USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 869 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 100 LYS NZ :NH3+ -169:sc= 0.65 (180deg=-0.361) USER MOD Set 1.2: A 104 ASN : amide:sc= 0.615 K(o=1.3,f=-1.8) USER MOD Set 2.1: A 76 GLN : amide:sc= -0.566 K(o=-0.72,f=-0.12) USER MOD Set 2.2: A 99 GLN : amide:sc= -0.157 K(o=-0.72,f=-0.12) USER MOD Set 3.1: A 18 SER OG : rot -80:sc= 2.21 USER MOD Set 3.2: A 19 GLN : amide:sc= -0.069 X(o=2.1,f=1.9) USER MOD Set 3.3: A 71 THR OG1 : rot 77:sc= -0.257 USER MOD Set 3.4: A 74 ASN : amide:sc= 0.216 K(o=2.1,f=-1.7!) USER MOD Set 4.1: A 57 THR OG1 : rot 111:sc= -0.0173 USER MOD Set 4.2: A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 166:sc= -0.229 (180deg=-0.473) USER MOD Single : A 1 MET N :NH3+ 172:sc= 0 (180deg=-0.0685) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -143:sc= 0.0363 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= -1.01 K(o=-1,f=-5!) USER MOD Single : A 20 SER OG : rot 75:sc= 0.963 USER MOD Single : A 26 GLN : amide:sc= -1.56! K(o=-1.6!,f=-0.25) USER MOD Single : A 35 GLN : amide:sc= -0.406 X(o=-0.41,f=-0.43) USER MOD Single : A 36 GLN : amide:sc=-0.00167 K(o=-0.0017,f=-0.6) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot -178:sc= 0.256 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 43 SER OG : rot 69:sc= 1.56 USER MOD Single : A 46 THR OG1 : rot 78:sc= 1.2 USER MOD Single : A 48 MET CE :methyl -155:sc= -0.0214 (180deg=-0.66) USER MOD Single : A 50 LYS NZ :NH3+ -136:sc= -0.875 (180deg=-3.15!) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot -52:sc= 0.122 USER MOD Single : A 61 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.34) USER MOD Single : A 63 MET CE :methyl 165:sc= -1.99 (180deg=-2.39!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -0.0432 K(o=-0.043,f=-1.8) USER MOD Single : A 79 LYS NZ :NH3+ 168:sc= -0.377 (180deg=-0.537) USER MOD Single : A 95 GLN : amide:sc= -0.359 X(o=-0.36,f=0) USER MOD Single : A 96 SER OG : rot -38:sc= 0.473 USER MOD Single : A 97 THR OG1 : rot -42:sc= 0.478 USER MOD Single : A 101 SER OG : rot -130:sc= 1.36 USER MOD Single : A 103 ASN : amide:sc= -0.8 K(o=-0.8,f=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 72:sc= 0.262 USER MOD Single : A 112 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.469 1.701 21.755 1.00 14.34 N ATOM 2 CA MET A 1 1.418 1.716 20.615 1.00 0.10 C ATOM 3 C MET A 1 0.756 2.426 19.409 1.00 11.34 C ATOM 4 O MET A 1 0.921 2.011 18.257 1.00 52.24 O ATOM 5 CB MET A 1 1.826 0.241 20.291 1.00 12.11 C ATOM 6 CG MET A 1 3.082 0.078 19.419 1.00 33.53 C ATOM 7 SD MET A 1 3.455 -1.646 19.036 1.00 15.21 S ATOM 8 CE MET A 1 2.013 -2.144 18.091 1.00 51.42 C ATOM 0 H1 MET A 1 0.854 1.110 22.519 1.00 14.34 H new ATOM 0 H2 MET A 1 0.330 2.671 22.104 1.00 14.34 H new ATOM 0 H3 MET A 1 -0.443 1.312 21.442 1.00 14.34 H new ATOM 0 HA MET A 1 2.324 2.271 20.859 1.00 0.10 H new ATOM 0 HB2 MET A 1 1.986 -0.288 21.230 1.00 12.11 H new ATOM 0 HB3 MET A 1 0.990 -0.247 19.789 1.00 12.11 H new ATOM 0 HG2 MET A 1 2.946 0.630 18.489 1.00 33.53 H new ATOM 0 HG3 MET A 1 3.934 0.523 19.932 1.00 33.53 H new ATOM 0 HE1 MET A 1 2.217 -3.088 17.586 1.00 51.42 H new ATOM 0 HE2 MET A 1 1.163 -2.267 18.762 1.00 51.42 H new ATOM 0 HE3 MET A 1 1.782 -1.379 17.350 1.00 51.42 H new ATOM 20 N THR A 2 0.063 3.552 19.710 1.00 64.31 N ATOM 21 CA THR A 2 -0.818 4.278 18.771 1.00 32.42 C ATOM 22 C THR A 2 -0.150 4.579 17.411 1.00 72.12 C ATOM 23 O THR A 2 -0.715 4.251 16.374 1.00 75.31 O ATOM 24 CB THR A 2 -1.328 5.611 19.424 1.00 43.13 C ATOM 25 OG1 THR A 2 -1.954 5.316 20.686 1.00 51.20 O ATOM 26 CG2 THR A 2 -2.324 6.382 18.530 1.00 30.22 C ATOM 0 H THR A 2 0.104 3.987 20.632 1.00 64.31 H new ATOM 0 HA THR A 2 -1.660 3.616 18.566 1.00 32.42 H new ATOM 0 HB THR A 2 -0.457 6.252 19.560 1.00 43.13 H new ATOM 0 HG1 THR A 2 -2.272 6.148 21.096 1.00 51.20 H new ATOM 0 HG21 THR A 2 -2.639 7.293 19.038 1.00 30.22 H new ATOM 0 HG22 THR A 2 -1.842 6.640 17.587 1.00 30.22 H new ATOM 0 HG23 THR A 2 -3.195 5.757 18.333 1.00 30.22 H new ATOM 34 N SER A 3 1.067 5.163 17.441 1.00 2.30 N ATOM 35 CA SER A 3 1.799 5.576 16.223 1.00 62.43 C ATOM 36 C SER A 3 1.997 4.391 15.247 1.00 61.11 C ATOM 37 O SER A 3 1.702 4.501 14.043 1.00 74.13 O ATOM 38 CB SER A 3 3.163 6.182 16.617 1.00 0.34 C ATOM 39 OG SER A 3 3.000 7.267 17.511 1.00 3.15 O ATOM 0 H SER A 3 1.569 5.361 18.307 1.00 2.30 H new ATOM 0 HA SER A 3 1.203 6.328 15.706 1.00 62.43 H new ATOM 0 HB2 SER A 3 3.785 5.416 17.080 1.00 0.34 H new ATOM 0 HB3 SER A 3 3.686 6.519 15.722 1.00 0.34 H new ATOM 0 HG SER A 3 3.879 7.632 17.746 1.00 3.15 H new ATOM 45 N THR A 4 2.464 3.251 15.800 1.00 2.31 N ATOM 46 CA THR A 4 2.724 2.035 15.017 1.00 63.42 C ATOM 47 C THR A 4 1.413 1.418 14.508 1.00 12.13 C ATOM 48 O THR A 4 1.323 1.060 13.341 1.00 54.32 O ATOM 49 CB THR A 4 3.531 0.973 15.834 1.00 41.15 C ATOM 50 OG1 THR A 4 4.741 1.560 16.348 1.00 10.55 O ATOM 51 CG2 THR A 4 3.891 -0.261 14.986 1.00 52.30 C ATOM 0 H THR A 4 2.668 3.153 16.794 1.00 2.31 H new ATOM 0 HA THR A 4 3.331 2.334 14.163 1.00 63.42 H new ATOM 0 HB THR A 4 2.892 0.646 16.654 1.00 41.15 H new ATOM 0 HG1 THR A 4 5.463 0.898 16.321 1.00 10.55 H new ATOM 0 HG21 THR A 4 4.451 -0.971 15.595 1.00 52.30 H new ATOM 0 HG22 THR A 4 2.977 -0.734 14.625 1.00 52.30 H new ATOM 0 HG23 THR A 4 4.500 0.047 14.136 1.00 52.30 H new ATOM 59 N VAL A 5 0.397 1.333 15.387 1.00 71.42 N ATOM 60 CA VAL A 5 -0.907 0.721 15.057 1.00 73.23 C ATOM 61 C VAL A 5 -1.607 1.497 13.925 1.00 55.14 C ATOM 62 O VAL A 5 -2.184 0.886 13.022 1.00 14.40 O ATOM 63 CB VAL A 5 -1.848 0.632 16.321 1.00 31.12 C ATOM 64 CG1 VAL A 5 -3.264 0.110 15.959 1.00 3.41 C ATOM 65 CG2 VAL A 5 -1.199 -0.245 17.417 1.00 21.21 C ATOM 0 H VAL A 5 0.455 1.685 16.343 1.00 71.42 H new ATOM 0 HA VAL A 5 -0.709 -0.295 14.716 1.00 73.23 H new ATOM 0 HB VAL A 5 -1.971 1.643 16.709 1.00 31.12 H new ATOM 0 HG11 VAL A 5 -3.877 0.065 16.860 1.00 3.41 H new ATOM 0 HG12 VAL A 5 -3.727 0.784 15.238 1.00 3.41 H new ATOM 0 HG13 VAL A 5 -3.184 -0.887 15.525 1.00 3.41 H new ATOM 0 HG21 VAL A 5 -1.861 -0.296 18.282 1.00 21.21 H new ATOM 0 HG22 VAL A 5 -1.032 -1.249 17.028 1.00 21.21 H new ATOM 0 HG23 VAL A 5 -0.246 0.191 17.715 1.00 21.21 H new ATOM 75 N GLU A 6 -1.514 2.840 13.974 1.00 41.25 N ATOM 76 CA GLU A 6 -2.079 3.711 12.933 1.00 62.11 C ATOM 77 C GLU A 6 -1.295 3.565 11.624 1.00 0.05 C ATOM 78 O GLU A 6 -1.887 3.530 10.558 1.00 2.42 O ATOM 79 CB GLU A 6 -2.099 5.199 13.383 1.00 52.45 C ATOM 80 CG GLU A 6 -3.018 5.484 14.586 1.00 54.25 C ATOM 81 CD GLU A 6 -4.466 5.028 14.362 1.00 45.21 C ATOM 82 OE1 GLU A 6 -5.207 5.718 13.624 1.00 42.24 O ATOM 83 OE2 GLU A 6 -4.874 3.988 14.924 1.00 15.32 O ATOM 0 H GLU A 6 -1.050 3.344 14.729 1.00 41.25 H new ATOM 0 HA GLU A 6 -3.109 3.397 12.766 1.00 62.11 H new ATOM 0 HB2 GLU A 6 -1.084 5.504 13.636 1.00 52.45 H new ATOM 0 HB3 GLU A 6 -2.417 5.816 12.543 1.00 52.45 H new ATOM 0 HG2 GLU A 6 -2.618 4.982 15.467 1.00 54.25 H new ATOM 0 HG3 GLU A 6 -3.009 6.553 14.796 1.00 54.25 H new ATOM 90 N PHE A 7 0.041 3.461 11.728 1.00 72.23 N ATOM 91 CA PHE A 7 0.924 3.325 10.552 1.00 22.22 C ATOM 92 C PHE A 7 0.659 1.978 9.823 1.00 54.10 C ATOM 93 O PHE A 7 0.609 1.929 8.586 1.00 73.40 O ATOM 94 CB PHE A 7 2.406 3.459 10.988 1.00 31.33 C ATOM 95 CG PHE A 7 3.391 3.705 9.847 1.00 13.13 C ATOM 96 CD1 PHE A 7 3.393 4.921 9.152 1.00 74.34 C ATOM 97 CD2 PHE A 7 4.321 2.742 9.478 1.00 55.30 C ATOM 98 CE1 PHE A 7 4.304 5.152 8.131 1.00 61.50 C ATOM 99 CE2 PHE A 7 5.217 2.984 8.461 1.00 2.53 C ATOM 100 CZ PHE A 7 5.210 4.182 7.786 1.00 43.31 C ATOM 0 H PHE A 7 0.537 3.468 12.619 1.00 72.23 H new ATOM 0 HA PHE A 7 0.706 4.125 9.845 1.00 22.22 H new ATOM 0 HB2 PHE A 7 2.487 4.279 11.702 1.00 31.33 H new ATOM 0 HB3 PHE A 7 2.699 2.549 11.512 1.00 31.33 H new ATOM 0 HD1 PHE A 7 2.678 5.687 9.413 1.00 74.34 H new ATOM 0 HD2 PHE A 7 4.342 1.793 9.994 1.00 55.30 H new ATOM 0 HE1 PHE A 7 4.300 6.097 7.608 1.00 61.50 H new ATOM 0 HE2 PHE A 7 5.934 2.223 8.190 1.00 2.53 H new ATOM 0 HZ PHE A 7 5.915 4.358 6.987 1.00 43.31 H new ATOM 110 N ILE A 8 0.443 0.902 10.619 1.00 31.44 N ATOM 111 CA ILE A 8 0.048 -0.434 10.113 1.00 51.12 C ATOM 112 C ILE A 8 -1.378 -0.371 9.539 1.00 13.40 C ATOM 113 O ILE A 8 -1.669 -1.014 8.545 1.00 11.03 O ATOM 114 CB ILE A 8 0.100 -1.543 11.240 1.00 21.01 C ATOM 115 CG1 ILE A 8 1.527 -1.652 11.857 1.00 32.33 C ATOM 116 CG2 ILE A 8 -0.369 -2.929 10.706 1.00 33.52 C ATOM 117 CD1 ILE A 8 1.612 -2.567 13.067 1.00 54.32 C ATOM 0 H ILE A 8 0.539 0.938 11.634 1.00 31.44 H new ATOM 0 HA ILE A 8 0.763 -0.709 9.338 1.00 51.12 H new ATOM 0 HB ILE A 8 -0.592 -1.235 12.024 1.00 21.01 H new ATOM 0 HG12 ILE A 8 2.215 -2.013 11.093 1.00 32.33 H new ATOM 0 HG13 ILE A 8 1.864 -0.656 12.144 1.00 32.33 H new ATOM 0 HG21 ILE A 8 -0.319 -3.664 11.509 1.00 33.52 H new ATOM 0 HG22 ILE A 8 -1.395 -2.852 10.347 1.00 33.52 H new ATOM 0 HG23 ILE A 8 0.279 -3.242 9.887 1.00 33.52 H new ATOM 0 HD11 ILE A 8 2.637 -2.588 13.436 1.00 54.32 H new ATOM 0 HD12 ILE A 8 0.952 -2.196 13.851 1.00 54.32 H new ATOM 0 HD13 ILE A 8 1.308 -3.575 12.783 1.00 54.32 H new ATOM 129 N ASN A 9 -2.247 0.426 10.196 1.00 12.34 N ATOM 130 CA ASN A 9 -3.640 0.677 9.753 1.00 41.52 C ATOM 131 C ASN A 9 -3.662 1.414 8.405 1.00 0.44 C ATOM 132 O ASN A 9 -4.601 1.274 7.617 1.00 2.54 O ATOM 133 CB ASN A 9 -4.404 1.489 10.837 1.00 2.30 C ATOM 134 CG ASN A 9 -5.824 1.902 10.438 1.00 74.31 C ATOM 135 OD1 ASN A 9 -6.043 3.003 9.927 1.00 44.43 O ATOM 136 ND2 ASN A 9 -6.792 1.021 10.646 1.00 64.14 N ATOM 0 H ASN A 9 -2.002 0.918 11.055 1.00 12.34 H new ATOM 0 HA ASN A 9 -4.139 -0.282 9.617 1.00 41.52 H new ATOM 0 HB2 ASN A 9 -4.455 0.895 11.749 1.00 2.30 H new ATOM 0 HB3 ASN A 9 -3.831 2.386 11.072 1.00 2.30 H new ATOM 0 HD21 ASN A 9 -7.751 1.245 10.381 1.00 64.14 H new ATOM 0 HD22 ASN A 9 -6.578 0.119 11.071 1.00 64.14 H new ATOM 143 N ARG A 10 -2.613 2.200 8.158 1.00 34.11 N ATOM 144 CA ARG A 10 -2.430 2.933 6.902 1.00 32.40 C ATOM 145 C ARG A 10 -1.827 2.012 5.826 1.00 2.51 C ATOM 146 O ARG A 10 -2.078 2.207 4.635 1.00 71.45 O ATOM 147 CB ARG A 10 -1.564 4.186 7.156 1.00 45.15 C ATOM 148 CG ARG A 10 -2.248 5.232 8.062 1.00 11.43 C ATOM 149 CD ARG A 10 -1.313 6.362 8.524 1.00 32.44 C ATOM 150 NE ARG A 10 -1.899 7.088 9.664 1.00 73.34 N ATOM 151 CZ ARG A 10 -1.321 8.102 10.317 1.00 35.30 C ATOM 152 NH1 ARG A 10 -0.124 8.557 9.962 1.00 24.54 N ATOM 153 NH2 ARG A 10 -1.942 8.643 11.354 1.00 73.23 N ATOM 0 H ARG A 10 -1.859 2.348 8.829 1.00 34.11 H new ATOM 0 HA ARG A 10 -3.396 3.268 6.526 1.00 32.40 H new ATOM 0 HB2 ARG A 10 -0.622 3.881 7.613 1.00 45.15 H new ATOM 0 HB3 ARG A 10 -1.319 4.649 6.200 1.00 45.15 H new ATOM 0 HG2 ARG A 10 -3.091 5.668 7.525 1.00 11.43 H new ATOM 0 HG3 ARG A 10 -2.654 4.728 8.939 1.00 11.43 H new ATOM 0 HD2 ARG A 10 -0.346 5.947 8.809 1.00 32.44 H new ATOM 0 HD3 ARG A 10 -1.134 7.052 7.700 1.00 32.44 H new ATOM 0 HE ARG A 10 -2.822 6.793 9.982 1.00 73.34 H new ATOM 0 HH11 ARG A 10 0.371 8.132 9.178 1.00 24.54 H new ATOM 0 HH12 ARG A 10 0.299 9.331 10.473 1.00 24.54 H new ATOM 0 HH21 ARG A 10 -2.851 8.286 11.647 1.00 73.23 H new ATOM 0 HH22 ARG A 10 -1.511 9.417 11.860 1.00 73.23 H new ATOM 167 N TRP A 11 -1.040 1.001 6.255 1.00 41.44 N ATOM 168 CA TRP A 11 -0.625 -0.101 5.359 1.00 23.32 C ATOM 169 C TRP A 11 -1.820 -1.017 5.036 1.00 25.32 C ATOM 170 O TRP A 11 -1.899 -1.552 3.927 1.00 72.02 O ATOM 171 CB TRP A 11 0.546 -0.932 5.952 1.00 72.11 C ATOM 172 CG TRP A 11 1.881 -0.217 5.960 1.00 4.14 C ATOM 173 CD1 TRP A 11 2.659 0.064 7.046 1.00 53.30 C ATOM 174 CD2 TRP A 11 2.595 0.306 4.816 1.00 54.43 C ATOM 175 NE1 TRP A 11 3.806 0.699 6.655 1.00 23.10 N ATOM 176 CE2 TRP A 11 3.791 0.865 5.299 1.00 41.20 C ATOM 177 CE3 TRP A 11 2.343 0.355 3.436 1.00 5.51 C ATOM 178 CZ2 TRP A 11 4.733 1.462 4.462 1.00 2.43 C ATOM 179 CZ3 TRP A 11 3.277 0.949 2.604 1.00 33.51 C ATOM 180 CH2 TRP A 11 4.462 1.494 3.119 1.00 2.42 C ATOM 0 H TRP A 11 -0.682 0.925 7.207 1.00 41.44 H new ATOM 0 HA TRP A 11 -0.266 0.356 4.437 1.00 23.32 H new ATOM 0 HB2 TRP A 11 0.293 -1.215 6.974 1.00 72.11 H new ATOM 0 HB3 TRP A 11 0.646 -1.855 5.381 1.00 72.11 H new ATOM 0 HD1 TRP A 11 2.405 -0.180 