USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 578 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 5 ASN : amide:sc= -8.28! C(o=-30!,f=-12!) USER MOD Set 1.2: A 42 ASN : amide:sc= -21.8! C(o=-30!,f=-12!) USER MOD Single : A 6 THR OG1 : rot 57:sc= 0.165 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -15.2! C(o=-15!,f=-18!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -154:sc= -4.89! (180deg=-6.1!) USER MOD Single : A 28 THR OG1 : rot 76:sc= 0.187 USER MOD Single : A 29 ASN : amide:sc= -2.96 K(o=-3,f=-2.4) USER MOD Single : A 39 MET CE :methyl -151:sc= -9.24! (180deg=-12.3!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -3.86! C(o=-3.9!,f=-1.8!) USER MOD Single : A 55 LYS NZ :NH3+ -141:sc= -3.09! (180deg=-6.27!) USER MOD Single : A 58 ASN : amide:sc= -2.67! C(o=-2.7!,f=-1.2!) USER MOD Single : A 65 LYS NZ :NH3+ -105:sc= -0.246! (180deg=-2.84!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.177 K(o=-0.18,f=-0.79) USER MOD ----------------------------------------------------------------- ATOM 63 N ASP A 4 -3.187 7.942 -6.215 1.00 0.00 N ATOM 64 CA ASP A 4 -4.393 8.659 -5.851 1.00 0.00 C ATOM 65 C ASP A 4 -5.485 8.384 -6.874 1.00 0.00 C ATOM 66 O ASP A 4 -5.271 8.548 -8.073 1.00 0.00 O ATOM 67 CB ASP A 4 -4.090 10.153 -5.771 1.00 0.00 C ATOM 68 CG ASP A 4 -3.141 10.575 -6.884 1.00 0.00 C ATOM 69 OD1 ASP A 4 -3.636 10.740 -8.020 1.00 0.00 O ATOM 70 OD2 ASP A 4 -1.938 10.726 -6.577 1.00 0.00 O ATOM 0 HA ASP A 4 -4.743 8.320 -4.876 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -5.018 10.721 -5.844 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -3.648 10.387 -4.803 1.00 0.00 H new ATOM 75 N ASN A 5 -6.659 7.963 -6.398 1.00 0.00 N ATOM 76 CA ASN A 5 -7.776 7.668 -7.273 1.00 0.00 C ATOM 77 C ASN A 5 -7.292 6.883 -8.484 1.00 0.00 C ATOM 78 O ASN A 5 -7.945 6.875 -9.526 1.00 0.00 O ATOM 79 CB ASN A 5 -8.440 8.972 -7.705 1.00 0.00 C ATOM 80 CG ASN A 5 -8.088 10.103 -6.749 1.00 0.00 C ATOM 81 OD1 ASN A 5 -7.971 11.255 -7.164 1.00 0.00 O ATOM 82 ND2 ASN A 5 -7.920 9.773 -5.467 1.00 0.00 N ATOM 0 H ASN A 5 -6.853 7.821 -5.407 1.00 0.00 H new ATOM 0 HA ASN A 5 -8.508 7.060 -6.741 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -8.120 9.231 -8.714 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -9.522 8.841 -7.737 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -7.684 10.491 -4.782 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -8.028 8.803 -5.172 1.00 0.00 H new ATOM 89 N THR A 6 -6.142 6.219 -8.345 1.00 0.00 N ATOM 90 CA THR A 6 -5.580 5.435 -9.426 1.00 0.00 C ATOM 91 C THR A 6 -6.214 4.051 -9.447 1.00 0.00 C ATOM 92 O THR A 6 -5.585 3.070 -9.055 1.00 0.00 O ATOM 93 CB THR A 6 -4.068 5.334 -9.246 1.00 0.00 C ATOM 94 OG1 THR A 6 -3.776 4.979 -7.914 1.00 0.00 O ATOM 95 CG2 THR A 6 -3.427 6.682 -9.566 1.00 0.00 C ATOM 0 H THR A 6 -5.587 6.214 -7.489 1.00 0.00 H new ATOM 0 HA THR A 6 -5.789 5.921 -10.379 1.00 0.00 H new ATOM 0 HB THR A 6 -3.672 4.574 -9.919 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.235 4.142 -7.690 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.347 6.611 -9.438 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.653 6.957 -10.596 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.823 7.442 -8.893 1.00 0.00 H new ATOM 103 N CYS A 7 -7.465 3.976 -9.907 1.00 0.00 N ATOM 104 CA CYS A 7 -8.179 2.717 -9.979 1.00 0.00 C ATOM 105 C CYS A 7 -8.010 2.108 -11.363 1.00 0.00 C ATOM 106 O CYS A 7 -6.922 2.147 -11.932 1.00 0.00 O ATOM 107 CB CYS A 7 -9.654 2.951 -9.667 1.00 0.00 C ATOM 108 SG CYS A 7 -10.096 2.653 -7.937 1.00 0.00 S ATOM 0 H CYS A 7 -7.999 4.781 -10.234 1.00 0.00 H new ATOM 0 HA CYS A 7 -7.773 2.021 -9.245 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -9.911 3.978 -9.925 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -10.257 2.302 -10.302 1.00 0.00 H new ATOM 113 N ARG A 8 -9.093 1.543 -11.905 1.00 0.00 N ATOM 114 CA ARG A 8 -9.059 0.929 -13.216 1.00 0.00 C ATOM 115 C ARG A 8 -10.386 0.235 -13.494 1.00 0.00 C ATOM 116 O ARG A 8 -10.824 0.163 -14.640 1.00 0.00 O ATOM 117 CB ARG A 8 -7.905 -0.067 -13.281 1.00 0.00 C ATOM 118 CG ARG A 8 -8.139 -1.043 -14.431 1.00 0.00 C ATOM 119 CD ARG A 8 -7.974 -0.311 -15.760 1.00 0.00 C ATOM 120 NE ARG A 8 -6.932 -0.935 -16.577 1.00 0.00 N ATOM 121 CZ ARG A 8 -7.186 -1.512 -17.760 1.00 0.00 C ATOM 122 NH1 ARG A 8 -8.436 -1.533 -18.241 1.00 0.00 N ATOM 123 NH2 ARG A 8 -6.189 -2.068 -18.461 1.00 0.00 N ATOM 0 H ARG A 8 -10.003 1.503 -11.446 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.904 1.694 -13.977 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -6.962 0.461 -13.424 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.826 -0.610 -12.339 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -7.433 -1.871 -14.369 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.139 -1.471 -14.361 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -8.919 -0.318 -16.303 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.720 0.733 -15.575 1.00 0.00 H new ATOM 0 HE ARG A 8 -5.972 -0.931 -16.232 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -9.195 -1.110 -17.707 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -8.629 -1.972 -19.141 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -5.237 -2.052 -18.095 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -6.382 -2.507 -19.361 1.00 0.00 H new ATOM 137 N GLY A 9 -11.026 -0.275 -12.440 1.00 0.00 N ATOM 138 CA GLY A 9 -12.297 -0.958 -12.580 1.00 0.00 C ATOM 139 C GLY A 9 -13.433 -0.058 -12.117 1.00 0.00 C ATOM 140 O GLY A 9 -14.604 -0.393 -12.285 1.00 0.00 O ATOM 0 H GLY A 9 -10.678 -0.224 -11.483 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -12.451 -1.244 -13.620 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -12.290 -1.877 -11.994 1.00 0.00 H new ATOM 144 N VAL A 10 -13.084 1.090 -11.531 1.00 0.00 N ATOM 145 CA VAL A 10 -14.072 2.033 -11.046 1.00 0.00 C ATOM 146 C VAL A 10 -15.118 2.282 -12.123 1.00 0.00 C ATOM 147 O VAL A 10 -16.193 2.805 -11.839 1.00 0.00 O ATOM 148 CB VAL A 10 -13.380 3.335 -10.652 1.00 0.00 C ATOM 149 CG1 VAL A 10 -12.605 3.882 -11.847 1.00 0.00 C ATOM 150 CG2 VAL A 10 -14.428 4.355 -10.216 1.00 0.00 C ATOM 0 H VAL A 10 -12.118 1.382 -11.384 1.00 0.00 H new ATOM 0 HA VAL A 10 -14.573 1.623 -10.169 1.00 0.00 H new ATOM 0 HB VAL A 10 -12.691 3.146 -9.829 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -12.111 4.812 -11.565 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -11.857 3.154 -12.160 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -13.293 4.072 -12.671 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.935 5.285 -9.934 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -15.116 4.544 -11.040 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -14.982 3.965 -9.362 1.00 0.00 H new ATOM 160 N MET A 11 -14.801 1.905 -13.364 1.00 0.00 N ATOM 161 CA MET A 11 -15.714 2.090 -14.474 1.00 0.00 C ATOM 162 C MET A 11 -16.610 0.869 -14.618 1.00 0.00 C ATOM 163 O MET A 11 -17.742 0.975 -15.083 1.00 0.00 O ATOM 164 CB MET A 11 -14.916 2.328 -15.753 1.00 0.00 C ATOM 165 CG MET A 11 -14.018 1.124 -16.024 1.00 0.00 C ATOM 166 SD MET A 11 -13.927 0.653 -17.769 1.00 0.00 S ATOM 167 CE MET A 11 -15.071 -0.750 -17.749 1.00 0.00 C ATOM 0 H MET A 11 -13.914 1.469 -13.617 1.00 0.00 H new ATOM 0 HA MET A 11 -16.346 2.958 -14.287 1.00 0.00 H new ATOM 0 HB2 MET A 11 -15.593 2.487 -16.592 1.00 0.00 H new ATOM 0 HB3 MET A 11 -14.313 3.230 -15.655 1.00 0.00 H new ATOM 0 HG2 MET A 11 -13.013 1.345 -15.665 1.00 0.00 H new ATOM 0 HG3 MET A 11 -14.383 0.274 -15.447 1.00 0.00 H new ATOM 0 HE1 MET A 11 -15.144 -1.174 -18.750 1.00 0.00 H new ATOM 0 HE2 MET A 11 -14.703 -1.509 -17.059 1.00 0.00 H new ATOM 0 HE3 MET A 11 -16.056 -0.412 -17.426 1.00 0.00 H new ATOM 177 N GLY A 12 -16.098 -0.297 -14.216 1.00 0.00 N ATOM 178 CA GLY A 12 -16.854 -1.530 -14.303 1.00 0.00 C ATOM 179 C GLY A 12 -17.656 -1.749 -13.027 1.00 0.00 C ATOM 180 O GLY A 12 -18.842 -2.065 -13.081 1.00 0.00 O ATOM 0 H GLY A 12 -15.161 -0.404 -13.828 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -17.525 -1.493 -15.161 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -16.177 -2.369 -14.464 1.00 0.00 H new ATOM 184 N ASN A 13 -17.002 -1.579 -11.876 1.00 0.00 N ATOM 185 CA ASN A 13 -17.654 -1.757 -10.595 1.00 0.00 C ATOM 186 C ASN A 13 -18.991 -1.030 -10.587 1.00 0.00 C ATOM 187 O ASN A 13 -20.044 -1.659 -10.510 1.00 0.00 O ATOM 188 CB ASN A 13 -16.747 -1.232 -9.486 1.00 0.00 C ATOM 189 CG ASN A 13 -15.481 -2.069 -9.378 1.00 0.00 C ATOM 190 OD1 ASN A 13 -15.355 -2.893 -8.475 1.00 0.00 O ATOM 191 ND2 ASN A 13 -14.541 -1.857 -10.302 1.00 0.00 N ATOM 0 H ASN A 13 -16.018 -1.317 -11.814 1.00 0.00 H new ATOM 0 HA ASN A 13 -17.840 -2.817 -10.424 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -16.485 -0.193 -9.686 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -17.281 -1.248 -8.536 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -13.672 -2.391 -10.277 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -14.692 -1.161 -11.033 1.00 0.00 H new ATOM 198 N ARG A 14 -18.946 0.302 -10.669 1.00 0.00 N ATOM 199 CA ARG A 14 -20.149 1.110 -10.671 1.00 0.00 C ATOM 200 C ARG A 14 -21.114 0.599 -9.611 1.00 0.00 C ATOM 201 O ARG A 14 -22.308 0.886 -9.665 1.00 0.00 O ATOM 202 CB ARG A 14 -20.790 1.061 -12.055 1.00 0.00 C ATOM 203 CG ARG A 14 -19.820 1.633 -13.085 1.00 0.00 C ATOM 204 CD ARG A 14 -20.346 1.351 -14.490 1.00 0.00 C ATOM 205 NE ARG A 14 -20.369 -0.086 -14.764 1.00 0.00 N ATOM 206 CZ ARG A 14 -20.588 -0.588 -15.987 1.00 0.00 C ATOM 207 NH1 ARG A 14 -20.797 0.237 -17.022 1.00 0.00 N ATOM 208 NH2 ARG A 14 -20.598 -1.915 -16.175 1.00 0.00 N ATOM 0 H ARG A 14 -18.081 0.838 -10.735 1.00 0.00 H new ATOM 0 HA ARG A 14 -19.899 2.145 -10.437 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -21.047 0.033 -12.313 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -21.719 1.632 -12.058 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -19.706 2.707 -12.936 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -18.833 1.187 -12.958 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -21.351 1.761 -14.595 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -19.718 1.855 -15.225 1.00 0.00 H new ATOM 0 HE ARG A 14 -20.212 -0.733 -13.991 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -20.789 1.247 -16.879 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -20.964 -0.145 -17.953 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -20.439 -2.543 -15.387 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -20.765 -2.297 -17.106 1.00 0.00 H new ATOM 222 N ASP A 15 -20.594 -0.161 -8.645 1.00 0.00 N ATOM 223 CA ASP A 15 -21.411 -0.708 -7.580 1.00 0.00 C ATOM 224 C ASP A 15 -20.719 -0.496 -6.240 1.00 0.00 C ATOM 225 O ASP A 15 -21.378 -0.249 -5.232 1.00 0.00 O ATOM 226 CB ASP A 15 -21.652 -2.193 -7.836 1.00 0.00 C ATOM 227 CG ASP A 15 -23.119 -2.461 -8.140 1.00 0.00 C ATOM 228 OD1 ASP A 15 -23.898 -2.531 -7.165 1.00 0.00 O ATOM 229 OD2 ASP A 15 -23.434 -2.589 -9.343 1.00 0.00 O ATOM 0 H ASP A 15 -19.606 -0.408 -8.586 1.00 0.00 H new ATOM 0 HA ASP A 15 -22.374 -0.197 -7.555 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -21.037 -2.527 -8.672 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -21.346 -2.771 -6.964 1.00 0.00 H new ATOM 234 N ILE A 16 -19.388 -0.594 -6.232 1.00 0.00 N ATOM 235 CA ILE A 16 -18.614 -0.412 -5.020 1.00 0.00 C ATOM 236 C ILE A 16 -18.239 1.055 -4.864 1.00 0.00 C ATOM 237 O ILE A 16 -17.762 1.466 -3.809 1.00 0.00 O ATOM 238 CB ILE A 16 -17.365 -1.287 -5.079 1.00 0.00 C ATOM 239 CG1 ILE A 16 -17.724 -2.648 -5.669 1.00 0.00 C ATOM 240 CG2 ILE A 16 -16.808 -1.474 -3.671 1.00 0.00 C ATOM 241 CD1 ILE A 16 -16.464 -3.502 -5.781 1.00 0.00 C ATOM 0 H ILE A 16 -18.829 -0.800 -7.060 1.00 0.00 H new ATOM 0 HA ILE A 16 -19.208 -0.708 -4.156 1.00 0.00 H new ATOM 0 HB ILE A 16 -16.614 -0.806 -5.706 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -18.460 -3.147 -5.038 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -18.179 -2.522 -6.651 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -15.916 -2.099 -3.713 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -16.551 -0.502 -3.249 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -17.559 -1.955 -3.044 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -16.720 -4.474 -6.202 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -15.743 -3.004 -6.429 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -16.028 -3.639 -4.791 1.00 0.00 H new ATOM 253 N TYR A 17 -18.456 1.844 -5.918 1.00 0.00 N ATOM 254 CA TYR A 17 -18.138 3.258 -5.891 1.00 0.00 C ATOM 255 C TYR A 17 -19.213 4.013 -5.122 1.00 0.00 C ATOM 256 O TYR A 17 -18.934 5.041 -4.508 1.00 0.00 O ATOM 257 CB TYR A 17 -18.028 3.780 -7.321 1.00 0.00 C ATOM 258 CG TYR A 17 -17.202 5.039 -7.440 1.00 0.00 C ATOM 259 CD1 TYR A 17 -15.806 4.970 -7.361 1.00 0.00 C ATOM 260 CD2 TYR A 17 -17.833 6.274 -7.631 1.00 0.00 C ATOM 261 CE1 TYR A 17 -15.041 6.137 -7.471 1.00 0.00 C ATOM 262 CE2 TYR A 17 -17.067 7.441 -7.741 1.00 0.00 C ATOM 263 CZ TYR A 17 -15.671 7.373 -7.661 1.00 0.00 C ATOM 264 OH TYR A 17 -14.926 8.510 -7.768 1.00 0.00 O ATOM 0 H TYR A 17 -18.852 1.519 -6.800 1.00 0.00 H new ATOM 0 HA TYR A 17 -17.184 3.412 -5.387 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -17.588 3.006 -7.949 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -19.029 3.974 -7.707 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -15.320 4.017 -7.215 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -18.910 6.327 -7.693 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -13.964 6.084 -7.409 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -17.553 8.394 -7.888 1.00 0.00 H new ATOM 0 HH TYR A 17 -15.520 9.279 -7.898 1.00 0.00 H new ATOM 274 N LYS A 18 -20.445 3.501 -5.157 1.00 0.00 N ATOM 275 CA LYS A 18 -21.552 4.129 -4.465 1.00 0.00 C ATOM 276 C LYS A 18 -21.483 3.807 -2.978 1.00 0.00 C ATOM 277 O LYS A 18 -21.623 4.695 -2.140 1.00 0.00 O ATOM 278 CB LYS A 18 -22.868 3.640 -5.063 1.00 0.00 C ATOM 279 CG LYS A 18 -22.937 4.037 -6.534 1.00 0.00 C ATOM 280 CD LYS A 18 -24.011 3.211 -7.236 1.00 0.00 C ATOM 281 CE LYS A 18 -25.391 3.717 -6.826 1.00 0.00 C ATOM 282 NZ LYS A 18 -26.200 2.634 -6.246 1.00 0.00 N ATOM 0 H LYS A 18 -20.693 2.650 -5.661 1.00 0.00 H new ATOM 0 HA LYS A 18 -21.493 5.211 -4.585 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -22.945 2.557 -4.964 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -23.709 4.070 -4.519 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -23.164 5.099 -6.624 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -21.970 3.876 -7.011 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -23.892 3.283 -8.317 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -23.905 2.158 -6.973 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -25.285 4.525 -6.102 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -25.902 4.133 -7.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -27.133 3.005 -5.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -26.319 1.875 -6.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -25.721 2.255 -5.404 1.00 0.00 H new ATOM 296 N LYS A 19 -21.267 2.530 -2.654 1.00 0.00 N ATOM 297 CA LYS A 19 -21.181 2.098 -1.273 1.00 0.00 C ATOM 298 C LYS A 19 -20.026 2.807 -0.580 1.00 0.00 C ATOM 299 O LYS A 19 -20.183 3.323 0.524 1.00 0.00 O ATOM 300 CB LYS A 19 -20.992 0.584 -1.226 1.00 0.00 C ATOM 301 CG LYS A 19 -22.009 -0.083 -2.147 1.00 0.00 C ATOM 302 CD LYS A 19 -21.717 -1.579 -2.228 1.00 0.00 C ATOM 303 CE LYS A 19 -20.223 -1.795 -2.448 1.00 0.00 C ATOM 304 NZ LYS A 19 -19.982 -2.758 -3.533 1.00 0.00 N ATOM 0 H LYS A 19 -21.149 1.782 -3.337 1.00 0.00 H new ATOM 0 HA LYS A 19 -22.103 2.353 -0.750 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -19.980 0.323 -1.535 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -21.117 0.222 -0.205 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -23.019 0.082 -1.771 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -21.962 0.362 -3.141 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -22.035 -2.073 -1.310 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -22.284 -2.027 -3.044 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -19.746 -0.845 -2.688 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -19.765 -2.157 -1.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -19.061 -3.219 -3.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -20.733 -3.478 -3.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -19.982 -2.260 -4.446 1.00 0.00 H new ATOM 318 N VAL A 20 -18.861 2.830 -1.232 1.00 0.00 N ATOM 319 CA VAL A 20 -17.687 3.473 -0.679 1.00 0.00 C ATOM 320 C VAL A 20 -17.999 4.929 -0.361 1.00 0.00 C ATOM 321 O VAL A 20 -18.111 5.301 0.805 1.00 0.00 O ATOM 322 CB VAL A 20 -16.535 3.372 -1.675 1.00 0.00 C ATOM 323 CG1 VAL A 20 -16.088 1.917 -1.790 1.00 0.00 C ATOM 324 CG2 VAL A 20 -16.999 3.871 -3.040 1.00 0.00 C ATOM 0 H VAL A 20 -18.715 2.406 -2.148 1.00 0.00 H new ATOM 0 HA VAL A 20 -17.395 2.974 0.245 1.00 0.00 H new ATOM 0 HB VAL A 20 -15.700 3.982 -1.329 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -15.265 1.844 -2.501 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -15.757 1.560 -0.815 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -16.922 1.306 -2.136 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -16.177 3.799 -3.752 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -17.833 3.261 -3.386 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -17.319 4.910 -2.958 1.00 0.00 H new ATOM 334 N VAL A 21 -18.139 5.752 -1.402 1.00 0.00 N ATOM 335 CA VAL A 21 -18.437 7.160 -1.230 1.00 0.00 C ATOM 336 C VAL A 21 -19.485 7.334 -0.140 1.00 0.00 C ATOM 337 O VAL A 21 -19.564 8.389 0.486 1.00 0.00 O ATOM 338 CB VAL A 21 -18.930 7.740 -2.552 1.00 0.00 C ATOM 339 CG1 VAL A 21 -20.431 7.500 -2.686 1.00 0.00 C ATOM 340 CG2 VAL A 21 -18.650 9.240 -2.584 1.00 0.00 C ATOM 0 H VAL A 21 -18.049 5.458 -2.374 1.00 0.00 H new ATOM 0 HA VAL A 21 -17.535 7.693 -0.929 1.00 0.00 