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 37 CYS SG : rot 180:sc= -0.159 USER MOD Set 1.2: A 51 HIS : no HD1:sc= -1.22 K(o=-1.4,f=-4.3!) USER MOD Set 2.1: A 17 SER OG : rot -50:sc= 0.602 USER MOD Set 2.2: A 24 MET CE :methyl -161:sc= -1.3 (180deg=-2.06) 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 34:sc= 0.749 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 34:sc= 0.373 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 34:sc= 0.727 USER MOD Single : A 13 MET CE :methyl -160:sc= -6.99! (180deg=-8.53!) USER MOD Single : A 14 LYS NZ :NH3+ 166:sc=-0.00197 (180deg=-0.101) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -171:sc= 0 (180deg=-0.0703) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -169:sc= -0.427 (180deg=-0.897) 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= -0.0162 K(o=-0.016,f=-1.2) USER MOD Single : A 39 TYR OH : rot 165:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -1.17 X(o=-1.2,f=-1.5) USER MOD Single : A 49 CYS SG : rot 60:sc= -1.11 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN :FLIP amide:sc= -0.864 F(o=-3.1,f=-0.86) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 64 MET CE :methyl -170:sc= -3.82! (180deg=-4.83!) USER MOD Single : A 67 CYS SG : rot 180:sc= 0.0197 USER MOD Single : A 68 LYS NZ :NH3+ -127:sc= -0.188 (180deg=-1.58!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -2.96! C(o=-3!,f=-4.3!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= -0.0904 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= -0.835 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -1.17 K(o=-1.2,f=-2.2) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -153:sc= 0.621 (180deg=0.0356) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.419 20.125 -17.730 1.00 0.00 N ATOM 2 CA GLY A 1 -1.485 21.003 -17.286 1.00 0.00 C ATOM 3 C GLY A 1 -2.682 20.977 -18.216 1.00 0.00 C ATOM 4 O GLY A 1 -3.789 20.632 -17.804 1.00 0.00 O ATOM 0 H1 GLY A 1 0.376 20.178 -17.061 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.770 19.147 -17.773 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.097 20.419 -18.674 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.800 20.709 -16.285 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.106 22.023 -17.215 1.00 0.00 H new ATOM 8 N SER A 2 -2.460 21.344 -19.474 1.00 0.00 N ATOM 9 CA SER A 2 -3.530 21.367 -20.464 1.00 0.00 C ATOM 10 C SER A 2 -3.543 20.078 -21.280 1.00 0.00 C ATOM 11 O SER A 2 -3.714 20.103 -22.499 1.00 0.00 O ATOM 12 CB SER A 2 -3.368 22.571 -21.394 1.00 0.00 C ATOM 13 OG SER A 2 -2.131 22.520 -22.083 1.00 0.00 O ATOM 0 H SER A 2 -1.548 21.630 -19.832 1.00 0.00 H new ATOM 0 HA SER A 2 -4.479 21.451 -19.935 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.187 22.592 -22.112 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.428 23.493 -20.815 1.00 0.00 H new ATOM 0 HG SER A 2 -2.052 23.299 -22.672 1.00 0.00 H new ATOM 19 N SER A 3 -3.361 18.951 -20.598 1.00 0.00 N ATOM 20 CA SER A 3 -3.348 17.652 -21.259 1.00 0.00 C ATOM 21 C SER A 3 -3.601 16.530 -20.256 1.00 0.00 C ATOM 22 O SER A 3 -3.015 16.505 -19.175 1.00 0.00 O ATOM 23 CB SER A 3 -2.009 17.428 -21.964 1.00 0.00 C ATOM 24 OG SER A 3 -2.029 17.957 -23.279 1.00 0.00 O ATOM 0 H SER A 3 -3.221 18.912 -19.588 1.00 0.00 H new ATOM 0 HA SER A 3 -4.147 17.641 -22.000 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.210 17.899 -21.391 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.788 16.361 -22.001 1.00 0.00 H new ATOM 0 HG SER A 3 -2.583 18.765 -23.298 1.00 0.00 H new ATOM 30 N GLY A 4 -4.480 15.602 -20.625 1.00 0.00 N ATOM 31 CA GLY A 4 -4.796 14.490 -19.748 1.00 0.00 C ATOM 32 C GLY A 4 -3.807 13.349 -19.878 1.00 0.00 C ATOM 33 O GLY A 4 -2.937 13.369 -20.749 1.00 0.00 O ATOM 0 H GLY A 4 -4.978 15.601 -21.515 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.810 14.839 -18.715 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.798 14.126 -19.975 1.00 0.00 H new ATOM 37 N SER A 5 -3.938 12.352 -19.009 1.00 0.00 N ATOM 38 CA SER A 5 -3.045 11.200 -19.027 1.00 0.00 C ATOM 39 C SER A 5 -3.229 10.390 -20.306 1.00 0.00 C ATOM 40 O SER A 5 -4.354 10.096 -20.712 1.00 0.00 O ATOM 41 CB SER A 5 -3.299 10.312 -17.806 1.00 0.00 C ATOM 42 OG SER A 5 -3.166 11.049 -16.603 1.00 0.00 O ATOM 0 H SER A 5 -4.654 12.319 -18.284 1.00 0.00 H new ATOM 0 HA SER A 5 -2.019 11.566 -18.994 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.300 9.884 -17.865 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.596 9.479 -17.806 1.00 0.00 H new ATOM 0 HG SER A 5 -3.335 10.460 -15.838 1.00 0.00 H new ATOM 48 N SER A 6 -2.116 10.031 -20.937 1.00 0.00 N ATOM 49 CA SER A 6 -2.153 9.258 -22.173 1.00 0.00 C ATOM 50 C SER A 6 -0.815 8.570 -22.424 1.00 0.00 C ATOM 51 O SER A 6 0.225 9.221 -22.504 1.00 0.00 O ATOM 52 CB SER A 6 -2.504 10.163 -23.356 1.00 0.00 C ATOM 53 OG SER A 6 -1.535 11.184 -23.521 1.00 0.00 O ATOM 0 H SER A 6 -1.177 10.263 -20.613 1.00 0.00 H new ATOM 0 HA SER A 6 -2.922 8.492 -22.070 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.569 9.568 -24.267 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.485 10.610 -23.197 1.00 0.00 H new ATOM 0 HG SER A 6 -0.653 10.842 -23.266 1.00 0.00 H new ATOM 59 N GLY A 7 -0.851 7.246 -22.547 1.00 0.00 N ATOM 60 CA GLY A 7 0.364 6.490 -22.787 1.00 0.00 C ATOM 61 C GLY A 7 0.475 5.272 -21.893 1.00 0.00 C ATOM 62 O GLY A 7 -0.320 5.097 -20.969 1.00 0.00 O ATOM 0 H GLY A 7 -1.700 6.684 -22.485 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.392 6.175 -23.830 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.228 7.135 -22.626 1.00 0.00 H new ATOM 66 N ARG A 8 1.464 4.426 -22.167 1.00 0.00 N ATOM 67 CA ARG A 8 1.674 3.216 -21.381 1.00 0.00 C ATOM 68 C ARG A 8 1.634 3.524 -19.887 1.00 0.00 C ATOM 69 O ARG A 8 2.281 4.461 -19.418 1.00 0.00 O ATOM 70 CB ARG A 8 3.014 2.573 -21.745 1.00 0.00 C ATOM 71 CG ARG A 8 2.950 1.692 -22.981 1.00 0.00 C ATOM 72 CD ARG A 8 4.163 0.779 -23.078 1.00 0.00 C ATOM 73 NE ARG A 8 4.162 -0.004 -24.310 1.00 0.00 N ATOM 74 CZ ARG A 8 5.024 -0.983 -24.559 1.00 0.00 C ATOM 75 NH1 ARG A 8 5.950 -1.299 -23.665 1.00 0.00 N ATOM 76 NH2 ARG A 8 4.959 -1.650 -25.705 1.00 0.00 N ATOM 0 H ARG A 8 2.132 4.557 -22.927 1.00 0.00 H new ATOM 0 HA ARG A 8 0.869 2.518 -21.612 1.00 0.00 H new ATOM 0 HB2 ARG A 8 3.752 3.358 -21.907 1.00 0.00 H new ATOM 0 HB3 ARG A 8 3.362 1.977 -20.902 1.00 0.00 H new ATOM 0 HG2 ARG A 8 2.042 1.090 -22.954 1.00 0.00 H new ATOM 0 HG3 ARG A 8 2.892 2.317 -23.872 1.00 0.00 H new ATOM 0 HD2 ARG A 8 5.072 1.378 -23.030 1.00 0.00 H new ATOM 0 HD3 ARG A 8 4.179 0.106 -22.221 1.00 0.00 H new ATOM 0 HE ARG A 8 3.461 0.213 -25.018 1.00 0.00 H new ATOM 0 HH11 ARG A 8 6.002 -0.790 -22.783 1.00 0.00 H new ATOM 0 HH12 ARG A 8 6.611 -2.051 -23.859 1.00 0.00 H new ATOM 0 HH21 ARG A 8 4.247 -1.411 -26.395 1.00 0.00 H new ATOM 0 HH22 ARG A 8 5.621 -2.402 -25.896 1.00 0.00 H new ATOM 90 N PHE A 9 0.870 2.730 -19.145 1.00 0.00 N ATOM 91 CA PHE A 9 0.744 2.919 -17.704 1.00 0.00 C ATOM 92 C PHE A 9 1.788 2.096 -16.955 1.00 0.00 C ATOM 93 O PHE A 9 1.585 0.911 -16.685 1.00 0.00 O ATOM 94 CB PHE A 9 -0.660 2.529 -17.238 1.00 0.00 C ATOM 95 CG PHE A 9 -1.654 3.652 -17.325 1.00 0.00 C ATOM 96 CD1 PHE A 9 -1.741 4.598 -16.317 1.00 0.00 C ATOM 97 CD2 PHE A 9 -2.502 3.761 -18.416 1.00 0.00 C ATOM 98 CE1 PHE A 9 -2.654 5.632 -16.394 1.00 0.00 C ATOM 99 CE2 PHE A 9 -3.417 4.793 -18.499 1.00 0.00 C ATOM 100 CZ PHE A 9 -3.494 5.730 -17.486 1.00 0.00 C ATOM 0 H PHE A 9 0.329 1.950 -19.517 1.00 0.00 H new ATOM 0 HA PHE A 9 0.912 3.973 -17.484 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -1.015 1.693 -17.840 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.608 2.180 -16.207 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -1.087 4.526 -15.460 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.447 3.031 -19.210 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -2.711 6.363 -15.601 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.072 4.867 -19.355 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.209 6.537 -17.548 1.00 0.00 H new ATOM 110 N THR A 10 2.906 2.732 -16.621 1.00 0.00 N ATOM 111 CA THR A 10 3.983 2.060 -15.905 1.00 0.00 C ATOM 112 C THR A 10 4.534 2.939 -14.788 1.00 0.00 C ATOM 113 O THR A 10 4.325 4.152 -14.781 1.00 0.00 O ATOM 114 CB THR A 10 5.134 1.674 -16.854 1.00 0.00 C ATOM 115 OG1 THR A 10 5.684 2.849 -17.460 1.00 0.00 O ATOM 116 CG2 THR A 10 4.648 0.720 -17.934 1.00 0.00 C ATOM 0 H THR A 10 3.089 3.712 -16.835 1.00 0.00 H new ATOM 0 HA THR A 10 3.558 1.154 -15.474 1.00 0.00 H new ATOM 0 HB THR A 10 5.905 1.173 -16.269 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.416 2.595 -18.060 1.00 0.00 H new ATOM 0 HG21 THR A 10 5.478 0.462 -18.592 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.257 -0.186 -17.470 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.860 1.199 -18.515 1.00 0.00 H new ATOM 124 N TRP A 11 5.238 2.321 -13.847 1.00 0.00 N ATOM 125 CA TRP A 11 5.819 3.049 -12.725 1.00 0.00 C ATOM 126 C TRP A 11 6.578 4.280 -13.209 1.00 0.00 C ATOM 127 O TRP A 11 7.431 4.187 -14.092 1.00 0.00 O ATOM 128 CB TRP A 11 6.755 2.138 -11.929 1.00 0.00 C ATOM 129 CG TRP A 11 6.254 0.730 -11.810 1.00 0.00 C ATOM 130 CD1 TRP A 11 6.973 -0.414 -12.005 1.00 0.00 C ATOM 131 CD2 TRP A 11 4.925 0.319 -11.472 1.00 0.00 C ATOM 132 NE1 TRP A 11 6.171 -1.513 -11.808 1.00 0.00 N ATOM 133 CE2 TRP A 11 4.911 -1.089 -11.479 1.00 0.00 C ATOM 134 CE3 TRP A 11 3.747 1.003 -11.162 1.00 0.00 C ATOM 135 CZ2 TRP A 11 3.763 -1.823 -11.189 1.00 0.00 C ATOM 136 CZ3 TRP A 11 2.609 0.274 -10.875 1.00 0.00 C ATOM 137 CH2 TRP A 11 2.624 -1.127 -10.889 1.00 0.00 C ATOM 0 H TRP A 11 5.420 1.317 -13.838 1.00 0.00 H new ATOM 0 HA TRP A 11 5.006 3.378 -12.078 1.00 0.00 H new ATOM 0 HB2 TRP A 11 7.734 2.128 -12.407 1.00 0.00 H new ATOM 0 HB3 TRP A 11 6.892 2.553 -10.930 1.00 0.00 H new ATOM 0 HD1 TRP A 11 8.018 -0.450 -12.274 1.00 0.00 H new ATOM 0 HE1 TRP A 11 6.466 -2.486 -11.893 1.00 0.00 H new ATOM 0 HE3 TRP A 11 3.726 2.083 -11.147 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 3.772 -2.903 -11.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 1.692 0.793 -10.636 1.00 0.00 H new ATOM 0 HH2 TRP A 11 1.718 -1.668 -10.658 1.00 0.00 H new ATOM 148 N SER A 12 6.261 5.432 -12.627 1.00 0.00 N ATOM 149 CA SER A 12 6.911 6.682 -13.002 1.00 0.00 C ATOM 150 C SER A 12 6.821 7.702 -11.872 1.00 0.00 C ATOM 151 O SER A 12 5.738 8.187 -11.544 1.00 0.00 O ATOM 152 CB SER A 12 6.274 7.252 -14.271 1.00 0.00 C ATOM 153 OG SER A 12 4.918 7.598 -14.050 1.00 0.00 O ATOM 0 H SER A 12 5.558 5.526 -11.894 1.00 0.00 H new ATOM 0 HA SER A 12 7.963 6.472 -13.195 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.829 8.132 -14.596 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.339 6.519 -15.075 1.00 0.00 H new ATOM 0 HG SER A 12 4.807 7.915 -13.129 1.00 0.00 H new ATOM 159 N MET A 13 7.966 8.023 -11.279 1.00 0.00 N ATOM 160 CA MET A 13 8.017 8.987 -10.186 1.00 0.00 C ATOM 161 C MET A 13 9.412 9.591 -10.058 1.00 0.00 C ATOM 162 O MET A 13 10.379 9.070 -10.614 1.00 0.00 O ATOM 163 CB MET A 13 7.616 8.318 -8.869 1.00 0.00 C ATOM 164 CG MET A 13 8.159 6.907 -8.715 1.00 0.00 C ATOM 165 SD MET A 13 9.799 6.871 -7.966 1.00 0.00 S ATOM 166 CE MET A 13 9.406 6.286 -6.319 1.00 0.00 C ATOM 0 H MET A 13 8.871 7.630 -11.537 1.00 0.00 H new ATOM 0 HA MET A 13 7.312 9.788 -10.408 1.00 0.00 H new ATOM 0 HB2 MET A 13 7.971 8.928 -8.038 1.00 0.00 H new ATOM 0 HB3 MET A 13 6.528 8.289 -8.802 1.00 0.00 H new ATOM 0 HG2 MET A 13 7.472 6.322 -8.104 1.00 0.00 H new ATOM 0 HG3 MET A 13 8.200 6.429 -9.694 1.00 0.00 H new ATOM 0 HE1 MET A 13 10.219 6.540 -5.639 1.00 0.00 H new ATOM 0 HE2 MET A 13 8.485 6.757 -5.976 1.00 0.00 H new ATOM 0 HE3 MET A 13 9.274 5.204 -6.339 1.00 0.00 H new ATOM 176 N LYS A 14 9.509 10.694 -9.324 1.00 0.00 N ATOM 177 CA LYS A 14 10.785 11.370 -9.122 1.00 0.00 C ATOM 178 C LYS A 14 11.284 11.175 -7.693 1.00 0.00 C ATOM 179 O LYS A 14 11.971 12.036 -7.142 1.00 0.00 O ATOM 180 CB LYS A 14 10.649 12.863 -9.427 1.00 0.00 C ATOM 181 CG LYS A 14 10.283 13.158 -10.871 1.00 0.00 C ATOM 182 CD LYS A 14 9.794 14.586 -11.043 1.00 0.00 C ATOM 183 CE LYS A 14 8.873 14.720 -12.246 1.00 0.00 C ATOM 184 NZ LYS A 14 7.534 14.122 -11.989 1.00 0.00 N ATOM 0 H LYS A 14 8.718 11.139 -8.859 1.00 0.00 H new ATOM 0 HA LYS A 14 11.512 10.931 -9.805 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.889 13.291 -8.774 1.00 0.00 H new ATOM 0 HB3 LYS A 14 11.589 13.361 -9.190 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.151 12.991 -11.509 1.00 0.00 H new ATOM 0 HG3 LYS A 14 9.508 12.465 -11.199 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.266 14.902 -10.143 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.648 15.252 -11.162 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.757 15.774 -12.499 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.329 14.233 -13.