8.067 1.00 53.30 H new ATOM 0 HE1 TRP A 11 4.555 1.001 7.278 1.00 23.10 H new ATOM 0 HE3 TRP A 11 1.435 -0.064 3.029 1.00 5.51 H new ATOM 0 HZ2 TRP A 11 5.644 1.884 4.858 1.00 2.43 H new ATOM 0 HZ3 TRP A 11 3.090 0.993 1.541 1.00 33.51 H new ATOM 0 HH2 TRP A 11 5.174 1.947 2.445 1.00 2.42 H new ATOM 191 N GLN A 12 -2.749 -1.182 6.017 1.00 55.23 N ATOM 192 CA GLN A 12 -4.032 -1.884 5.800 1.00 41.22 C ATOM 193 C GLN A 12 -4.803 -1.128 4.722 1.00 21.33 C ATOM 194 O GLN A 12 -5.239 -1.703 3.745 1.00 41.14 O ATOM 195 CB GLN A 12 -4.913 -1.958 7.094 1.00 15.31 C ATOM 196 CG GLN A 12 -4.338 -2.786 8.254 1.00 10.02 C ATOM 197 CD GLN A 12 -5.290 -2.887 9.457 1.00 25.33 C ATOM 198 OE1 GLN A 12 -5.258 -2.060 10.369 1.00 20.20 O ATOM 199 NE2 GLN A 12 -6.157 -3.887 9.459 1.00 13.22 N ATOM 0 H GLN A 12 -2.626 -0.834 6.968 1.00 55.23 H new ATOM 0 HA GLN A 12 -3.810 -2.909 5.505 1.00 41.22 H new ATOM 0 HB2 GLN A 12 -5.087 -0.942 7.450 1.00 15.31 H new ATOM 0 HB3 GLN A 12 -5.885 -2.372 6.825 1.00 15.31 H new ATOM 0 HG2 GLN A 12 -4.108 -3.789 7.896 1.00 10.02 H new ATOM 0 HG3 GLN A 12 -3.398 -2.340 8.579 1.00 10.02 H new ATOM 0 HE21 GLN A 12 -6.163 -4.559 8.691 1.00 13.22 H new ATOM 0 HE22 GLN A 12 -6.819 -3.986 10.228 1.00 13.22 H new ATOM 208 N ARG A 13 -4.880 0.195 4.925 1.00 50.25 N ATOM 209 CA ARG A 13 -5.602 1.133 4.061 1.00 54.24 C ATOM 210 C ARG A 13 -5.160 0.992 2.581 1.00 21.02 C ATOM 211 O ARG A 13 -5.996 0.742 1.708 1.00 70.41 O ATOM 212 CB ARG A 13 -5.361 2.574 4.591 1.00 52.05 C ATOM 213 CG ARG A 13 -6.101 3.691 3.840 1.00 73.25 C ATOM 214 CD ARG A 13 -7.624 3.631 3.992 1.00 40.45 C ATOM 215 NE ARG A 13 -8.277 4.742 3.278 1.00 11.42 N ATOM 216 CZ ARG A 13 -9.594 4.987 3.273 1.00 24.43 C ATOM 217 NH1 ARG A 13 -10.445 4.195 3.931 1.00 63.40 N ATOM 218 NH2 ARG A 13 -10.061 6.038 2.601 1.00 13.11 N ATOM 0 H ARG A 13 -4.429 0.652 5.717 1.00 50.25 H new ATOM 0 HA ARG A 13 -6.668 0.909 4.088 1.00 54.24 H new ATOM 0 HB2 ARG A 13 -5.655 2.610 5.640 1.00 52.05 H new ATOM 0 HB3 ARG A 13 -4.292 2.782 4.552 1.00 52.05 H new ATOM 0 HG2 ARG A 13 -5.746 4.656 4.201 1.00 73.25 H new ATOM 0 HG3 ARG A 13 -5.848 3.634 2.781 1.00 73.25 H new ATOM 0 HD2 ARG A 13 -7.993 2.681 3.606 1.00 40.45 H new ATOM 0 HD3 ARG A 13 -7.888 3.670 5.049 1.00 40.45 H new ATOM 0 HE ARG A 13 -7.679 5.374 2.746 1.00 11.42 H new ATOM 0 HH11 ARG A 13 -10.095 3.389 4.448 1.00 63.40 H new ATOM 0 HH12 ARG A 13 -11.445 4.397 3.916 1.00 63.40 H new ATOM 0 HH21 ARG A 13 -9.417 6.648 2.096 1.00 13.11 H new ATOM 0 HH22 ARG A 13 -11.062 6.233 2.591 1.00 13.11 H new ATOM 232 N ILE A 14 -3.828 1.097 2.327 1.00 62.11 N ATOM 233 CA ILE A 14 -3.265 0.976 0.959 1.00 61.52 C ATOM 234 C ILE A 14 -3.549 -0.436 0.383 1.00 52.10 C ATOM 235 O ILE A 14 -4.068 -0.565 -0.736 1.00 30.42 O ATOM 236 CB ILE A 14 -1.704 1.247 0.912 1.00 53.42 C ATOM 237 CG1 ILE A 14 -1.326 2.623 1.536 1.00 2.20 C ATOM 238 CG2 ILE A 14 -1.168 1.170 -0.539 1.00 62.42 C ATOM 239 CD1 ILE A 14 0.174 2.914 1.538 1.00 34.44 C ATOM 0 H ILE A 14 -3.128 1.265 3.050 1.00 62.11 H new ATOM 0 HA ILE A 14 -3.755 1.739 0.355 1.00 61.52 H new ATOM 0 HB ILE A 14 -1.237 0.465 1.510 1.00 53.42 H new ATOM 0 HG12 ILE A 14 -1.838 3.413 0.986 1.00 2.20 H new ATOM 0 HG13 ILE A 14 -1.694 2.659 2.561 1.00 2.20 H new ATOM 0 HG21 ILE A 14 -0.095 1.360 -0.541 1.00 62.42 H new ATOM 0 HG22 ILE A 14 -1.362 0.178 -0.946 1.00 62.42 H new ATOM 0 HG23 ILE A 14 -1.670 1.918 -1.152 1.00 62.42 H new ATOM 0 HD11 ILE A 14 0.355 3.890 1.989 1.00 34.44 H new ATOM 0 HD12 ILE A 14 0.693 2.147 2.113 1.00 34.44 H new ATOM 0 HD13 ILE A 14 0.546 2.913 0.514 1.00 34.44 H new ATOM 251 N ALA A 15 -3.238 -1.479 1.194 1.00 21.45 N ATOM 252 CA ALA A 15 -3.354 -2.905 0.797 1.00 22.11 C ATOM 253 C ALA A 15 -4.787 -3.283 0.391 1.00 62.20 C ATOM 254 O ALA A 15 -5.008 -3.951 -0.627 1.00 45.42 O ATOM 255 CB ALA A 15 -2.891 -3.807 1.953 1.00 2.21 C ATOM 0 H ALA A 15 -2.898 -1.353 2.147 1.00 21.45 H new ATOM 0 HA ALA A 15 -2.716 -3.052 -0.074 1.00 22.11 H new ATOM 0 HB1 ALA A 15 -2.978 -4.852 1.656 1.00 2.21 H new ATOM 0 HB2 ALA A 15 -1.852 -3.584 2.195 1.00 2.21 H new ATOM 0 HB3 ALA A 15 -3.514 -3.625 2.829 1.00 2.21 H new ATOM 261 N LEU A 16 -5.743 -2.816 1.198 1.00 73.43 N ATOM 262 CA LEU A 16 -7.173 -3.172 1.067 1.00 44.50 C ATOM 263 C LEU A 16 -7.800 -2.452 -0.126 1.00 61.20 C ATOM 264 O LEU A 16 -8.529 -3.068 -0.913 1.00 2.23 O ATOM 265 CB LEU A 16 -7.960 -2.834 2.370 1.00 13.32 C ATOM 266 CG LEU A 16 -7.580 -3.664 3.641 1.00 3.31 C ATOM 267 CD1 LEU A 16 -8.395 -3.195 4.872 1.00 72.41 C ATOM 268 CD2 LEU A 16 -7.730 -5.178 3.391 1.00 13.32 C ATOM 0 H LEU A 16 -5.553 -2.175 1.969 1.00 73.43 H new ATOM 0 HA LEU A 16 -7.233 -4.248 0.901 1.00 44.50 H new ATOM 0 HB2 LEU A 16 -7.814 -1.777 2.594 1.00 13.32 H new ATOM 0 HB3 LEU A 16 -9.023 -2.974 2.174 1.00 13.32 H new ATOM 0 HG LEU A 16 -6.527 -3.483 3.859 1.00 3.31 H new ATOM 0 HD11 LEU A 16 -8.113 -3.787 5.742 1.00 72.41 H new ATOM 0 HD12 LEU A 16 -8.188 -2.143 5.066 1.00 72.41 H new ATOM 0 HD13 LEU A 16 -9.459 -3.325 4.675 1.00 72.41 H new ATOM 0 HD21 LEU A 16 -7.458 -5.725 4.294 1.00 13.32 H new ATOM 0 HD22 LEU A 16 -8.764 -5.403 3.128 1.00 13.32 H new ATOM 0 HD23 LEU A 16 -7.074 -5.479 2.574 1.00 13.32 H new ATOM 280 N LEU A 17 -7.506 -1.139 -0.251 1.00 3.34 N ATOM 281 CA LEU A 17 -8.020 -0.318 -1.362 1.00 43.41 C ATOM 282 C LEU A 17 -7.547 -0.891 -2.709 1.00 4.03 C ATOM 283 O LEU A 17 -8.373 -1.194 -3.570 1.00 0.04 O ATOM 284 CB LEU A 17 -7.610 1.180 -1.208 1.00 1.53 C ATOM 285 CG LEU A 17 -8.278 1.946 -0.016 1.00 32.02 C ATOM 286 CD1 LEU A 17 -7.732 3.386 0.107 1.00 24.11 C ATOM 287 CD2 LEU A 17 -9.818 1.932 -0.132 1.00 4.33 C ATOM 0 H LEU A 17 -6.915 -0.628 0.405 1.00 3.34 H new ATOM 0 HA LEU A 17 -9.109 -0.354 -1.335 1.00 43.41 H new ATOM 0 HB2 LEU A 17 -6.528 1.231 -1.088 1.00 1.53 H new ATOM 0 HB3 LEU A 17 -7.853 1.702 -2.134 1.00 1.53 H new ATOM 0 HG LEU A 17 -8.014 1.420 0.901 1.00 32.02 H new ATOM 0 HD11 LEU A 17 -8.217 3.889 0.944 1.00 24.11 H new ATOM 0 HD12 LEU A 17 -6.656 3.354 0.277 1.00 24.11 H new ATOM 0 HD13 LEU A 17 -7.938 3.933 -0.813 1.00 24.11 H new ATOM 0 HD21 LEU A 17 -10.251 2.472 0.710 1.00 4.33 H new ATOM 0 HD22 LEU A 17 -10.117 2.413 -1.064 1.00 4.33 H new ATOM 0 HD23 LEU A 17 -10.174 0.902 -0.125 1.00 4.33 H new ATOM 299 N SER A 18 -6.225 -1.127 -2.825 1.00 32.53 N ATOM 300 CA SER A 18 -5.595 -1.617 -4.070 1.00 25.53 C ATOM 301 C SER A 18 -6.055 -3.047 -4.426 1.00 71.13 C ATOM 302 O SER A 18 -6.212 -3.370 -5.609 1.00 1.23 O ATOM 303 CB SER A 18 -4.065 -1.594 -3.923 1.00 52.32 C ATOM 304 OG SER A 18 -3.652 -2.404 -2.833 1.00 52.12 O ATOM 0 H SER A 18 -5.564 -0.984 -2.061 1.00 32.53 H new ATOM 0 HA SER A 18 -5.905 -0.954 -4.878 1.00 25.53 H new ATOM 0 HB2 SER A 18 -3.601 -1.950 -4.843 1.00 52.32 H new ATOM 0 HB3 SER A 18 -3.725 -0.570 -3.770 1.00 52.32 H new ATOM 0 HG SER A 18 -3.766 -1.908 -1.995 1.00 52.12 H new ATOM 310 N GLN A 19 -6.242 -3.902 -3.389 1.00 2.04 N ATOM 311 CA GLN A 19 -6.722 -5.291 -3.568 1.00 74.53 C ATOM 312 C GLN A 19 -8.137 -5.305 -4.157 1.00 72.23 C ATOM 313 O GLN A 19 -8.444 -6.078 -5.090 1.00 75.43 O ATOM 314 CB GLN A 19 -6.685 -6.065 -2.221 1.00 21.22 C ATOM 315 CG GLN A 19 -7.039 -7.565 -2.318 1.00 13.01 C ATOM 316 CD GLN A 19 -6.188 -8.313 -3.347 1.00 73.15 C ATOM 317 OE1 GLN A 19 -6.573 -8.442 -4.511 1.00 61.14 O ATOM 318 NE2 GLN A 19 -5.018 -8.789 -2.938 1.00 42.43 N ATOM 0 H GLN A 19 -6.066 -3.650 -2.417 1.00 2.04 H new ATOM 0 HA GLN A 19 -6.054 -5.792 -4.269 1.00 74.53 H new ATOM 0 HB2 GLN A 19 -5.687 -5.970 -1.792 1.00 21.22 H new ATOM 0 HB3 GLN A 19 -7.377 -5.588 -1.527 1.00 21.22 H new ATOM 0 HG2 GLN A 19 -6.908 -8.028 -1.340 1.00 13.01 H new ATOM 0 HG3 GLN A 19 -8.092 -7.668 -2.581 1.00 13.01 H new ATOM 0 HE21 GLN A 19 -4.728 -8.666 -1.968 1.00 42.43 H new ATOM 0 HE22 GLN A 19 -4.409 -9.278 -3.594 1.00 42.43 H new ATOM 327 N SER A 20 -8.990 -4.426 -3.605 1.00 74.02 N ATOM 328 CA SER A 20 -10.344 -4.213 -4.121 1.00 2.55 C ATOM 329 C SER A 20 -10.277 -3.748 -5.582 1.00 51.32 C ATOM 330 O SER A 20 -10.960 -4.302 -6.432 1.00 42.13 O ATOM 331 CB SER A 20 -11.100 -3.181 -3.264 1.00 2.33 C ATOM 332 OG SER A 20 -11.138 -3.579 -1.895 1.00 31.24 O ATOM 0 H SER A 20 -8.759 -3.850 -2.796 1.00 74.02 H new ATOM 0 HA SER A 20 -10.888 -5.156 -4.072 1.00 2.55 H new ATOM 0 HB2 SER A 20 -10.616 -2.208 -3.350 1.00 2.33 H new ATOM 0 HB3 SER A 20 -12.116 -3.066 -3.641 1.00 2.33 H new ATOM 0 HG SER A 20 -10.260 -3.431 -1.487 1.00 31.24 H new ATOM 338 N LEU A 21 -9.382 -2.775 -5.862 1.00 23.11 N ATOM 339 CA LEU A 21 -9.211 -2.201 -7.208 1.00 62.13 C ATOM 340 C LEU A 21 -8.708 -3.258 -8.210 1.00 61.21 C ATOM 341 O LEU A 21 -9.010 -3.170 -9.398 1.00 23.32 O ATOM 342 CB LEU A 21 -8.242 -0.980 -7.185 1.00 60.23 C ATOM 343 CG LEU A 21 -8.661 0.233 -6.296 1.00 40.42 C ATOM 344 CD1 LEU A 21 -7.715 1.445 -6.500 1.00 5.23 C ATOM 345 CD2 LEU A 21 -10.136 0.601 -6.516 1.00 54.54 C ATOM 0 H LEU A 21 -8.762 -2.369 -5.162 1.00 23.11 H new ATOM 0 HA LEU A 21 -10.192 -1.856 -7.536 1.00 62.13 H new ATOM 0 HB2 LEU A 21 -7.265 -1.327 -6.848 1.00 60.23 H new ATOM 0 HB3 LEU A 21 -8.118 -0.625 -8.208 1.00 60.23 H new ATOM 0 HG LEU A 21 -8.560 -0.068 -5.253 1.00 40.42 H new ATOM 0 HD11 LEU A 21 -8.038 2.270 -5.865 1.00 5.23 H new ATOM 0 HD12 LEU A 21 -6.697 1.160 -6.235 1.00 5.23 H new ATOM 0 HD13 LEU A 21 -7.744 1.758 -7.544 1.00 5.23 H new ATOM 0 HD21 LEU A 21 -10.398 1.449 -5.883 1.00 54.54 H new ATOM 0 HD22 LEU A 21 -10.293 0.866 -7.562 1.00 54.54 H new ATOM 0 HD23 LEU A 21 -10.766 -0.251 -6.260 1.00 54.54 H new ATOM 357 N LEU A 22 -7.950 -4.255 -7.710 1.00 22.20 N ATOM 358 CA LEU A 22 -7.425 -5.342 -8.546 1.00 72.25 C ATOM 359 C LEU A 22 -8.573 -6.269 -8.989 1.00 25.50 C ATOM 360 O LEU A 22 -8.740 -6.527 -10.195 1.00 21.14 O ATOM 361 CB LEU A 22 -6.310 -6.139 -7.808 1.00 50.03 C ATOM 362 CG LEU A 22 -5.579 -7.233 -8.660 1.00 21.40 C ATOM 363 CD1 LEU A 22 -4.944 -6.634 -9.938 1.00 63.34 C ATOM 364 CD2 LEU A 22 -4.528 -7.985 -7.816 1.00 70.33 C ATOM 0 H LEU A 22 -7.690 -4.325 -6.726 1.00 22.20 H new ATOM 0 HA LEU A 22 -6.971 -4.903 -9.434 1.00 72.25 H new ATOM 0 HB2 LEU A 22 -5.565 -5.432 -7.442 1.00 50.03 H new ATOM 0 HB3 LEU A 22 -6.750 -6.619 -6.934 1.00 50.03 H new ATOM 0 HG LEU A 22 -6.332 -7.953 -8.979 1.00 21.40 H new ATOM 0 HD11 LEU A 22 -4.447 -7.423 -10.502 1.00 63.34 H new ATOM 0 HD12 LEU A 22 -5.722 -6.183 -10.554 1.00 63.34 H new ATOM 0 HD13 LEU A 22 -4.215 -5.873 -9.660 1.00 63.34 H new ATOM 0 HD21 LEU A 22 -4.037 -8.738 -8.433 1.00 70.33 H new ATOM 0 HD22 LEU A 22 -3.785 -7.278 -7.446 1.00 70.33 H new ATOM 0 HD23 LEU A 22 -5.019 -8.471 -6.973 1.00 70.33 H new ATOM 376 N GLU A 23 -9.390 -6.726 -8.009 1.00 61.34 N ATOM 377 CA GLU A 23 -10.574 -7.574 -8.291 1.00 24.23 C ATOM 378 C GLU A 23 -11.590 -6.842 -9.192 1.00 74.13 C ATOM 379 O GLU A 23 -12.110 -7.421 -10.155 1.00 14.14 O ATOM 380 CB GLU A 23 -11.260 -8.051 -6.980 1.00 11.12 C ATOM 381 CG GLU A 23 -10.467 -9.124 -6.193 1.00 62.22 C ATOM 382 CD GLU A 23 -11.355 -9.937 -5.230 1.00 41.53 C ATOM 383 OE1 GLU A 23 -11.154 -9.874 -3.999 1.00 52.33 O ATOM 384 OE2 GLU A 23 -12.285 -10.632 -5.719 1.00 42.44 O ATOM 0 H GLU A 23 -9.251 -6.522 -7.019 1.00 61.34 H new ATOM 0 HA GLU A 23 -10.215 -8.454 -8.826 1.00 24.23 H new ATOM 0 HB2 GLU A 23 -11.419 -7.188 -6.333 1.00 11.12 H new ATOM 0 HB3 GLU A 23 -12.244 -8.451 -7.225 1.00 11.12 H new ATOM 0 HG2 GLU A 23 -9.986 -9.803 -6.897 1.00 62.22 H new ATOM 0 HG3 GLU A 23 -9.673 -8.639 -5.625 1.00 62.22 H new ATOM 391 N LEU A 24 -11.822 -5.555 -8.883 1.00 42.11 N ATOM 392 CA LEU A 24 -12.764 -4.695 -9.623 1.00 64.44 C ATOM 393 C LEU A 24 -12.302 -4.506 -11.079 1.00 64.44 C ATOM 394 O LEU A 24 -13.118 -4.535 -11.993 1.00 54.41 O ATOM 395 CB LEU A 24 -12.925 -3.318 -8.908 1.00 15.35 C ATOM 396 CG LEU A 24 -13.643 -3.340 -7.521 1.00 14.32 C ATOM 397 CD1 LEU A 24 -13.563 -1.958 -6.827 1.00 11.01 C ATOM 398 CD2 LEU A 24 -15.100 -3.833 -7.652 1.00 31.03 C ATOM 0 H LEU A 24 -11.359 -5.079 -8.109 1.00 42.11 H new ATOM 0 HA LEU A 24 -13.737 -5.187 -9.640 1.00 64.44 H new ATOM 0 HB2 LEU A 24 -11.934 -2.884 -8.774 1.00 15.35 H new ATOM 0 HB3 LEU A 24 -13.478 -2.651 -9.569 1.00 15.35 H new ATOM 0 HG