.043 1.731 -4.904 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.222 2.224 -6.901 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.493 0.064 -6.672 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.494 -0.650 -5.042 1.00 0.00 H new ATOM 0 HG23 THR A 32 -6.034 -0.335 -5.878 1.00 0.00 H new ATOM 505 N ILE A 33 -4.987 2.250 -1.624 1.00 0.00 N ATOM 506 CA ILE A 33 -4.440 3.230 -0.695 1.00 0.00 C ATOM 507 C ILE A 33 -3.412 2.615 0.243 1.00 0.00 C ATOM 508 O ILE A 33 -3.590 1.506 0.746 1.00 0.00 O ATOM 509 CB ILE A 33 -5.546 3.882 0.161 1.00 0.00 C ATOM 510 CG1 ILE A 33 -6.858 3.982 -0.622 1.00 0.00 C ATOM 511 CG2 ILE A 33 -5.105 5.256 0.639 1.00 0.00 C ATOM 512 CD1 ILE A 33 -6.790 4.928 -1.802 1.00 0.00 C ATOM 0 H ILE A 33 -5.188 1.338 -1.213 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.958 3.988 -1.313 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.720 3.249 1.031 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.135 2.990 -0.978 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.649 4.311 0.052 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.896 5.703 1.241 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.201 5.159 1.241 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.901 5.893 -0.222 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.755 4.948 -2.309 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.544 5.930 -1.451 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -6.022 4.588 -2.497 1.00 0.00 H new ATOM 524 N ILE A 34 -2.350 3.371 0.491 1.00 0.00 N ATOM 525 CA ILE A 34 -1.287 2.954 1.391 1.00 0.00 C ATOM 526 C ILE A 34 -0.878 4.150 2.247 1.00 0.00 C ATOM 527 O ILE A 34 -0.369 5.143 1.738 1.00 0.00 O ATOM 528 CB ILE A 34 -0.075 2.376 0.614 1.00 0.00 C ATOM 529 CG1 ILE A 34 0.136 0.907 0.986 1.00 0.00 C ATOM 530 CG2 ILE A 34 1.200 3.169 0.874 1.00 0.00 C ATOM 531 CD1 ILE A 34 -0.988 0.001 0.533 1.00 0.00 C ATOM 0 H ILE A 34 -2.203 4.290 0.073 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.652 2.153 2.033 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.300 2.454 -0.450 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.071 0.560 0.546 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.243 0.826 2.068 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.023 2.730 0.310 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.056 4.203 0.560 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.434 3.143 1.938 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.771 -1.025 0.831 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.922 0.322 0.993 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.082 0.052 -0.552 1.00 0.00 H new ATOM 543 N LYS A 35 -1.147 4.066 3.540 1.00 0.00 N ATOM 544 CA LYS A 35 -0.855 5.154 4.460 1.00 0.00 C ATOM 545 C LYS A 35 0.568 5.678 4.326 1.00 0.00 C ATOM 546 O LYS A 35 1.436 5.030 3.741 1.00 0.00 O ATOM 547 CB LYS A 35 -1.108 4.690 5.890 1.00 0.00 C ATOM 548 CG LYS A 35 -0.264 3.495 6.293 1.00 0.00 C ATOM 549 CD LYS A 35 -0.848 2.187 5.787 1.00 0.00 C ATOM 550 CE LYS A 35 -0.583 1.045 6.755 1.00 0.00 C ATOM 551 NZ LYS A 35 -0.233 -0.219 6.047 1.00 0.00 N ATOM 0 H LYS A 35 -1.571 3.249 3.979 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.518 5.981 4.206 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.906 5.515 6.573 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.162 4.435 6.001 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.746 3.616 5.901 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.182 3.459 7.379 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.922 2.300 5.641 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.418 1.948 4.814 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.230 1.321 7.427 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.466 0.882 7.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.843 -0.989 6.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.374 -0.094 5.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.762 -0.457 6.233 1.00 0.00 H new ATOM 565 N LEU A 36 0.785 6.872 4.874 1.00 0.00 N ATOM 566 CA LEU A 36 2.088 7.524 4.828 1.00 0.00 C ATOM 567 C LEU A 36 3.083 6.842 5.760 1.00 0.00 C ATOM 568 O LEU A 36 4.291 6.885 5.529 1.00 0.00 O ATOM 569 CB LEU A 36 1.943 8.999 5.202 1.00 0.00 C ATOM 570 CG LEU A 36 2.602 9.979 4.229 1.00 0.00 C ATOM 571 CD1 LEU A 36 1.662 11.130 3.905 1.00 0.00 C ATOM 572 CD2 LEU A 36 3.908 10.502 4.806 1.00 0.00 C ATOM 0 H LEU A 36 0.067 7.410 5.359 1.00 0.00 H new ATOM 0 HA LEU A 36 2.473 7.443 3.811 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.882 9.238 5.272 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.371 9.151 6.193 1.00 0.00 H new ATOM 0 HG LEU A 36 2.821 9.448 3.303 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.151 11.815 3.212 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.752 10.739 3.449 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.408 11.662 4.822 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.364 11.198 4.102 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.710 11.016 5.747 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.587 9.668 4.984 1.00 0.00 H new ATOM 584 N GLU A 37 2.573 6.218 6.815 1.00 0.00 N ATOM 585 CA GLU A 37 3.424 5.528 7.778 1.00 0.00 C ATOM 586 C GLU A 37 4.275 4.462 7.091 1.00 0.00 C ATOM 587 O GLU A 37 5.319 4.062 7.606 1.00 0.00 O ATOM 588 CB GLU A 37 2.574 4.888 8.877 1.00 0.00 C ATOM 589 CG GLU A 37 1.883 5.901 9.774 1.00 0.00 C ATOM 590 CD GLU A 37 1.180 5.253 10.951 1.00 0.00 C ATOM 591 OE1 GLU A 37 0.709 4.106 10.804 1.00 0.00 O ATOM 592 OE2 GLU A 37 1.103 5.893 12.022 1.00 0.00 O ATOM 0 H GLU A 37 1.576 6.175 7.026 1.00 0.00 H new ATOM 0 HA GLU A 37 4.090 6.265 8.226 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.821 4.248 8.417 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.208 4.246 9.488 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.619 6.615 10.143 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.158 6.465 9.188 1.00 0.00 H new ATOM 599 N ASP A 38 3.821 4.004 5.927 1.00 0.00 N ATOM 600 CA ASP A 38 4.541 2.984 5.172 1.00 0.00 C ATOM 601 C ASP A 38 5.372 3.603 4.046 1.00 0.00 C ATOM 602 O ASP A 38 6.186 2.923 3.423 1.00 0.00 O ATOM 603 CB ASP A 38 3.558 1.961 4.596 1.00 0.00 C ATOM 604 CG ASP A 38 3.801 0.562 5.126 1.00 0.00 C ATOM 605 OD1 ASP A 38 3.629 0.349 6.344 1.00 0.00 O ATOM 606 OD2 ASP A 38 4.165 -0.323 4.322 1.00 0.00 O ATOM 0 H ASP A 38 2.958 4.323 5.487 1.00 0.00 H new ATOM 0 HA ASP A 38 5.224 2.482 5.857 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.539 2.265 4.836 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.641 1.954 3.509 1.00 0.00 H new ATOM 611 N TRP A 39 5.163 4.892 3.787 1.00 0.00 N ATOM 612 CA TRP A 39 5.897 5.587 2.735 1.00 0.00 C ATOM 613 C TRP A 39 7.367 5.756 3.121 1.00 0.00 C ATOM 614 O TRP A 39 7.692 5.964 4.290 1.00 0.00 O ATOM 