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.867 14.435 -12.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.608 13.085 -12.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.190 14.428 -11.056 1.00 0.00 H new ATOM 198 N THR A 15 10.934 10.039 -7.099 1.00 0.00 N ATOM 199 CA THR A 15 11.346 9.732 -5.735 1.00 0.00 C ATOM 200 C THR A 15 12.267 8.518 -5.699 1.00 0.00 C ATOM 201 O THR A 15 12.095 7.571 -6.468 1.00 0.00 O ATOM 202 CB THR A 15 10.131 9.467 -4.827 1.00 0.00 C ATOM 203 OG1 THR A 15 9.159 10.505 -4.993 1.00 0.00 O ATOM 204 CG2 THR A 15 10.553 9.390 -3.367 1.00 0.00 C ATOM 0 H THR A 15 10.366 9.316 -7.541 1.00 0.00 H new ATOM 0 HA THR A 15 11.884 10.604 -5.364 1.00 0.00 H new ATOM 0 HB THR A 15 9.693 8.511 -5.114 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.389 10.328 -4.413 1.00 0.00 H new ATOM 0 HG21 THR A 15 9.678 9.202 -2.745 1.00 0.00 H new ATOM 0 HG22 THR A 15 11.271 8.580 -3.238 1.00 0.00 H new ATOM 0 HG23 THR A 15 11.013 10.333 -3.071 1.00 0.00 H new ATOM 212 N THR A 16 13.247 8.550 -4.801 1.00 0.00 N ATOM 213 CA THR A 16 14.196 7.452 -4.666 1.00 0.00 C ATOM 214 C THR A 16 14.584 7.237 -3.207 1.00 0.00 C ATOM 215 O THR A 16 14.590 8.177 -2.412 1.00 0.00 O ATOM 216 CB THR A 16 15.471 7.706 -5.492 1.00 0.00 C ATOM 217 OG1 THR A 16 15.779 9.104 -5.499 1.00 0.00 O ATOM 218 CG2 THR A 16 15.297 7.212 -6.920 1.00 0.00 C ATOM 0 H THR A 16 13.404 9.325 -4.156 1.00 0.00 H new ATOM 0 HA THR A 16 13.700 6.558 -5.043 1.00 0.00 H new ATOM 0 HB THR A 16 16.292 7.156 -5.032 1.00 0.00 H new ATOM 0 HG1 THR A 16 16.592 9.257 -6.025 1.00 0.00 H new ATOM 0 HG21 THR A 16 16.210 7.402 -7.484 1.00 0.00 H new ATOM 0 HG22 THR A 16 15.091 6.142 -6.912 1.00 0.00 H new ATOM 0 HG23 THR A 16 14.465 7.738 -7.388 1.00 0.00 H new ATOM 226 N SER A 17 14.907 5.995 -2.862 1.00 0.00 N ATOM 227 CA SER A 17 15.293 5.657 -1.497 1.00 0.00 C ATOM 228 C SER A 17 16.379 4.585 -1.490 1.00 0.00 C ATOM 229 O SER A 17 16.251 3.551 -2.146 1.00 0.00 O ATOM 230 CB SER A 17 14.077 5.172 -0.706 1.00 0.00 C ATOM 231 OG SER A 17 13.601 3.936 -1.208 1.00 0.00 O ATOM 0 H SER A 17 14.909 5.206 -3.509 1.00 0.00 H new ATOM 0 HA SER A 17 15.690 6.555 -1.024 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.343 5.063 0.345 1.00 0.00 H new ATOM 0 HB3 SER A 17 13.284 5.918 -0.758 1.00 0.00 H new ATOM 0 HG SER A 17 13.490 3.998 -2.180 1.00 0.00 H new ATOM 237 N SER A 18 17.448 4.840 -0.743 1.00 0.00 N ATOM 238 CA SER A 18 18.559 3.900 -0.652 1.00 0.00 C ATOM 239 C SER A 18 18.236 2.769 0.320 1.00 0.00 C ATOM 240 O SER A 18 18.398 1.593 -0.003 1.00 0.00 O ATOM 241 CB SER A 18 19.832 4.622 -0.206 1.00 0.00 C ATOM 242 OG SER A 18 20.924 3.724 -0.116 1.00 0.00 O ATOM 0 H SER A 18 17.568 5.690 -0.192 1.00 0.00 H new ATOM 0 HA SER A 18 18.721 3.471 -1.641 1.00 0.00 H new ATOM 0 HB2 SER A 18 20.069 5.417 -0.913 1.00 0.00 H new ATOM 0 HB3 SER A 18 19.665 5.095 0.762 1.00 0.00 H new ATOM 0 HG SER A 18 21.725 4.211 0.169 1.00 0.00 H new ATOM 248 N MET A 19 17.778 3.135 1.513 1.00 0.00 N ATOM 249 CA MET A 19 17.430 2.152 2.533 1.00 0.00 C ATOM 250 C MET A 19 16.782 0.923 1.904 1.00 0.00 C ATOM 251 O MET A 19 16.123 1.018 0.869 1.00 0.00 O ATOM 252 CB MET A 19 16.485 2.770 3.565 1.00 0.00 C ATOM 253 CG MET A 19 15.396 3.635 2.952 1.00 0.00 C ATOM 254 SD MET A 19 14.589 4.698 4.164 1.00 0.00 S ATOM 255 CE MET A 19 13.561 3.510 5.025 1.00 0.00 C ATOM 0 H MET A 19 17.639 4.105 1.797 1.00 0.00 H new ATOM 0 HA MET A 19 18.348 1.841 3.032 1.00 0.00 H new ATOM 0 HB2 MET A 19 16.020 1.972 4.144 1.00 0.00 H new ATOM 0 HB3 MET A 19 17.066 3.373 4.263 1.00 0.00 H new ATOM 0 HG2 MET A 19 15.828 4.252 2.164 1.00 0.00 H new ATOM 0 HG3 MET A 19 14.650 2.994 2.482 1.00 0.00 H new ATOM 0 HE1 MET A 19 12.882 4.036 5.697 1.00 0.00 H new ATOM 0 HE2 MET A 19 12.983 2.937 4.300 1.00 0.00 H new ATOM 0 HE3 MET A 19 14.192 2.834 5.602 1.00 0.00 H new ATOM 265 N ASP A 20 16.975 -0.230 2.536 1.00 0.00 N ATOM 266 CA ASP A 20 16.409 -1.478 2.038 1.00 0.00 C ATOM 267 C ASP A 20 14.885 -1.413 2.017 1.00 0.00 C ATOM 268 O ASP A 20 14.264 -0.602 2.704 1.00 0.00 O ATOM 269 CB ASP A 20 16.869 -2.652 2.903 1.00 0.00 C ATOM 270 CG ASP A 20 17.036 -2.268 4.360 1.00 0.00 C ATOM 271 OD1 ASP A 20 17.945 -1.466 4.662 1.00 0.00 O ATOM 272 OD2 ASP A 20 16.257 -2.767 5.198 1.00 0.00 O ATOM 0 H ASP A 20 17.519 -0.326 3.394 1.00 0.00 H new ATOM 0 HA ASP A 20 16.763 -1.627 1.018 1.00 0.00 H new ATOM 0 HB2 ASP A 20 16.145 -3.463 2.825 1.00 0.00 H new ATOM 0 HB3 ASP A 20 17.816 -3.033 2.520 1.00 0.00 H new ATOM 277 N PRO A 21 14.266 -2.286 1.209 1.00 0.00 N ATOM 278 CA PRO A 21 12.807 -2.347 1.078 1.00 0.00 C ATOM 279 C PRO A 21 12.134 -2.885 2.336 1.00 0.00 C ATOM 280 O PRO A 21 10.924 -2.746 2.512 1.00 0.00 O ATOM 281 CB PRO A 21 12.596 -3.309 -0.094 1.00 0.00 C ATOM 282 CG PRO A 21 13.817 -4.162 -0.109 1.00 0.00 C ATOM 283 CD PRO A 21 14.943 -3.282 0.361 1.00 0.00 C ATOM 0 HA PRO A 21 12.370 -1.361 0.922 1.00 0.00 H new ATOM 0 HB2 PRO A 21 11.696 -3.908 0.043 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.479 -2.769 -1.033 1.00 0.00 H new ATOM 0 HG2 PRO A 21 13.698 -5.026 0.545 1.00 0.00 H new ATOM 0 HG3 PRO A 21 14.013 -4.545 -1.110 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.688 -3.847 0.921 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.462 -2.812 -0.475 1.00 0.00 H new ATOM 291 N SER A 22 12.926 -3.500 3.209 1.00 0.00 N ATOM 292 CA SER A 22 12.406 -4.061 4.450 1.00 0.00 C ATOM 293 C SER A 22 12.104 -2.959 5.460 1.00 0.00 C ATOM 294 O SER A 22 11.267 -3.128 6.348 1.00 0.00 O ATOM 295 CB SER A 22 13.407 -5.054 5.044 1.00 0.00 C ATOM 296 OG SER A 22 12.861 -5.714 6.173 1.00 0.00 O ATOM 0 H SER A 22 13.930 -3.622 3.079 1.00 0.00 H new ATOM 0 HA SER A 22 11.477 -4.585 4.222 1.00 0.00 H new ATOM 0 HB2 SER A 22 13.687 -5.789 4.289 1.00 0.00 H new ATOM 0 HB3 SER A 22 14.318 -4.529 5.331 1.00 0.00 H new ATOM 0 HG SER A 22 13.519 -6.344 6.534 1.00 0.00 H new ATOM 302 N ASP A 23 12.791 -1.831 5.319 1.00 0.00 N ATOM 303 CA ASP A 23 12.597 -0.700 6.218 1.00 0.00 C ATOM 304 C ASP A 23 11.535 0.251 5.674 1.00 0.00 C ATOM 305 O ASP A 23 10.810 0.889 6.436 1.00 0.00 O ATOM 306 CB ASP A 23 13.914 0.050 6.421 1.00 0.00 C ATOM 307 CG ASP A 23 15.018 -0.850 6.940 1.00 0.00 C ATOM 308 OD1 ASP A 23 14.705 -1.967 7.403 1.00 0.00 O ATOM 309 OD2 ASP A 23 16.196 -0.438 6.886 1.00 0.00 O ATOM 0 H ASP A 23 13.488 -1.676 4.590 1.00 0.00 H new ATOM 0 HA ASP A 23 12.256 -1.086 7.179 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.225 0.494 5.476 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.758 0.870 7.122 1.00 0.00 H new ATOM 314 N MET A 24 11.451 0.340 4.350 1.00 0.00 N ATOM 315 CA MET A 24 10.477 1.213 3.704 1.00 0.00 C ATOM 316 C MET A 24 9.059 0.870 4.150 1.00 0.00 C ATOM 317 O MET A 24 8.365 1.701 4.736 1.00 0.00 O ATOM 318 CB MET A 24 10.588 1.098 2.183 1.00 0.00 C ATOM 319 CG MET A 24 11.613 2.042 1.575 1.00 0.00 C ATOM 320 SD MET A 24 11.894 1.726 -0.178 1.00 0.00 S ATOM 321 CE MET A 24 10.685 2.822 -0.917 1.00 0.00 C ATOM 0 H MET A 24 12.045 -0.181 3.705 1.00 0.00 H new ATOM 0 HA MET A 24 10.693 2.239 4.000 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.851 0.073 1.923 1.00 0.00 H new ATOM 0 HB3 MET A 24 9.613 1.299 1.740 1.00 0.00 H new ATOM 0 HG2 MET A 24 11.276 3.070 1.705 1.00 0.00 H new ATOM 0 HG3 MET A 24 12.556 1.944 2.114 1.00 0.00 H new ATOM 0 HE1 MET A 24 10.492 2.512 -1.944 1.00 0.00 H new ATOM 0 HE2 MET A 24 9.758 2.780 -0.345 1.00 0.00 H new ATOM 0 HE3 MET A 24 11.068 3.842 -0.912 1.00 0.00 H new ATOM 331 N MET A 25 8.636 -0.357 3.868 1.00 0.00 N ATOM 332 CA MET A 25 7.300 -0.809 4.241 1.00 0.00 C ATOM 333 C MET A 25 6.893 -0.240 5.596 1.00 0.00 C ATOM 334 O MET A 25 5.777 0.252 5.763 1.00 0.00 O ATOM 335 CB MET A 25 7.248 -2.337 4.281 1.00 0.00 C ATOM 336 CG MET A 25 7.146 -2.978 2.906 1.00 0.00 C ATOM 337 SD MET A 25 5.700 -2.417 1.985 1.00 0.00 S ATOM 338 CE MET A 25 4.418 -3.430 2.719 1.00 0.00 C ATOM 0 H MET A 25 9.198 -1.056 3.383 1.00 0.00 H new ATOM 0 HA MET A 25 6.598 -0.448 3.489 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.142 -2.710 4.781 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.393 -2.648 4.882 1.00 0.00 H new ATOM 0 HG2 MET A 25 8.046 -2.750 2.335 1.00 0.00 H new ATOM 0 HG3 MET A 25 7.104 -4.062 3.016 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.505 -3.345 2.129 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.743 -4.470 2.738 1.00 0.00 H new ATOM 0 HE3 MET A 25 4.225 -3.091 3.737 1.00 0.00 H new ATOM 348 N ARG A 26 7.804 -0.310 6.561 1.00 0.00 N ATOM 349 CA ARG A 26 7.539 0.198 7.902 1.00 0.00 C ATOM 350 C ARG A 26 7.274 1.700 7.872 1.00 0.00 C ATOM 351 O ARG A 26 6.215 2.161 8.296 1.00 0.00 O ATOM 352 CB ARG A 26 8.718 -0.105 8.828 1.00 0.00 C ATOM 353 CG ARG A 26 8.358 -0.069 10.304 1.00 0.00 C ATOM 354 CD ARG A 26 9.357 -0.854 11.140 1.00 0.00 C ATOM 355 NE ARG A 26 8.982 -2.260 11.262 1.00 0.00 N ATOM 356 CZ ARG A 26 9.823 -3.214 11.648 1.00 0.00 C ATOM 357 NH1 ARG A 26 11.079 -2.913 11.947 1.00 0.00 N ATOM 358 NH2 ARG A 26 9.407 -4.471 11.735 1.00 0.00 N ATOM 0 H ARG A 26 8.733 -0.714 6.439 1.00 0.00 H new ATOM 0 HA ARG A 26 6.649 -0.303 8.283 1.00 0.00 H new ATOM 0 HB2 ARG A 26 9.117 -1.090 8.584 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.513 0.617 8.639 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.328 0.965 10.647 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.359 -0.481 10.446 1.00 0.00 H new ATOM 0 HD2 ARG A 26 10.346 -0.780 10.687 1.00 0.00 H new ATOM 0 HD3 ARG A 26 9.427 -0.410 12.133 1.00 0.00 H new ATOM 0 HE ARG A 26 8.022 -2.524 11.039 1.00 0.00 H new ATOM 0 HH11 ARG A 26 11.402 -1.948 11.881 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.723 -3.647 12.243 1.00 0.00 H new ATOM 0 HH21 ARG A 26 8.441 -4.706 11.506 1.00 0.00 H new ATOM 0 HH22 ARG A 26 10.053 -5.203 12.031 1.00 0.00 H new ATOM 372 N GLU A 27 8.243 2.457 7.368 1.00 0.00 N ATOM 373 CA GLU A 27 8.115 3.907 7.285 1.00 0.00 C ATOM 374 C GLU A 27 6.838 4.298 6.546 1.00 0.00 C ATOM 375 O GLU A 27 6.013 5.049 7.067 1.00 0.00 O ATOM 376 CB GLU A 27 9.331 4.510 6.578 1.00 0.00 C ATOM 377 CG GLU A 27 9.055 5.860 5.938 1.00 0.00 C ATOM 378 CD GLU A 27 10.286 6.745 5.892 1.00 0.00 C ATOM 379 OE1 GLU A 27 11.339 6.323 6.413 1.00 0.00 O ATOM 380 OE2 GLU A 27 10.195 7.859 5.335 1.00 0.00 O ATOM 0 H GLU A 27 9.125 2.090 7.011 1.00 0.00 H new ATOM 0 HA GLU A 27 8.063 4.300 8.300 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.143 4.618 7.297 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.675 3.817 5.810 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.683 5.709 4.925 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.267 6.368 6.495 1.00 0.00 H new ATOM 387 N ILE A 28 6.683 3.784 5.331 1.00 0.00 N ATOM 388 CA ILE A 28 5.508 4.079 4.521 1.00 0.00 C ATOM 389 C ILE A 28 4.252 4.158 5.383 1.00 0.00 C ATOM 390 O ILE A 28 3.299 4.860 5.046 1.00 0.00 O ATOM 391 CB ILE A 28 5.299 3.017 3.425 1.00 0.00 C ATOM 392 CG1 ILE A 28 6.403 3.117 2.370 1.00 0.00 C ATOM 393 CG2 ILE A 28 3.929 3.181 2.783 1.00 0.00 C ATOM 394 CD1 