LEU A 24 -13.118 -4.052 -6.884 1.00 14.32 H new ATOM 0 HD11 LEU A 24 -14.071 -2.004 -5.864 1.00 11.01 H new ATOM 0 HD12 LEU A 24 -12.518 -1.688 -6.673 1.00 11.01 H new ATOM 0 HD13 LEU A 24 -14.043 -1.207 -7.455 1.00 11.01 H new ATOM 0 HD21 LEU A 24 -15.572 -3.837 -6.670 1.00 31.03 H new ATOM 0 HD22 LEU A 24 -15.651 -3.168 -8.317 1.00 31.03 H new ATOM 0 HD23 LEU A 24 -15.107 -4.843 -8.062 1.00 31.03 H new ATOM 410 N ALA A 25 -10.979 -4.347 -11.276 1.00 63.54 N ATOM 411 CA ALA A 25 -10.370 -4.197 -12.618 1.00 55.42 C ATOM 412 C ALA A 25 -10.568 -5.456 -13.471 1.00 24.51 C ATOM 413 O ALA A 25 -10.846 -5.365 -14.672 1.00 74.34 O ATOM 414 CB ALA A 25 -8.882 -3.883 -12.485 1.00 42.32 C ATOM 0 H ALA A 25 -10.302 -4.319 -10.514 1.00 63.54 H new ATOM 0 HA ALA A 25 -10.871 -3.371 -13.122 1.00 55.42 H new ATOM 0 HB1 ALA A 25 -8.443 -3.775 -13.477 1.00 42.32 H new ATOM 0 HB2 ALA A 25 -8.754 -2.955 -11.928 1.00 42.32 H new ATOM 0 HB3 ALA A 25 -8.385 -4.695 -11.955 1.00 42.32 H new ATOM 420 N GLN A 26 -10.419 -6.630 -12.822 1.00 50.53 N ATOM 421 CA GLN A 26 -10.712 -7.949 -13.436 1.00 75.55 C ATOM 422 C GLN A 26 -12.193 -8.033 -13.876 1.00 73.21 C ATOM 423 O GLN A 26 -12.512 -8.583 -14.936 1.00 45.42 O ATOM 424 CB GLN A 26 -10.408 -9.080 -12.418 1.00 51.43 C ATOM 425 CG GLN A 26 -8.935 -9.173 -11.951 1.00 41.15 C ATOM 426 CD GLN A 26 -8.747 -10.078 -10.723 1.00 35.14 C ATOM 427 OE1 GLN A 26 -9.492 -11.037 -10.515 1.00 24.20 O ATOM 428 NE2 GLN A 26 -7.762 -9.764 -9.888 1.00 24.12 N ATOM 0 H GLN A 26 -10.092 -6.694 -11.858 1.00 50.53 H new ATOM 0 HA GLN A 26 -10.080 -8.067 -14.316 1.00 75.55 H new ATOM 0 HB2 GLN A 26 -11.041 -8.937 -11.542 1.00 51.43 H new ATOM 0 HB3 GLN A 26 -10.691 -10.033 -12.864 1.00 51.43 H new ATOM 0 HG2 GLN A 26 -8.324 -9.551 -12.770 1.00 41.15 H new ATOM 0 HG3 GLN A 26 -8.571 -8.173 -11.717 1.00 41.15 H new ATOM 0 HE21 GLN A 26 -7.161 -8.964 -10.086 1.00 24.12 H new ATOM 0 HE22 GLN A 26 -7.607 -10.323 -9.049 1.00 24.12 H new ATOM 437 N ARG A 27 -13.082 -7.476 -13.036 1.00 10.34 N ATOM 438 CA ARG A 27 -14.546 -7.463 -13.279 1.00 1.51 C ATOM 439 C ARG A 27 -14.968 -6.326 -14.241 1.00 12.50 C ATOM 440 O ARG A 27 -16.140 -6.242 -14.621 1.00 3.33 O ATOM 441 CB ARG A 27 -15.277 -7.339 -11.917 1.00 73.12 C ATOM 442 CG ARG A 27 -14.935 -8.483 -10.934 1.00 41.53 C ATOM 443 CD ARG A 27 -15.495 -8.270 -9.519 1.00 34.33 C ATOM 444 NE ARG A 27 -15.007 -9.297 -8.575 1.00 33.34 N ATOM 445 CZ ARG A 27 -15.754 -9.916 -7.644 1.00 54.13 C ATOM 446 NH1 ARG A 27 -17.048 -9.624 -7.501 1.00 14.41 N ATOM 447 NH2 ARG A 27 -15.185 -10.792 -6.826 1.00 25.34 N ATOM 0 H ARG A 27 -12.811 -7.019 -12.165 1.00 10.34 H new ATOM 0 HA ARG A 27 -14.827 -8.397 -13.766 1.00 1.51 H new ATOM 0 HB2 ARG A 27 -15.017 -6.385 -11.458 1.00 73.12 H new ATOM 0 HB3 ARG A 27 -16.353 -7.327 -12.090 1.00 73.12 H new ATOM 0 HG2 ARG A 27 -15.324 -9.420 -11.332 1.00 41.53 H new ATOM 0 HG3 ARG A 27 -13.852 -8.587 -10.874 1.00 41.53 H new ATOM 0 HD2 ARG A 27 -15.209 -7.281 -9.160 1.00 34.33 H new ATOM 0 HD3 ARG A 27 -16.584 -8.295 -9.552 1.00 34.33 H new ATOM 0 HE ARG A 27 -14.023 -9.558 -8.635 1.00 33.34 H new ATOM 0 HH11 ARG A 27 -17.482 -8.924 -8.102 1.00 14.41 H new ATOM 0 HH12 ARG A 27 -17.603 -10.101 -6.791 1.00 14.41 H new ATOM 0 HH21 ARG A 27 -14.188 -10.992 -6.906 1.00 25.34 H new ATOM 0 HH22 ARG A 27 -15.745 -11.266 -6.117 1.00 25.34 H new ATOM 461 N GLY A 28 -14.005 -5.461 -14.623 1.00 24.33 N ATOM 462 CA GLY A 28 -14.254 -4.363 -15.568 1.00 40.22 C ATOM 463 C GLY A 28 -14.938 -3.152 -14.935 1.00 21.54 C ATOM 464 O GLY A 28 -15.460 -2.282 -15.641 1.00 4.30 O ATOM 0 H GLY A 28 -13.043 -5.507 -14.286 1.00 24.33 H new ATOM 0 HA2 GLY A 28 -13.306 -4.048 -16.003 1.00 40.22 H new ATOM 0 HA3 GLY A 28 -14.873 -4.732 -16.386 1.00 40.22 H new ATOM 468 N GLU A 29 -14.917 -3.100 -13.595 1.00 12.31 N ATOM 469 CA GLU A 29 -15.466 -1.994 -12.786 1.00 4.05 C ATOM 470 C GLU A 29 -14.454 -0.835 -12.663 1.00 51.44 C ATOM 471 O GLU A 29 -14.203 -0.334 -11.558 1.00 12.22 O ATOM 472 CB GLU A 29 -15.836 -2.541 -11.379 1.00 33.40 C ATOM 473 CG GLU A 29 -16.871 -3.680 -11.369 1.00 30.00 C ATOM 474 CD GLU A 29 -18.248 -3.226 -11.873 1.00 1.15 C ATOM 475 OE1 GLU A 29 -19.027 -2.657 -11.075 1.00 53.13 O ATOM 476 OE2 GLU A 29 -18.555 -3.415 -13.070 1.00 5.33 O ATOM 0 H GLU A 29 -14.509 -3.842 -13.027 1.00 12.31 H new ATOM 0 HA GLU A 29 -16.355 -1.600 -13.278 1.00 4.05 H new ATOM 0 HB2 GLU A 29 -14.926 -2.894 -10.894 1.00 33.40 H new ATOM 0 HB3 GLU A 29 -16.220 -1.718 -10.776 1.00 33.40 H new ATOM 0 HG2 GLU A 29 -16.511 -4.499 -11.992 1.00 30.00 H new ATOM 0 HG3 GLU A 29 -16.969 -4.069 -10.356 1.00 30.00 H new ATOM 483 N TRP A 30 -13.925 -0.380 -13.815 1.00 3.54 N ATOM 484 CA TRP A 30 -12.902 0.681 -13.877 1.00 70.44 C ATOM 485 C TRP A 30 -13.434 2.004 -13.312 1.00 11.15 C ATOM 486 O TRP A 30 -12.659 2.812 -12.801 1.00 52.03 O ATOM 487 CB TRP A 30 -12.387 0.871 -15.328 1.00 50.34 C ATOM 488 CG TRP A 30 -11.759 -0.378 -15.908 1.00 72.32 C ATOM 489 CD1 TRP A 30 -12.347 -1.299 -16.731 1.00 20.31 C ATOM 490 CD2 TRP A 30 -10.419 -0.846 -15.686 1.00 65.42 C ATOM 491 NE1 TRP A 30 -11.460 -2.298 -17.030 1.00 33.34 N ATOM 492 CE2 TRP A 30 -10.271 -2.042 -16.408 1.00 3.32 C ATOM 493 CE3 TRP A 30 -9.330 -0.367 -14.951 1.00 63.53 C ATOM 494 CZ2 TRP A 30 -9.086 -2.765 -16.416 1.00 52.35 C ATOM 495 CZ3 TRP A 30 -8.152 -1.087 -14.960 1.00 50.31 C ATOM 496 CH2 TRP A 30 -8.036 -2.272 -15.689 1.00 5.05 C ATOM 0 H TRP A 30 -14.196 -0.739 -14.731 1.00 3.54 H new ATOM 0 HA TRP A 30 -12.064 0.366 -13.256 1.00 70.44 H new ATOM 0 HB2 TRP A 30 -13.217 1.181 -15.963 1.00 50.34 H new ATOM 0 HB3 TRP A 30 -11.655 1.678 -15.344 1.00 50.34 H new ATOM 0 HD1 TRP A 30 -13.363 -1.246 -17.092 1.00 20.31 H new ATOM 0 HE1 TRP A 30 -11.656 -3.105 -17.623 1.00 33.34 H new ATOM 0 HE3 TRP A 30 -9.409 0.550 -14.386 1.00 63.53 H new ATOM 0 HZ2 TRP A 30 -8.996 -3.684 -16.976 1.00 52.35 H new ATOM 0 HZ3 TRP A 30 -7.306 -0.727 -14.393 1.00 50.31 H new ATOM 0 HH2 TRP A 30 -7.100 -2.810 -15.679 1.00 5.05 H new ATOM 507 N ASP A 31 -14.771 2.187 -13.391 1.00 63.11 N ATOM 508 CA ASP A 31 -15.482 3.305 -12.737 1.00 5.23 C ATOM 509 C ASP A 31 -15.100 3.366 -11.247 1.00 11.00 C ATOM 510 O ASP A 31 -14.577 4.371 -10.766 1.00 32.53 O ATOM 511 CB ASP A 31 -17.024 3.134 -12.869 1.00 74.04 C ATOM 512 CG ASP A 31 -17.501 3.067 -14.324 1.00 43.04 C ATOM 513 OD1 ASP A 31 -17.777 4.128 -14.924 1.00 23.50 O ATOM 514 OD2 ASP A 31 -17.573 1.950 -14.886 1.00 12.14 O ATOM 0 H ASP A 31 -15.387 1.562 -13.911 1.00 63.11 H new ATOM 0 HA ASP A 31 -15.190 4.232 -13.231 1.00 5.23 H new ATOM 0 HB2 ASP A 31 -17.328 2.224 -12.351 1.00 74.04 H new ATOM 0 HB3 ASP A 31 -17.520 3.966 -12.369 1.00 74.04 H new ATOM 519 N LEU A 32 -15.293 2.225 -10.568 1.00 3.21 N ATOM 520 CA LEU A 32 -15.048 2.081 -9.125 1.00 40.30 C ATOM 521 C LEU A 32 -13.565 2.298 -8.783 1.00 34.13 C ATOM 522 O LEU A 32 -13.251 2.752 -7.686 1.00 45.00 O ATOM 523 CB LEU A 32 -15.546 0.694 -8.631 1.00 43.53 C ATOM 524 CG LEU A 32 -17.076 0.429 -8.794 1.00 70.34 C ATOM 525 CD1 LEU A 32 -17.448 -0.983 -8.299 1.00 32.21 C ATOM 526 CD2 LEU A 32 -17.914 1.515 -8.081 1.00 12.35 C ATOM 0 H LEU A 32 -15.627 1.368 -11.010 1.00 3.21 H new ATOM 0 HA LEU A 32 -15.613 2.854 -8.604 1.00 40.30 H new ATOM 0 HB2 LEU A 32 -15.002 -0.081 -9.171 1.00 43.53 H new ATOM 0 HB3 LEU A 32 -15.288 0.589 -7.577 1.00 43.53 H new ATOM 0 HG LEU A 32 -17.312 0.481 -9.857 1.00 70.34 H new ATOM 0 HD11 LEU A 32 -18.519 -1.142 -8.424 1.00 32.21 H new ATOM 0 HD12 LEU A 32 -16.901 -1.727 -8.878 1.00 32.21 H new ATOM 0 HD13 LEU A 32 -17.187 -1.080 -7.245 1.00 32.21 H new ATOM 0 HD21 LEU A 32 -18.975 1.301 -8.213 1.00 12.35 H new ATOM 0 HD22 LEU A 32 -17.675 1.519 -7.018 1.00 12.35 H new ATOM 0 HD23 LEU A 32 -17.684 2.491 -8.509 1.00 12.35 H new ATOM 538 N LEU A 33 -12.661 1.987 -9.742 1.00 15.41 N ATOM 539 CA LEU A 33 -11.224 2.306 -9.603 1.00 51.42 C ATOM 540 C LEU A 33 -10.998 3.824 -9.613 1.00 42.03 C ATOM 541 O LEU A 33 -10.227 4.327 -8.808 1.00 41.13 O ATOM 542 CB LEU A 33 -10.332 1.624 -10.694 1.00 11.24 C ATOM 543 CG LEU A 33 -9.983 0.118 -10.451 1.00 42.31 C ATOM 544 CD1 LEU A 33 -11.176 -0.805 -10.711 1.00 1.12 C ATOM 545 CD2 LEU A 33 -8.744 -0.309 -11.262 1.00 75.22 C ATOM 0 H LEU A 33 -12.902 1.518 -10.615 1.00 15.41 H new ATOM 0 HA LEU A 33 -10.916 1.898 -8.640 1.00 51.42 H new ATOM 0 HB2 LEU A 33 -10.840 1.708 -11.655 1.00 11.24 H new ATOM 0 HB3 LEU A 33 -9.400 2.184 -10.775 1.00 11.24 H new ATOM 0 HG LEU A 33 -9.737 0.016 -9.394 1.00 42.31 H new ATOM 0 HD11 LEU A 33 -10.883 -1.839 -10.529 1.00 1.12 H new ATOM 0 HD12 LEU A 33 -11.995 -0.537 -10.044 1.00 1.12 H new ATOM 0 HD13 LEU A 33 -11.501 -0.697 -11.746 1.00 1.12 H new ATOM 0 HD21 LEU A 33 -8.528 -1.360 -11.071 1.00 75.22 H new ATOM 0 HD22 LEU A 33 -8.938 -0.166 -12.325 1.00 75.22 H new ATOM 0 HD23 LEU A 33 -7.888 0.297 -10.965 1.00 75.22 H new ATOM 557 N LEU A 34 -11.695 4.533 -10.521 1.00 44.41 N ATOM 558 CA LEU A 34 -11.535 5.996 -10.700 1.00 4.35 C ATOM 559 C LEU A 34 -12.077 6.785 -9.487 1.00 64.34 C ATOM 560 O LEU A 34 -11.524 7.832 -9.129 1.00 53.12 O ATOM 561 CB LEU A 34 -12.233 6.475 -12.006 1.00 34.22 C ATOM 562 CG LEU A 34 -11.774 5.783 -13.331 1.00 53.00 C ATOM 563 CD1 LEU A 34 -12.539 6.339 -14.554 1.00 53.13 C ATOM 564 CD2 LEU A 34 -10.247 5.870 -13.522 1.00 23.02 C ATOM 0 H LEU A 34 -12.381 4.115 -11.149 1.00 44.41 H new ATOM 0 HA LEU A 34 -10.466 6.194 -10.778 1.00 4.35 H new ATOM 0 HB2 LEU A 34 -13.307 6.324 -11.895 1.00 34.22 H new ATOM 0 HB3 LEU A 34 -12.071 7.548 -12.107 1.00 34.22 H new ATOM 0 HG LEU A 34 -12.023 4.725 -13.248 1.00 53.00 H new ATOM 0 HD11 LEU A 34 -12.195 5.836 -15.458 1.00 53.13 H new ATOM 0 HD12 LEU A 34 -13.607 6.164 -14.425 1.00 53.13 H new ATOM 0 HD13 LEU A 34 -12.355 7.410 -14.642 1.00 53.13 H new ATOM 0 HD21 LEU A 34 -9.968 5.378 -14.454 1.00 23.02 H new ATOM 0 HD22 LEU A 34 -9.944 6.916 -13.560 1.00 23.02 H new ATOM 0 HD23 LEU A 34 -9.747 5.377 -12.688 1.00 23.02 H new ATOM 576 N GLN A 35 -13.179 6.296 -8.873 1.00 1.33 N ATOM 577 CA GLN A 35 -13.743 6.929 -7.656 1.00 12.42 C ATOM 578 C GLN A 35 -12.846 6.629 -6.437 1.00 2.20 C ATOM 579 O GLN A 35 -12.360 7.556 -5.778 1.00 55.31 O ATOM 580 CB GLN A 35 -15.218 6.491 -7.385 1.00 74.11 C ATOM 581 CG GLN A 35 -16.281 7.137 -8.310 1.00 55.53 C ATOM 582 CD GLN A 35 -16.383 6.514 -9.699 1.00 33.53 C ATOM 583 OE1 GLN A 35 -17.166 5.590 -9.925 1.00 62.23 O ATOM 584 NE2 GLN A 35 -15.573 6.979 -10.627 1.00 73.13 N ATOM 0 H GLN A 35 -13.691 5.475 -9.195 1.00 1.33 H new ATOM 0 HA GLN A 35 -13.764 8.005 -7.827 1.00 12.42 H new ATOM 0 HB2 GLN A 35 -15.282 5.408 -7.486 1.00 74.11 H new ATOM 0 HB3 GLN A 35 -15.467 6.730 -6.351 1.00 74.11 H new ATOM 0 HG2 GLN A 35 -17.254 7.069 -7.824 1.00 55.53 H new ATOM 0 HG3 GLN A 35 -16.052 8.197 -8.418 1.00 55.53 H new ATOM 0 HE21 GLN A 35 -14.936 7.745 -10.410 1.00 73.13 H new ATOM 0 HE22 GLN A 35 -15.583 6.573 -11.563 1.00 73.13 H new ATOM 593 N GLN A 36 -12.595 5.327 -6.176 1.00 14.51 N ATOM 594 CA GLN A 36 -11.748 4.865 -5.045 1.00 63.30 C ATOM 595 C GLN A 36 -10.274 5.288 -5.200 1.00 61.32 C ATOM 596 O GLN A 36 -9.501 5.169 -4.240 1.00 24.21 O ATOM 597 CB GLN A 36 -11.829 3.328 -4.897 1.00 0.13 C ATOM 598 CG GLN A 36 -13.189 2.788 -4.425 1.00 44.33 C ATOM 599 CD GLN A 36 -13.518 3.148 -2.973 1.00 74.45 C ATOM 600 OE1 GLN A 36 -12.629 3.299 -2.134 1.00 44.44 O ATOM 601 NE2 GLN A 36 -14.797 3.250 -2.655 1.00 1.03 N ATOM 0 H GLN A 36 -12.971 4.565 -6.740 1.00 14.51 H new ATOM 0 HA GLN A 36 -12.140 5.344 -4.148 1.00 63.30 H new ATOM 0 HB2 GLN A 36 -11.589 2.873 -5.858 1.00 0.13 H new ATOM 0 HB3 GLN A 36 -11.063 3.006 -4.191 1.00 0.13 H new ATOM 0 HG2 GLN A 36 -13.972 3.180 -5.075 1.00 44.33 H new ATOM 0 HG3 GLN A 36 -13.198 1.703 -4.533 1.00 44.33 H new ATOM 0 HE21 GLN A 36 -15.512 3.120 -3.370 1.00 1.03 H new ATOM 0 HE22 GLN A 36 -15.069 3.459 -1.694 1.00 1.03 H new ATOM 610 N GLU A 37 -9.903 5.714 -6.424 1.00 45.13 N ATOM 611 CA GLU A 37 -8.584 6.288 -6.732 1.00 33.33 C ATOM 612 C GLU A 37 -8.235 7.397 -5.739 1.00 34.55 C ATOM 613 O GLU A 37 -7.212 7.331 -5.084 1.00 12.41 O ATOM 614 CB GLU A 37 -8.578 6.877 -8.161 1.00 62.52 C ATOM 615 CG GLU A 