USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 805 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 25 MET CE :methyl 179:sc= -0.0208 (180deg=-0.0208) USER MOD Set 1.2: A 41 GLN : amide:sc= -0.453 K(o=-0.47,f=-3.1!) USER MOD Set 2.1: A 37 CYS SG : rot 9:sc= -2.4 USER MOD Set 2.2: A 51 HIS :FLIP no HD1:sc= -3.54! C(o=-9.4!,f=-5.9!) USER MOD Set 3.1: A 17 SER OG : rot 150:sc= 0.0374 USER MOD Set 3.2: A 24 MET CE :methyl -173:sc= -2.97 (180deg=-3.17!) USER MOD Single : A 1 GLY N :NH3+ -133:sc= 0.0523 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0294 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -158:sc= -0.514 (180deg=-1.83) USER MOD Single : A 14 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00698) USER MOD Single : A 15 THR OG1 : rot -60:sc= -0.164 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 61:sc= 0.434 USER MOD Single : A 19 MET CE :methyl -165:sc= -0.0113 (180deg=-0.345) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 CYS SG : rot -155:sc= -0.0631 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN :FLIP amide:sc= -1.88 F(o=-4.8!,f=-1.9) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 64 MET CE :methyl -176:sc= -2.29 (180deg=-2.29!) USER MOD Single : A 67 CYS SG : rot 180:sc= 0.0312 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -62:sc= 1.09 USER MOD Single : A 75 ASN : amide:sc= -1.38 K(o=-1.4,f=-7!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc=-0.000902 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.271! USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.424 K(o=-0.42,f=-1.5!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= -0.0286 K(o=-0.029,f=-0.79) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.853 25.451 -24.288 1.00 0.00 N ATOM 2 CA GLY A 1 -1.503 25.593 -24.799 1.00 0.00 C ATOM 3 C GLY A 1 -1.284 24.817 -26.083 1.00 0.00 C ATOM 4 O GLY A 1 -2.228 24.563 -26.832 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.227 26.387 -24.031 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.458 25.025 -25.019 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.843 24.839 -23.447 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.294 26.648 -24.976 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.795 25.249 -24.045 1.00 0.00 H new ATOM 8 N SER A 2 -0.035 24.440 -26.340 1.00 0.00 N ATOM 9 CA SER A 2 0.305 23.693 -27.545 1.00 0.00 C ATOM 10 C SER A 2 -0.537 22.426 -27.656 1.00 0.00 C ATOM 11 O SER A 2 -0.403 21.506 -26.849 1.00 0.00 O ATOM 12 CB SER A 2 1.792 23.332 -27.544 1.00 0.00 C ATOM 13 OG SER A 2 2.595 24.478 -27.319 1.00 0.00 O ATOM 0 H SER A 2 0.758 24.640 -25.730 1.00 0.00 H new ATOM 0 HA SER A 2 0.092 24.326 -28.406 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.989 22.589 -26.771 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.060 22.878 -28.498 1.00 0.00 H new ATOM 0 HG SER A 2 3.541 24.220 -27.321 1.00 0.00 H new ATOM 19 N SER A 3 -1.406 22.387 -28.661 1.00 0.00 N ATOM 20 CA SER A 3 -2.275 21.235 -28.876 1.00 0.00 C ATOM 21 C SER A 3 -1.579 20.183 -29.735 1.00 0.00 C ATOM 22 O SER A 3 -1.200 20.448 -30.875 1.00 0.00 O ATOM 23 CB SER A 3 -3.581 21.672 -29.542 1.00 0.00 C ATOM 24 OG SER A 3 -4.200 22.718 -28.814 1.00 0.00 O ATOM 0 H SER A 3 -1.527 23.139 -29.339 1.00 0.00 H new ATOM 0 HA SER A 3 -2.501 20.795 -27.905 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.380 22.003 -30.561 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.260 20.822 -29.611 1.00 0.00 H new ATOM 0 HG SER A 3 -5.032 22.980 -29.261 1.00 0.00 H new ATOM 30 N GLY A 4 -1.415 18.987 -29.177 1.00 0.00 N ATOM 31 CA GLY A 4 -0.765 17.913 -29.905 1.00 0.00 C ATOM 32 C GLY A 4 0.144 17.081 -29.021 1.00 0.00 C ATOM 33 O GLY A 4 -0.328 16.325 -28.172 1.00 0.00 O ATOM 0 H GLY A 4 -1.720 18.743 -28.235 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.523 17.269 -30.350 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.183 18.334 -30.725 1.00 0.00 H new ATOM 37 N SER A 5 1.450 17.219 -29.222 1.00 0.00 N ATOM 38 CA SER A 5 2.427 16.470 -28.441 1.00 0.00 C ATOM 39 C SER A 5 1.970 16.326 -26.993 1.00 0.00 C ATOM 40 O SER A 5 1.252 17.179 -26.469 1.00 0.00 O ATOM 41 CB SER A 5 3.791 17.163 -28.491 1.00 0.00 C ATOM 42 OG SER A 5 3.794 18.340 -27.702 1.00 0.00 O ATOM 0 H SER A 5 1.856 17.843 -29.919 1.00 0.00 H new ATOM 0 HA SER A 5 2.517 15.475 -28.876 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.562 16.480 -28.135 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.038 17.412 -29.523 1.00 0.00 H new ATOM 0 HG SER A 5 4.677 18.763 -27.749 1.00 0.00 H new ATOM 48 N SER A 6 2.390 15.241 -26.351 1.00 0.00 N ATOM 49 CA SER A 6 2.021 14.982 -24.964 1.00 0.00 C ATOM 50 C SER A 6 3.127 14.220 -24.241 1.00 0.00 C ATOM 51 O SER A 6 3.396 13.058 -24.543 1.00 0.00 O ATOM 52 CB SER A 6 0.714 14.189 -24.901 1.00 0.00 C ATOM 53 OG SER A 6 0.401 13.827 -23.568 1.00 0.00 O ATOM 0 H SER A 6 2.986 14.527 -26.769 1.00 0.00 H new ATOM 0 HA SER A 6 1.880 15.941 -24.466 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.097 14.785 -25.319 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.799 13.292 -25.514 1.00 0.00 H new ATOM 0 HG SER A 6 -0.439 13.323 -23.555 1.00 0.00 H new ATOM 59 N GLY A 7 3.766 14.884 -23.282 1.00 0.00 N ATOM 60 CA GLY A 7 4.835 14.255 -22.530 1.00 0.00 C ATOM 61 C GLY A 7 4.401 12.955 -21.881 1.00 0.00 C ATOM 62 O GLY A 7 3.343 12.890 -21.255 1.00 0.00 O ATOM 0 H GLY A 7 3.562 15.846 -23.013 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.678 14.062 -23.194 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.187 14.942 -21.760 1.00 0.00 H new ATOM 66 N ARG A 8 5.219 11.918 -22.032 1.00 0.00 N ATOM 67 CA ARG A 8 4.912 10.614 -21.458 1.00 0.00 C ATOM 68 C ARG A 8 5.212 10.594 -19.962 1.00 0.00 C ATOM 69 O ARG A 8 6.366 10.709 -19.548 1.00 0.00 O ATOM 70 CB ARG A 8 5.715 9.520 -22.165 1.00 0.00 C ATOM 71 CG ARG A 8 5.019 8.169 -22.182 1.00 0.00 C ATOM 72 CD ARG A 8 5.515 7.302 -23.329 1.00 0.00 C ATOM 73 NE ARG A 8 6.700 6.532 -22.960 1.00 0.00 N ATOM 74 CZ ARG A 8 7.154 5.500 -23.663 1.00 0.00 C ATOM 75 NH1 ARG A 8 6.525 5.117 -24.766 1.00 0.00 N ATOM 76 NH2 ARG A 8 8.239 4.849 -23.263 1.00 0.00 N ATOM 0 H ARG A 8 6.099 11.956 -22.547 1.00 0.00 H new ATOM 0 HA ARG A 8 3.848 10.424 -21.600 1.00 0.00 H new ATOM 0 HB2 ARG A 8 5.912 9.831 -23.191 1.00 0.00 H new ATOM 0 HB3 ARG A 8 6.682 9.415 -21.673 1.00 0.00 H new ATOM 0 HG2 ARG A 8 5.193 7.657 -21.236 1.00 0.00 H new ATOM 0 HG3 ARG A 8 3.943 8.314 -22.273 1.00 0.00 H new ATOM 0 HD2 ARG A 8 4.722 6.621 -23.638 1.00 0.00 H new ATOM 0 HD3 ARG A 8 5.746 7.933 -24.187 1.00 0.00 H new ATOM 0 HE ARG A 8 7.207 6.801 -22.117 1.00 0.00 H new ATOM 0 HH11 ARG A 8 5.691 5.615 -25.076 1.00 0.00 H new ATOM 0 HH12 ARG A 8 6.876 4.324 -25.304 1.00 0.00 H new ATOM 0 HH21 ARG A 8 8.725 5.141 -22.415 1.00 0.00 H new ATOM 0 HH22 ARG A 8 8.587 4.057 -23.803 1.00 0.00 H new ATOM 90 N PHE A 9 4.166 10.448 -19.155 1.00 0.00 N ATOM 91 CA PHE A 9 4.317 10.414 -17.705 1.00 0.00 C ATOM 92 C PHE A 9 4.607 8.996 -17.221 1.00 0.00 C ATOM 93 O PHE A 9 3.707 8.161 -17.134 1.00 0.00 O ATOM 94 CB PHE A 9 3.054 10.948 -17.027 1.00 0.00 C ATOM 95 CG PHE A 9 3.297 11.488 -15.647 1.00 0.00 C ATOM 96 CD1 PHE A 9 4.239 12.482 -15.433 1.00 0.00 C ATOM 97 CD2 PHE A 9 2.584 11.001 -14.563 1.00 0.00 C ATOM 98 CE1 PHE A 9 4.465 12.980 -14.164 1.00 0.00 C ATOM 99 CE2 PHE A 9 2.806 11.496 -13.291 1.00 0.00 C ATOM 100 CZ PHE A 9 3.747 12.487 -13.092 1.00 0.00 C ATOM 0 H PHE A 9 3.204 10.351 -19.481 1.00 0.00 H new ATOM 0 HA PHE A 9 5.161 11.050 -17.438 1.00 0.00 H new ATOM 0 HB2 PHE A 9 2.624 11.735 -17.646 1.00 0.00 H new ATOM 0 HB3 PHE A 9 2.316 10.148 -16.971 1.00 0.00 H new ATOM 0 HD1 PHE A 9 4.803 12.872 -16.268 1.00 0.00 H new ATOM 0 HD2 PHE A 9 1.847 10.226 -14.713 1.00 0.00 H new ATOM 0 HE1 PHE A 9 5.202 13.754 -14.011 1.00 0.00 H new ATOM 0 HE2 PHE A 9 2.244 11.108 -12.454 1.00 0.00 H new ATOM 0 HZ PHE A 9 3.921 12.876 -12.100 1.00 0.00 H new ATOM 110 N THR A 10 5.872 8.731 -16.909 1.00 0.00 N ATOM 111 CA THR A 10 6.282 7.415 -16.435 1.00 0.00 C ATOM 112 C THR A 10 5.682 7.111 -15.068 1.00 0.00 C ATOM 113 O THR A 10 5.131 7.994 -14.411 1.00 0.00 O ATOM 114 CB THR A 10 7.816 7.303 -16.346 1.00 0.00 C ATOM 115 OG1 THR A 10 8.426 8.126 -17.347 1.00 0.00 O ATOM 116 CG2 THR A 10 8.265 5.861 -16.526 1.00 0.00 C ATOM 0 H THR A 10 6.630 9.410 -16.976 1.00 0.00 H new ATOM 0 HA THR A 10 5.913 6.689 -17.160 1.00 0.00 H new ATOM 0 HB THR A 10 8.126 7.643 -15.358 1.00 0.00 H new ATOM 0 HG1 THR A 10 9.401 8.051 -17.283 1.00 0.00 H new ATOM 0 HG21 THR A 10 9.352 5.807 -16.459 1.00 0.00 H new ATOM 0 HG22 THR A 10 7.822 5.242 -15.746 1.00 0.00 H new ATOM 0 HG23 THR A 10 7.943 5.499 -17.502 1.00 0.00 H new ATOM 124 N TRP A 11 5.793 5.857 -14.644 1.00 0.00 N ATOM 125 CA TRP A 11 5.260 5.437 -13.353 1.00 0.00 C ATOM 126 C TRP A 11 6.332 5.514 -12.271 1.00 0.00 C ATOM 127 O TRP A 11 6.785 4.491 -11.759 1.00 0.00 O ATOM 128 CB TRP A 11 4.712 4.012 -13.444 1.00 0.00 C ATOM 129 CG TRP A 11 3.575 3.752 -12.503 1.00 0.00 C ATOM 130 CD1 TRP A 11 2.650 4.657 -12.065 1.00 0.00 C ATOM 131 CD2 TRP A 11 3.243 2.505 -11.883 1.00 0.00 C ATOM 132 NE1 TRP A 11 1.764 4.047 -11.210 1.00 0.00 N ATOM 133 CE2 TRP A 11 2.106 2.727 -11.082 1.00 0.00 C ATOM 134 CE3 TRP A 11 3.796 1.222 -11.927 1.00 0.00 C ATOM 135 CZ2 TRP A 11 1.513 1.713 -10.333 1.00 0.00 C ATOM 136 CZ3 TRP A 11 3.207 0.217 -11.183 1.00 0.00 C ATOM 137 CH2 TRP A 11 2.075 0.467 -10.395 1.00 0.00 C ATOM 0 H TRP A 11 6.247 5.114 -15.175 1.00 0.00 H new ATOM 0 HA TRP A 11 4.449 6.114 -13.084 1.00 0.00 H new ATOM 0 HB2 TRP A 11 4.380 3.822 -14.465 1.00 0.00 H new ATOM 0 HB3 TRP A 11 5.516 3.307 -13.234 1.00 0.00 H new ATOM 0 HD1 TRP A 11 2.620 5.699 -12.349 1.00 0.00 H new ATOM 0 HE1 TRP A 11 0.979 4.503 -10.746 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.668 1.020 -12.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 0.641 1.904 -9.725 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 3.626 -0.778 -11.209 1.00 0.00 H new ATOM 0 HH2 TRP A 11 1.638 -0.340 -9.826 1.00 0.00 H new ATOM 148 N SER A 12 6.734 6.734 -11.928 1.00 0.00 N ATOM 149 CA SER A 12 7.755 6.944 -10.909 1.00 0.00 C ATOM 150 C SER A 12 7.781 8.401 -10.459 1.00 0.00 C ATOM 151 O SER A 12 6.979 9.217 -10.913 1.00 0.00 O ATOM 152 CB SER A 12 9.130 6.539 -11.444 1.00 0.00 C ATOM 153 OG SER A 12 9.605 7.479 -12.393 1.00 0.00 O ATOM 0 H SER A 12 6.368 7.592 -12.341 1.00 0.00 H new ATOM 0 HA SER A 12 7.509 6.321 -10.049 1.00 0.00 H new ATOM 0 HB2 SER A 12 9.837 6.462 -10.618 1.00 0.00 H new ATOM 0 HB3 SER A 12 9.069 5.553 -11.904 1.00 0.00 H new ATOM 0 HG SER A 12 10.486 7.199 -12.719 1.00 0.00 H new ATOM 159 N MET A 13 8.708 8.720 -9.562 1.00 0.00 N ATOM 160 CA MET A 13 8.840 10.079 -9.050 1.00 0.00 C ATOM 161 C MET A 13 10.230 10.307 -8.462 1.00 0.00 C ATOM 162 O MET A 13 11.066 9.403 -8.451 1.00 0.00 O ATOM 163 CB MET A 13 7.774 10.353 -7.987 1.00 0.00 C ATOM 164 CG MET A 13 7.932 9.505 -6.736 1.00 0.00 C ATOM 165 SD MET A 13 7.576 7.761 -7.028 1.00 0.00 S ATOM 166 CE MET A 13 9.000 6.992 -6.262 1.00 0.00 C ATOM 0 H MET A 13 9.379 8.056 -9.175 1.00 0.00 H new ATOM 0 HA MET A 13 8.699 10.768 -9.882 1.00 0.00 H new ATOM 0 HB2 MET A 13 7.812 11.406 -7.709 1.00 0.00 H new ATOM 0 HB3 MET A 13 6.789 10.172 -8.417 1.00 0.00 H new ATOM 0 HG2 MET A 13 8.950 9.606 -6.360 1.00 0.00 H new ATOM 0 HG3 MET A 13 7.267 9.882 -5.960 1.00 0.00 H new ATOM 0 HE1 MET A 13 9.141 5.994 -6.677 1.00 0.00 H new ATOM 0 HE2 MET A 13 9.887 7.595 -6.456 1.00 0.00 H new ATOM 0 HE3 MET A 13 8.839 6.919 -5.186 1.00 0.00 H new ATOM 176 N LYS A 14 10.470 11.519 -7.975 1.00 0.00 N ATOM 177 CA LYS A 14 11.758 11.866 -7.385 1.00 0.00 C ATOM 178 C LYS A 14 11.763 11.583 -5.886 1.00 0.00 C ATOM 179 O LYS A 14 12.093 12.454 -5.080 1.00 0.00 O ATOM 180 CB LYS A 14 12.077 13.341 -7.638 1.00 0.00 C ATOM 181 CG LYS A 14 12.331 13.667 -9.099 1.00 0.00 C ATOM 182 CD LYS A 14 13.710 13.205 -9.542 1.00 0.00 C ATOM 183 CE LYS A 14 13.805 13.109 -11.057 1.00 0.00 C ATOM 184 NZ LYS A 14 13.653 14.439 -11.708 1.00 0.00 N ATOM 0 H LYS A 14 9.789 12.279 -7.977 1.00 0.00 H new ATOM 0 HA LYS A 14 12.524 11.249 -7.856 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.248 13.950 -7.277 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.955 13.619 -7.055 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.570 13.190 -9.717 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.239 14.742 -9.254 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.464 13.900 -9.172 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.929 12.233 -9.100 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.767 12.677 -11.334 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.034 12.433 -11.