ILE A 28 6.240 2.137 1.230 1.00 0.00 C ATOM 0 H ILE A 28 7.357 3.161 4.886 1.00 0.00 H new ATOM 0 HA ILE A 28 5.684 5.046 4.050 1.00 0.00 H new ATOM 0 HB ILE A 28 5.348 2.029 3.883 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.419 4.130 1.968 1.00 0.00 H new ATOM 0 HG13 ILE A 28 7.368 2.948 2.848 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.796 2.423 2.011 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.155 3.065 3.542 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.853 4.172 2.336 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.058 2.265 0.521 1.00 0.00 H new ATOM 0 HD12 ILE A 28 6.254 1.119 1.620 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.291 2.320 0.726 1.00 0.00 H new ATOM 406 N ARG A 29 4.260 3.434 6.497 1.00 0.00 N ATOM 407 CA ARG A 29 3.122 3.422 7.408 1.00 0.00 C ATOM 408 C ARG A 29 3.299 4.460 8.513 1.00 0.00 C ATOM 409 O ARG A 29 2.355 5.161 8.879 1.00 0.00 O ATOM 410 CB ARG A 29 2.947 2.032 8.023 1.00 0.00 C ATOM 411 CG ARG A 29 2.507 0.975 7.023 1.00 0.00 C ATOM 412 CD ARG A 29 2.690 -0.428 7.579 1.00 0.00 C ATOM 413 NE ARG A 29 2.133 -0.561 8.923 1.00 0.00 N ATOM 414 CZ ARG A 29 2.013 -1.723 9.557 1.00 0.00 C ATOM 415 NH1 ARG A 29 2.408 -2.845 8.972 1.00 0.00 N ATOM 416 NH2 ARG A 29 1.497 -1.763 10.779 1.00 0.00 N ATOM 0 H ARG A 29 5.042 2.848 6.791 1.00 0.00 H new ATOM 0 HA ARG A 29 2.229 3.673 6.836 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.889 1.723 8.475 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.212 2.089 8.826 1.00 0.00 H new ATOM 0 HG2 ARG A 29 1.460 1.131 6.764 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.082 1.081 6.103 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.210 -1.147 6.915 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.752 -0.674 7.601 1.00 0.00 H new ATOM 0 HE ARG A 29 1.819 0.284 9.401 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.805 -2.818 8.033 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.315 -3.735 9.461 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.192 -0.902 11.232 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.405 -2.655 11.265 1.00 0.00 H new ATOM 430 N LYS A 30 4.515 4.552 9.041 1.00 0.00 N ATOM 431 CA LYS A 30 4.818 5.504 10.103 1.00 0.00 C ATOM 432 C LYS A 30 4.483 6.928 9.670 1.00 0.00 C ATOM 433 O LYS A 30 4.273 7.808 10.505 1.00 0.00 O ATOM 434 CB LYS A 30 6.295 5.412 10.493 1.00 0.00 C ATOM 435 CG LYS A 30 7.193 6.341 9.694 1.00 0.00 C ATOM 436 CD LYS A 30 8.634 6.267 10.169 1.00 0.00 C ATOM 437 CE LYS A 30 9.533 7.199 9.370 1.00 0.00 C ATOM 438 NZ LYS A 30 10.809 7.484 10.081 1.00 0.00 N ATOM 0 H LYS A 30 5.307 3.979 8.751 1.00 0.00 H new ATOM 0 HA LYS A 30 4.204 5.252 10.968 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.398 5.644 11.553 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.635 4.385 10.357 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.143 6.077 8.638 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.831 7.365 9.784 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.684 6.529 11.226 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.996 5.243 10.077 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.750 6.751 8.400 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.007 8.134 9.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.393 8.122 9.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.604 7.935 10.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.323 6.594 10.241 1.00 0.00 H new ATOM 452 N VAL A 31 4.433 7.147 8.360 1.00 0.00 N ATOM 453 CA VAL A 31 4.121 8.463 7.816 1.00 0.00 C ATOM 454 C VAL A 31 2.625 8.611 7.560 1.00 0.00 C ATOM 455 O VAL A 31 2.025 9.634 7.893 1.00 0.00 O ATOM 456 CB VAL A 31 4.884 8.723 6.504 1.00 0.00 C ATOM 457 CG1 VAL A 31 4.621 10.136 6.005 1.00 0.00 C ATOM 458 CG2 VAL A 31 6.373 8.486 6.698 1.00 0.00 C ATOM 0 H VAL A 31 4.605 6.430 7.656 1.00 0.00 H new ATOM 0 HA VAL A 31 4.433 9.196 8.560 1.00 0.00 H new ATOM 0 HB VAL A 31 4.524 8.024 5.749 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.168 10.302 5.077 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.554 10.266 5.825 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.952 10.854 6.755 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.897 8.674 5.761 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.752 9.160 7.467 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.540 7.454 7.006 1.00 0.00 H new ATOM 468 N LEU A 32 2.028 7.583 6.967 1.00 0.00 N ATOM 469 CA LEU A 32 0.600 7.598 6.666 1.00 0.00 C ATOM 470 C LEU A 32 -0.221 7.811 7.933 1.00 0.00 C ATOM 471 O LEU A 32 -0.846 8.856 8.112 1.00 0.00 O ATOM 472 CB LEU A 32 0.188 6.288 5.991 1.00 0.00 C ATOM 473 CG LEU A 32 0.610 6.123 4.531 1.00 0.00 C ATOM 474 CD1 LEU A 32 0.671 4.651 4.156 1.00 0.00 C ATOM 475 CD2 LEU A 32 -0.346 6.871 3.612 1.00 0.00 C ATOM 0 H LEU A 32 2.510 6.729 6.685 1.00 0.00 H new ATOM 0 HA LEU A 32 0.405 8.427 5.986 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.605 5.460 6.565 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.897 6.200 6.047 1.00 0.00 H new ATOM 0 HG LEU A 32 1.606 6.549 4.410 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.973 4.553 3.113 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.395 4.143 4.793 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.312 4.200 4.293 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.030 6.743 2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.354 6.475 3.736 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.339 7.931 3.865 1.00 0.00 H new ATOM 487 N GLY A 33 -0.214 6.814 8.812 1.00 0.00 N ATOM 488 CA GLY A 33 -0.961 6.913 10.053 1.00 0.00 C ATOM 489 C GLY A 33 -0.794 8.262 10.724 1.00 0.00 C ATOM 490 O GLY A 33 -1.676 8.713 11.453 1.00 0.00 O ATOM 0 H GLY A 33 0.296 5.939 8.687 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.018 6.739 9.852 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.633 6.128 10.735 1.00 0.00 H new ATOM 494 N ALA A 34 0.341 8.907 10.477 1.00 0.00 N ATOM 495 CA ALA A 34 0.621 10.213 11.062 1.00 0.00 C ATOM 496 C ALA A 34 -0.267 11.290 10.449 1.00 0.00 C ATOM 497 O ALA A 34 -0.776 12.163 11.152 1.00 0.00 O ATOM 498 CB ALA A 34 2.089 10.569 10.881 1.00 0.00 C ATOM 0 H ALA A 34 1.082 8.547 9.876 1.00 0.00 H new ATOM 0 HA ALA A 34 0.401 10.161 12.128 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.283 11.546 11.322 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.709 9.819 11.373 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.328 10.597 9.818 1.00 0.00 H new ATOM 504 N ASN A 35 -0.449 11.224 9.134 1.00 0.00 N ATOM 505 CA ASN A 35 -1.274 12.195 8.426 1.00 0.00 C ATOM 506 C ASN A 35 -2.741 11.775 8.440 1.00 0.00 C ATOM 507 O ASN A 35 -3.528 12.205 7.598 1.00 0.00 O ATOM 508 CB ASN A 35 -0.790 12.352 6.984 1.00 0.00 C ATOM 509 CG ASN A 35 0.487 13.164 6.887 1.00 0.00 C ATOM 510 OD1 ASN A 35 0.493 14.366 7.155 1.00 0.00 O ATOM 511 ND2 ASN A 35 1.577 12.510 6.504 1.00 0.00 N ATOM 0 H ASN A 35 -0.036 10.507 8.537 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.184 13.153 8.938 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.624 11.366 6.550 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.569 12.833 6.393 1.00 0.00 H new ATOM 0 HD21 ASN A 35 2.466 13.004 6.422 1.00 0.00 H new ATOM 0 HD22 ASN A 35 1.526 11.514 6.292 1.00 0.00 H new ATOM 518 N ASN A 36 -3.100 10.931 9.402 1.00 0.00 N ATOM 519 CA ASN A 36 -4.472 10.452 9.525 1.00 0.00 C ATOM 520 C ASN A 36 -4.883 9.655 8.291 1.00 0.00 C ATOM 521 O ASN A 36 -6.047 9.672 7.887 1.00 0.00 O ATOM 522 CB ASN A 36 -5.429 11.629 9.728 1.00 0.00 C ATOM 523 CG ASN A 36 -6.652 11.247 10.538 1.00 0.00 C ATOM 524 OD1 ASN A 36 -6.936 10.065 10.736 1.00 0.00 O ATOM 525 ND2 ASN A 36 -7.385 12.248 11.012 1.00 0.00 N ATOM 0 H ASN A 36 -2.460 10.565 10.107 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.525 9.795 10.394 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.902 12.439 10.231 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.744 12.009 8.756 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.220 12.052 11.564 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -7.113 13.213 10.824 1.00 0.00 H new ATOM 532 N CYS A 37 -3.922 8.958 7.697 1.00 0.00 N ATOM 533 CA CYS A 37 -4.183 8.154 6.508 1.00 0.00 C ATOM 534 C CYS A 37 -4.520 6.716 6.888 1.00 0.00 C ATOM 535 O CYS A 37 -4.116 6.231 7.945 1.00 0.00 O ATOM 536 CB CYS A 37 -2.971 8.177 5.575 1.00 0.00 C ATOM 537 SG CYS A 37 -2.797 9.708 4.630 1.00 0.00 S ATOM 0 H CYS A 37 -2.954 8.933 8.019 1.00 0.00 H new ATOM 0 HA CYS A 37 -5.040 8.584 5.989 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.068 8.023 6.166 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.045 7.340 4.880 1.00 0.00 H new ATOM 0 HG CYS A 37 -1.744 9.633 3.872 1.00 0.00 H new ATOM 543 N ASP A 38 -5.264 6.039 6.020 1.00 0.00 N ATOM 544 CA ASP A 38 -5.657 4.656 6.264 1.00 0.00 C ATOM 545 C ASP A 38 -4.934 3.710 5.310 1.00 0.00 C ATOM 546 O ASP A 38 -5.136 3.762 4.097 1.00 0.00 O ATOM 547 CB ASP A 38 -7.170 4.498 6.110 1.00 0.00 C ATOM 548 CG ASP A 38 -7.926 4.923 7.354 1.00 0.00 C ATOM 549 OD1 ASP A 38 -7.478 4.579 8.468 1.00 0.00 O ATOM 550 OD2 ASP A 38 -8.966 5.600 7.213 1.00 0.00 O ATOM 0 H ASP A 38 -5.607 6.426 5.141 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.376 4.399 7.285 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.510 5.092 5.261 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -7.403 3.457 5.885 1.00 0.00 H new ATOM 555 N TYR A 39 -4.092 2.847 5.867 1.00 0.00 N ATOM 556 CA TYR A 39 -3.337 1.891 5.066 1.00 0.00 C ATOM 557 C TYR A 39 -3.822 0.466 5.316 1.00 0.00 C ATOM 558 O TYR A 39 -4.346 0.157 6.386 1.00 0.00 O ATOM 559 CB TYR A 39 -1.844 1.996 5.381 1.00 0.00 C ATOM 560 CG TYR A 39 -1.512 1.733 6.833 1.00 0.00 C ATOM 561 CD1 TYR A 39 -1.515 2.764 7.764 1.00 0.00 C ATOM 562 CD2 TYR A 39 -1.194 0.454 7.273 1.00 0.00 C ATOM 563 CE1 TYR A 39 -1.212 2.529 9.091 1.00 0.00 C ATOM 564 CE2 TYR A 39 -0.891 0.210 8.598 1.00 0.00 C ATOM 565 CZ TYR A 39 -0.901 1.250 9.503 1.00 0.00 C ATOM 566 OH TYR A 39 -0.598 1.011 10.824 1.00 0.00 O ATOM 0 H TYR A 39 -3.915 2.790 6.870 1.00 0.00 H new ATOM 0 HA TYR A 39 -3.498 2.131 4.015 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.299 1.287 4.758 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.493 2.992 5.111 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.758 3.767 7.445 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.184 -0.363 6.567 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.219 3.342 9.802 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.647 -0.791 8.924 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.638 0.048 11.000 1.00 0.00 H new ATOM 576 N GLU A 40 -3.642 -0.397 4.321 1.00 0.00 N ATOM 577 CA GLU A 40 -4.062 -1.789 4.433 1.00 0.00 C ATOM 578 C GLU A 40 -3.017 -2.722 3.828 1.00 0.00 C ATOM 579 O GLU A 40 -2.213 -2.311 2.992 1.00 0.00 O ATOM 580 CB GLU A 40 -5.410 -1.996 3.740 1.00 0.00 C ATOM 581 CG GLU A 40 -6.048 -3.342 4.039 1.00 0.00 C ATOM 582 CD GLU A 40 -6.079 -3.657 5.522 1.00 0.00 C ATOM 583 OE1 GLU A 40 -6.510 -2.784 6.304 1.00 0.00 O ATOM 584 OE2 GLU A 40 -5.672 -4.775 5.901 1.00 0.00 O ATOM 0 H GLU A 40 -3.209 -0.157 3.429 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.167 -2.027 5.492 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.092 -1.204 4.047 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.274 -1.899 2.663 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.065 -3.352 3.648 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.498 -4.125 3.517 1.00 0.00 H new ATOM 591 N GLN A 41 -3.037 -3.980 4.257 1.00 0.00 N ATOM 592 CA GLN A 41 -2.091 -4.972 3.758 1.00 0.00 C ATOM 593 C GLN A 41 -2.625 -5.649 2.500 1.00 0.00 C ATOM 594 O GLN A 41 -3.354 -6.637 2.578 1.00 0.00 O ATOM 595 CB GLN A 41 -1.804 -6.021 4.834 1.00 0.00 C ATOM 596 CG GLN A 41 -0.428 -6.655 4.715 1.00 0.00 C ATOM 597 CD GLN A 41 -0.339 -7.644 3.570 1.00 0.00 C ATOM 598 OE1 GLN A 41 -1.281 -8.391 3.305 1.00 0.00 O ATOM 599 NE2 GLN A 41 0.798 -7.655 2.883 1.00 0.00 N ATOM 0 H GLN A 41 -3.697 -4.336 4.948 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.164 -4.458 3.506 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.897 -5.557 5.816 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -2.561 -6.803 4.778 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.317 -5.873 4.573 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.184 -7.162 5.648 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.553 -7.018 3.137 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.916 -8.300 2.102 1.00 0.00 H new ATOM 608 N ARG A 42 -2.256 -5.110 1.342 1.00 0.00 N ATOM 609 CA ARG A 42 -2.700 -5.662 0.068 1.00 0.00 C ATOM 610 C ARG A 42 -1.824 -6.839 -0.349 1.00 0.00 C ATOM 611 O ARG A 42 -2.235 -7.995 -0.255 1.00 0.00 O ATOM 612 CB ARG A 42 -2.672 -4.582 -1.016 1.00 0.00 C ATOM 613 CG ARG A 42 -3.939 -3.745 -1.074 1.00 0.00 C ATOM 614 CD ARG A 42 -5.167 -4.608 -1.323 1.00 0.00 C ATOM 615 NE ARG A 42 -5.761 -5.086 -0.078 1.00 0.00 N ATOM 616 CZ ARG A 42 -6.587 -6.124 -0.009 1.00 0.00 C ATOM 617 NH1 ARG A 42 -6.913 -6.790 -1.109 1.00 0.00 N ATOM 618 NH2 ARG A 42 -7.087 -6.499 1.161 1.00 0.00 N ATOM 0 H ARG A 42 -1.651 -4.293 1.260 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.723 -6.018 0.191 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -1.820 -3.925 -0.840 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.515 -5.056 -1.985 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.060 -3.200 -0.138 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.849 -3.001 -1.866 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.907 -4.034 -1.881 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -4.891 -5.460 -1.944 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.529 -4.596 0.786 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.529 -6.505 -2.010 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -7.547 -7.587 -1.054 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.837 -5.990 2.009 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.721 -7.296 1.213 1.00 0.00 H new ATOM 632 N GLU A 43 -0.614 -6.536 -0.811 1.00 0.00 N ATOM 633 CA GLU A 43 0.319 -7.570 -1.243 1.00 0.00 C ATOM 634 C GLU A 43 1.555 -7.595 -0.349 1.00 0.00 C ATOM 635 O GLU A 43 1.714 -6.752 0.533 1.00 0.00 O ATOM 636 CB GLU A 43 0.732 -7.339 -2.698 1.00 0.00 C ATOM 637 CG GLU A 43 -0.434 -7.018 -3.618 1.00 0.00 C ATOM 638 CD GLU A 43 -0.087 -7.201 -5.084 1.00 0.00 C ATOM 639 OE1 GLU A 43 0.822 -8.002 -5.384 1.00 0.00 O ATOM 640 OE2 GLU A 43 -0.726 -6.541 -5.930 1.00 0.00 O ATOM 0 H GLU A 43 -0.258 -5.584 -0.895 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.184 -8.534 -1.164 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.451 -6.521 -2.737 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.241 -8.229 -3.068 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.279 -7.659 -3.365 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.753 -5.989 -3.449 1.00 0.00 H new ATOM 647 N ARG A 44 2.428 -8.569 -0.585 1.00 0.00 N ATOM 648 CA ARG A 44 3.650 -8.707 0.199 1.00 0.00 C ATOM 649 C ARG A 44 4.296 -7.346 0.441 1.00 0.00 C ATOM 650 O ARG A 44 4.561 -6.966 1.582 1.00 0.00 O ATOM 651 CB ARG A 44 4.637 -9.633 -0.513 1.00 0.00 C ATOM 652 CG ARG A 44 4.294 -11.108 -0.378 1.00 0.00 C ATOM 653 CD ARG A 44 5.391 -11.990 -0.954 1.00 0.00 C ATOM 654 NE ARG A 44 5.257 -12.158 -2.398 1.00 0.00 N ATOM 655 CZ ARG A 44 6.206 -12.678 -3.169 1.00 0.00 C ATOM 656 NH1 ARG A 44 7.352 -13.078 -2.636 1.00 0.00 N ATOM 657 NH2 ARG A 44 6.009 -12.798 -4.475 1.00 0.00 N ATOM 0 H ARG A 44 2.312 -9.274 -1.313 1.00 0.00 H new ATOM 0 HA ARG A 44 3.386 -9.142 1.163 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.669 -9.371 -1.571 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.636 -9.463 -0.112 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.143 -11.353 0.673 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.354 -11.313 -0.891 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.364 -11.552 -0.729 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.362 -12.967 -0.471 1.00 0.00 H new ATOM 0 HE ARG A 44 4.387 -11.860 -2.839 1.00 0.00 H new ATOM 0 HH11 ARG A 44 7.507 -12.987 -1.632 1.00 0.00 H new ATOM 0 HH12 ARG A 44 8.079 -13.477 -3.230 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.128 -12.491 -4.888 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.738 -13.197 -5.066 1.00 0.00 H new ATOM 671 N PHE A 45 4.549 -6.616 -0.640 1.00 0.00 N ATOM 672 CA PHE A 45 5.166 -5.298 -0.547 1.00 0.00 C ATOM 673 C PHE A 45 4.256 -4.228 -1.143 1.00 0.00 C ATOM 674 O PHE A 45 4.728 -3.250 -1.724 1.00 0.00 O ATOM 675 CB PHE A 45 6.517 -5.292 -1.264 1.00 0.00 C ATOM 676 CG PHE A 45 7.567 -6.114 -0.571 1.00 0.00 C ATOM 677 CD1 PHE A 45 7.616 -7.487 -0.744 1.00 0.00 C ATOM 678 CD2 PHE A 45 8.504 -5.512 0.253 1.00 0.00 C ATOM 679 CE1 PHE A 45 8.581 -8.246 -0.109 1.00 0.00 C ATOM 680 CE2 PHE A 45 9.472 -6.265 0.891 1.00 0.00 C ATOM 681 CZ PHE A 45 9.510 -7.634 0.710 1.00 0.00 C ATOM 0 H PHE A 45 4.336 -6.915 -1.592 1.00 0.00 H new ATOM 0 HA PHE A 45 5.322 -5.071 0.508 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.383 -5.668 -2.278 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.869 -4.264 -1.350 1.00 0.00 H new ATOM 0 HD1 PHE A 45 6.892 -7.971 -1.383 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.478 -4.442 0.399 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.609 -9.316 -0.253 1.00 0.00 H new ATOM 0 HE2 PHE A 45 10.198 -5.784 1.530 1.00 0.00 H new ATOM 0 HZ PHE A 45 10.265 -8.225 1.208 1.00 0.00 H new ATOM 691 N LEU A 46 2.950 -4.421 -0.995 1.00 0.00 N ATOM 692 CA LEU A 46 1.973 -3.473 -1.519 1.00 0.00 C ATOM 693 C LEU A 46 0.889 -3.182 -0.486 1.00 0.00 C ATOM 694 O LEU A 46 0.414 -4.086 0.203 1.00 0.00 O ATOM 695 CB LEU A 46 1.340 -4.019 -2.800 1.00 0.00 C ATOM 696 CG LEU A 46 0.735 -2.980 -3.745 1.00 0.00 C ATOM 697 CD1 LEU A 46 0.820 -3.457 -5.187 1.00 0.00 C ATOM 698 CD2 LEU A 46 -0.708 -2.687 -3.363 1.00 0.00 C ATOM 0 H LEU A 46 2.543 -5.225 -0.517 1.00 0.00 H new ATOM 0 HA LEU A 46 2.492 -2.542 -1.746 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.099 -4.579 -3.346 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.559 -4.727 -2.522 1.00 0.00 H new ATOM 0 HG LEU A 46 1.308 -2.057 -3.654 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.385 -2.705 -5.845 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.864 -3.615 -5.457 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.272 -4.393 -5.293 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.122 -1.946 -4.046 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.294 -3.604 -3.424 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.744 -2.301 -2.344 1.00 0.00 H new ATOM 710 N LEU A 47 0.500 -1.916 -0.385 1.00 0.00 N ATOM 711 CA LEU A 47 -0.531 -1.506 0.562 1.00 0.00 C ATOM 712 C LEU A 47 -1.507 -0.528 -0.085 1.00 0.00 C ATOM 713 O LEU A 47 -1.206 0.075 -1.115 1.00 0.00 O ATOM 714 CB LEU A 47 0.108 -0.865 1.796 1.00 0.00 C ATOM 715 CG LEU A 47 1.262 -1.640 2.433 1.00 0.00 C ATOM 716 CD1 LEU A 47 2.057 -0.741 3.367 1.00 0.00 C ATOM 717 CD2 LEU A 47 0.738 -2.858 3.180 1.00 0.00 C ATOM 0 H LEU A 47 0.883 -1.156 -0.947 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.084 -2.395 0.867 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.470 0.125 1.520 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.667 -0.722 2.549 1.00 0.00 H new ATOM 0 HG LEU A 47 1.926 -1.983 1.640 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.874 -1.310 3.811 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.464 0.099 2.804 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.404 -0.368 4.156 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.573 -3.398 3.627 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.052 -2.537 3.964 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.213 -3.513 2.485 1.00 0.00 H new ATOM 729 N PHE A 48 -2.676 -0.375 0.528 1.00 0.00 N ATOM 730 CA PHE A 48 -3.696 0.531 0.013 1.00 0.00 C ATOM 731 C PHE A 48 -3.927 1.694 0.974 1.00 0.00 C ATOM 732 O PHE A 48 -4.366 1.498 2.108 1.00 0.00 O ATOM 733 CB PHE A 48 -5.008 -0.222 -0.218 1.00 0.00 C ATOM 734 CG PHE A 48 -5.949 0.484 -1.151 1.00 0.00 C ATOM 735 CD1 PHE A 48 -6.697 1.566 -0.714 1.00 0.00 C ATOM 736 CD2 PHE A 48 -6.087 0.066 -2.465 1.00 0.00 C ATOM 737 CE1 PHE A 48 -7.563 2.219 -1.570 1.00 0.00 C ATOM 738 CE2 PHE A 48 -6.952 0.716 -3.326 1.00 0.00 C ATOM 739 CZ PHE A 48 -7.692 1.792 -2.878 1.00 0.00 C ATOM 0 H PHE A 48 -2.941 -0.867 1.382 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.343 0.932 -0.937 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.784 -1.210 -0.620 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.505 -0.373 0.741 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.602 1.903 0.308 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -5.513 -0.777 -2.820 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -8.138 3.062 -1.217 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -7.049 0.382 -4.349 1.00 0.00 H new ATOM 0 HZ PHE A 48 -8.370 2.299 -3.548 1.00 0.00 H new ATOM 749 N CYS A 49 -3.627 2.903 0.512 1.00 0.00 N ATOM 750 CA CYS A 49 -3.800 4.098 1.330 1.00 0.00 C ATOM 751 C CYS A 49 -5.142 4.764 1.043 1.00 0.00 C ATOM 752 O CYS A 49 -5.671 4.667 -0.064 1.00 0.00 O ATOM 753 CB CYS A 49 -2.661 5.086 1.073 1.00 0.00 C ATOM 754 SG CYS A 49 -1.024 4.323 0.998 1.00 0.00 S ATOM 0 H CYS A 49 -3.263 3.081 -0.424 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.781 3.797 2.378 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.851 5.606 0.134 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -2.663 5.839 1.861 1.00 0.00 H new ATOM 0 HG CYS A 49 -0.997 3.448 0.037 1.00 0.00 H new ATOM 760 N VAL A 50 -5.689 5.439 2.049 1.00 0.00 N ATOM 761 CA VAL A 50 -6.970 6.120 1.906 1.00 0.00 C ATOM 762 C VAL A 50 -7.009 7.397 2.739 1.00 0.00 C ATOM 763 O VAL A 50 -6.833 7.362 3.957 1.00 0.00 O ATOM 764 CB VAL A 50 -8.140 5.211 2.325 1.00 0.00 C ATOM 765 CG1 VAL A 50 -9.402 6.030 2.544 1.00 0.00 C ATOM 766 CG2 VAL A 50 -8.372 4.127 1.283 1.00 0.00 C ATOM 0 H VAL A 50 -5.265 5.529 2.972 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.077 6.373 0.851 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.882 4.728 3.267 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.217 5.370 2.839 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.227 6.765 3.330 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.668 6.543 1.620 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.202 3.494 1.595 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.608 4.589 0.324 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.472 3.521 1.182 1.00 0.00 H new ATOM 776 N HIS A 51 -7.243 8.524 2.074 1.00 0.00 N ATOM 777 CA HIS A 51 -7.307 9.813 2.753 1.00 0.00 C ATOM 778 C HIS A 51 -8.386 10.699 2.137 1.00 0.00 C ATOM 779 O HIS A 51 -8.617 10.663 0.929 1.00 0.00 O ATOM 780 CB HIS A 51 -5.952 10.518 2.684 1.00 0.00 C ATOM 781 CG HIS A 51 -5.703 11.451 3.828 1.00 0.00 C ATOM 782 ND1 HIS A 51 -5.337 12.770 3.658 1.00 0.00 N ATOM 783 CD2 HIS A 51 -5.772 11.251 5.165 1.00 0.00 C ATOM 784 CE1 HIS A 51 -5.189 13.340 4.840 1.00 0.00 C ATOM 785 NE2 HIS A 51 -5.448 12.440 5.772 1.00 0.00 N ATOM 0 H HIS A 51 -7.391 8.571 1.066 1.00 0.00 H new ATOM 0 HA HIS A 51 -7.562 9.633 3.797 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.162 9.767 2.660 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -5.890 11.077 1.750 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -6.033 10.328 5.662 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -4.905 14.367 5.015 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -5.413 12.602 6.778 1.00 0.00 H new ATOM 794 N GLY A 52 -9.044 11.492 2.976 1.00 0.00 N ATOM 795 CA GLY A 52 -10.091 12.375 2.496 1.00 0.00 C ATOM 796 C GLY A 52 -9.831 13.827 2.845 1.00 0.00 C ATOM 797 O GLY A 52 -10.652 14.472 3.496 1.00 