37 -7.222 7.456 -8.610 1.00 23.21 C ATOM 616 CD GLU A 37 -7.339 8.322 -9.867 1.00 43.20 C ATOM 617 OE1 GLU A 37 -6.871 7.915 -10.952 1.00 74.35 O ATOM 618 OE2 GLU A 37 -7.928 9.418 -9.775 1.00 72.14 O ATOM 0 H GLU A 37 -10.521 5.667 -7.234 1.00 45.13 H new ATOM 0 HA GLU A 37 -7.844 5.491 -6.659 1.00 33.33 H new ATOM 0 HB2 GLU A 37 -8.876 6.098 -8.862 1.00 62.52 H new ATOM 0 HB3 GLU A 37 -9.331 7.663 -8.219 1.00 62.52 H new ATOM 0 HG2 GLU A 37 -6.800 8.052 -7.801 1.00 23.21 H new ATOM 0 HG3 GLU A 37 -6.527 6.638 -8.800 1.00 23.21 H new ATOM 625 N VAL A 38 -9.154 8.374 -5.610 1.00 50.45 N ATOM 626 CA VAL A 38 -8.967 9.578 -4.776 1.00 54.14 C ATOM 627 C VAL A 38 -8.631 9.203 -3.311 1.00 25.21 C ATOM 628 O VAL A 38 -7.697 9.769 -2.705 1.00 55.14 O ATOM 629 CB VAL A 38 -10.251 10.494 -4.834 1.00 31.10 C ATOM 630 CG1 VAL A 38 -10.073 11.780 -3.992 1.00 41.54 C ATOM 631 CG2 VAL A 38 -10.629 10.822 -6.305 1.00 3.15 C ATOM 0 H VAL A 38 -10.056 8.349 -6.086 1.00 50.45 H new ATOM 0 HA VAL A 38 -8.121 10.136 -5.178 1.00 54.14 H new ATOM 0 HB VAL A 38 -11.078 9.937 -4.393 1.00 31.10 H new ATOM 0 HG11 VAL A 38 -10.977 12.385 -4.056 1.00 41.54 H new ATOM 0 HG12 VAL A 38 -9.890 11.511 -2.952 1.00 41.54 H new ATOM 0 HG13 VAL A 38 -9.227 12.351 -4.374 1.00 41.54 H new ATOM 0 HG21 VAL A 38 -11.517 11.454 -6.320 1.00 3.15 H new ATOM 0 HG22 VAL A 38 -9.802 11.346 -6.785 1.00 3.15 H new ATOM 0 HG23 VAL A 38 -10.834 9.896 -6.843 1.00 3.15 H new ATOM 641 N SER A 39 -9.374 8.207 -2.780 1.00 5.43 N ATOM 642 CA SER A 39 -9.133 7.646 -1.436 1.00 20.43 C ATOM 643 C SER A 39 -7.723 7.023 -1.358 1.00 40.32 C ATOM 644 O SER A 39 -6.944 7.329 -0.452 1.00 14.34 O ATOM 645 CB SER A 39 -10.201 6.573 -1.117 1.00 53.03 C ATOM 646 OG SER A 39 -11.506 7.090 -1.283 1.00 43.22 O ATOM 0 H SER A 39 -10.155 7.772 -3.271 1.00 5.43 H new ATOM 0 HA SER A 39 -9.200 8.450 -0.703 1.00 20.43 H new ATOM 0 HB2 SER A 39 -10.062 5.711 -1.770 1.00 53.03 H new ATOM 0 HB3 SER A 39 -10.073 6.221 -0.093 1.00 53.03 H new ATOM 0 HG SER A 39 -12.163 6.392 -1.077 1.00 43.22 H new ATOM 652 N TYR A 40 -7.417 6.188 -2.366 1.00 54.42 N ATOM 653 CA TYR A 40 -6.157 5.430 -2.467 1.00 12.41 C ATOM 654 C TYR A 40 -4.939 6.368 -2.520 1.00 43.44 C ATOM 655 O TYR A 40 -3.928 6.108 -1.863 1.00 53.22 O ATOM 656 CB TYR A 40 -6.219 4.519 -3.725 1.00 43.25 C ATOM 657 CG TYR A 40 -4.983 3.643 -3.981 1.00 31.32 C ATOM 658 CD1 TYR A 40 -4.525 2.741 -3.017 1.00 52.44 C ATOM 659 CD2 TYR A 40 -4.296 3.694 -5.200 1.00 64.00 C ATOM 660 CE1 TYR A 40 -3.432 1.934 -3.259 1.00 25.32 C ATOM 661 CE2 TYR A 40 -3.198 2.888 -5.442 1.00 42.44 C ATOM 662 CZ TYR A 40 -2.771 2.008 -4.469 1.00 62.44 C ATOM 663 OH TYR A 40 -1.692 1.180 -4.712 1.00 74.20 O ATOM 0 H TYR A 40 -8.050 6.018 -3.148 1.00 54.42 H new ATOM 0 HA TYR A 40 -6.039 4.812 -1.577 1.00 12.41 H new ATOM 0 HB2 TYR A 40 -7.089 3.869 -3.636 1.00 43.25 H new ATOM 0 HB3 TYR A 40 -6.381 5.150 -4.599 1.00 43.25 H new ATOM 0 HD1 TYR A 40 -5.035 2.674 -2.067 1.00 52.44 H new ATOM 0 HD2 TYR A 40 -4.630 4.377 -5.967 1.00 64.00 H new ATOM 0 HE1 TYR A 40 -3.093 1.244 -2.501 1.00 25.32 H new ATOM 0 HE2 TYR A 40 -2.678 2.947 -6.387 1.00 42.44 H new ATOM 0 HH TYR A 40 -1.320 1.378 -5.597 1.00 74.20 H new ATOM 673 N LEU A 41 -5.084 7.480 -3.270 1.00 21.23 N ATOM 674 CA LEU A 41 -4.008 8.454 -3.497 1.00 30.53 C ATOM 675 C LEU A 41 -3.720 9.234 -2.213 1.00 0.20 C ATOM 676 O LEU A 41 -2.556 9.385 -1.823 1.00 71.42 O ATOM 677 CB LEU A 41 -4.366 9.431 -4.654 1.00 73.13 C ATOM 678 CG LEU A 41 -4.651 8.777 -6.042 1.00 51.43 C ATOM 679 CD1 LEU A 41 -4.908 9.849 -7.123 1.00 63.11 C ATOM 680 CD2 LEU A 41 -3.541 7.785 -6.455 1.00 40.51 C ATOM 0 H LEU A 41 -5.958 7.724 -3.736 1.00 21.23 H new ATOM 0 HA LEU A 41 -3.112 7.905 -3.787 1.00 30.53 H new ATOM 0 HB2 LEU A 41 -5.244 10.005 -4.359 1.00 73.13 H new ATOM 0 HB3 LEU A 41 -3.546 10.140 -4.771 1.00 73.13 H new ATOM 0 HG LEU A 41 -5.565 8.191 -5.945 1.00 51.43 H new ATOM 0 HD11 LEU A 41 -5.103 9.363 -8.079 1.00 63.11 H new ATOM 0 HD12 LEU A 41 -5.771 10.452 -6.840 1.00 63.11 H new ATOM 0 HD13 LEU A 41 -4.032 10.490 -7.215 1.00 63.11 H new ATOM 0 HD21 LEU A 41 -3.781 7.354 -7.427 1.00 40.51 H new ATOM 0 HD22 LEU A 41 -2.588 8.310 -6.517 1.00 40.51 H new ATOM 0 HD23 LEU A 41 -3.470 6.990 -5.713 1.00 40.51 H new ATOM 692 N GLN A 42 -4.796 9.710 -1.550 1.00 30.32 N ATOM 693 CA GLN A 42 -4.675 10.429 -0.269 1.00 43.30 C ATOM 694 C GLN A 42 -3.971 9.548 0.785 1.00 0.23 C ATOM 695 O GLN A 42 -3.081 10.013 1.500 1.00 41.24 O ATOM 696 CB GLN A 42 -6.068 10.882 0.249 1.00 22.23 C ATOM 697 CG GLN A 42 -6.019 11.627 1.602 1.00 75.21 C ATOM 698 CD GLN A 42 -7.383 12.108 2.097 1.00 40.43 C ATOM 699 OE1 GLN A 42 -8.277 12.425 1.311 1.00 55.12 O ATOM 700 NE2 GLN A 42 -7.560 12.160 3.403 1.00 23.42 N ATOM 0 H GLN A 42 -5.755 9.608 -1.882 1.00 30.32 H new ATOM 0 HA GLN A 42 -4.069 11.319 -0.440 1.00 43.30 H new ATOM 0 HB2 GLN A 42 -6.529 11.531 -0.496 1.00 22.23 H new ATOM 0 HB3 GLN A 42 -6.710 10.007 0.350 1.00 22.23 H new ATOM 0 HG2 GLN A 42 -5.584 10.967 2.353 1.00 75.21 H new ATOM 0 HG3 GLN A 42 -5.354 12.486 1.508 1.00 75.21 H new ATOM 0 HE21 GLN A 42 -6.803 11.892 4.031 1.00 23.42 H new ATOM 0 HE22 GLN A 42 -8.454 12.468 3.785 1.00 23.42 H new ATOM 709 N SER A 43 -4.356 8.261 0.814 1.00 71.25 N ATOM 710 CA SER A 43 -3.833 7.277 1.775 1.00 65.42 C ATOM 711 C SER A 43 -2.321 7.038 1.592 1.00 74.22 C ATOM 712 O SER A 43 -1.532 7.244 2.525 1.00 24.24 O ATOM 713 CB SER A 43 -4.601 5.954 1.614 1.00 73.40 C ATOM 714 OG SER A 43 -5.989 6.146 1.837 1.00 64.24 O ATOM 0 H SER A 43 -5.043 7.873 0.167 1.00 71.25 H new ATOM 0 HA SER A 43 -3.978 7.674 2.780 1.00 65.42 H new ATOM 0 HB2 SER A 43 -4.441 5.555 0.612 1.00 73.40 H new ATOM 0 HB3 SER A 43 -4.214 5.216 2.317 1.00 73.40 H new ATOM 0 HG SER A 43 -6.366 6.682 1.109 1.00 64.24 H new ATOM 720 N ILE A 44 -1.937 6.634 0.369 1.00 72.20 N ATOM 721 CA ILE A 44 -0.552 6.254 0.038 1.00 50.31 C ATOM 722 C ILE A 44 0.411 7.454 0.207 1.00 53.50 C ATOM 723 O ILE A 44 1.558 7.274 0.651 1.00 34.24 O ATOM 724 CB ILE A 44 -0.485 5.626 -1.407 1.00 4.34 C ATOM 725 CG1 ILE A 44 0.922 5.047 -1.746 1.00 3.42 C ATOM 726 CG2 ILE A 44 -0.926 6.637 -2.472 1.00 44.31 C ATOM 727 CD1 ILE A 44 0.995 4.348 -3.104 1.00 21.10 C ATOM 0 H ILE A 44 -2.579 6.561 -0.420 1.00 72.20 H new ATOM 0 HA ILE A 44 -0.220 5.489 0.740 1.00 50.31 H new ATOM 0 HB ILE A 44 -1.183 4.789 -1.412 1.00 4.34 H new ATOM 0 HG12 ILE A 44 1.651 5.857 -1.726 1.00 3.42 H new ATOM 0 HG13 ILE A 44 1.210 4.339 -0.968 1.00 3.42 H new ATOM 0 HG21 ILE A 44 -0.869 6.175 -3.458 1.00 44.31 H new ATOM 0 HG22 ILE A 44 -1.952 6.948 -2.276 1.00 44.31 H new ATOM 0 HG23 ILE A 44 -0.271 7.507 -2.441 1.00 44.31 H new ATOM 0 HD11 ILE A 44 2.005 3.973 -3.266 1.00 21.10 H new ATOM 0 HD12 ILE A 44 0.291 3.516 -3.123 1.00 21.10 H new ATOM 0 HD13 ILE A 44 0.740 5.057 -3.892 1.00 21.10 H new ATOM 739 N GLU A 45 -0.088 8.682 -0.092 1.00 45.43 N ATOM 740 CA GLU A 45 0.635 9.927 0.228 1.00 70.21 C ATOM 741 C GLU A 45 0.850 10.052 1.740 1.00 15.51 C ATOM 742 O GLU A 45 1.979 10.185 2.179 1.00 21.43 O ATOM 743 CB GLU A 45 -0.111 11.183 -0.304 1.00 43.33 C ATOM 744 CG GLU A 45 -0.016 11.387 -1.821 1.00 25.10 C ATOM 745 CD GLU A 45 1.414 11.688 -2.316 1.00 61.42 C ATOM 746 OE1 GLU A 45 1.838 12.858 -2.232 1.00 53.14 O ATOM 747 OE2 GLU A 45 2.117 10.764 -2.780 1.00 44.43 O ATOM 0 H GLU A 45 -0.986 8.829 -0.553 1.00 45.43 H new ATOM 0 HA GLU A 45 1.603 9.874 -0.271 1.00 70.21 H new ATOM 0 HB2 GLU A 45 -1.162 11.110 -0.026 1.00 43.33 H new ATOM 0 HB3 GLU A 45 0.290 12.066 0.194 1.00 43.33 H new ATOM 0 HG2 GLU A 45 -0.384 10.492 -2.323 1.00 25.10 H new ATOM 0 HG3 GLU A 45 -0.672 12.208 -2.110 1.00 25.10 H new ATOM 754 N THR A 46 -0.249 9.948 2.522 1.00 14.51 N ATOM 755 CA THR A 46 -0.224 10.110 3.995 1.00 2.30 C ATOM 756 C THR A 46 0.827 9.184 4.654 1.00 41.33 C ATOM 757 O THR A 46 1.474 9.565 5.637 1.00 30.20 O ATOM 758 CB THR A 46 -1.650 9.855 4.619 1.00 73.34 C ATOM 759 OG1 THR A 46 -2.594 10.795 4.082 1.00 4.34 O ATOM 760 CG2 THR A 46 -1.666 9.965 6.160 1.00 22.41 C ATOM 0 H THR A 46 -1.178 9.750 2.150 1.00 14.51 H new ATOM 0 HA THR A 46 0.063 11.141 4.200 1.00 2.30 H new ATOM 0 HB THR A 46 -1.922 8.833 4.356 1.00 73.34 H new ATOM 0 HG1 THR A 46 -2.861 10.513 3.182 1.00 4.34 H new ATOM 0 HG21 THR A 46 -2.675 9.779 6.528 1.00 22.41 H new ATOM 0 HG22 THR A 46 -0.984 9.228 6.584 1.00 22.41 H new ATOM 0 HG23 THR A 46 -1.350 10.965 6.457 1.00 22.41 H new ATOM 768 N VAL A 47 1.008 7.983 4.069 1.00 63.32 N ATOM 769 CA VAL A 47 1.985 6.986 4.554 1.00 35.53 C ATOM 770 C VAL A 47 3.434 7.371 4.175 1.00 24.33 C ATOM 771 O VAL A 47 4.322 7.356 5.034 1.00 73.25 O ATOM 772 CB VAL A 47 1.661 5.553 4.000 1.00 52.45 C ATOM 773 CG1 VAL A 47 2.609 4.482 4.591 1.00 61.34 C ATOM 774 CG2 VAL A 47 0.185 5.201 4.259 1.00 34.02 C ATOM 0 H VAL A 47 0.483 7.677 3.250 1.00 63.32 H new ATOM 0 HA VAL A 47 1.903 6.973 5.641 1.00 35.53 H new ATOM 0 HB VAL A 47 1.828 5.563 2.923 1.00 52.45 H new ATOM 0 HG11 VAL A 47 2.353 3.504 4.183 1.00 61.34 H new ATOM 0 HG12 VAL A 47 3.639 4.725 4.331 1.00 61.34 H new ATOM 0 HG13 VAL A 47 2.504 4.462 5.676 1.00 61.34 H new ATOM 0 HG21 VAL A 47 -0.025 4.205 3.870 1.00 34.02 H new ATOM 0 HG22 VAL A 47 -0.011 5.220 5.331 1.00 34.02 H new ATOM 0 HG23 VAL A 47 -0.455 5.928 3.760 1.00 34.02 H new ATOM 784 N MET A 48 3.658 7.726 2.887 1.00 64.33 N ATOM 785 CA MET A 48 5.012 8.072 2.374 1.00 74.34 C ATOM 786 C MET A 48 5.525 9.403 2.966 1.00 24.50 C ATOM 787 O MET A 48 6.737 9.582 3.153 1.00 5.31 O ATOM 788 CB MET A 48 5.039 8.118 0.816 1.00 34.12 C ATOM 789 CG MET A 48 4.800 6.764 0.129 1.00 50.21 C ATOM 790 SD MET A 48 5.131 6.804 -1.654 1.00 14.34 S ATOM 791 CE MET A 48 3.852 7.895 -2.284 1.00 3.35 C ATOM 0 H MET A 48 2.922 7.781 2.183 1.00 64.33 H new ATOM 0 HA MET A 48 5.685 7.280 2.701 1.00 74.34 H new ATOM 0 HB2 MET A 48 4.281 8.822 0.474 1.00 34.12 H new ATOM 0 HB3 MET A 48 6.005 8.508 0.494 1.00 34.12 H new ATOM 0 HG2 MET A 48 5.435 6.010 0.594 1.00 50.21 H new ATOM 0 HG3 MET A 48 3.767 6.457 0.294 1.00 50.21 H new ATOM 0 HE1 MET A 48 3.660 7.664 -3.332 1.00 3.35 H new ATOM 0 HE2 MET A 48 2.938 7.754 -1.708 1.00 3.35 H new ATOM 0 HE3 MET A 48 4.181 8.930 -2.196 1.00 3.35 H new ATOM 801 N GLU A 49 4.587 10.316 3.271 1.00 55.23 N ATOM 802 CA GLU A 49 4.872 11.612 3.927 1.00 70.43 C ATOM 803 C GLU A 49 5.151 11.418 5.419 1.00 71.43 C ATOM 804 O GLU A 49 5.706 12.306 6.066 1.00 50.43 O ATOM 805 CB GLU A 49 3.672 12.580 3.771 1.00 54.12 C ATOM 806 CG GLU A 49 3.319 12.955 2.319 1.00 12.24 C ATOM 807 CD GLU A 49 2.072 13.848 2.233 1.00 23.23 C ATOM 808 OE1 GLU A 49 2.186 15.026 1.828 1.00 34.03 O ATOM 809 OE2 GLU A 49 0.971 13.376 2.599 1.00 34.44 O ATOM 0 H GLU A 49 3.597 10.177 3.068 1.00 55.23 H new ATOM 0 HA GLU A 49 5.752 12.036 3.443 1.00 70.43 H new ATOM 0 HB2 GLU A 49 2.797 12.126 4.236 1.00 54.12 H new ATOM 0 HB3 GLU A 49 3.889 13.494 4.324 1.00 54.12 H new ATOM 0 HG2 GLU A 49 4.164 13.471 1.864 1.00 12.24 H new ATOM 0 HG3 GLU A 49 3.152 12.046 1.742 1.00 12.24 H new ATOM 816 N LYS A 50 4.733 10.262 5.960 1.00 21.15 N ATOM 817 CA LYS A 50 4.844 9.966 7.390 1.00 23.14 C ATOM 818 C LYS A 50 6.144 9.214 7.670 1.00 54.43 C ATOM 819 O LYS A 50 6.577 8.378 6.868 1.00 53.54 O ATOM 820 CB LYS A 50 3.616 9.133 7.874 1.00 13.24 C ATOM 821 CG LYS A 50 3.376 9.169 9.400 1.00 71.40 C ATOM 822 CD LYS A 50 3.138 10.602 9.958 1.00 1.04 C ATOM 823 CE LYS A 50 1.839 11.281 9.441 1.00 0.24 C ATOM 824 NZ LYS A 50 1.889 11.696 8.006 1.00 33.10 N ATOM 0 H LYS A 50 4.310 9.510 5.416 1.00 21.15 H new ATOM 0 HA LYS A 50 4.857 10.906 7.941 1.00 23.14 H new ATOM 0 HB2 LYS A 50 2.722 9.501 7.370 1.00 13.24 H new ATOM 0 HB3 LYS A 50 3.752 8.097 7.565 1.00 13.24 H new ATOM 0 HG2 LYS A 50 2.513 8.547 9.639 1.00 71.40 H new ATOM 0 HG3 LYS A 50 4.236 8.729 9.905 1.00 71.40 H new ATOM 0 HD2 LYS A 50 3.101 10.554 11.046 1.00 1.04 H new ATOM 0 HD3 LYS A 50 3.991 11.228 9.695 1.00 1.04 H new ATOM 0 HE2 LYS A 50 1.004 10.594 9.579 1.00 0.24 H new ATOM 0 HE3 LYS A 50 1.634 12.159 10.054 1.00 0.24 H new ATOM 0 HZ1 LYS A 50 1.487 12.650 7.906 1.00 33.10 H new ATOM 0 HZ2 LYS A 50 2.877 11.700 7.680 1.00 33.10 H new ATOM 