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.774 14.338 -12.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.706 14.818 -11.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.373 15.091 -11.337 1.00 0.00 H new ATOM 198 N THR A 15 11.397 10.359 -5.518 1.00 0.00 N ATOM 199 CA THR A 15 11.360 9.962 -4.116 1.00 0.00 C ATOM 200 C THR A 15 12.147 8.676 -3.888 1.00 0.00 C ATOM 201 O THR A 15 11.719 7.798 -3.139 1.00 0.00 O ATOM 202 CB THR A 15 9.914 9.758 -3.628 1.00 0.00 C ATOM 203 OG1 THR A 15 9.102 10.870 -4.021 1.00 0.00 O ATOM 204 CG2 THR A 15 9.870 9.601 -2.115 1.00 0.00 C ATOM 0 H THR A 15 11.122 9.626 -6.171 1.00 0.00 H new ATOM 0 HA THR A 15 11.817 10.771 -3.546 1.00 0.00 H new ATOM 0 HB THR A 15 9.526 8.847 -4.083 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.460 11.692 -3.626 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.838 9.458 -1.794 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.464 8.736 -1.822 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.276 10.496 -1.644 1.00 0.00 H new ATOM 212 N THR A 16 13.302 8.571 -4.539 1.00 0.00 N ATOM 213 CA THR A 16 14.149 7.392 -4.408 1.00 0.00 C ATOM 214 C THR A 16 14.542 7.157 -2.954 1.00 0.00 C ATOM 215 O THR A 16 14.507 8.076 -2.135 1.00 0.00 O ATOM 216 CB THR A 16 15.426 7.521 -5.259 1.00 0.00 C ATOM 217 OG1 THR A 16 16.265 8.554 -4.731 1.00 0.00 O ATOM 218 CG2 THR A 16 15.082 7.831 -6.708 1.00 0.00 C ATOM 0 H THR A 16 13.672 9.289 -5.162 1.00 0.00 H new ATOM 0 HA THR A 16 13.567 6.543 -4.766 1.00 0.00 H new ATOM 0 HB THR A 16 15.957 6.570 -5.224 1.00 0.00 H new ATOM 0 HG1 THR A 16 17.075 8.628 -5.277 1.00 0.00 H new ATOM 0 HG21 THR A 16 16.000 7.918 -7.289 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.468 7.028 -7.116 1.00 0.00 H new ATOM 0 HG23 THR A 16 14.531 8.770 -6.758 1.00 0.00 H new ATOM 226 N SER A 17 14.917 5.921 -2.640 1.00 0.00 N ATOM 227 CA SER A 17 15.314 5.565 -1.283 1.00 0.00 C ATOM 228 C SER A 17 16.582 4.716 -1.293 1.00 0.00 C ATOM 229 O SER A 17 16.725 3.804 -2.107 1.00 0.00 O ATOM 230 CB SER A 17 14.186 4.807 -0.581 1.00 0.00 C ATOM 231 OG SER A 17 14.243 3.422 -0.873 1.00 0.00 O ATOM 0 H SER A 17 14.954 5.150 -3.307 1.00 0.00 H new ATOM 0 HA SER A 17 15.518 6.486 -0.737 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.258 4.958 0.496 1.00 0.00 H new ATOM 0 HB3 SER A 17 13.223 5.209 -0.896 1.00 0.00 H new ATOM 0 HG SER A 17 13.886 2.913 -0.116 1.00 0.00 H new ATOM 237 N SER A 18 17.501 5.024 -0.383 1.00 0.00 N ATOM 238 CA SER A 18 18.759 4.294 -0.289 1.00 0.00 C ATOM 239 C SER A 18 18.752 3.353 0.913 1.00 0.00 C ATOM 240 O SER A 18 19.649 3.399 1.755 1.00 0.00 O ATOM 241 CB SER A 18 19.933 5.269 -0.182 1.00 0.00 C ATOM 242 OG SER A 18 19.876 6.004 1.028 1.00 0.00 O ATOM 0 H SER A 18 17.397 5.775 0.300 1.00 0.00 H new ATOM 0 HA SER A 18 18.874 3.698 -1.194 1.00 0.00 H new ATOM 0 HB2 SER A 18 20.873 4.719 -0.233 1.00 0.00 H new ATOM 0 HB3 SER A 18 19.919 5.955 -1.029 1.00 0.00 H new ATOM 0 HG SER A 18 19.932 5.388 1.788 1.00 0.00 H new ATOM 248 N MET A 19 17.734 2.502 0.985 1.00 0.00 N ATOM 249 CA MET A 19 17.611 1.550 2.082 1.00 0.00 C ATOM 250 C MET A 19 16.858 0.301 1.636 1.00 0.00 C ATOM 251 O MET A 19 16.196 0.301 0.598 1.00 0.00 O ATOM 252 CB MET A 19 16.893 2.197 3.268 1.00 0.00 C ATOM 253 CG MET A 19 17.609 3.419 3.819 1.00 0.00 C ATOM 254 SD MET A 19 17.130 3.798 5.516 1.00 0.00 S ATOM 255 CE MET A 19 15.344 3.761 5.380 1.00 0.00 C ATOM 0 H MET A 19 16.983 2.452 0.297 1.00 0.00 H new ATOM 0 HA MET A 19 18.614 1.256 2.390 1.00 0.00 H new ATOM 0 HB2 MET A 19 15.887 2.483 2.961 1.00 0.00 H new ATOM 0 HB3 MET A 19 16.786 1.460 4.063 1.00 0.00 H new ATOM 0 HG2 MET A 19 18.686 3.254 3.778 1.00 0.00 H new ATOM 0 HG3 MET A 19 17.394 4.279 3.184 1.00 0.00 H new ATOM 0 HE1 MET A 19 14.902 4.229 6.260 1.00 0.00 H new ATOM 0 HE2 MET A 19 15.036 4.304 4.486 1.00 0.00 H new ATOM 0 HE3 MET A 19 15.006 2.727 5.311 1.00 0.00 H new ATOM 265 N ASP A 20 16.963 -0.762 2.426 1.00 0.00 N ATOM 266 CA ASP A 20 16.291 -2.017 2.113 1.00 0.00 C ATOM 267 C ASP A 20 14.781 -1.818 2.025 1.00 0.00 C ATOM 268 O ASP A 20 14.199 -0.984 2.718 1.00 0.00 O ATOM 269 CB ASP A 20 16.618 -3.073 3.170 1.00 0.00 C ATOM 270 CG ASP A 20 17.939 -3.768 2.905 1.00 0.00 C ATOM 271 OD1 ASP A 20 18.828 -3.139 2.294 1.00 0.00 O ATOM 272 OD2 ASP A 20 18.084 -4.942 3.307 1.00 0.00 O ATOM 0 H ASP A 20 17.508 -0.779 3.288 1.00 0.00 H new ATOM 0 HA ASP A 20 16.651 -2.361 1.143 1.00 0.00 H new ATOM 0 HB2 ASP A 20 16.649 -2.602 4.152 1.00 0.00 H new ATOM 0 HB3 ASP A 20 15.820 -3.815 3.197 1.00 0.00 H new ATOM 277 N PRO A 21 14.130 -2.602 1.152 1.00 0.00 N ATOM 278 CA PRO A 21 12.680 -2.530 0.953 1.00 0.00 C ATOM 279 C PRO A 21 11.903 -3.056 2.155 1.00 0.00 C ATOM 280 O PRO A 21 10.707 -2.798 2.294 1.00 0.00 O ATOM 281 CB PRO A 21 12.445 -3.423 -0.268 1.00 0.00 C ATOM 282 CG PRO A 21 13.588 -4.378 -0.265 1.00 0.00 C ATOM 283 CD PRO A 21 14.760 -3.619 0.294 1.00 0.00 C ATOM 0 HA PRO A 21 12.337 -1.504 0.820 1.00 0.00 H new ATOM 0 HB2 PRO A 21 11.492 -3.947 -0.198 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.420 -2.838 -1.187 1.00 0.00 H new ATOM 0 HG2 PRO A 21 13.364 -5.253 0.344 1.00 0.00 H new ATOM 0 HG3 PRO A 21 13.800 -4.736 -1.272 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.425 -4.269 0.863 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.358 -3.164 -0.496 1.00 0.00 H new ATOM 291 N SER A 22 12.589 -3.795 3.020 1.00 0.00 N ATOM 292 CA SER A 22 11.961 -4.360 4.209 1.00 0.00 C ATOM 293 C SER A 22 11.672 -3.273 5.240 1.00 0.00 C ATOM 294 O SER A 22 10.737 -3.387 6.033 1.00 0.00 O ATOM 295 CB SER A 22 12.860 -5.435 4.824 1.00 0.00 C ATOM 296 OG SER A 22 12.649 -6.692 4.204 1.00 0.00 O ATOM 0 H SER A 22 13.580 -4.017 2.920 1.00 0.00 H new ATOM 0 HA SER A 22 11.016 -4.813 3.910 1.00 0.00 H new ATOM 0 HB2 SER A 22 13.905 -5.144 4.717 1.00 0.00 H new ATOM 0 HB3 SER A 22 12.659 -5.514 5.892 1.00 0.00 H new ATOM 0 HG SER A 22 13.236 -7.361 4.613 1.00 0.00 H new ATOM 302 N ASP A 23 12.481 -2.219 5.222 1.00 0.00 N ATOM 303 CA ASP A 23 12.313 -1.110 6.153 1.00 0.00 C ATOM 304 C ASP A 23 11.331 -0.081 5.601 1.00 0.00 C ATOM 305 O ASP A 23 10.534 0.492 6.344 1.00 0.00 O ATOM 306 CB ASP A 23 13.661 -0.446 6.438 1.00 0.00 C ATOM 307 CG ASP A 23 14.614 -1.364 7.177 1.00 0.00 C ATOM 308 OD1 ASP A 23 14.552 -1.405 8.423 1.00 0.00 O ATOM 309 OD2 ASP A 23 15.423 -2.042 6.509 1.00 0.00 O ATOM 0 H ASP A 23 13.260 -2.110 4.572 1.00 0.00 H new ATOM 0 HA ASP A 23 11.909 -1.508 7.084 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.116 -0.136 5.497 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.501 0.457 7.027 1.00 0.00 H new ATOM 314 N MET A 24 11.396 0.149 4.294 1.00 0.00 N ATOM 315 CA MET A 24 10.513 1.109 3.642 1.00 0.00 C ATOM 316 C MET A 24 9.062 0.880 4.054 1.00 0.00 C ATOM 317 O MET A 24 8.291 1.828 4.200 1.00 0.00 O ATOM 318 CB MET A 24 10.645 1.007 2.122 1.00 0.00 C ATOM 319 CG MET A 24 11.875 1.711 1.570 1.00 0.00 C ATOM 320 SD MET A 24 11.557 3.434 1.147 1.00 0.00 S ATOM 321 CE MET A 24 10.945 3.265 -0.528 1.00 0.00 C ATOM 0 H MET A 24 12.051 -0.316 3.665 1.00 0.00 H new ATOM 0 HA MET A 24 10.809 2.109 3.958 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.681 -0.045 1.838 1.00 0.00 H new ATOM 0 HB3 MET A 24 9.755 1.432 1.659 1.00 0.00 H new ATOM 0 HG2 MET A 24 12.677 1.664 2.307 1.00 0.00 H new ATOM 0 HG3 MET A 24 12.225 1.182 0.684 1.00 0.00 H new ATOM 0 HE1 MET A 24 10.822 4.253 -0.972 1.00 0.00 H new ATOM 0 HE2 MET A 24 11.656 2.688 -1.119 1.00 0.00 H new ATOM 0 HE3 MET A 24 9.984 2.751 -0.514 1.00 0.00 H new ATOM 331 N MET A 25 8.697 -0.385 4.241 1.00 0.00 N ATOM 332 CA MET A 25 7.339 -0.737 4.637 1.00 0.00 C ATOM 333 C MET A 25 6.978 -0.095 5.973 1.00 0.00 C ATOM 334 O MET A 25 5.861 0.389 6.158 1.00 0.00 O ATOM 335 CB MET A 25 7.191 -2.257 4.732 1.00 0.00 C ATOM 336 CG MET A 25 7.052 -2.940 3.381 1.00 0.00 C ATOM 337 SD MET A 25 6.138 -4.491 3.477 1.00 0.00 S ATOM 338 CE MET A 25 4.494 -3.944 3.025 1.00 0.00 C ATOM 0 H MET A 25 9.323 -1.182 4.125 1.00 0.00 H new ATOM 0 HA MET A 25 6.656 -0.359 3.876 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.059 -2.667 5.249 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.317 -2.491 5.340 1.00 0.00 H new ATOM 0 HG2 MET A 25 6.546 -2.267 2.689 1.00 0.00 H new ATOM 0 HG3 MET A 25 8.044 -3.132 2.972 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.815 -4.797 3.022 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.145 -3.205 3.746 1.00 0.00 H new ATOM 0 HE3 MET A 25 4.520 -3.497 2.031 1.00 0.00 H new ATOM 348 N ARG A 26 7.930 -0.095 6.900 1.00 0.00 N ATOM 349 CA ARG A 26 7.711 0.487 8.219 1.00 0.00 C ATOM 350 C ARG A 26 7.414 1.980 8.113 1.00 0.00 C ATOM 351 O ARG A 26 6.402 2.458 8.622 1.00 0.00 O ATOM 352 CB ARG A 26 8.935 0.261 9.109 1.00 0.00 C ATOM 353 CG ARG A 26 8.709 0.643 10.563 1.00 0.00 C ATOM 354 CD ARG A 26 9.883 0.227 11.436 1.00 0.00 C ATOM 355 NE ARG A 26 9.870 0.905 12.729 1.00 0.00 N ATOM 356 CZ ARG A 26 10.886 0.877 13.584 1.00 0.00 C ATOM 357 NH1 ARG A 26 11.990 0.206 13.285 1.00 0.00 N ATOM 358 NH2 ARG A 26 10.799 1.519 14.742 1.00 0.00 N ATOM 0 H ARG A 26 8.860 -0.491 6.762 1.00 0.00 H new ATOM 0 HA ARG A 26 6.848 -0.006 8.667 1.00 0.00 H new ATOM 0 HB2 ARG A 26 9.222 -0.789 9.058 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.771 0.839 8.716 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.561 1.720 10.639 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.797 0.170 10.927 1.00 0.00 H new ATOM 0 HD2 ARG A 26 9.855 -0.851 11.592 1.00 0.00 H new ATOM 0 HD3 ARG A 26 10.816 0.450 10.919 1.00 0.00 H new ATOM 0 HE ARG A 26 9.035 1.429 12.990 1.00 0.00 H new ATOM 0 HH11 ARG A 26 12.060 -0.290 12.397 1.00 0.00 H new ATOM 0 HH12 ARG A 26 12.769 0.186 13.943 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.951 2.035 14.977 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.580 1.497 15.398 1.00 0.00 H new ATOM 372 N GLU A 27 8.305 2.709 7.447 1.00 0.00 N ATOM 373 CA GLU A 27 8.138 4.147 7.276 1.00 0.00 C ATOM 374 C GLU A 27 6.810 4.464 6.595 1.00 0.00 C ATOM 375 O GLU A 27 6.004 5.237 7.113 1.00 0.00 O ATOM 376 CB GLU A 27 9.295 4.723 6.456 1.00 0.00 C ATOM 377 CG GLU A 27 9.139 6.200 6.136 1.00 0.00 C ATOM 378 CD GLU A 27 9.726 7.094 7.211 1.00 0.00 C ATOM 379 OE1 GLU A 27 9.189 7.100 8.338 1.00 0.00 O ATOM 380 OE2 GLU A 27 10.723 7.789 6.924 1.00 0.00 O ATOM 0 H GLU A 27 9.148 2.328 7.018 1.00 0.00 H new ATOM 0 HA GLU A 27 8.138 4.607 8.264 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.226 4.575 7.003 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.381 4.165 5.524 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.625 6.415 5.184 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.081 6.432 6.013 1.00 0.00 H new ATOM 387 N ILE A 28 6.590 3.861 5.431 1.00 0.00 N ATOM 388 CA ILE A 28 5.361 4.078 4.679 1.00 0.00 C ATOM 389 C ILE A 28 4.153 4.147 5.608 1.00 0.00 C ATOM 390 O ILE A 28 3.321 5.047 5.496 1.00 0.00 O ATOM 391 CB ILE A 28 5.132 2.964 3.640 1.00 0.00 C ATOM 392 CG1 ILE A 28 6.100 3.126 2.466 1.00 0.00 C ATOM 393 CG2 ILE A 28 3.691 2.982 3.153 1.00 0.00 C ATOM 394 CD1 ILE A 28 5.959 2.048 1.415 1.00 0.00 C ATOM 0 H ILE A 28 7.247 