USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 486 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.00573 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 14:sc= 0.188 USER MOD Single : A 10 GLN : amide:sc= -1.22 K(o=-1.2,f=-3.1!) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.234 USER MOD Single : A 18 HIS : no HD1:sc= -0.0114 X(o=-0.011,f=-0.0061) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -129:sc= 0.944 (180deg=-0.0274) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 HIS : no HD1:sc= -2.29 K(o=-2.3,f=-4.3!) USER MOD Single : A 32 LYS NZ :NH3+ -141:sc= -0.174 (180deg=-1.58) USER MOD Single : A 33 ASN : amide:sc= -9.69! C(o=-9.7!,f=-11!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 137:sc= 0.55 (180deg=-0.688) USER MOD Single : A 45 SER OG : rot 180:sc= -0.126 USER MOD Single : A 49 CYS SG : rot -17:sc= -0.429 USER MOD Single : A 52 TYR OH : rot 180:sc= -0.214 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 18:sc= 0.818 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.385 X(o=-0.39,f=-0.094) USER MOD Single : A 61 ASN : amide:sc= -0.133 K(o=-0.13,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.176 10.837 17.834 1.00 0.00 N ATOM 2 CA GLY A 1 -12.484 12.010 17.335 1.00 0.00 C ATOM 3 C GLY A 1 -11.134 11.674 16.732 1.00 0.00 C ATOM 4 O GLY A 1 -10.369 10.896 17.301 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.093 11.119 18.236 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.332 10.167 17.054 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.601 10.382 18.571 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.102 12.500 16.583 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.348 12.722 18.149 1.00 0.00 H new ATOM 8 N SER A 2 -10.843 12.260 15.575 1.00 0.00 N ATOM 9 CA SER A 2 -9.579 12.014 14.891 1.00 0.00 C ATOM 10 C SER A 2 -8.715 13.271 14.878 1.00 0.00 C ATOM 11 O SER A 2 -9.176 14.351 14.510 1.00 0.00 O ATOM 12 CB SER A 2 -9.834 11.542 13.458 1.00 0.00 C ATOM 13 OG SER A 2 -8.697 10.882 12.928 1.00 0.00 O ATOM 0 H SER A 2 -11.465 12.908 15.092 1.00 0.00 H new ATOM 0 HA SER A 2 -9.046 11.233 15.434 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.690 10.868 13.441 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.088 12.396 12.830 1.00 0.00 H new ATOM 0 HG SER A 2 -8.886 10.589 12.012 1.00 0.00 H new ATOM 19 N SER A 3 -7.457 13.121 15.282 1.00 0.00 N ATOM 20 CA SER A 3 -6.528 14.244 15.321 1.00 0.00 C ATOM 21 C SER A 3 -5.733 14.337 14.022 1.00 0.00 C ATOM 22 O SER A 3 -5.283 15.414 13.632 1.00 0.00 O ATOM 23 CB SER A 3 -5.573 14.102 16.508 1.00 0.00 C ATOM 24 OG SER A 3 -4.974 12.818 16.529 1.00 0.00 O ATOM 0 H SER A 3 -7.058 12.233 15.587 1.00 0.00 H new ATOM 0 HA SER A 3 -7.108 15.160 15.438 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.799 14.867 16.450 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.116 14.269 17.438 1.00 0.00 H new ATOM 0 HG SER A 3 -4.367 12.753 17.296 1.00 0.00 H new ATOM 30 N GLY A 4 -5.564 13.199 13.356 1.00 0.00 N ATOM 31 CA GLY A 4 -4.824 13.172 12.109 1.00 0.00 C ATOM 32 C GLY A 4 -3.530 12.390 12.219 1.00 0.00 C ATOM 33 O GLY A 4 -2.891 12.378 13.271 1.00 0.00 O ATOM 0 H GLY A 4 -5.927 12.295 13.658 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.446 12.731 11.330 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.602 14.193 11.799 1.00 0.00 H new ATOM 37 N SER A 5 -3.143 11.731 11.130 1.00 0.00 N ATOM 38 CA SER A 5 -1.920 10.938 11.111 1.00 0.00 C ATOM 39 C SER A 5 -0.777 11.719 10.470 1.00 0.00 C ATOM 40 O SER A 5 -0.551 11.630 9.263 1.00 0.00 O ATOM 41 CB SER A 5 -2.148 9.630 10.352 1.00 0.00 C ATOM 42 OG SER A 5 -0.993 8.809 10.390 1.00 0.00 O ATOM 0 H SER A 5 -3.659 11.731 10.250 1.00 0.00 H new ATOM 0 HA SER A 5 -1.648 10.709 12.141 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.992 9.096 10.788 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.409 9.848 9.316 1.00 0.00 H new ATOM 0 HG SER A 5 -1.166 7.979 9.899 1.00 0.00 H new ATOM 48 N SER A 6 -0.058 12.482 11.287 1.00 0.00 N ATOM 49 CA SER A 6 1.060 13.281 10.800 1.00 0.00 C ATOM 50 C SER A 6 2.143 13.408 11.868 1.00 0.00 C ATOM 51 O SER A 6 1.897 13.918 12.960 1.00 0.00 O ATOM 52 CB SER A 6 0.577 14.671 10.381 1.00 0.00 C ATOM 53 OG SER A 6 -0.022 14.636 9.097 1.00 0.00 O ATOM 0 H SER A 6 -0.230 12.564 12.289 1.00 0.00 H new ATOM 0 HA SER A 6 1.485 12.775 9.933 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.141 15.046 11.111 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.417 15.365 10.375 1.00 0.00 H new ATOM 0 HG SER A 6 -0.198 13.706 8.844 1.00 0.00 H new ATOM 59 N GLY A 7 3.343 12.938 11.543 1.00 0.00 N ATOM 60 CA GLY A 7 4.446 13.007 12.484 1.00 0.00 C ATOM 61 C GLY A 7 5.011 11.640 12.817 1.00 0.00 C ATOM 62 O GLY A 7 5.710 11.035 12.004 1.00 0.00 O ATOM 0 H GLY A 7 3.571 12.511 10.645 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.236 13.632 12.067 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.108 13.490 13.401 1.00 0.00 H new ATOM 66 N ASP A 8 4.710 11.154 14.016 1.00 0.00 N ATOM 67 CA ASP A 8 5.193 9.849 14.455 1.00 0.00 C ATOM 68 C ASP A 8 4.540 8.729 13.651 1.00 0.00 C ATOM 69 O ASP A 8 3.327 8.729 13.439 1.00 0.00 O ATOM 70 CB ASP A 8 4.914 9.654 15.946 1.00 0.00 C ATOM 71 CG ASP A 8 5.739 10.583 16.816 1.00 0.00 C ATOM 72 OD1 ASP A 8 5.513 11.809 16.754 1.00 0.00 O ATOM 73 OD2 ASP A 8 6.610 10.083 17.557 1.00 0.00 O ATOM 0 H ASP A 8 4.134 11.643 14.701 1.00 0.00 H new ATOM 0 HA ASP A 8 6.269 9.812 14.287 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.855 9.824 16.140 1.00 0.00 H new ATOM 0 HB3 ASP A 8 5.126 8.621 16.220 1.00 0.00 H new ATOM 78 N ARG A 9 5.352 7.776 13.206 1.00 0.00 N ATOM 79 CA ARG A 9 4.853 6.651 12.424 1.00 0.00 C ATOM 80 C ARG A 9 5.576 5.361 12.803 1.00 0.00 C ATOM 81 O ARG A 9 6.751 5.384 13.168 1.00 0.00 O ATOM 82 CB ARG A 9 5.027 6.925 10.929 1.00 0.00 C ATOM 83 CG ARG A 9 6.479 7.033 10.494 1.00 0.00 C ATOM 84 CD ARG A 9 6.623 7.875 9.236 1.00 0.00 C ATOM 85 NE ARG A 9 6.530 7.068 8.023 1.00 0.00 N ATOM 86 CZ ARG A 9 5.379 6.736 7.448 1.00 0.00 C ATOM 87 NH1 ARG A 9 4.231 7.142 7.972 1.00 0.00 N ATOM 88 NH2 ARG A 9 5.376 5.998 6.345 1.00 0.00 N ATOM 0 H ARG A 9 6.358 7.760 13.373 1.00 0.00 H new ATOM 0 HA ARG A 9 3.792 6.530 12.644 1.00 0.00 H new ATOM 0 HB2 ARG A 9 4.546 6.127 10.364 1.00 0.00 H new ATOM 0 HB3 ARG A 9 4.511 7.851 10.676 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.069 7.474 11.298 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.881 6.036 10.314 1.00 0.00 H new ATOM 0 HD2 ARG A 9 5.848 8.641 9.222 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.582 8.393 9.254 1.00 0.00 H new ATOM 0 HE ARG A 9 7.396 6.741 7.594 1.00 0.00 H new ATOM 0 HH11 ARG A 9 4.230 7.711 8.819 1.00 0.00 H new ATOM 0 HH12 ARG A 9 3.349 6.886 7.528 1.00 0.00 H new ATOM 0 HH21 ARG A 9 6.258 5.685 5.938 1.00 0.00 H new ATOM 0 HH22 ARG A 9 4.492 5.743 5.904 1.00 0.00 H new ATOM 102 N GLN A 10 4.865 4.243 12.714 1.00 0.00 N ATOM 103 CA GLN A 10 5.439 2.944 13.050 1.00 0.00 C ATOM 104 C GLN A 10 4.974 1.875 12.068 1.00 0.00 C ATOM 105 O GLN A 10 3.788 1.550 12.002 1.00 0.00 O ATOM 106 CB GLN A 10 5.056 2.548 14.476 1.00 0.00 C ATOM 107 CG GLN A 10 5.889 3.238 15.544 1.00 0.00 C ATOM 108 CD GLN A 10 5.427 4.655 15.819 1.00 0.00 C ATOM 109 OE1 GLN A 10 4.275 5.005 15.561 1.00 0.00 O ATOM 110 NE2 GLN A 10 6.326 5.479 16.345 1.00 0.00 N ATOM 0 H GLN A 10 3.891 4.209 12.412 1.00 0.00 H new ATOM 0 HA GLN A 10 6.524 3.024 12.983 1.00 0.00 H new ATOM 0 HB2 GLN A 10 4.004 2.783 14.639 1.00 0.00 H new ATOM 0 HB3 