0.00 O ATOM 0 H GLY A 52 -8.871 11.539 3.980 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.179 12.275 1.414 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.045 12.067 2.923 1.00 0.00 H new ATOM 801 N ASP A 53 -8.686 14.341 2.412 1.00 0.00 N ATOM 802 CA ASP A 53 -8.319 15.726 2.683 1.00 0.00 C ATOM 803 C ASP A 53 -9.527 16.647 2.538 1.00 0.00 C ATOM 804 O ASP A 53 -9.668 17.623 3.273 1.00 0.00 O ATOM 805 CB ASP A 53 -7.204 16.176 1.737 1.00 0.00 C ATOM 806 CG ASP A 53 -6.954 17.669 1.805 1.00 0.00 C ATOM 807 OD1 ASP A 53 -7.735 18.430 1.196 1.00 0.00 O ATOM 808 OD2 ASP A 53 -5.976 18.078 2.467 1.00 0.00 O ATOM 0 H ASP A 53 -7.996 13.820 1.872 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.960 15.786 3.710 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.285 15.645 1.985 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.465 15.901 0.715 1.00 0.00 H new ATOM 813 N GLY A 54 -10.397 16.328 1.585 1.00 0.00 N ATOM 814 CA GLY A 54 -11.581 17.136 1.360 1.00 0.00 C ATOM 815 C GLY A 54 -12.832 16.506 1.939 1.00 0.00 C ATOM 816 O GLY A 54 -12.866 16.143 3.116 1.00 0.00 O ATOM 0 H GLY A 54 -10.303 15.524 0.964 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.435 18.121 1.804 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -11.716 17.286 0.289 1.00 0.00 H new ATOM 820 N HIS A 55 -13.865 16.376 1.112 1.00 0.00 N ATOM 821 CA HIS A 55 -15.125 15.785 1.550 1.00 0.00 C ATOM 822 C HIS A 55 -15.172 14.297 1.217 1.00 0.00 C ATOM 823 O HIS A 55 -14.356 13.799 0.442 1.00 0.00 O ATOM 824 CB HIS A 55 -16.304 16.505 0.894 1.00 0.00 C ATOM 825 CG HIS A 55 -16.716 17.755 1.608 1.00 0.00 C ATOM 826 ND1 HIS A 55 -17.614 17.763 2.654 1.00 0.00 N ATOM 827 CD2 HIS A 55 -16.345 19.043 1.423 1.00 0.00 C ATOM 828 CE1 HIS A 55 -17.780 19.002 3.081 1.00 0.00 C ATOM 829 NE2 HIS A 55 -17.020 19.799 2.351 1.00 0.00 N ATOM 0 H HIS A 55 -13.854 16.672 0.136 1.00 0.00 H new ATOM 0 HA HIS A 55 -15.196 15.899 2.632 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -16.040 16.754 -0.134 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -17.155 15.825 0.849 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -15.648 19.409 0.684 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -18.427 19.311 3.889 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -16.946 20.811 2.459 1.00 0.00 H new ATOM 838 N ALA A 56 -16.133 13.594 1.807 1.00 0.00 N ATOM 839 CA ALA A 56 -16.287 12.164 1.572 1.00 0.00 C ATOM 840 C ALA A 56 -16.363 11.858 0.080 1.00 0.00 C ATOM 841 O ALA A 56 -15.618 11.022 -0.429 1.00 0.00 O ATOM 842 CB ALA A 56 -17.526 11.643 2.284 1.00 0.00 C ATOM 0 H ALA A 56 -16.817 13.992 2.451 1.00 0.00 H new ATOM 0 HA ALA A 56 -15.410 11.658 1.975 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -17.629 10.574 2.100 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -17.431 11.819 3.355 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -18.407 12.162 1.908 1.00 0.00 H new ATOM 848 N GLU A 57 -17.269 12.540 -0.613 1.00 0.00 N ATOM 849 CA GLU A 57 -17.442 12.338 -2.047 1.00 0.00 C ATOM 850 C GLU A 57 -16.204 12.793 -2.814 1.00 0.00 C ATOM 851 O GLU A 57 -16.102 12.592 -4.024 1.00 0.00 O ATOM 852 CB GLU A 57 -18.673 13.099 -2.546 1.00 0.00 C ATOM 853 CG GLU A 57 -18.413 14.574 -2.804 1.00 0.00 C ATOM 854 CD GLU A 57 -19.673 15.331 -3.178 1.00 0.00 C ATOM 855 OE1 GLU A 57 -20.620 15.345 -2.364 1.00 0.00 O ATOM 856 OE2 GLU A 57 -19.712 15.908 -4.284 1.00 0.00 O ATOM 0 H GLU A 57 -17.894 13.236 -0.206 1.00 0.00 H new ATOM 0 HA GLU A 57 -17.586 11.272 -2.223 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -19.028 12.635 -3.466 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -19.472 13.003 -1.811 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -17.975 15.023 -1.913 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -17.681 14.676 -3.605 1.00 0.00 H new ATOM 863 N ASN A 58 -15.266 13.407 -2.101 1.00 0.00 N ATOM 864 CA ASN A 58 -14.034 13.892 -2.714 1.00 0.00 C ATOM 865 C ASN A 58 -12.817 13.199 -2.110 1.00 0.00 C ATOM 866 O ASN A 58 -11.716 13.752 -2.098 1.00 0.00 O ATOM 867 CB ASN A 58 -13.913 15.407 -2.536 1.00 0.00 C ATOM 868 CG ASN A 58 -14.924 16.170 -3.369 1.00 0.00 C ATOM 869 OD1 ASN A 58 -16.134 16.320 -2.841 1.00 0.00 O flip ATOM 870 ND2 ASN A 58 -14.622 16.619 -4.475 1.00 0.00 N flip ATOM 0 H ASN A 58 -15.335 13.581 -1.098 1.00 0.00 H new ATOM 0 HA ASN A 58 -14.071 13.660 -3.778 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -14.049 15.658 -1.484 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -12.907 15.723 -2.811 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -13.680 16.480 -4.842 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -15.313 17.130 -5.024 1.00 0.00 H new ATOM 877 N LEU A 59 -13.021 11.985 -1.611 1.00 0.00 N ATOM 878 CA LEU A 59 -11.940 11.214 -1.006 1.00 0.00 C ATOM 879 C LEU A 59 -10.936 10.764 -2.061 1.00 0.00 C ATOM 880 O LEU A 59 -11.280 10.601 -3.232 1.00 0.00 O ATOM 881 CB LEU A 59 -12.504 9.998 -0.270 1.00 0.00 C ATOM 882 CG LEU A 59 -11.566 9.325 0.732 1.00 0.00 C ATOM 883 CD1 LEU A 59 -12.362 8.640 1.832 1.00 0.00 C ATOM 884 CD2 LEU A 59 -10.660 8.326 0.026 1.00 0.00 C ATOM 0 H LEU A 59 -13.925 11.513 -1.613 1.00 0.00 H new ATOM 0 HA LEU A 59 -11.425 11.856 -0.292 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -13.407 10.305 0.258 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -12.804 9.257 -1.011 1.00 0.00 H new ATOM 0 HG LEU A 59 -10.942 10.093 1.188 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -11.677 8.167 2.536 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -12.968 9.379 2.357 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -13.012 7.883 1.393 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.999 7.856 0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -11.268 7.562 -0.458 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -10.063 8.844 -0.725 1.00 0.00 H new ATOM 896 N VAL A 60 -9.692 10.561 -1.639 1.00 0.00 N ATOM 897 CA VAL A 60 -8.637 10.126 -2.547 1.00 0.00 C ATOM 898 C VAL A 60 -8.024 8.809 -2.085 1.00 0.00 C ATOM 899 O VAL A 60 -7.664 8.656 -0.918 1.00 0.00 O ATOM 900 CB VAL A 60 -7.525 11.185 -2.664 1.00 0.00 C ATOM 901 CG1 VAL A 60 -6.262 10.570 -3.249 1.00 0.00 C ATOM 902 CG2 VAL A 60 -7.995 12.360 -3.507 1.00 0.00 C ATOM 0 H VAL A 60 -9.390 10.691 -0.673 1.00 0.00 H new ATOM 0 HA VAL A 60 -9.098 9.986 -3.525 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.292 11.554 -1.665 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.487 11.333 -3.324 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.916 9.764 -2.602 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.477 10.172 -4.241 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.197 13.099 -3.579 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.257 12.010 -4.506 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.869 12.815 -3.042 1.00 0.00 H new ATOM 912 N GLN A 61 -7.907 7.861 -3.009 1.00 0.00 N ATOM 913 CA GLN A 61 -7.337 6.556 -2.696 1.00 0.00 C ATOM 914 C GLN A 61 -6.157 6.244 -3.611 1.00 0.00 C ATOM 915 O GLN A 61 -6.224 6.459 -4.821 1.00 0.00 O ATOM 916 CB GLN A 61 -8.402 5.466 -2.828 1.00 0.00 C ATOM 917 CG GLN A 61 -9.561 5.628 -1.858 1.00 0.00 C ATOM 918 CD GLN A 61 -10.632 4.571 -2.047 1.00 0.00 C ATOM 919 OE1 GLN A 61 -10.946 4.183 -3.172 1.00 0.00 O ATOM 920 NE2 GLN A 61 -11.199 4.099 -0.943 1.00 0.00 N ATOM 0 H GLN A 61 -8.199 7.972 -3.980 1.00 0.00 H new ATOM 0 HA GLN A 61 -6.979 6.581 -1.667 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -8.789 5.469 -3.847 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -7.937 4.494 -2.666 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -9.184 5.580 -0.836 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -10.003 6.616 -1.988 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -10.908 4.449 -0.030 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -11.926 3.386 -1.008 1.00 0.00 H new ATOM 929 N TRP A 62 -5.079 5.735 -3.025 1.00 0.00 N ATOM 930 CA TRP A 62 -3.884 5.394 -3.789 1.00 0.00 C ATOM 931 C TRP A 62 -3.132 4.240 -3.135 1.00 0.00 C ATOM 932 O TRP A 62 -3.173 4.073 -1.916 1.00 0.00 O ATOM 933 CB TRP A 62 -2.967 6.612 -3.912 1.00 0.00 C ATOM 934 CG TRP A 62 -2.255 6.951 -2.637 1.00 0.00 C ATOM 935 CD1 TRP A 62 -0.984 6.594 -2.288 1.00 0.00 C ATOM 936 CD2 TRP A 62 -2.775 7.713 -1.542 1.00 0.00 C ATOM 937 NE1 TRP A 62 -0.682 7.087 -1.042 1.00 0.00 N ATOM 938 CE2 TRP A 62 -1.764 7.778 -0.563 1.00 0.00 C ATOM 939 CE3 TRP A 62 -3.995 8.348 -1.293 1.00 0.00 C ATOM 940 CZ2 TRP A 62 -1.938 8.452 0.643 1.00 0.00 C ATOM 941 CZ3 TRP A 62 -4.166 9.016 -0.096 1.00 0.00 C ATOM 942 CH2 TRP A 62 -3.142 9.065 0.860 1.00 0.00 C ATOM 0 H TRP A 62 -5.008 5.549 -2.025 1.00 0.00 H new ATOM 0 HA TRP A 62 -4.196 5.082 -4.785 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -2.230 6.425 -4.693 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -3.557 7.472 -4.230 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -0.314 6.010 -2.902 1.00 0.00 H new ATOM 0 HE1 TRP A 62 0.204 6.959 -0.553 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -4.790 8.317 -2.023 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -1.150 8.490 1.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -5.105 9.509 0.107 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -3.306 9.597 1.786 1.00 0.00 H new ATOM 953 N GLU A 63 -2.445 3.448 -3.952 1.00 0.00 N ATOM 954 CA GLU A 63 -1.685 2.309 -3.451 1.00 0.00 C ATOM 955 C GLU A 63 -0.219 2.682 -3.247 1.00 0.00 C ATOM 956 O GLU A 63 0.220 3.760 -3.646 1.00 0.00 O ATOM 957 CB GLU A 63 -1.792 1.129 -4.420 1.00 0.00 C ATOM 958 CG GLU A 63 -3.224 0.727 -4.732 1.00 0.00 C ATOM 959 CD GLU A 63 -3.304 -0.476 -5.652 1.00 0.00 C ATOM 960 OE1 GLU A 63 -3.315 -1.615 -5.140 1.00 0.00 O ATOM 961 OE2 GLU A 63 -3.354 -0.278 -6.884 1.00 0.00 O ATOM 0 H GLU A 63 -2.399 3.574 -4.963 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.107 2.018 -2.489 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.285 1.386 -5.350 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.267 0.273 -3.996 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.746 0.504 -3.801 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.741 1.568 -5.194 1.00 0.00 H new ATOM 968 N MET A 64 0.532 1.781 -2.621 1.00 0.00 N ATOM 969 CA MET A 64 1.949 2.015 -2.364 1.00 0.00 C ATOM 970 C MET A 64 2.732 0.707 -2.409 1.00 0.00 C ATOM 971 O MET A 64 2.508 -0.189 -1.596 1.00 0.00 O ATOM 972 CB MET A 64 2.138 2.689 -1.004 1.00 0.00 C ATOM 973 CG MET A 64 1.666 4.134 -0.971 1.00 0.00 C ATOM 974 SD MET A 64 2.864 5.273 -1.692 1.00 0.00 S ATOM 975 CE MET A 64 3.902 5.614 -0.273 1.00 0.00 C ATOM 0 H MET A 64 0.184 0.884 -2.283 1.00 0.00 H new ATOM 0 HA MET A 64 2.330 2.674 -3.144 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.596 2.121 -0.248 1.00 0.00 H new ATOM 0 HB3 MET A 64 3.193 2.654 -0.734 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.722 4.216 -1.510 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.470 4.425 0.061 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.580 6.435 -0.507 1.00 0.00 H new ATOM 0 HE2 MET A 64 3.278 5.890 0.577 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.481 4.725 -0.024 1.00 0.00 H new ATOM 985 N GLU A 65 3.651 0.605 -3.365 1.00 0.00 N ATOM 986 CA GLU A 65 4.466 -0.595 -3.515 1.00 0.00 C ATOM 987 C GLU A 65 5.946 -0.238 -3.619 1.00 0.00 C ATOM 988 O GLU A 65 6.310 0.779 -4.209 1.00 0.00 O ATOM 989 CB GLU A 65 4.031 -1.382 -4.753 1.00 0.00 C ATOM 990 CG GLU A 65 5.013 -2.467 -5.160 1.00 0.00 C ATOM 991 CD GLU A 65 4.740 -3.010 -6.550 1.00 0.00 C ATOM 992 OE1 GLU A 65 3.866 -3.892 -6.681 1.00 0.00 O ATOM 993 OE2 GLU A 65 5.401 -2.553 -7.505 1.00 0.00 O ATOM 0 H GLU A 65 3.849 1.338 -4.046 1.00 0.00 H new ATOM 0 HA GLU A 65 4.321 -1.215 -2.630 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.059 -1.837 -4.561 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.901 -0.691 -5.586 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.026 -2.067 -5.123 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.966 -3.283 -4.439 1.00 0.00 H new ATOM 1000 N VAL A 66 6.794 -1.082 -3.041 1.00 0.00 N ATOM 1001 CA VAL A 66 8.234 -0.857 -3.069 1.00 0.00 C ATOM 1002 C VAL A 66 8.898 -1.678 -4.170 1.00 0.00 C ATOM 1003 O VAL A 66 9.149 -2.872 -4.002 1.00 0.00 O ATOM 1004 CB VAL A 66 8.884 -1.211 -1.718 1.00 0.00 C ATOM 1005 CG1 VAL A 66 10.398 -1.258 -1.849 1.00 0.00 C ATOM 1006 CG2 VAL A 66 8.463 -0.215 -0.648 1.00 0.00 C ATOM 0 H VAL A 66 6.509 -1.928 -2.548 1.00 0.00 H new ATOM 0 HA VAL A 66 8.384 0.204 -3.270 1.00 0.00 H new ATOM 0 HB VAL A 66 8.540 -2.200 -1.417 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.839 -1.510 -0.884 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.676 -2.014 -2.583 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.766 -0.284 -2.173 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.931 -0.480 0.300 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.777 0.787 -0.940 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.379 -0.238 -0.536 1.00 0.00 H new ATOM 1016 N CYS A 67 9.180 -1.029 -5.294 1.00 0.00 N ATOM 1017 CA CYS A 67 9.815 -1.699 -6.424 1.00 0.00 C ATOM 1018 C CYS A 67 11.211 -1.139 -6.673 1.00 0.00 C ATOM 1019 O CYS A 67 11.583 -0.102 -6.123 1.00 0.00 O ATOM 1020 CB CYS A 67 8.958 -1.545 -7.682 1.00 0.00 C ATOM 1021 SG CYS A 67 9.115 -2.913 -8.854 1.00 0.00 S ATOM 0 H CYS A 67 8.979 -0.041 -5.448 1.00 0.00 H new ATOM 0 HA CYS A 67 9.906 -2.758 -6.183 1.00 0.00 H new ATOM 0 HB2 CYS A 67 7.913 -1.451 -7.387 1.00 0.00 H new ATOM 0 HB3 CYS A 67 9.232 -0.617 -8.184 1.00 0.00 H new ATOM 0 HG CYS A 67 8.351 -2.693 -9.883 1.00 0.00 H new ATOM 1027 N LYS A 68 11.981 -1.832 -7.505 1.00 0.00 N ATOM 1028 CA LYS A 68 13.338 -1.405 -7.828 1.00 0.00 C ATOM 1029 C LYS A 68 13.424 -0.910 -9.268 1.00 0.00 C ATOM 1030 O LYS A 68 12.641 -1.323 -10.125 1.00 0.00 O ATOM 1031 CB LYS A 68 14.321 -2.558 -7.613 1.00 0.00 C ATOM 1032 CG LYS A 68 14.095 -3.733 -8.549 1.00 0.00 C ATOM 1033 CD LYS A 68 15.065 -4.867 -8.265 1.00 0.00 C ATOM 1034 CE LYS A 68 16.456 -4.558 -8.798 1.00 0.00 C ATOM 1035 NZ LYS A 68 17.295 -3.859 -7.786 1.00 0.00 N ATOM 0 H LYS A 68 11.689 -2.692 -7.968 1.00 0.00 H new ATOM 0 HA LYS A 68 13.602 -0.582 -7.164 1.00 0.00 H new ATOM 0 HB2 LYS A 68 15.337 -2.188 -7.747 1.00 0.00 H new ATOM 0 HB3 LYS A 68 14.242 -2.905 -6.583 1.00 0.00 H new ATOM 0 HG2 LYS A 68 13.072 -4.093 -8.442 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.211 -3.404 -9.582 1.00 0.00 H new ATOM 0 HD2 LYS A 68 15.117 -5.042 -7.190 1.00 0.00 H new ATOM 0 HD3 LYS A 68 14.696 -5.786 -8.720 1.00 0.00 H new ATOM 0 HE2 LYS A 68 16.945 -5.485 -9.097 1.00 0.00 H new ATOM 0 HE3 LYS A 68 16.373 -3.939 -9.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 17.683 -2.987 -8.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 16.713 -3.620 -6.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 18.076 -4.481 -7.493 1.00 0.00 H new ATOM 1049 N LEU A 69 14.380 -0.026 -9.528 1.00 0.00 N ATOM 1050 CA LEU A 69 14.570 0.525 -10.866 1.00 0.00 C ATOM 1051 C LEU A 69 15.700 -0.194 -11.595 1.00 0.00 C ATOM 1052 O LEU A 69 16.732 -0.530 -11.014 1.00 0.00 O ATOM 1053 CB LEU A 69 14.871 2.022 -10.785 1.00 0.00 C ATOM 1054 CG LEU A 69 13.914 2.854 -9.930 1.00 0.00 C ATOM 1055 CD1 LEU A 69 14.540 4.195 -9.579 1.00 0.00 C ATOM 1056 CD2 LEU A 69 12.590 3.054 -10.653 1.00 0.00 C ATOM 0 H LEU A 69 15.036 0.325 -8.830 1.00 0.00 H new ATOM 0 HA LEU A 69 13.648 0.377 -11.428 1.00 0.00 H new ATOM 0 HB2 LEU A 69 15.880 2.149 -10.393 1.00 0.00 H new ATOM 0 HB3 LEU A 69 14.869 2.428 -11.797 1.00 0.00 H new ATOM 0 HG LEU A 69 13.721 2.313 -9.004 1.00 0.00 H new ATOM 0 HD11 LEU A 69 13.845 4.773 -8.971 1.00 0.00 H new ATOM 0 HD12 LEU A 69 15.461 4.031 -9.020 1.00 0.00 H new ATOM 0 HD13 LEU A 69 14.763 4.743 -10.494 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.921 3.648 -10.030 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.765 3.573 -11.595 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.134 2.084 -10.852 1.00 0.00 H new ATOM 1068 N PRO A 70 15.504 -0.435 -12.900 1.00 0.00 N ATOM 1069 CA PRO A 70 16.498 -1.114 -13.738 1.00 0.00 C ATOM 1070 C PRO A 70 17.734 -0.255 -13.981 1.00 0.00 C ATOM 1071 O PRO A 70 18.861 -0.751 -13.953 1.00 0.00 O ATOM 1072 CB PRO A 70 15.748 -1.357 -15.050 1.00 0.00 C ATOM 1073 CG PRO A 70 14.699 -0.300 -15.088 1.00 0.00 C ATOM 1074 CD PRO A 70 14.298 -0.062 -13.658 1.00 0.00 C ATOM 0 HA PRO A 70 16.873 -2.025 -13.271 1.00 0.00 H new ATOM 0 HB2 PRO A 70 16.416 -1.282 -15.908 1.00 0.00 H new ATOM 0 HB3 PRO A 70 15.307 -2.353 -15.075 1.00 0.00 H new ATOM 0 HG2 PRO A 70 15.082 0.613 -15.543 1.00 0.00 H new ATOM 0 HG3 PRO A 70 13.845 -0.619 -15.685 1.00 0.00 H new ATOM 0 HD2 PRO A 70 14.021 0.978 -13.486 1.00 0.00 H new ATOM 0 HD3 PRO A 70 13.440 -0.672 -13.374 1.00 0.00 H new ATOM 1082 N ARG A 71 17.517 1.034 -14.220 1.00 0.00 N ATOM 1083 CA ARG A 71 18.614 1.961 -14.469 1.00 0.00 C ATOM 1084 C ARG A 71 19.430 2.190 -13.200 1.00 0.00 C ATOM 1085 O ARG A 71 20.662 2.161 -13.227 1.00 0.00 O ATOM 1086 CB ARG A 71 18.075 3.294 -14.989 1.00 0.00 C ATOM 1087 CG ARG A 71 17.613 3.241 -16.436 1.00 0.00 C ATOM 1088 CD ARG A 71 18.702 2.702 -17.350 1.00 0.00 C ATOM 1089 NE ARG A 71 18.508 3.116 -18.737 1.00 0.00 N ATOM 1090 CZ ARG A 71 18.671 4.364 -19.161 1.00 0.00 C ATOM 1091 NH1 ARG A 71 19.029 5.316 -18.311 1.00 0.00 N ATOM 1092 NH2 ARG A 71 18.475 4.662 -20.439 1.00 0.00 N ATOM 0 H ARG A 71 16.591 1.460 -14.246 1.00 0.00 H new ATOM 0 HA ARG A 71 19.265 1.521 -15.225 1.00 0.00 H new ATOM 0 HB2 ARG A 71 17.241 3.609 -14.361 1.00 0.00 H new ATOM 0 HB3 ARG A 71 18.851 4.053 -14.892 1.00 0.00 H new ATOM 0 HG2 ARG A 71 16.727 2.611 -16.513 1.00 0.00 H new ATOM 0 HG3 ARG A 71 17.323 4.240 -16.763 1.00 0.00 H new ATOM 0 HD2 ARG A 71 19.674 3.051 -17.000 1.00 0.00 H new ATOM 0 HD3 ARG A 71 18.715 1.613 -17.295 1.00 0.00 H new ATOM 0 HE ARG A 71 18.232 2.408 -19.417 1.00 0.00 H new ATOM 0 HH11 ARG A 71 19.180 5.091 -17.328 1.00 0.00 H new ATOM 0 HH12 ARG A 71 19.153 6.273 -18.640 1.00 0.00 H new ATOM 0 HH21 ARG A 71 18.199 3.932 -21.096 1.00 0.00 H new ATOM 0 HH22 ARG A 71 18.600 5.621 -20.764 1.00 0.00 H new ATOM 1106 N LEU A 72 18.737 2.419 -12.090 1.00 0.00 N ATOM 1107 CA LEU A 72 19.398 2.654 -10.811 1.00 0.00 C ATOM 1108 C LEU A 72 19.546 1.353 -10.027 1.00 0.00 C ATOM 1109 O LEU A 72 19.151 0.286 -10.496 1.00 0.00 O ATOM 1110 CB LEU A 72 18.608 3.672 -9.986 1.00 0.00 C ATOM 1111 CG LEU A 72 18.736 5.132 -10.421 1.00 0.00 C ATOM 1112 CD1 LEU A 72 18.091 5.342 -11.783 1.00 0.00 C ATOM 1113 CD2 LEU A 72 18.110 6.054 -9.385 1.00 0.00 C ATOM 0 H LEU A 72 17.718 2.447 -12.050 1.00 0.00 H new ATOM 0 HA LEU A 72 20.393 3.051 -11.012 1.00 0.00 H new ATOM 0 HB2 LEU A 72 17.554 3.396 -10.017 1.00 0.00 H new ATOM 0 HB3 LEU A 72 18.927 3.594 -8.947 1.00 0.00 H new ATOM 0 HG LEU A 72 19.795 5.375 -10.502 1.00 0.00 H new ATOM 0 HD11 LEU A 72 18.192 6.387 -12.076 1.00 0.00 H new ATOM 0 HD12 LEU A 72 18.584 4.709 -12.521 1.00 0.00 H new ATOM 0 HD13 LEU A 72 17.034 5.081 -11.729 1.00 0.00 H new ATOM 0 HD21 LEU A 72 18.210 7.089 -9.711 1.00 0.00 H new ATOM 0 HD22 LEU A 72 17.054 5.810 -9.272 1.00 0.00 H new ATOM 0 HD23 LEU A 72 18.617 5.924 -8.429 1.00 0.00 H new ATOM 1125 N SER A 73 20.115 1.451 -8.830 1.00 0.00 N ATOM 1126 CA SER A 73 20.317 0.283 -7.982 1.00 0.00 C ATOM 1127 C SER A 73 19.601 0.451 -6.646 1.00 0.00 C ATOM 1128 O SER A 73 19.951 -0.192 -5.655 1.00 0.00 O ATOM 1129 CB SER A 73 21.811 0.048 -7.747 1.00 0.00 C ATOM 1130 OG SER A 73 22.444 -0.425 -8.923 1.00 0.00 O ATOM 0 H SER A 73 20.444 2.328 -8.426 1.00 0.00 H new ATOM 0 HA SER A 73 19.897 -0.583 -8.493 1.00 0.00 H new ATOM 0 HB2 SER A 73 22.282 0.977 -7.425 1.00 0.00 H new ATOM 0 HB3 SER A 73 21.947 -0.674 -6.942 1.00 0.00 H new ATOM 0 HG SER A 73 23.398 -0.566 -8.747 1.00 0.00 H new ATOM 1136 N LEU A 74 18.596 1.320 -6.626 1.00 0.00 N ATOM 1137 CA LEU A 74 17.829 1.575 -5.411 1.00 0.00 C ATOM 1138 C LEU A 74 16.355 1.242 -5.619 1.00 0.00 C ATOM 1139 O LEU A 74 15.921 0.971 -6.738 1.00 0.00 O ATOM 1140 CB LEU A 74 17.979 3.037 -4.987 1.00 0.00 C ATOM 1141 CG LEU A 74 19.326 3.690 -5.294 1.00 0.00 C ATOM 1142 CD1 LEU A 74 19.307 4.330 -6.674 1.00 0.00 C ATOM 1143 CD2 LEU A 74 19.674 4.722 -4.231 1.00 0.00 C ATOM 0 H LEU A 74 18.293 1.860 -7.437 1.00 0.00 H new ATOM 0 HA LEU A 74 18.220 0.933 -4.622 1.00 0.00 H new ATOM 0 HB2 LEU A 74 17.197 3.618 -5.475 1.00 0.00 H new ATOM 0 HB3 LEU A 74 17.802 3.103 -3.913 1.00 0.00 H new ATOM 0 HG LEU A 74 20.093 2.916 -5.285 1.00 0.00 H new ATOM 0 HD11 LEU A 74 20.275 4.790 -6.875 1.00 0.00 H new ATOM 0 HD12 LEU A 74 19.104 3.567 -7.426 1.00 0.00 H new ATOM 0 HD13 LEU A 74 18.528 5.092 -6.711 1.00 0.00 H new ATOM 0 HD21 LEU A 74 20.636 5.176 -4.466 1.00 0.00 H new ATOM 0 HD22 LEU A 74 18.904 5.494 -4.207 1.00 0.00 H new ATOM 0 HD23 LEU A 74 19.731 4.236 -3.257 1.00 0.00 H new ATOM 1155 N ASN A 75 15.589 1.267 -4.533 1.00 0.00 N ATOM 1156 CA ASN A 75 14.163 0.969 -4.596 1.00 0.00 C ATOM 1157 C ASN A 75 13.334 2.238 -4.418 1.00 0.00 C ATOM 1158 O ASN A 75 13.655 3.091 -3.592 1.00 0.00 O ATOM 1159 CB ASN A 75 13.786 -0.054 -3.523 1.00 0.00 C ATOM 1160 CG ASN A 75 14.612 -1.323 -3.619 1.00 0.00 C ATOM 1161 OD1 ASN A 75 14.815 -1.863 -4.706 1.00 0.00 O ATOM 1162 ND2 ASN A 75 15.091 -1.804 -2.478 1.00 0.00 N ATOM 0 H ASN A 75 15.932 1.491 -3.599 1.00 0.00 H new ATOM 0 HA ASN A 75 13.948 0.550 -5.579 1.00 0.00 H new ATOM 0 HB2 ASN A 75 13.921 0.391 -2.537 1.00 0.00 H new ATOM 0 HB3 ASN A 75 12.729 -0.303 -3.618 1.00 0.00 H new ATOM 0 HD21 ASN A 75 15.653 -2.655 -2.479 1.00 0.00 H new ATOM 0 HD22 ASN A 75 14.897 -1.322 -1.600 1.00 0.00 H new ATOM 1169 N GLY A 76 12.265 2.355 -5.201 1.00 0.00 N ATOM 1170 CA GLY A 76 11.407 3.521 -5.114 1.00 0.00 C ATOM 1171 C GLY A 76 9.975 3.163 -4.768 1.00 0.00 C ATOM 1172 O GLY A 76 9.566 2.009 -4.901 1.00 0.00 O ATOM 0 H GLY A 76 11.979 1.663 -5.893 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.800 4.202 -4.359 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.425 4.054 -6.065 1.00 0.00 H new ATOM 1176 N VAL A 77 9.210 4.154 -4.321 1.00 0.00 N ATOM 1177 CA VAL A 77 7.815 3.938 -3.955 1.00 0.00 C ATOM 1178 C VAL A 77 6.907 4.020 -5.176 1.00 0.00 C ATOM 1179 O VAL A 77 7.172 4.778 -6.110 1.00 0.00 O ATOM 1180 CB VAL A 77 7.344 4.964 -2.908 1.00 0.00 C ATOM 1181 CG1 VAL A 77 6.032 4.522 -2.279 1.00 0.00 C ATOM 1182 CG2 VAL A 77 8.413 5.169 -1.844 1.00 0.00 C ATOM 0 H VAL A 77 9.533 5.114 -4.204 1.00 0.00 H new ATOM 0 HA VAL A 77 7.752 2.938 -3.526 1.00 0.00 H new ATOM 0 HB VAL A 77 7.175 5.917 -3.409 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.715 5.260 -1.542 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.270 4.432 -3.053 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.169 3.557 -1.791 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.063 5.897 -1.112 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.616 4.222 -1.345 1.00 0.00 H new ATOM 0 HG23 VAL A 77 9.327 5.535 -2.312 1.00 0.00 H new ATOM 1192 N ARG A 78 5.834 3.236 -5.163 1.00 0.00 N ATOM 1193 CA ARG A 78 4.885 3.220 -6.270 1.00 0.00 C ATOM 1194 C ARG A 78 3.620 3.996 -5.913 1.00 0.00 C ATOM 1195 O ARG A 78 2.821 3.555 -5.087 1.00 0.00 O ATOM 1196 CB ARG A 78 4.526 1.780 -6.641 1.00 0.00 C ATOM 1197 CG ARG A 78 4.111 1.611 -8.093 1.00 0.00 C ATOM 1198 CD ARG A 78 2.997 2.574 -8.470 1.00 0.00 C ATOM 1199 NE ARG A 78 3.517 3.838 -8.984 1.00 0.00 N ATOM 1200 CZ ARG A 78 2.830 4.644 -9.786 1.00 0.00 C ATOM 1201 NH1 ARG A 78 1.600 4.320 -10.162 1.00 0.00 N ATOM 1202 NH2 ARG A 78 3.371 5.778 -10.212 1.00 0.00 N ATOM 0 H ARG A 78 5.600 2.603 -4.398 1.00 0.00 H new ATOM 0 HA ARG A 78 5.356 3.702 -7.127 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.383 1.137 -6.440 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.714 1.440 -5.998 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.972 1.778 -8.740 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.780 