H new ATOM 0 HB VAL A 21 -18.410 7.255 -3.378 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -20.783 7.915 -3.631 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -20.632 6.429 -2.663 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -20.952 7.985 -1.861 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -19.002 9.656 -3.528 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -19.170 9.725 -1.758 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -17.578 9.412 -2.489 1.00 0.00 H new ATOM 350 N ARG A 22 -20.292 6.295 0.087 1.00 0.00 N ATOM 351 CA ARG A 22 -21.329 6.338 1.097 1.00 0.00 C ATOM 352 C ARG A 22 -20.734 6.021 2.462 1.00 0.00 C ATOM 353 O ARG A 22 -21.072 6.664 3.454 1.00 0.00 O ATOM 354 CB ARG A 22 -22.427 5.339 0.741 1.00 0.00 C ATOM 355 CG ARG A 22 -23.681 5.651 1.552 1.00 0.00 C ATOM 356 CD ARG A 22 -24.610 6.541 0.731 1.00 0.00 C ATOM 357 NE ARG A 22 -25.875 5.863 0.450 1.00 0.00 N ATOM 358 CZ ARG A 22 -26.849 6.418 -0.285 1.00 0.00 C ATOM 359 NH1 ARG A 22 -26.684 7.645 -0.798 1.00 0.00 N ATOM 360 NH2 ARG A 22 -27.987 5.746 -0.506 1.00 0.00 N ATOM 0 H ARG A 22 -20.239 5.413 -0.423 1.00 0.00 H new ATOM 0 HA ARG A 22 -21.763 7.337 1.135 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -22.648 5.390 -0.325 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -22.090 4.323 0.948 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -24.191 4.727 1.823 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -23.410 6.150 2.482 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -24.803 7.468 1.272 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -24.124 6.814 -0.206 1.00 0.00 H new ATOM 0 HE ARG A 22 -26.022 4.928 0.830 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -25.818 8.156 -0.629 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -27.425 8.068 -1.357 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -28.112 4.812 -0.115 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -28.728 6.168 -1.065 1.00 0.00 H new ATOM 374 N VAL A 23 -19.845 5.026 2.510 1.00 0.00 N ATOM 375 CA VAL A 23 -19.207 4.629 3.749 1.00 0.00 C ATOM 376 C VAL A 23 -18.468 5.816 4.351 1.00 0.00 C ATOM 377 O VAL A 23 -18.564 6.066 5.550 1.00 0.00 O ATOM 378 CB VAL A 23 -18.248 3.474 3.480 1.00 0.00 C ATOM 379 CG1 VAL A 23 -16.835 4.019 3.292 1.00 0.00 C ATOM 380 CG2 VAL A 23 -18.268 2.510 4.662 1.00 0.00 C ATOM 0 H VAL A 23 -19.555 4.484 1.696 1.00 0.00 H new ATOM 0 HA VAL A 23 -19.962 4.297 4.462 1.00 0.00 H new ATOM 0 HB VAL A 23 -18.558 2.948 2.577 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -16.149 3.194 3.100 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -16.820 4.708 2.447 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -16.525 4.545 4.195 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -17.583 1.684 4.470 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -17.959 3.036 5.565 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -19.277 2.120 4.796 1.00 0.00 H new ATOM 390 N CYS A 24 -17.729 6.548 3.514 1.00 0.00 N ATOM 391 CA CYS A 24 -16.979 7.702 3.965 1.00 0.00 C ATOM 392 C CYS A 24 -17.936 8.771 4.475 1.00 0.00 C ATOM 393 O CYS A 24 -17.768 9.282 5.580 1.00 0.00 O ATOM 394 CB CYS A 24 -16.132 8.239 2.815 1.00 0.00 C ATOM 395 SG CYS A 24 -14.900 9.465 3.318 1.00 0.00 S ATOM 0 H CYS A 24 -17.640 6.353 2.517 1.00 0.00 H new ATOM 0 HA CYS A 24 -16.317 7.414 4.782 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -15.623 7.405 2.332 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -16.791 8.685 2.070 1.00 0.00 H new ATOM 400 N GLU A 25 -18.943 9.108 3.666 1.00 0.00 N ATOM 401 CA GLU A 25 -19.919 10.111 4.041 1.00 0.00 C ATOM 402 C GLU A 25 -20.251 9.985 5.521 1.00 0.00 C ATOM 403 O GLU A 25 -20.247 10.976 6.249 1.00 0.00 O ATOM 404 CB GLU A 25 -21.174 9.942 3.189 1.00 0.00 C ATOM 405 CG GLU A 25 -20.976 10.642 1.848 1.00 0.00 C ATOM 406 CD GLU A 25 -21.904 11.842 1.720 1.00 0.00 C ATOM 407 OE1 GLU A 25 -21.479 12.937 2.147 1.00 0.00 O ATOM 408 OE2 GLU A 25 -23.022 11.641 1.198 1.00 0.00 O ATOM 0 H GLU A 25 -19.097 8.695 2.746 1.00 0.00 H new ATOM 0 HA GLU A 25 -19.507 11.105 3.867 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -21.380 8.883 3.032 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -22.037 10.361 3.706 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -19.940 10.967 1.752 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -21.167 9.941 1.035 1.00 0.00 H new ATOM 415 N ASP A 26 -20.538 8.760 5.966 1.00 0.00 N ATOM 416 CA ASP A 26 -20.870 8.509 7.354 1.00 0.00 C ATOM 417 C ASP A 26 -19.720 8.953 8.247 1.00 0.00 C ATOM 418 O ASP A 26 -19.898 9.809 9.111 1.00 0.00 O ATOM 419 CB ASP A 26 -21.162 7.024 7.546 1.00 0.00 C ATOM 420 CG ASP A 26 -22.372 6.819 8.446 1.00 0.00 C ATOM 421 OD1 ASP A 26 -23.493 7.082 7.959 1.00 0.00 O ATOM 422 OD2 ASP A 26 -22.154 6.404 9.604 1.00 0.00 O ATOM 0 H ASP A 26 -20.545 7.928 5.376 1.00 0.00 H new ATOM 0 HA ASP A 26 -21.758 9.078 7.629 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -21.341 6.557 6.578 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -20.292 6.532 7.982 1.00 0.00 H new ATOM 427 N CYS A 27 -18.538 8.368 8.037 1.00 0.00 N ATOM 428 CA CYS A 27 -17.368 8.705 8.822 1.00 0.00 C ATOM 429 C CYS A 27 -17.109 10.203 8.744 1.00 0.00 C ATOM 430 O CYS A 27 -16.981 10.868 9.769 1.00 0.00 O ATOM 431 CB CYS A 27 -16.166 7.920 8.303 1.00 0.00 C ATOM 432 SG CYS A 27 -15.370 8.665 6.858 1.00 0.00 S ATOM 0 H CYS A 27 -18.375 7.657 7.324 1.00 0.00 H new ATOM 0 HA CYS A 27 -17.536 8.440 9.866 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -15.431 7.829 9.103 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -16.487 6.910 8.048 1.00 0.00 H new ATOM 437 N THR A 28 -17.032 10.734 7.521 1.00 0.00 N ATOM 438 CA THR A 28 -16.790 12.148 7.320 1.00 0.00 C ATOM 439 C THR A 28 -17.609 12.961 8.312 1.00 0.00 C ATOM 440 O THR A 28 -17.188 14.033 8.740 1.00 0.00 O ATOM 441 CB THR A 28 -17.148 12.525 5.885 1.00 0.00 C ATOM 442 OG1 THR A 28 -16.279 11.862 4.994 1.00 0.00 O ATOM 443 CG2 THR A 28 -17.008 14.034 5.705 1.00 0.00 C ATOM 0 H THR A 28 -17.135 10.197 6.660 1.00 0.00 H new ATOM 0 HA THR A 28 -15.735 12.367 7.488 1.00 0.00 H new ATOM 0 HB THR A 28 -18.176 12.229 5.677 1.00 0.00 H new ATOM 0 HG1 THR A 28 -16.545 10.922 4.916 1.00 0.00 H new ATOM 0 HG21 THR A 28 -17.264 14.303 4.680 1.00 0.00 H new ATOM 0 HG22 THR A 28 -17.680 14.546 6.393 1.00 0.00 H new ATOM 0 HG23 THR A 28 -15.980 14.331 5.913 1.00 0.00 H new ATOM 451 N ASN A 29 -18.786 12.446 8.676 1.00 0.00 N ATOM 452 CA ASN A 29 -19.657 13.124 9.614 1.00 0.00 C ATOM 453 C ASN A 29 -19.137 12.939 11.033 1.00 0.00 C ATOM 454 O ASN A 29 -19.193 13.861 11.844 1.00 0.00 O ATOM 455 CB ASN A 29 -21.073 12.571 9.482 1.00 0.00 C ATOM 456 CG ASN A 29 -21.523 12.572 8.028 1.00 0.00 C ATOM 457 OD1 ASN A 29 -21.172 13.472 7.269 1.00 0.00 O ATOM 458 ND2 ASN A 29 -22.302 11.559 7.641 1.00 0.00 N ATOM 0 H ASN A 29 -19.150 11.559 8.329 1.00 0.00 H new ATOM 0 HA ASN A 29 -19.674 14.191 9.392 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -21.110 11.556 9.878 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -21.759 13.171 10.080 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -22.633 11.509 6.677 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -22.567 10.835 8.309 1.00 0.00 H new ATOM 465 N ILE A 30 -18.628 11.741 11.330 1.00 0.00 N ATOM 466 CA ILE A 30 -18.098 11.438 12.644 1.00 0.00 C ATOM 467 C ILE A 30 -16.992 12.425 12.993 1.00 0.00 C ATOM 468 O ILE A 30 -17.008 13.023 14.066 1.00 0.00 O ATOM 469 CB ILE A 30 -17.571 10.006 12.662 1.00 0.00 C ATOM 470 CG1 ILE A 30 -18.720 9.044 12.951 1.00 0.00 C ATOM 471 CG2 ILE A 30 -16.508 9.869 13.747 1.00 0.00 C ATOM 472 CD1 ILE A 30 -19.724 9.091 11.802 1.00 0.00 C ATOM 0 H ILE A 30 -18.576 10.967 10.668 1.00 0.00 H new ATOM 0 HA ILE A 30 -18.888 11.529 13.389 1.00 0.00 H new ATOM 0 HB ILE A 30 -17.133 9.768 11.692 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -18.338 8.030 13.073 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -19.209 9.315 13.887 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -16.131 8.846 13.760 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -15.687 10.556 13.541 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -16.945 10.107 14.717 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -20.545 8.404 12.008 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -20.115 10.104 11.701 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -19.230 8.799 10.875 1.00 0.00 H new ATOM 484 N PHE A 31 -16.030 12.593 12.083 1.00 0.00 N ATOM 485 CA PHE A 31 -14.925 13.505 12.301 1.00 0.00 C ATOM 486 C PHE A 31 -15.279 14.883 11.761 1.00 0.00 C ATOM 487 O PHE A 31 -14.691 15.882 12.170 1.00 0.00 O ATOM 488 CB PHE A 31 -13.675 12.959 11.617 1.00 0.00 C ATOM 489 CG PHE A 31 -13.542 11.458 11.712 1.00 0.00 C ATOM 490 CD1 PHE A 31 -13.125 10.867 12.910 1.00 0.00 C ATOM 491 CD2 PHE A 31 -13.834 10.658 10.601 1.00 0.00 C ATOM 492 CE1 PHE A 31 -13.000 9.475 12.998 1.00 0.00 C ATOM 493 CE2 