GLN A 10 5.162 1.469 14.585 1.00 0.00 H new ATOM 0 HG2 GLN A 10 5.842 2.659 16.466 1.00 0.00 H new ATOM 0 HG3 GLN A 10 6.933 3.255 15.231 1.00 0.00 H new ATOM 0 HE21 GLN A 10 7.270 5.146 16.542 1.00 0.00 H new ATOM 0 HE22 GLN A 10 6.073 6.445 16.552 1.00 0.00 H new ATOM 119 N PHE A 11 5.916 1.327 11.307 1.00 0.00 N ATOM 120 CA PHE A 11 5.603 0.293 10.327 1.00 0.00 C ATOM 121 C PHE A 11 4.267 0.576 9.646 1.00 0.00 C ATOM 122 O PHE A 11 3.462 -0.329 9.433 1.00 0.00 O ATOM 123 CB PHE A 11 5.564 -1.080 10.999 1.00 0.00 C ATOM 124 CG PHE A 11 6.745 -1.346 11.889 1.00 0.00 C ATOM 125 CD1 PHE A 11 8.008 -1.532 11.349 1.00 0.00 C ATOM 126 CD2 PHE A 11 6.592 -1.409 13.264 1.00 0.00 C ATOM 127 CE1 PHE A 11 9.096 -1.777 12.165 1.00 0.00 C ATOM 128 CE2 PHE A 11 7.677 -1.653 14.085 1.00 0.00 C ATOM 129 CZ PHE A 11 8.931 -1.838 13.535 1.00 0.00 C ATOM 0 H PHE A 11 6.903 1.582 11.350 1.00 0.00 H new ATOM 0 HA PHE A 11 6.386 0.297 9.569 1.00 0.00 H new ATOM 0 HB2 PHE A 11 4.650 -1.162 11.587 1.00 0.00 H new ATOM 0 HB3 PHE A 11 5.518 -1.851 10.230 1.00 0.00 H new ATOM 0 HD1 PHE A 11 8.143 -1.485 10.279 1.00 0.00 H new ATOM 0 HD2 PHE A 11 5.614 -1.266 13.700 1.00 0.00 H new ATOM 0 HE1 PHE A 11 10.075 -1.921 11.732 1.00 0.00 H new ATOM 0 HE2 PHE A 11 7.545 -1.699 15.156 1.00 0.00 H new ATOM 0 HZ PHE A 11 9.780 -2.030 14.175 1.00 0.00 H new ATOM 139 N MET A 12 4.039 1.842 9.307 1.00 0.00 N ATOM 140 CA MET A 12 2.802 2.245 8.649 1.00 0.00 C ATOM 141 C MET A 12 3.080 2.779 7.247 1.00 0.00 C ATOM 142 O MET A 12 3.929 3.649 7.062 1.00 0.00 O ATOM 143 CB MET A 12 2.081 3.309 9.479 1.00 0.00 C ATOM 144 CG MET A 12 0.576 3.330 9.266 1.00 0.00 C ATOM 145 SD MET A 12 -0.205 1.756 9.672 1.00 0.00 S ATOM 146 CE MET A 12 -1.410 2.280 10.889 1.00 0.00 C ATOM 0 H MET A 12 4.694 2.605 9.477 1.00 0.00 H new ATOM 0 HA MET A 12 2.163 1.366 8.563 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.288 3.136 10.535 1.00 0.00 H new ATOM 0 HB3 MET A 12 2.488 4.289 9.231 1.00 0.00 H new ATOM 0 HG2 MET A 12 0.137 4.118 9.879 1.00 0.00 H new ATOM 0 HG3 MET A 12 0.364 3.579 8.226 1.00 0.00 H new ATOM 0 HE1 MET A 12 -1.975 1.415 11.237 1.00 0.00 H new ATOM 0 HE2 MET A 12 -0.898 2.743 11.733 1.00 0.00 H new ATOM 0 HE3 MET A 12 -2.092 3.001 10.439 1.00 0.00 H new ATOM 156 N ASN A 13 2.358 2.251 6.264 1.00 0.00 N ATOM 157 CA ASN A 13 2.529 2.675 4.879 1.00 0.00 C ATOM 158 C ASN A 13 1.177 2.890 4.205 1.00 0.00 C ATOM 159 O ASN A 13 0.139 2.480 4.726 1.00 0.00 O ATOM 160 CB ASN A 13 3.338 1.635 4.101 1.00 0.00 C ATOM 161 CG ASN A 13 4.833 1.865 4.212 1.00 0.00 C ATOM 162 OD1 ASN A 13 5.536 1.131 4.907 1.00 0.00 O ATOM 163 ND2 ASN A 13 5.326 2.889 3.525 1.00 0.00 N ATOM 0 H ASN A 13 1.650 1.530 6.400 1.00 0.00 H new ATOM 0 HA ASN A 13 3.070 3.621 4.880 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.098 0.639 4.473 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.046 1.662 3.051 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.325 3.093 3.560 1.00 0.00 H new ATOM 0 HD22 ASN A 13 4.706 3.471 2.962 1.00 0.00 H new ATOM 170 N VAL A 14 1.196 3.536 3.044 1.00 0.00 N ATOM 171 CA VAL A 14 -0.027 3.805 2.298 1.00 0.00 C ATOM 172 C VAL A 14 -0.217 2.795 1.171 1.00 0.00 C ATOM 173 O VAL A 14 0.729 2.464 0.455 1.00 0.00 O ATOM 174 CB VAL A 14 -0.022 5.226 1.703 1.00 0.00 C ATOM 175 CG1 VAL A 14 -1.283 5.469 0.889 1.00 0.00 C ATOM 176 CG2 VAL A 14 0.119 6.264 2.806 1.00 0.00 C ATOM 0 H VAL A 14 2.046 3.883 2.599 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.853 3.718 3.004 1.00 0.00 H new ATOM 0 HB VAL A 14 0.835 5.319 1.036 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.261 6.478 0.477 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.336 4.746 0.075 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.157 5.358 1.530 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.121 7.262 2.368 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.717 6.174 3.500 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.054 6.101 3.342 1.00 0.00 H new ATOM 186 N TRP A 15 -1.444 2.310 1.019 1.00 0.00 N ATOM 187 CA TRP A 15 -1.758 1.338 -0.022 1.00 0.00 C ATOM 188 C TRP A 15 -2.207 2.036 -1.301 1.00 0.00 C ATOM 189 O TRP A 15 -3.098 2.885 -1.277 1.00 0.00 O ATOM 190 CB TRP A 15 -2.847 0.378 0.460 1.00 0.00 C ATOM 191 CG TRP A 15 -2.346 -0.652 1.426 1.00 0.00 C ATOM 192 CD1 TRP A 15 -2.147 -0.490 2.768 1.00 0.00 C ATOM 193 CD2 TRP A 15 -1.978 -2.002 1.125 1.00 0.00 C ATOM 194 NE1 TRP A 15 -1.678 -1.658 3.318 1.00 0.00 N ATOM 195 CE2 TRP A 15 -1.566 -2.601 2.332 1.00 0.00 C ATOM 196 CE3 TRP A 15 -1.958 -2.764 -0.046 1.00 0.00 C ATOM 197 CZ2 TRP A 15 -1.140 -3.925 2.398 1.00 0.00 C ATOM 198 CZ3 TRP A 15 -1.533 -4.078 0.021 1.00 0.00 C ATOM 199 CH2 TRP A 15 -1.130 -4.648 1.236 1.00 0.00 C ATOM 0 H TRP A 15 -2.238 2.574 1.603 1.00 0.00 H new ATOM 0 HA TRP A 15 -0.853 0.770 -0.239 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -3.644 0.952 0.933 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -3.285 -0.125 -0.402 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -2.331 0.422 3.316 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -1.450 -1.800 4.302 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -2.269 -2.334 -0.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -0.828 -4.366 3.333 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -1.511 -4.675 -0.879 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -0.805 -5.678 1.256 1.00 0.00 H new ATOM 210 N THR A 16 -1.585 1.672 -2.418 1.00 0.00 N ATOM 211 CA THR A 16 -1.920 2.265 -3.707 1.00 0.00 C ATOM 212 C THR A 16 -2.792 1.325 -4.533 1.00 0.00 C ATOM 213 O THR A 16 -3.066 0.197 -4.124 1.00 0.00 O ATOM 214 CB THR A 16 -0.654 2.613 -4.512 1.00 0.00 C ATOM 215 OG1 THR A 16 -1.018 3.148 -5.789 1.00 0.00 O ATOM 216 CG2 THR A 16 0.221 1.383 -4.702 1.00 0.00 C ATOM 0 H THR A 16 -0.847 0.969 -2.456 1.00 0.00 H new ATOM 0 HA THR A 16 -2.472 3.182 -3.500 1.00 0.00 H new ATOM 0 HB THR A 16 -0.088 3.359 -3.954 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.208 3.368 -6.294 1.00 0.00 H new ATOM 0 HG21 THR A 16 1.109 1.653 -5.273 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.520 0.995 -3.728 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.338 0.618 -5.241 1.00 0.00 H new ATOM 224 N ASP A 17 -3.224 1.798 -5.697 1.00 0.00 N ATOM 225 CA ASP A 17 -4.064 0.998 -6.582 1.00 0.00 C ATOM 226 C ASP A 17 -3.362 -0.298 -6.973 1.00 0.00 C ATOM 227 O ASP A 17 -3.962 -1.373 -6.949 1.00 0.00 O ATOM 228 CB ASP A 17 -4.423 1.797 -7.836 1.00 0.00 C ATOM 229 CG ASP A 17 -5.488 2.843 -7.571 1.00 0.00 C ATOM 230 OD1 ASP A 17 -5.143 3.921 -7.042 1.00 0.00 O ATOM 231 OD2 ASP A 17 -6.666 2.585 -7.895 1.00 0.00 O ATOM 0 H ASP A 17 -3.007 2.730 -6.050 1.00 0.00 H new ATOM 0 HA ASP A 17 -4.979 0.746 -6.046 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.527 2.284 -8.222 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -4.773 1.114 -8.610 1.00 0.00 H new ATOM 236 N HIS A 18 -2.087 -0.189 -7.335 1.00 0.00 N ATOM 237 CA HIS A 18 -1.303 -1.353 -7.732 1.00 0.00 C ATOM 238 C HIS A 18 -1.334 -2.425 -6.646 1.00 0.00 C ATOM 239 O HIS A 18 -1.946 -3.478 -6.819 1.00 0.00 O ATOM 240 CB HIS A 18 0.142 -0.946 -8.022 1.00 0.00 C ATOM 241 CG HIS A 18 0.310 -0.220 -9.321 1.00 0.00 C ATOM 242 ND1 HIS A 18 1.230 -0.594 -10.278 1.00 0.00 N ATOM 243 CD2 HIS A 18 -0.331 0.862 -9.820 1.00 0.00 C ATOM 244 CE1 HIS A 18 1.148 0.228 -11.309 1.00 0.00 C ATOM 245 NE2 HIS A 18 0.208 1.121 -11.057 1.00 0.00 N ATOM 0 H HIS A 18 -1.575 0.693 -7.361 1.00 0.00 H new ATOM 0 HA HIS A 18 -1.745 -1.766 -8.639 