0.586 -8.261 1.00 0.00 H new ATOM 0 HD2 ARG A 78 2.358 2.112 -9.223 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.373 2.767 -7.597 1.00 0.00 H new ATOM 0 HE ARG A 78 4.460 4.117 -8.712 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.179 3.450 -9.835 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.075 4.941 -10.778 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.316 6.032 -9.924 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.842 6.396 -10.828 1.00 0.00 H new ATOM 1216 N PHE A 79 3.445 5.153 -6.542 1.00 0.00 N ATOM 1217 CA PHE A 79 2.279 5.991 -6.291 1.00 0.00 C ATOM 1218 C PHE A 79 1.224 5.795 -7.376 1.00 0.00 C ATOM 1219 O PHE A 79 1.342 6.332 -8.477 1.00 0.00 O ATOM 1220 CB PHE A 79 2.687 7.464 -6.221 1.00 0.00 C ATOM 1221 CG PHE A 79 3.625 7.773 -5.089 1.00 0.00 C ATOM 1222 CD1 PHE A 79 4.992 7.601 -5.238 1.00 0.00 C ATOM 1223 CD2 PHE A 79 3.140 8.236 -3.877 1.00 0.00 C ATOM 1224 CE1 PHE A 79 5.856 7.884 -4.198 1.00 0.00 C ATOM 1225 CE2 PHE A 79 4.000 8.522 -2.833 1.00 0.00 C ATOM 1226 CZ PHE A 79 5.360 8.346 -2.994 1.00 0.00 C ATOM 0 H PHE A 79 4.096 5.532 -7.230 1.00 0.00 H new ATOM 0 HA PHE A 79 1.850 5.695 -5.334 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.160 7.747 -7.162 1.00 0.00 H new ATOM 0 HB3 PHE A 79 1.791 8.076 -6.118 1.00 0.00 H new ATOM 0 HD1 PHE A 79 5.386 7.242 -6.177 1.00 0.00 H new ATOM 0 HD2 PHE A 79 2.077 8.375 -3.746 1.00 0.00 H new ATOM 0 HE1 PHE A 79 6.919 7.744 -4.326 1.00 0.00 H new ATOM 0 HE2 PHE A 79 3.609 8.882 -1.893 1.00 0.00 H new ATOM 0 HZ PHE A 79 6.035 8.569 -2.181 1.00 0.00 H new ATOM 1236 N LYS A 80 0.193 5.020 -7.057 1.00 0.00 N ATOM 1237 CA LYS A 80 -0.885 4.752 -8.002 1.00 0.00 C ATOM 1238 C LYS A 80 -2.199 5.354 -7.515 1.00 0.00 C ATOM 1239 O LYS A 80 -2.625 5.108 -6.387 1.00 0.00 O ATOM 1240 CB LYS A 80 -1.048 3.244 -8.207 1.00 0.00 C ATOM 1241 CG LYS A 80 -2.000 2.883 -9.334 1.00 0.00 C ATOM 1242 CD LYS A 80 -1.972 1.393 -9.631 1.00 0.00 C ATOM 1243 CE LYS A 80 -2.734 1.064 -10.906 1.00 0.00 C ATOM 1244 NZ LYS A 80 -1.931 1.364 -12.124 1.00 0.00 N ATOM 0 H LYS A 80 0.081 4.566 -6.150 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.624 5.216 -8.953 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.071 2.806 -8.413 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.409 2.797 -7.281 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.013 3.183 -9.066 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -1.730 3.439 -10.232 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -0.939 1.060 -9.727 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.407 0.846 -8.795 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.009 0.009 -10.903 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.662 1.635 -10.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.484 1.126 -12.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.690 2.375 -12.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -1.057 0.800 -12.112 1.00 0.00 H new ATOM 1258 N ARG A 81 -2.836 6.144 -8.374 1.00 0.00 N ATOM 1259 CA ARG A 81 -4.102 6.781 -8.030 1.00 0.00 C ATOM 1260 C ARG A 81 -5.276 5.850 -8.322 1.00 0.00 C ATOM 1261 O ARG A 81 -5.254 5.094 -9.293 1.00 0.00 O ATOM 1262 CB ARG A 81 -4.267 8.087 -8.809 1.00 0.00 C ATOM 1263 CG ARG A 81 -5.628 8.738 -8.624 1.00 0.00 C ATOM 1264 CD ARG A 81 -5.942 9.704 -9.756 1.00 0.00 C ATOM 1265 NE ARG A 81 -6.452 9.015 -10.938 1.00 0.00 N ATOM 1266 CZ ARG A 81 -7.037 9.636 -11.956 1.00 0.00 C ATOM 1267 NH1 ARG A 81 -7.185 10.954 -11.936 1.00 0.00 N ATOM 1268 NH2 ARG A 81 -7.474 8.940 -12.997 1.00 0.00 N ATOM 0 H ARG A 81 -2.497 6.358 -9.312 1.00 0.00 H new ATOM 0 HA ARG A 81 -4.092 7.001 -6.962 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.493 8.787 -8.496 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -4.109 7.890 -9.869 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -6.398 7.968 -8.578 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.652 9.270 -7.673 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.677 10.434 -9.416 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.041 10.258 -10.020 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.354 8.001 -10.985 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -6.849 11.493 -11.138 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -7.635 11.429 -12.719 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -7.361 7.926 -13.017 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -7.923 9.418 -13.778 1.00 0.00 H new ATOM 1282 N ILE A 82 -6.297 5.912 -7.474 1.00 0.00 N ATOM 1283 CA ILE A 82 -7.479 5.075 -7.641 1.00 0.00 C ATOM 1284 C ILE A 82 -8.722 5.923 -7.888 1.00 0.00 C ATOM 1285 O ILE A 82 -9.453 5.705 -8.854 1.00 0.00 O ATOM 1286 CB ILE A 82 -7.716 4.183 -6.408 1.00 0.00 C ATOM 1287 CG1 ILE A 82 -6.447 3.400 -6.067 1.00 0.00 C ATOM 1288 CG2 ILE A 82 -8.880 3.235 -6.657 1.00 0.00 C ATOM 1289 CD1 ILE A 82 -6.058 2.389 -7.123 1.00 0.00 C ATOM 0 H ILE A 82 -6.330 6.532 -6.665 1.00 0.00 H new ATOM 0 HA ILE A 82 -7.297 4.440 -8.508 1.00 0.00 H new ATOM 0 HB ILE A 82 -7.966 4.819 -5.559 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.624 4.101 -5.926 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -6.592 2.884 -5.118 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -9.036 2.611 -5.777 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -9.783 3.812 -6.857 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -8.656 2.602 -7.516 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -5.150 1.872 -6.814 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.863 1.665 -7.248 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.880 2.901 -8.069 1.00 0.00 H new ATOM 1301 N SER A 83 -8.954 6.893 -7.009 1.00 0.00 N ATOM 1302 CA SER A 83 -10.110 7.774 -7.130 1.00 0.00 C ATOM 1303 C SER A 83 -9.697 9.235 -6.984 1.00 0.00 C ATOM 1304 O SER A 83 -8.576 9.538 -6.580 1.00 0.00 O ATOM 1305 CB SER A 83 -11.160 7.420 -6.075 1.00 0.00 C ATOM 1306 OG SER A 83 -12.365 8.132 -6.297 1.00 0.00 O ATOM 0 H SER A 83 -8.357 7.089 -6.205 1.00 0.00 H new ATOM 0 HA SER A 83 -10.541 7.634 -8.122 1.00 0.00 H new ATOM 0 HB2 SER A 83 -11.357 6.348 -6.099 1.00 0.00 H new ATOM 0 HB3 SER A 83 -10.775 7.651 -5.082 1.00 0.00 H new ATOM 0 HG SER A 83 -13.021 7.887 -5.611 1.00 0.00 H new ATOM 1312 N GLY A 84 -10.615 10.139 -7.316 1.00 0.00 N ATOM 1313 CA GLY A 84 -10.328 11.558 -7.215 1.00 0.00 C ATOM 1314 C GLY A 84 -9.659 12.104 -8.461 1.00 0.00 C ATOM 1315 O GLY A 84 -9.121 11.347 -9.269 1.00 0.00 O ATOM 0 H GLY A 84 -11.551 9.914 -7.653 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -11.256 12.101 -7.037 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.684 11.735 -6.353 1.00 0.00 H new ATOM 1319 N THR A 85 -9.692 13.424 -8.618 1.00 0.00 N ATOM 1320 CA THR A 85 -9.087 14.071 -9.775 1.00 0.00 C ATOM 1321 C THR A 85 -7.590 14.273 -9.572 1.00 0.00 C ATOM 1322 O THR A 85 -7.099 14.255 -8.443 1.00 0.00 O ATOM 1323 CB THR A 85 -9.744 15.434 -10.064 1.00 0.00 C ATOM 1324 OG1 THR A 85 -9.461 15.840 -11.408 1.00 0.00 O ATOM 1325 CG2 THR A 85 -9.241 16.493 -9.093 1.00 0.00 C ATOM 0 H THR A 85 -10.132 14.066 -7.958 1.00 0.00 H new ATOM 0 HA THR A 85 -9.249 13.411 -10.627 1.00 0.00 H new ATOM 0 HB THR A 85 -10.821 15.328 -9.937 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.884 16.706 -11.584 1.00 0.00 H new ATOM 0 HG21 THR A 85 -9.718 17.447 -9.316 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.483 16.196 -8.073 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.161 16.596 -9.194 1.00 0.00 H new ATOM 1333 N SER A 86 -6.869 14.468 -10.671 1.00 0.00 N ATOM 1334 CA SER A 86 -5.426 14.671 -10.613 1.00 0.00 C ATOM 1335 C SER A 86 -5.056 15.616 -9.473 1.00 0.00 C ATOM 1336 O SER A 86 -4.207 15.297 -8.640 1.00 0.00 O ATOM 1337 CB SER A 86 -4.915 15.231 -11.941 1.00 0.00 C ATOM 1338 OG SER A 86 -5.638 16.390 -12.319 1.00 0.00 O ATOM 0 H SER A 86 -7.260 14.490 -11.613 1.00 0.00 H new ATOM 0 HA SER A 86 -4.955 13.705 -10.429 1.00 0.00 H new ATOM 0 HB2 SER A 86 -3.856 15.472 -11.854 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.006 14.472 -12.718 1.00 0.00 H new ATOM 0 HG SER A 86 -5.291 16.729 -13.170 1.00 0.00 H new ATOM 1344 N ILE A 87 -5.699 16.778 -9.444 1.00 0.00 N ATOM 1345 CA ILE A 87 -5.439 17.769 -8.407 1.00 0.00 C ATOM 1346 C ILE A 87 -5.557 17.153 -7.017 1.00 0.00 C ATOM 1347 O ILE A 87 -4.648 17.270 -6.196 1.00 0.00 O ATOM 1348 CB ILE A 87 -6.408 18.961 -8.512 1.00 0.00 C ATOM 1349 CG1 ILE A 87 -6.024 19.856 -9.692 1.00 0.00 C ATOM 1350 CG2 ILE A 87 -6.411 19.757 -7.216 1.00 0.00 C ATOM 1351 CD1 ILE A 87 -6.435 19.295 -11.036 1.00 0.00 C ATOM 0 H ILE A 87 -6.404 17.057 -10.127 1.00 0.00 H new ATOM 0 HA ILE A 87 -4.420 18.125 -8.559 1.00 0.00 H new ATOM 0 HB ILE A 87 -7.414 18.578 -8.683 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -6.485 20.835 -9.560 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -4.945 20.008 -9.686 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -7.101 20.596 -7.306 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -6.727 19.114 -6.395 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -5.407 20.132 -7.017 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -6.131 19.982 -11.826 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -5.953 18.329 -11.190 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.517 19.169 -11.062 1.00 0.00 H new ATOM 1363 N ALA A 88 -6.683 16.496 -6.761 1.00 0.00 N ATOM 1364 CA ALA A 88 -6.919 15.858 -5.471 1.00 0.00 C ATOM 1365 C ALA A 88 -5.853 14.808 -5.175 1.00 0.00 C ATOM 1366 O ALA A 88 -5.342 14.726 -4.058 1.00 0.00 O ATOM 1367 CB ALA A 88 -8.304 15.230 -5.438 1.00 0.00 C ATOM 0 H ALA A 88 -7.446 16.391 -7.429 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.861 16.625 -4.698 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.466 14.757 -4.469 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -9.057 16.002 -5.596 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.382 14.480 -6.225 1.00 0.00 H new ATOM 1373 N PHE A 89 -5.522 14.007 -6.182 1.00 0.00 N ATOM 1374 CA PHE A 89 -4.517 12.961 -6.029 1.00 0.00 C ATOM 1375 C PHE A 89 -3.162 13.558 -5.662 1.00 0.00 C ATOM 1376 O PHE A 89 -2.627 13.299 -4.584 1.00 0.00 O ATOM 1377 CB PHE A 89 -4.397 12.147 -7.319 1.00 0.00 C ATOM 1378 CG PHE A 89 -3.197 11.244 -7.348 1.00 0.00 C ATOM 1379 CD1 PHE A 89 -2.929 10.393 -6.288 1.00 0.00 C ATOM 1380 CD2 PHE A 89 -2.338 11.246 -8.435 1.00 0.00 C ATOM 1381 CE1 PHE A 89 -1.826 9.560 -6.311 1.00 0.00 C ATOM 1382 CE2 PHE A 89 -1.234 10.415 -8.464 1.00 0.00 C ATOM 1383 CZ PHE A 89 -0.977 9.572 -7.400 1.00 0.00 C ATOM 0 H PHE A 89 -5.935 14.062 -7.113 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.834 12.302 -5.221 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.297 11.546 -7.445 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.349 12.830 -8.167 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.590 10.380 -5.434 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.533 11.904 -9.269 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.629 8.901 -5.479 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.573 10.425 -9.318 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.114 8.924 -7.420 1.00 0.00 H new ATOM 1393 N LYS A 90 -2.611 14.360 -6.568 1.00 0.00 N ATOM 1394 CA LYS A 90 -1.318 14.995 -6.342 1.00 0.00 C ATOM 1395 C LYS A 90 -1.321 15.784 -5.036 1.00 0.00 C ATOM 1396 O LYS A 90 -0.299 15.883 -4.358 1.00 0.00 O ATOM 1397 CB LYS A 90 -0.971 15.922 -7.509 1.00 0.00 C ATOM 1398 CG LYS A 90 -0.278 15.216 -8.661 1.00 0.00 C ATOM 1399 CD LYS A 90 0.183 16.201 -9.722 1.00 0.00 C ATOM 1400 CE LYS A 90 -0.978 16.676 -10.583 1.00 0.00 C ATOM 1401 NZ LYS A 90 -0.551 17.706 -11.570 1.00 0.00 N ATOM 0 H LYS A 90 -3.040 14.585 -7.465 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.563 14.211 -6.272 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.885 16.388 -7.877 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.328 16.724 -7.146 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.579 14.658 -8.284 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.959 14.491 -9.107 1.00 0.00 H new ATOM 0 HD2 LYS A 90 0.657 17.058 -9.243 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.937 15.731 -10.353 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.411 15.826 -11.110 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.760 17.087 -9.