3.218 4.989 1.00 0.00 H new ATOM 0 HA ILE A 28 5.473 5.030 4.160 1.00 0.00 H new ATOM 0 HB ILE A 28 5.322 2.001 4.113 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.936 4.099 2.002 1.00 0.00 H new ATOM 0 HG13 ILE A 28 7.122 3.122 2.845 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.545 2.189 2.419 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.020 2.824 3.997 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.474 3.946 2.693 1.00 0.00 H new ATOM 0 HD11 ILE A 28 6.675 2.226 0.613 1.00 0.00 H new ATOM 0 HD12 ILE A 28 6.152 1.074 1.865 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.948 2.066 1.009 1.00 0.00 H new ATOM 406 N ARG A 29 4.065 3.190 6.527 1.00 0.00 N ATOM 407 CA ARG A 29 2.960 3.142 7.476 1.00 0.00 C ATOM 408 C ARG A 29 3.088 4.251 8.516 1.00 0.00 C ATOM 409 O ARG A 29 2.212 5.107 8.639 1.00 0.00 O ATOM 410 CB ARG A 29 2.915 1.780 8.170 1.00 0.00 C ATOM 411 CG ARG A 29 2.465 0.648 7.262 1.00 0.00 C ATOM 412 CD ARG A 29 2.569 -0.700 7.958 1.00 0.00 C ATOM 413 NE ARG A 29 3.929 -1.231 7.922 1.00 0.00 N ATOM 414 CZ ARG A 29 4.219 -2.519 8.071 1.00 0.00 C ATOM 415 NH1 ARG A 29 3.249 -3.403 8.263 1.00 0.00 N ATOM 416 NH2 ARG A 29 5.481 -2.925 8.026 1.00 0.00 N ATOM 0 H ARG A 29 4.746 2.438 6.634 1.00 0.00 H new ATOM 0 HA ARG A 29 2.032 3.291 6.923 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.906 1.548 8.561 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.241 1.839 9.024 1.00 0.00 H new ATOM 0 HG2 ARG A 29 1.435 0.819 6.949 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.075 0.640 6.359 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.247 -0.599 8.994 1.00 0.00 H new ATOM 0 HD3 ARG A 29 1.891 -1.408 7.481 1.00 0.00 H new ATOM 0 HE ARG A 29 4.698 -0.577 7.774 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.277 -3.095 8.297 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.475 -4.391 8.377 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.229 -2.248 7.877 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.703 -3.914 8.140 1.00 0.00 H new ATOM 430 N LYS A 30 4.186 4.230 9.264 1.00 0.00 N ATOM 431 CA LYS A 30 4.431 5.233 10.294 1.00 0.00 C ATOM 432 C LYS A 30 4.000 6.617 9.819 1.00 0.00 C ATOM 433 O LYS A 30 3.573 7.452 10.615 1.00 0.00 O ATOM 434 CB LYS A 30 5.913 5.251 10.675 1.00 0.00 C ATOM 435 CG LYS A 30 6.295 6.414 11.574 1.00 0.00 C ATOM 436 CD LYS A 30 7.803 6.581 11.658 1.00 0.00 C ATOM 437 CE LYS A 30 8.425 5.568 12.607 1.00 0.00 C ATOM 438 NZ LYS A 30 9.912 5.643 12.601 1.00 0.00 N ATOM 0 H LYS A 30 4.921 3.528 9.176 1.00 0.00 H new ATOM 0 HA LYS A 30 3.840 4.969 11.171 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.162 4.317 11.178 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.513 5.293 9.766 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.847 7.332 11.193 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.890 6.252 12.573 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.238 6.466 10.665 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.040 7.590 11.995 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.057 5.743 13.618 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.111 4.564 12.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.298 4.937 13.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.265 5.451 11.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.213 6.594 12.897 1.00 0.00 H new ATOM 452 N VAL A 31 4.114 6.852 8.515 1.00 0.00 N ATOM 453 CA VAL A 31 3.734 8.134 7.934 1.00 0.00 C ATOM 454 C VAL A 31 2.227 8.214 7.719 1.00 0.00 C ATOM 455 O VAL A 31 1.577 9.168 8.149 1.00 0.00 O ATOM 456 CB VAL A 31 4.447 8.373 6.589 1.00 0.00 C ATOM 457 CG1 VAL A 31 3.887 9.609 5.901 1.00 0.00 C ATOM 458 CG2 VAL A 31 5.948 8.504 6.799 1.00 0.00 C ATOM 0 H VAL A 31 4.466 6.171 7.842 1.00 0.00 H new ATOM 0 HA VAL A 31 4.039 8.906 8.641 1.00 0.00 H new ATOM 0 HB VAL A 31 4.267 7.514 5.943 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.402 9.762 4.953 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.821 9.472 5.717 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.036 10.480 6.540 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.436 8.672 5.839 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.151 9.345 7.462 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.334 7.588 7.247 1.00 0.00 H new ATOM 468 N LEU A 32 1.676 7.207 7.051 1.00 0.00 N ATOM 469 CA LEU A 32 0.243 7.163 6.779 1.00 0.00 C ATOM 470 C LEU A 32 -0.561 7.312 8.066 1.00 0.00 C ATOM 471 O LEU A 32 -1.570 8.014 8.102 1.00 0.00 O ATOM 472 CB LEU A 32 -0.124 5.850 6.084 1.00 0.00 C ATOM 473 CG LEU A 32 0.387 5.683 4.652 1.00 0.00 C ATOM 474 CD1 LEU A 32 0.569 4.210 4.319 1.00 0.00 C ATOM 475 CD2 LEU A 32 -0.567 6.341 3.666 1.00 0.00 C ATOM 0 H LEU A 32 2.199 6.410 6.688 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.002 7.997 6.121 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.260 5.025 6.684 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.210 5.759 6.074 1.00 0.00 H new ATOM 0 HG LEU A 32 1.356 6.175 4.572 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.933 4.110 3.296 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.291 3.768 5.006 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.386 3.694 4.416 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.188 6.213 2.652 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.550 5.878 3.747 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.647 7.404 3.891 1.00 0.00 H new ATOM 487 N GLY A 33 -0.104 6.647 9.124 1.00 0.00 N ATOM 488 CA GLY A 33 -0.791 6.720 10.400 1.00 0.00 C ATOM 489 C GLY A 33 -0.823 8.128 10.961 1.00 0.00 C ATOM 490 O GLY A 33 -1.835 8.562 11.510 1.00 0.00 O ATOM 0 H GLY A 33 0.730 6.059 9.119 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.812 6.356 10.281 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.298 6.059 11.113 1.00 0.00 H new ATOM 494 N ALA A 34 0.290 8.842 10.826 1.00 0.00 N ATOM 495 CA ALA A 34 0.386 10.209 11.324 1.00 0.00 C ATOM 496 C ALA A 34 -0.543 11.141 10.552 1.00 0.00 C ATOM 497 O ALA A 34 -1.090 12.090 11.112 1.00 0.00 O ATOM 498 CB ALA A 34 1.822 10.703 11.238 1.00 0.00 C ATOM 0 H ALA A 34 1.138 8.496 10.376 1.00 0.00 H new ATOM 0 HA ALA A 34 0.075 10.211 12.369 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.878 11.725 11.613 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.465 10.060 11.839 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.154 10.679 10.200 1.00 0.00 H new ATOM 504 N ASN A 35 -0.716 10.863 9.264 1.00 0.00 N ATOM 505 CA ASN A 35 -1.578 11.677 8.416 1.00 0.00 C ATOM 506 C ASN A 35 -3.027 11.209 8.503 1.00 0.00 C ATOM 507 O ASN A 35 -3.799 11.365 7.558 1.00 0.00 O ATOM 508 CB ASN A 35 -1.099 11.621 6.964 1.00 0.00 C ATOM 509 CG ASN A 35 0.004 12.622 6.680 1.00 0.00 C ATOM 510 OD1 ASN A 35 -0.254 13.811 6.493 1.00 0.00 O ATOM 511 ND2 ASN A 35 1.242 12.144 6.645 1.00 0.00 N ATOM 0 H ASN A 35 -0.271 10.080 8.785 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.526 12.707 8.770 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.740 10.616 6.741 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.941 11.814 6.299 1.00 0.00 H new ATOM 0 HD21 ASN A 35 2.025 12.770 6.457 1.00 0.00 H new ATOM 0 HD22 ASN A 35 1.410 11.151 6.806 1.00 0.00 H new ATOM 518 N ASN A 36 -3.390 10.635 9.646 1.00 0.00 N ATOM 519 CA ASN A 36 -4.747 10.144 9.858 1.00 0.00 C ATOM 520 C ASN A 36 -5.279 9.459 8.603 1.00 0.00 C ATOM 521 O ASN A 36 -6.375 9.768 8.133 1.00 0.00 O ATOM 522 CB ASN A 36 -5.672 11.296 10.256 1.00 0.00 C ATOM 523 CG ASN A 36 -5.565 11.640 11.729 1.00 0.00 C ATOM 524 OD1 ASN A 36 -5.987 10.868 12.590 1.00 0.00 O ATOM 525 ND2 ASN A 36 -5.000 12.805 12.025 1.00 0.00 N ATOM 0 H ASN A 36 -2.763 10.499 10.439 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.721 9.413 10.666 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.428 12.176 9.661 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.702 11.029 10.022 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -4.902 13.091 12.999 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.664 13.413 11.278 1.00 0.00 H new ATOM 532 N CYS A 37 -4.498 8.529 8.066 1.00 0.00 N ATOM 533 CA CYS A 37 -4.891 7.800 6.865 1.00 0.00 C ATOM 534 C CYS A 37 -5.154 6.332 7.182 1.00 0.00 C ATOM 535 O CYS A 37 -4.689 5.812 8.197 1.00 0.00 O ATOM 536 CB CYS A 37 -3.804 7.916 5.795 1.00 0.00 C ATOM 537 SG CYS A 37 -3.883 9.440 4.825 1.00 0.00 S ATOM 0 H CYS A 37 -3.589 8.262 8.443 1.00 0.00 H new ATOM 0 HA CYS A 37 -5.813 8.242 6.486 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.828 7.854 6.276 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.881 7.064 5.120 1.00 0.00 H new ATOM 0 HG CYS A 37 -4.758 10.244 5.351 1.00 0.00 H new ATOM 543 N ASP A 38 -5.904 5.669 6.309 1.00 0.00 N ATOM 544 CA ASP A 38 -6.231 4.260 6.496 1.00 0.00 C ATOM 545 C ASP A 38 -5.451 3.387 5.518 1.00 0.00 C ATOM 546 O ASP A 38 -5.623 3.492 4.303 1.00 0.00 O ATOM 547 CB ASP A 38 -7.733 4.034 6.315 1.00 0.00 C ATOM 548 CG ASP A 38 -8.502 4.183 7.613 1.00 0.00 C ATOM 549 OD1 ASP A 38 -8.496 3.230 8.419 1.00 0.00 O ATOM 550 OD2 ASP A 38 -9.108 5.254 7.823 1.00 0.00 O ATOM 0 H ASP A 38 -6.297 6.085 5.465 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.949 3.979 7.511 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -8.119 4.745 5.584 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -7.901 3.036 5.909 1.00 0.00 H new ATOM 555 N TYR A 39 -4.593 2.527 6.055 1.00 0.00 N ATOM 556 CA TYR A 39 -3.784 1.638 5.230 1.00 0.00 C ATOM 557 C TYR A 39 -4.208 0.185 5.417 1.00 0.00 C ATOM 558 O TYR A 39 -4.714 -0.194 6.473 1.00 0.00 O ATOM 559 CB TYR A 39 -2.302 1.797 5.574 1.00 0.00 C ATOM 560 CG TYR A 39 -1.999 1.620 7.044 1.00 0.00 C ATOM 561 CD1 TYR A 39 -2.208 2.657 7.946 1.00 0.00 C ATOM 562 CD2 TYR A 39 -1.503 0.418 7.532 1.00 0.00 C ATOM 563 CE1 TYR A 39 -1.933 2.500 9.291 1.00 0.00 C ATOM 564 CE2 TYR A 39 -1.226 0.251 8.875 1.00 0.00 C ATOM 565 CZ TYR A 39 -1.442 1.295 9.750 1.00 0.00 C ATOM 566 OH TYR A 39 -1.166 1.134 11.089 1.00 0.00 O ATOM 0 H TYR A 39 -4.440 2.427 7.058 1.00 0.00 H new ATOM 0 HA TYR A 39 -3.939 1.911 4.186 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.725 1.070 5.003 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.969 2.786 5.260 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -2.592 3.601 7.589 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.331 -0.401 6.849 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.101 3.315 9.979 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.843 -0.691 9.238 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.829 0.228 11.247 1.00 0.00 H new ATOM 576 N GLU A 40 -3.996 -0.624 4.384 1.00 0.00 N ATOM 577 CA GLU A 40 -4.356 -2.036 4.434 1.00 0.00 C ATOM 578 C GLU A 40 -3.305 -2.891 3.731 1.00 0.00 C ATOM 579 O GLU A 40 -2.749 -2.492 2.709 1.00 0.00 O ATOM 580 CB GLU A 40 -5.726 -2.259 3.788 1.00 0.00 C ATOM 581 CG GLU A 40 -6.892 -1.955 4.714 1.00 0.00 C ATOM 582 CD GLU A 40 -6.984 -0.484 5.070 1.00 0.00 C ATOM 583 OE1 GLU A 40 -6.632 0.356 4.216 1.00 0.00 O ATOM 584 OE2 GLU A 40 -7.408 -0.173 6.203 1.00 0.00 O ATOM 0 H GLU A 40 -3.577 -0.326 3.503 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.402 -2.336 5.481 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.806 -1.633 2.899 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.797 -3.295 3.455 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.821 -2.269 4.238 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.788 -2.541 5.627 1.00 0.00 H new ATOM 591 N GLN A 41 -3.040 -4.068 4.288 1.00 0.00 N ATOM 592 CA GLN A 41 -2.055 -4.979 3.716 1.00 0.00 C ATOM 593 C GLN A 41 -2.615 -5.682 2.484 1.00 0.00 C ATOM 594 O GLN A 41 -3.489 -6.542 2.592 1.00 0.00 O ATOM 595 CB GLN A 41 -1.622 -6.014 4.756 1.00 0.00 C ATOM 596 CG GLN A 41 -0.489 -6.912 4.285 1.00 0.00 C ATOM 597 CD GLN A 41 0.878 -6.299 4.519 1.00 0.00 C ATOM 598 OE1 GLN A 41 1.020 -5.342 5.281 1.00 0.00 O ATOM 599 NE2 GLN