PHE A 31 -13.709 9.266 10.689 1.00 0.00 C ATOM 494 CZ PHE A 31 -13.292 8.675 11.887 1.00 0.00 C ATOM 0 H PHE A 31 -16.002 12.104 11.188 1.00 0.00 H new ATOM 0 HA PHE A 31 -14.728 13.596 13.369 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -13.690 13.248 10.566 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -12.795 13.423 12.063 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -12.900 11.485 13.767 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -14.156 11.114 9.676 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -12.678 9.019 13.923 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -13.934 8.648 9.832 1.00 0.00 H new ATOM 0 HZ PHE A 31 -13.195 7.601 11.954 1.00 0.00 H new ATOM 504 N ARG A 32 -16.243 14.935 10.839 1.00 0.00 N ATOM 505 CA ARG A 32 -16.668 16.187 10.247 1.00 0.00 C ATOM 506 C ARG A 32 -15.592 16.704 9.304 1.00 0.00 C ATOM 507 O ARG A 32 -15.893 17.394 8.332 1.00 0.00 O ATOM 508 CB ARG A 32 -16.951 17.201 11.352 1.00 0.00 C ATOM 509 CG ARG A 32 -18.436 17.553 11.351 1.00 0.00 C ATOM 510 CD ARG A 32 -18.647 18.867 10.604 1.00 0.00 C ATOM 511 NE ARG A 32 -19.116 19.916 11.509 1.00 0.00 N ATOM 512 CZ ARG A 32 -20.359 20.413 11.462 1.00 0.00 C ATOM 513 NH1 ARG A 32 -21.233 19.947 10.559 1.00 0.00 N ATOM 514 NH2 ARG A 32 -20.729 21.376 12.318 1.00 0.00 N ATOM 0 H ARG A 32 -16.741 14.116 10.491 1.00 0.00 H new ATOM 0 HA ARG A 32 -17.581 16.030 9.673 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -16.664 16.790 12.320 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -16.353 18.099 11.198 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -19.009 16.756 10.876 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -18.800 17.642 12.374 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -17.713 19.177 10.136 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -19.372 18.722 9.803 1.00 0.00 H new ATOM 0 HE ARG A 32 -18.469 20.285 12.206 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -20.952 19.214 9.908 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -22.180 20.325 10.523 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -20.064 21.730 13.005 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -21.676 21.754 12.282 1.00 0.00 H new ATOM 528 N LEU A 33 -14.332 16.369 9.593 1.00 0.00 N ATOM 529 CA LEU A 33 -13.218 16.799 8.771 1.00 0.00 C ATOM 530 C LEU A 33 -13.584 16.675 7.299 1.00 0.00 C ATOM 531 O LEU A 33 -13.948 15.597 6.836 1.00 0.00 O ATOM 532 CB LEU A 33 -11.990 15.952 9.096 1.00 0.00 C ATOM 533 CG LEU A 33 -11.372 16.435 10.405 1.00 0.00 C ATOM 534 CD1 LEU A 33 -12.089 15.776 11.580 1.00 0.00 C ATOM 535 CD2 LEU A 33 -9.893 16.062 10.437 1.00 0.00 C ATOM 0 H LEU A 33 -14.066 15.798 10.396 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.989 17.844 8.981 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -12.271 14.902 9.179 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.261 16.024 8.289 1.00 0.00 H new ATOM 0 HG LEU A 33 -11.475 17.518 10.478 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.648 16.121 12.515 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -13.146 16.043 11.557 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.986 14.693 11.508 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.451 16.407 11.372 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.789 14.979 10.364 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.381 16.533 9.598 1.00 0.00 H new ATOM 547 N PRO A 34 -13.485 17.785 6.563 1.00 0.00 N ATOM 548 CA PRO A 34 -13.788 17.856 5.150 1.00 0.00 C ATOM 549 C PRO A 34 -12.698 17.149 4.358 1.00 0.00 C ATOM 550 O PRO A 34 -12.965 16.576 3.304 1.00 0.00 O ATOM 551 CB PRO A 34 -13.817 19.349 4.831 1.00 0.00 C ATOM 552 CG PRO A 34 -12.823 19.929 5.836 1.00 0.00 C ATOM 553 CD PRO A 34 -13.060 19.069 7.076 1.00 0.00 C ATOM 0 HA PRO A 34 -14.731 17.373 4.893 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -13.516 19.549 3.803 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -14.814 19.771 4.959 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -11.796 19.852 5.480 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -13.014 20.984 6.032 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -12.152 18.976 7.671 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -13.821 19.508 7.722 1.00 0.00 H new ATOM 561 N GLY A 35 -11.465 17.191 4.868 1.00 0.00 N ATOM 562 CA GLY A 35 -10.345 16.556 4.203 1.00 0.00 C ATOM 563 C GLY A 35 -10.291 15.077 4.556 1.00 0.00 C ATOM 564 O GLY A 35 -9.342 14.619 5.189 1.00 0.00 O ATOM 0 H GLY A 35 -11.225 17.661 5.741 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.438 16.676 3.124 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.415 17.042 4.498 1.00 0.00 H new ATOM 568 N LEU A 36 -11.317 14.328 4.144 1.00 0.00 N ATOM 569 CA LEU A 36 -11.384 12.906 4.417 1.00 0.00 C ATOM 570 C LEU A 36 -12.070 12.190 3.263 1.00 0.00 C ATOM 571 O LEU A 36 -11.609 11.142 2.816 1.00 0.00 O ATOM 572 CB LEU A 36 -12.140 12.674 5.723 1.00 0.00 C ATOM 573 CG LEU A 36 -11.917 11.240 6.192 1.00 0.00 C ATOM 574 CD1 LEU A 36 -10.587 11.147 6.934 1.00 0.00 C ATOM 575 CD2 LEU A 36 -13.051 10.828 7.126 1.00 0.00 C ATOM 0 H LEU A 36 -12.112 14.693 3.619 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.376 12.504 4.519 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -11.796 13.374 6.484 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -13.204 12.859 5.577 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.898 10.575 5.329 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -10.428 10.122 7.269 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.777 11.440 6.267 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.605 11.812 7.797 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.892 9.803 7.461 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -13.071 11.493 7.989 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -14.001 10.893 6.596 1.00 0.00 H new ATOM 587 N ASP A 37 -13.177 12.760 2.779 1.00 0.00 N ATOM 588 CA ASP A 37 -13.920 12.175 1.682 1.00 0.00 C ATOM 589 C ASP A 37 -12.956 11.655 0.625 1.00 0.00 C ATOM 590 O ASP A 37 -12.949 10.465 0.318 1.00 0.00 O ATOM 591 CB ASP A 37 -14.859 13.222 1.090 1.00 0.00 C ATOM 592 CG ASP A 37 -15.931 12.567 0.230 1.00 0.00 C ATOM 593 OD1 ASP A 37 -15.583 11.586 -0.461 1.00 0.00 O ATOM 594 OD2 ASP A 37 -17.079 13.061 0.281 1.00 0.00 O ATOM 0 H ASP A 37 -13.572 13.629 3.138 1.00 0.00 H new ATOM 0 HA ASP A 37 -14.514 11.337 2.046 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -15.328 13.791 1.893 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -14.288 13.930 0.490 1.00 0.00 H new ATOM 599 N GLY A 38 -12.139 12.552 0.068 1.00 0.00 N ATOM 600 CA GLY A 38 -11.178 12.176 -0.950 1.00 0.00 C ATOM 601 C GLY A 38 -10.394 10.948 -0.508 1.00 0.00 C ATOM 602 O GLY A 38 -10.459 9.901 -1.148 1.00 0.00 O ATOM 0 H GLY A 38 -12.130 13.543 0.311 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.694 11.969 -1.888 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.495 13.004 -1.138 1.00 0.00 H new ATOM 606 N MET A 39 -9.651 11.079 0.593 1.00 0.00 N ATOM 607 CA MET A 39 -8.858 9.983 1.114 1.00 0.00 C ATOM 608 C MET A 39 -9.625 8.676 0.970 1.00 0.00 C ATOM 609 O MET A 39 -9.172 7.759 0.289 1.00 0.00 O ATOM 610 CB MET A 39 -8.519 10.252 2.577 1.00 0.00 C ATOM 611 CG MET A 39 -7.366 11.249 2.657 1.00 0.00 C ATOM 612 SD MET A 39 -7.635 12.590 3.842 1.00 0.00 S ATOM 613 CE MET A 39 -7.603 11.632 5.377 1.00 0.00 C ATOM 0 H MET A 39 -9.587 11.940 1.137 1.00 0.00 H new ATOM 0 HA MET A 39 -7.930 9.900 0.548 1.00 0.00 H new ATOM 0 HB2 MET A 39 -9.392 10.647 3.097 1.00 0.00 H new ATOM 0 HB3 MET A 39 -8.245 9.322 3.075 1.00 0.00 H new ATOM 0 HG2 MET A 39 -6.455 10.715 2.928 1.00 0.00 H new ATOM 0 HG3 MET A 39 -7.201 11.678 1.669 1.00 0.00 H new ATOM 0 HE1 MET A 39 -8.227 12.122 6.125 1.00 0.00 H new ATOM 0 HE2 MET A 39 -7.984 10.628 5.188 1.00 0.00 H new ATOM 0 HE3 MET A 39 -6.579 11.568 5.745 1.00 0.00 H new ATOM 623 N CYS A 40 -10.790 8.594 1.616 1.00 0.00 N ATOM 624 CA CYS A 40 -11.614 7.403 1.559 1.00 0.00 C ATOM 625 C CYS A 40 -11.648 6.869 0.134 1.00 0.00 C ATOM 626 O CYS A 40 -11.407 5.685 -0.092 1.00 0.00 O ATOM 627 CB CYS A 40 -13.022 7.736 2.046 1.00 0.00 C ATOM 628 SG CYS A 40 -13.071 8.502 3.685 1.00 0.00 S ATOM 0 H CYS A 40 -11.178 9.346 2.185 1.00 0.00 H new ATOM 0 HA CYS A 40 -11.193 6.632 2.205 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -13.495 8.407 1.328 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -13.615 6.821 2.066 1.00 0.00 H new ATOM 633 N ARG A 41 -11.949 7.745 -0.827 1.00 0.00 N ATOM 634 CA ARG A 41 -12.014 7.358 -2.222 1.00 0.00 C ATOM 635 C ARG A 41 -10.771 7.847 -2.951 1.00 0.00 C ATOM 636 O ARG A 41 -10.849 8.268 -4.103 1.00 0.00 O ATOM 637 CB ARG A 41 -13.275 7.941 -2.852 1.00 0.00 C ATOM 638 CG ARG A 41 -13.894 8.961 -1.900 1.00 0.00 C ATOM 639 CD ARG A 41 -13.449 10.365 -2.299 1.00 0.00 C ATOM 640 NE ARG A 41 -13.984 10.734 -3.610 1.00 0.00 N ATOM 641 CZ ARG A 41 -13.394 11.633 -4.408 1.00 