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.502 -0.312 -7.212 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.768 -1.839 -8.030 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -1.120 1.419 -9.336 1.00 0.00 H new ATOM 0 HE1 HIS A 18 1.748 0.178 -12.206 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -0.072 1.879 -11.679 1.00 0.00 H new ATOM 253 N GLU A 19 -0.669 -2.148 -5.529 1.00 0.00 N ATOM 254 CA GLU A 19 -0.620 -3.090 -4.417 1.00 0.00 C ATOM 255 C GLU A 19 -1.935 -3.853 -4.292 1.00 0.00 C ATOM 256 O GLU A 19 -1.951 -5.083 -4.244 1.00 0.00 O ATOM 257 CB GLU A 19 -0.318 -2.355 -3.110 1.00 0.00 C ATOM 258 CG GLU A 19 1.021 -1.637 -3.110 1.00 0.00 C ATOM 259 CD GLU A 19 2.197 -2.595 -3.141 1.00 0.00 C ATOM 260 OE1 GLU A 19 2.482 -3.150 -4.222 1.00 0.00 O ATOM 261 OE2 GLU A 19 2.831 -2.788 -2.082 1.00 0.00 O ATOM 0 H GLU A 19 -0.157 -1.280 -5.370 1.00 0.00 H new ATOM 0 HA GLU A 19 0.178 -3.806 -4.616 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.109 -1.630 -2.920 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.337 -3.071 -2.288 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.074 -0.975 -3.974 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.092 -1.009 -2.222 1.00 0.00 H new ATOM 268 N LYS A 20 -3.038 -3.114 -4.239 1.00 0.00 N ATOM 269 CA LYS A 20 -4.360 -3.719 -4.120 1.00 0.00 C ATOM 270 C LYS A 20 -4.540 -4.839 -5.140 1.00 0.00 C ATOM 271 O LYS A 20 -4.910 -5.958 -4.787 1.00 0.00 O ATOM 272 CB LYS A 20 -5.447 -2.659 -4.313 1.00 0.00 C ATOM 273 CG LYS A 20 -5.579 -1.702 -3.141 1.00 0.00 C ATOM 274 CD LYS A 20 -6.617 -0.626 -3.413 1.00 0.00 C ATOM 275 CE LYS A 20 -8.017 -1.100 -3.058 1.00 0.00 C ATOM 276 NZ LYS A 20 -9.066 -0.263 -3.703 1.00 0.00 N ATOM 0 H LYS A 20 -3.043 -2.095 -4.277 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.449 -4.145 -3.120 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.229 -2.087 -5.215 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.403 -3.157 -4.474 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.856 -2.258 -2.246 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.614 -1.236 -2.941 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.377 0.267 -2.836 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.583 -0.344 -4.465 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.139 -2.138 -3.368 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.146 -1.074 -1.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.006 -0.618 -3.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.966 0.723 -3.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.959 -0.308 -4.737 1.00 0.00 H new ATOM 290 N GLU A 21 -4.274 -4.530 -6.405 1.00 0.00 N ATOM 291 CA GLU A 21 -4.406 -5.511 -7.475 1.00 0.00 C ATOM 292 C GLU A 21 -3.728 -6.824 -7.095 1.00 0.00 C ATOM 293 O GLU A 21 -4.378 -7.866 -7.003 1.00 0.00 O ATOM 294 CB GLU A 21 -3.802 -4.969 -8.772 1.00 0.00 C ATOM 295 CG GLU A 21 -4.635 -3.876 -9.422 1.00 0.00 C ATOM 296 CD GLU A 21 -3.973 -3.295 -10.656 1.00 0.00 C ATOM 297 OE1 GLU A 21 -3.383 -4.071 -11.435 1.00 0.00 O ATOM 298 OE2 GLU A 21 -4.046 -2.062 -10.842 1.00 0.00 O ATOM 0 H GLU A 21 -3.966 -3.608 -6.714 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.468 -5.701 -7.630 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.806 -4.579 -8.564 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.682 -5.791 -9.478 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.610 -4.280 -9.694 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.810 -3.079 -8.699 1.00 0.00 H new ATOM 305 N ILE A 22 -2.419 -6.766 -6.877 1.00 0.00 N ATOM 306 CA ILE A 22 -1.653 -7.950 -6.507 1.00 0.00 C ATOM 307 C ILE A 22 -2.311 -8.691 -5.347 1.00 0.00 C ATOM 308 O ILE A 22 -2.740 -9.835 -5.491 1.00 0.00 O ATOM 309 CB ILE A 22 -0.208 -7.586 -6.115 1.00 0.00 C ATOM 310 CG1 ILE A 22 0.498 -6.886 -7.278 1.00 0.00 C ATOM 311 CG2 ILE A 22 0.557 -8.833 -5.697 1.00 0.00 C ATOM 312 CD1 ILE A 22 1.738 -6.126 -6.863 1.00 0.00 C ATOM 0 H ILE A 22 -1.866 -5.912 -6.950 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.631 -8.598 -7.383 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.238 -6.901 -5.268 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.771 -7.629 -8.027 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.199 -6.196 -7.753 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.576 -8.560 -5.423 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.062 -9.294 -4.842 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.581 -9.540 -6.526 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.186 -5.655 -7.738 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.469 -5.359 -6.137 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.454 -6.815 -6.415 1.00 0.00 H new ATOM 324 N PHE A 23 -2.389 -8.028 -4.198 1.00 0.00 N ATOM 325 CA PHE A 23 -2.996 -8.622 -3.013 1.00 0.00 C ATOM 326 C PHE A 23 -4.332 -9.274 -3.355 1.00 0.00 C ATOM 327 O PHE A 23 -4.664 -10.344 -2.842 1.00 0.00 O ATOM 328 CB PHE A 23 -3.196 -7.560 -1.929 1.00 0.00 C ATOM 329 CG PHE A 23 -3.979 -8.052 -0.746 1.00 0.00 C ATOM 330 CD1 PHE A 23 -5.324 -8.365 -0.869 1.00 0.00 C ATOM 331 CD2 PHE A 23 -3.372 -8.202 0.490 1.00 0.00 C ATOM 332 CE1 PHE A 23 -6.047 -8.816 0.218 1.00 0.00 C ATOM 333 CE2 PHE A 23 -4.090 -8.655 1.582 1.00 0.00 C ATOM 334 CZ PHE A 23 -5.429 -8.962 1.445 1.00 0.00 C ATOM 0 H PHE A 23 -2.040 -7.079 -4.062 1.00 0.00 H new ATOM 0 HA PHE A 23 -2.322 -9.392 -2.637 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.221 -7.211 -1.589 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -3.709 -6.702 -2.363 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -5.812 -8.255 -1.826 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.325 -7.962 0.602 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -7.095 -9.054 0.109 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -3.604 -8.768 2.540 1.00 0.00 H new ATOM 0 HZ PHE A 23 -5.993 -9.316 2.296 1.00 0.00 H new ATOM 344 N LYS A 24 -5.096 -8.622 -4.225 1.00 0.00 N ATOM 345 CA LYS A 24 -6.396 -9.136 -4.638 1.00 0.00 C ATOM 346 C LYS A 24 -6.241 -10.413 -5.458 1.00 0.00 C ATOM 347 O LYS A 24 -7.027 -11.351 -5.319 1.00 0.00 O ATOM 348 CB LYS A 24 -7.149 -8.083 -5.453 1.00 0.00 C ATOM 349 CG LYS A 24 -8.534 -8.528 -5.891 1.00 0.00 C ATOM 350 CD LYS A 24 -9.540 -8.417 -4.757 1.00 0.00 C ATOM 351 CE LYS A 24 -10.963 -8.618 -5.254 1.00 0.00 C ATOM 352 NZ LYS A 24 -11.583 -7.335 -5.691 1.00 0.00 N ATOM 0 H LYS A 24 -4.837 -7.736 -4.658 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.968 -9.369 -3.740 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.240 -7.173 -4.860 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.562 -7.831 -6.336 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.864 -7.918 -6.732 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.492 -9.559 -6.242 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.312 -9.160 -3.993 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.453 -7.438 -4.286 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.961 -9.323 -6.086 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.566 -9.062 -4.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.552 -7.513 -6.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.608 -6.671 -4.