A 41 1.893 -6.848 3.862 1.00 0.00 N ATOM 0 H GLN A 41 -3.493 -4.413 5.134 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.187 -4.393 3.414 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.311 -5.497 5.664 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -2.480 -6.633 5.020 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.548 -7.868 4.805 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.613 -7.119 3.222 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.729 -7.640 3.241 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.836 -6.478 3.979 1.00 0.00 H new ATOM 608 N ARG A 42 -2.106 -5.310 1.314 1.00 0.00 N ATOM 609 CA ARG A 42 -2.556 -5.904 0.061 1.00 0.00 C ATOM 610 C ARG A 42 -1.618 -7.024 -0.378 1.00 0.00 C ATOM 611 O ARG A 42 -1.953 -8.204 -0.273 1.00 0.00 O ATOM 612 CB ARG A 42 -2.641 -4.838 -1.032 1.00 0.00 C ATOM 613 CG ARG A 42 -3.564 -3.681 -0.684 1.00 0.00 C ATOM 614 CD ARG A 42 -4.989 -3.948 -1.143 1.00 0.00 C ATOM 615 NE ARG A 42 -5.100 -3.973 -2.599 1.00 0.00 N ATOM 616 CZ ARG A 42 -6.144 -4.476 -3.248 1.00 0.00 C ATOM 617 NH1 ARG A 42 -7.162 -4.993 -2.574 1.00 0.00 N ATOM 618 NH2 ARG A 42 -6.171 -4.463 -4.575 1.00 0.00 N ATOM 0 H ARG A 42 -1.382 -4.600 1.208 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.547 -6.327 0.224 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -1.642 -4.449 -1.226 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.987 -5.303 -1.955 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.552 -3.516 0.393 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.196 -2.767 -1.150 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.328 -4.901 -0.737 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.649 -3.179 -0.742 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.334 -3.583 -3.148 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.145 -5.005 -1.554 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -7.962 -5.378 -3.075 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.390 -4.067 -5.097 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.973 -4.850 -5.073 1.00 0.00 H new ATOM 632 N GLU A 43 -0.442 -6.646 -0.869 1.00 0.00 N ATOM 633 CA GLU A 43 0.544 -7.619 -1.325 1.00 0.00 C ATOM 634 C GLU A 43 1.681 -7.756 -0.316 1.00 0.00 C ATOM 635 O GLU A 43 1.655 -7.142 0.751 1.00 0.00 O ATOM 636 CB GLU A 43 1.104 -7.211 -2.689 1.00 0.00 C ATOM 637 CG GLU A 43 0.070 -7.232 -3.802 1.00 0.00 C ATOM 638 CD GLU A 43 -1.158 -6.405 -3.475 1.00 0.00 C ATOM 639 OE1 GLU A 43 -1.052 -5.161 -3.472 1.00 0.00 O ATOM 640 OE2 GLU A 43 -2.225 -7.003 -3.221 1.00 0.00 O ATOM 0 H GLU A 43 -0.149 -5.673 -0.961 1.00 0.00 H new ATOM 0 HA GLU A 43 0.047 -8.584 -1.419 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.525 -6.208 -2.614 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.922 -7.882 -2.952 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.522 -6.856 -4.720 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.231 -8.262 -3.993 1.00 0.00 H new ATOM 647 N ARG A 44 2.676 -8.565 -0.662 1.00 0.00 N ATOM 648 CA ARG A 44 3.822 -8.784 0.213 1.00 0.00 C ATOM 649 C ARG A 44 4.542 -7.471 0.505 1.00 0.00 C ATOM 650 O ARG A 44 4.970 -7.223 1.633 1.00 0.00 O ATOM 651 CB ARG A 44 4.793 -9.780 -0.422 1.00 0.00 C ATOM 652 CG ARG A 44 5.988 -10.112 0.457 1.00 0.00 C ATOM 653 CD ARG A 44 6.910 -11.119 -0.212 1.00 0.00 C ATOM 654 NE ARG A 44 6.256 -12.410 -0.413 1.00 0.00 N ATOM 655 CZ ARG A 44 6.884 -13.488 -0.869 1.00 0.00 C ATOM 656 NH1 ARG A 44 8.174 -13.431 -1.169 1.00 0.00 N ATOM 657 NH2 ARG A 44 6.221 -14.627 -1.024 1.00 0.00 N ATOM 0 H ARG A 44 2.712 -9.080 -1.542 1.00 0.00 H new ATOM 0 HA ARG A 44 3.455 -9.194 1.154 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.256 -10.700 -0.653 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.151 -9.373 -1.368 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.543 -9.200 0.678 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.640 -10.512 1.409 1.00 0.00 H new ATOM 0 HD2 ARG A 44 7.240 -10.726 -1.174 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.802 -11.256 0.399 1.00 0.00 H new ATOM 0 HE ARG A 44 5.263 -12.488 -0.191 1.00 0.00 H new ATOM 0 HH11 ARG A 44 8.687 -12.558 -1.050 1.00 0.00 H new ATOM 0 HH12 ARG A 44 8.653 -14.261 -1.519 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.229 -14.675 -0.793 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.704 -15.454 -1.374 1.00 0.00 H new ATOM 671 N PHE A 45 4.672 -6.633 -0.518 1.00 0.00 N ATOM 672 CA PHE A 45 5.342 -5.346 -0.372 1.00 0.00 C ATOM 673 C PHE A 45 4.472 -4.216 -0.916 1.00 0.00 C ATOM 674 O PHE A 45 4.962 -3.312 -1.595 1.00 0.00 O ATOM 675 CB PHE A 45 6.689 -5.363 -1.098 1.00 0.00 C ATOM 676 CG PHE A 45 7.830 -5.817 -0.233 1.00 0.00 C ATOM 677 CD1 PHE A 45 8.175 -5.111 0.908 1.00 0.00 C ATOM 678 CD2 PHE A 45 8.557 -6.950 -0.561 1.00 0.00 C ATOM 679 CE1 PHE A 45 9.225 -5.527 1.705 1.00 0.00 C ATOM 680 CE2 PHE A 45 9.608 -7.370 0.233 1.00 0.00 C ATOM 681 CZ PHE A 45 9.941 -6.658 1.368 1.00 0.00 C ATOM 0 H PHE A 45 4.322 -6.822 -1.457 1.00 0.00 H new ATOM 0 HA PHE A 45 5.512 -5.171 0.690 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.617 -6.020 -1.965 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.903 -4.362 -1.473 1.00 0.00 H new ATOM 0 HD1 PHE A 45 7.618 -4.226 1.178 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.300 -7.511 -1.447 1.00 0.00 H new ATOM 0 HE1 PHE A 45 9.485 -4.967 2.591 1.00 0.00 H new ATOM 0 HE2 PHE A 45 10.168 -8.254 -0.034 1.00 0.00 H new ATOM 0 HZ PHE A 45 10.760 -6.985 1.991 1.00 0.00 H new ATOM 691 N LEU A 46 3.180 -4.274 -0.614 1.00 0.00 N ATOM 692 CA LEU A 46 2.241 -3.257 -1.072 1.00 0.00 C ATOM 693 C LEU A 46 1.233 -2.915 0.020 1.00 0.00 C ATOM 694 O LEU A 46 0.843 -3.775 0.811 1.00 0.00 O ATOM 695 CB LEU A 46 1.508 -3.739 -2.325 1.00 0.00 C ATOM 696 CG LEU A 46 0.837 -2.654 -3.169 1.00 0.00 C ATOM 697 CD1 LEU A 46 0.784 -3.071 -4.631 1.00 0.00 C ATOM 698 CD2 LEU A 46 -0.562 -2.361 -2.646 1.00 0.00 C ATOM 0 H LEU A 46 2.759 -5.015 -0.054 1.00 0.00 H new ATOM 0 HA LEU A 46 2.807 -2.357 -1.313 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.219 -4.273 -2.955 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.747 -4.458 -2.022 1.00 0.00 H new ATOM 0 HG LEU A 46 1.431 -1.743 -3.093 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.303 -2.287 -5.216 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.797 -3.230 -5.001 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.214 -3.995 -4.725 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.025 -1.587 -3.258 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.165 -3.268 -2.691 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.500 -2.018 -1.613 1.00 0.00 H new ATOM 710 N LEU A 47 0.813 -1.655 0.057 1.00 0.00 N ATOM 711 CA LEU A 47 -0.152 -1.199 1.051 1.00 0.00 C ATOM 712 C LEU A 47 -1.141 -0.213 0.438 1.00 0.00 C ATOM 713 O LEU A 47 -0.875 0.380 -0.608 1.00 0.00 O ATOM 714 CB LEU A 47 0.571 -0.546 2.231 1.00 0.00 C ATOM 715 CG LEU A 47 1.353 -1.491 3.144 1.00 0.00 C ATOM 716 CD1 LEU A 47 2.203 -0.701 4.127 1.00 0.00 C ATOM 717 CD2 LEU A 47 0.405 -2.423 3.886 1.00 0.00 C ATOM 0 H LEU A 47 1.126 -0.931 -0.590 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.706 -2.067 1.407 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.260 0.202 1.840 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.166 -0.016 2.835 1.00 0.00 H new ATOM 0 HG LEU A 47 2.016 -2.096 2.526 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.752 -1.390 4.769 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.908 -0.076 3.578 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.559 -0.070 4.740 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.979 -3.088 4.531 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.283 -1.834 4.493 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.161 -3.015 3.166 1.00 0.00 H new ATOM 729 N PHE A 48 -2.283 -0.041 1.096 1.00 0.00 N ATOM 730 CA PHE A 48 -3.311 0.875 0.617 1.00 0.00 C ATOM 731 C PHE A 48 -3.183 2.238 1.290 1.00 0.00 C ATOM 732 O PHE A 48 -2.705 2.342 2.420 1.00 0.00 O ATOM 733 CB PHE A 48 -4.703 0.294 0.877 1.00 0.00 C ATOM 734 CG PHE A 48 -5.751 0.800 -0.071 1.00 0.00 C ATOM 735 CD1 PHE A 48 -5.610 0.627 -1.439 1.00 0.00 C ATOM 736 CD2 PHE A 48 -6.879 1.450 0.404 1.00 0.00 C ATOM 737 CE1 PHE A 48 -6.572 1.093 -2.314 1.00 0.00 C ATOM 738 CE2 PHE A 48 -7.845 1.918 -0.466 1.00 0.00 C ATOM 739 CZ PHE A 48 -7.692 1.738 -1.827 1.00 0.00 C ATOM 0 H PHE A 48 -2.520 -0.524 1.963 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.173 1.006 -0.456 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.654 -0.792 0.805 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.002 0.532 1.898 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -4.737 0.122 -1.826 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -7.005 1.592 1.467 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -6.448 0.953 -3.378 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -8.719 2.424 -0.082 1.00 0.00 H new ATOM 0 HZ PHE A 48 -8.447 2.101 -2.509 1.00 0.00 H new ATOM 749 N CYS A 49 -3.613 3.280 0.587 1.00 0.00 N ATOM 750 CA CYS A 49 -3.545 4.638 1.116 1.00 0.00 C ATOM 751 C CYS A 49 -4.880 5.356 0.944 1.00 0.00 C ATOM 752 O CYS A 49 -5.417 5.434 -0.161 1.00 0.00 O ATOM 753 CB CYS A 49 -2.436 5.425 0.416 1.00 0.00 C ATOM 754 SG CYS A 49 -0.968 4.444 0.025 1.00 0.00 S ATOM 0 H CYS A 49 -4.012 3.211 -0.349 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.321 4.576 2.181 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.833 5.849 -0.506 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -2.143 6.261 1.051 1.00 0.00 H new ATOM 0 HG CYS A 49 0.066 5.227 -0.066 1.00 0.00 H new ATOM 760 N VAL A 50 -5.412 5.878 2.045 1.00 0.00 N ATOM 761 CA VAL A 50 -6.684 6.588 2.016 1.00 0.00 C ATOM 762 C VAL A 50 -6.609 7.883 2.818 1.00 0.00 C ATOM 763 O VAL A 50 -6.061 7.912 3.921 1.00 0.00 O ATOM 764 CB VAL A 50 -7.826 5.717 2.574 1.00 0.00 C ATOM 765 CG1 VAL A 50 -9.110 6.525 2.681 1.00 0.00 C ATOM 766 CG2 VAL A 50 -8.031 4.487 1.703 1.00 0.00 C ATOM 0 H VAL A 50 -4.981 5.822 2.968 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.892 6.822 0.972 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.551 5.384 3.575 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.905 5.893 3.077 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.952 7.372 3.349 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.394 6.890 1.694 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.841 3.883 2.111 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.285 4.797 0.689 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.114 3.898 1.683 1.00 0.00 H new ATOM 776 N HIS A 51 -7.164 8.953 2.258 1.00 0.00 N ATOM 777 CA HIS A 51 -7.161 10.252 2.921 1.00 0.00 C ATOM 778 C HIS A 51 -8.349 11.095 2.470 1.00 0.00 C ATOM 779 O HIS A 51 -8.828 10.959 1.345 1.00 0.00 O ATOM 780 CB HIS A 51 -5.855 10.993 2.631 1.00 0.00 C ATOM 781 CG HIS A 51 -5.548 12.075 3.621 1.00 0.00 C ATOM 782 ND1 HIS A 51 -5.525 12.056 4.974 1.00 0.00 N flip ATOM 783 CD2 HIS A 51 -5.218 13.361 3.251 1.00 0.00 C flip ATOM 784 CE1 HIS A 51 -5.183 13.318 5.393 1.00 0.00 C flip ATOM 785 NE2 HIS A 51 -5.002 14.087 4.334 1.00 0.00 N flip ATOM 0 H HIS A 51 -7.622 8.946 1.346 1.00 0.00 H new ATOM 0 HA HIS A 51 -7.244 10.084 3.995 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.034 10.276 2.622 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -5.908 11.429 1.633 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.147 13.719 2.235 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -5.079 13.631 6.421 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.740 15.073 4.350 1.00 0.00 H new ATOM 794 N GLY A 52 -8.821 11.967 3.356 1.00 0.00 N ATOM 795 CA GLY A 52 -9.950 12.819 3.031 1.00 0.00 C ATOM 796 C GLY A 52 -9.537 14.064 2.271 1.00 0.00 C ATOM 797 O GLY A 52 -10.053 14.339 1.188 1.00 0.00 O ATOM 0 H GLY A 52 -8.441 12.099 4.294 