0.00 C ATOM 642 NH1 ARG A 41 -12.263 12.237 -4.017 1.00 0.00 N ATOM 643 NH2 ARG A 41 -13.934 11.930 -5.598 1.00 0.00 N ATOM 0 H ARG A 41 -12.151 8.730 -0.655 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.053 6.272 -2.301 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -13.033 8.415 -3.803 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -13.989 7.146 -3.065 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -14.981 8.890 -1.931 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -13.590 8.749 -0.875 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -13.785 11.083 -1.551 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -12.360 10.413 -2.320 1.00 0.00 H new ATOM 0 HE ARG A 41 -14.843 10.287 -3.930 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -11.851 12.012 -3.111 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.814 12.922 -4.625 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -14.795 11.471 -5.896 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -13.484 12.615 -6.205 1.00 0.00 H new ATOM 657 N ASN A 42 -9.620 7.791 -2.276 1.00 0.00 N ATOM 658 CA ASN A 42 -8.369 8.227 -2.864 1.00 0.00 C ATOM 659 C ASN A 42 -7.551 7.019 -3.298 1.00 0.00 C ATOM 660 O ASN A 42 -7.973 5.880 -3.112 1.00 0.00 O ATOM 661 CB ASN A 42 -7.598 9.066 -1.849 1.00 0.00 C ATOM 662 CG ASN A 42 -6.461 9.823 -2.521 1.00 0.00 C ATOM 663 OD1 ASN A 42 -6.585 11.013 -2.800 1.00 0.00 O ATOM 664 ND2 ASN A 42 -5.351 9.129 -2.780 1.00 0.00 N ATOM 0 H ASN A 42 -9.538 7.446 -1.320 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.570 8.837 -3.744 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.274 9.771 -1.366 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.198 8.421 -1.067 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -4.557 9.586 -3.229 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.296 8.142 -2.529 1.00 0.00 H new ATOM 671 N ARG A 43 -6.376 7.273 -3.878 1.00 0.00 N ATOM 672 CA ARG A 43 -5.504 6.210 -4.336 1.00 0.00 C ATOM 673 C ARG A 43 -6.317 4.946 -4.581 1.00 0.00 C ATOM 674 O ARG A 43 -5.977 3.879 -4.075 1.00 0.00 O ATOM 675 CB ARG A 43 -4.418 5.960 -3.294 1.00 0.00 C ATOM 676 CG ARG A 43 -5.010 6.108 -1.896 1.00 0.00 C ATOM 677 CD ARG A 43 -4.261 7.202 -1.139 1.00 0.00 C ATOM 678 NE ARG A 43 -5.133 7.856 -0.163 1.00 0.00 N ATOM 679 CZ ARG A 43 -5.077 9.170 0.095 1.00 0.00 C ATOM 680 NH1 ARG A 43 -4.196 9.943 -0.554 1.00 0.00 N ATOM 681 NH2 ARG A 43 -5.901 9.710 1.002 1.00 0.00 N ATOM 0 H ARG A 43 -6.013 8.213 -4.038 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.030 6.501 -5.273 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -4.001 4.961 -3.420 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.599 6.666 -3.430 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -6.069 6.357 -1.963 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.938 5.163 -1.357 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.398 6.772 -0.630 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.880 7.941 -1.844 1.00 0.00 H new ATOM 0 HE ARG A 43 -5.813 7.288 0.343 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.568 9.531 -1.244 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.153 10.943 -0.358 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.571 9.121 1.497 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -5.858 10.710 1.198 1.00 0.00 H new ATOM 695 N CYS A 44 -7.394 5.069 -5.361 1.00 0.00 N ATOM 696 CA CYS A 44 -8.248 3.940 -5.669 1.00 0.00 C ATOM 697 C CYS A 44 -8.690 3.262 -4.380 1.00 0.00 C ATOM 698 O CYS A 44 -8.422 2.081 -4.174 1.00 0.00 O ATOM 699 CB CYS A 44 -7.493 2.962 -6.564 1.00 0.00 C ATOM 700 SG CYS A 44 -8.452 1.498 -7.026 1.00 0.00 S ATOM 0 H CYS A 44 -7.689 5.947 -5.788 1.00 0.00 H new ATOM 0 HA CYS A 44 -9.137 4.284 -6.198 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -7.182 3.481 -7.471 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -6.585 2.643 -6.052 1.00 0.00 H new ATOM 705 N PHE A 45 -9.370 4.014 -3.511 1.00 0.00 N ATOM 706 CA PHE A 45 -9.844 3.481 -2.250 1.00 0.00 C ATOM 707 C PHE A 45 -8.826 2.497 -1.690 1.00 0.00 C ATOM 708 O PHE A 45 -9.193 1.537 -1.016 1.00 0.00 O ATOM 709 CB PHE A 45 -11.194 2.802 -2.461 1.00 0.00 C ATOM 710 CG PHE A 45 -12.206 3.678 -3.161 1.00 0.00 C ATOM 711 CD1 PHE A 45 -11.990 4.074 -4.487 1.00 0.00 C ATOM 712 CD2 PHE A 45 -13.358 4.095 -2.485 1.00 0.00 C ATOM 713 CE1 PHE A 45 -12.926 4.887 -5.135 1.00 0.00 C ATOM 714 CE2 PHE A 45 -14.295 4.909 -3.134 1.00 0.00 C ATOM 715 CZ PHE A 45 -14.079 5.305 -4.459 1.00 0.00 C ATOM 0 H PHE A 45 -9.601 4.995 -3.666 1.00 0.00 H new ATOM 0 HA PHE A 45 -9.968 4.292 -1.532 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -11.047 1.893 -3.044 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -11.595 2.499 -1.494 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -11.101 3.752 -5.009 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -13.525 3.789 -1.463 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -12.759 5.193 -6.157 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -15.184 5.231 -2.612 1.00 0.00 H new ATOM 0 HZ PHE A 45 -14.801 5.933 -4.960 1.00 0.00 H new ATOM 725 N TYR A 46 -7.544 2.738 -1.970 1.00 0.00 N ATOM 726 CA TYR A 46 -6.483 1.873 -1.495 1.00 0.00 C ATOM 727 C TYR A 46 -5.609 2.625 -0.502 1.00 0.00 C ATOM 728 O TYR A 46 -4.524 3.086 -0.849 1.00 0.00 O ATOM 729 CB TYR A 46 -5.656 1.386 -2.682 1.00 0.00 C ATOM 730 CG TYR A 46 -5.081 0.004 -2.489 1.00 0.00 C ATOM 731 CD1 TYR A 46 -5.846 -1.124 -2.808 1.00 0.00 C ATOM 732 CD2 TYR A 46 -3.782 -0.150 -1.990 1.00 0.00 C ATOM 733 CE1 TYR A 46 -5.312 -2.406 -2.629 1.00 0.00 C ATOM 734 CE2 TYR A 46 -3.248 -1.432 -1.810 1.00 0.00 C ATOM 735 CZ TYR A 46 -4.013 -2.560 -2.129 1.00 0.00 C ATOM 736 OH TYR A 46 -3.493 -3.809 -1.954 1.00 0.00 O ATOM 0 H TYR A 46 -7.223 3.530 -2.526 1.00 0.00 H new ATOM 0 HA TYR A 46 -6.913 1.009 -0.988 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -6.280 1.390 -3.575 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.841 2.088 -2.860 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -6.848 -1.005 -3.192 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.192 0.720 -1.744 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -5.902 -3.276 -2.877 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -2.246 -1.550 -1.425 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.582 -3.737 -1.601 1.00 0.00 H new ATOM 746 N ASN A 47 -6.086 2.749 0.739 1.00 0.00 N ATOM 747 CA ASN A 47 -5.346 3.442 1.775 1.00 0.00 C ATOM 748 C ASN A 47 -5.962 3.150 3.136 1.00 0.00 C ATOM 749 O ASN A 47 -5.909 3.984 4.038 1.00 0.00 O ATOM 750 CB ASN A 47 -5.357 4.941 1.488 1.00 0.00 C ATOM 751 CG ASN A 47 -4.099 5.606 2.027 1.00 0.00 C ATOM 752 OD1 ASN A 47 -4.045 5.979 3.197 1.00 0.00 O ATOM 753 ND2 ASN A 47 -3.084 5.753 1.172 1.00 0.00 N ATOM 0 H ASN A 47 -6.985 2.374 1.043 1.00 0.00 H new ATOM 0 HA ASN A 47 -4.314 3.093 1.785 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -5.430 5.109 0.414 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -6.237 5.396 1.943 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -2.216 6.191 1.481 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -3.176 5.427 0.210 1.00 0.00 H new ATOM 760 N GLU A 48 -6.547 1.959 3.283 1.00 0.00 N ATOM 761 CA GLU A 48 -7.167 1.564 4.532 1.00 0.00 C ATOM 762 C GLU A 48 -8.119 2.652 5.007 1.00 0.00 C ATOM 763 O GLU A 48 -8.793 2.494 6.022 1.00 0.00 O ATOM 764 CB GLU A 48 -6.084 1.300 5.574 1.00 0.00 C ATOM 765 CG GLU A 48 -5.596 2.627 6.148 1.00 0.00 C ATOM 766 CD GLU A 48 -5.187 2.470 7.606 1.00 0.00 C ATOM 767 OE1 GLU A 48 -4.495 1.471 7.897 1.00 0.00 O ATOM 768 OE2 GLU A 48 -5.575 3.353 8.402 1.00 0.00 O ATOM 0 H GLU A 48 -6.600 1.256 2.546 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.742 0.650 4.382 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.477 0.669 6.371 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.253 0.760 5.121 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.749 2.990 5.566 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.384 3.375 6.066 1.00 0.00 H new ATOM 775 N TRP A 49 -8.174 3.762 4.267 1.00 0.00 N ATOM 776 CA TRP A 49 -9.044 4.867 4.615 1.00 0.00 C ATOM 777 C TRP A 49 -10.480 4.378 4.737 1.00 0.00 C ATOM 778 O TRP A 49 -11.329 5.065 5.300 1.00 0.00 O ATOM 779 CB TRP A 49 -8.932 5.956 3.552 1.00 0.00 C ATOM 780 CG TRP A 49 -7.846 6.956 3.787 1.00 0.00 C ATOM 781 CD1 TRP A 49 -6.975 7.396 2.853 1.00 0.00 C ATOM 782 CD2 TRP A 49 -7.495 7.654 5.020 1.00 0.00 C ATOM 783 NE1 TRP A 49 -6.114 8.312 3.420 1.00 0.00 N ATOM 784 CE2 TRP A 49 -6.390 8.509 4.758 1.00 0.00 C ATOM 785 CE3 TRP A 49 -7.996 7.652 6.334 1.00 0.00 C ATOM 786 CZ2 TRP A 49 -5.814 9.316 5.742 1.00 0.00 C ATOM 787 CZ3 TRP A 49 -7.425 8.458 7.330 1.00 0.00 C ATOM 788 CH2 TRP A 49 -6.337 9.289 7.038 1.00 0.00 C ATOM 0 H TRP A 49 -7.621 3.911 3.423 1.00 0.00 H new ATOM 0 HA TRP A 49 -8.741 5.283 5.576 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -8.767 5.483 2.584 