615 CB TRP A 39 5.254 6.956 2.450 1.00 0.00 C ATOM 616 CG TRP A 39 6.245 8.071 2.263 1.00 0.00 C ATOM 617 CD1 TRP A 39 6.849 8.447 1.097 1.00 0.00 C ATOM 618 CD2 TRP A 39 6.755 8.946 3.277 1.00 0.00 C ATOM 619 NE1 TRP A 39 7.703 9.500 1.325 1.00 0.00 N ATOM 620 CE2 TRP A 39 7.660 9.826 2.654 1.00 0.00 C ATOM 621 CE3 TRP A 39 6.531 9.073 4.653 1.00 0.00 C ATOM 622 CZ2 TRP A 39 8.341 10.816 3.358 1.00 0.00 C ATOM 623 CZ3 TRP A 39 7.207 10.057 5.349 1.00 0.00 C ATOM 624 CH2 TRP A 39 8.102 10.917 4.701 1.00 0.00 C ATOM 0 H TRP A 39 4.493 5.474 4.290 1.00 0.00 H new ATOM 0 HA TRP A 39 5.851 4.984 1.828 1.00 0.00 H new ATOM 0 HB2 TRP A 39 4.638 6.877 1.554 1.00 0.00 H new ATOM 0 HB3 TRP A 39 4.587 7.211 3.274 1.00 0.00 H new ATOM 0 HD1 TRP A 39 6.680 7.984 0.136 1.00 0.00 H new ATOM 0 HE1 TRP A 39 8.275 9.963 0.619 1.00 0.00 H new ATOM 0 HE3 TRP A 39 5.843 8.414 5.161 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 9.033 11.480 2.861 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 7.042 10.165 6.411 1.00 0.00 H new ATOM 0 HH2 TRP A 39 8.614 11.676 5.274 1.00 0.00 H new ATOM 635 N PRO A 40 8.276 5.674 2.133 1.00 0.00 N ATOM 636 CA PRO A 40 9.715 5.823 2.367 1.00 0.00 C ATOM 637 C PRO A 40 10.099 7.258 2.726 1.00 0.00 C ATOM 638 O PRO A 40 9.834 8.185 1.962 1.00 0.00 O ATOM 639 CB PRO A 40 10.337 5.434 1.025 1.00 0.00 C ATOM 640 CG PRO A 40 9.274 5.707 0.020 1.00 0.00 C ATOM 641 CD PRO A 40 7.970 5.430 0.712 1.00 0.00 C ATOM 0 HA PRO A 40 10.053 5.214 3.205 1.00 0.00 H new ATOM 0 HB2 PRO A 40 11.234 6.018 0.821 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.631 4.384 1.015 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.320 6.739 -0.326 1.00 0.00 H new ATOM 0 HG3 PRO A 40 9.393 5.071 -0.857 1.00 0.00 H new ATOM 0 HD2 PRO A 40 7.178 6.087 0.353 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.636 4.406 0.543 1.00 0.00 H new ATOM 649 N PRO A 41 10.737 7.463 3.893 1.00 0.00 N ATOM 650 CA PRO A 41 11.157 8.796 4.332 1.00 0.00 C ATOM 651 C PRO A 41 12.377 9.304 3.567 1.00 0.00 C ATOM 652 O PRO A 41 12.817 10.437 3.766 1.00 0.00 O ATOM 653 CB PRO A 41 11.498 8.586 5.806 1.00 0.00 C ATOM 654 CG PRO A 41 11.918 7.160 5.895 1.00 0.00 C ATOM 655 CD PRO A 41 11.103 6.418 4.869 1.00 0.00 C ATOM 0 HA PRO A 41 10.385 9.546 4.160 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.296 9.255 6.127 1.00 0.00 H new ATOM 0 HB3 PRO A 41 10.638 8.786 6.444 1.00 0.00 H new ATOM 0 HG2 PRO A 41 12.984 7.055 5.695 1.00 0.00 H new ATOM 0 HG3 PRO A 41 11.740 6.763 6.895 1.00 0.00 H new ATOM 0 HD2 PRO A 41 11.678 5.618 4.403 1.00 0.00 H new ATOM 0 HD3 PRO A 41 10.220 5.959 5.314 1.00 0.00 H new ATOM 663 N ASN A 42 12.923 8.461 2.693 1.00 0.00 N ATOM 664 CA ASN A 42 14.091 8.829 1.902 1.00 0.00 C ATOM 665 C ASN A 42 13.796 10.036 1.018 1.00 0.00 C ATOM 666 O ASN A 42 14.649 10.903 0.833 1.00 0.00 O ATOM 667 CB ASN A 42 14.538 7.647 1.040 1.00 0.00 C ATOM 668 CG ASN A 42 16.001 7.735 0.651 1.00 0.00 C ATOM 669 OD1 ASN A 42 16.523 8.819 0.391 1.00 0.00 O ATOM 670 ND2 ASN A 42 16.672 6.590 0.610 1.00 0.00 N ATOM 0 H ASN A 42 12.574 7.519 2.516 1.00 0.00 H new ATOM 0 HA ASN A 42 14.894 9.096 2.589 1.00 0.00 H new ATOM 0 HB2 ASN A 42 14.365 6.718 1.584 1.00 0.00 H new ATOM 0 HB3 ASN A 42 13.927 7.607 0.138 1.00 0.00 H new ATOM 0 HD21 ASN A 42 17.660 6.587 0.355 1.00 0.00 H new ATOM 0 HD22 ASN A 42 16.200 5.714 0.833 1.00 0.00 H new ATOM 677 N TRP A 43 12.585 10.085 0.470 1.00 0.00 N ATOM 678 CA TRP A 43 12.190 11.190 -0.398 1.00 0.00 C ATOM 679 C TRP A 43 10.878 11.819 0.073 1.00 0.00 C ATOM 680 O TRP A 43 10.021 11.137 0.634 1.00 0.00 O ATOM 681 CB TRP A 43 12.052 10.707 -1.845 1.00 0.00 C ATOM 682 CG TRP A 43 10.858 9.830 -2.082 1.00 0.00 C ATOM 683 CD1 TRP A 43 9.544 10.203 -2.039 1.00 0.00 C ATOM 684 CD2 TRP A 43 10.866 8.434 -2.400 1.00 0.00 C ATOM 685 NE1 TRP A 43 8.737 9.125 -2.312 1.00 0.00 N ATOM 686 CE2 TRP A 43 9.525 8.029 -2.536 1.00 0.00 C ATOM 687 CE3 TRP A 43 11.876 7.486 -2.584 1.00 0.00 C ATOM 688 CZ2 TRP A 43 9.169 6.724 -2.848 1.00 0.00 C ATOM 689 CZ3 TRP A 43 11.520 6.188 -2.894 1.00 0.00 C ATOM 690 CH2 TRP A 43 10.175 5.818 -3.023 1.00 0.00 C ATOM 0 H TRP A 43 11.864 9.377 0.610 1.00 0.00 H new ATOM 0 HA TRP A 43 12.969 11.951 -0.350 1.00 0.00 H new ATOM 0 HB2 TRP A 43 11.990 11.574 -2.503 1.00 0.00 H new ATOM 0 HB3 TRP A 43 12.953 10.160 -2.123 1.00 0.00 H new ATOM 0 HD1 TRP A 43 9.191 11.200 -1.822 1.00 0.00 H new ATOM 0 HE1 TRP A 43 7.718 9.139 -2.343 1.00 0.00 H new ATOM 0 HE3 TRP A 43 12.915 7.763 -2.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 8.133 6.436 -2.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 12.291 5.446 -3.039 1.00 0.00 H new ATOM 0 HH2 TRP A 43 9.929 4.795 -3.266 1.00 0.00 H new ATOM 701 N PRO A 44 10.699 13.134 -0.158 1.00 0.00 N ATOM 702 CA PRO A 44 9.483 13.846 0.237 1.00 0.00 C ATOM 703 C PRO A 44 8.301 13.485 -0.653 1.00 0.00 C ATOM 704 O PRO A 44 8.473 13.174 -1.831 1.00 0.00 O ATOM 705 CB PRO A 44 9.840 15.329 0.062 1.00 0.00 C ATOM 706 CG PRO A 44 11.302 15.370 -0.250 1.00 0.00 C ATOM 707 CD PRO A 44 11.653 14.028 -0.825 1.00 0.00 C ATOM 0 HA PRO A 44 9.181 13.592 1.253 1.00 0.00 H new ATOM 0 HB2 PRO A 44 9.257 15.778 -0.742 1.00 0.00 H new ATOM 0 HB3 PRO A 44 9.619 15.893 0.968 1.00 0.00 H new ATOM 0 HG2 PRO A 44 11.525 16.167 -0.960 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.885 15.572 0.649 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.537 14.009 -1.909 1.00 0.00 H new ATOM 0 HD3 PRO A 44 12.685 13.752 -0.610 1.00 0.00 H new ATOM 715 N ILE A 45 7.102 13.530 -0.089 1.00 0.00 N ATOM 716 CA ILE A 45 5.900 13.201 -0.843 1.00 0.00 C ATOM 717 C ILE A 45 4.793 14.223 -0.615 1.00 0.00 C ATOM 718 O ILE A 45 4.940 15.154 0.176 1.00 0.00 O ATOM 719 CB ILE A 45 5.371 11.801 -0.475 1.00 0.00 C ATOM 720 CG1 ILE A 45 5.312 11.625 1.046 1.00 0.00 C ATOM 721 CG2 ILE A 45 6.243 10.724 -1.100 1.00 0.00 C ATOM 722 CD1 ILE A 45 3.937 11.869 1.628 1.00 0.00 C ATOM 0 H ILE A 45 6.936 13.790 0.883 1.00 0.00 H new ATOM 0 HA ILE A 45 6.184 13.215 -1.895 1.00 0.00 H new ATOM 0 HB ILE A 45 4.360 11.703 -0.870 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.631 10.614 1.300 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.022 12.309 1.511 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.856 9.741 -0.831 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.234 10.833 -2.185 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.265 10.825 -0.733 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.969 11.727 2.708 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.623 12.889 1.405 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.227 11.167 1.191 1.00 0.00 H new ATOM 734 N THR A 46 3.680 14.033 -1.316 1.00 0.00 N ATOM 735 CA THR A 46 2.532 14.922 -1.199 1.00 0.00 C ATOM 736 C THR A 46 1.923 14.825 0.198 1.00 0.00 C ATOM 737 O THR A 46 2.422 