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.370 18.004 -12.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -0.161 18.528 -11.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.177 17.306 -12.196 1.00 0.00 H new ATOM 1415 N ASN A 91 -2.476 16.343 -4.690 1.00 0.00 N ATOM 1416 CA ASN A 91 -2.611 17.123 -3.464 1.00 0.00 C ATOM 1417 C ASN A 91 -2.193 16.301 -2.248 1.00 0.00 C ATOM 1418 O ASN A 91 -1.482 16.791 -1.370 1.00 0.00 O ATOM 1419 CB ASN A 91 -4.054 17.603 -3.297 1.00 0.00 C ATOM 1420 CG ASN A 91 -4.292 18.953 -3.947 1.00 0.00 C ATOM 1421 OD1 ASN A 91 -3.677 19.284 -4.960 1.00 0.00 O ATOM 1422 ND2 ASN A 91 -5.189 19.739 -3.364 1.00 0.00 N ATOM 0 H ASN A 91 -3.332 16.271 -5.240 1.00 0.00 H new ATOM 0 HA ASN A 91 -1.953 17.989 -3.539 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.731 16.868 -3.733 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -4.293 17.667 -2.235 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -5.392 20.659 -3.755 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -5.675 19.423 -2.525 1.00 0.00 H new ATOM 1429 N ILE A 92 -2.638 15.050 -2.205 1.00 0.00 N ATOM 1430 CA ILE A 92 -2.309 14.161 -1.098 1.00 0.00 C ATOM 1431 C ILE A 92 -0.954 13.493 -1.313 1.00 0.00 C ATOM 1432 O ILE A 92 -0.207 13.261 -0.363 1.00 0.00 O ATOM 1433 CB ILE A 92 -3.381 13.071 -0.913 1.00 0.00 C ATOM 1434 CG1 ILE A 92 -2.987 12.124 0.222 1.00 0.00 C ATOM 1435 CG2 ILE A 92 -3.582 12.300 -2.209 1.00 0.00 C ATOM 1436 CD1 ILE A 92 -2.765 12.824 1.544 1.00 0.00 C ATOM 0 H ILE A 92 -3.227 14.629 -2.924 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.270 14.777 -0.200 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.324 13.551 -0.649 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.767 11.373 0.345 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.076 11.595 -0.057 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -4.343 11.533 -2.062 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.904 12.985 -2.994 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.644 11.829 -2.501 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.489 12.091 2.302 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.964 13.556 1.438 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.682 13.330 1.846 1.00 0.00 H new ATOM 1448 N ALA A 93 -0.644 13.189 -2.569 1.00 0.00 N ATOM 1449 CA ALA A 93 0.622 12.552 -2.910 1.00 0.00 C ATOM 1450 C ALA A 93 1.804 13.421 -2.494 1.00 0.00 C ATOM 1451 O ALA A 93 2.799 12.923 -1.968 1.00 0.00 O ATOM 1452 CB ALA A 93 0.680 12.258 -4.402 1.00 0.00 C ATOM 0 H ALA A 93 -1.252 13.374 -3.367 1.00 0.00 H new ATOM 0 HA ALA A 93 0.686 11.612 -2.363 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.631 11.782 -4.642 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.138 11.591 -4.673 1.00 0.00 H new ATOM 0 HB3 ALA A 93 0.589 13.190 -4.960 1.00 0.00 H new ATOM 1458 N SER A 94 1.688 14.724 -2.734 1.00 0.00 N ATOM 1459 CA SER A 94 2.749 15.662 -2.388 1.00 0.00 C ATOM 1460 C SER A 94 3.066 15.598 -0.897 1.00 0.00 C ATOM 1461 O SER A 94 4.135 16.023 -0.458 1.00 0.00 O ATOM 1462 CB SER A 94 2.345 17.086 -2.774 1.00 0.00 C ATOM 1463 OG SER A 94 3.486 17.890 -3.024 1.00 0.00 O ATOM 0 H SER A 94 0.870 15.153 -3.167 1.00 0.00 H new ATOM 0 HA SER A 94 3.644 15.382 -2.944 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.713 17.060 -3.662 1.00 0.00 H new ATOM 0 HB3 SER A 94 1.752 17.529 -1.974 1.00 0.00 H new ATOM 0 HG SER A 94 3.201 18.795 -3.270 1.00 0.00 H new ATOM 1469 N LYS A 95 2.128 15.063 -0.121 1.00 0.00 N ATOM 1470 CA LYS A 95 2.305 14.941 1.321 1.00 0.00 C ATOM 1471 C LYS A 95 3.180 13.738 1.661 1.00 0.00 C ATOM 1472 O LYS A 95 4.060 13.823 2.518 1.00 0.00 O ATOM 1473 CB LYS A 95 0.947 14.810 2.013 1.00 0.00 C ATOM 1474 CG LYS A 95 -0.072 15.839 1.554 1.00 0.00 C ATOM 1475 CD LYS A 95 0.017 17.115 2.374 1.00 0.00 C ATOM 1476 CE LYS A 95 -0.783 18.242 1.740 1.00 0.00 C ATOM 1477 NZ LYS A 95 -0.165 18.714 0.470 1.00 0.00 N ATOM 0 H LYS A 95 1.237 14.707 -0.468 1.00 0.00 H new ATOM 0 HA LYS A 95 2.802 15.843 1.679 1.00 0.00 H new ATOM 0 HB2 LYS A 95 0.550 13.811 1.830 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.087 14.905 3.090 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.091 16.070 0.501 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -1.075 15.421 1.637 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -0.353 16.927 3.382 1.00 0.00 H new ATOM 0 HD3 LYS A 95 1.060 17.416 2.468 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -1.799 17.900 1.544 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.856 19.074 2.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -0.422 19.709 0.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.870 18.629 0.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -0.511 18.134 -0.321 1.00 0.00 H new ATOM 1491 N ILE A 96 2.932 12.622 0.985 1.00 0.00 N ATOM 1492 CA ILE A 96 3.699 11.404 1.215 1.00 0.00 C ATOM 1493 C ILE A 96 5.054 11.468 0.519 1.00 0.00 C ATOM 1494 O ILE A 96 6.097 11.489 1.171 1.00 0.00 O ATOM 1495 CB ILE A 96 2.939 10.159 0.721 1.00 0.00 C ATOM 1496 CG1 ILE A 96 1.472 10.224 1.153 1.00 0.00 C ATOM 1497 CG2 ILE A 96 3.596 8.893 1.250 1.00 0.00 C ATOM 1498 CD1 ILE A 96 1.268 10.877 2.502 1.00 0.00 C ATOM 0 H ILE A 96 2.206 12.536 0.274 1.00 0.00 H new ATOM 0 HA ILE A 96 3.850 11.324 2.292 1.00 0.00 H new ATOM 0 HB ILE A 96 2.977 10.138 -0.368 1.00 0.00 H new ATOM 0 HG12 ILE A 96 0.905 10.774 0.402 1.00 0.00 H new ATOM 0 HG13 ILE A 96 1.065 9.213 1.182 1.00 0.00 H new ATOM 0 HG21 ILE A 96 3.047 8.022 0.892 1.00 0.00 H new ATOM 0 HG22 ILE A 96 4.626 8.843 0.897 1.00 0.00 H new ATOM 0 HG23 ILE A 96 3.586 8.906 2.340 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.205 10.888 2.744 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.807 10.314 3.264 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.644 11.900 2.472 1.00 0.00 H new ATOM 1510 N ALA A 97 5.030 11.499 -0.809 1.00 0.00 N ATOM 1511 CA ALA A 97 6.257 11.565 -1.594 1.00 0.00 C ATOM 1512 C ALA A 97 7.268 12.510 -0.954 1.00 0.00 C ATOM 1513 O ALA A 97 8.476 12.294 -1.042 1.00 0.00 O ATOM 1514 CB ALA A 97 5.949 12.004 -3.018 1.00 0.00 C ATOM 0 H ALA A 97 4.175 11.479 -1.364 1.00 0.00 H new ATOM 0 HA ALA A 97 6.697 10.568 -1.620 1.00 0.00 H new ATOM 0 HB1 ALA A 97 6.874 12.049 -3.593 1.00 0.00 H new ATOM 0 HB2 ALA A 97 5.269 11.289 -3.480 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.483 12.989 -3.002 1.00 0.00 H new ATOM 1520 N ASN A 98 6.766 13.559 -0.310 1.00 0.00 N ATOM 1521 CA ASN A 98 7.626 14.538 0.343 1.00 0.00 C ATOM 1522 C ASN A 98 8.019 14.070 1.741 1.00 0.00 C ATOM 1523 O ASN A 98 9.183 13.764 1.999 1.00 0.00 O ATOM 1524 CB ASN A 98 6.920 15.893 0.427 1.00 0.00 C ATOM 1525 CG ASN A 98 7.871 17.019 0.786 1.00 0.00 C ATOM 1526 OD1 ASN A 98 8.633 17.495 -0.055 1.00 0.00 O ATOM 1527 ND2 ASN A 98 7.829 17.451 2.041 1.00 0.00 N ATOM 0 H ASN A 98 5.768 13.752 -0.227 1.00 0.00 H new ATOM 0 HA ASN A 98 8.532 14.644 -0.254 1.00 0.00 H new ATOM 0 HB2 ASN A 98 6.446 16.113 -0.530 1.00 0.00 H new ATOM 0 HB3 ASN A 98 6.126 15.840 1.172 1.00 0.00 H new ATOM 0 HD21 ASN A 98 8.445 18.207 2.341 1.00 0.00 H new ATOM 0 HD22 ASN A 98 7.181 17.027 2.705 1.00 0.00 H new ATOM 1534 N GLU A 99 7.040 14.016 2.638 1.00 0.00 N ATOM 1535 CA GLU A 99 7.284 13.585 4.010 1.00 0.00 C ATOM 1536 C GLU A 99 8.255 12.409 4.046 1.00 0.00 C ATOM 1537 O GLU A 99 9.186 12.382 4.852 1.00 0.00 O ATOM 1538 CB GLU A 99 5.968 13.196 4.688 1.00 0.00 C ATOM 1539 CG GLU A 99 5.144 14.387 5.146 1.00 0.00 C ATOM 1540 CD GLU A 99 5.678 15.011 6.420 1.00 0.00 C ATOM 1541 OE1 GLU A 99 6.207 14.264 7.270 1.00 0.00 O ATOM 1542 OE2 GLU A 99 5.568 16.246 6.568 1.00 0.00 O ATOM 0 H GLU A 99 6.071 14.265 2.440 1.00 0.00 H new ATOM 0 HA GLU A 99 7.730 14.419 4.552 1.00 0.00 H new ATOM 0 HB2 GLU A 99 5.375 12.599 3.995 1.00 0.00 H new ATOM 0 HB3 GLU A 99 6.186 12.563 5.548 1.00 0.00 H new ATOM 0 HG2 GLU A 99 5.129 15.138 4.357 1.00 0.00 H new ATOM 0 HG3 GLU A 99 4.113 14.071 5.305 1.00 0.00 H new ATOM 1549 N LEU A 100 8.031 11.437 3.168 1.00 0.00 N ATOM 1550 CA LEU A 100 8.885 10.257 3.098 1.00 0.00 C ATOM 1551 C LEU A 100 10.339 10.620 3.378 1.00 0.00 C ATOM 1552 O LEU A 100 11.056 11.085 2.491 1.00 0.00 O ATOM 1553 CB LEU A 100 8.767 9.598 1.722 1.00 0.00 C ATOM 1554 CG LEU A 100 7.540 8.712 1.505 1.00 0.00 C ATOM 1555 CD1 LEU A 100 7.693 7.890 0.235 1.00 0.00 C ATOM 1556 CD2 LEU A 100 7.318 7.805 2.706 1.00 0.00 C ATOM 0 H LEU A 100 7.265 11.443 2.495 1.00 0.00 H new ATOM 0 HA LEU A 100 8.553 9.553 3.861 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.762 10.382 0.965 1.00 0.00 H new ATOM 0 HB3 LEU A 100 9.660 8.996 1.552 1.00 0.00 H new ATOM 0 HG LEU A 100 6.667 9.355 1.394 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.810 7.266 0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 100 7.802 8.558 -0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.576 7.257 0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.441 7.182 2.534 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.192 7.170 2.849 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.162 8.413 3.597 1.00 0.00 H new ATOM 1568 N LYS A 101 10.771 10.402 4.615 1.00 0.00 N ATOM 1569 CA LYS A 101 12.141 10.702 5.013 1.00 0.00 C ATOM 1570 C LYS A 101 13.104 9.642 4.489 1.00 0.00 C ATOM 1571 O LYS A 101 13.942 9.128 5.232 1.00 0.00 O ATOM 1572 CB LYS A 101 12.244 10.792 6.537 1.00 0.00 C ATOM 1573 CG LYS A 101 11.558 12.015 7.122 1.00 0.00 C ATOM 1574 CD LYS A 101 12.073 12.329 8.517 1.00 0.00 C ATOM 1575 CE LYS A 101 11.324 11.537 9.578 1.00 0.00 C ATOM 1576 NZ LYS A 101 11.307 12.245 10.888 1.00 0.00 N ATOM 0 H LYS A 101 10.191 10.018 5.361 1.00 0.00 H new ATOM 0 HA LYS A 101 12.416 11.664 4.580 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.806 9.895 6.976 1.00 0.00 H new ATOM 0 HB3 LYS A 101 13.296 10.805 6.822 1.00 0.00 H new ATOM 0 HG2 LYS A 101 11.724 12.873 6.470 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.482 11.847 7.160 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.137 12.100 8.574 1.00 0.00 H new ATOM 0 HD3 LYS A 101 11.966 13.396 8.714 1.00 0.00 H new ATOM 0 HE2 LYS A 101 10.301 11.362 9.246 1.00 0.00 H new ATOM 0 HE3 LYS A 101 11.791 10.560 9.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 10.788 11.674 11.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 12.283 12.389 11.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 10.839 13.167 10.778 1.00 0.00 H new ATOM 1590 N LEU A 102 12.981 9.318 3.207 1.00 0.00 N ATOM 1591 CA LEU A 102 13.842 8.319 2.583 1.00 0.00 C ATOM 1592 C LEU A 102 15.030 8.980 1.891 1.00 0.00 C ATOM 1593 O LEU A 102 15.073 10.201 1.740 1.00 0.00 O ATOM 1594 CB LEU A 102 13.046 7.490 1.574 1.00 0.00 C ATOM 1595 CG LEU A 102 11.649 7.054 2.017 1.00 0.00 C ATOM 1596 CD1 LEU A 102 10.751 6.832 0.809 1.00 0.00 C ATOM 1597 CD2 LEU A 102 11.727 5.793 2.865 1.00 0.00 C ATOM 0 H LEU A 102 12.293 9.733 2.579 1.00 0.00 H new ATOM 0 HA LEU A 102 14.221 7.662 3.366 1.00 0.00 H new ATOM 0 HB2 LEU A 102 12.950 8.068 0.655 1.00 0.00 H new ATOM 0 HB3 LEU A 102 13.623 6.598 1.331 1.00 0.00 H new ATOM 0 HG LEU A 102 11.217 7.849 2.624 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.761 6.522 1.144 1.00 0.00 H new ATOM 0 HD12 LEU A 102 10.669 7.759 0.242 1.00 0.00 H new ATOM 0 HD13 LEU A 102 11.179 6.055 0.175 1.00 0.00 H new ATOM 0 HD21 LEU A 102 10.723 5.498 3.171 1.00 0.00 H new ATOM 0 HD22 LEU A 102 12.180 4.990 2.283 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.334 5.986 3.750 1.00 0.00 H new TER 1609 LEU A 102