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -9.884 6.483 3.491 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -6.956 7.079 1.821 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -5.366 8.785 2.913 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -8.835 7.019 6.581 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -4.975 9.953 5.504 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -7.829 8.437 8.332 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -5.904 9.907 7.811 1.00 0.00 H new ATOM 799 N PHE A 50 -10.750 3.183 4.206 1.00 0.00 N ATOM 800 CA PHE A 50 -12.079 2.608 4.258 1.00 0.00 C ATOM 801 C PHE A 50 -12.340 2.036 5.644 1.00 0.00 C ATOM 802 O PHE A 50 -13.489 1.928 6.067 1.00 0.00 O ATOM 803 CB PHE A 50 -12.204 1.523 3.192 1.00 0.00 C ATOM 804 CG PHE A 50 -13.601 1.385 2.634 1.00 0.00 C ATOM 805 CD1 PHE A 50 -14.038 2.247 1.622 1.00 0.00 C ATOM 806 CD2 PHE A 50 -14.459 0.397 3.132 1.00 0.00 C ATOM 807 CE1 PHE A 50 -15.334 2.120 1.106 1.00 0.00 C ATOM 808 CE2 PHE A 50 -15.754 0.270 2.616 1.00 0.00 C ATOM 809 CZ PHE A 50 -16.191 1.132 1.603 1.00 0.00 C ATOM 0 H PHE A 50 -10.058 2.600 3.736 1.00 0.00 H new ATOM 0 HA PHE A 50 -12.822 3.380 4.061 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -11.516 1.745 2.376 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -11.896 0.568 3.618 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -13.376 3.010 1.239 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -14.122 -0.267 3.914 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -15.672 2.785 0.325 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -16.416 -0.493 2.999 1.00 0.00 H new ATOM 0 HZ PHE A 50 -17.190 1.034 1.205 1.00 0.00 H new ATOM 819 N LEU A 51 -11.269 1.669 6.352 1.00 0.00 N ATOM 820 CA LEU A 51 -11.386 1.111 7.684 1.00 0.00 C ATOM 821 C LEU A 51 -11.605 2.228 8.694 1.00 0.00 C ATOM 822 O LEU A 51 -12.343 2.058 9.662 1.00 0.00 O ATOM 823 CB LEU A 51 -10.124 0.321 8.017 1.00 0.00 C ATOM 824 CG LEU A 51 -10.307 -0.389 9.355 1.00 0.00 C ATOM 825 CD1 LEU A 51 -10.207 -1.898 9.150 1.00 0.00 C ATOM 826 CD2 LEU A 51 -9.219 0.066 10.324 1.00 0.00 C ATOM 0 H LEU A 51 -10.310 1.752 6.015 1.00 0.00 H new ATOM 0 HA LEU A 51 -12.242 0.437 7.726 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.920 -0.407 7.232 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.265 0.990 8.063 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.286 -0.143 9.765 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -10.338 -2.405 10.106 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.984 -2.223 8.458 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.228 -2.145 8.739 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.349 -0.441 11.280 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.240 -0.180 9.913 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.291 1.144 10.472 1.00 0.00 H new ATOM 838 N ILE A 52 -10.960 3.375 8.467 1.00 0.00 N ATOM 839 CA ILE A 52 -11.086 4.514 9.353 1.00 0.00 C ATOM 840 C ILE A 52 -12.545 4.935 9.446 1.00 0.00 C ATOM 841 O ILE A 52 -13.037 5.241 10.530 1.00 0.00 O ATOM 842 CB ILE A 52 -10.223 5.660 8.833 1.00 0.00 C ATOM 843 CG1 ILE A 52 -8.754 5.248 8.865 1.00 0.00 C ATOM 844 CG2 ILE A 52 -10.425 6.889 9.715 1.00 0.00 C ATOM 845 CD1 ILE A 52 -8.414 4.478 7.592 1.00 0.00 C ATOM 0 H ILE A 52 -10.344 3.531 7.669 1.00 0.00 H new ATOM 0 HA ILE A 52 -10.743 4.244 10.352 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.512 5.895 7.809 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -8.120 6.130 8.950 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.558 4.629 9.741 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -9.809 7.708 9.344 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -11.474 7.185 9.692 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -10.137 6.653 10.739 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.365 4.183 7.614 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -9.040 3.588 7.527 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -8.594 5.112 6.724 1.00 0.00 H new ATOM 857 N CYS A 53 -13.238 4.951 8.305 1.00 0.00 N ATOM 858 CA CYS A 53 -14.635 5.334 8.262 1.00 0.00 C ATOM 859 C CYS A 53 -15.494 4.208 8.820 1.00 0.00 C ATOM 860 O CYS A 53 -16.314 4.431 9.708 1.00 0.00 O ATOM 861 CB CYS A 53 -15.031 5.655 6.824 1.00 0.00 C ATOM 862 SG CYS A 53 -14.242 7.142 6.159 1.00 0.00 S ATOM 0 H CYS A 53 -12.844 4.700 7.398 1.00 0.00 H new ATOM 0 HA CYS A 53 -14.792 6.222 8.874 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -14.776 4.806 6.190 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -16.113 5.777 6.774 1.00 0.00 H new ATOM 867 N LEU A 54 -15.304 2.995 8.296 1.00 0.00 N ATOM 868 CA LEU A 54 -16.061 1.842 8.743 1.00 0.00 C ATOM 869 C LEU A 54 -16.024 1.757 10.262 1.00 0.00 C ATOM 870 O LEU A 54 -16.926 1.192 10.877 1.00 0.00 O ATOM 871 CB LEU A 54 -15.477 0.578 8.117 1.00 0.00 C ATOM 872 CG LEU A 54 -16.238 0.247 6.836 1.00 0.00 C ATOM 873 CD1 LEU A 54 -15.327 -0.528 5.889 1.00 0.00 C ATOM 874 CD2 LEU A 54 -17.461 -0.601 7.176 1.00 0.00 C ATOM 0 H LEU A 54 -14.628 2.794 7.559 1.00 0.00 H new ATOM 0 HA LEU A 54 -17.100 1.941 8.430 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -14.419 0.723 7.897 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -15.545 -0.253 8.819 1.00 0.00 H new ATOM 0 HG LEU A 54 -16.559 1.171 6.355 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.870 -0.765 4.974 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -14.454 0.078 5.646 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -15.005 -1.452 6.369 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -18.005 -0.838 6.262 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -17.141 -1.525 7.657 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -18.112 -0.046 7.852 1.00 0.00 H new ATOM 886 N LYS A 55 -14.977 2.322 10.868 1.00 0.00 N ATOM 887 CA LYS A 55 -14.829 2.307 12.309 1.00 0.00 C ATOM 888 C LYS A 55 -15.769 3.327 12.936 1.00 0.00 C ATOM 889 O LYS A 55 -16.480 3.017 13.889 1.00 0.00 O ATOM 890 CB LYS A 55 -13.379 2.612 12.674 1.00 0.00 C ATOM 891 CG LYS A 55 -12.672 1.319 13.069 1.00 0.00 C ATOM 892 CD LYS A 55 -11.359 1.201 12.300 1.00 0.00 C ATOM 893 CE LYS A 55 -10.189 1.260 13.279 1.00 0.00 C ATOM 894 NZ LYS A 55 -9.466 -0.021 13.314 1.00 0.00 N ATOM 0 H LYS A 55 -14.221 2.795 10.373 1.00 0.00 H new ATOM 0 HA LYS A 55 -15.087 1.321 12.694 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -12.869 3.074 11.829 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -13.342 3.325 13.497 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.479 1.311 14.142 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -13.310 0.462 12.853 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.334 0.264 11.743 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.278 2.007 11.571 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.507 2.059 12.988 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.556 1.502 14.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.183 -0.233 14.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.084 -0.778 12.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.618 0.042 12.715 1.00 0.00 H new ATOM 908 N ALA A 56 -15.769 4.549 12.397 1.00 0.00 N ATOM 909 CA ALA A 56 -16.618 5.608 12.905 1.00 0.00 C ATOM 910 C ALA A 56 -18.078 5.190 12.806 1.00 0.00 C ATOM 911 O ALA A 56 -18.961 5.892 13.294 1.00 0.00 O ATOM 912 CB ALA A 56 -16.366 6.885 12.110 1.00 0.00 C ATOM 0 H ALA A 56 -15.185 4.821 11.606 1.00 0.00 H new ATOM 0 HA ALA A 56 -16.385 5.796 13.953 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -17.004 7.683 12.491 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -15.321 7.177 12.212 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -16.593 6.710 11.058 1.00 0.00 H new ATOM 918 N ALA A 57 -18.331 4.043 12.172 1.00 0.00 N ATOM 919 CA ALA A 57 -19.680 3.539 12.011 1.00 0.00 C ATOM 920 C ALA A 57 -19.870 2.293 12.866 1.00 0.00 C ATOM 921 O ALA A 57 -20.886 1.611 12.755 1.00 0.00 O ATOM 922 CB ALA A 57 -19.934 3.229 10.539 1.00 0.00 C ATOM 0 H ALA A 57 -17.610 3.449 11.763 1.00 0.00 H new ATOM 0 HA ALA A 57 -20.396 4.293 12.338 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -20.949 2.850 10.417 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -19.813 4.138 9.950 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -19.222 2.478 10.197 1.00 0.00 H new ATOM 928 N ASN A 58 -18.887 1.998 13.720 1.00 0.00 N ATOM 929 CA ASN A 58 -18.952 0.839 14.586 1.00 0.00 C ATOM 930 C ASN A 58 -18.919 -0.435 13.753 1.00 0.00 C ATOM 931 O ASN A 58 -18.570 -1.501 14.255 1.00 0.00 O ATOM 932 CB ASN A 58 -20.226 0.902 15.424 1.00 0.00 C ATOM 933 CG ASN A 58 -20.809 -0.488 15.633 1.00 0.00 C ATOM 934 OD1 ASN A 58 -20.760 -1.023 16.738 1.00 0.00 O ATOM 935 ND2 ASN A 58 -21.364 -1.071 14.568 1.00 0.00 N ATOM 0 H ASN A 58 -18.038 2.553 13.824 1.00 0.00 H new ATOM 0 HA ASN A 58 -18.091 0.834 15.254 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -20.008 1.358 16.390 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -20.960 