14.085 1.045 1.00 0.00 O ATOM 738 CB THR A 46 1.496 14.612 -2.279 1.00 0.00 C ATOM 739 OG1 THR A 46 1.683 13.308 -2.788 1.00 0.00 O ATOM 740 CG2 THR A 46 1.560 15.568 -3.453 1.00 0.00 C ATOM 0 H THR A 46 3.550 13.266 -1.975 1.00 0.00 H new ATOM 0 HA THR A 46 2.870 15.948 -1.349 1.00 0.00 H new ATOM 0 HB THR A 46 0.526 14.714 -1.792 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.262 13.238 -3.670 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.800 15.296 -4.186 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.380 16.585 -3.104 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.546 15.512 -3.915 1.00 0.00 H new ATOM 989 N GLN A 63 -1.939 13.795 -1.889 1.00 0.00 N ATOM 990 CA GLN A 63 -1.582 12.445 -1.453 1.00 0.00 C ATOM 991 C GLN A 63 -0.487 11.831 -2.317 1.00 0.00 C ATOM 992 O GLN A 63 -0.564 11.842 -3.546 1.00 0.00 O ATOM 993 CB GLN A 63 -2.819 11.541 -1.461 1.00 0.00 C ATOM 994 CG GLN A 63 -3.840 11.900 -2.530 1.00 0.00 C ATOM 995 CD GLN A 63 -4.882 12.885 -2.035 1.00 0.00 C ATOM 996 OE1 GLN A 63 -6.146 12.605 -2.330 1.00 0.00 O flip ATOM 997 NE2 GLN A 63 -4.554 13.883 -1.395 1.00 0.00 N flip ATOM 0 HA GLN A 63 -1.194 12.527 -0.438 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.501 10.509 -1.608 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -3.299 11.590 -0.484 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.324 12.325 -3.391 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.337 10.992 -2.872 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.570 14.058 -1.192 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.266 14.536 -1.068 1.00 0.00 H new ATOM 1006 N SER A 64 0.531 11.288 -1.654 1.00 0.00 N ATOM 1007 CA SER A 64 1.659 10.650 -2.343 1.00 0.00 C ATOM 1008 C SER A 64 1.186 9.583 -3.322 1.00 0.00 C ATOM 1009 O SER A 64 0.023 9.182 -3.309 1.00 0.00 O ATOM 1010 CB SER A 64 2.620 10.022 -1.338 1.00 0.00 C ATOM 1011 OG SER A 64 3.890 9.797 -1.922 1.00 0.00 O ATOM 0 H SER A 64 0.601 11.275 -0.637 1.00 0.00 H new ATOM 0 HA SER A 64 2.176 11.430 -2.902 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.725 10.676 -0.472 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.209 9.079 -0.977 1.00 0.00 H new ATOM 0 HG SER A 64 4.101 8.841 -1.887 1.00 0.00 H new ATOM 1017 N SER A 65 2.104 9.129 -4.169 1.00 0.00 N ATOM 1018 CA SER A 65 1.796 8.107 -5.162 1.00 0.00 C ATOM 1019 C SER A 65 2.606 6.832 -4.920 1.00 0.00 C ATOM 1020 O SER A 65 2.245 5.767 -5.423 1.00 0.00 O ATOM 1021 CB SER A 65 2.069 8.637 -6.570 1.00 0.00 C ATOM 1022 OG SER A 65 3.390 9.138 -6.679 1.00 0.00 O ATOM 0 H SER A 65 3.071 9.454 -4.187 1.00 0.00 H new ATOM 0 HA SER A 65 0.738 7.861 -5.068 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.918 7.840 -7.298 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.356 9.426 -6.809 1.00 0.00 H new ATOM 0 HG SER A 65 3.540 9.469 -7.589 1.00 0.00 H new ATOM 1028 N LYS A 66 3.702 6.948 -4.157 1.00 0.00 N ATOM 1029 CA LYS A 66 4.576 5.806 -3.847 1.00 0.00 C ATOM 1030 C LYS A 66 3.832 4.479 -3.985 1.00 0.00 C ATOM 1031 O LYS A 66 2.888 4.209 -3.245 1.00 0.00 O ATOM 1032 CB LYS A 66 5.141 5.948 -2.428 1.00 0.00 C ATOM 1033 CG LYS A 66 5.731 4.662 -1.862 1.00 0.00 C ATOM 1034 CD LYS A 66 6.680 3.997 -2.847 1.00 0.00 C ATOM 1035 CE LYS A 66 7.717 3.143 -2.134 1.00 0.00 C ATOM 1036 NZ LYS A 66 7.577 1.699 -2.469 1.00 0.00 N ATOM 0 H LYS A 66 4.006 7.828 -3.740 1.00 0.00 H new ATOM 0 HA LYS A 66 5.396 5.806 -4.565 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.912 6.718 -2.431 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.348 6.294 -1.765 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.263 4.882 -0.936 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.926 3.972 -1.610 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.111 3.377 -3.540 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.182 4.760 -3.441 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.716 3.483 -2.407 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.618 3.276 -1.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.764 1.126 -1.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.611 1.513 -2.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.258 1.448 -3.213 1.00 0.00 H new ATOM 1050 N TYR A 67 4.251 3.668 -4.950 1.00 0.00 N ATOM 1051 CA TYR A 67 3.608 2.388 -5.202 1.00 0.00 C ATOM 1052 C TYR A 67 4.209 1.269 -4.367 1.00 0.00 C ATOM 1053 O TYR A 67 5.391 1.292 -4.025 1.00 0.00 O ATOM 1054 CB TYR A 67 3.681 2.059 -6.695 1.00 0.00 C ATOM 1055 CG TYR A 67 4.927 1.326 -7.136 1.00 0.00 C ATOM 1056 CD1 TYR A 67 6.172 1.625 -6.597 1.00 0.00 C ATOM 1057 CD2 TYR A 67 4.852 0.335 -8.103 1.00 0.00 C ATOM 1058 CE1 TYR A 67 7.307 0.954 -7.012 1.00 0.00 C ATOM 1059 CE2 TYR A 67 5.977 -0.339 -8.524 1.00 0.00 C ATOM 1060 CZ TYR A 67 7.203 -0.027 -7.976 1.00 0.00 C ATOM 1061 OH TYR A 67 8.331 -0.697 -8.394 1.00 0.00 O ATOM 0 H TYR A 67 5.034 3.876 -5.570 1.00 0.00 H new ATOM 0 HA TYR A 67 2.563 2.472 -4.903 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.812 1.456 -6.960 1.00 0.00 H new ATOM 0 HB3 TYR A 67 3.608 2.989 -7.259 1.00 0.00 H new ATOM 0 HD1 TYR A 67 6.254 2.393 -5.842 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.893 0.087 -8.534 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.269 1.196 -6.584 1.00 0.00 H new ATOM 0 HE2 TYR A 67 5.899 -1.107 -9.279 1.00 0.00 H new ATOM 0 HH TYR A 67 8.086 -1.357 -9.076 1.00 0.00 H new ATOM 1071 N LEU A 68 3.375 0.287 -4.045 1.00 0.00 N ATOM 1072 CA LEU A 68 3.812 -0.849 -3.255 1.00 0.00 C ATOM 1073 C LEU A 68 3.780 -2.123 -4.077 1.00 0.00 C ATOM 1074 O LEU A 68 2.904 -2.314 -4.931 1.00 0.00 O ATOM 1075 CB LEU A 68 2.945 -1.016 -2.004 1.00 0.00 C ATOM 1076 CG LEU A 68 3.721 -1.270 -0.714 1.00 0.00 C ATOM 1077 CD1 LEU A 68 4.885 -0.305 -0.608 1.00 0.00 C ATOM 1078 CD2 LEU A 68 2.807 -1.148 0.497 1.00 0.00 C ATOM 0 H LEU A 68 2.393 0.258 -4.321 1.00 0.00 H new ATOM 0 HA LEU A 68 4.839 -0.657 -2.944 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.340 -0.118 -1.876 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.256 -1.845 -2.165 1.00 0.00 H new ATOM 0 HG LEU A 68 4.113 -2.287 -0.738 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.432 -0.495 0.316 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.551 -0.444 -1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.510 0.718 -0.604 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.380 -1.333 1.406 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.383 -0.144 0.533 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.002 -1.879 0.421 1.00 0.00 H new ATOM 1090 N THR A 69 4.742 -2.992 -3.804 1.00 0.00 N ATOM 1091 CA THR A 69 4.848 -4.259 -4.496 1.00 0.00 C ATOM 1092 C THR A 69 4.610 -5.410 -3.526 1.00 0.00 C ATOM 1093 O THR A 69 5.371 -5.616 -2.585 1.00 0.00 O ATOM 1094 CB THR A 69 6.213 -4.377 -5.168 1.00 0.00 C ATOM 1095 OG1 THR A 