0 HZ3 LYS A 50 1.338 11.027 7.432 1.00 33.10 H new ATOM 838 N GLN A 51 6.761 9.532 8.808 1.00 13.25 N ATOM 839 CA GLN A 51 7.936 8.826 9.305 1.00 53.22 C ATOM 840 C GLN A 51 7.488 7.523 9.972 1.00 61.32 C ATOM 841 O GLN A 51 6.445 7.489 10.650 1.00 61.32 O ATOM 842 CB GLN A 51 8.700 9.715 10.311 1.00 71.54 C ATOM 843 CG GLN A 51 9.977 9.080 10.894 1.00 24.51 C ATOM 844 CD GLN A 51 10.703 10.005 11.868 1.00 32.15 C ATOM 845 OE1 GLN A 51 10.422 10.004 13.064 1.00 15.41 O ATOM 846 NE2 GLN A 51 11.625 10.808 11.359 1.00 31.11 N ATOM 0 H GLN A 51 6.455 10.293 9.414 1.00 13.25 H new ATOM 0 HA GLN A 51 8.606 8.595 8.477 1.00 53.22 H new ATOM 0 HB2 GLN A 51 8.968 10.649 9.818 1.00 71.54 H new ATOM 0 HB3 GLN A 51 8.030 9.969 11.132 1.00 71.54 H new ATOM 0 HG2 GLN A 51 9.716 8.153 11.405 1.00 24.51 H new ATOM 0 HG3 GLN A 51 10.651 8.816 10.079 1.00 24.51 H new ATOM 0 HE21 GLN A 51 11.831 10.780 10.360 1.00 31.11 H new ATOM 0 HE22 GLN A 51 12.129 11.455 11.966 1.00 31.11 H new ATOM 855 N THR A 52 8.271 6.465 9.770 1.00 24.24 N ATOM 856 CA THR A 52 8.018 5.164 10.382 1.00 64.25 C ATOM 857 C THR A 52 8.374 5.202 11.892 1.00 43.31 C ATOM 858 O THR A 52 9.444 5.711 12.248 1.00 22.10 O ATOM 859 CB THR A 52 8.846 4.063 9.664 1.00 23.22 C ATOM 860 OG1 THR A 52 8.587 4.121 8.249 1.00 73.05 O ATOM 861 CG2 THR A 52 8.516 2.658 10.199 1.00 50.54 C ATOM 0 H THR A 52 9.100 6.487 9.176 1.00 24.24 H new ATOM 0 HA THR A 52 6.959 4.930 10.278 1.00 64.25 H new ATOM 0 HB THR A 52 9.902 4.249 9.861 1.00 23.22 H new ATOM 0 HG1 THR A 52 7.620 4.106 8.093 1.00 73.05 H new ATOM 0 HG21 THR A 52 9.116 1.917 9.671 1.00 50.54 H new ATOM 0 HG22 THR A 52 8.739 2.613 11.265 1.00 50.54 H new ATOM 0 HG23 THR A 52 7.458 2.448 10.041 1.00 50.54 H new ATOM 869 N PRO A 53 7.466 4.712 12.795 1.00 74.53 N ATOM 870 CA PRO A 53 7.753 4.598 14.249 1.00 31.22 C ATOM 871 C PRO A 53 8.883 3.573 14.563 1.00 74.43 C ATOM 872 O PRO A 53 9.113 2.646 13.774 1.00 4.34 O ATOM 873 CB PRO A 53 6.381 4.152 14.852 1.00 4.54 C ATOM 874 CG PRO A 53 5.371 4.482 13.793 1.00 5.12 C ATOM 875 CD PRO A 53 6.086 4.263 12.489 1.00 5.20 C ATOM 0 HA PRO A 53 8.125 5.532 14.670 1.00 31.22 H new ATOM 0 HB2 PRO A 53 6.378 3.087 15.083 1.00 4.54 H new ATOM 0 HB3 PRO A 53 6.167 4.680 15.781 1.00 4.54 H new ATOM 0 HG2 PRO A 53 4.492 3.842 13.873 1.00 5.12 H new ATOM 0 HG3 PRO A 53 5.025 5.512 13.885 1.00 5.12 H new ATOM 0 HD2 PRO A 53 6.059 3.217 12.183 1.00 5.20 H new ATOM 0 HD3 PRO A 53 5.641 4.843 11.681 1.00 5.20 H new ATOM 883 N PRO A 54 9.594 3.734 15.730 1.00 32.03 N ATOM 884 CA PRO A 54 10.687 2.821 16.161 1.00 33.43 C ATOM 885 C PRO A 54 10.206 1.375 16.378 1.00 44.22 C ATOM 886 O PRO A 54 10.841 0.423 15.918 1.00 21.43 O ATOM 887 CB PRO A 54 11.186 3.443 17.499 1.00 53.34 C ATOM 888 CG PRO A 54 10.722 4.867 17.459 1.00 44.13 C ATOM 889 CD PRO A 54 9.416 4.843 16.707 1.00 31.13 C ATOM 0 HA PRO A 54 11.464 2.742 15.401 1.00 33.43 H new ATOM 0 HB2 PRO A 54 10.771 2.916 18.358 1.00 53.34 H new ATOM 0 HB3 PRO A 54 12.271 3.383 17.582 1.00 53.34 H new ATOM 0 HG2 PRO A 54 10.589 5.265 18.465 1.00 44.13 H new ATOM 0 HG3 PRO A 54 11.452 5.504 16.959 1.00 44.13 H new ATOM 0 HD2 PRO A 54 8.573 4.659 17.373 1.00 31.13 H new ATOM 0 HD3 PRO A 54 9.225 5.792 16.206 1.00 31.13 H new ATOM 897 N GLY A 55 9.084 1.249 17.112 1.00 4.22 N ATOM 898 CA GLY A 55 8.540 -0.035 17.546 1.00 41.11 C ATOM 899 C GLY A 55 8.057 -0.919 16.404 1.00 72.13 C ATOM 900 O GLY A 55 6.879 -0.888 16.040 1.00 61.22 O ATOM 0 H GLY A 55 8.530 2.049 17.419 1.00 4.22 H new ATOM 0 HA2 GLY A 55 9.305 -0.571 18.109 1.00 41.11 H new ATOM 0 HA3 GLY A 55 7.710 0.146 18.229 1.00 41.11 H new ATOM 904 N ILE A 56 8.996 -1.672 15.814 1.00 55.25 N ATOM 905 CA ILE A 56 8.711 -2.683 14.788 1.00 12.55 C ATOM 906 C ILE A 56 9.220 -4.033 15.302 1.00 54.42 C ATOM 907 O ILE A 56 10.431 -4.265 15.352 1.00 55.43 O ATOM 908 CB ILE A 56 9.389 -2.338 13.404 1.00 73.21 C ATOM 909 CG1 ILE A 56 8.946 -0.930 12.899 1.00 71.51 C ATOM 910 CG2 ILE A 56 9.075 -3.424 12.339 1.00 23.24 C ATOM 911 CD1 ILE A 56 9.597 -0.502 11.600 1.00 12.34 C ATOM 0 H ILE A 56 9.988 -1.594 16.040 1.00 55.25 H new ATOM 0 HA ILE A 56 7.636 -2.712 14.610 1.00 12.55 H new ATOM 0 HB ILE A 56 10.468 -2.320 13.561 1.00 73.21 H new ATOM 0 HG12 ILE A 56 7.864 -0.928 12.768 1.00 71.51 H new ATOM 0 HG13 ILE A 56 9.176 -0.192 13.668 1.00 71.51 H new ATOM 0 HG21 ILE A 56 9.555 -3.159 11.397 1.00 23.24 H new ATOM 0 HG22 ILE A 56 9.452 -4.388 12.680 1.00 23.24 H new ATOM 0 HG23 ILE A 56 7.997 -3.488 12.191 1.00 23.24 H new ATOM 0 HD11 ILE A 56 9.235 0.487 11.320 1.00 12.34 H new ATOM 0 HD12 ILE A 56 10.679 -0.469 11.729 1.00 12.34 H new ATOM 0 HD13 ILE A 56 9.347 -1.216 10.815 1.00 12.34 H new ATOM 923 N THR A 57 8.294 -4.891 15.747 1.00 52.33 N ATOM 924 CA THR A 57 8.599 -6.259 16.176 1.00 55.32 C ATOM 925 C THR A 57 8.445 -7.225 14.981 1.00 52.43 C ATOM 926 O THR A 57 8.213 -6.782 13.845 1.00 11.23 O ATOM 927 CB THR A 57 7.660 -6.681 17.355 1.00 75.01 C ATOM 928 OG1 THR A 57 6.291 -6.679 16.914 1.00 34.25 O ATOM 929 CG2 THR A 57 7.806 -5.748 18.573 1.00 31.45 C ATOM 0 H THR A 57 7.305 -4.652 15.820 1.00 52.33 H new ATOM 0 HA THR A 57 9.629 -6.302 16.531 1.00 55.32 H new ATOM 0 HB THR A 57 7.954 -7.684 17.664 1.00 75.01 H new ATOM 0 HG1 THR A 57 5.959 -7.600 16.873 1.00 34.25 H new ATOM 0 HG21 THR A 57 7.136 -6.078 19.367 1.00 31.45 H new ATOM 0 HG22 THR A 57 8.835 -5.776 18.932 1.00 31.45 H new ATOM 0 HG23 THR A 57 7.550 -4.729 18.283 1.00 31.45 H new ATOM 937 N ARG A 58 8.579 -8.533 15.251 1.00 23.35 N ATOM 938 CA ARG A 58 8.438 -9.600 14.244 1.00 30.35 C ATOM 939 C ARG A 58 7.025 -9.585 13.619 1.00 32.41 C ATOM 940 O ARG A 58 6.881 -9.512 12.397 1.00 11.13 O ATOM 941 CB ARG A 58 8.782 -10.968 14.919 1.00 73.42 C ATOM 942 CG ARG A 58 8.711 -12.238 14.011 1.00 41.31 C ATOM 943 CD ARG A 58 7.341 -12.946 14.045 1.00 3.40 C ATOM 944 NE ARG A 58 7.327 -14.179 13.241 1.00 60.23 N ATOM 945 CZ ARG A 58 6.223 -14.887 12.932 1.00 22.11 C ATOM 946 NH1 ARG A 58 5.022 -14.492 13.339 1.00 73.41 N ATOM 947 NH2 ARG A 58 6.329 -15.995 12.214 1.00 25.41 N ATOM 0 H ARG A 58 8.791 -8.885 16.185 1.00 23.35 H new ATOM 0 HA ARG A 58 9.133 -9.436 13.420 1.00 30.35 H new ATOM 0 HB2 ARG A 58 9.789 -10.900 15.331 1.00 73.42 H new ATOM 0 HB3 ARG A 58 8.103 -11.113 15.759 1.00 73.42 H new ATOM 0 HG2 ARG A 58 8.938 -11.953 12.984 1.00 41.31 H new ATOM 0 HG3 ARG A 58 9.482 -12.942 14.324 1.00 41.31 H new ATOM 0 HD2 ARG A 58 7.084 -13.185 15.077 1.00 3.40 H new ATOM 0 HD3 ARG A 58 6.574 -12.266 13.675 1.00 3.40 H new ATOM 0 HE ARG A 58 8.221 -14.524 12.891 1.00 60.23 H new ATOM 0 HH11 ARG A 58 4.926 -13.642 13.894 1.00 73.41 H new ATOM 0 HH12 ARG A 58 4.196 -15.039 13.097 1.00 73.41 H new ATOM 0 HH21 ARG A 58 7.245 -16.311 11.896 1.00 25.41 H new ATOM 0 HH22 ARG A 58 5.494 -16.532 11.979 1.00 25.41 H new ATOM 961 N SER A 59 5.995 -9.604 14.484 1.00 61.14 N ATOM 962 CA SER A 59 4.576 -9.603 14.061 1.00 71.44 C ATOM 963 C SER A 59 4.213 -8.316 13.289 1.00 53.51 C ATOM 964 O SER A 59 3.461 -8.352 12.296 1.00 22.24 O ATOM 965 CB SER A 59 3.674 -9.757 15.304 1.00 3.32 C ATOM 966 OG SER A 59 3.944 -8.749 16.272 1.00 21.10 O ATOM 0 H SER A 59 6.119 -9.621 15.496 1.00 61.14 H new ATOM 0 HA SER A 59 4.417 -10.442 13.384 1.00 71.44 H new ATOM 0 HB2 SER A 59 2.627 -9.704 15.004 1.00 3.32 H new ATOM 0 HB3 SER A 59 3.829 -10.740 15.748 1.00 3.32 H new ATOM 0 HG SER A 59 3.356 -8.873 17.046 1.00 21.10 H new ATOM 972 N ILE A 60 4.770 -7.185 13.768 1.00 53.22 N ATOM 973 CA ILE A 60 4.564 -5.863 13.162 1.00 21.00 C ATOM 974 C ILE A 60 5.128 -5.824 11.733 1.00 23.43 C ATOM 975 O ILE A 60 4.424 -5.411 10.814 1.00 22.35 O ATOM 976 CB ILE A 60 5.189 -4.724 14.061 1.00 53.30 C ATOM 977 CG1 ILE A 60 4.378 -4.591 15.395 1.00 71.21 C ATOM 978 CG2 ILE A 60 5.271 -3.363 13.317 1.00 34.24 C ATOM 979 CD1 ILE A 60 4.980 -3.637 16.417 1.00 31.51 C ATOM 0 H ILE A 60 5.376 -7.168 14.588 1.00 53.22 H new ATOM 0 HA ILE A 60 3.491 -5.680 13.101 1.00 21.00 H new ATOM 0 HB ILE A 60 6.214 -5.010 14.295 1.00 53.30 H new ATOM 0 HG12 ILE A 60 3.368 -4.256 15.158 1.00 71.21 H new ATOM 0 HG13 ILE A 60 4.288 -5.578 15.849 1.00 71.21 H new ATOM 0 HG21 ILE A 60 5.707 -2.613 13.977 1.00 34.24 H new ATOM 0 HG22 ILE A 60 5.893 -3.471 12.429 1.00 34.24 H new ATOM 0 HG23 ILE A 60 4.270 -3.048 13.022 1.00 34.24 H new ATOM 0 HD11 ILE A 60 4.350 -3.611 17.306 1.00 31.51 H new ATOM 0 HD12 ILE A 60 5.978 -3.979 16.690 1.00 31.51 H new ATOM 0 HD13 ILE A 60 5.044 -2.637 15.988 1.00 31.51 H new ATOM 991 N GLN A 61 6.375 -6.304 11.542 1.00 74.34 N ATOM 992 CA GLN A 61 7.032 -6.272 10.215 1.00 63.44 C ATOM 993 C GLN A 61 6.380 -7.284 9.251 1.00 13.53 C ATOM 994 O GLN A 61 6.450 -7.108 8.039 1.00 41.21 O ATOM 995 CB GLN A 61 8.567 -6.514 10.322 1.00 52.25 C ATOM 996 CG GLN A 61 8.985 -7.961 10.644 1.00 14.53 C ATOM 997 CD GLN A 61 10.497 -8.158 10.779 1.00 1.13 C ATOM 998 OE1 GLN A 61 11.295 -7.443 10.171 1.00 64.45 O ATOM 999 NE2 GLN A 61 10.904 -9.152 11.550 1.00 31.13 N ATOM 0 H GLN A 61 6.944 -6.715 12.282 1.00 74.34 H new ATOM 0 HA GLN A 61 6.889 -5.271 9.807 1.00 63.44 H new ATOM 0 HB2 GLN A 61 9.031 -6.220 9.380 1.00 52.25 H new ATOM 0 HB3 GLN A 61 8.969 -5.857 11.094 1.00 52.25 H new ATOM 0 HG2 GLN A 61 8.505 -8.269 11.573 1.00 14.53 H new ATOM 0 HG3 GLN A 61 8.612 -8.619 9.859 1.00 14.53 H new ATOM 0 HE21 GLN A 61 10.221 -9.728 12.042 1.00 31.13 H new ATOM 0 HE22 GLN A 61 11.901 -9.342 11.653 1.00 31.13 H new ATOM 1008 N ASP A 62 5.755 -8.346 9.805 1.00 54.52 N ATOM 1009 CA ASP A 62 4.956 -9.301 9.002 1.00 13.00 C ATOM 1010 C ASP A 62 3.717 -8.625 8.406 1.00 43.22 C ATOM 1011 O ASP A 62 3.445 -8.767 7.208 1.00 60.34 O ATOM 1012 CB ASP A 62 4.530 -10.541 9.839 1.00 30.02 C ATOM 1013 CG ASP A 62 5.678 -11.523 10.103 1.00 23.32 C ATOM 1014 OD1 ASP A 62 5.830 -11.997 11.248 1.00 12.23 O ATOM 1015 OD2 ASP A 62 6.417 -11.852 9.148 1.00 71.53 O ATOM 0 H ASP A 62 5.787 -8.564 10.801 1.00 54.52 H new ATOM 0 HA ASP A 62 5.596 -9.641 8.188 1.00 13.00 H new ATOM 0 HB2 ASP A 62 4.124 -10.204 10.793 1.00 30.02 H new ATOM 0 HB3 ASP A 62 3.728 -11.063 9.318 1.00 30.02 H new ATOM 1020 N MET A 63 2.971 -7.895 9.254 1.00 43.21 N ATOM 1021 CA MET A 63 1.768 -7.154 8.820 1.00 64.54 C ATOM 1022 C MET A 63 2.140 -6.011 7.850 1.00 21.20 C ATOM 1023 O MET A 63 1.507 -5.861 6.802 1.00 3.21 O ATOM 1024 CB MET A 63 0.980 -6.607 10.042 1.00 2.11 C ATOM 1025 CG MET A 63 0.377 -7.695 10.946 1.00 23.02 C ATOM 1026 SD MET A 63 -0.556 -7.013 12.340 1.00 23.14 S ATOM 1027 CE MET A 63 0.726 -6.163 13.264 1.00 31.33 C ATOM 0 H MET A 63 3.179 -7.801 10.248 1.00 43.21 H new ATOM 0 HA MET A 63 1.122 -7.851 8.286 1.00 64.54 H new ATOM 0 HB2 MET A 63 1.646 -5.983 10.639 1.00 2.11 H new ATOM 0 HB3 MET A 63 0.177 -5.963 9.683 1.00 2.11 H new ATOM 0 HG2 MET A 63 -0.279 -8.331 10.352 1.00 23.02 H new ATOM 0 HG3 MET A 63 1.178 -8.329 11.326 1.00 23.02 H new ATOM 0 HE1 MET A 63 0.267 -5.486 13.985 1.00 31.33 H new ATOM 0 HE2 MET A 63 1.339 -6.893 13.792 1.00 31.33 H new ATOM 0 HE3 MET A 63 1.351 -5.592 12.578 1.00 31.33 H new ATOM 1037 N VAL A 64 3.199 -5.247 8.196 1.00 40.40 N ATOM 1038 CA VAL A 64 3.670 -4.103 7.393 1.00 40.32 C ATOM 1039 C VAL A 64 4.179 -4.584 6.020 1.00 32.32 C ATOM 1040 O VAL A 64 3.556 -4.286 5.000 1.00 62.34 O ATOM 1041 CB VAL A 64 4.799 -3.288 8.149 1.00 42.31 C ATOM 1042 CG1 VAL A 64 5.473 -2.254 7.222 1.00 21.42 C ATOM 1043 CG2 VAL A 64 4.235 -2.599 9.417 1.00 11.33 C ATOM 0 H VAL A 64 3.749 -5.408 9.040 1.00 40.40 H new ATOM 0 HA VAL A 64 2.824 -3.433 7.240 1.00 40.32 H new ATOM 0 HB VAL A 64 5.561 -4.003 8.458 1.00 42.31 H new ATOM 0 HG11 VAL A 64 6.241 -1.715 7.776 1.00 21.42 H new ATOM 0 HG12 VAL A 64 5.929 -2.767 6.375 1.00 21.42 H new ATOM 0 HG13 VAL A 64 4.725 -1.549 6.859 1.00 21.42 H new ATOM 0 HG21 VAL A 64 5.032 -2.047 9.916 1.00 11.33 H new ATOM 0 HG22 VAL A 64 3.439 -1.911 9.133 1.00 11.33 H new ATOM 0 HG23 VAL A 64 3.837 -3.354 10.095 1.00 11.33 H new ATOM 1053 N ALA A 65 5.271 -5.386 6.023 1.00 44.03 N ATOM 1054 CA ALA A 65 5.915 -5.879 4.783 1.00 23.14 C ATOM 1055 C ALA A 65 4.973 -6.782 3.981 1.00 51.32 C ATOM 1056 O ALA A 65 5.070 -6.848 2.751 1.00 54.11 O ATOM 1057 CB ALA A 65 