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.022 -6.924 -6.465 1.00 0.00 H new ATOM 366 N ASP A 25 -5.223 -10.444 -6.310 1.00 0.00 N ATOM 367 CA ASP A 25 -4.963 -11.606 -7.150 1.00 0.00 C ATOM 368 C ASP A 25 -4.763 -12.858 -6.300 1.00 0.00 C ATOM 369 O ASP A 25 -5.508 -13.830 -6.422 1.00 0.00 O ATOM 370 CB ASP A 25 -3.731 -11.366 -8.024 1.00 0.00 C ATOM 371 CG ASP A 25 -4.080 -10.733 -9.356 1.00 0.00 C ATOM 372 OD1 ASP A 25 -4.996 -11.243 -10.034 1.00 0.00 O ATOM 373 OD2 ASP A 25 -3.437 -9.724 -9.719 1.00 0.00 O ATOM 0 H ASP A 25 -4.563 -9.676 -6.437 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.830 -11.759 -7.793 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.031 -10.722 -7.491 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.222 -12.314 -8.198 1.00 0.00 H new ATOM 378 N LYS A 26 -3.752 -12.825 -5.439 1.00 0.00 N ATOM 379 CA LYS A 26 -3.453 -13.957 -4.567 1.00 0.00 C ATOM 380 C LYS A 26 -4.731 -14.531 -3.965 1.00 0.00 C ATOM 381 O LYS A 26 -5.059 -15.698 -4.178 1.00 0.00 O ATOM 382 CB LYS A 26 -2.498 -13.526 -3.451 1.00 0.00 C ATOM 383 CG LYS A 26 -1.031 -13.667 -3.818 1.00 0.00 C ATOM 384 CD LYS A 26 -0.548 -12.490 -4.648 1.00 0.00 C ATOM 385 CE LYS A 26 -0.736 -12.743 -6.136 1.00 0.00 C ATOM 386 NZ LYS A 26 0.314 -13.648 -6.681 1.00 0.00 N ATOM 0 H LYS A 26 -3.126 -12.028 -5.326 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.976 -14.732 -5.167 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.701 -12.487 -3.192 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.700 -14.122 -2.561 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.433 -13.742 -2.910 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.882 -14.592 -4.375 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.093 -11.591 -4.359 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.506 -12.304 -4.440 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.719 -13.181 -6.309 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.712 -11.794 -6.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.740 -13.216 -7.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.049 -13.800 -5.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.113 -14.561 -6.937 1.00 0.00 H new ATOM 400 N PHE A 27 -5.449 -13.705 -3.212 1.00 0.00 N ATOM 401 CA PHE A 27 -6.691 -14.132 -2.579 1.00 0.00 C ATOM 402 C PHE A 27 -7.449 -15.111 -3.472 1.00 0.00 C ATOM 403 O PHE A 27 -7.987 -16.111 -2.998 1.00 0.00 O ATOM 404 CB PHE A 27 -7.573 -12.920 -2.268 1.00 0.00 C ATOM 405 CG PHE A 27 -8.748 -13.243 -1.390 1.00 0.00 C ATOM 406 CD1 PHE A 27 -8.637 -13.177 -0.011 1.00 0.00 C ATOM 407 CD2 PHE A 27 -9.962 -13.615 -1.944 1.00 0.00 C ATOM 408 CE1 PHE A 27 -9.716 -13.472 0.801 1.00 0.00 C ATOM 409 CE2 PHE A 27 -11.045 -13.911 -1.138 1.00 0.00 C ATOM 410 CZ PHE A 27 -10.922 -13.842 0.236 1.00 0.00 C ATOM 0 H PHE A 27 -5.192 -12.736 -3.025 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.439 -14.638 -1.647 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.967 -12.155 -1.783 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.935 -12.495 -3.204 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.696 -12.892 0.435 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -10.063 -13.674 -3.018 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -9.617 -13.414 1.875 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -11.987 -14.196 -1.582 1.00 0.00 H new ATOM 0 HZ PHE A 27 -11.766 -14.077 0.867 1.00 0.00 H new ATOM 420 N ILE A 28 -7.486 -14.812 -4.767 1.00 0.00 N ATOM 421 CA ILE A 28 -8.177 -15.665 -5.727 1.00 0.00 C ATOM 422 C ILE A 28 -7.654 -17.097 -5.666 1.00 0.00 C ATOM 423 O ILE A 28 -8.431 -18.049 -5.604 1.00 0.00 O ATOM 424 CB ILE A 28 -8.022 -15.134 -7.164 1.00 0.00 C ATOM 425 CG1 ILE A 28 -8.334 -13.637 -7.215 1.00 0.00 C ATOM 426 CG2 ILE A 28 -8.930 -15.903 -8.113 1.00 0.00 C ATOM 427 CD1 ILE A 28 -9.675 -13.280 -6.614 1.00 0.00 C ATOM 0 H ILE A 28 -7.046 -13.987 -5.175 1.00 0.00 H new ATOM 0 HA ILE A 28 -9.233 -15.655 -5.457 1.00 0.00 H new ATOM 0 HB ILE A 28 -6.989 -15.281 -7.481 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.551 -13.093 -6.687 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.309 -13.304 -8.253 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -8.810 -15.516 -9.125 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.664 -16.960 -8.094 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -9.967 -15.784 -7.800 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -9.830 -12.203 -6.684 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -10.466 -13.797 -7.157 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -9.696 -13.582 -5.567 1.00 0.00 H new ATOM 439 N GLN A 29 -6.333 -17.240 -5.682 1.00 0.00 N ATOM 440 CA GLN A 29 -5.706 -18.555 -5.627 1.00 0.00 C ATOM 441 C GLN A 29 -5.862 -19.174 -4.242 1.00 0.00 C ATOM 442 O GLN A 29 -6.259 -20.333 -4.111 1.00 0.00 O ATOM 443 CB GLN A 29 -4.224 -18.452 -5.990 1.00 0.00 C ATOM 444 CG GLN A 29 -3.948 -18.618 -7.475 1.00 0.00 C ATOM 445 CD GLN A 29 -2.469 -18.555 -7.805 1.00 0.00 C ATOM 446 OE1 GLN A 29 -1.866 -17.481 -7.799 1.00 0.00 O ATOM 447 NE2 GLN A 29 -1.877 -19.708 -8.094 1.00 0.00 N ATOM 0 H GLN A 29 -5.676 -16.461 -5.733 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.205 -19.199 -6.351 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.845 -17.483 -5.665 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -3.670 -19.212 -5.439 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.351 -19.574 -7.811 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.473 -17.839 -8.028 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.416 -20.574 -8.087 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.883 -19.728 -8.323 1.00 0.00 H new ATOM 456 N HIS A 30 -5.546 -18.396 -3.212 1.00 0.00 N ATOM 457 CA HIS A 30 -5.651 -18.869 -1.836 1.00 0.00 C ATOM 458 C HIS A 30 -6.177 -17.767 -0.921 1.00 0.00 C ATOM 459 O HIS A 30 -5.464 -16.827 -0.570 1.00 0.00 O ATOM 460 CB HIS A 30 -4.290 -19.358 -1.337 1.00 0.00 C ATOM 461 CG HIS A 30 -4.380 -20.284 -0.164 1.00 0.00 C ATOM 462 ND1 HIS A 30 -5.344 -20.167 0.815 1.00 0.00 N ATOM 463 CD2 HIS A 30 -3.619 -21.347 0.184 1.00 0.00 C ATOM 464 CE1 HIS A 30 -5.172 -21.119 1.715 1.00 0.00 C ATOM 465 NE2 HIS A 30 -4.131 -21.849 1.355 1.00 0.00 N ATOM 0 H HIS A 30 -5.215 -17.436 -3.304 1.00 0.00 H new ATOM 0 HA HIS A 30 -6.356 -19.700 -1.816 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -3.775 -19.866 -2.152 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -3.681 -18.496 -1.063 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -2.767 -21.730 -0.358 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -5.779 -21.274 2.595 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -3.767 -22.654 1.864 1.00 0.00 H new ATOM 473 N PRO A 31 -7.453 -17.884 -0.527 1.00 0.00 N ATOM 474 CA PRO A 31 -8.102 -16.906 0.352 1.00 0.00 C ATOM 475 C PRO A 31 -7.556 -16.953 1.774 1.00 0.00 C ATOM 476 O PRO A 31 -7.144 -18.007 2.259 1.00 0.00 O ATOM 477 CB PRO A 31 -9.573 -17.332 0.330 1.00 0.00 C ATOM 478 CG PRO A 31 -9.542 -18.785 0.002 1.00 0.00 C ATOM 479 CD PRO A 31 -8.361 -18.979 -0.907 1.00 0.00 C ATOM 0 HA PRO A 31 -7.935 -15.882 0.017 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.051 -17.154 1.293 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -10.137 -16.770 -0.415 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -9.442 -19.387 0.905 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -10.466 -19.095 -0.487 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -7.897 -19.954 -0.760 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.648 -18.917 -1.957 1.00 0.00 H new ATOM 487 N LYS A 32 -7.555 -15.804 2.441 1.00 0.00 N ATOM 488 CA LYS A 32 -7.060 -15.712 3.809 1.00 0.00 C ATOM 489 C LYS A 32 -5.676 -16.341 3.931 1.00 0.00 C ATOM 490 O LYS A 32 -5.299 -16.833 4.994 1.00 0.00 O ATOM 491 CB LYS A 32 -8.032 -16.401 4.771 1.00 0.00 C ATOM 492 CG LYS A 32 -9.475 -15.964 4.594 1.00 0.00 C ATOM 493 CD LYS A 32 -10.444 -17.014 5.111 1.00 0.00 C ATOM 494 CE LYS A 32 -10.546 -16.979 6.628 1.00 0.00 C ATOM 495 NZ LYS A 32 -9.399 -17.674 7.276 1.00 0.00 N ATOM 0 H LYS A 32 -7.892 -14.922 2.055 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.984 -14.657 4.072 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.968 -17.480 4.628 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.722 -16.196 5.796 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.639 -15.025 5.123 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.672 -15.774 3.539 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.429 -16.848 4.675 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.116 -18.003 4.790 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.581 -15.943 6.966 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.479 -17.448 6.