69 7.250 -4.024 -4.270 1.00 0.00 O ATOM 1096 CG2 THR A 69 6.341 -3.499 -6.393 1.00 0.00 C ATOM 0 H THR A 69 5.464 -2.837 -3.101 1.00 0.00 H new ATOM 0 HA THR A 69 4.083 -4.308 -5.271 1.00 0.00 H new ATOM 0 HB THR A 69 6.302 -5.420 -5.472 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.096 -3.953 -4.759 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.332 -3.625 -6.829 1.00 0.00 H new ATOM 0 HG22 THR A 69 5.584 -3.783 -7.125 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.199 -2.456 -6.110 1.00 0.00 H new ATOM 1104 N TRP A 70 3.534 -6.141 -3.771 1.00 0.00 N ATOM 1105 CA TRP A 70 3.140 -7.270 -2.949 1.00 0.00 C ATOM 1106 C TRP A 70 2.985 -8.497 -3.829 1.00 0.00 C ATOM 1107 O TRP A 70 2.256 -8.471 -4.819 1.00 0.00 O ATOM 1108 CB TRP A 70 1.813 -6.964 -2.250 1.00 0.00 C ATOM 1109 CG TRP A 70 1.612 -7.701 -0.959 1.00 0.00 C ATOM 1110 CD1 TRP A 70 2.566 -8.317 -0.202 1.00 0.00 C ATOM 1111 CD2 TRP A 70 0.369 -7.893 -0.274 1.00 0.00 C ATOM 1112 NE1 TRP A 70 1.991 -8.882 0.912 1.00 0.00 N ATOM 1113 CE2 TRP A 70 0.643 -8.636 0.889 1.00 0.00 C ATOM 1114 CE3 TRP A 70 -0.950 -7.509 -0.532 1.00 0.00 C ATOM 1115 CZ2 TRP A 70 -0.352 -9.002 1.791 1.00 0.00 C ATOM 1116 CZ3 TRP A 70 -1.938 -7.873 0.364 1.00 0.00 C ATOM 1117 CH2 TRP A 70 -1.635 -8.612 1.514 1.00 0.00 C ATOM 0 H TRP A 70 2.905 -5.964 -4.554 1.00 0.00 H new ATOM 0 HA TRP A 70 3.904 -7.456 -2.194 1.00 0.00 H new ATOM 0 HB2 TRP A 70 1.756 -5.893 -2.056 1.00 0.00 H new ATOM 0 HB3 TRP A 70 0.994 -7.209 -2.926 1.00 0.00 H new ATOM 0 HD1 TRP A 70 3.618 -8.355 -0.443 1.00 0.00 H new ATOM 0 HE1 TRP A 70 2.487 -9.400 1.637 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -1.193 -6.938 -1.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -0.120 -9.573 2.678 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -2.961 -7.582 0.174 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -2.429 -8.880 2.196 1.00 0.00 H new ATOM 1128 N ARG A 71 3.673 -9.566 -3.479 1.00 0.00 N ATOM 1129 CA ARG A 71 3.601 -10.786 -4.255 1.00 0.00 C ATOM 1130 C ARG A 71 3.747 -12.005 -3.361 1.00 0.00 C ATOM 1131 O ARG A 71 4.406 -11.951 -2.323 1.00 0.00 O ATOM 1132 CB ARG A 71 4.669 -10.810 -5.351 1.00 0.00 C ATOM 1133 CG ARG A 71 5.857 -9.904 -5.091 1.00 0.00 C ATOM 1134 CD ARG A 71 5.689 -8.544 -5.739 1.00 0.00 C ATOM 1135 NE ARG A 71 6.632 -7.575 -5.188 1.00 0.00 N ATOM 1136 CZ ARG A 71 7.884 -7.431 -5.615 1.00 0.00 C ATOM 1137 NH1 ARG A 71 8.351 -8.190 -6.599 1.00 0.00 N ATOM 1138 NH2 ARG A 71 8.675 -6.528 -5.053 1.00 0.00 N ATOM 0 H ARG A 71 4.286 -9.614 -2.665 1.00 0.00 H new ATOM 0 HA ARG A 71 2.620 -10.814 -4.730 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.027 -11.833 -5.470 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.208 -10.522 -6.296 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.989 -9.779 -4.016 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.763 -10.377 -5.471 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.840 -8.630 -6.815 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.669 -8.190 -5.587 1.00 0.00 H new ATOM 0 HE ARG A 71 6.312 -6.972 -4.430 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.749 -8.890 -7.033 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.312 -8.074 -6.921 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.324 -5.944 -4.294 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.635 -6.417 -5.380 1.00 0.00 H new ATOM 1152 N ASP A 72 3.139 -13.108 -3.774 1.00 0.00 N ATOM 1153 CA ASP A 72 3.214 -14.337 -3.012 1.00 0.00 C ATOM 1154 C ASP A 72 4.545 -15.018 -3.264 1.00 0.00 C ATOM 1155 O ASP A 72 5.257 -14.665 -4.205 1.00 0.00 O ATOM 1156 CB ASP A 72 2.062 -15.275 -3.384 1.00 0.00 C ATOM 1157 CG ASP A 72 2.086 -15.674 -4.847 1.00 0.00 C ATOM 1158 OD1 ASP A 72 3.141 -16.151 -5.316 1.00 0.00 O ATOM 1159 OD2 ASP A 72 1.049 -15.510 -5.523 1.00 0.00 O ATOM 0 H ASP A 72 2.590 -13.173 -4.631 1.00 0.00 H new ATOM 0 HA ASP A 72 3.130 -14.096 -1.952 1.00 0.00 H new ATOM 0 HB2 ASP A 72 2.114 -16.171 -2.766 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.114 -14.787 -3.160 1.00 0.00 H new ATOM 1164 N LYS A 73 4.871 -15.986 -2.413 1.00 0.00 N ATOM 1165 CA LYS A 73 6.120 -16.740 -2.511 1.00 0.00 C ATOM 1166 C LYS A 73 6.500 -17.037 -3.958 1.00 0.00 C ATOM 1167 O LYS A 73 7.682 -17.153 -4.284 1.00 0.00 O ATOM 1168 CB LYS A 73 5.997 -18.047 -1.730 1.00 0.00 C ATOM 1169 CG LYS A 73 7.304 -18.517 -1.113 1.00 0.00 C ATOM 1170 CD LYS A 73 7.262 -20.000 -0.782 1.00 0.00 C ATOM 1171 CE LYS A 73 7.375 -20.853 -2.035 1.00 0.00 C ATOM 1172 NZ LYS A 73 6.753 -22.194 -1.851 1.00 0.00 N ATOM 0 H LYS A 73 4.277 -16.271 -1.634 1.00 0.00 H new ATOM 0 HA LYS A 73 6.911 -16.123 -2.084 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.258 -17.919 -0.939 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.620 -18.823 -2.396 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.125 -18.320 -1.803 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.506 -17.946 -0.206 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.076 -20.245 -0.099 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.331 -20.232 -0.265 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.894 -20.341 -2.868 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.426 -20.973 -2.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.851 -22.745 -2.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.229 -22.694 -1.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.744 -22.081 -1.624 1.00 0.00 H new ATOM 1186 N GLU A 74 5.501 -17.153 -4.825 1.00 0.00 N ATOM 1187 CA GLU A 74 5.754 -17.427 -6.233 1.00 0.00 C ATOM 1188 C GLU A 74 6.267 -16.179 -6.956 1.00 0.00 C ATOM 1189 O GLU A 74 6.392 -16.170 -8.180 1.00 0.00 O ATOM 1190 CB GLU A 74 4.484 -17.941 -6.913 1.00 0.00 C ATOM 1191 CG GLU A 74 4.726 -19.126 -7.836 1.00 0.00 C ATOM 1192 CD GLU A 74 4.105 -18.936 -9.206 1.00 0.00 C ATOM 1193 OE1 GLU A 74 2.862 -19.010 -9.310 1.00 0.00 O ATOM 1194 OE2 GLU A 74 4.860 -18.713 -10.175 1.00 0.00 O ATOM 0 H GLU A 74 4.515 -17.062 -4.580 1.00 0.00 H new ATOM 0 HA GLU A 74 6.525 -18.196 -6.290 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.763 -18.228 -6.148 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.035 -17.130 -7.486 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.799 -19.282 -7.946 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.318 -20.027 -7.378 1.00 0.00 H new ATOM 1201 N ASN A 75 6.566 -15.127 -6.191 1.00 0.00 N ATOM 1202 CA ASN A 75 7.068 -13.881 -6.755 1.00 0.00 C ATOM 1203 C ASN A 75 6.002 -13.176 -7.591 1.00 0.00 C ATOM 1204 O ASN A 75 6.297 -12.661 -8.671 1.00 0.00 O ATOM 1205 CB ASN A 75 8.311 -14.146 -7.609 1.00 0.00 C ATOM 1206 CG ASN A 75 9.242 -12.951 -7.661 1.00 0.00 C ATOM 1207 OD1 ASN A 75 9.149 -12.115 -8.559 1.00 0.00 O ATOM 1208 ND2 ASN A 75 10.151 -12.865 -6.695 1.00 0.00 N ATOM 0 H ASN A 75 6.467 -15.118 -5.176 