7.217 -6.630 5.100 1.00 23.02 C ATOM 0 H ALA A 65 5.726 -5.707 6.878 1.00 44.03 H new ATOM 0 HA ALA A 65 6.152 -5.006 4.175 1.00 23.14 H new ATOM 0 HB1 ALA A 65 7.669 -6.981 4.173 1.00 23.02 H new ATOM 0 HB2 ALA A 65 7.909 -5.960 5.610 1.00 23.02 H new ATOM 0 HB3 ALA A 65 6.998 -7.483 5.743 1.00 23.02 H new ATOM 1063 N GLY A 66 4.070 -7.479 4.703 1.00 53.14 N ATOM 1064 CA GLY A 66 3.032 -8.294 4.077 1.00 74.21 C ATOM 1065 C GLY A 66 2.128 -7.457 3.200 1.00 5.05 C ATOM 1066 O GLY A 66 2.000 -7.725 2.004 1.00 22.23 O ATOM 0 H GLY A 66 4.047 -7.487 5.723 1.00 53.14 H new ATOM 0 HA2 GLY A 66 3.495 -9.080 3.480 1.00 74.21 H new ATOM 0 HA3 GLY A 66 2.439 -8.786 4.848 1.00 74.21 H new ATOM 1070 N TYR A 67 1.566 -6.389 3.794 1.00 13.11 N ATOM 1071 CA TYR A 67 0.662 -5.467 3.093 1.00 30.30 C ATOM 1072 C TYR A 67 1.381 -4.680 1.992 1.00 70.00 C ATOM 1073 O TYR A 67 0.766 -4.383 0.963 1.00 20.25 O ATOM 1074 CB TYR A 67 -0.029 -4.497 4.083 1.00 4.54 C ATOM 1075 CG TYR A 67 -1.112 -5.151 4.953 1.00 31.33 C ATOM 1076 CD1 TYR A 67 -1.910 -6.198 4.469 1.00 73.01 C ATOM 1077 CD2 TYR A 67 -1.358 -4.701 6.241 1.00 54.23 C ATOM 1078 CE1 TYR A 67 -2.899 -6.763 5.246 1.00 62.41 C ATOM 1079 CE2 TYR A 67 -2.342 -5.267 7.014 1.00 41.03 C ATOM 1080 CZ TYR A 67 -3.109 -6.293 6.515 1.00 4.12 C ATOM 1081 OH TYR A 67 -4.093 -6.856 7.297 1.00 42.44 O ATOM 0 H TYR A 67 1.727 -6.143 4.771 1.00 13.11 H new ATOM 0 HA TYR A 67 -0.102 -6.081 2.616 1.00 30.30 H new ATOM 0 HB2 TYR A 67 0.728 -4.059 4.733 1.00 4.54 H new ATOM 0 HB3 TYR A 67 -0.477 -3.679 3.519 1.00 4.54 H new ATOM 0 HD1 TYR A 67 -1.747 -6.569 3.468 1.00 73.01 H new ATOM 0 HD2 TYR A 67 -0.766 -3.892 6.643 1.00 54.23 H new ATOM 0 HE1 TYR A 67 -3.503 -7.569 4.857 1.00 62.41 H new ATOM 0 HE2 TYR A 67 -2.514 -4.905 8.017 1.00 41.03 H new ATOM 0 HH TYR A 67 -4.113 -6.410 8.169 1.00 42.44 H new ATOM 1091 N ILE A 68 2.678 -4.348 2.215 1.00 62.13 N ATOM 1092 CA ILE A 68 3.504 -3.668 1.197 1.00 34.24 C ATOM 1093 C ILE A 68 3.582 -4.554 -0.057 1.00 63.20 C ATOM 1094 O ILE A 68 3.171 -4.128 -1.133 1.00 31.32 O ATOM 1095 CB ILE A 68 4.974 -3.321 1.680 1.00 12.42 C ATOM 1096 CG1 ILE A 68 4.959 -2.370 2.913 1.00 71.24 C ATOM 1097 CG2 ILE A 68 5.803 -2.691 0.522 1.00 2.13 C ATOM 1098 CD1 ILE A 68 6.337 -2.024 3.462 1.00 42.12 C ATOM 0 H ILE A 68 3.168 -4.541 3.088 1.00 62.13 H new ATOM 0 HA ILE A 68 3.017 -2.715 0.989 1.00 34.24 H new ATOM 0 HB ILE A 68 5.448 -4.255 1.981 1.00 12.42 H new ATOM 0 HG12 ILE A 68 4.450 -1.447 2.637 1.00 71.24 H new ATOM 0 HG13 ILE A 68 4.372 -2.833 3.706 1.00 71.24 H new ATOM 0 HG21 ILE A 68 6.808 -2.461 0.877 1.00 2.13 H new ATOM 0 HG22 ILE A 68 5.863 -3.396 -0.307 1.00 2.13 H new ATOM 0 HG23 ILE A 68 5.319 -1.774 0.185 1.00 2.13 H new ATOM 0 HD11 ILE A 68 6.231 -1.358 4.318 1.00 42.12 H new ATOM 0 HD12 ILE A 68 6.845 -2.937 3.773 1.00 42.12 H new ATOM 0 HD13 ILE A 68 6.923 -1.529 2.688 1.00 42.12 H new ATOM 1110 N LYS A 69 4.048 -5.810 0.131 1.00 11.23 N ATOM 1111 CA LYS A 69 4.205 -6.795 -0.955 1.00 24.13 C ATOM 1112 C LYS A 69 2.883 -6.979 -1.727 1.00 33.53 C ATOM 1113 O LYS A 69 2.866 -6.884 -2.958 1.00 33.33 O ATOM 1114 CB LYS A 69 4.697 -8.157 -0.375 1.00 11.54 C ATOM 1115 CG LYS A 69 4.813 -9.321 -1.400 1.00 3.24 C ATOM 1116 CD LYS A 69 5.791 -9.015 -2.556 1.00 31.34 C ATOM 1117 CE LYS A 69 5.883 -10.162 -3.580 1.00 11.14 C ATOM 1118 NZ LYS A 69 6.680 -9.764 -4.774 1.00 62.35 N ATOM 0 H LYS A 69 4.326 -6.167 1.045 1.00 11.23 H new ATOM 0 HA LYS A 69 4.952 -6.421 -1.655 1.00 24.13 H new ATOM 0 HB2 LYS A 69 5.673 -8.004 0.086 1.00 11.54 H new ATOM 0 HB3 LYS A 69 4.014 -8.462 0.418 1.00 11.54 H new ATOM 0 HG2 LYS A 69 5.142 -10.222 -0.882 1.00 3.24 H new ATOM 0 HG3 LYS A 69 3.827 -9.533 -1.813 1.00 3.24 H new ATOM 0 HD2 LYS A 69 5.472 -8.105 -3.064 1.00 31.34 H new ATOM 0 HD3 LYS A 69 6.782 -8.820 -2.146 1.00 31.34 H new ATOM 0 HE2 LYS A 69 6.339 -11.034 -3.111 1.00 11.14 H new ATOM 0 HE3 LYS A 69 4.880 -10.455 -3.891 1.00 11.14 H new ATOM 0 HZ1 LYS A 69 6.722 -10.559 -5.444 1.00 62.35 H new ATOM 0 HZ2 LYS A 69 6.231 -8.947 -5.234 1.00 62.35 H new ATOM 0 HZ3 LYS A 69 7.644 -9.508 -4.479 1.00 62.35 H new ATOM 1132 N GLN A 70 1.784 -7.173 -0.970 1.00 54.21 N ATOM 1133 CA GLN A 70 0.434 -7.364 -1.531 1.00 4.44 C ATOM 1134 C GLN A 70 0.023 -6.175 -2.410 1.00 34.32 C ATOM 1135 O GLN A 70 -0.430 -6.367 -3.541 1.00 3.51 O ATOM 1136 CB GLN A 70 -0.603 -7.585 -0.397 1.00 55.14 C ATOM 1137 CG GLN A 70 -0.423 -8.912 0.366 1.00 5.13 C ATOM 1138 CD GLN A 70 -1.337 -9.033 1.587 1.00 50.24 C ATOM 1139 OE1 GLN A 70 -0.972 -8.616 2.682 1.00 70.13 O ATOM 1140 NE2 GLN A 70 -2.517 -9.609 1.413 1.00 63.21 N ATOM 0 H GLN A 70 1.809 -7.201 0.049 1.00 54.21 H new ATOM 0 HA GLN A 70 0.457 -8.254 -2.160 1.00 4.44 H new ATOM 0 HB2 GLN A 70 -0.534 -6.759 0.310 1.00 55.14 H new ATOM 0 HB3 GLN A 70 -1.605 -7.556 -0.824 1.00 55.14 H new ATOM 0 HG2 GLN A 70 -0.620 -9.743 -0.311 1.00 5.13 H new ATOM 0 HG3 GLN A 70 0.615 -9.002 0.687 1.00 5.13 H new ATOM 0 HE21 GLN A 70 -2.789 -9.945 0.489 1.00 63.21 H new ATOM 0 HE22 GLN A 70 -3.153 -9.717 2.203 1.00 63.21 H new ATOM 1149 N THR A 71 0.245 -4.939 -1.906 1.00 23.34 N ATOM 1150 CA THR A 71 -0.186 -3.727 -2.607 1.00 64.51 C ATOM 1151 C THR A 71 0.784 -3.365 -3.738 1.00 13.14 C ATOM 1152 O THR A 71 0.418 -2.592 -4.604 1.00 33.21 O ATOM 1153 CB THR A 71 -0.457 -2.510 -1.656 1.00 42.23 C ATOM 1154 OG1 THR A 71 -1.091 -1.448 -2.390 1.00 15.42 O ATOM 1155 CG2 THR A 71 0.789 -1.945 -0.963 1.00 2.54 C ATOM 0 H THR A 71 0.719 -4.765 -1.020 1.00 23.34 H new ATOM 0 HA THR A 71 -1.152 -3.964 -3.052 1.00 64.51 H new ATOM 0 HB THR A 71 -1.101 -2.901 -0.869 1.00 42.23 H new ATOM 0 HG1 THR A 71 -2.037 -1.665 -2.527 1.00 15.42 H new ATOM 0 HG21 THR A 71 0.503 -1.107 -0.327 1.00 2.54 H new ATOM 0 HG22 THR A 71 1.251 -2.722 -0.354 1.00 2.54 H new ATOM 0 HG23 THR A 71 1.500 -1.603 -1.715 1.00 2.54 H new ATOM 1163 N LEU A 72 2.032 -3.898 -3.706 1.00 23.33 N ATOM 1164 CA LEU A 72 2.988 -3.757 -4.833 1.00 34.44 C ATOM 1165 C LEU A 72 2.517 -4.608 -6.017 1.00 64.51 C ATOM 1166 O LEU A 72 2.608 -4.178 -7.172 1.00 31.41 O ATOM 1167 CB LEU A 72 4.446 -4.174 -4.454 1.00 2.45 C ATOM 1168 CG LEU A 72 5.159 -3.346 -3.346 1.00 11.24 C ATOM 1169 CD1 LEU A 72 6.658 -3.714 -3.227 1.00 54.44 C ATOM 1170 CD2 LEU A 72 4.942 -1.840 -3.551 1.00 12.12 C ATOM 0 H LEU A 72 2.398 -4.427 -2.915 1.00 23.33 H new ATOM 0 HA LEU A 72 3.009 -2.700 -5.097 1.00 34.44 H new ATOM 0 HB2 LEU A 72 4.427 -5.217 -4.137 1.00 2.45 H new ATOM 0 HB3 LEU A 72 5.056 -4.126 -5.356 1.00 2.45 H new ATOM 0 HG LEU A 72 4.701 -3.608 -2.392 1.00 11.24 H new ATOM 0 HD11 LEU A 72 7.119 -3.114 -2.443 1.00 54.44 H new ATOM 0 HD12 LEU A 72 6.755 -4.771 -2.979 1.00 54.44 H new ATOM 0 HD13 LEU A 72 7.157 -3.517 -4.176 1.00 54.44 H new ATOM 0 HD21 LEU A 72 5.452 -1.288 -2.761 1.00 12.12 H new ATOM 0 HD22 LEU A 72 5.344 -1.543 -4.519 1.00 12.12 H new ATOM 0 HD23 LEU A 72 3.875 -1.618 -3.518 1.00 12.12 H new ATOM 1182 N ASP A 73 2.033 -5.831 -5.709 1.00 63.50 N ATOM 1183 CA ASP A 73 1.423 -6.716 -6.718 1.00 73.43 C ATOM 1184 C ASP A 73 0.174 -6.059 -7.311 1.00 13.32 C ATOM 1185 O ASP A 73 0.060 -5.942 -8.523 1.00 34.40 O ATOM 1186 CB ASP A 73 1.081 -8.122 -6.131 1.00 14.40 C ATOM 1187 CG ASP A 73 2.328 -9.005 -5.942 1.00 23.23 C ATOM 1188 OD1 ASP A 73 2.925 -9.001 -4.848 1.00 40.42 O ATOM 1189 OD2 ASP A 73 2.736 -9.685 -6.909 1.00 15.33 O ATOM 0 H ASP A 73 2.054 -6.225 -4.769 1.00 63.50 H new ATOM 0 HA ASP A 73 2.155 -6.868 -7.511 1.00 73.43 H new ATOM 0 HB2 ASP A 73 0.579 -7.998 -5.171 1.00 14.40 H new ATOM 0 HB3 ASP A 73 0.380 -8.628 -6.795 1.00 14.40 H new ATOM 1194 N ASN A 74 -0.725 -5.579 -6.432 1.00 55.10 N ATOM 1195 CA ASN A 74 -1.996 -4.941 -6.846 1.00 41.21 C ATOM 1196 C ASN A 74 -1.719 -3.702 -7.732 1.00 63.24 C ATOM 1197 O ASN A 74 -2.224 -3.609 -8.852 1.00 35.22 O ATOM 1198 CB ASN A 74 -2.842 -4.536 -5.611 1.00 35.34 C ATOM 1199 CG ASN A 74 -3.193 -5.699 -4.669 1.00 31.54 C ATOM 1200 OD1 ASN A 74 -3.296 -6.853 -5.078 1.00 11.22 O ATOM 1201 ND2 ASN A 74 -3.389 -5.397 -3.390 1.00 63.31 N ATOM 0 H ASN A 74 -0.596 -5.620 -5.421 1.00 55.10 H new ATOM 0 HA ASN A 74 -2.563 -5.669 -7.427 1.00 41.21 H new ATOM 0 HB2 ASN A 74 -2.298 -3.779 -5.046 1.00 35.34 H new ATOM 0 HB3 ASN A 74 -3.766 -4.073 -5.956 1.00 35.34 H new ATOM 0 HD21 ASN A 74 -3.631 -6.131 -2.724 1.00 63.31 H new ATOM 0 HD22 ASN A 74 -3.298 -4.431 -3.074 1.00 63.31 H new ATOM 1208 N GLU A 75 -0.852 -2.803 -7.214 1.00 41.05 N ATOM 1209 CA GLU A 75 -0.409 -1.557 -7.889 1.00 44.42 C ATOM 1210 C GLU A 75 0.130 -1.843 -9.300 1.00 21.54 C ATOM 1211 O GLU A 75 -0.390 -1.310 -10.288 1.00 10.41 O ATOM 1212 CB GLU A 75 0.701 -0.874 -7.013 1.00 61.32 C ATOM 1213 CG GLU A 75 1.502 0.298 -7.653 1.00 34.20 C ATOM 1214 CD GLU A 75 0.706 1.588 -7.948 1.00 64.03 C ATOM 1215 OE1 GLU A 75 1.258 2.467 -8.648 1.00 72.04 O ATOM 1216 OE2 GLU A 75 -0.462 1.738 -7.504 1.00 74.50 O ATOM 0 H GLU A 75 -0.430 -2.924 -6.294 1.00 41.05 H new ATOM 0 HA GLU A 75 -1.265 -0.891 -7.996 1.00 44.42 H new ATOM 0 HB2 GLU A 75 0.230 -0.502 -6.103 1.00 61.32 H new ATOM 0 HB3 GLU A 75 1.413 -1.643 -6.712 1.00 61.32 H new ATOM 0 HG2 GLU A 75 2.329 0.550 -6.989 1.00 34.20 H new ATOM 0 HG3 GLU A 75 1.939 -0.056 -8.587 1.00 34.20 H new ATOM 1223 N GLN A 76 1.136 -2.731 -9.379 1.00 5.15 N ATOM 1224 CA GLN A 76 1.891 -2.983 -10.619 1.00 32.51 C ATOM 1225 C GLN A 76 1.033 -3.724 -11.662 1.00 1.55 C ATOM 1226 O GLN A 76 1.067 -3.381 -12.852 1.00 2.24 O ATOM 1227 CB GLN A 76 3.179 -3.781 -10.305 1.00 60.25 C ATOM 1228 CG GLN A 76 4.134 -3.931 -11.502 1.00 73.41 C ATOM 1229 CD GLN A 76 5.429 -4.692 -11.195 1.00 52.32 C ATOM 1230 OE1 GLN A 76 6.481 -4.398 -11.758 1.00 71.30 O ATOM 1231 NE2 GLN A 76 5.366 -5.681 -10.321 1.00 5.21 N ATOM 0 H GLN A 76 1.448 -3.293 -8.587 1.00 5.15 H new ATOM 0 HA GLN A 76 2.167 -2.020 -11.048 1.00 32.51 H new ATOM 0 HB2 GLN A 76 3.710 -3.288 -9.491 1.00 60.25 H new ATOM 0 HB3 GLN A 76 2.901 -4.773 -9.949 1.00 60.25 H new ATOM 0 HG2 GLN A 76 3.608 -4.445 -12.307 1.00 73.41 H new ATOM 0 HG3 GLN A 76 4.391 -2.938 -11.872 1.00 73.41 H new ATOM 0 HE21 GLN A 76 4.480 -5.905 -9.867 1.00 5.21 H new ATOM 0 HE22 GLN A 76 6.203 -6.220 -10.100 1.00 5.21 H new ATOM 1240 N LEU A 77 0.259 -4.730 -11.200 1.00 2.14 N ATOM 1241 CA LEU A 77 -0.650 -5.510 -12.075 1.00 13.12 C ATOM 1242 C LEU A 77 -1.726 -4.599 -12.690 1.00 24.24 C ATOM 1243 O LEU A 77 -2.083 -4.767 -13.857 1.00 1.24 O ATOM 1244 CB LEU A 77 -1.320 -6.682 -11.298 1.00 11.00 C ATOM 1245 CG LEU A 77 -0.379 -7.858 -10.874 1.00 0.32 C ATOM 1246 CD1 LEU A 77 -1.144 -8.908 -10.028 1.00 12.52 C ATOM 1247 CD2 LEU A 77 0.304 -8.500 -12.100 1.00 44.40 C ATOM 0 H LEU A 77 0.244 -5.023 -10.223 1.00 2.14 H new ATOM 0 HA LEU A 77 -0.048 -5.936 -12.878 1.00 13.12 H new ATOM 0 HB2 LEU A 77 -1.786 -6.276 -10.400 1.00 11.00 H new ATOM 0 HB3 LEU A 77 -2.120 -7.089 -11.916 1.00 11.00 H new ATOM 0 HG LEU A 77 0.410 -7.445 -10.245 1.00 0.32 H new ATOM 0 HD11 LEU A 77 -0.465 -9.714 -9.747 1.00 12.52 H new ATOM 0 HD12 LEU A 77 -1.536 -8.434 -9.128 1.00 12.52 H new ATOM 0 HD13 LEU A 77 -1.969 -9.315 -10.613 1.00 12.52 H new ATOM 0 HD21 LEU A 77 0.951 -9.314 -11.772 1.00 44.40 H new ATOM 0 HD22 LEU A 77 -0.456 -8.891 -12.777 1.00 44.40 H new ATOM 0 HD23 LEU A 77 0.900 -7.749 -12.619 1.00 44.40 H new ATOM 1259 N LEU A 78 -2.227 -3.631 -11.889 1.00 44.43 N ATOM 1260 CA LEU A 78 -3.176 -2.610 -12.374 1.00 54.32 C ATOM 1261 C LEU A 78 -2.541 -1.723 -13.451 1.00 52.04 C ATOM 1262 O LEU A 78 -3.121 -1.551 -14.516 1.00 31.41 O ATOM 1263 CB LEU A 78 -3.731 -1.739 -11.203 1.00 32.13 C ATOM 1264 CG LEU A 78 -4.736 -2.468 -10.262 1.00 1.33 C ATOM 1265 CD1 LEU A 78 -5.270 -1.528 -9.166 1.00 23.55 C ATOM 1266 CD2 LEU A 78 -5.877 -3.093 -11.075 1.00 21.13 C ATOM 0 H LEU A 78 -1.987 -3.538 -10.902 1.00 44.43 H new ATOM 0 HA LEU A 78 -4.015 -3.142 -12.823 1.00 54.32 H new ATOM 0 HB2 LEU A 78 -2.892 -1.381 -10.607 1.00 32.13 H new ATOM 0 HB3 LEU A 78 -4.221 -0.861 -11.623 1.00 32.13 H new ATOM 0 HG LEU A 78 -4.202 -3.272 -9.756 1.00 1.33 H new ATOM 0 HD11 LEU A 78 -5.968 -2.071 -8.529 1.00 23.55 H new ATOM 0 HD12 LEU A 78 -4.439 -1.162 -8.564 1.00 23.55 H new ATOM 0 HD13 LEU A 78 -5.782 -0.684 -9.628 1.00 23.55 H new ATOM 0 HD21 LEU A 78 -6.569 -3.598 -10.402 1.00 21.13 H new ATOM 0 HD22 LEU A 78 -6.406 -2.311 -11.620 1.00 21.13 H new ATOM 0 HD23 LEU A 78 -5.467 -3.814 -11.782 1.00 21.13 H new ATOM 1278 N LYS A 79 -1.331 -1.205 -13.174 1.00 13.35 N ATOM 1279 CA LYS A 79 -0.613 -0.290 -14.097 1.00 51.12 C ATOM 1280 C LYS A 79 -0.277 -0.980 -15.434 1.00 63.34 C ATOM 1281 O LYS A 79 -0.304 -0.347 -16.501 1.00 41.00 O ATOM 1282 CB LYS A 79 0.679 0.260 -13.423 1.00 23.31 C ATOM 1283 CG LYS A 79 0.419 1.118 -12.165 1.00 12.00 C ATOM 1284 CD LYS A 79 -0.518 2.313 -12.445 1.00 22.32 C ATOM 1285 CE LYS A 79 -0.806 3.144 -11.191 1.00 72.22 C ATOM 1286 NZ LYS A 79 -1.494 2.372 -10.128 1.00 74.54 N ATOM 0 H LYS A 79 -0.822 -1.403 -12.313 1.00 13.35 H new ATOM 0 HA LYS A 79 -1.277 0.546 -14.317 1.00 51.12 H new ATOM 0 HB2 LYS A 79 1.319 -0.579 -13.151 1.00 23.31 H new ATOM 0 HB3 LYS A 79 1.229 0.858 -14.150 1.00 23.31 H new ATOM 0 HG2 LYS A 79 -0.019 0.492 -11.387 1.00 12.00 H new ATOM 0 HG3 LYS A 79 1.369 1.488 -11.780 1.00 12.00 H new ATOM 0 HD2 LYS A 79 -0.068 2.952 -13.204 1.00 22.32 H new ATOM 0 HD3 LYS A 79 -1.458 1.944 -12.855 1.00 22.32 H new ATOM 0 HE2 LYS A 79 0.132 3.535 -10.798 1.00 72.22 H new ATOM 0 HE3 LYS A 79 -1.420 4.002 -11.464 1.00 72.22 H new ATOM 0 HZ1 LYS A 79 -1.481 2.915 -9.241 1.00 74.54 H new ATOM 0 HZ2 LYS A 79 -2.479 2.194 -10.411 1.00 74.54 H new ATOM 0 HZ3 LYS A 79 -1.005 1.465 -9.986 1.00 74.54 H new ATOM 1300 N GLY A 80 0.006 -2.293 -15.346 1.00 54.43 N ATOM 1301 CA GLY A 80 0.287 -3.122 -16.517 1.00 20.32 C ATOM 1302 C GLY A 80 -0.969 -3.459 -17.303 1.00 1.25 C ATOM 1303 O GLY A 80 -0.936 -3.521 -18.536 1.00 34.11 O ATOM 0 H GLY A 80 0.044 -2.801 -14.462 1.00 54.43 H new ATOM 0 HA2 GLY A 80 0.990 -2.601 -17.167 1.00 20.32 H new ATOM 0 HA3 GLY A 80 0.771 -4.045 -16.198 1.00 20.32 H new ATOM 1307 N LEU A 81 -2.084 -3.660 -16.571 1.00 21.41 N ATOM 1308 CA LEU A 81 -3.407 -3.958 -17.155 1.00 0.22 C ATOM 1309 C LEU A 81 -3.908 -2.718 -17.925 1.00 14.55 C ATOM 1310 O LEU A 81 -4.510 -2.842 -19.000 1.00 65.42 O ATOM 1311 CB LEU A 81 -4.420 -4.388 -16.033 1.00 15.14 C ATOM 1312 CG LEU A 81 -5.527 -5.435 -16.421 1.00 22.02 C ATOM 1313 CD1 LEU A 81 -6.370 -5.820 -15.184 1.00 71.30 C ATOM 1314 CD2 LEU A 81 -6.421 -4.944 -17.586 1.00 33.20 C ATOM 0 H LEU A 81 -2.091 -3.620 -15.552 1.00 21.41 H new ATOM 0 HA LEU A 81 -3.324 -4.793 -17.851 1.00 0.22 H new ATOM 0 HB2 LEU A 81 -3.847 -4.796 -15.200 1.00 15.14 H new ATOM 0 HB3 LEU A 81 -4.919 -3.490 -15.667 1.00 15.14 H new ATOM 0 HG LEU A 81 -5.017 -6.329 -16.780 1.00 22.02 H new ATOM 0 HD11 LEU A 81 -7.130 -6.545 -15.473 1.00 71.30 H new ATOM 0 HD12 LEU A 81 -5.722 -6.257 -14.424 1.00 71.30 H new ATOM 0 HD13 LEU A 81 -6.853 -4.930 -14.781 1.00 71.30 H new ATOM 0 HD21 LEU A 81 -7.169 -5.703 -17.815 1.00 33.20 H new ATOM 0 HD22 LEU A 81 -6.920 -4.019 -17.297 1.00 33.20 H new ATOM 0 HD23 LEU A 81 -5.805 -4.764 -18.467 1.00 33.20 H new ATOM 1326 N LEU A 82 -3.616 -1.523 -17.364 1.00 41.13 N ATOM 1327 CA LEU A 82 -4.001 -0.229 -17.949 1.00 31.00 C ATOM 1328 C LEU A 82 -3.460 -0.072 -19.376 1.00 32.14 C ATOM 1329 O LEU A 82 -4.174 0.429 -20.251 1.00 74.52 O ATOM 1330 CB LEU A 82 -3.494 0.966 -17.072 1.00 32.42 C ATOM 1331 CG LEU A 82 -4.164 1.154 -15.677 1.00 44.20 C ATOM 1332 CD1 LEU A 82 -3.611 2.401 -14.950 1.00 61.04 C ATOM 1333 CD2 LEU A 82 -5.696 1.195 -15.798 1.00 73.20 C ATOM 0 H LEU A 82 -3.103 -1.434 -16.487 1.00 41.13 H new ATOM 0 HA LEU A 82 -5.090 -0.212 -17.981 1.00 31.00 H new ATOM 0 HB2 LEU A 82 -2.422 0.843 -16.919 1.00 32.42 H new ATOM 0 HB3 LEU A 82 -3.631 1.886 -17.641 1.00 32.42 H new ATOM 0 HG LEU A 82 -3.910 0.288 -15.066 1.00 44.20 H new ATOM 0 HD11 LEU A 82 -4.099 2.503 -13.981 1.00 61.04 H new ATOM 0 HD12 LEU A 82 -2.536 2.291 -14.806 1.00 61.04 H new ATOM 0 HD13 LEU A 82 -3.807 3.289 -15.551 1.00 61.04 H new ATOM 0 HD21 LEU A 82 -6.136 1.327 -14.809 1.00 73.20 H new ATOM 0 HD22 LEU A 82 -5.988 2.027 -16.439 1.00 73.20 H new ATOM 0 HD23 LEU A 82 -6.052 0.260 -16.232 1.00 73.20 H new ATOM 1490 N LEU A 92 0.145 11.255 -7.494 1.00 42.44 N ATOM 1491 CA LEU A 92 1.173 11.278 -6.413 1.00 60.43 C ATOM 1492 C LEU A 92 2.432 12.104 -6.802 1.00 52.32 C ATOM 1493 O LEU A 92 2.330 13.106 -7.516 1.00 60.41 O ATOM 1494 CB LEU A 92 1.576 9.821 -6.035 1.00 31.21 C ATOM 1495 CG LEU A 92 0.435 8.818 -5.717 1.00 14.15 C ATOM 1496 CD1 LEU A 92 1.005 7.441 -5.321 1.00 3.40 C ATOM 1497 CD2 LEU A 92 -0.528 9.370 -4.658 1.00 71.24 C ATOM 0 HA LEU A 92 0.726 11.772 -5.550 1.00 60.43 H new ATOM 0 HB2 LEU A 92 2.164 9.411 -6.857 1.00 31.21 H new ATOM 0 HB3 LEU A 92 2.233 9.869 -5.166 1.00 31.21 H new ATOM 0 HG LEU A 92 -0.150 8.679 -6.626 1.00 14.15 H new ATOM 0 HD11 LEU A 92 0.185 6.757 -5.103 1.00 3.40 H new ATOM 0 HD12 LEU A 92 1.601 7.044 -6.143 1.00 3.40 H new ATOM 0 HD13 LEU A 92 1.633 7.548 -4.436 1.00 3.40 H new ATOM 0 HD21 LEU A 92 -1.312 8.639 -4.463 1.00 71.24 H new ATOM 0 HD22 LEU A 92 0.020 9.569 -3.737 1.00 71.24 H new ATOM 0 HD23 LEU A 92 -0.976 10.295 -5.021 1.00 71.24 H new ATOM 1509 N ILE A 93 3.602 11.692 -6.277 1.00 74.13 N ATOM 1510 CA ILE A 93 4.918 12.166 -6.733 1.00 23.51 C ATOM 1511 C ILE A 93 5.054 11.975 -8.273 1.00 11.42 C ATOM 1512 O ILE A 93 5.138 10.835 -8.767 1.00 22.22 O ATOM 1513 CB ILE A 93 6.072 11.389 -5.986 1.00 53.20 C ATOM 1514 CG1 ILE A 93 5.862 11.435 -4.433 1.00 33.32 C ATOM 1515 CG2 ILE A 93 7.461 11.945 -6.381 1.00 3.14 C ATOM 1516 CD1 ILE A 93 6.837 10.586 -3.622 1.00 41.42 C ATOM 0 H ILE A 93 3.658 11.014 -5.517 1.00 74.13 H new ATOM 0 HA ILE A 93 5.005 13.227 -6.500 1.00 23.51 H new ATOM 0 HB ILE A 93 6.033 10.345 -6.297 1.00 53.20 H new ATOM 0 HG12 ILE A 93 5.943 12.470 -4.102 1.00 33.32 H new ATOM 0 HG13 ILE A 93 4.847 11.108 -4.209 1.00 33.32 H new ATOM 0 HG21 ILE A 93 8.238 11.392 -5.852 1.00 3.14 H new ATOM 0 HG22 ILE A 93 7.605 11.835 -7.456 1.00 3.14 H new ATOM 0 HG23 ILE A 93 7.520 13.000 -6.113 1.00 3.14 H new ATOM 0 HD11 ILE A 93 6.610 10.685 -2.561 1.00 41.42 H new ATOM 0 HD12 ILE A 93 6.742 9.541 -3.918 1.00 41.42 H new ATOM 0 HD13 ILE A 93 7.856 10.925 -3.808 1.00 41.42 H new ATOM 1528 N GLY A 94 5.078 13.108 -9.006 1.00 71.43 N ATOM 1529 CA GLY A 94 5.106 13.119 -10.480 1.00 55.15 C ATOM 1530 C GLY A 94 6.471 12.795 -11.080 1.00 3.40 C ATOM 1531 O GLY A 94 6.627 12.793 -12.303 1.00 30.20 O ATOM 0 H GLY A 94 5.078 14.040 -8.591 1.00 71.43 H new ATOM 0 HA2 GLY A 94 4.377 12.399 -10.852 1.00 55.15 H new ATOM 0 HA3 GLY A 94 4.791 14.101 -10.831 1.00 55.15 H new ATOM 1535 N GLN A 95 7.461 12.531 -10.207 1.00 15.44 N ATOM 1536 CA GLN A 95 8.778 11.978 -10.596 1.00 13.23 C ATOM 1537 C GLN A 95 8.638 10.503 -11.058 1.00 63.02 C ATOM 1538 O GLN A 95 9.583 9.928 -11.619 1.00 54.44 O ATOM 1539 CB GLN A 95 9.769 12.106 -9.400 1.00 24.45 C ATOM 1540 CG GLN A 95 11.219 11.645 -9.683 1.00 32.33 C ATOM 1541 CD GLN A 95 12.203 11.833 -8.518 1.00 64.13 C ATOM 1542 OE1 GLN A 95 13.398 12.044 -8.739 1.00 31.23 O ATOM 1543 NE2 GLN A 95 11.724 11.751 -7.278 1.00 33.43 N ATOM 0 H GLN A 95 7.372 12.696 -9.204 1.00 15.44 H new ATOM 0 HA GLN A 95 9.173 12.547 -11.438 1.00 13.23 H new ATOM 0 HB2 GLN A 95 9.793 13.148 -9.081 1.00 24.45 H new ATOM 0 HB3 GLN A 95 9.379 11.526 -8.564 1.00 24.45 H new ATOM 0 HG2 GLN A 95 11.201 10.590 -9.956 1.00 32.33 H new ATOM 0 HG3 GLN A 95 11.595 12.192 -10.548 1.00 32.33 H new ATOM 0 HE21 GLN A 95 10.731 11.576 -7.125 1.00 33.43 H new ATOM 0 HE22 GLN A 95 12.350 11.864 -6.481 1.00 33.43 H new ATOM 1552 N SER A 96 7.440 9.917 -10.800 1.00 71.41 N ATOM 1553 CA SER A 96 7.063 8.551 -11.207 1.00 40.14 C ATOM 1554 C SER A 96 7.783 7.491 -10.355 1.00 31.43 C ATOM 1555 O SER A 96 7.786 6.312 -10.690 1.00 31.51 O ATOM 1556 CB SER A 96 7.274 8.327 -12.739 1.00 12.14 C ATOM 1557 OG SER A 96 6.729 7.088 -13.174 1.00 41.42 O ATOM 0 H SER A 96 6.698 10.397 -10.292 1.00 71.41 H new ATOM 0 HA SER A 96 5.996 8.434 -11.020 1.00 40.14 H new ATOM 0 HB2 SER A 96 6.809 9.143 -13.293 1.00 12.14 H new ATOM 0 HB3 SER A 96 8.340 8.355 -12.967 1.00 12.14 H new ATOM 0 HG SER A 96 6.881 6.405 -12.488 1.00 41.42 H new ATOM 1563 N THR A 97 8.314 7.919 -9.199 1.00 3.45 N ATOM 1564 CA THR A 97 9.049 7.050 -8.266 1.00 0.42 C ATOM 1565 C THR A 97 8.090 6.335 -7.276 1.00 23.32 C ATOM 1566 O THR A 97 8.543 5.793 -6.290 1.00 40.44 O ATOM 1567 CB THR A 97 10.108 7.901 -7.468 1.00 45.53 C ATOM 1568 OG1 THR A 97 11.003 7.047 -6.729 1.00 23.45 O ATOM 1569 CG2 THR A 97 9.436 8.895 -6.494 1.00 20.44 C ATOM 0 H THR A 97 8.245 8.886 -8.883 1.00 3.45 H new ATOM 0 HA THR A 97 9.558 6.283 -8.850 1.00 0.42 H new ATOM 0 HB THR A 97 10.672 8.470 -8.207 1.00 45.53 H new ATOM 0 HG1 THR A 97 10.494 6.319 -6.315 1.00 23.45 H new ATOM 0 HG21 THR A 97 10.203 9.461 -5.965 1.00 20.44 H new ATOM 0 HG22 THR A 97 8.801 9.581 -7.055 1.00 20.44 H new ATOM 0 HG23 THR A 97 8.829 8.345 -5.774 1.00 20.44 H new ATOM 1577 N ARG A 98 6.782 6.299 -7.580 1.00 4.54 N ATOM 1578 CA ARG A 98 5.718 5.896 -6.619 1.00 23.02 C ATOM 1579 C ARG A 98 5.826 4.415 -6.204 1.00 54.34 C ATOM 1580 O ARG A 98 6.000 4.089 -5.009 1.00 54.32 O ATOM 1581 CB ARG A 98 4.346 6.157 -7.292 1.00 22.42 C ATOM 1582 CG ARG A 98 4.099 7.640 -7.635 1.00 40.42 C ATOM 1583 CD ARG A 98 2.995 7.823 -8.689 1.00 52.12 C ATOM 1584 NE ARG A 98 3.444 7.416 -10.028 1.00 74.34 N ATOM 1585 CZ ARG A 98 3.499 8.229 -11.102 1.00 51.04 C ATOM 1586 NH1 ARG A 98 3.124 9.501 -11.023 1.00 31.05 N ATOM 1587 NH2 ARG A 98 3.964 7.774 -12.243 1.00 24.33 N ATOM 0 H ARG A 98 6.422 6.548 -8.501 1.00 4.54 H new ATOM 0 HA ARG A 98 5.831 6.483 -5.707 1.00 23.02 H new ATOM 0 HB2 ARG A 98 4.280 5.566 -8.205 1.00 22.42 H new ATOM 0 HB3 ARG A 98 3.554 5.809 -6.629 1.00 22.42 H new ATOM 0 HG2 ARG A 98 3.824 8.179 -6.728 1.00 40.42 H new ATOM 0 HG3 ARG A 98 5.024 8.084 -8.002 1.00 40.42 H new ATOM 0 HD2 ARG A 98 2.121 7.237 -8.405 1.00 52.12 H new ATOM 0 HD3 ARG A 98 2.684 8.868 -8.712 1.00 52.12 H new ATOM 0 HE ARG A 98 3.736 6.447 -10.154 1.00 74.34 H new ATOM 0 HH11 ARG A 98 2.787 9.879 -10.138 1.00 31.05 H new ATOM 0 HH12 ARG A 98 3.173 10.099 -11.848 1.00 31.05 H new ATOM 0 HH21 ARG A 98 4.282 6.808 -12.315 1.00 24.33 H new ATOM 0 HH22 ARG A 98 4.007 8.387 -13.057 1.00 24.33 H new ATOM 1601 N GLN A 99 5.770 3.530 -7.214 1.00 72.14 N ATOM 1602 CA GLN A 99 5.892 2.080 -7.012 1.00 34.12 C ATOM 1603 C GLN A 99 7.289 1.750 -6.449 1.00 44.33 C ATOM 1604 O GLN A 99 7.437 0.902 -5.565 1.00 34.12 O ATOM 1605 CB GLN A 99 5.653 1.339 -8.354 1.00 2.23 C ATOM 1606 CG GLN A 99 5.771 -0.195 -8.263 1.00 43.33 C ATOM 1607 CD GLN A 99 5.750 -0.891 -9.624 1.00 34.34 C ATOM 1608 OE1 GLN A 99 5.106 -0.437 -10.570 1.00 3.52 O ATOM 1609 NE2 GLN A 99 6.481 -1.988 -9.741 1.00 41.24 N ATOM 0 H GLN A 99 5.639 3.800 -8.189 1.00 72.14 H new ATOM 0 HA GLN A 99 5.140 1.748 -6.296 1.00 34.12 H new ATOM 0 HB2 GLN A 99 4.660 1.594 -8.724 1.00 2.23 H new ATOM 0 HB3 GLN A 99 6.370 1.704 -9.089 1.00 2.23 H new ATOM 0 HG2 GLN A 99 6.697 -0.450 -7.748 1.00 43.33 H new ATOM 0 HG3 GLN A 99 4.952 -0.579 -7.655 1.00 43.33 H new ATOM 0 HE21 GLN A 99 7.004 -2.340 -8.939 1.00 41.24 H new ATOM 0 HE22 GLN A 99 6.521 -2.481 -10.633 1.00 41.24 H new ATOM 1618 N LYS A 100 8.291 2.492 -6.955 1.00 21.51 N ATOM 1619 CA LYS A 100 9.690 2.379 -6.528 1.00 45.45 C ATOM 1620 C LYS A 100 9.878 2.879 -5.077 1.00 61.52 C ATOM 1621 O LYS A 100 10.780 2.432 -4.381 1.00 72.22 O ATOM 1622 CB LYS A 100 10.605 3.182 -7.494 1.00 42.35 C ATOM 1623 CG LYS A 100 12.108 2.967 -7.243 1.00 0.54 C ATOM 1624 CD LYS A 100 13.019 3.890 -8.071 1.00 12.24 C ATOM 1625 CE LYS A 100 14.503 3.622 -7.766 1.00 64.44 C ATOM 1626 NZ LYS A 100 14.798 3.690 -6.305 1.00 61.52 N ATOM 0 H LYS A 100 8.146 3.194 -7.680 1.00 21.51 H new ATOM 0 HA LYS A 100 9.969 1.326 -6.558 1.00 45.45 H new ATOM 0 HB2 LYS A 100 10.373 2.898 -8.520 1.00 42.35 H new ATOM 0 HB3 LYS A 100 10.378 4.244 -7.398 1.00 42.35 H new ATOM 0 HG2 LYS A 100 12.315 3.124 -6.184 1.00 0.54 H new ATOM 0 HG3 LYS A 100 12.359 1.930 -7.467 1.00 0.54 H new ATOM 0 HD2 LYS A 100 12.829 3.736 -9.133 1.00 12.24 H new ATOM 0 HD3 LYS A 100 12.782 4.931 -7.853 1.00 12.24 H new ATOM 0 HE2 LYS A 100 14.778 2.638 -8.145 1.00 64.44 H new ATOM 