1.538 14.929 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -21.772 -2.002 14.651 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -21.380 -0.585 13.671 1.00 0.00 H new ATOM 942 N ARG A 59 -19.283 -0.320 12.473 1.00 0.00 N ATOM 943 CA ARG A 59 -19.294 -1.458 11.576 1.00 0.00 C ATOM 944 C ARG A 59 -17.996 -2.240 11.720 1.00 0.00 C ATOM 945 O ARG A 59 -17.988 -3.336 12.277 1.00 0.00 O ATOM 946 CB ARG A 59 -19.475 -0.971 10.141 1.00 0.00 C ATOM 947 CG ARG A 59 -20.953 -1.028 9.768 1.00 0.00 C ATOM 948 CD ARG A 59 -21.198 -0.173 8.528 1.00 0.00 C ATOM 949 NE ARG A 59 -22.562 -0.350 8.028 1.00 0.00 N ATOM 950 CZ ARG A 59 -23.537 0.542 8.247 1.00 0.00 C ATOM 951 NH1 ARG A 59 -23.282 1.654 8.949 1.00 0.00 N ATOM 952 NH2 ARG A 59 -24.767 0.322 7.764 1.00 0.00 N ATOM 0 H ARG A 59 -19.574 0.557 12.042 1.00 0.00 H new ATOM 0 HA ARG A 59 -20.123 -2.118 11.829 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -19.103 0.049 10.042 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -18.893 -1.591 9.459 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -21.251 -2.059 9.577 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -21.562 -0.668 10.597 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -21.028 0.877 8.767 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -20.484 -0.442 7.750 1.00 0.00 H new ATOM 0 HE ARG A 59 -22.780 -1.189 7.490 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -22.345 1.821 9.317 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -24.024 2.333 9.116 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -24.961 -0.525 7.229 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -25.509 1.001 7.931 1.00 0.00 H new ATOM 966 N GLU A 60 -16.897 -1.674 11.217 1.00 0.00 N ATOM 967 CA GLU A 60 -15.603 -2.321 11.294 1.00 0.00 C ATOM 968 C GLU A 60 -15.772 -3.832 11.211 1.00 0.00 C ATOM 969 O GLU A 60 -15.057 -4.578 11.878 1.00 0.00 O ATOM 970 CB GLU A 60 -14.914 -1.925 12.597 1.00 0.00 C ATOM 971 CG GLU A 60 -13.459 -2.380 12.562 1.00 0.00 C ATOM 972 CD GLU A 60 -12.626 -1.617 13.582 1.00 0.00 C ATOM 973 OE1 GLU A 60 -13.237 -1.105 14.544 1.00 0.00 O ATOM 974 OE2 GLU A 60 -11.394 -1.559 13.379 1.00 0.00 O ATOM 0 H GLU A 60 -16.886 -0.766 10.752 1.00 0.00 H new ATOM 0 HA GLU A 60 -14.983 -2.000 10.457 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -14.965 -0.845 12.734 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -15.428 -2.379 13.445 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.403 -3.449 12.768 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -13.050 -2.226 11.564 1.00 0.00 H new ATOM 981 N ASP A 61 -16.721 -4.282 10.388 1.00 0.00 N ATOM 982 CA ASP A 61 -16.980 -5.698 10.222 1.00 0.00 C ATOM 983 C ASP A 61 -16.960 -6.054 8.742 1.00 0.00 C ATOM 984 O ASP A 61 -16.452 -7.107 8.362 1.00 0.00 O ATOM 985 CB ASP A 61 -18.330 -6.044 10.844 1.00 0.00 C ATOM 986 CG ASP A 61 -18.156 -6.957 12.049 1.00 0.00 C ATOM 987 OD1 ASP A 61 -17.595 -6.469 13.054 1.00 0.00 O ATOM 988 OD2 ASP A 61 -18.586 -8.126 11.943 1.00 0.00 O ATOM 0 H ASP A 61 -17.321 -3.677 9.827 1.00 0.00 H new ATOM 0 HA ASP A 61 -16.205 -6.276 10.725 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -18.840 -5.130 11.146 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -18.962 -6.531 10.102 1.00 0.00 H new ATOM 993 N GLU A 62 -17.516 -5.174 7.906 1.00 0.00 N ATOM 994 CA GLU A 62 -17.557 -5.402 6.476 1.00 0.00 C ATOM 995 C GLU A 62 -16.302 -4.839 5.824 1.00 0.00 C ATOM 996 O GLU A 62 -16.365 -4.274 4.735 1.00 0.00 O ATOM 997 CB GLU A 62 -18.808 -4.750 5.894 1.00 0.00 C ATOM 998 CG GLU A 62 -20.047 -5.347 6.554 1.00 0.00 C ATOM 999 CD GLU A 62 -21.317 -4.839 5.887 1.00 0.00 C ATOM 1000 OE1 GLU A 62 -21.408 -3.606 5.706 1.00 0.00 O ATOM 1001 OE2 GLU A 62 -22.173 -5.693 5.570 1.00 0.00 O ATOM 0 H GLU A 62 -17.943 -4.297 8.205 1.00 0.00 H new ATOM 0 HA GLU A 62 -17.594 -6.473 6.277 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -18.779 -3.673 6.058 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -18.845 -4.908 4.816 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -20.009 -6.435 6.491 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -20.060 -5.089 7.613 1.00 0.00 H new ATOM 1008 N ILE A 63 -15.159 -4.997 6.495 1.00 0.00 N ATOM 1009 CA ILE A 63 -13.895 -4.509 5.982 1.00 0.00 C ATOM 1010 C ILE A 63 -13.331 -5.500 4.974 1.00 0.00 C ATOM 1011 O ILE A 63 -12.864 -5.107 3.907 1.00 0.00 O ATOM 1012 CB ILE A 63 -12.923 -4.300 7.139 1.00 0.00 C ATOM 1013 CG1 ILE A 63 -13.678 -3.752 8.347 1.00 0.00 C ATOM 1014 CG2 ILE A 63 -11.841 -3.308 6.722 1.00 0.00 C ATOM 1015 CD1 ILE A 63 -14.145 -2.329 8.052 1.00 0.00 C ATOM 0 H ILE A 63 -15.092 -5.463 7.400 1.00 0.00 H new ATOM 0 HA ILE A 63 -14.047 -3.555 5.477 1.00 0.00 H new ATOM 0 HB ILE A 63 -12.461 -5.252 7.401 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -14.534 -4.388 8.573 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -13.034 -3.760 9.226 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -11.146 -3.158 7.549 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -11.301 -3.700 5.860 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -12.302 -2.356 6.459 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -14.684 -1.937 8.914 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -13.281 -1.698 7.847 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -14.804 -2.335 7.184 1.00 0.00 H new ATOM 1027 N GLU A 64 -13.375 -6.791 5.314 1.00 0.00 N ATOM 1028 CA GLU A 64 -12.870 -7.827 4.437 1.00 0.00 C ATOM 1029 C GLU A 64 -13.636 -7.815 3.122 1.00 0.00 C ATOM 1030 O GLU A 64 -13.037 -7.817 2.049 1.00 0.00 O ATOM 1031 CB GLU A 64 -13.000 -9.183 5.126 1.00 0.00 C ATOM 1032 CG GLU A 64 -14.457 -9.419 5.511 1.00 0.00 C ATOM 1033 CD GLU A 64 -14.555 -10.188 6.821 1.00 0.00 C ATOM 1034 OE1 GLU A 64 -14.254 -11.401 6.791 1.00 0.00 O ATOM 1035 OE2 GLU A 64 -14.929 -9.548 7.827 1.00 0.00 O ATOM 0 H GLU A 64 -13.758 -7.135 6.195 1.00 0.00 H new ATOM 0 HA GLU A 64 -11.818 -7.642 4.221 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -12.655 -9.975 4.462 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -12.368 -9.214 6.014 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -14.971 -8.463 5.607 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.961 -9.974 4.720 1.00 0.00 H new ATOM 1042 N LYS A 65 -14.968 -7.800 3.208 1.00 0.00 N ATOM 1043 CA LYS A 65 -15.810 -7.786 2.028 1.00 0.00 C ATOM 1044 C LYS A 65 -15.449 -6.596 1.149 1.00 0.00 C ATOM 1045 O LYS A 65 -15.255 -6.745 -0.055 1.00 0.00 O ATOM 1046 CB LYS A 65 -17.275 -7.722 2.450 1.00 0.00 C ATOM 1047 CG LYS A 65 -17.506 -6.474 3.296 1.00 0.00 C ATOM 1048 CD LYS A 65 -18.566 -5.598 2.634 1.00 0.00 C ATOM 1049 CE LYS A 65 -19.952 -6.035 3.099 1.00 0.00 C ATOM 1050 NZ LYS A 65 -20.882 -6.139 1.964 1.00 0.00 N ATOM 0 H LYS A 65 -15.480 -7.797 4.090 1.00 0.00 H new ATOM 0 HA LYS A 65 -15.651 -8.698 1.453 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -17.918 -7.702 1.570 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -17.540 -8.614 3.018 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -17.827 -6.756 4.299 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -16.575 -5.918 3.404 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -18.399 -4.551 2.889 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -18.493 -5.678 1.549 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -19.882 -6.998 3.606 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -20.338 -5.320 3.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -21.533 -5.328 1.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -20.344 -6.142 1.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -21.427 -7.021 2.042 1.00 0.00 H new ATOM 1064 N PHE A 66 -15.361 -5.411 1.757 1.00 0.00 N ATOM 1065 CA PHE A 66 -15.026 -4.204 1.029 1.00 0.00 C ATOM 1066 C PHE A 66 -13.574 -4.260 0.576 1.00 0.00 C ATOM 1067 O PHE A 66 -13.209 -3.650 -0.427 1.00 0.00 O ATOM 1068 CB PHE A 66 -15.268 -2.989 1.920 1.00 0.00 C ATOM 1069 CG PHE A 66 -16.600 -2.320 1.679 1.00 0.00 C ATOM 1070 CD1 PHE A 66 -16.825 -1.618 0.488 1.00 0.00 C ATOM 1071 CD2 PHE A 66 -17.611 -2.403 2.644 1.00 0.00 C ATOM 1072 CE1 PHE A 66 -18.060 -0.999 0.264 1.00 0.00 C ATOM 1073 CE2 PHE A 66 -18.846 -1.785 2.419 1.00 0.00 C ATOM 1074 CZ PHE A 66 -19.071 -1.082 1.229 1.00 0.00 C ATOM 0 H PHE A 66 -15.519 -5.270 2.755 1.00 0.00 H new ATOM 0 HA PHE A 66 -15.658 -4.121 0.145 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -15.209 -3.297 2.964 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -14.471 -2.264 1.756 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -16.046 -1.554 -0.257 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -17.438 -2.944 3.562 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -18.233 -0.457 -0.654 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -19.626 -1.850 3.163 1.00 0.00 H new ATOM 0 HZ PHE A 66 -20.024 -0.604 1.056 1.00 0.00 H new ATOM 1084 N ARG A 67 -12.744 -4.996 1.319 1.00 0.00 N ATOM 1085 