1.00 0.00 H new ATOM 0 HA ASN A 75 7.335 -13.226 -5.925 1.00 0.00 H new ATOM 0 HB2 ASN A 75 8.849 -15.005 -7.207 1.00 0.00 H new ATOM 0 HB3 ASN A 75 8.004 -14.408 -8.621 1.00 0.00 H new ATOM 0 HD21 ASN A 75 10.806 -12.083 -6.679 1.00 0.00 H new ATOM 0 HD22 ASN A 75 10.193 -13.581 -5.969 1.00 0.00 H new ATOM 1215 N ASN A 76 4.765 -13.139 -7.094 1.00 0.00 N ATOM 1216 CA ASN A 76 3.687 -12.471 -7.829 1.00 0.00 C ATOM 1217 C ASN A 76 2.371 -12.438 -7.049 1.00 0.00 C ATOM 1218 O ASN A 76 2.034 -13.379 -6.332 1.00 0.00 O ATOM 1219 CB ASN A 76 3.469 -13.162 -9.176 1.00 0.00 C ATOM 1220 CG ASN A 76 3.282 -14.660 -9.036 1.00 0.00 C ATOM 1221 OD1 ASN A 76 2.325 -15.123 -8.415 1.00 0.00 O ATOM 1222 ND2 ASN A 76 4.200 -15.428 -9.613 1.00 0.00 N ATOM 0 H ASN A 76 4.487 -13.554 -6.205 1.00 0.00 H new ATOM 0 HA ASN A 76 3.999 -11.438 -7.981 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.593 -12.734 -9.663 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.323 -12.965 -9.824 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.128 -16.444 -9.551 1.00 0.00 H new ATOM 0 HD22 ASN A 76 4.977 -15.002 -10.118 1.00 0.00 H new ATOM 1229 N SER A 77 1.621 -11.346 -7.225 1.00 0.00 N ATOM 1230 CA SER A 77 0.323 -11.175 -6.571 1.00 0.00 C ATOM 1231 C SER A 77 -0.314 -9.840 -6.947 1.00 0.00 C ATOM 1232 O SER A 77 -1.515 -9.775 -7.215 1.00 0.00 O ATOM 1233 CB SER A 77 0.440 -11.280 -5.049 1.00 0.00 C ATOM 1234 OG SER A 77 0.372 -10.006 -4.431 1.00 0.00 O ATOM 0 H SER A 77 1.894 -10.563 -7.819 1.00 0.00 H new ATOM 0 HA SER A 77 -0.317 -11.983 -6.925 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.359 -11.914 -4.665 1.00 0.00 H new ATOM 0 HB3 SER A 77 1.382 -11.762 -4.788 1.00 0.00 H new ATOM 0 HG SER A 77 1.067 -9.424 -4.804 1.00 0.00 H new ATOM 1240 N GLY A 78 0.483 -8.772 -6.957 1.00 0.00 N ATOM 1241 CA GLY A 78 -0.054 -7.469 -7.291 1.00 0.00 C ATOM 1242 C GLY A 78 0.810 -6.330 -6.791 1.00 0.00 C ATOM 1243 O GLY A 78 1.328 -6.373 -5.677 1.00 0.00 O ATOM 0 H GLY A 78 1.480 -8.788 -6.742 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.159 -7.391 -8.373 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.053 -7.374 -6.867 1.00 0.00 H new ATOM 1247 N LEU A 79 0.951 -5.302 -7.616 1.00 0.00 N ATOM 1248 CA LEU A 79 1.741 -4.134 -7.256 1.00 0.00 C ATOM 1249 C LEU A 79 1.285 -2.923 -8.059 1.00 0.00 C ATOM 1250 O LEU A 79 1.193 -2.981 -9.285 1.00 0.00 O ATOM 1251 CB LEU A 79 3.227 -4.402 -7.490 1.00 0.00 C ATOM 1252 CG LEU A 79 3.648 -4.513 -8.955 1.00 0.00 C ATOM 1253 CD1 LEU A 79 4.551 -3.352 -9.332 1.00 0.00 C ATOM 1254 CD2 LEU A 79 4.344 -5.841 -9.210 1.00 0.00 C ATOM 0 H LEU A 79 0.527 -5.254 -8.542 1.00 0.00 H new ATOM 0 HA LEU A 79 1.592 -3.925 -6.197 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.801 -3.602 -7.024 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.497 -5.327 -6.980 1.00 0.00 H new ATOM 0 HG LEU A 79 2.755 -4.472 -9.579 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.844 -3.443 -10.378 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.017 -2.413 -9.185 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.442 -3.365 -8.704 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.637 -5.903 -10.258 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.231 -5.914 -8.581 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.664 -6.659 -8.974 1.00 0.00 H new ATOM 1266 N ILE A 80 0.986 -1.828 -7.368 1.00 0.00 N ATOM 1267 CA ILE A 80 0.524 -0.617 -8.041 1.00 0.00 C ATOM 1268 C ILE A 80 0.726 0.622 -7.182 1.00 0.00 C ATOM 1269 O ILE A 80 0.999 0.524 -5.988 1.00 0.00 O ATOM 1270 CB ILE A 80 -0.966 -0.714 -8.423 1.00 0.00 C ATOM 1271 CG1 ILE A 80 -1.780 -1.299 -7.267 1.00 0.00 C ATOM 1272 CG2 ILE A 80 -1.138 -1.556 -9.679 1.00 0.00 C ATOM 1273 CD1 ILE A 80 -1.799 -0.422 -6.033 1.00 0.00 C ATOM 0 H ILE A 80 1.054 -1.753 -6.353 1.00 0.00 H new ATOM 0 HA ILE A 80 1.126 -0.527 -8.945 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.336 0.290 -8.628 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -2.804 -1.463 -7.602 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.371 -2.274 -7.003 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.196 -1.615 -9.936 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.590 -1.098 -10.502 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.752 -2.559 -9.500 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.395 -0.901 -5.256 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.780 -0.278 -5.673 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.236 0.545 -6.281 1.00 0.00 H new ATOM 1285 N LYS A 81 0.594 1.790 -7.810 1.00 0.00 N ATOM 1286 CA LYS A 81 0.765 3.067 -7.121 1.00 0.00 C ATOM 1287 C LYS A 81 -0.555 3.578 -6.537 1.00 0.00 C ATOM 1288 O LYS A 81 -1.418 4.062 -7.268 1.00 0.00 O ATOM 1289 CB LYS A 81 1.338 4.111 -8.082 1.00 0.00 C ATOM 1290 CG LYS A 81 0.539 4.261 -9.368 1.00 0.00 C ATOM 1291 CD LYS A 81 0.327 5.724 -9.731 1.00 0.00 C ATOM 1292 CE LYS A 81 0.779 6.019 -11.152 1.00 0.00 C ATOM 1293 NZ LYS A 81 -0.366 6.066 -12.102 1.00 0.00 N ATOM 0 H LYS A 81 0.368 1.877 -8.801 1.00 0.00 H new ATOM 0 HA LYS A 81 1.459 2.904 -6.297 1.00 0.00 H new ATOM 0 HB2 LYS A 81 1.379 5.075 -7.575 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.364 3.839 -8.331 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.060 3.756 -10.181 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -0.428 3.770 -9.255 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -0.728 5.977 -9.624 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.878 6.356 -9.035 1.00 0.00 H new ATOM 0 HE2 LYS A 81 1.308 6.972 -11.174 1.00 0.00 H new ATOM 0 HE3 LYS A 81 1.486 5.254 -11.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -0.015 6.270 -13.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -0.856 5.149 -12.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -1.029 6.813 -11.810 1.00 0.00 H new ATOM 1307 N PRO A 82 -0.725 3.486 -5.203 1.00 0.00 N ATOM 1308 CA PRO A 82 -1.924 3.944 -4.518 1.00 0.00 C ATOM 1309 C PRO A 82 -1.772 5.365 -3.990 1.00 0.00 C ATOM 1310 O PRO A 82 -0.873 6.097 -4.403 1.00 0.00 O ATOM 1311 CB PRO A 82 -2.020 2.950 -3.368 1.00 0.00 C ATOM 1312 CG PRO A 82 -0.597 2.658 -3.007 1.00 0.00 C ATOM 1313 CD PRO A 82 0.240 2.932 -4.239 1.00 0.00 C ATOM 0 HA PRO A 82 -2.803 3.979 -5.162 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.566 3.371 -2.524 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -2.547 2.045 -3.669 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -0.274 3.284 -2.175 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -0.485 1.622 -2.688 1.00 0.00 H new ATOM 0 HD2 PRO A 82 1.044 3.637 -4.028 1.00 0.00 H new ATOM 0 HD3 PRO A 82 0.705 2.022 -4.617 1.00 0.00 H new ATOM 1321 N PHE A 83 -2.649 5.746 -3.070 1.00 0.00 N ATOM 1322 CA PHE A 83 -2.600 7.076 -2.483 1.00 0.00 C ATOM 1323 C PHE A 83 -2.165 7.001 -1.029 1.00 