USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 958 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 170:sc= 0 (180deg=-0.107) USER MOD Single : A 2 SER OG : rot 131:sc= -0.462 USER MOD Single : A 3 GLN : amide:sc= -1.12 K(o=-1.1,f=-0.091) USER MOD Single : A 4 ASN : amide:sc= -0.876 K(o=-0.88,f=-3.3!) USER MOD Single : A 6 GLN : amide:sc= -2.44 K(o=-2.4,f=-4.9!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 157:sc= -3.5! (180deg=-4.29) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -77:sc= 0.583 USER MOD Single : A 25 GLN : amide:sc= -0.0124 X(o=-0.012,f=-0.055) USER MOD Single : A 27 ASN : amide:sc= -0.186 X(o=-0.19,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= -0.244 USER MOD Single : A 32 GLN : amide:sc= -2.97 K(o=-3,f=-1.1) USER MOD Single : A 37 GLN : amide:sc=-0.00656 K(o=-0.0066,f=-1.1) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 22:sc= 0.00894 USER MOD Single : A 46 THR OG1 : rot -76:sc= 0.986 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.663 K(o=-0.66,f=-0.15) USER MOD Single : A 53 CYS SG : rot 180:sc= -0.685 USER MOD Single : A 57 THR OG1 : rot 161:sc= -0.276 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.0292 X(o=-0.029,f=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -77:sc= 1.01 USER MOD Single : A 77 LYS NZ :NH3+ -169:sc= -1.19 (180deg=-1.34) USER MOD Single : A 83 MET CE :methyl -170:sc= -3.06! (180deg=-3.48!) USER MOD Single : A 85 ASN : amide:sc= -1.29 K(o=-1.3,f=-2.7!) USER MOD Single : A 86 ASN : amide:sc= -2.1 K(o=-2.1,f=-5.6!) USER MOD Single : A 87 CYS SG : rot 82:sc=-0.00901 USER MOD Single : A 91 ASN : amide:sc= -0.141 X(o=-0.14,f=-0.047) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot 64:sc= 0.376 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 GLN : amide:sc= -0.279 K(o=-0.28,f=-0.97) USER MOD Single : A 119 LYS NZ :NH3+ 151:sc= -0.0335 (180deg=-0.414) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.974 -0.358 -1.298 1.00 15.22 N ATOM 2 CA MET A 1 0.620 0.204 0.001 1.00 65.21 C ATOM 3 C MET A 1 1.798 0.964 0.603 1.00 62.50 C ATOM 4 O MET A 1 2.047 0.890 1.806 1.00 34.33 O ATOM 5 CB MET A 1 0.172 -0.905 0.955 1.00 3.11 C ATOM 6 CG MET A 1 -0.835 -0.441 1.995 1.00 22.31 C ATOM 7 SD MET A 1 -1.277 -1.743 3.162 1.00 52.30 S ATOM 8 CE MET A 1 -3.064 -1.708 3.046 1.00 32.20 C ATOM 0 H1 MET A 1 0.224 -1.007 -1.611 1.00 15.22 H new ATOM 0 H2 MET A 1 1.079 0.410 -1.992 1.00 15.22 H new ATOM 0 H3 MET A 1 1.871 -0.878 -1.219 1.00 15.22 H new ATOM 0 HA MET A 1 -0.204 0.902 -0.145 1.00 65.21 H new ATOM 0 HB2 MET A 1 -0.265 -1.718 0.375 