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.667 12.255 2.435 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.458 13.110 3.950 1.00 0.00 H new ATOM 801 N ASP A 53 -8.604 14.820 2.840 1.00 0.00 N ATOM 802 CA ASP A 53 -8.122 16.043 2.210 1.00 0.00 C ATOM 803 C ASP A 53 -9.286 16.881 1.689 1.00 0.00 C ATOM 804 O ASP A 53 -9.181 17.528 0.648 1.00 0.00 O ATOM 805 CB ASP A 53 -7.165 15.710 1.064 1.00 0.00 C ATOM 806 CG ASP A 53 -7.878 15.100 -0.127 1.00 0.00 C ATOM 807 OD1 ASP A 53 -8.446 15.866 -0.934 1.00 0.00 O ATOM 808 OD2 ASP A 53 -7.866 13.858 -0.253 1.00 0.00 O ATOM 0 H ASP A 53 -8.167 14.607 3.737 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.587 16.623 2.962 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.650 16.618 0.750 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.402 15.018 1.421 1.00 0.00 H new ATOM 813 N GLY A 54 -10.396 16.863 2.421 1.00 0.00 N ATOM 814 CA GLY A 54 -11.563 17.623 2.016 1.00 0.00 C ATOM 815 C GLY A 54 -12.854 16.851 2.208 1.00 0.00 C ATOM 816 O GLY A 54 -13.006 16.117 3.185 1.00 0.00 O ATOM 0 H GLY A 54 -10.507 16.336 3.287 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.608 18.548 2.591 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -11.464 17.904 0.967 1.00 0.00 H new ATOM 820 N HIS A 55 -13.786 17.018 1.276 1.00 0.00 N ATOM 821 CA HIS A 55 -15.071 16.331 1.348 1.00 0.00 C ATOM 822 C HIS A 55 -14.900 14.833 1.119 1.00 0.00 C ATOM 823 O HIS A 55 -13.872 14.387 0.609 1.00 0.00 O ATOM 824 CB HIS A 55 -16.041 16.910 0.317 1.00 0.00 C ATOM 825 CG HIS A 55 -16.745 18.146 0.784 1.00 0.00 C ATOM 826 ND1 HIS A 55 -18.045 18.143 1.244 1.00 0.00 N ATOM 827 CD2 HIS A 55 -16.322 19.429 0.863 1.00 0.00 C ATOM 828 CE1 HIS A 55 -18.392 19.372 1.583 1.00 0.00 C ATOM 829 NE2 HIS A 55 -17.364 20.171 1.363 1.00 0.00 N ATOM 0 H HIS A 55 -13.676 17.623 0.462 1.00 0.00 H new ATOM 0 HA HIS A 55 -15.481 16.483 2.346 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -15.493 17.138 -0.597 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -16.783 16.153 0.064 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -15.347 19.800 0.585 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -19.353 19.672 1.974 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -17.347 21.176 1.536 1.00 0.00 H new ATOM 838 N ALA A 56 -15.912 14.061 1.499 1.00 0.00 N ATOM 839 CA ALA A 56 -15.874 12.614 1.334 1.00 0.00 C ATOM 840 C ALA A 56 -16.024 12.225 -0.133 1.00 0.00 C ATOM 841 O ALA A 56 -15.262 11.406 -0.648 1.00 0.00 O ATOM 842 CB ALA A 56 -16.963 11.958 2.169 1.00 0.00 C ATOM 0 H ALA A 56 -16.769 14.414 1.924 1.00 0.00 H new ATOM 0 HA ALA A 56 -14.903 12.259 1.680 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -16.922 10.877 2.036 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -16.810 12.200 3.221 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -17.938 12.326 1.850 1.00 0.00 H new ATOM 848 N GLU A 57 -17.010 12.816 -0.800 1.00 0.00 N ATOM 849 CA GLU A 57 -17.259 12.529 -2.208 1.00 0.00 C ATOM 850 C GLU A 57 -16.004 12.768 -3.042 1.00 0.00 C ATOM 851 O GLU A 57 -15.921 12.340 -4.193 1.00 0.00 O ATOM 852 CB GLU A 57 -18.406 13.395 -2.732 1.00 0.00 C ATOM 853 CG GLU A 57 -17.982 14.804 -3.109 1.00 0.00 C ATOM 854 CD GLU A 57 -19.156 15.686 -3.486 1.00 0.00 C ATOM 855 OE1 GLU A 57 -19.732 16.326 -2.582 1.00 0.00 O ATOM 856 OE2 GLU A 57 -19.500 15.735 -4.686 1.00 0.00 O ATOM 0 H GLU A 57 -17.649 13.496 -0.388 1.00 0.00 H new ATOM 0 HA GLU A 57 -17.537 11.479 -2.295 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -18.846 12.911 -3.604 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -19.185 13.450 -1.972 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -17.448 15.255 -2.272 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -17.284 14.758 -3.945 1.00 0.00 H new ATOM 863 N ASN A 58 -15.030 13.454 -2.453 1.00 0.00 N ATOM 864 CA ASN A 58 -13.780 13.751 -3.141 1.00 0.00 C ATOM 865 C ASN A 58 -12.602 13.076 -2.445 1.00 0.00 C ATOM 866 O ASN A 58 -11.488 13.602 -2.435 1.00 0.00 O ATOM 867 CB ASN A 58 -13.553 15.263 -3.201 1.00 0.00 C ATOM 868 CG ASN A 58 -14.674 15.987 -3.922 1.00 0.00 C ATOM 869 OD1 ASN A 58 -15.707 16.366 -3.179 1.00 0.00 O flip ATOM 870 ND2 ASN A 58 -14.611 16.204 -5.132 1.00 0.00 N flip ATOM 0 H ASN A 58 -15.083 13.815 -1.500 1.00 0.00 H new ATOM 0 HA ASN A 58 -13.852 13.361 -4.156 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -13.463 15.655 -2.188 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -12.609 15.466 -3.706 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -13.798 15.895 -5.664 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -15.372 16.693 -5.603 1.00 0.00 H new ATOM 877 N LEU A 59 -12.855 11.909 -1.864 1.00 0.00 N ATOM 878 CA LEU A 59 -11.815 11.161 -1.165 1.00 0.00 C ATOM 879 C LEU A 59 -10.749 10.670 -2.140 1.00 0.00 C ATOM 880 O LEU A 59 -11.044 10.359 -3.294 1.00 0.00 O ATOM 881 CB LEU A 59 -12.428 9.973 -0.421 1.00 0.00 C ATOM 882 CG LEU A 59 -11.552 9.332 0.656 1.00 0.00 C ATOM 883 CD1 LEU A 59 -11.662 10.104 1.962 1.00 0.00 C ATOM 884 CD2 LEU A 59 -11.939 7.875 0.862 1.00 0.00 C ATOM 0 H LEU A 59 -13.771 11.460 -1.863 1.00 0.00 H new ATOM 0 HA LEU A 59 -11.342 11.829 -0.445 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -13.358 10.301 0.043 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -12.689 9.208 -1.152 1.00 0.00 H new ATOM 0 HG LEU A 59 -10.515 9.368 0.322 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -11.032 9.634 2.717 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -11.335 11.132 1.806 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -12.698 10.100 2.301 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -11.305 7.435 1.632 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -12.982 7.816 1.174 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -11.808 7.328 -0.072 1.00 0.00 H new ATOM 896 N VAL A 60 -9.509 10.602 -1.667 1.00 0.00 N ATOM 897 CA VAL A 60 -8.399 10.146 -2.495 1.00 0.00 C ATOM 898 C VAL A 60 -7.957 8.742 -2.098 1.00 0.00 C ATOM 899 O VAL A 60 -7.882 8.417 -0.913 1.00 0.00 O ATOM 900 CB VAL A 60 -7.194 11.100 -2.393 1.00 0.00 C ATOM 901 CG1 VAL A 60 -6.033 10.586 -3.231 1.00 0.00 C ATOM 902 CG2 VAL A 60 -7.589 12.505 -2.819 1.00 0.00 C ATOM 0 H VAL A 60 -9.248 10.857 -0.715 1.00 0.00 H new ATOM 0 HA VAL A 60 -8.757 10.133 -3.525 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.871 11.138 -1.353 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.191 11.273 -3.146 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.735 9.600 -2.874 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.340 10.516 -4.274 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.725 13.165 -2.741 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.940 12.487 -3.851 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.386 12.871 -2.171 1.00 0.00 H new ATOM 912 N GLN A 61 -7.666 7.915 -3.096 1.00 0.00 N ATOM 913 CA GLN A 61 -7.232 6.545 -2.850 1.00 0.00 C ATOM 914 C GLN A 61 -6.101 6.154 -3.796 1.00 0.00 C ATOM 915 O GLN A 61 -6.260 6.190 -5.017 1.00 0.00 O ATOM 916 CB GLN A 61 -8.406 5.578 -3.013 1.00 0.00 C ATOM 917 CG GLN A 61 -9.293 5.485 -1.781 1.00 0.00 C ATOM 918 CD GLN A 61 -10.293 4.349 -1.867 1.00 0.00 C ATOM 919 OE1 GLN A 61 -10.389 3.667 -2.887 1.00 0.00 O ATOM 920 NE2 GLN A 61 -11.044 4.139 -0.792 1.00 0.00 N ATOM 0 H GLN A 61 -7.723 8.169 -4.082 1.00 0.00 H new ATOM 0 HA GLN A 61 -6.862 6.487 -1.826 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.011 5.894 -3.863 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.019 4.586 -3.248 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -8.669 5.349 -0.898 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -9.828 6.426 -1.651 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -10.931 4.729 0.032 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -11.734 3.388 -0.791 1.00 0.00 H new ATOM 929 N TRP A 62 -4.962 5.780 -3.226 1.00 0.00 N ATOM 930 CA TRP A 62 -3.804 5.383 -4.019 1.00 0.00 C ATOM 931 C TRP A 62 -2.983 4.325 -3.291 1.00 0.00 C ATOM 932 O TRP A 62 -2.973 4.272 -2.062 1.00 0.00 O ATOM 933 CB TRP A 62 -2.931 6.600 -4.330 1.00 0.00 C ATOM 934 CG TRP A 62 -2.194 7.123 -3.135 1.00 0.00 C ATOM 935 CD1 TRP A 62 -0.847 7.074 -2.916 1.00 0.00 C ATOM 936 CD2 TRP A 62 -2.764 7.773 -1.993 1.00 0.00 C ATOM 937 NE1 TRP A 62 -0.546 7.653 -1.707 1.00 0.00 N ATOM 938 CE2 TRP A 62 -1.704 8.091 -1.122 1.00 0.00 C ATOM 939 CE3 TRP A 62 -4.067 8.118 -1.623 1.00 0.00 C ATOM 940 CZ2 TRP A 62 -1.909 8.736 0.094 1.00 0.00 C ATOM 941 CZ3 TRP A 62 -4.268 8.759 -0.415 1.00 0.00 C ATOM 942 CH2 TRP A 62 -3.194 9.063 0.431 1.00 0.00 C ATOM 0 H TRP A 62 -4.815 5.743 -2.217 1.00 0.00 H new ATOM 0 HA TRP A 62 -4.165 4.956 -4.955 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -2.211 6.334 -5.104 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -3.558 7.393 -4.737 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -0.125 6.643 -3.594 1.00 0.00 H new ATOM 0 HE1 TRP A 62 0.389 7.742 -1.309 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -4.901 7.888 -2.269 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -1.083 8.970 0.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -5.270 9.030 -0.118 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -3.384 9.565 1.368 1.00 0.00 H new ATOM 953 N GLU A 63 -2.295 3.485 -4.058 1.00 0.00 N ATOM 954 CA GLU A 63 -1.471 2.428 -3.484 1.00 0.00 C ATOM 955 C GLU A 63 0.005 2.818 -3.501 1.00 0.00 C ATOM 956 O GLU A 63 0.408 3.727 -4.226 1.00 0.00 O ATOM 957 CB GLU A 63 -1.673 1.119 -4.251 1.00 0.00 C ATOM 958 CG GLU A 63 -3.113 0.635 -4.260 1.00 0.00 C ATOM 959 CD GLU A 63 -3.231 -0.838 -4.599 1.00 0.00 C ATOM 960 OE1 GLU A 63 -2.486 -1.305 -5.486 1.00 0.00 O ATOM 961 OE2 GLU A 63 -4.069 -1.524 -3.977 1.00 0.00 O ATOM 0 H GLU A 63 -2.292 3.516 -5.078 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.779 2.285 -2.448 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.338 1.255 -5.279 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.042 0.348 -3.809 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.559 0.816 -3.282 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.684 1.217 -4.983 1.00 0.00 H new ATOM 968 N MET A 64 0.804 2.123 -2.698 1.00 0.00 N ATOM 969 CA MET A 64 2.234 2.396 -2.621 1.00 0.00 C ATOM 970 C MET A 64 3.023 1.109 -2.403 1.00 0.00 C ATOM 971 O MET A 64 2.938 0.492 -1.341 1.00 0.00 O ATOM 972 CB MET A 64 2.527 3.385 -1.491 1.00 0.00 C ATOM 973 CG MET A 64 2.080 4.806 -1.796 1.00 0.00 C ATOM 974 SD MET A 64 2.234 5.903 -0.374 1.00 0.00 S ATOM 975 CE MET A 64 3.949 5.641 0.071 1.00 0.00 C ATOM 0 H MET A 64 0.485 1.367 -2.092 1.00 0.00 H new ATOM 0 HA MET A 64 2.545 2.836 -3.569 1.00 0.00 H new ATOM 0 HB2 MET A 64 2.031 3.044 -0.583 1.00 0.00 H new ATOM 0 HB3 MET A 64 3.598 3.385 -1.288 1.00 0.00 H new ATOM 0 HG2 MET A 64 2.674 5.201 -2.620 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.042 4.793 -2.129 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.178 6.198 0.979 1.00 0.00 H new ATOM 0 HE2 MET A 64 4.122 4.579 0.243 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.592 5.987 -0.739 1.00 0.00 H new ATOM 985 N GLU A 65 3.788 0.709 -3.414 1.00 0.00 N ATOM 986 CA GLU A 65 4.590 -0.506 -3.331 1.00 0.00 C ATOM 987 C GLU A 65 6.075 -0.188 -3.478 1.00 0.00 C ATOM 988 O GLU A 65 6.452 0.778 -4.140 1.00 0.00 O ATOM 989 CB GLU A 65 4.160 -1.501 -4.410 1.00 0.00 C ATOM 990 CG GLU A 65 5.257 -2.471 -4.815 1.00 0.00 C ATOM 991 CD GLU A 65 4.802 -3.459 -5.871 1.00 0.00 C ATOM 992 OE1 GLU A 65 3.597 -3.783 -5.901 1.00 0.00 O ATOM 993 OE2 GLU A 65 5.653 -3.909 -6.668 1.00 0.00 O ATOM 0 H GLU A 65 3.869 1.208 -4.300 1.00 0.00 H new ATOM 0 HA GLU A 65 4.428 -0.953 -2.350 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.301 -2.067 -4.049 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.831 -0.949 -5.291 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.112 -1.910 -5.192 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.597 -3.017 -3.935 1.00 0.00 H new ATOM 1000 N VAL A 66 6.914 -1.010 -2.855 1.00 0.00 N ATOM 1001 CA VAL A 66 8.358 -0.819 -2.916 1.00 0.00 C ATOM 1002 C VAL A 66 9.000 -1.789 -3.901 1.00 0.00 C ATOM 1003 O VAL A 66 9.111 -2.985 -3.627 1.00 0.00 O ATOM 1004 CB VAL A 66 9.008 -1.004 -1.532 1.00 0.00 C ATOM 1005 CG1 VAL A 66 10.524 -0.956 -1.643 1.00 0.00 C ATOM 1006 CG2 VAL A 66 8.503 0.052 -0.561 1.00 0.00 C ATOM 0 H VAL A 66 6.618 -1.815 -2.302 1.00 0.00 H new ATOM 0 HA VAL A 66 8.528 0.203 -3.255 1.00 0.00 H new ATOM 0 HB VAL A 66 8.727 -1.984 -1.146 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.966 -1.088 -0.655 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.866 -1.753 -2.303 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.829 0.008 -2.050 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.973 -0.094 0.412 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.752 1.043 -0.939 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.421 -0.036 -0.458 1.00 0.00 H new ATOM 1016 N CYS A 67 9.421 -1.268 -5.048 1.00 0.00 N ATOM 1017 CA CYS A 67 10.053 -2.089 -6.075 1.00 0.00 C ATOM 1018 C CYS A 67 11.421 -1.530 -6.452 1.00 0.00 C ATOM 1019 O CYS A 67 11.775 -0.415 -6.070 1.00 0.00 O ATOM 1020 CB CYS A 67 9.160 -2.166 -7.315 1.00 0.00 C ATOM 1021 SG CYS A 67 9.374 -3.677 -8.285 1.00 0.00 S ATOM 0 H CYS A 67 9.336 -0.281 -5.290 1.00 0.00 H new ATOM 0 HA CYS A 67 10.190 -3.092 -5.671 1.00 0.00 H new ATOM 0 HB2 CYS A 67 8.118 -2.091 -7.004 1.00 0.00 H new ATOM 0 HB3 CYS A 67 9.366 -1.306 -7.952 1.00 0.00 H new ATOM 0 HG CYS A 67 8.576 -3.651 -9.311 1.00 0.00 H new ATOM 1027 N LYS A 68 12.187 -2.314 -7.203 1.00 0.00 N ATOM 1028 CA LYS A 68 13.518 -1.900 -7.632 1.00 0.00 C ATOM 1029 C LYS A 68 13.505 -1.455 -9.091 1.00 0.00 C ATOM 1030 O LYS A 68 13.080 -2.200 -9.974 1.00 0.00 O ATOM 1031 CB LYS A 68 14.516 -3.046 -7.446 1.00 0.00 C ATOM 1032 CG LYS A 68 15.945 -2.669 -7.795 1.00 0.00 C ATOM 1033 CD LYS A 68 16.944 -3.616 -7.151 1.00 0.00 C ATOM 1034 CE LYS A 68 17.361 -3.134 -5.770 1.00 0.00 C ATOM 1035 NZ LYS A 68 17.899 -4.242 -4.934 1.00 0.00 N ATOM 0 H LYS A 68 11.909 -3.240 -7.527 1.00 0.00 H new ATOM 0 HA LYS A 68 13.825 -1.055 -7.015 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.481 -3.383 -6.410 1.00 0.00 H new ATOM 0 HB3 LYS A 68 14.209 -3.888 -8.066 1.00 0.00 H new ATOM 0 HG2 LYS A 68 16.073 -2.685 -8.877 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.144 -1.649 -7.466 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.505 -4.611 -7.073 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.824 -3.705 -7.787 1.00 0.00 H new ATOM 0 HE2 LYS A 68 18.117 -2.355 -5.870 1.00 0.00 H new ATOM 0 HE3 LYS A 68 16.504 -2.684 -5.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 18.172 -3.872 -4.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 17.170 -4.974 -4.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 18.732 -4.655 -5.400 1.00 0.00 H new ATOM 1049 N LEU A 69 13.974 -0.236 -9.337 1.00 0.00 N ATOM 1050 CA LEU A 69 14.017 0.308 -10.689 1.00 0.00 C ATOM 1051 C LEU A 69 14.808 -0.607 -11.619 1.00 0.00 C ATOM 1052 O LEU A 69 15.854 -1.145 -11.258 1.00 0.00 O ATOM 1053 CB LEU A 69 14.641 1.705 -10.678 1.00 0.00 C ATOM 1054 CG LEU A 69 13.986 2.725 -9.746 1.00 0.00 C ATOM 1055 CD1 LEU A 69 14.866 3.957 -9.600 1.00 0.00 C ATOM 1056 CD2 LEU A 69 12.607 3.110 -10.261 1.00 0.00 C ATOM 0 H LEU A 69 14.330 0.394 -8.618 1.00 0.00 H new ATOM 0 HA LEU A 69 12.994 0.376 -11.060 1.00 0.00 H new ATOM 0 HB2 LEU A 69 15.691 1.610 -10.400 1.00 0.00 H new ATOM 0 HB3 LEU A 69 14.615 2.101 -11.693 1.00 0.00 H new ATOM 0 HG LEU A 69 13.870 2.268 -8.763 1.00 0.00 H new ATOM 0 HD11 LEU A 69 14.384 4.672 -8.933 1.00 0.00 H new ATOM 0 HD12 LEU A 69 15.831 3.668 -9.185 1.00 0.00 H new ATOM 0 HD13 LEU A 69 15.015 4.416 -10.577 1.00 0.00 H new ATOM 0 HD21 LEU A 69 12.156 3.837 -9.585 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.699 3.547 -11.255 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.977 2.222 -10.312 1.00 0.00 H new ATOM 1068 N PRO A 70 14.298 -0.786 -12.847 1.00 0.00 N ATOM 1069 CA PRO A 70 14.942 -1.633 -13.855 1.00 0.00 C ATOM 1070 C PRO A 70 16.242 -1.029 -14.376 1.00 0.00 C ATOM 1071 O PRO A 70 17.279 -1.691 -14.401 1.00 0.00 O ATOM 1072 CB PRO A 70 13.900 -1.707 -14.974 1.00 0.00 C ATOM 1073 CG PRO A 70 13.091 -0.466 -14.820 1.00 0.00 C ATOM 1074 CD PRO A 70 13.055 -0.175 -13.346 1.00 0.00 C ATOM 0 HA PRO A 70 15.223 -2.605 -13.451 1.00 0.00 H new ATOM 0 HB2 PRO A 70 14.374 -1.751 -15.954 1.00 0.00 H new ATOM 0 HB3 PRO A 70 13.280 -2.598 -14.879 1.00 0.00 H new ATOM 0 HG2 PRO A 70 13.538 0.362 -15.370 1.00 0.00 H new ATOM 0 HG3 PRO A 70 12.085 -0.605 -15.215 1.00 0.00 H new ATOM 0 HD2 PRO A 70 13.027 0.897 -13.149 1.00 0.00 H new ATOM 0 HD3 PRO A 70 12.175 -0.610 -12.872 1.00 0.00 H new ATOM 1082 N ARG A 71 16.178 0.233 -14.790 1.00 0.00 N ATOM 1083 CA ARG A 71 17.350 0.926 -15.311 1.00 0.00 C ATOM 1084 C ARG A 71 18.396 1.122 -14.217 1.00 0.00 C ATOM 1085 O ARG A 71 19.587 0.893 -14.434 1.00 0.00 O ATOM 1086 CB ARG A 71 16.949 2.280 -15.898 1.00 0.00 C ATOM 1087 CG ARG A 71 16.511 2.209 -17.351 1.00 0.00 C ATOM 1088 CD ARG A 71 15.079 1.716 -17.478 1.00 0.00 C ATOM 1089 NE ARG A 71 14.742 1.359 -18.854 1.00 0.00 N ATOM 1090 CZ ARG A 71 15.029 0.182 -19.399 1.00 0.00 C ATOM 1091 NH1 ARG A 71 15.654 -0.747 -18.688 1.00 0.00 N ATOM 1092 NH2 ARG A 71 14.690 -0.068 -20.657 1.00 0.00 N ATOM 0 H ARG A 71 15.327 0.796 -14.775 1.00 0.00 H new ATOM 0 HA ARG A 71 17.785 0.311 -16.099 1.00 0.00 H new ATOM 0 HB2 ARG A 71 16.137 2.698 -15.303 1.00 0.00 H new ATOM 0 HB3 ARG A 71 17.792 2.966 -15.815 1.00 0.00 H new ATOM 0 HG2 ARG A 71 16.599 3.195 -17.807 1.00 0.00 H new ATOM 0 HG3 ARG A 71 17.176 1.543 -17.900 1.00 0.00 H new ATOM 0 HD2 ARG A 71 14.936 0.849 -16.833 1.00 0.00 H new ATOM 0 HD3 ARG A 71 14.397 2.490 -17.127 1.00 0.00 H new ATOM 0 HE ARG A 71 14.260 2.051 -19.428 1.00 0.00 H new ATOM 0 HH11 ARG A 71 15.915 -0.559 -17.720 1.00 0.00 H new ATOM 0 HH12 ARG A 71 15.873 -1.650 -19.109 1.00 0.00 H new ATOM 0 HH21 ARG A 71 14.209 0.644 -21.207 1.00 0.00 H new ATOM 0 HH22 ARG A 71 14.911 -0.972 -21.075 1.00 0.00 H new ATOM 1106 N LEU A 72 17.944 1.550 -13.044 1.00 0.00 N ATOM 1107 CA LEU A 72 18.840 1.778 -11.916 1.00 0.00 C ATOM 1108 C LEU A 72 18.845 0.579 -10.972 1.00 0.00 C ATOM 1109 O LEU A 72 18.168 -0.419 -11.218 1.00 0.00 O ATOM 1110 CB LEU A 72 18.424 3.038 -11.155 1.00 0.00 C ATOM 1111 CG LEU A 72 18.234 4.299 -11.999 1.00 0.00 C ATOM 1112 CD1 LEU A 72 17.389 5.320 -11.252 1.00 0.00 C ATOM 1113 CD2 LEU A 72 19.582 4.895 -12.378 1.00 0.00 C ATOM 0 H LEU A 72 16.962 1.746 -12.849 1.00 0.00 H new ATOM 0 HA LEU A 72 19.848 1.913 -12.307 1.00 0.00 H new ATOM 0 HB2 LEU A 72 17.490 2.831 -10.632 1.00 0.00 H new ATOM 0 HB3 LEU A 72 19.177 3.244 -10.394 1.00 0.00 H new ATOM 0 HG LEU A 72 17.710 4.024 -12.914 1.00 0.00 H new ATOM 0 HD11 LEU A 72 17.265 6.210 -11.868 1.00 0.00 H new ATOM 0 HD12 LEU A 72 16.411 4.892 -11.032 1.00 0.00 H new ATOM 0 HD13 LEU A 72 17.885 5.590 -10.320 1.00 0.00 H new ATOM 0 HD21 LEU A 72 19.428 5.792 -12.978 1.00 0.00 H new ATOM 0 HD22 LEU A 72 20.132 5.154 -11.474 1.00 0.00 H new ATOM 0 HD23 LEU A 72 20.153 4.167 -12.954 1.00 0.00 H new ATOM 1125 N SER A 73 19.610 0.687 -9.891 1.00 0.00 N ATOM 1126 CA SER A 73 19.704 -0.389 -8.911 1.00 0.00 C ATOM 1127 C SER A 73 19.151 0.057 -7.561 1.00 0.00 C ATOM 1128 O SER A 73 19.512 -0.491 -6.518 1.00 0.00 O ATOM 1129 CB SER A 73 21.158 -0.841 -8.756 1.00 0.00 C ATOM 1130 OG SER A 73 21.304 -1.721 -7.655 1.00 0.00 O ATOM 0 H SER A 73 20.174 1.508 -9.671 1.00 0.00 H new ATOM 0 HA SER A 73 19.107 -1.228 -9.270 1.00 0.00 H new ATOM 0 HB2 SER A 73 21.487 -1.338 -9.669 1.00 0.00 H new ATOM 0 HB3 SER A 73 21.800 0.029 -8.618 1.00 0.00 H new ATOM 0 HG SER A 73 21.054 -1.256 -6.829 1.00 0.00 H new ATOM 1136 N LEU A 74 18.274 1.053 -7.588 1.00 0.00 N ATOM 1137 CA LEU A 74 17.669 1.574 -6.367 1.00 0.00 C ATOM 1138 C LEU A 74 16.208 1.150 -6.258 1.00 0.00 C ATOM 1139 O LEU A 74 15.684 0.465 -7.136 1.00 0.00 O ATOM 1140 CB LEU A 74 17.773 3.100 -6.333 1.00 0.00 C ATOM 1141 CG LEU A 74 19.171 3.673 -6.102 1.00 0.00 C ATOM 1142 CD1 LEU A 74 19.212 5.147 -6.472 1.00 0.00 C ATOM 1143 CD2 LEU A 74 19.598 3.472 -4.656 1.00 0.00 C ATOM 0 H LEU A 74 17.965 1.517 -8.442 1.00 0.00 H new ATOM 0 HA LEU A 74 18.212 1.160 -5.518 1.00 0.00 H new ATOM 0 HB2 LEU A 74 17.394 3.491 -7.277 1.00 0.00 H new ATOM 0 HB3 LEU A 74 17.116 3.471 -5.547 1.00 0.00 H new ATOM 0 HG LEU A 74 19.872 3.139 -6.744 1.00 0.00 H new ATOM 0 HD11 LEU A 74 20.215 5.537 -6.301 1.00 0.00 H new ATOM 0 HD12 LEU A 74 18.951 5.266 -7.524 1.00 0.00 H new ATOM 0 HD13 LEU A 74 18.499 5.696 -5.857 1.00 0.00 H new ATOM 0 HD21 LEU A 74 20.596 3.886 -4.510 1.00 0.00 H new ATOM 0 HD22 LEU A 74 18.895 3.979 -3.995 1.00 0.00 H new ATOM 0 HD23 LEU A 74 19.610 2.407 -4.425 1.00 0.00 H new ATOM 1155 N ASN A 75 15.556 1.563 -5.177 1.00 0.00 N ATOM 1156 CA ASN A 75 14.154 1.227 -4.954 1.00 0.00 C ATOM 1157 C ASN A 75 13.282 2.478 -4.992 1.00 0.00 C ATOM 1158 O ASN A 75 13.646 3.518 -4.445 1.00 0.00 O ATOM 1159 CB ASN A 75 13.986 0.515 -3.610 1.00 0.00 C ATOM 1160 CG ASN A 75 14.851 -0.726 -3.501 1.00 0.00 C ATOM 1161 OD1 ASN A 75 15.992 -0.743 -3.962 1.00 0.00 O ATOM 1162 ND2 ASN A 75 14.310 -1.772 -2.888 1.00 0.00 N ATOM 0 H ASN A 75 15.976 2.131 -4.441 1.00 0.00 H new ATOM 0 HA ASN A 75 13.835 0.559 -5.754 1.00 0.00 H new ATOM 0 HB2 ASN A 75 14.239 1.203 -2.803 1.00 0.00 H new ATOM 0 HB3 ASN A 75 12.940 0.238 -3.477 1.00 0.00 H new ATOM 0 HD21 ASN A 75 14.844 -2.635 -2.784 1.00 0.00 H new ATOM 0 HD22 ASN A 75 13.360 -1.713 -2.521 1.00 0.00 H new ATOM 1169 N GLY A 76 12.127 2.369 -5.642 1.00 0.00 N ATOM 1170 CA GLY A 76 11.221 3.498 -5.739 1.00 0.00 C ATOM 1171 C GLY A 76 9.785 3.117 -5.435 1.00 0.00 C ATOM 1172 O GLY A 76 9.314 2.059 -5.852 1.00 0.00 O ATOM 0 H GLY A 76 11.803 1.519 -6.103 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.541 4.277 -5.047 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.277 3.920 -6.743 1.00 0.00 H new ATOM 1176 N VAL A 77 9.088 3.980 -4.703 1.00 0.00 N ATOM 1177 CA VAL A 77 7.698 3.729 -4.342 1.00 0.00 C ATOM 1178 C VAL A 77 6.753 4.175 -5.452 1.00 0.00 C ATOM 1179 O VAL A 77 6.677 5.359 -5.778 1.00 0.00 O ATOM 1180 CB VAL A 77 7.317 4.453 -3.036 1.00 0.00 C ATOM 1181 CG1 VAL A 77 5.881 4.135 -2.649 1.00 0.00 C ATOM 1182 CG2 VAL A 77 8.277 4.074 -1.918 1.00 0.00 C ATOM 0 H VAL A 77 9.463 4.860 -4.348 1.00 0.00 H new ATOM 0 HA VAL A 77 7.599 2.654 -4.194 1.00 0.00 H new ATOM 0 HB VAL A 77 7.394 5.528 -3.200 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.630 4.655 -1.725 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.209 4.461 -3.443 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.773 3.060 -2.502 1.00 0.00 H new ATOM 0 HG21 VAL A 77 7.993 4.594 -1.003 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.235 2.998 -1.751 1.00 0.00 H new ATOM 0 HG23 VAL A 77 9.291 4.358 -2.198 1.00 0.00 H new ATOM 1192 N ARG A 78 6.033 3.217 -6.028 1.00 0.00 N ATOM 1193 CA ARG A 78 5.093 3.511 -7.103 1.00 0.00 C ATOM 1194 C ARG A 78 3.744 3.950 -6.540 1.00 0.00 C ATOM 1195 O ARG A 78 3.238 3.363 -5.583 1.00 0.00 O ATOM 1196 CB ARG A 78 4.909 2.284 -7.998 1.00 0.00 C ATOM 1197 CG ARG A 78 3.857 1.312 -7.490 1.00 0.00 C ATOM 1198 CD ARG A 78 4.091 -0.092 -8.026 1.00 0.00 C ATOM 1199 NE ARG A 78 2.899 -0.927 -7.910 1.00 0.00 N ATOM 1200 CZ ARG A 78 2.831 -2.177 -8.355 1.00 0.00 C ATOM 1201 NH1 ARG A 78 3.882 -2.733 -8.942 1.00 0.00 N ATOM 1202 NH2 ARG A 78 1.711 -2.874 -8.213 1.00 0.00 N ATOM 0 H ARG A 78 6.083 2.232 -5.768 1.00 0.00 H new ATOM 0 HA ARG A 78 5.503 4.328 -7.697 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.633 2.614 -9.000 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.862 1.762 -8.085 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.873 1.294 -6.400 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.867 