0.00 C ATOM 1324 O PHE A 83 -2.800 6.345 -0.207 1.00 0.00 O ATOM 1325 CB PHE A 83 -3.958 7.764 -2.598 1.00 0.00 C ATOM 1326 CG PHE A 83 -4.091 8.606 -3.833 1.00 0.00 C ATOM 1327 CD1 PHE A 83 -3.059 9.443 -4.227 1.00 0.00 C ATOM 1328 CD2 PHE A 83 -5.242 8.558 -4.601 1.00 0.00 C ATOM 1329 CE1 PHE A 83 -3.173 10.217 -5.366 1.00 0.00 C ATOM 1330 CE2 PHE A 83 -5.363 9.330 -5.741 1.00 0.00 C ATOM 1331 CZ PHE A 83 -4.328 10.161 -6.123 1.00 0.00 C ATOM 0 H PHE A 83 -3.400 5.154 -2.716 1.00 0.00 H new ATOM 0 HA PHE A 83 -1.867 7.666 -3.033 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.743 7.008 -2.596 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -4.116 8.390 -1.720 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -2.156 9.491 -3.637 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -6.054 7.910 -4.306 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.361 10.864 -5.664 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -6.266 9.284 -6.332 1.00 0.00 H new ATOM 0 HZ PHE A 83 -4.421 10.766 -7.012 1.00 0.00 H new ATOM 1341 N VAL A 84 -1.060 7.661 -0.732 1.00 0.00 N ATOM 1342 CA VAL A 84 -0.501 7.673 0.599 1.00 0.00 C ATOM 1343 C VAL A 84 -0.927 8.906 1.382 1.00 0.00 C ATOM 1344 O VAL A 84 -0.559 10.036 1.040 1.00 0.00 O ATOM 1345 CB VAL A 84 1.034 7.620 0.537 1.00 0.00 C ATOM 1346 CG1 VAL A 84 1.594 7.083 1.825 1.00 0.00 C ATOM 1347 CG2 VAL A 84 1.508 6.778 -0.638 1.00 0.00 C ATOM 0 H VAL A 84 -0.527 8.204 -1.412 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.882 6.791 1.113 1.00 0.00 H new ATOM 0 HB VAL A 84 1.399 8.637 0.392 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.682 7.052 1.764 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.295 7.730 2.650 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.212 6.077 1.996 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.598 6.759 -0.656 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.129 5.761 -0.533 1.00 0.00 H new ATOM 0 HG23 VAL A 84 1.137 7.209 -1.568 1.00 0.00 H new ATOM 1357 N ILE A 85 -1.698 8.669 2.442 1.00 0.00 N ATOM 1358 CA ILE A 85 -2.181 9.740 3.307 1.00 0.00 C ATOM 1359 C ILE A 85 -1.623 9.566 4.719 1.00 0.00 C ATOM 1360 O ILE A 85 -1.495 8.443 5.203 1.00 0.00 O ATOM 1361 CB ILE A 85 -3.726 9.773 3.380 1.00 0.00 C ATOM 1362 CG1 ILE A 85 -4.347 9.056 2.177 1.00 0.00 C ATOM 1363 CG2 ILE A 85 -4.222 11.209 3.453 1.00 0.00 C ATOM 1364 CD1 ILE A 85 -3.857 9.576 0.844 1.00 0.00 C ATOM 0 H ILE A 85 -2.003 7.737 2.722 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.837 10.680 2.877 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.034 9.249 4.285 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.126 7.991 2.246 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -5.431 9.160 2.222 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -5.311 11.216 3.504 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -3.814 11.690 4.342 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.897 11.752 2.565 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -4.339 9.022 0.038 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.102 10.634 0.754 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.777 9.447 0.778 1.00 0.00 H new ATOM 1376 N PRO A 86 -1.279 10.671 5.402 1.00 0.00 N ATOM 1377 CA PRO A 86 -0.729 10.618 6.759 1.00 0.00 C ATOM 1378 C PRO A 86 -1.802 10.477 7.834 1.00 0.00 C ATOM 1379 O PRO A 86 -1.673 11.035 8.925 1.00 0.00 O ATOM 1380 CB PRO A 86 -0.030 11.966 6.885 1.00 0.00 C ATOM 1381 CG PRO A 86 -0.858 12.885 6.056 1.00 0.00 C ATOM 1382 CD PRO A 86 -1.388 12.060 4.910 1.00 0.00 C ATOM 0 HA PRO A 86 -0.082 9.753 6.904 1.00 0.00 H new ATOM 0 HB2 PRO A 86 0.014 12.296 7.923 1.00 0.00 H new ATOM 0 HB3 PRO A 86 0.997 11.918 6.522 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -1.675 13.307 6.641 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -0.263 13.721 5.690 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -2.419 12.321 4.671 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.803 12.211 4.003 1.00 0.00 H new ATOM 1390 N ASN A 87 -2.858 9.730 7.530 1.00 0.00 N ATOM 1391 CA ASN A 87 -3.940 9.528 8.486 1.00 0.00 C ATOM 1392 C ASN A 87 -4.309 8.049 8.615 1.00 0.00 C ATOM 1393 O ASN A 87 -5.236 7.697 9.343 1.00 0.00 O ATOM 1394 CB ASN A 87 -5.169 10.342 8.078 1.00 0.00 C ATOM 1395 CG ASN A 87 -5.729 11.158 9.228 1.00 0.00 C ATOM 1396 OD1 ASN A 87 -6.024 12.343 9.077 1.00 0.00 O ATOM 1397 ND2 ASN A 87 -5.879 10.524 10.385 1.00 0.00 N ATOM 0 H ASN A 87 -2.987 9.257 6.635 1.00 0.00 H new ATOM 0 HA ASN A 87 -3.589 9.872 9.459 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -4.904 11.009 7.258 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -5.940 9.668 7.704 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -6.252 11.021 11.194 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -5.621 9.540 10.465 1.00 0.00 H new ATOM 1404 N LEU A 88 -3.581 7.186 7.909 1.00 0.00 N ATOM 1405 CA LEU A 88 -3.842 5.752 7.959 1.00 0.00 C ATOM 1406 C LEU A 88 -5.197 5.420 7.341 1.00 0.00 C ATOM 1407 O LEU A 88 -6.186 5.246 8.053 1.00 0.00 O ATOM 1408 CB LEU A 88 -3.792 5.250 9.405 1.00 0.00 C ATOM 1409 CG LEU A 88 -3.647 3.735 9.560 1.00 0.00 C ATOM 1410 CD1 LEU A 88 -2.229 3.297 9.225 1.00 0.00 C ATOM 1411 CD2 LEU A 88 -4.019 3.307 10.972 1.00 0.00 C ATOM 0 H LEU A 88 -2.809 7.455 7.299 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.067 5.250 7.380 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.957 5.733 9.913 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.702 5.567 9.915 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.329 3.250 8.862 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.145 2.216 9.341 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.997 3.571 8.196 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.527 3.790 9.898 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.910 2.226 11.065 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.361 3.801 11.687 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.052 3.587 11.177 1.00 0.00 H new ATOM 1423 N PRO A 89 -5.262 5.328 6.001 1.00 0.00 N ATOM 1424 CA PRO A 89 -6.496 5.017 5.280 1.00 0.00 C ATOM 1425 C PRO A 89 -6.846 3.529 5.322 1.00 0.00 C ATOM 1426 O PRO A 89 -7.586 3.037 4.471 1.00 0.00 O ATOM 1427 CB PRO A 89 -6.194 5.452 3.833 1.00 0.00 C ATOM 1428 CG PRO A 89 -4.837 6.084 3.867 1.00 0.00 C ATOM 1429 CD PRO A 89 -4.146 5.524 5.074 1.00 0.00 C ATOM 0 HA PRO A 89 -7.354 5.523 5.723 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -6.209 4.597 3.157 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -6.944 6.157 3.473 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -4.279 5.857 2.959 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -4.914 7.169 3.931 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -3.631 4.589 4.852 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -3.400 