1.00 3.11 H new ATOM 0 HB3 MET A 1 1.046 -1.311 1.463 1.00 3.11 H new ATOM 0 HG2 MET A 1 -0.423 0.407 2.542 1.00 22.31 H new ATOM 0 HG3 MET A 1 -1.735 -0.088 1.492 1.00 22.31 H new ATOM 0 HE1 MET A 1 -3.487 -2.460 3.712 1.00 32.20 H new ATOM 0 HE2 MET A 1 -3.428 -0.722 3.334 1.00 32.20 H new ATOM 0 HE3 MET A 1 -3.366 -1.921 2.021 1.00 32.20 H new ATOM 18 N SER A 2 2.520 1.693 -0.242 1.00 23.14 N ATOM 19 CA SER A 2 3.675 2.463 0.207 1.00 34.21 C ATOM 20 C SER A 2 3.261 3.515 1.232 1.00 71.33 C ATOM 21 O SER A 2 2.133 3.506 1.724 1.00 1.03 O ATOM 22 CB SER A 2 4.359 3.136 -0.984 1.00 3.11 C ATOM 23 OG SER A 2 4.013 2.497 -2.200 1.00 35.41 O ATOM 0 H SER A 2 2.326 1.767 -1.241 1.00 23.14 H new ATOM 0 HA SER A 2 4.377 1.777 0.680 1.00 34.21 H new ATOM 0 HB2 SER A 2 4.071 4.186 -1.027 1.00 3.11 H new ATOM 0 HB3 SER A 2 5.440 3.108 -0.850 1.00 3.11 H new ATOM 0 HG SER A 2 3.734 3.170 -2.856 1.00 35.41 H new ATOM 29 N GLN A 3 4.182 4.419 1.547 1.00 4.11 N ATOM 30 CA GLN A 3 3.914 5.477 2.514 1.00 41.44 C ATOM 31 C GLN A 3 4.387 6.828 1.987 1.00 54.34 C ATOM 32 O GLN A 3 5.578 7.034 1.758 1.00 73.00 O ATOM 33 CB GLN A 3 4.601 5.167 3.845 1.00 52.42 C ATOM 34 CG GLN A 3 3.720 5.422 5.057 1.00 3.45 C ATOM 35 CD GLN A 3 4.438 6.193 6.148 1.00 30.21 C ATOM 36 OE1 GLN A 3 4.741 5.650 7.211 1.00 11.01 O ATOM 37 NE2 GLN A 3 4.714 7.466 5.890 1.00 24.23 N ATOM 0 H GLN A 3 5.120 4.440 1.147 1.00 4.11 H new ATOM 0 HA GLN A 3 2.837 5.526 2.672 1.00 41.44 H new ATOM 0 HB2 GLN A 3 4.916 4.123 3.848 1.00 52.42 H new ATOM 0 HB3 GLN A 3 5.504 5.772 3.928 1.00 52.42 H new ATOM 0 HG2 GLN A 3 2.834 5.977 4.748 1.00 3.45 H new ATOM 0 HG3 GLN A 3 3.375 4.469 5.458 1.00 3.45 H new ATOM 0 HE21 GLN A 3 4.444 7.875 4.995 1.00 24.23 H new ATOM 0 HE22 GLN A 3 5.196 8.035 6.586 1.00 24.23 H new ATOM 46 N ASN A 4 3.444 7.746 1.796 1.00 43.01 N ATOM 47 CA ASN A 4 3.764 9.078 1.295 1.00 65.43 C ATOM 48 C ASN A 4 4.502 9.894 2.352 1.00 65.34 C ATOM 49 O ASN A 4 3.898 10.693 3.067 1.00 44.44 O ATOM 50 CB ASN A 4 2.488 9.807 0.871 1.00 33.51 C ATOM 51 CG ASN A 4 1.388 9.697 1.909 1.00 32.24 C ATOM 52 OD1 ASN A 4 1.647 9.395 3.074 1.00 34.15 O ATOM 53 ND2 ASN A 4 0.152 9.942 1.490 1.00 51.10 N ATOM 0 H ASN A 4 2.453 7.592 1.981 1.00 43.01 H new ATOM 0 HA ASN A 4 4.415 8.966 0.428 1.00 65.43 H new ATOM 0 HB2 ASN A 4 2.715 10.859 0.696 1.00 33.51 H new ATOM 0 HB3 ASN A 4 2.134 9.395 -0.074 1.00 33.51 H new ATOM 0 HD21 ASN A 4 -0.629 9.883 2.143 1.00 51.10 H new ATOM 0 HD22 ASN A 4 -0.016 10.189 0.515 1.00 51.10 H new ATOM 60 N ARG A 5 5.812 9.686 2.444 1.00 50.33 N ATOM 61 