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.737 -18.205 8.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.963 -18.331 6.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.694 -16.972 7.579 1.00 0.00 H new ATOM 509 N ASN A 33 -4.924 -16.321 2.836 1.00 0.00 N ATOM 510 CA ASN A 33 -3.580 -16.889 2.821 1.00 0.00 C ATOM 511 C ASN A 33 -2.525 -15.792 2.915 1.00 0.00 C ATOM 512 O ASN A 33 -1.434 -15.917 2.357 1.00 0.00 O ATOM 513 CB ASN A 33 -3.366 -17.712 1.549 1.00 0.00 C ATOM 514 CG ASN A 33 -2.780 -16.888 0.419 1.00 0.00 C ATOM 515 OD1 ASN A 33 -1.836 -17.311 -0.249 1.00 0.00 O ATOM 516 ND2 ASN A 33 -3.339 -15.703 0.200 1.00 0.00 N ATOM 0 H ASN A 33 -5.222 -15.918 1.948 1.00 0.00 H new ATOM 0 HA ASN A 33 -3.478 -17.541 3.689 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.702 -18.548 1.768 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -4.318 -18.137 1.230 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -2.988 -15.103 -0.547 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -4.120 -15.393 0.778 1.00 0.00 H new ATOM 523 N PHE A 34 -2.856 -14.719 3.624 1.00 0.00 N ATOM 524 CA PHE A 34 -1.937 -13.599 3.791 1.00 0.00 C ATOM 525 C PHE A 34 -0.493 -14.087 3.862 1.00 0.00 C ATOM 526 O PHE A 34 0.404 -13.493 3.264 1.00 0.00 O ATOM 527 CB PHE A 34 -2.284 -12.811 5.057 1.00 0.00 C ATOM 528 CG PHE A 34 -3.724 -12.392 5.126 1.00 0.00 C ATOM 529 CD1 PHE A 34 -4.687 -13.252 5.629 1.00 0.00 C ATOM 530 CD2 PHE A 34 -4.116 -11.137 4.688 1.00 0.00 C ATOM 531 CE1 PHE A 34 -6.013 -12.870 5.693 1.00 0.00 C ATOM 532 CE2 PHE A 34 -5.441 -10.748 4.750 1.00 0.00 C ATOM 533 CZ PHE A 34 -6.390 -11.615 5.254 1.00 0.00 C ATOM 0 H PHE A 34 -3.754 -14.601 4.093 1.00 0.00 H new ATOM 0 HA PHE A 34 -2.039 -12.945 2.925 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.049 -13.420 5.930 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.653 -11.924 5.108 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.397 -14.233 5.975 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.378 -10.455 4.294 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.754 -13.551 6.085 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -5.733 -9.767 4.405 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.426 -11.313 5.305 1.00 0.00 H new ATOM 543 N GLY A 35 -0.276 -15.172 4.598 1.00 0.00 N ATOM 544 CA GLY A 35 1.060 -15.721 4.735 1.00 0.00 C ATOM 545 C GLY A 35 1.879 -15.578 3.467 1.00 0.00 C ATOM 546 O GLY A 35 3.033 -15.148 3.510 1.00 0.00 O ATOM 0 H GLY A 35 -1.002 -15.681 5.102 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.574 -15.218 5.554 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.990 -16.776 5.002 1.00 0.00 H new ATOM 550 N LEU A 36 1.283 -15.936 2.336 1.00 0.00 N ATOM 551 CA LEU A 36 1.965 -15.846 1.050 1.00 0.00 C ATOM 552 C LEU A 36 1.891 -14.429 0.492 1.00 0.00 C ATOM 553 O LEU A 36 2.907 -13.849 0.108 1.00 0.00 O ATOM 554 CB LEU A 36 1.350 -16.832 0.054 1.00 0.00 C ATOM 555 CG LEU A 36 1.658 -16.573 -1.422 1.00 0.00 C ATOM 556 CD1 LEU A 36 3.046 -17.085 -1.774 1.00 0.00 C ATOM 557 CD2 LEU A 36 0.606 -17.226 -2.308 1.00 0.00 C ATOM 0 H LEU A 36 0.328 -16.292 2.283 1.00 0.00 H new ATOM 0 HA LEU A 36 3.013 -16.101 1.204 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.694 -17.835 0.306 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.268 -16.824 0.186 1.00 0.00 H new ATOM 0 HG LEU A 36 1.634 -15.497 -1.596 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.248 -16.893 -2.828 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.789 -16.573 -1.162 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.097 -18.157 -1.585 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.840 -17.032 -3.355 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.598 -18.302 -2.131 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.375 -16.813 -2.073 1.00 0.00 H new ATOM 569 N ILE A 37 0.683 -13.877 0.453 1.00 0.00 N ATOM 570 CA ILE A 37 0.477 -12.526 -0.054 1.00 0.00 C ATOM 571 C ILE A 37 1.589 -11.590 0.409 1.00 0.00 C ATOM 572 O ILE A 37 2.085 -10.769 -0.363 1.00 0.00 O ATOM 573 CB ILE A 37 -0.880 -11.955 0.398 1.00 0.00 C ATOM 574 CG1 ILE A 37 -2.019 -12.868 -0.060 1.00 0.00 C ATOM 575 CG2 ILE A 37 -1.071 -10.548 -0.148 1.00 0.00 C ATOM 576 CD1 ILE A 37 -3.386 -12.399 0.387 1.00 0.00 C ATOM 0 H ILE A 37 -0.168 -14.344 0.766 1.00 0.00 H new ATOM 0 HA ILE A 37 0.489 -12.592 -1.142 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.893 -11.906 1.487 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.005 -12.936 -1.148 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.845 -13.873 0.324 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.035 -10.158 0.180 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.274 -9.903 0.221 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.042 -10.573 -1.237 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -4.145 -13.094 0.027 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.419 -12.358 1.476 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.581 -11.406 -0.019 1.00 0.00 H new ATOM 588 N ALA A 38 1.975 -11.719 1.674 1.00 0.00 N ATOM 589 CA ALA A 38 3.030 -10.887 2.239 1.00 0.00 C ATOM 590 C ALA A 38 4.351 -11.105 1.510 1.00 0.00 C ATOM 591 O ALA A 38 4.970 -10.156 1.028 1.00 0.00 O ATOM 592 CB ALA A 38 3.192 -11.177 3.724 1.00 0.00 C ATOM 0 H ALA A 38 1.573 -12.392 2.327 1.00 0.00 H new ATOM 0 HA ALA A 38 2.742 -9.843 2.112 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.983 -10.549 4.133 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.256 -10.964 4.240 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.453 -12.226 3.863 1.00 0.00 H new ATOM 598 N SER A 39 4.778 -12.363 1.431 1.00 0.00 N ATOM 599 CA SER A 39 6.029 -12.705 0.764 1.00 0.00 C ATOM 600 C SER A 39 6.198 -11.896 -0.519 1.00 0.00 C ATOM 601 O SER A 39 7.207 -11.216 -0.710 1.00 0.00 O ATOM 602 CB SER A 39 6.070 -14.200 0.448 1.00 0.00 C ATOM 603 OG SER A 39 6.041 -14.974 1.635 1.00 0.00 O ATOM 0 H SER A 39 4.276 -13.161 1.821 1.00 0.00 H new ATOM 0 HA SER A 39 6.851 -12.461 1.437 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.222 -14.465 -0.183 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.973 -14.430 -0.118 1.00 0.00 H new ATOM 0 HG SER A 39 6.066 -15.926 1.405 1.00 0.00 H new ATOM 609 N TYR A 40 5.204 -11.976 -1.396 1.00 0.00 N ATOM 610 CA TYR A 40 5.243 -11.255 -2.663 1.00 0.00 C ATOM 611 C TYR A 40 5.488 -9.767 -2.436 1.00 0.00 C ATOM 612 O TYR A 40 6.421 -9.188 -2.993 1.00 0.00 O ATOM 613 CB TYR A 40 3.934 -11.458 -3.429 1.00 0.00 C ATOM 614 CG TYR A 40 3.937 -12.679 -4.321 1.00 0.00 C ATOM 