6.212 5.473 1.00 0.00 H new ATOM 1437 N VAL A 90 -6.316 2.817 6.320 1.00 0.00 N ATOM 1438 CA VAL A 90 -6.577 1.389 6.483 1.00 0.00 C ATOM 1439 C VAL A 90 -5.806 0.543 5.471 1.00 0.00 C ATOM 1440 O VAL A 90 -5.930 -0.681 5.463 1.00 0.00 O ATOM 1441 CB VAL A 90 -8.074 1.086 6.341 1.00 0.00 C ATOM 1442 CG1 VAL A 90 -8.368 -0.367 6.693 1.00 0.00 C ATOM 1443 CG2 VAL A 90 -8.898 2.037 7.202 1.00 0.00 C ATOM 0 H VAL A 90 -5.700 3.212 7.030 1.00 0.00 H new ATOM 0 HA VAL A 90 -6.238 1.127 7.485 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.358 1.241 5.300 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.436 -0.559 6.585 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -7.812 -1.023 6.023 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.067 -0.560 7.723 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -9.957 1.806 7.088 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.612 1.921 8.247 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -8.715 3.064 6.887 1.00 0.00 H new ATOM 1453 N ASN A 91 -5.020 1.195 4.618 1.00 0.00 N ATOM 1454 CA ASN A 91 -4.235 0.498 3.598 1.00 0.00 C ATOM 1455 C ASN A 91 -5.069 -0.570 2.897 1.00 0.00 C ATOM 1456 O ASN A 91 -5.118 -1.719 3.332 1.00 0.00 O ATOM 1457 CB ASN A 91 -2.981 -0.131 4.212 1.00 0.00 C ATOM 1458 CG ASN A 91 -3.299 -1.148 5.290 1.00 0.00 C ATOM 1459 OD1 ASN A 91 -3.616 -0.789 6.424 1.00 0.00 O ATOM 1460 ND2 ASN A 91 -3.212 -2.426 4.942 1.00 0.00 N ATOM 0 H ASN A 91 -4.908 2.209 4.612 1.00 0.00 H new ATOM 0 HA ASN A 91 -3.928 1.235 2.856 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -2.400 -0.612 3.426 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -2.356 0.656 4.635 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -3.412 -3.156 5.626 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.946 -2.678 3.990 1.00 0.00 H new ATOM 1467 N LEU A 92 -5.723 -0.178 1.811 1.00 0.00 N ATOM 1468 CA LEU A 92 -6.558 -1.097 1.047 1.00 0.00 C ATOM 1469 C LEU A 92 -5.990 -1.322 -0.342 1.00 0.00 C ATOM 1470 O LEU A 92 -5.625 -0.373 -1.035 1.00 0.00 O ATOM 1471 CB LEU A 92 -7.981 -0.549 0.921 1.00 0.00 C ATOM 1472 CG LEU A 92 -8.975 -1.083 1.950 1.00 0.00 C ATOM 1473 CD1 LEU A 92 -9.052 -2.600 1.875 1.00 0.00 C ATOM 1474 CD2 LEU A 92 -8.588 -0.631 3.350 1.00 0.00 C ATOM 0 H LEU A 92 -5.691 0.771 1.439 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.577 -2.046 1.582 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -7.944 0.537 1.004 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -8.355 -0.780 -0.076 1.00 0.00 H new ATOM 0 HG LEU A 92 -9.961 -0.678 1.722 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -9.765 -2.965 2.615 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -9.378 -2.899 0.879 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -8.069 -3.025 2.078 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.307 -1.021 4.070 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -7.593 -1.006 3.591 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -8.585 0.458 3.393 1.00 0.00 H new ATOM 1486 N TRP A 93 -5.950 -2.575 -0.759 1.00 0.00 N ATOM 1487 CA TRP A 93 -5.460 -2.907 -2.082 1.00 0.00 C ATOM 1488 C TRP A 93 -6.579 -2.724 -3.091 1.00 0.00 C ATOM 1489 O TRP A 93 -7.753 -2.656 -2.724 1.00 0.00 O ATOM 1490 CB TRP A 93 -4.931 -4.336 -2.123 1.00 0.00 C ATOM 1491 CG TRP A 93 -3.509 -4.461 -2.603 1.00 0.00 C ATOM 1492 CD1 TRP A 93 -2.940 -5.580 -3.141 1.00 0.00 C ATOM 1493 CD2 TRP A 93 -2.478 -3.452 -2.599 1.00 0.00 C ATOM 1494 NE1 TRP A 93 -1.633 -5.336 -3.477 1.00 0.00 N ATOM 1495 CE2 TRP A 93 -1.326 -4.042 -3.159 1.00 0.00 C ATOM 1496 CE3 TRP A 93 -2.407 -2.113 -2.186 1.00 0.00 C ATOM 1497 CZ2 TRP A 93 -0.131 -3.345 -3.318 1.00 0.00 C ATOM 1498 CZ3 TRP A 93 -1.217 -1.426 -2.346 1.00 0.00 C ATOM 1499 CH2 TRP A 93 -0.098 -2.043 -2.908 1.00 0.00 C ATOM 0 H TRP A 93 -6.250 -3.375 -0.202 1.00 0.00 H new ATOM 0 HA TRP A 93 -4.635 -2.241 -2.333 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -5.003 -4.766 -1.124 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -5.574 -4.930 -2.773 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -3.447 -6.523 -3.282 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -0.993 -6.011 -3.896 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -3.267 -1.627 -1.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 0.739 -3.817 -3.750 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -1.153 -0.395 -2.031 1.00 0.00 H new ATOM 0 HH2 TRP A 93 0.815 -1.477 -3.021 1.00 0.00 H new ATOM 1510 N GLY A 94 -6.214 -2.624 -4.354 1.00 0.00 N ATOM 1511 CA GLY A 94 -7.202 -2.426 -5.388 1.00 0.00 C ATOM 1512 C GLY A 94 -7.820 -3.725 -5.872 1.00 0.00 C ATOM 1513 O GLY A 94 -7.269 -4.804 -5.657 1.00 0.00 O ATOM 0 H GLY A 94 -5.250 -2.676 -4.684 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -7.989 -1.774 -5.011 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -6.740 -1.913 -6.231 1.00 0.00 H new ATOM 1517 N ARG A 95 -8.977 -3.617 -6.520 1.00 0.00 N ATOM 1518 CA ARG A 95 -9.689 -4.785 -7.032 1.00 0.00 C ATOM 1519 C ARG A 95 -8.842 -5.560 -8.038 1.00 0.00 C ATOM 1520 O ARG A 95 -8.884 -6.789 -8.076 1.00 0.00 O ATOM 1521 CB ARG A 95 -11.007 -4.352 -7.681 1.00 0.00 C ATOM 1522 CG ARG A 95 -11.785 -5.492 -8.322 1.00 0.00 C ATOM 1523 CD ARG A 95 -12.979 -5.903 -7.472 1.00 0.00 C ATOM 1524 NE ARG A 95 -13.916 -4.800 -7.273 1.00 0.00 N ATOM 1525 CZ ARG A 95 -15.217 -4.961 -7.038 1.00 0.00 C ATOM 1526 NH1 ARG A 95 -15.742 -6.179 -6.961 1.00 0.00 N ATOM 1527 NH2 ARG A 95 -15.996 -3.902 -6.876 1.00 0.00 N ATOM 0 H ARG A 95 -9.443 -2.729 -6.704 1.00 0.00 H new ATOM 0 HA ARG A 95 -9.898 -5.445 -6.190 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -11.634 -3.878 -6.926 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.796 -3.598 -8.439 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -12.129 -5.188 -9.311 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -11.126 -6.349 -8.463 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -13.495 -6.735 -7.951 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -12.629 -6.260 -6.504 1.00 0.00 H new ATOM 0 HE ARG A 95 -13.552 -3.848 -7.317 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -15.148 -6.999 -7.082 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -16.739 -6.294 -6.781 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -15.599 -2.964 -6.931 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -16.992 -4.025 -6.696 1.00 0.00 H new ATOM 1541 N ASP A 96 -8.084 -4.842 -8.859 1.00 0.00 N ATOM 1542 CA ASP A 96 -7.242 -5.477 -9.867 1.00 0.00 C ATOM 1543 C ASP A 96 -6.239 -6.432 -9.226 1.00 0.00 C ATOM 1544 O ASP A 96 -6.108 -7.585 -9.642 1.00 0.00 O ATOM 1545 CB ASP A 96 -6.502 -4.416 -10.682 1.00 0.00 C ATOM 1546 CG ASP A 96 -6.230 -4.865 -12.105 1.00 0.00 C ATOM 1547 OD1 ASP A 96 -7.202 -5.027 -12.872 1.00 0.00 O ATOM 1548 OD2 ASP A 96 -5.045 -5.055 -12.451 1.00 0.00 O ATOM 0 H ASP A 96 -8.035 -3.823 -8.847 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.888 -6.054 -10.529 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -7.091 -3.499 -10.700 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -5.558 -4.179 -10.192 1.00 0.00 H new ATOM 1553 N LEU A 97 -5.532 -5.944 -8.215 1.00 0.00 N ATOM 1554 CA LEU A 97 -4.536 -6.744 -7.516 1.00 0.00 C ATOM 1555 C LEU A 97 -5.177 -7.895 -6.754 1.00 0.00 C ATOM 1556 O LEU A 97 -4.764 -9.043 -6.895 1.00 0.00 O ATOM 1557 CB LEU A 97 -3.735 -5.866 -6.570 1.00 0.00 C ATOM 1558 CG LEU A 97 -2.638 -5.061 -7.254 1.00 0.00 C ATOM 1559 CD1 LEU A 97 -3.234 -3.874 -7.988 1.00 0.00 C ATOM 1560 CD2 LEU A 97 -1.608 -4.613 -6.241 1.00 0.00 C ATOM 0 H LEU A 97 -5.631 -4.993 -7.860 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.867 -7.174 -8.261 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.414 -5.180 -6.065 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.285 -6.494 -5.801 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.139 -5.695 -7.987 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.438 -3.308 -8.472 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.937 -4.228 -8.742 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.756 -3.232 -7.278 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.830 -4.039 -6.743 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.088 -3.991 -5.485 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.164 -5.486 -5.763 1.00 0.00 H new ATOM 1572 N LEU A 98 -6.188 -7.589 -5.946 1.00 0.00 N ATOM 1573 CA LEU A 98 -6.872 -8.618 -5.173 1.00 0.00 C ATOM 1574 C LEU A 98 -7.420 -9.702 -6.094 1.00 0.00 C ATOM 1575 O LEU A 98 -7.294 -10.893 -5.810 1.00 0.00 O ATOM 1576 CB LEU A 98 -8.001 -8.007 -4.335 1.00 0.00 C ATOM 1577 CG LEU A 98 -7.569 -6.932 -3.327 1.00 0.00 C ATOM 1578 CD1 LEU A 98 -8.467 -6.963 -2.104 1.00 0.00 C ATOM 1579 CD2 LEU A 98 -6.118 -7.119 -2.913 1.00 0.00 C ATOM 0 H LEU A 98 -6.549 -6.645 -5.811 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.149 -9.072 -4.495 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.737 -7.572 -5.011 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.502 -8.809 -3.792 1.00 0.00 H new ATOM 0 HG LEU A 98 -7.663 -5.961 -3.813 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.148 -6.195 -1.399 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -9.498 -6.774 -2.404 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -8.401 -7.942 -1.629 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -5.841 -6.344 -2.199 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.995 -8.099 -2.451 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.477 -7.049 -3.792 1.00 0.00 H new ATOM 1591 N SER A 99 -8.013 -9.279 -7.208 1.00 0.00 N ATOM 1592 CA SER A 99 -8.567 -10.210 -8.187 1.00 0.00 C ATOM 1593 C SER A 99 -7.523 -11.248 -8.584 1.00 0.00 C ATOM 1594 O SER A 99 -7.782 -12.452 -8.560 1.00 0.00 O ATOM 1595 CB SER A 99 -9.043 -9.450 -9.426 1.00 0.00 C ATOM 1596 OG SER A 99 -10.427 -9.161 -9.347 1.00 0.00 O ATOM 0 H SER A 99 -8.122 -8.295 -7.455 1.00 0.00 H new ATOM 0 HA SER A 99 -9.417 -10.722 -7.736 1.00 0.00 H new ATOM 0 HB2 SER A 99 -8.480 -8.522 -9.526 1.00 0.00 H new ATOM 0 HB3 SER A 99 -8.842 -10.042 -10.319 1.00 0.00 H new ATOM 0 HG SER A 99 -10.706 -8.673 -10.150 1.00 0.00 H new ATOM 1602 N GLN A 100 -6.341 -10.763 -8.944 1.00 0.00 N ATOM 1603 CA GLN A 100 -5.238 -11.625 -9.352 1.00 0.00 C ATOM 1604 C GLN A 100 -4.714 -12.449 -8.182 1.00 0.00 C ATOM 1605 O GLN A 100 -4.676 -13.677 -8.244 1.00 0.00 O ATOM 1606 CB GLN A 100 -4.108 -10.770 -9.918 1.00 0.00 C ATOM 1607 CG GLN A 100 -4.059 -10.750 -11.435 1.00 0.00 C ATOM 1608 CD GLN A 100 -3.123 -9.686 -11.973 1.00 0.00 C ATOM 1609 OE1 GLN A 100 -1.929 -9.926 -12.153 1.00 0.00 O ATOM 1610 NE2 GLN A 100 -3.661 -8.499 -12.230 1.00 0.00 N ATOM 0 H GLN A 100 -6.120 -9.767 -8.962 1.00 0.00 H new ATOM 0 HA GLN A 100 -5.607 -12.312 -10.113 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -4.219 -9.749 -9.553 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -3.157 -11.142 -9.537 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -3.740 -11.727 -11.798 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -5.062 -10.578 -11.825 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -4.656 -8.344 -12.066 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -3.079 -7.743 -12.591 1.00 0.00 H new ATOM 1619 N MET A 101 -4.296 -11.754 -7.125 1.00 0.00 N ATOM 1620 CA MET A 101 -3.749 -12.395 -5.926 1.00 0.00 C ATOM 1621 C MET A 101 -4.408 -13.743 -5.644 1.00 0.00 C ATOM 1622 O MET A 101 -3.745 -14.780 -5.650 1.00 0.00 O ATOM 1623 CB MET A 101 -3.914 -11.477 -4.716 1.00 0.00 C ATOM 1624 CG MET A 101 -2.768 -11.574 -3.722 1.00 0.00 C ATOM 1625 SD MET A 101 -3.245 -11.060 -2.063 1.00 0.00 S ATOM 1626 CE MET A 101 -3.689 -9.350 -2.351 1.00 0.00 C ATOM 0 H MET A 101 -4.326 -10.736 -7.074 1.00 0.00 H new ATOM 0 HA MET A 101 -2.690 -12.575 -6.110 1.00 0.00 H new ATOM 0 HB2 MET A 101 -4.000 -10.446 -5.061 1.00 0.00 H new ATOM 0 HB3 MET A 101 -4.847 -11.722 -4.208 1.00 0.00 H new ATOM 0 HG2 MET A 101 -2.406 -12.602 -3.690 1.00 0.00 H new ATOM 0 HG3 MET A 101 -1.940 -10.955 -4.066 1.00 0.00 H new ATOM 0 HE1 MET A 101 -4.024 -8.899 -1.417 1.00 0.00 H new ATOM 0 HE2 MET A 101 -2.821 -8.807 -2.726 1.00 0.00 H new ATOM 0 HE3 MET A 101 -4.492 -9.302 -3.086 1.00 0.00 H new ATOM 1636 N LYS A 102 -5.713 -13.726 -5.395 1.00 0.00 N ATOM 1637 CA LYS A 102 -6.445 -14.956 -5.112 1.00 0.00 C ATOM 1638 C LYS A 102 -7.932 -14.680 -4.907 1.00 0.00 C ATOM 1639 O LYS A 102 -8.559 -15.244 -4.011 1.00 0.00 O ATOM 1640 CB LYS A 102 -5.858 -15.641 -3.873 1.00 0.00 C ATOM 1641 CG LYS A 102 -5.172 -16.963 -4.178 1.00 0.00 C ATOM 1642 CD LYS A 102 -6.176 -18.098 -4.290 1.00 0.00 C ATOM 1643 CE LYS A 102 -5.510 -19.389 -4.737 1.00 0.00 C ATOM 1644 NZ LYS A 102 -4.811 -19.233 -6.044 1.00 0.00 N ATOM 0 H LYS A 102 -6.283 -12.880 -5.383 1.00 0.00 H new ATOM 0 HA LYS A 102 -6.342 -15.618 -5.972 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -5.141 -14.969 -3.402 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -6.656 -15.813 -3.151 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -4.612 -16.877 -5.110 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -4.451 -17.190 -3.393 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -6.661 -18.252 -3.326 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -6.957 -17.826 -5.000 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -4.795 -19.709 -3.979 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -6.261 -20.175 -4.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -4.653 -20.170 -6.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -5.396 -18.658 -6.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -3.896 -18.762 -5.894 1.00 0.00 H new