1.657 -7.789 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.394 -0.035 -9.072 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.913 -0.556 -7.481 1.00 0.00 H new ATOM 0 HE ARG A 78 2.073 -0.529 -7.463 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.745 -2.201 -9.053 1.00 0.00 H new ATOM 0 HH12 ARG A 78 3.827 -3.693 -9.283 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.900 -2.450 -7.762 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.661 -3.834 -8.555 1.00 0.00 H new ATOM 1216 N PHE A 79 3.167 4.986 -7.139 1.00 0.00 N ATOM 1217 CA PHE A 79 1.878 5.505 -6.697 1.00 0.00 C ATOM 1218 C PHE A 79 0.798 5.241 -7.742 1.00 0.00 C ATOM 1219 O PHE A 79 0.842 5.781 -8.848 1.00 0.00 O ATOM 1220 CB PHE A 79 1.977 7.006 -6.418 1.00 0.00 C ATOM 1221 CG PHE A 79 2.748 7.334 -5.172 1.00 0.00 C ATOM 1222 CD1 PHE A 79 4.040 6.864 -4.996 1.00 0.00 C ATOM 1223 CD2 PHE A 79 2.182 8.114 -4.176 1.00 0.00 C ATOM 1224 CE1 PHE A 79 4.751 7.164 -3.850 1.00 0.00 C ATOM 1225 CE2 PHE A 79 2.889 8.418 -3.028 1.00 0.00 C ATOM 1226 CZ PHE A 79 4.176 7.943 -2.865 1.00 0.00 C ATOM 0 H PHE A 79 3.572 5.483 -7.932 1.00 0.00 H new ATOM 0 HA PHE A 79 1.603 4.989 -5.777 1.00 0.00 H new ATOM 0 HB2 PHE A 79 2.452 7.495 -7.269 1.00 0.00 H new ATOM 0 HB3 PHE A 79 0.972 7.419 -6.333 1.00 0.00 H new ATOM 0 HD1 PHE A 79 4.496 6.256 -5.763 1.00 0.00 H new ATOM 0 HD2 PHE A 79 1.177 8.489 -4.298 1.00 0.00 H new ATOM 0 HE1 PHE A 79 5.756 6.789 -3.724 1.00 0.00 H new ATOM 0 HE2 PHE A 79 2.436 9.026 -2.259 1.00 0.00 H new ATOM 0 HZ PHE A 79 4.731 8.180 -1.970 1.00 0.00 H new ATOM 1236 N LYS A 80 -0.171 4.405 -7.385 1.00 0.00 N ATOM 1237 CA LYS A 80 -1.264 4.068 -8.289 1.00 0.00 C ATOM 1238 C LYS A 80 -2.517 4.869 -7.951 1.00 0.00 C ATOM 1239 O LYS A 80 -3.034 4.790 -6.836 1.00 0.00 O ATOM 1240 CB LYS A 80 -1.569 2.570 -8.217 1.00 0.00 C ATOM 1241 CG LYS A 80 -2.126 2.000 -9.510 1.00 0.00 C ATOM 1242 CD LYS A 80 -1.785 0.527 -9.663 1.00 0.00 C ATOM 1243 CE LYS A 80 -2.506 -0.091 -10.851 1.00 0.00 C ATOM 1244 NZ LYS A 80 -2.535 -1.578 -10.770 1.00 0.00 N ATOM 0 H LYS A 80 -0.221 3.948 -6.475 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.955 4.322 -9.303 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.656 2.034 -7.957 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.283 2.391 -7.413 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.208 2.128 -9.528 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -1.725 2.557 -10.357 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -0.708 0.413 -9.790 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.057 -0.007 -8.753 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.526 0.290 -10.895 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.012 0.213 -11.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.035 -1.961 -11.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.562 -1.944 -10.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.029 -1.869 -9.902 1.00 0.00 H new ATOM 1258 N ARG A 81 -3.001 5.639 -8.920 1.00 0.00 N ATOM 1259 CA ARG A 81 -4.193 6.455 -8.725 1.00 0.00 C ATOM 1260 C ARG A 81 -5.458 5.615 -8.882 1.00 0.00 C ATOM 1261 O ARG A 81 -5.834 5.245 -9.995 1.00 0.00 O ATOM 1262 CB ARG A 81 -4.212 7.616 -9.720 1.00 0.00 C ATOM 1263 CG ARG A 81 -5.425 8.520 -9.578 1.00 0.00 C ATOM 1264 CD ARG A 81 -5.360 9.694 -10.542 1.00 0.00 C ATOM 1265 NE ARG A 81 -5.453 9.265 -11.935 1.00 0.00 N ATOM 1266 CZ ARG A 81 -5.628 10.102 -12.952 1.00 0.00 C ATOM 1267 NH1 ARG A 81 -5.728 11.405 -12.733 1.00 0.00 N ATOM 1268 NH2 ARG A 81 -5.703 9.635 -14.192 1.00 0.00 N ATOM 0 H ARG A 81 -2.586 5.715 -9.848 1.00 0.00 H new ATOM 0 HA ARG A 81 -4.166 6.856 -7.712 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.308 8.211 -9.588 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -4.185 7.215 -10.733 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -6.332 7.945 -9.764 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.486 8.891 -8.555 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.170 10.389 -10.322 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -4.426 10.235 -10.391 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.380 8.268 -12.138 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.671 11.768 -11.782 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -5.862 12.045 -13.516 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -5.626 8.633 -14.365 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -5.837 10.278 -14.972 1.00 0.00 H new ATOM 1282 N ILE A 82 -6.108 5.318 -7.762 1.00 0.00 N ATOM 1283 CA ILE A 82 -7.330 4.523 -7.777 1.00 0.00 C ATOM 1284 C ILE A 82 -8.531 5.368 -8.188 1.00 0.00 C ATOM 1285 O ILE A 82 -9.103 5.173 -9.260 1.00 0.00 O ATOM 1286 CB ILE A 82 -7.607 3.892 -6.400 1.00 0.00 C ATOM 1287 CG1 ILE A 82 -6.405 3.063 -5.943 1.00 0.00 C ATOM 1288 CG2 ILE A 82 -8.861 3.033 -6.454 1.00 0.00 C ATOM 1289 CD1 ILE A 82 -6.005 1.986 -6.927 1.00 0.00 C ATOM 0 H ILE A 82 -5.809 5.616 -6.833 1.00 0.00 H new ATOM 0 HA ILE A 82 -7.181 3.729 -8.508 1.00 0.00 H new ATOM 0 HB ILE A 82 -7.769 4.691 -5.676 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.557 3.728 -5.779 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -6.637 2.600 -4.984 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -9.044 2.594 -5.473 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -9.713 3.650 -6.740 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -8.726 2.238 -7.188 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -5.147 1.438 -6.538 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.838 1.299 -7.073 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.741 2.444 -7.880 1.00 0.00 H new ATOM 1301 N SER A 83 -8.907 6.310 -7.328 1.00 0.00 N ATOM 1302 CA SER A 83 -10.041 7.185 -7.600 1.00 0.00 C ATOM 1303 C SER A 83 -9.693 8.638 -7.293 1.00 0.00 C ATOM 1304 O SER A 83 -8.628 8.932 -6.753 1.00 0.00 O ATOM 1305 CB SER A 83 -11.255 6.753 -6.774 1.00 0.00 C ATOM 1306 OG SER A 83 -11.574 5.393 -7.009 1.00 0.00 O ATOM 0 H SER A 83 -8.443 6.486 -6.437 1.00 0.00 H new ATOM 0 HA SER A 83 -10.284 7.105 -8.660 1.00 0.00 H new ATOM 0 HB2 SER A 83 -11.050 6.904 -5.714 1.00 0.00 H new ATOM 0 HB3 SER A 83 -12.111 7.379 -7.025 1.00 0.00 H new ATOM 0 HG SER A 83 -12.352 5.141 -6.469 1.00 0.00 H new ATOM 1312 N GLY A 84 -10.601 9.544 -7.641 1.00 0.00 N ATOM 1313 CA GLY A 84 -10.373 10.956 -7.396 1.00 0.00 C ATOM 1314 C GLY A 84 -9.615 11.626 -8.525 1.00 0.00 C ATOM 1315 O GLY A 84 -8.702 11.038 -9.106 1.00 0.00 O ATOM 0 H GLY A 84 -11.491 9.325 -8.089 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -11.331 11.457 -7.259 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.815 11.075 -6.467 1.00 0.00 H new ATOM 1319 N THR A 85 -9.994 12.861 -8.839 1.00 0.00 N ATOM 1320 CA THR A 85 -9.347 13.610 -9.908 1.00 0.00 C ATOM 1321 C THR A 85 -7.846 13.727 -9.667 1.00 0.00 C ATOM 1322 O THR A 85 -7.324 13.210 -8.679 1.00 0.00 O ATOM 1323 CB THR A 85 -9.944 15.023 -10.045 1.00 0.00 C ATOM 1324 OG1 THR A 85 -9.219 15.769 -11.030 1.00 0.00 O ATOM 1325 CG2 THR A 85 -9.905 15.759 -8.715 1.00 0.00 C ATOM 0 H THR A 85 -10.746 13.363 -8.368 1.00 0.00 H new ATOM 0 HA THR A 85 -9.523 13.058 -10.831 1.00 0.00 H new ATOM 0 HB THR A 85 -10.984 14.924 -10.357 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.606 16.665 -11.112 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.332 16.754 -8.837 1.00 0.00 H new ATOM 0 HG22 THR A 85 -10.483 15.205 -7.975 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.872 15.846 -8.378 1.00 0.00 H new ATOM 1333 N SER A 86 -7.156 14.410 -10.575 1.00 0.00 N ATOM 1334 CA SER A 86 -5.714 14.592 -10.461 1.00 0.00 C ATOM 1335 C SER A 86 -5.385 15.775 -9.556 1.00 0.00 C ATOM 1336 O SER A 86 -4.271 15.887 -9.043 1.00 0.00 O ATOM 1337 CB SER A 86 -5.096 14.806 -11.844 1.00 0.00 C ATOM 1338 OG SER A 86 -3.684 14.687 -11.796 1.00 0.00 O ATOM 0 H SER A 86 -7.572 14.846 -11.398 1.00 0.00 H new ATOM 0 HA SER A 86 -5.293 13.690 -10.017 1.00 0.00 H new ATOM 0 HB2 SER A 86 -5.502 14.076 -12.544 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.368 15.793 -12.219 1.00 0.00 H new ATOM 0 HG SER A 86 -3.313 14.826 -12.692 1.00 0.00 H new ATOM 1344 N ILE A 87 -6.362 16.655 -9.364 1.00 0.00 N ATOM 1345 CA ILE A 87 -6.178 17.829 -8.520 1.00 0.00 C ATOM 1346 C ILE A 87 -5.987 17.432 -7.060 1.00 0.00 C ATOM 1347 O ILE A 87 -4.946 17.704 -6.464 1.00 0.00 O ATOM 1348 CB ILE A 87 -7.375 18.792 -8.627 1.00 0.00 C ATOM 1349 CG1 ILE A 87 -7.432 19.417 -10.022 1.00 0.00 C ATOM 1350 CG2 ILE A 87 -7.281 19.873 -7.560 1.00 0.00 C ATOM 1351 CD1 ILE A 87 -8.651 20.284 -10.246 1.00 0.00 C ATOM 0 H ILE A 87 -7.289 16.577 -9.782 1.00 0.00 H new ATOM 0 HA ILE A 87 -5.281 18.336 -8.876 1.00 0.00 H new ATOM 0 HB ILE A 87 -8.293 18.227 -8.465 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -6.536 20.017 -10.180 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -7.419 18.622 -10.768 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -8.134 20.546 -7.648 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -7.284 19.411 -6.573 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -6.358 20.437 -7.694 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -8.625 20.694 -11.256 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -9.552 19.684 -10.121 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.655 21.100 -9.523 1.00 0.00 H new ATOM 1363 N ALA A 88 -6.999 16.786 -6.492 1.00 0.00 N ATOM 1364 CA ALA A 88 -6.942 16.348 -5.103 1.00 0.00 C ATOM 1365 C ALA A 88 -5.981 15.175 -4.936 1.00 0.00 C ATOM 1366 O ALA A 88 -5.365 15.009 -3.884 1.00 0.00 O ATOM 1367 CB ALA A 88 -8.331 15.968 -4.611 1.00 0.00 C ATOM 0 H ALA A 88 -7.869 16.554 -6.972 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.570 17.178 -4.502 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.273 15.643 -3.572 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.992 16.832 -4.684 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.725 15.157 -5.223 1.00 0.00 H new ATOM 1373 N PHE A 89 -5.860 14.363 -5.981 1.00 0.00 N ATOM 1374 CA PHE A 89 -4.975 13.204 -5.950 1.00 0.00 C ATOM 1375 C PHE A 89 -3.527 13.631 -5.729 1.00 0.00 C ATOM 1376 O PHE A 89 -2.799 13.019 -4.947 1.00 0.00 O ATOM 1377 CB PHE A 89 -5.092 12.412 -7.253 1.00 0.00 C ATOM 1378 CG PHE A 89 -3.937 11.481 -7.495 1.00 0.00 C ATOM 1379 CD1 PHE A 89 -3.648 10.467 -6.596 1.00 0.00 C ATOM 1380 CD2 PHE A 89 -3.141 11.622 -8.620 1.00 0.00 C ATOM 1381 CE1 PHE A 89 -2.587 9.609 -6.816 1.00 0.00 C ATOM 1382 CE2 PHE A 89 -2.079 10.767 -8.845 1.00 0.00 C ATOM 1383 CZ PHE A 89 -1.801 9.760 -7.941 1.00 0.00 C ATOM 0 H PHE A 89 -6.363 14.486 -6.860 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.279 12.568 -5.118 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.016 11.835 -7.236 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.167 13.109 -8.087 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.259 10.346 -5.713 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.353 12.409 -9.329 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.373 8.821 -6.109 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.467 10.886 -9.727 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.970 9.092 -8.114 1.00 0.00 H new ATOM 1393 N LYS A 90 -3.115 14.686 -6.424 1.00 0.00 N ATOM 1394 CA LYS A 90 -1.755 15.197 -6.306 1.00 0.00 C ATOM 1395 C LYS A 90 -1.556 15.912 -4.973 1.00 0.00 C ATOM 1396 O LYS A 90 -0.518 15.767 -4.329 1.00 0.00 O ATOM 1397 CB LYS A 90 -1.444 16.153 -7.460 1.00 0.00 C ATOM 1398 CG LYS A 90 0.012 16.580 -7.522 1.00 0.00 C ATOM 1399 CD LYS A 90 0.161 17.967 -8.123 1.00 0.00 C ATOM 1400 CE LYS A 90 -0.281 17.995 -9.578 1.00 0.00 C ATOM 1401 NZ LYS A 90 0.230 19.198 -10.290 1.00 0.00 N ATOM 0 H LYS A 90 -3.705 15.204 -7.076 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.071 14.349 -6.350 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.713 15.673 -8.401 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.070 17.040 -7.364 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.438 16.569 -6.519 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.578 15.862 -8.116 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.431 18.679 -7.548 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.201 18.286 -8.051 1.00 0.00 H new ATOM 0 HE2 LYS A 90 0.074 17.096 -10.083 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.370 17.979 -9.