615 CD1 TYR A 40 4.967 -12.898 -5.228 1.00 0.00 C ATOM 616 CD2 TYR A 40 2.909 -13.611 -4.259 1.00 0.00 C ATOM 617 CE1 TYR A 40 4.974 -14.012 -6.045 1.00 0.00 C ATOM 618 CE2 TYR A 40 2.908 -14.729 -5.072 1.00 0.00 C ATOM 619 CZ TYR A 40 3.942 -14.924 -5.963 1.00 0.00 C ATOM 620 OH TYR A 40 3.944 -16.035 -6.776 1.00 0.00 O ATOM 0 H TYR A 40 4.361 -12.533 -1.253 1.00 0.00 H new ATOM 0 HA TYR A 40 6.068 -11.653 -3.254 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.115 -11.542 -2.715 1.00 0.00 H new ATOM 0 HB3 TYR A 40 3.738 -10.575 -4.037 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.776 -12.185 -5.295 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.097 -13.460 -3.564 1.00 0.00 H new ATOM 0 HE1 TYR A 40 5.783 -14.168 -6.744 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.102 -15.445 -5.010 1.00 0.00 H new ATOM 0 HH TYR A 40 3.148 -16.576 -6.592 1.00 0.00 H new ATOM 630 N LEU A 41 4.643 -9.155 -1.614 1.00 0.00 N ATOM 631 CA LEU A 41 4.766 -7.733 -1.311 1.00 0.00 C ATOM 632 C LEU A 41 5.975 -7.469 -0.418 1.00 0.00 C ATOM 633 O LEU A 41 5.886 -7.561 0.805 1.00 0.00 O ATOM 634 CB LEU A 41 3.495 -7.224 -0.629 1.00 0.00 C ATOM 635 CG LEU A 41 2.217 -7.277 -1.468 1.00 0.00 C ATOM 636 CD1 LEU A 41 0.990 -7.316 -0.569 1.00 0.00 C ATOM 637 CD2 LEU A 41 2.150 -6.086 -2.413 1.00 0.00 C ATOM 0 H LEU A 41 3.866 -9.620 -1.146 1.00 0.00 H new ATOM 0 HA LEU A 41 4.906 -7.198 -2.250 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.335 -7.807 0.278 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.661 -6.192 -0.320 1.00 0.00 H new ATOM 0 HG LEU A 41 2.234 -8.189 -2.065 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.090 -7.353 -1.183 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.033 -8.200 0.067 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.967 -6.422 0.054 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.234 -6.140 -3.002 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.156 -5.162 -1.835 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.012 -6.102 -3.080 1.00 0.00 H new ATOM 649 N GLU A 42 7.103 -7.139 -1.040 1.00 0.00 N ATOM 650 CA GLU A 42 8.329 -6.860 -0.301 1.00 0.00 C ATOM 651 C GLU A 42 8.160 -5.633 0.590 1.00 0.00 C ATOM 652 O GLU A 42 8.744 -5.553 1.671 1.00 0.00 O ATOM 653 CB GLU A 42 9.495 -6.645 -1.268 1.00 0.00 C ATOM 654 CG GLU A 42 9.240 -5.558 -2.298 1.00 0.00 C ATOM 655 CD GLU A 42 9.683 -4.188 -1.823 1.00 0.00 C ATOM 656 OE1 GLU A 42 10.579 -4.122 -0.956 1.00 0.00 O ATOM 657 OE2 GLU A 42 9.134 -3.182 -2.319 1.00 0.00 O ATOM 0 H GLU A 42 7.193 -7.058 -2.053 1.00 0.00 H new ATOM 0 HA GLU A 42 8.545 -7.720 0.332 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.387 -6.390 -0.696 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.704 -7.581 -1.785 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.766 -5.806 -3.220 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.176 -5.530 -2.535 1.00 0.00 H new ATOM 664 N ARG A 43 7.357 -4.681 0.129 1.00 0.00 N ATOM 665 CA ARG A 43 7.112 -3.457 0.883 1.00 0.00 C ATOM 666 C ARG A 43 5.957 -3.644 1.863 1.00 0.00 C ATOM 667 O ARG A 43 5.337 -2.674 2.301 1.00 0.00 O ATOM 668 CB ARG A 43 6.804 -2.299 -0.069 1.00 0.00 C ATOM 669 CG ARG A 43 5.505 -2.471 -0.837 1.00 0.00 C ATOM 670 CD ARG A 43 5.368 -1.433 -1.941 1.00 0.00 C ATOM 671 NE ARG A 43 4.744 -0.203 -1.461 1.00 0.00 N ATOM 672 CZ ARG A 43 5.411 0.770 -0.851 1.00 0.00 C ATOM 673 NH1 ARG A 43 6.716 0.658 -0.648 1.00 0.00 N ATOM 674 NH2 ARG A 43 4.772 1.859 -0.443 1.00 0.00 N ATOM 0 H ARG A 43 6.865 -4.733 -0.763 1.00 0.00 H new ATOM 0 HA ARG A 43 8.013 -3.223 1.450 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.758 -1.372 0.503 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.625 -2.195 -0.779 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.467 -3.471 -1.269 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.662 -2.388 -0.151 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.353 -1.205 -2.348 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.774 -1.847 -2.756 1.00 0.00 H new ATOM 0 HE ARG A 43 3.741 -0.085 -1.602 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.211 -0.177 -0.961 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.225 1.407 -0.179 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.768 1.949 -0.598 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.285 2.606 0.025 1.00 0.00 H new ATOM 688 N LYS A 44 5.674 -4.896 2.203 1.00 0.00 N ATOM 689 CA LYS A 44 4.595 -5.212 3.131 1.00 0.00 C ATOM 690 C LYS A 44 4.981 -6.377 4.038 1.00 0.00 C ATOM 691 O LYS A 44 6.082 -6.918 3.935 1.00 0.00 O ATOM 692 CB LYS A 44 3.316 -5.552 2.363 1.00 0.00 C ATOM 693 CG LYS A 44 2.738 -4.377 1.594 1.00 0.00 C ATOM 694 CD LYS A 44 2.136 -3.341 2.529 1.00 0.00 C ATOM 695 CE LYS A 44 1.711 -2.090 1.775 1.00 0.00 C ATOM 696 NZ LYS A 44 2.825 -1.109 1.655 1.00 0.00 N ATOM 0 H LYS A 44 6.177 -5.710 1.849 1.00 0.00 H new ATOM 0 HA LYS A 44 4.416 -4.334 3.752 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.525 -6.364 1.666 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.568 -5.920 3.065 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.520 -3.914 0.992 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.974 -4.733 0.904 1.00 0.00 H new ATOM 0 HD2 LYS A 44 1.274 -3.769 3.041 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.863 -3.075 3.296 1.00 0.00 H new ATOM 0 HE2 LYS A 44 1.362 -2.367 0.780 1.00 0.00 H new ATOM 0 HE3 LYS A 44 0.871 -1.624 2.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 2.841 -0.718 0.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.684 -0.338 2.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.729 -1.585 1.851 1.00 0.00 H new ATOM 710 N SER A 45 4.067 -6.760 4.924 1.00 0.00 N ATOM 711 CA SER A 45 4.313 -7.859 5.850 1.00 0.00 C ATOM 712 C SER A 45 3.018 -8.599 6.170 1.00 0.00 C ATOM 713 O SER A 45 1.925 -8.125 5.859 1.00 0.00 O ATOM 714 CB SER A 45 4.946 -7.335 7.140 1.00 0.00 C ATOM 715 OG SER A 45 5.928 -6.351 6.863 1.00 0.00 O ATOM 0 H SER A 45 3.149 -6.325 5.020 1.00 0.00 H new ATOM 0 HA SER A 45 5.002 -8.556 5.373 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.174 -6.912 7.782 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.399 -8.161 7.688 1.00 0.00 H new ATOM 0 HG SER A 45 6.317 -6.031 7.704 1.00 0.00 H new ATOM 721 N VAL A 46 3.149 -9.767 6.793 1.00 0.00 N ATOM 722 CA VAL A 46 1.991 -10.573 7.157 1.00 0.00 C ATOM 723 C VAL A 46 1.067 -9.813 8.102 1.00 0.00 C ATOM 724 O VAL A 46 -0.110 -9.594 7.815 1.00 0.00 O ATOM 725 CB VAL A 46 2.415 -11.896 7.824 1.00 0.00 C ATOM 726 CG1 VAL A 46 1.389 -12.323 8.863 1.00 0.00 C ATOM 727 CG2 VAL A 46 2.611 -12.981 6.777 1.00 0.00 C ATOM 0 H VAL A 46 4.046 -10.175 7.056 1.00 0.00 H new ATOM 0 HA VAL A 46 1.457 -10.795 6.233 1.00 0.00 H new ATOM 0 HB VAL A 46 3.366 -11.739 8.332 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.705 -13.259 9.323 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.304 -11.552 9.629 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.421 -12.464 8.382 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.910 -13.908 7.266 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.677 -13.140 6.238 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.387 -12.674 6.076 1.00 0.00 H new ATOM 737 N PRO A 47 1.610 -9.403 9.257 1.00 0.00 N ATOM 738 CA PRO A 47 0.852 -8.660 10.268 1.00 0.00 C ATOM 739 C PRO A 47 0.509 -7.245 9.812 1.00 0.00 C ATOM 740 O PRO A 47 -0.299 -6.559 10.440 1.00 0.00 O ATOM 741 CB PRO A 47 1.803 -8.618 11.466 1.00 0.00 C ATOM 742 CG PRO A 47 3.164 -8.750 10.874 1.00 0.00 C ATOM 743 CD PRO A 47 3.006 -9.629 9.665 1.00 0.00 C ATOM 0 HA PRO A 47 -0.107 -9.130 10.484 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.701 -7.685 12.020 1.00 0.00 H new ATOM 0 HB3 PRO A 47 1.595 -9.428 12.165 1.00 0.00 H new ATOM 0 HG2 PRO A 47 3.566 -7.775 10.598 1.00 0.00 H new ATOM 0 HG3 PRO A 47 3.859 -9.190 11.589 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.705 -9.354 8.875 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.190 -10.677 9.903 1.00 0.00 H new ATOM 751 N ASP A 48 1.126 -6.815 8.718 1.00 0.00 N ATOM 752 CA ASP A 48 0.885 -5.483 8.177 1.00 0.00 C ATOM 753 C ASP A 48 -0.309 -5.490 7.227 1.00 0.00 C ATOM 754 O ASP A 48 -0.992 -4.477 7.064 1.00 0.00 O ATOM 755 CB ASP A 48 2.129 -4.971 7.448 1.00 0.00 C ATOM 756 CG ASP A 48 3.142 -4.356 8.394 1.00 0.00 C ATOM 757 OD1 ASP A 48 3.404 -4.959 9.456 1.00 0.00 O ATOM 758 OD2 ASP A 48 3.673 -3.273 8.072 1.00 0.00 O ATOM 0 H ASP A 48 1.798 -7.370 8.188 1.00 0.00 H new ATOM 0 HA ASP A 48 0.661 -4.816 9.009 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.595 -5.795 6.907 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.832 -4.230 6.706 1.00 0.00 H new ATOM 763 N CYS A 49 -0.554 -6.636 6.602 1.00 0.00 N ATOM 764 CA CYS A 49 -1.665 -6.774 5.666 1.00 0.00 C ATOM 765 C CYS A 49 -2.903 -7.323 6.369 1.00 0.00 C ATOM 766 O CYS A 49 -4.014 -6.836 6.161 1.00 0.00 O ATOM 767 CB CYS A 49 -1.272 -7.693 4.508 1.00 0.00 C ATOM 768 SG CYS A 49 -0.692 -9.326 5.025 1.00 0.00 S ATOM 0 H CYS A 49 0.001 -7.483 6.726 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.901 -5.786 5.272 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.131 -7.816 3.849 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.489 -7.209 3.924 1.00 0.00 H new ATOM 0 HG CYS A 49 -0.382 -9.297 6.287 1.00 0.00 H new ATOM 774 N VAL A 50 -2.702 -8.340 7.201 1.00 0.00 N ATOM 775 CA VAL A 50 -3.802 -8.955 7.934 1.00 0.00 C ATOM 776 C VAL A 50 -4.732 -7.899 8.519 1.00 0.00 C ATOM 777 O VAL A 50 -5.951 -8.075 8.545 1.00 0.00 O ATOM 778 CB VAL A 50 -3.284 -9.854 9.073 1.00 0.00 C ATOM 779 CG1 VAL A 50 -2.577 -9.021 10.131 1.00 0.00 C ATOM 780 CG2 VAL A 50 -4.427 -10.650 9.685 1.00 0.00 C ATOM 0 H VAL A 50 -1.788 -8.755 7.384 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.355 -9.566 7.220 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.563 -10.558 8.658 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.218 -9.673 10.927 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.732 -8.500 9.680 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.273 -8.292 10.545 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.043 -11.280 10.488 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.173 -9.965 10.087 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.885 -11.277 8.920 1.00 0.00 H new ATOM 790 N LEU A 51 -4.150 -6.800 8.988 1.00 0.00 N ATOM 791 CA LEU A 51 -4.927 -5.714 9.573 1.00 0.00 C ATOM 792 C LEU A 51 -5.553 -4.845 8.486 1.00 0.00 C ATOM 793 O LEU A 51 -6.740 -4.523 8.541 1.00 0.00 O ATOM 794 CB LEU A 51 -4.041 -4.856 10.479 1.00 0.00 C ATOM 795 CG LEU A 51 -4.495 -3.412 10.691 1.00 0.00 C ATOM 796 CD1 LEU A 51 -5.970 -3.365 11.061 1.00 0.00 C ATOM 797 CD2 LEU A 51 -3.653 -2.740 11.766 1.00 0.00 C ATOM 0 H LEU A 51 -3.143 -6.638 8.974 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.728 -6.153 10.168 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.974 -5.341 11.453 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.035 -4.841 10.061 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.358 -2.868 9.757 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.275 -2.329 11.208 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.561 -3.807 10.259 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.132 -3.925 11.982 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.991 -1.713 11.903 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.758 -3.285 12.704 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.606 -2.740 11.462 1.00 0.00 H new ATOM 809 N TYR A 52 -4.747 -4.471 7.499 1.00 0.00 N ATOM 810 CA TYR A 52 -5.221 -3.640 6.398 1.00 0.00 C ATOM 811 C TYR A 52 -6.496 -4.216 5.791 1.00 0.00 C ATOM 812 O TYR A 52 -7.447 -3.486 5.506 1.00 0.00 O ATOM 813 CB TYR A 52 -4.141 -3.516 5.322 1.00 0.00 C ATOM 814 CG TYR A 52 -4.693 -3.289 3.933 1.00 0.00 C ATOM 815 CD1 TYR A 52 -5.075 -2.020 3.515 1.00 0.00 C ATOM 816 CD2 TYR A 52 -4.834 -4.343 3.039 1.00 0.00 C ATOM 817 CE1 TYR A 52 -5.580 -1.808 2.247 1.00 0.00 C ATOM 818 CE2 TYR A 52 -5.338 -4.141 1.769 1.00 0.00 C ATOM 819 CZ TYR A 52 -5.709 -2.871 1.378 1.00 0.00 C ATOM 820 OH TYR A 52 -6.212 -2.665 0.114 1.00 0.00 O ATOM 0 H TYR A 52 -3.762 -4.730 7.438 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.444 -2.649 6.794 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.477 -2.691 5.579 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.536 -4.423 5.320 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.975 -1.185 4.193 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -4.544 -5.338 3.343 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -5.872 -0.815 1.938 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.441 -4.972 1.087 1.00 0.00 H new ATOM 0 HH TYR A 52 -6.236 -3.516 -0.371 1.00 0.00 H new ATOM 830 N TYR A 53 -6.509 -5.530 5.596 1.00 0.00 N ATOM 831 CA TYR A 53 -7.666 -6.205 5.020 1.00 0.00 C ATOM 832 C TYR A 53 -8.936 -5.869 5.797 1.00 0.00 C ATOM 833 O TYR A 53 -9.985 -5.603 5.209 1.00 0.00 O ATOM 834 CB TYR A 53 -7.447 -7.720 5.011 1.00 0.00 C ATOM 835 CG TYR A 53 -8.724 -8.516 4.869 1.00 0.00 C ATOM 836 CD1 TYR A 53 -9.565 -8.330 3.779 1.00 0.00 C ATOM 837 CD2 TYR A 53 -9.090 -9.455 5.825 1.00 0.00 C ATOM 838 CE1 TYR A 53 -10.733 -9.055 3.645 1.00 0.00 C ATOM 839 CE2 TYR A 53 -10.256 -10.187 5.699 1.00 0.00 C ATOM 840 CZ TYR A 53 -11.074 -9.981 4.608 1.00 0.00 C ATOM 841 OH TYR A 53 -12.237 -10.707 4.478 1.00 0.00 O ATOM 0 H TYR A 53 -5.732 -6.149 5.828 1.00 0.00 H new ATOM 0 HA TYR A 53 -7.785 -5.855 3.995 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -6.776 -7.977 4.191 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -6.948 -8.012 5.935 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -9.301 -7.606 3.023 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -8.452 -9.616 6.682 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -11.375 -8.898 2.791 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -10.524 -10.915 6.450 1.00 0.00 H new ATOM 0 HH TYR A 53 -12.329 -11.316 5.240 1.00 0.00 H new ATOM 851 N TYR A 54 -8.832 -5.882 7.121 1.00 0.00 N ATOM 852 CA TYR A 54 -9.971 -5.580 7.980 1.00 0.00 C ATOM 853 C TYR A 54 -10.538 -4.200 7.667 1.00 0.00 C ATOM 854 O TYR A 54 -11.747 -4.034 7.496 1.00 0.00 O ATOM 855 CB TYR A 54 -9.561 -5.655 9.451 1.00 0.00 C ATOM 856 CG TYR A 54 -9.582 -7.057 10.016 1.00 0.00 C ATOM 857 CD1 TYR A 54 -10.781 -7.735 10.200 1.00 0.00 C ATOM 858 CD2 TYR A 54 -8.403 -7.704 10.366 1.00 0.00 C ATOM 859 CE1 TYR A 54 -10.805 -9.017 10.716 1.00 0.00 C ATOM 860 CE2 TYR A 54 -8.418 -8.986 10.881 1.00 0.00 C ATOM 861 CZ TYR A 54 -9.622 -9.637 11.055 1.00 0.00 C ATOM 862 OH TYR A 54 -9.641 -10.914 11.568 1.00 0.00 O ATOM 0 H TYR A 54 -7.971 -6.098 7.623 1.00 0.00 H new ATOM 0 HA TYR A 54 -10.746 -6.322 7.788 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -8.558 -5.243 9.561 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -10.230 -5.026 10.038 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -11.710 -7.252 9.935 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -7.459 -7.196 10.233 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -11.746 -9.530 10.853 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -7.493 -9.476 11.146 1.00 0.00 H new ATOM 0 HH TYR A 54 -8.724 -11.206 11.753 1.00 0.00 H new ATOM 872 N LEU A 55 -9.656 -3.207 7.595 1.00 0.00 N ATOM 873 CA LEU A 55 -10.067 -1.838 7.302 1.00 0.00 C ATOM 874 C LEU A 55 -11.043 -1.801 6.130 1.00 0.00 C ATOM 875 O LEU A 55 -12.161 -1.300 6.254 1.00 0.00 O ATOM 876 CB LEU A 55 -8.844 -0.974 6.989 1.00 0.00 C ATOM 877 CG LEU A 55 -8.192 -0.277 8.184 1.00 0.00 C ATOM 878 CD1 LEU A 55 -7.175 -1.194 8.847 1.00 0.00 C ATOM 879 CD2 LEU A 55 -7.535 1.024 7.749 1.00 0.00 C ATOM 0 H LEU A 55 -8.653 -3.325 7.736 1.00 0.00 H new ATOM 0 HA LEU A 55 -10.571 -1.440 8.183 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.095 -1.601 6.506 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.137 -0.213 6.265 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.969 -0.043 8.912 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.721 -0.681 9.695 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.673 -2.099 9.194 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.401 -1.460 8.127 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.076 1.506 8.612 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.770 0.813 7.002 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.287 1.686 7.321 1.00 0.00 H new ATOM 891 N THR A 56 -10.613 -2.337 4.991 1.00 0.00 N ATOM 892 CA THR A 56 -11.449 -2.366 3.798 1.00 0.00 C ATOM 893 C THR A 56 -12.686 -3.230 4.013 1.00 0.00 C ATOM 894 O THR A 56 -13.778 -2.895 3.555 1.00 0.00 O ATOM 895 CB THR A 56 -10.670 -2.899 2.580 1.00 0.00 C ATOM 896 OG1 THR A 56 -9.870 -4.023 2.964 1.00 0.00 O ATOM 897 CG2 THR A 56 -9.781 -1.815 1.990 1.00 0.00 C ATOM 0 H THR A 56 -9.691 -2.756 4.871 1.00 0.00 H new ATOM 0 HA THR A 56 -11.757 -1.339 3.603 1.00 0.00 H new ATOM 0 HB THR A 56 -11.390 -3.208 1.822 1.00 0.00 H new ATOM 0 HG1 THR A 56 -10.195 -4.380 3.817 1.00 0.00 H new ATOM 0 HG21 THR A 56 -9.241 -2.215 1.132 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.396 -0.973 1.672 1.00 0.00 H new ATOM 0 HG23 THR A 56 -9.068 -1.479 2.743 1.00 0.00 H new ATOM 905 N LYS A 57 -12.508 -4.345 4.715 1.00 0.00 N ATOM 906 CA LYS A 57 -13.610 -5.258 4.994 1.00 0.00 C ATOM 907 C LYS A 57 -14.907 -4.490 5.230 1.00 0.00 C ATOM 908 O LYS A 57 -15.954 -4.834 4.682 1.00 0.00 O ATOM 909 CB LYS A 57 -13.287 -6.122 6.215 1.00 0.00 C ATOM 910 CG LYS A 57 -13.933 -7.497 6.175 1.00 0.00 C ATOM 911 CD LYS A 57 -15.307 -7.486 6.822 1.00 0.00 C ATOM 912 CE LYS A 57 -15.644 -8.837 7.436 1.00 0.00 C ATOM 913 NZ LYS A 57 -17.086 -8.938 7.797 1.00 0.00 N ATOM 0 H LYS A 57 -11.610 -4.638 5.101 1.00 0.00 H new ATOM 0 HA LYS A 57 -13.743 -5.903 4.125 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.206 -6.240 6.291 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.615 -5.602 7.115 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.020 -7.829 5.141 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.294 -8.215 6.688 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -15.341 -6.716 7.593 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -16.059 -7.226 6.077 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -15.389 -9.629 6.732 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -15.035 -8.993 8.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -17.275 -9.873 8.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -17.324 -8.198 8.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -17.667 -8.814 6.943 1.00 0.00 H new ATOM 927 N LYS A 58 -14.829 -3.445 6.048 1.00 0.00 N ATOM 928 CA LYS A 58 -15.995 -2.625 6.355 1.00 0.00 C ATOM 929 C LYS A 58 -16.099 -1.445 5.394 1.00 0.00 C ATOM 930 O LYS A 58 -15.175 -1.173 4.629 1.00 0.00 O ATOM 931 CB LYS A 58 -15.922 -2.118 7.797 1.00 0.00 C ATOM 932 CG LYS A 58 -16.455 -3.108 8.818 1.00 0.00 C ATOM 933 CD LYS A 58 -17.954 -2.953 9.015 1.00 0.00 C ATOM 934 CE LYS A 58 -18.275 -1.833 9.993 1.00 0.00 C ATOM 935 NZ LYS A 58 -19.628 -1.993 10.593 1.00 0.00 N ATOM 0 H LYS A 58 -13.970 -3.146 6.510 1.00 0.00 H new ATOM 0 HA LYS A 58 -16.884 -3.244 6.239 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -14.885 -1.883 8.038 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -16.486 -1.189 7.875 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -16.233 -4.124 8.491 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -15.945 -2.961 9.770 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -18.429 -2.747 8.056 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -18.372 -3.890 9.383 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -17.526 -1.816 10.785 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -18.217 -0.874 9.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -19.810 -1.211 11.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -20.345 -1.984 9.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -19.676 -2.897 11.105 1.00 0.00 H new ATOM 949 N ASN A 59 -17.229 -0.747 5.441 1.00 0.00 N ATOM 950 CA ASN A 59 -17.452 0.405 4.575 1.00 0.00 C ATOM 951 C ASN A 59 -18.006 1.583 5.370 1.00 0.00 C ATOM 952 O ASN A 59 -18.240 1.477 6.573 1.00 0.00 O ATOM 953 CB ASN A 59 -18.417 0.040 3.445 1.00 0.00 C ATOM 954 CG ASN A 59 -18.228 -1.385 2.960 1.00 0.00 C ATOM 955 OD1 ASN A 59 -19.143 -2.205 3.037 1.00 0.00 O ATOM 956 ND2 ASN A 59 -17.035 -1.685 2.459 1.00 0.00 N ATOM 0 H ASN A 59 -18.004 -0.959 6.069 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.494 0.697 4.146 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -19.443 0.170 3.791 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -18.272 0.727 2.611 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -16.847 -2.628 2.118 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -16.306 -0.972 2.415 1.00 0.00 H new ATOM 963 N GLU A 60 -18.212 2.706 4.687 1.00 0.00 N ATOM 964 CA GLU A 60 -18.737 3.905 5.330 1.00 0.00 C ATOM 965 C GLU A 60 -20.258 3.839 5.445 1.00 0.00 C ATOM 966 O GLU A 60 -20.832 4.243 6.454 1.00 0.00 O ATOM 967 CB GLU A 60 -18.328 5.153 4.545 1.00 0.00 C ATOM 968 CG GLU A 60 -18.613 6.453 5.278 1.00 0.00 C ATOM 969 CD GLU A 60 -20.085 6.816 5.270 1.00 0.00 C ATOM 970 OE1 GLU A 60 -20.710 6.733 4.192 1.00 0.00 O ATOM 971 OE2 GLU A 60 -20.612 7.182 6.341 1.00 0.00 O ATOM 0 H GLU A 60 -18.023 2.810 3.690 1.00 0.00 H new ATOM 0 HA GLU A 60 -18.316 3.962 6.334 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -17.263 5.098 4.321 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -18.855 5.161 3.591 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -18.269 6.367 6.309 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -18.041 7.259 4.817 1.00 0.00 H new ATOM 978 N ASN A 61 -20.902 3.326 4.401 1.00 0.00 N ATOM 979 CA ASN A 61 -22.355 3.208 4.384 1.00 0.00 C ATOM 980 C ASN A 61 -22.805 1.917 5.062 1.00 0.00 C ATOM 981 O ASN A 61 -23.631 1.938 5.973 1.00 0.00 O ATOM 982 CB ASN A 61 -22.874 3.248 2.945 1.00 0.00 C ATOM 983 CG ASN A 61 -24.273 3.825 2.850 1.00 0.00 C ATOM 984 OD1 ASN A 61 -24.823 4.314 3.837 1.00 0.00 O ATOM 985 ND2 ASN A 61 -24.856 3.769 1.659 1.00 0.00 N ATOM 0 H ASN A 61 -20.441 2.986 3.557 1.00 0.00 H new ATOM 0 HA ASN A 61 -22.769 4.051 4.937 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -22.196 3.844 2.334 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -22.871 2.239 2.533 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -25.798 4.140 1.534 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -24.362 3.355 0.868 1.00 0.00 H new TER 992 ASN A 61