0 HE3 LYS A 100 15.118 4.351 -8.294 1.00 64.44 H new ATOM 0 HZ1 LYS A 100 15.828 3.690 -6.158 1.00 61.52 H new ATOM 0 HZ2 LYS A 100 14.392 4.562 -5.909 1.00 61.52 H new ATOM 0 HZ3 LYS A 100 14.380 2.866 -5.828 1.00 61.52 H new ATOM 1640 N SER A 101 8.997 3.793 -4.634 1.00 1.15 N ATOM 1641 CA SER A 101 9.055 4.393 -3.292 1.00 1.31 C ATOM 1642 C SER A 101 8.610 3.363 -2.265 1.00 22.10 C ATOM 1643 O SER A 101 9.287 3.156 -1.259 1.00 32.42 O ATOM 1644 CB SER A 101 8.169 5.664 -3.211 1.00 31.05 C ATOM 1645 OG SER A 101 8.211 6.264 -1.927 1.00 13.21 O ATOM 0 H SER A 101 8.222 4.137 -5.200 1.00 1.15 H new ATOM 0 HA SER A 101 10.081 4.695 -3.082 1.00 1.31 H new ATOM 0 HB2 SER A 101 8.501 6.385 -3.958 1.00 31.05 H new ATOM 0 HB3 SER A 101 7.139 5.403 -3.455 1.00 31.05 H new ATOM 0 HG SER A 101 7.297 6.428 -1.613 1.00 13.21 H new ATOM 1651 N LEU A 102 7.461 2.703 -2.541 1.00 51.14 N ATOM 1652 CA LEU A 102 6.949 1.614 -1.672 1.00 4.25 C ATOM 1653 C LEU A 102 7.849 0.352 -1.755 1.00 31.34 C ATOM 1654 O LEU A 102 7.964 -0.404 -0.775 1.00 3.34 O ATOM 1655 CB LEU A 102 5.475 1.247 -2.011 1.00 44.43 C ATOM 1656 CG LEU A 102 4.355 2.219 -1.507 1.00 4.03 C ATOM 1657 CD1 LEU A 102 4.453 3.603 -2.172 1.00 42.32 C ATOM 1658 CD2 LEU A 102 2.956 1.578 -1.703 1.00 11.34 C ATOM 0 H LEU A 102 6.874 2.902 -3.351 1.00 51.14 H new ATOM 0 HA LEU A 102 6.976 1.990 -0.649 1.00 4.25 H new ATOM 0 HB2 LEU A 102 5.389 1.167 -3.095 1.00 44.43 H new ATOM 0 HB3 LEU A 102 5.272 0.258 -1.601 1.00 44.43 H new ATOM 0 HG LEU A 102 4.504 2.382 -0.440 1.00 4.03 H new ATOM 0 HD11 LEU A 102 3.658 4.245 -1.794 1.00 42.32 H new ATOM 0 HD12 LEU A 102 5.420 4.050 -1.942 1.00 42.32 H new ATOM 0 HD13 LEU A 102 4.350 3.496 -3.252 1.00 42.32 H new ATOM 0 HD21 LEU A 102 2.188 2.265 -1.348 1.00 11.34 H new ATOM 0 HD22 LEU A 102 2.796 1.370 -2.761 1.00 11.34 H new ATOM 0 HD23 LEU A 102 2.900 0.648 -1.138 1.00 11.34 H new ATOM 1670 N ASN A 103 8.489 0.140 -2.922 1.00 13.11 N ATOM 1671 CA ASN A 103 9.384 -1.016 -3.141 1.00 32.01 C ATOM 1672 C ASN A 103 10.686 -0.850 -2.336 1.00 2.43 C ATOM 1673 O ASN A 103 11.091 -1.743 -1.593 1.00 3.43 O ATOM 1674 CB ASN A 103 9.694 -1.193 -4.646 1.00 71.31 C ATOM 1675 CG ASN A 103 10.437 -2.499 -4.950 1.00 32.31 C ATOM 1676 OD1 ASN A 103 11.670 -2.552 -4.938 1.00 62.53 O ATOM 1677 ND2 ASN A 103 9.699 -3.563 -5.206 1.00 61.43 N ATOM 0 H ASN A 103 8.403 0.756 -3.730 1.00 13.11 H new ATOM 0 HA ASN A 103 8.874 -1.914 -2.791 1.00 32.01 H new ATOM 0 HB2 ASN A 103 8.761 -1.171 -5.209 1.00 71.31 H new ATOM 0 HB3 ASN A 103 10.294 -0.350 -4.990 1.00 71.31 H new ATOM 0 HD21 ASN A 103 10.146 -4.459 -5.401 1.00 61.43 H new ATOM 0 HD22 ASN A 103 8.682 -3.489 -5.209 1.00 61.43 H new ATOM 1684 N ASN A 104 11.321 0.324 -2.474 1.00 35.44 N ATOM 1685 CA ASN A 104 12.541 0.676 -1.715 1.00 10.23 C ATOM 1686 C ASN A 104 12.219 0.924 -0.238 1.00 23.11 C ATOM 1687 O ASN A 104 13.122 0.889 0.601 1.00 33.40 O ATOM 1688 CB ASN A 104 13.255 1.900 -2.345 1.00 22.45 C ATOM 1689 CG ASN A 104 14.065 1.533 -3.594 1.00 50.10 C ATOM 1690 OD1 ASN A 104 13.555 1.528 -4.716 1.00 12.21 O ATOM 1691 ND2 ASN A 104 15.337 1.214 -3.405 1.00 13.11 N ATOM 0 H ASN A 104 11.008 1.057 -3.111 1.00 35.44 H new ATOM 0 HA ASN A 104 13.224 -0.172 -1.768 1.00 10.23 H new ATOM 0 HB2 ASN A 104 12.512 2.654 -2.607 1.00 22.45 H new ATOM 0 HB3 ASN A 104 13.918 2.349 -1.606 1.00 22.45 H new ATOM 0 HD21 ASN A 104 15.921 0.955 -4.200 1.00 13.11 H new ATOM 0 HD22 ASN A 104 15.732 1.227 -2.465 1.00 13.11 H new ATOM 1698 N ALA A 105 10.929 1.180 0.063 1.00 12.10 N ATOM 1699 CA ALA A 105 10.428 1.208 1.443 1.00 41.22 C ATOM 1700 C ALA A 105 10.542 -0.193 2.067 1.00 21.44 C ATOM 1701 O ALA A 105 11.056 -0.331 3.176 1.00 70.25 O ATOM 1702 CB ALA A 105 8.986 1.725 1.502 1.00 75.03 C ATOM 0 H ALA A 105 10.215 1.371 -0.640 1.00 12.10 H new ATOM 0 HA ALA A 105 11.041 1.900 2.021 1.00 41.22 H new ATOM 0 HB1 ALA A 105 8.645 1.733 2.537 1.00 75.03 H new ATOM 0 HB2 ALA A 105 8.945 2.737 1.098 1.00 75.03 H new ATOM 0 HB3 ALA A 105 8.341 1.073 0.913 1.00 75.03 H new ATOM 1708 N TYR A 106 10.087 -1.227 1.321 1.00 73.53 N ATOM 1709 CA TYR A 106 10.240 -2.644 1.728 1.00 63.30 C ATOM 1710 C TYR A 106 11.746 -2.967 1.923 1.00 1.04 C ATOM 1711 O TYR A 106 12.134 -3.588 2.922 1.00 41.31 O ATOM 1712 CB TYR A 106 9.608 -3.587 0.650 1.00 61.44 C ATOM 1713 CG TYR A 106 9.348 -5.055 1.090 1.00 54.15 C ATOM 1714 CD1 TYR A 106 10.364 -5.859 1.626 1.00 35.22 C ATOM 1715 CD2 TYR A 106 8.083 -5.640 0.952 1.00 40.43 C ATOM 1716 CE1 TYR A 106 10.128 -7.159 2.014 1.00 5.41 C ATOM 1717 CE2 TYR A 106 7.852 -6.946 1.341 1.00 31.21 C ATOM 1718 CZ TYR A 106 8.877 -7.696 1.868 1.00 3.21 C ATOM 1719 OH TYR A 106 8.645 -8.993 2.268 1.00 61.34 O ATOM 0 H TYR A 106 9.608 -1.105 0.429 1.00 73.53 H new ATOM 0 HA TYR A 106 9.719 -2.808 2.671 1.00 63.30 H new ATOM 0 HB2 TYR A 106 8.661 -3.153 0.328 1.00 61.44 H new ATOM 0 HB3 TYR A 106 10.265 -3.601 -0.220 1.00 61.44 H new ATOM 0 HD1 TYR A 106 11.357 -5.448 1.737 1.00 35.22 H new ATOM 0 HD2 TYR A 106 7.273 -5.060 0.534 1.00 40.43 H new ATOM 0 HE1 TYR A 106 10.927 -7.753 2.432 1.00 5.41 H new ATOM 0 HE2 TYR A 106 6.868 -7.377 1.231 1.00 31.21 H new ATOM 0 HH TYR A 106 7.708 -9.225 2.099 1.00 61.34 H new ATOM 1729 N GLY A 107 12.574 -2.512 0.958 1.00 54.31 N ATOM 1730 CA GLY A 107 14.027 -2.733 0.983 1.00 12.43 C ATOM 1731 C GLY A 107 14.704 -2.163 2.226 1.00 21.02 C ATOM 1732 O GLY A 107 15.516 -2.838 2.876 1.00 14.21 O ATOM 0 H GLY A 107 12.252 -1.985 0.146 1.00 54.31 H new ATOM 0 HA2 GLY A 107 14.225 -3.803 0.928 1.00 12.43 H new ATOM 0 HA3 GLY A 107 14.471 -2.281 0.096 1.00 12.43 H new ATOM 1736 N ARG A 108 14.323 -0.924 2.582 1.00 64.23 N ATOM 1737 CA ARG A 108 14.878 -0.225 3.757 1.00 51.55 C ATOM 1738 C ARG A 108 14.176 -0.678 5.054 1.00 11.24 C ATOM 1739 O ARG A 108 14.656 -0.392 6.131 1.00 4.11 O ATOM 1740 CB ARG A 108 14.787 1.317 3.581 1.00 51.43 C ATOM 1741 CG ARG A 108 13.368 1.894 3.711 1.00 22.12 C ATOM 1742 CD ARG A 108 13.269 3.364 3.291 1.00 73.22 C ATOM 1743 NE ARG A 108 11.935 3.920 3.564 1.00 22.30 N ATOM 1744 CZ ARG A 108 11.426 5.023 3.001 1.00 22.02 C ATOM 1745 NH1 ARG A 108 12.117 5.707 2.094 1.00 50.30 N ATOM 1746 NH2 ARG A 108 10.243 5.472 3.395 1.00 33.32 N ATOM 0 H ARG A 108 13.628 -0.382 2.069 1.00 64.23 H new ATOM 0 HA ARG A 108 15.932 -0.491 3.839 1.00 51.55 H new ATOM 0 HB2 ARG A 108 15.428 1.793 4.324 1.00 51.43 H new ATOM 0 HB3 ARG A 108 15.184 1.582 2.601 1.00 51.43 H new ATOM 0 HG2 ARG A 108 12.686 1.302 3.100 1.00 22.12 H new ATOM 0 HG3 ARG A 108 13.037 1.796 4.745 1.00 22.12 H new ATOM 0 HD2 ARG A 108 14.021 3.946 3.823 1.00 73.22 H new ATOM 0 HD3 ARG A 108 13.490 3.454 2.227 1.00 73.22 H new ATOM 0 HE ARG A 108 11.350 3.425 4.237 1.00 22.30 H new ATOM 0 HH11 ARG A 108 13.048 5.393 1.819 1.00 50.30 H new ATOM 0 HH12 ARG A 108 11.716 6.546 1.674 1.00 50.30 H new ATOM 0 HH21 ARG A 108 9.727 4.978 4.123 1.00 33.32 H new ATOM 0 HH22 ARG A 108 9.849 6.312 2.971 1.00 33.32 H new ATOM 1760 N LEU A 109 13.019 -1.362 4.939 1.00 53.21 N ATOM 1761 CA LEU A 109 12.355 -2.016 6.097 1.00 2.21 C ATOM 1762 C LEU A 109 13.179 -3.231 6.530 1.00 34.15 C ATOM 1763 O LEU A 109 13.419 -3.446 7.725 1.00 42.41 O ATOM 1764 CB LEU A 109 10.897 -2.430 5.746 1.00 63.34 C ATOM 1765 CG LEU A 109 10.120 -3.289 6.805 1.00 63.00 C ATOM 1766 CD1 LEU A 109 10.059 -2.616 8.198 1.00 24.03 C ATOM 1767 CD2 LEU A 109 8.710 -3.622 6.288 1.00 73.45 C ATOM 0 H LEU A 109 12.521 -1.479 4.057 1.00 53.21 H new ATOM 0 HA LEU A 109 12.300 -1.307 6.923 1.00 2.21 H new ATOM 0 HB2 LEU A 109 10.323 -1.522 5.561 1.00 63.34 H new ATOM 0 HB3 LEU A 109 10.920 -2.988 4.810 1.00 63.34 H new ATOM 0 HG LEU A 109 10.678 -4.216 6.940 1.00 63.00 H new ATOM 0 HD11 LEU A 109 9.510 -3.257 8.888 1.00 24.03 H new ATOM 0 HD12 LEU A 109 11.071 -2.463 8.573 1.00 24.03 H new ATOM 0 HD13 LEU A 109 9.553 -1.654 8.115 1.00 24.03 H new ATOM 0 HD21 LEU A 109 8.181 -4.218 7.032 1.00 73.45 H new ATOM 0 HD22 LEU A 109 8.161 -2.698 6.107 1.00 73.45 H new ATOM 0 HD23 LEU A 109 8.787 -4.186 5.359 1.00 73.45 H new ATOM 1779 N SER A 110 13.630 -3.994 5.528 1.00 70.41 N ATOM 1780 CA SER A 110 14.473 -5.169 5.734 1.00 42.33 C ATOM 1781 C SER A 110 15.897 -4.742 6.161 1.00 10.42 C ATOM 1782 O SER A 110 16.531 -5.420 6.980 1.00 53.01 O ATOM 1783 CB SER A 110 14.510 -5.997 4.430 1.00 43.50 C ATOM 1784 OG SER A 110 13.194 -6.301 3.973 1.00 20.52 O ATOM 0 H SER A 110 13.417 -3.810 4.548 1.00 70.41 H new ATOM 0 HA SER A 110 14.059 -5.783 6.533 1.00 42.33 H new ATOM 0 HB2 SER A 110 15.046 -5.443 3.660 1.00 43.50 H new ATOM 0 HB3 SER A 110 15.061 -6.922 4.599 1.00 43.50 H new ATOM 0 HG SER A 110 12.775 -5.489 3.619 1.00 20.52 H new ATOM 1790 N GLY A 111 16.391 -3.613 5.590 1.00 52.31 N ATOM 1791 CA GLY A 111 17.752 -3.140 5.879 1.00 35.34 C ATOM 1792 C GLY A 111 17.851 -2.163 7.055 1.00 62.11 C ATOM 1793 O GLY A 111 18.513 -2.463 8.054 1.00 65.22 O ATOM 0 H GLY A 111 15.869 -3.028 4.938 1.00 52.31 H new ATOM 0 HA2 GLY A 111 18.386 -4.002 6.086 1.00 35.34 H new ATOM 0 HA3 GLY A 111 18.152 -2.657 4.987 1.00 35.34 H new ATOM 1797 N MET A 112 17.185 -0.989 6.949 1.00 1.24 N ATOM 1798 CA MET A 112 17.344 0.099 7.951 1.00 42.40 C ATOM 1799 C MET A 112 16.299 0.024 9.098 1.00 21.53 C ATOM 1800 O MET A 112 16.655 -0.363 10.218 1.00 24.21 O ATOM 1801 CB MET A 112 17.237 1.474 7.219 1.00 12.11 C ATOM 1802 CG MET A 112 17.272 2.687 8.155 1.00 33.14 C ATOM 1803 SD MET A 112 18.721 2.701 9.225 1.00 3.54 S ATOM 1804 CE MET A 112 18.207 3.875 10.478 1.00 23.03 C ATOM 0 H MET A 112 16.539 -0.769 6.191 1.00 1.24 H new ATOM 0 HA MET A 112 18.322 -0.018 8.417 1.00 42.40 H new ATOM 0 HB2 MET A 112 18.055 1.557 6.504 1.00 12.11 H new ATOM 0 HB3 MET A 112 16.310 1.497 6.647 1.00 12.11 H new ATOM 0 HG2 MET A 112 17.257 3.600 7.560 1.00 33.14 H new ATOM 0 HG3 MET A 112 16.372 2.692 8.770 1.00 33.14 H new ATOM 0 HE1 MET A 112 19.001 3.991 11.215 1.00 23.03 H new ATOM 0 HE2 MET A 112 18.001 4.838 10.011 1.00 23.03 H new ATOM 0 HE3 MET A 112 17.306 3.510 10.970 1.00 23.03 H new ATOM 1814 N LEU A 113 15.006 0.311 8.768 1.00 54.15 N ATOM 1815 CA LEU A 113 13.868 0.323 9.735 1.00 64.35 C ATOM 1816 C LEU A 113 12.587 0.915 9.068 1.00 44.10 C ATOM 1817 O LEU A 113 11.697 1.417 9.762 1.00 3.11 O ATOM 1818 CB LEU A 113 14.227 1.160 11.022 1.00 0.44 C ATOM 1819 CG LEU A 113 13.293 0.960 12.262 1.00 41.02 C ATOM 1820 CD1 LEU A 113 13.281 -0.514 12.715 1.00 41.50 C ATOM 1821 CD2 LEU A 113 13.669 1.919 13.411 1.00 70.34 C ATOM 0 H LEU A 113 14.723 0.542 7.816 1.00 54.15 H new ATOM 0 HA LEU A 113 13.675 -0.708 10.031 1.00 64.35 H new ATOM 0 HB2 LEU A 113 15.246 0.912 11.318 1.00 0.44 H new ATOM 0 HB3 LEU A 113 14.220 2.217 10.756 1.00 0.44 H new ATOM 0 HG LEU A 113 12.276 1.212 11.961 1.00 41.02 H new ATOM 0 HD11 LEU A 113 12.624 -0.624 13.578 1.00 41.50 H new ATOM 0 HD12 LEU A 113 12.919 -1.142 11.901 1.00 41.50 H new ATOM 0 HD13 LEU A 113 14.291 -0.819 12.987 1.00 41.50 H new ATOM 0 HD21 LEU A 113 13.001 1.754 14.256 1.00 70.34 H new ATOM 0 HD22 LEU A 113 14.698 1.732 13.719 1.00 70.34 H new ATOM 0 HD23 LEU A 113 13.575 2.950 13.070 1.00 70.34 H new ATOM 1833 N LEU A 114 12.530 0.885 7.715 1.00 52.12 N ATOM 1834 CA LEU A 114 11.428 1.481 6.892 1.00 65.22 C ATOM 1835 C LEU A 114 11.495 3.031 6.880 1.00 23.13 C ATOM 1836 O LEU A 114 10.754 3.688 6.140 1.00 33.44 O ATOM 1837 CB LEU A 114 10.038 0.929 7.342 1.00 11.44 C ATOM 1838 CG LEU A 114 8.768 1.327 6.529 1.00 12.50 C ATOM 1839 CD1 LEU A 114 8.878 0.939 5.052 1.00 74.05 C ATOM 1840 CD2 LEU A 114 7.512 0.708 7.162 1.00 20.31 C ATOM 0 H LEU A 114 13.254 0.442 7.148 1.00 52.12 H new ATOM 0 HA LEU A 114 11.567 1.171 5.856 1.00 65.22 H new ATOM 0 HB2 LEU A 114 10.101 -0.159 7.343 1.00 11.44 H new ATOM 0 HB3 LEU A 114 9.879 1.240 8.374 1.00 11.44 H new ATOM 0 HG LEU A 114 8.686 2.413 6.566 1.00 12.50 H new ATOM 0 HD11 LEU A 114 7.969 1.237 4.529 1.00 74.05 H new ATOM 0 HD12 LEU A 114 9.735 1.443 4.606 1.00 74.05 H new ATOM 0 HD13 LEU A 114 9.008 -0.140 4.968 1.00 74.05 H new ATOM 0 HD21 LEU A 114 6.634 0.995 6.583 1.00 20.31 H new ATOM 0 HD22 LEU A 114 7.605 -0.378 7.167 1.00 20.31 H new ATOM 0 HD23 LEU A 114 7.405 1.068 8.185 1.00 20.31 H new