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.093 19.180 -11.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -0.129 20.056 -9.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.270 19.200 -10.266 1.00 0.00 H new ATOM 1415 N ASN A 91 -2.560 16.682 -4.565 1.00 0.00 N ATOM 1416 CA ASN A 91 -2.495 17.419 -3.308 1.00 0.00 C ATOM 1417 C ASN A 91 -1.818 16.586 -2.223 1.00 0.00 C ATOM 1418 O ASN A 91 -0.824 17.009 -1.633 1.00 0.00 O ATOM 1419 CB ASN A 91 -3.901 17.820 -2.855 1.00 0.00 C ATOM 1420 CG ASN A 91 -4.463 18.971 -3.667 1.00 0.00 C ATOM 1421 OD1 ASN A 91 -3.766 19.564 -4.490 1.00 0.00 O ATOM 1422 ND2 ASN A 91 -5.731 19.292 -3.438 1.00 0.00 N ATOM 0 H ASN A 91 -3.427 16.812 -5.086 1.00 0.00 H new ATOM 0 HA ASN A 91 -1.903 18.319 -3.473 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.566 16.960 -2.939 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -3.874 18.100 -1.802 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -6.164 20.058 -3.954 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -6.272 18.773 -2.746 1.00 0.00 H new ATOM 1429 N ILE A 92 -2.363 15.402 -1.968 1.00 0.00 N ATOM 1430 CA ILE A 92 -1.810 14.509 -0.957 1.00 0.00 C ATOM 1431 C ILE A 92 -0.544 13.825 -1.460 1.00 0.00 C ATOM 1432 O ILE A 92 0.357 13.513 -0.682 1.00 0.00 O ATOM 1433 CB ILE A 92 -2.830 13.434 -0.537 1.00 0.00 C ATOM 1434 CG1 ILE A 92 -2.255 12.564 0.583 1.00 0.00 C ATOM 1435 CG2 ILE A 92 -3.219 12.577 -1.733 1.00 0.00 C ATOM 1436 CD1 ILE A 92 -2.218 13.257 1.927 1.00 0.00 C ATOM 0 H ILE A 92 -3.187 15.038 -2.447 1.00 0.00 H new ATOM 0 HA ILE A 92 -1.567 15.125 -0.091 1.00 0.00 H new ATOM 0 HB ILE A 92 -3.725 13.930 -0.163 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.850 11.655 0.668 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -1.244 12.259 0.313 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.940 11.822 -1.420 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.664 13.207 -2.503 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.332 12.087 -2.134 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.799 12.582 2.673 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.599 14.151 1.858 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.230 13.538 2.219 1.00 0.00 H new ATOM 1448 N ALA A 93 -0.482 13.595 -2.768 1.00 0.00 N ATOM 1449 CA ALA A 93 0.675 12.951 -3.376 1.00 0.00 C ATOM 1450 C ALA A 93 1.962 13.692 -3.029 1.00 0.00 C ATOM 1451 O ALA A 93 3.030 13.089 -2.931 1.00 0.00 O ATOM 1452 CB ALA A 93 0.501 12.870 -4.885 1.00 0.00 C ATOM 0 H ALA A 93 -1.220 13.845 -3.426 1.00 0.00 H new ATOM 0 HA ALA A 93 0.750 11.940 -2.975 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.373 12.387 -5.326 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.392 12.290 -5.118 1.00 0.00 H new ATOM 0 HB3 ALA A 93 0.398 13.875 -5.294 1.00 0.00 H new ATOM 1458 N SER A 94 1.852 15.004 -2.844 1.00 0.00 N ATOM 1459 CA SER A 94 3.008 15.829 -2.512 1.00 0.00 C ATOM 1460 C SER A 94 3.331 15.737 -1.024 1.00 0.00 C ATOM 1461 O SER A 94 4.440 16.057 -0.596 1.00 0.00 O ATOM 1462 CB SER A 94 2.750 17.286 -2.901 1.00 0.00 C ATOM 1463 OG SER A 94 3.961 18.019 -2.961 1.00 0.00 O ATOM 0 H SER A 94 0.974 15.518 -2.918 1.00 0.00 H new ATOM 0 HA SER A 94 3.864 15.456 -3.075 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.250 17.324 -3.869 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.078 17.746 -2.176 1.00 0.00 H new ATOM 0 HG SER A 94 3.770 18.947 -3.213 1.00 0.00 H new ATOM 1469 N LYS A 95 2.353 15.298 -0.239 1.00 0.00 N ATOM 1470 CA LYS A 95 2.531 15.162 1.202 1.00 0.00 C ATOM 1471 C LYS A 95 3.212 13.841 1.545 1.00 0.00 C ATOM 1472 O LYS A 95 3.967 13.754 2.513 1.00 0.00 O ATOM 1473 CB LYS A 95 1.179 15.250 1.914 1.00 0.00 C ATOM 1474 CG LYS A 95 0.361 16.467 1.517 1.00 0.00 C ATOM 1475 CD LYS A 95 0.720 17.679 2.360 1.00 0.00 C ATOM 1476 CE LYS A 95 0.072 18.945 1.820 1.00 0.00 C ATOM 1477 NZ LYS A 95 0.412 20.137 2.645 1.00 0.00 N ATOM 0 H LYS A 95 1.428 15.030 -0.577 1.00 0.00 H new ATOM 0 HA LYS A 95 3.169 15.978 1.542 1.00 0.00 H new ATOM 0 HB2 LYS A 95 0.604 14.350 1.697 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.346 15.270 2.991 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.530 16.692 0.464 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -0.700 16.246 1.630 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.400 17.516 3.389 1.00 0.00 H new ATOM 0 HD3 LYS A 95 1.803 17.803 2.379 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.397 19.110 0.793 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -1.010 18.817 1.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -0.048 20.979 2.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.079 19.991 3.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 1.443 20.275 2.648 1.00 0.00 H new ATOM 1491 N ILE A 96 2.941 12.816 0.744 1.00 0.00 N ATOM 1492 CA ILE A 96 3.530 11.501 0.961 1.00 0.00 C ATOM 1493 C ILE A 96 4.967 11.451 0.452 1.00 0.00 C ATOM 1494 O ILE A 96 5.873 11.015 1.162 1.00 0.00 O ATOM 1495 CB ILE A 96 2.713 10.396 0.266 1.00 0.00 C ATOM 1496 CG1 ILE A 96 1.231 10.527 0.622 1.00 0.00 C ATOM 1497 CG2 ILE A 96 3.238 9.023 0.658 1.00 0.00 C ATOM 1498 CD1 ILE A 96 0.931 10.235 2.076 1.00 0.00 C ATOM 0 H ILE A 96 2.317 12.871 -0.061 1.00 0.00 H new ATOM 0 HA ILE A 96 3.522 11.326 2.037 1.00 0.00 H new ATOM 0 HB ILE A 96 2.820 10.510 -0.813 1.00 0.00 H new ATOM 0 HG12 ILE A 96 0.897 11.537 0.386 1.00 0.00 H new ATOM 0 HG13 ILE A 96 0.654 9.846 -0.004 1.00 0.00 H new ATOM 0 HG21 ILE A 96 2.650 8.253 0.159 1.00 0.00 H new ATOM 0 HG22 ILE A 96 4.282 8.934 0.359 1.00 0.00 H new ATOM 0 HG23 ILE A 96 3.158 8.898 1.738 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.138 10.347 2.257 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.234 9.215 2.312 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.481 10.932 2.708 1.00 0.00 H new ATOM 1510 N ALA A 97 5.168 11.903 -0.781 1.00 0.00 N ATOM 1511 CA ALA A 97 6.495 11.914 -1.384 1.00 0.00 C ATOM 1512 C ALA A 97 7.469 12.742 -0.552 1.00 0.00 C ATOM 1513 O ALA A 97 8.667 12.464 -0.523 1.00 0.00 O ATOM 1514 CB ALA A 97 6.424 12.451 -2.806 1.00 0.00 C ATOM 0 H ALA A 97 4.429 12.267 -1.382 1.00 0.00 H new ATOM 0 HA ALA A 97 6.863 10.888 -1.412 1.00 0.00 H new ATOM 0 HB1 ALA A 97 7.422 12.454 -3.244 1.00 0.00 H new ATOM 0 HB2 ALA A 97 5.768 11.817 -3.402 1.00 0.00 H new ATOM 0 HB3 ALA A 97 6.031 13.468 -2.792 1.00 0.00 H new ATOM 1520 N ASN A 98 6.946 13.760 0.123 1.00 0.00 N ATOM 1521 CA ASN A 98 7.771 14.629 0.956 1.00 0.00 C ATOM 1522 C ASN A 98 8.053 13.980 2.307 1.00 0.00 C ATOM 1523 O ASN A 98 9.167 13.529 2.569 1.00 0.00 O ATOM 1524 CB ASN A 98 7.081 15.979 1.159 1.00 0.00 C ATOM 1525 CG ASN A 98 7.440 16.981 0.079 1.00 0.00 C ATOM 1526 OD1 ASN A 98 7.910 16.610 -0.996 1.00 0.00 O ATOM 1527 ND2 ASN A 98 7.219 18.260 0.361 1.00 0.00 N ATOM 0 H ASN A 98 5.956 14.004 0.110 1.00 0.00 H new ATOM 0 HA ASN A 98 8.721 14.787 0.445 1.00 0.00 H new ATOM 0 HB2 ASN A 98 6.001 15.833 1.171 1.00 0.00 H new ATOM 0 HB3 ASN A 98 7.359 16.383 2.132 1.00 0.00 H new ATOM 0 HD21 ASN A 98 7.441 18.980 -0.327 1.00 0.00 H new ATOM 0 HD22 ASN A 98 6.828 18.523 1.266 1.00 0.00 H new ATOM 1534 N GLU A 99 7.035 13.938 3.161 1.00 0.00 N ATOM 1535 CA GLU A 99 7.174 13.344 4.486 1.00 0.00 C ATOM 1536 C GLU A 99 8.112 12.141 4.447 1.00 0.00 C ATOM 1537 O GLU A 99 9.052 12.047 5.237 1.00 0.00 O ATOM 1538 CB GLU A 99 5.807 12.921 5.026 1.00 0.00 C ATOM 1539 CG GLU A 99 5.061 14.038 5.737 1.00 0.00 C ATOM 1540 CD GLU A 99 4.348 14.968 4.774 1.00 0.00 C ATOM 1541 OE1 GLU A 99 5.010 15.872 4.223 1.00 0.00 O ATOM 1542 OE2 GLU A 99 3.128 14.793 4.572 1.00 0.00 O ATOM 0 H GLU A 99 6.106 14.308 2.959 1.00 0.00 H new ATOM 0 HA GLU A 99 7.602 14.095 5.150 1.00 0.00 H new ATOM 0 HB2 GLU A 99 5.197 12.556 4.200 1.00 0.00 H new ATOM 0 HB3 GLU A 99 5.940 12.088 5.716 1.00 0.00 H new ATOM 0 HG2 GLU A 99 4.334 13.605 6.424 1.00 0.00 H new ATOM 0 HG3 GLU A 99 5.764 14.614 6.339 1.00 0.00 H new ATOM 1549 N LEU A 100 7.850 11.224 3.523 1.00 0.00 N ATOM 1550 CA LEU A 100 8.670 10.025 3.380 1.00 0.00 C ATOM 1551 C LEU A 100 10.145 10.346 3.596 1.00 0.00 C ATOM 1552 O LEU A 100 10.850 10.736 2.665 1.00 0.00 O ATOM 1553 CB LEU A 100 8.468 9.407 1.996 1.00 0.00 C ATOM 1554 CG LEU A 100 7.322 8.403 1.870 1.00 0.00 C ATOM 1555 CD1 LEU A 100 7.244 7.856 0.453 1.00 0.00 C ATOM 1556 CD2 LEU A 100 7.493 7.270 2.872 1.00 0.00 C ATOM 0 H LEU A 100 7.076 11.287 2.861 1.00 0.00 H new ATOM 0 HA LEU A 100 8.358 9.308 4.140 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.299 10.213 1.282 1.00 0.00 H new ATOM 0 HB3 LEU A 100 9.393 8.911 1.703 1.00 0.00 H new ATOM 0 HG LEU A 100 6.387 8.919 2.090 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.422 7.143 0.383 1.00 0.00 H new ATOM 0 HD12 LEU A 100 7.073 8.676 -0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.180 7.356 0.204 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.668 6.565 2.768 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.436 6.756 2.683 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.498 7.676 3.883 1.00 0.00 H new ATOM 1568 N LYS A 101 10.607 10.178 4.831 1.00 0.00 N ATOM 1569 CA LYS A 101 12.000 10.445 5.170 1.00 0.00 C ATOM 1570 C LYS A 101 12.915 9.363 4.607 1.00 0.00 C ATOM 1571 O LYS A 101 13.338 8.457 5.326 1.00 0.00 O ATOM 1572 CB LYS A 101 12.169 10.532 6.688 1.00 0.00 C ATOM 1573 CG LYS A 101 11.910 11.918 7.251 1.00 0.00 C ATOM 1574 CD LYS A 101 12.133 11.961 8.754 1.00 0.00 C ATOM 1575 CE LYS A 101 11.608 13.254 9.359 1.00 0.00 C ATOM 1576 NZ LYS A 101 11.498 13.168 10.841 1.00 0.00 N ATOM 0 H LYS A 101 10.037 9.858 5.614 1.00 0.00 H new ATOM 0 HA LYS A 101 12.279 11.400 4.724 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.489 9.824 7.162 1.00 0.00 H new ATOM 0 HB3 LYS A 101 13.182 10.226 6.950 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.568 12.638 6.764 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.887 12.218 7.026 1.00 0.00 H new ATOM 0 HD2 LYS A 101 11.635 11.111 9.221 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.197 11.864 8.968 1.00 0.00 H new ATOM 0 HE2 LYS A 101 12.272 14.076 9.091 1.00 0.00 H new ATOM 0 HE3 LYS A 101 10.630 13.483 8.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 11.137 14.069 11.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 10.845 12.400 11.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 12.435 12.975 11.248 1.00 0.00 H new ATOM 1590 N LEU A 102 13.218 9.463 3.317 1.00 0.00 N ATOM 1591 CA LEU A 102 14.085 8.492 2.658 1.00 0.00 C ATOM 1592 C LEU A 102 15.114 9.192 1.775 1.00 0.00 C ATOM 1593 O LEU A 102 14.759 9.909 0.840 1.00 0.00 O ATOM 1594 CB LEU A 102 13.252 7.523 1.818 1.00 0.00 C ATOM 1595 CG LEU A 102 11.973 6.997 2.470 1.00 0.00 C ATOM 1596 CD1 LEU A 102 11.027 6.440 1.418 1.00 0.00 C ATOM 1597 CD2 LEU A 102 12.302 5.936 3.510 1.00 0.00 C ATOM 0 H LEU A 102 12.876 10.206 2.707 1.00 0.00 H new ATOM 0 HA LEU A 102 14.615 7.933 3.429 1.00 0.00 H new ATOM 0 HB2 LEU A 102 12.983 8.021 0.886 1.00 0.00 H new ATOM 0 HB3 LEU A 102 13.879 6.671 1.555 1.00 0.00 H new ATOM 0 HG LEU A 102 11.476 7.827 2.972 1.00 0.00 H new ATOM 0 HD11 LEU A 102 10.123 6.070 1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 102 10.765 7.227 0.711 1.00 0.00 H new ATOM 0 HD13 LEU A 102 11.514 5.623 0.887 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.380 5.573 3.964 1.00 0.00 H new ATOM 0 HD22 LEU A 102 12.822 5.106 3.031 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.940 6.368 4.281 1.00 0.00 H new TER 1609 LEU A 102