CA ARG A 67 -11.338 -5.128 0.993 1.00 0.00 C ATOM 1086 C ARG A 67 -11.185 -5.614 -0.441 1.00 0.00 C ATOM 1087 O ARG A 67 -10.555 -4.949 -1.260 1.00 0.00 O ATOM 1088 CB ARG A 67 -10.681 -6.102 1.967 1.00 0.00 C ATOM 1089 CG ARG A 67 -9.260 -5.636 2.272 1.00 0.00 C ATOM 1090 CD ARG A 67 -9.130 -5.342 3.764 1.00 0.00 C ATOM 1091 NE ARG A 67 -7.725 -5.270 4.164 1.00 0.00 N ATOM 1092 CZ ARG A 67 -7.306 -5.581 5.398 1.00 0.00 C ATOM 1093 NH1 ARG A 67 -8.187 -5.979 6.325 1.00 0.00 N ATOM 1094 NH2 ARG A 67 -6.004 -5.494 5.705 1.00 0.00 N ATOM 0 H ARG A 67 -13.031 -5.509 2.153 1.00 0.00 H new ATOM 0 HA ARG A 67 -10.847 -4.159 1.081 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -11.262 -6.159 2.888 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -10.662 -7.104 1.539 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -8.543 -6.403 1.978 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -9.027 -4.743 1.693 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -9.627 -4.400 3.997 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -9.635 -6.120 4.337 1.00 0.00 H new ATOM 0 HE ARG A 67 -7.035 -4.971 3.475 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -9.178 -6.046 6.092 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -7.867 -6.216 7.264 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.333 -5.191 4.999 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -5.685 -5.731 6.644 1.00 0.00 H new ATOM 1108 N VAL A 68 -11.765 -6.778 -0.744 1.00 0.00 N ATOM 1109 CA VAL A 68 -11.691 -7.346 -2.074 1.00 0.00 C ATOM 1110 C VAL A 68 -12.259 -6.362 -3.087 1.00 0.00 C ATOM 1111 O VAL A 68 -11.640 -6.098 -4.115 1.00 0.00 O ATOM 1112 CB VAL A 68 -12.462 -8.663 -2.108 1.00 0.00 C ATOM 1113 CG1 VAL A 68 -13.913 -8.393 -2.494 1.00 0.00 C ATOM 1114 CG2 VAL A 68 -11.828 -9.597 -3.135 1.00 0.00 C ATOM 0 H VAL A 68 -12.292 -7.341 -0.076 1.00 0.00 H new ATOM 0 HA VAL A 68 -10.651 -7.543 -2.332 1.00 0.00 H new ATOM 0 HB VAL A 68 -12.429 -9.129 -1.123 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -14.464 -9.333 -2.518 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -14.366 -7.726 -1.761 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -13.947 -7.927 -3.479 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -12.378 -10.538 -3.160 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.861 -9.131 -4.120 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -10.791 -9.790 -2.860 1.00 0.00 H new ATOM 1124 N TRP A 69 -13.442 -5.818 -2.794 1.00 0.00 N ATOM 1125 CA TRP A 69 -14.082 -4.866 -3.679 1.00 0.00 C ATOM 1126 C TRP A 69 -13.080 -3.805 -4.111 1.00 0.00 C ATOM 1127 O TRP A 69 -12.833 -3.628 -5.302 1.00 0.00 O ATOM 1128 CB TRP A 69 -15.271 -4.229 -2.965 1.00 0.00 C ATOM 1129 CG TRP A 69 -16.364 -5.178 -2.592 1.00 0.00 C ATOM 1130 CD1 TRP A 69 -16.409 -6.486 -2.924 1.00 0.00 C ATOM 1131 CD2 TRP A 69 -17.578 -4.921 -1.822 1.00 0.00 C ATOM 1132 NE1 TRP A 69 -17.558 -7.053 -2.415 1.00 0.00 N ATOM 1133 CE2 TRP A 69 -18.317 -6.130 -1.725 1.00 0.00 C ATOM 1134 CE3 TRP A 69 -18.129 -3.789 -1.194 1.00 0.00 C ATOM 1135 CZ2 TRP A 69 -19.536 -6.214 -1.046 1.00 0.00 C ATOM 1136 CZ3 TRP A 69 -19.351 -3.862 -0.510 1.00 0.00 C ATOM 1137 CH2 TRP A 69 -20.055 -5.070 -0.434 1.00 0.00 C ATOM 0 H TRP A 69 -13.970 -6.027 -1.947 1.00 0.00 H new ATOM 0 HA TRP A 69 -14.442 -5.379 -4.571 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -14.912 -3.738 -2.061 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -15.687 -3.452 -3.606 1.00 0.00 H new ATOM 0 HD1 TRP A 69 -15.660 -7.008 -3.500 1.00 0.00 H new ATOM 0 HE1 TRP A 69 -17.815 -8.033 -2.534 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -17.602 -2.848 -1.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 -20.070 -7.151 -0.995 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -19.753 -2.978 -0.037 1.00 0.00 H new ATOM 0 HH2 TRP A 69 -20.995 -5.117 0.095 1.00 0.00 H new ATOM 1148 N ILE A 70 -12.503 -3.097 -3.137 1.00 0.00 N ATOM 1149 CA ILE A 70 -11.531 -2.060 -3.416 1.00 0.00 C ATOM 1150 C ILE A 70 -10.476 -2.588 -4.377 1.00 0.00 C ATOM 1151 O ILE A 70 -9.925 -1.831 -5.174 1.00 0.00 O ATOM 1152 CB ILE A 70 -10.892 -1.598 -2.110 1.00 0.00 C ATOM 1153 CG1 ILE A 70 -11.927 -0.854 -1.271 1.00 0.00 C ATOM 1154 CG2 ILE A 70 -9.723 -0.667 -2.417 1.00 0.00 C ATOM 1155 CD1 ILE A 70 -12.707 0.108 -2.161 1.00 0.00 C ATOM 0 H ILE A 70 -12.700 -3.231 -2.145 1.00 0.00 H new ATOM 0 HA ILE A 70 -12.025 -1.208 -3.883 1.00 0.00 H new ATOM 0 HB ILE A 70 -10.531 -2.465 -1.557 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -12.607 -1.564 -0.800 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -11.434 -0.305 -0.469 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -9.266 -0.337 -1.484 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -8.983 -1.198 -3.016 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -10.084 0.200 -2.971 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -13.446 0.640 -1.562 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -12.021 0.825 -2.611 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -13.212 -0.453 -2.947 1.00 0.00 H new ATOM 1167 N SER A 71 -10.195 -3.891 -4.301 1.00 0.00 N ATOM 1168 CA SER A 71 -9.209 -4.511 -5.164 1.00 0.00 C ATOM 1169 C SER A 71 -9.794 -4.713 -6.555 1.00 0.00 C ATOM 1170 O SER A 71 -9.060 -4.768 -7.539 1.00 0.00 O ATOM 1171 CB SER A 71 -8.774 -5.843 -4.562 1.00 0.00 C ATOM 1172 OG SER A 71 -7.403 -5.786 -4.236 1.00 0.00 O ATOM 0 H SER A 71 -10.643 -4.532 -3.646 1.00 0.00 H new ATOM 0 HA SER A 71 -8.336 -3.863 -5.250 1.00 0.00 H new ATOM 0 HB2 SER A 71 -9.362 -6.061 -3.670 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.957 -6.651 -5.270 1.00 0.00 H new ATOM 0 HG SER A 71 -7.123 -6.641 -3.847 1.00 0.00 H new ATOM 1178 N ILE A 72 -11.123 -4.822 -6.634 1.00 0.00 N ATOM 1179 CA ILE A 72 -11.802 -5.014 -7.900 1.00 0.00 C ATOM 1180 C ILE A 72 -11.709 -3.743 -8.732 1.00 0.00 C ATOM 1181 O ILE A 72 -11.722 -3.801 -9.960 1.00 0.00 O ATOM 1182 CB ILE A 72 -13.259 -5.388 -7.643 1.00 0.00 C ATOM 1183 CG1 ILE A 72 -13.318 -6.692 -6.852 1.00 0.00 C ATOM 1184 CG2 ILE A 72 -13.980 -5.568 -8.976 1.00 0.00 C ATOM 1185 CD1 ILE A 72 -14.771 -7.136 -6.711 1.00 0.00 C ATOM 0 H ILE A 72 -11.745 -4.779 -5.827 1.00 0.00 H new ATOM 0 HA ILE A 72 -11.326 -5.823 -8.454 1.00 0.00 H new ATOM 0 HB ILE A 72 -13.743 -4.595 -7.072 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -12.738 -7.464 -7.359 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -12.872 -6.553 -5.867 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -15.021 -5.835 -8.793 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -13.938 -4.637 -9.541 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -13.497 -6.361 -9.547 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -14.814 -8.067 -6.146 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -15.337 -6.367 -6.186 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -15.202 -7.292 -7.700 1.00 0.00 H new ATOM 1197 N LEU A 73 -11.615 -2.593 -8.061 1.00 0.00 N ATOM 1198 CA LEU A 73 -11.520 -1.316 -8.740 1.00 0.00 C ATOM 1199 C LEU A 73 -10.147 -1.172 -9.381 1.00 0.00 C ATOM 1200 O LEU A 73 -9.949 -0.322 -10.246 1.00 0.00 O ATOM 1201 CB LEU A 73 -11.771 -0.189 -7.741 1.00 0.00 C ATOM 1202 CG LEU A 73 -13.167 -0.342 -7.143 1.00 0.00 C ATOM 1203 CD1 LEU A 73 -13.268 0.491 -5.868 1.00 0.00 C ATOM 1204 CD2 LEU A 73 -14.207 0.140 -8.150 1.00 0.00 C ATOM 0 H LEU A 73 -11.603 -2.529 -7.043 1.00 0.00 H new ATOM 0 HA LEU A 73 -12.273 -1.262 -9.526 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -11.020 -0.215 -6.951 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -11.680 0.778 -8.236 1.00 0.00 H new ATOM 0 HG LEU A 73 -13.349 -1.391 -6.907 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -14.265 0.382 -5.440 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -12.525 0.147 -5.149 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.087 1.540 -6.103 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -15.204 0.031 -7.724 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -14.026 1.189 -8.386 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -14.135 -0.455 -9.061 1.00 0.00 H new ATOM 1216 N ASN A 74 -9.198 -2.008 -8.954 1.00 0.00 N ATOM 1217 CA ASN A 74 -7.851 -1.970 -9.488 1.00 0.00 C ATOM 1218 C ASN A 74 -7.808 -2.672 -10.838 1.00 0.00 C ATOM 1219 O ASN A 74 -6.918 -2.417 -11.646 1.00 0.00 O ATOM 1220 CB ASN A 74 -6.896 -2.636 -8.502 1.00 0.00 C ATOM 1221 CG ASN A 74 -6.191 -1.596 -7.642 1.00 0.00 C ATOM 1222 OD1 ASN A 74 -5.754 -0.564 -8.147 1.00 0.00 O ATOM 1223 ND2 ASN A 74 -6.082 -1.870 -6.340 1.00 0.00 N ATOM 0 H ASN A 74 -9.346 -2.719 -8.237 1.00 0.00 H new ATOM 0 HA ASN A 74 -7.543 -0.934 -9.631 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -7.448 -3.327 -7.865 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -6.158 -3.225 -9.046 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -5.619 -1.208 -5.717 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -6.461 -2.741 -5.969 1.00 0.00 H new