CA ARG A 5 6.633 10.402 3.413 1.00 35.02 C ATOM 62 C ARG A 5 8.117 10.196 3.127 1.00 60.34 C ATOM 63 O ARG A 5 8.787 11.087 2.606 1.00 64.42 O ATOM 64 CB ARG A 5 6.307 9.935 4.833 1.00 75.31 C ATOM 65 CG ARG A 5 7.099 10.658 5.909 1.00 23.13 C ATOM 66 CD ARG A 5 7.075 9.896 7.225 1.00 2.43 C ATOM 67 NE ARG A 5 6.061 10.415 8.139 1.00 75.50 N ATOM 68 CZ ARG A 5 6.232 11.496 8.890 1.00 12.44 C ATOM 69 NH1 ARG A 5 7.372 12.171 8.837 1.00 51.22 N ATOM 70 NH2 ARG A 5 5.261 11.906 9.697 1.00 22.34 N ATOM 0 H ARG A 5 6.327 9.028 1.859 1.00 50.33 H new ATOM 0 HA ARG A 5 6.408 11.465 3.326 1.00 35.02 H new ATOM 0 HB2 ARG A 5 5.243 10.080 5.018 1.00 75.31 H new ATOM 0 HB3 ARG A 5 6.501 8.865 4.908 1.00 75.31 H new ATOM 0 HG2 ARG A 5 8.130 10.785 5.580 1.00 23.13 H new ATOM 0 HG3 ARG A 5 6.686 11.656 6.057 1.00 23.13 H new ATOM 0 HD2 ARG A 5 6.881 8.841 7.030 1.00 2.43 H new ATOM 0 HD3 ARG A 5 8.055 9.958 7.698 1.00 2.43 H new ATOM 0 HE ARG A 5 5.172 9.919 8.204 1.00 75.50 H new ATOM 0 HH11 ARG A 5 8.121 11.860 8.218 1.00 51.22 H new ATOM 0 HH12 ARG A 5 7.500 13.001 9.415 1.00 51.22 H new ATOM 0 HH21 ARG A 5 4.382 11.390 9.741 1.00 22.34 H new ATOM 0 HH22 ARG A 5 5.394 12.737 10.274 1.00 22.34 H new ATOM 84 N GLN A 6 8.622 9.016 3.471 1.00 65.30 N ATOM 85 CA GLN A 6 10.028 8.694 3.252 1.00 74.34 C ATOM 86 C GLN A 6 10.178 7.310 2.627 1.00 0.35 C ATOM 87 O GLN A 6 9.314 6.447 2.790 1.00 43.14 O ATOM 88 CB GLN A 6 10.799 8.758 4.571 1.00 63.32 C ATOM 89 CG GLN A 6 10.832 7.436 5.321 1.00 13.24 C ATOM 90 CD GLN A 6 9.445 6.903 5.624 1.00 63.31 C ATOM 91 OE1 GLN A 6 8.562 7.645 6.055 1.00 64.10 O ATOM 92 NE2 GLN A 6 9.246 5.609 5.399 1.00 4.21 N ATOM 0 H GLN A 6 8.080 8.267 3.902 1.00 65.30 H new ATOM 0 HA GLN A 6 10.441 9.431 2.563 1.00 74.34 H new ATOM 0 HB2 GLN A 6 11.821 9.078 4.369 1.00 63.32 H new ATOM 0 HB3 GLN A 6 10.348 9.517 5.210 1.00 63.32 H new ATOM 0 HG2 GLN A 6 11.379 6.701 4.730 1.00 13.24 H new ATOM 0 HG3 GLN A 6 11.379 7.566 6.255 1.00 13.24 H new ATOM 0 HE21 GLN A 6 10.006 5.031 5.041 1.00 4.21 H new ATOM 0 HE22 GLN A 6 8.333 5.194 5.584 1.00 4.21 H new ATOM 101 N LEU A 7 11.279 7.106 1.913 1.00 22.32 N ATOM 102 CA LEU A 7 11.543 5.826 1.264 1.00 42.33 C ATOM 103 C LEU A 7 12.717 5.112 1.925 1.00 23.22 C ATOM 104 O LEU A 7 13.817 5.659 2.022 1.00 55.33 O ATOM 105 CB LEU A 7 11.832 6.037 -0.224 1.00 0.14 C ATOM 106 CG LEU A 7 10.660 5.796 -1.176 1.00 1.03 C ATOM 107 CD1 LEU A 7 10.523 4.314 -1.489 1.00 42.23 C ATOM 108 CD2 LEU A 7 9.369 6.339 -0.580 1.00 70.54 C ATOM 0 H LEU A 7 12.003 7.810 1.769 1.00 22.32 H new ATOM 0 HA LEU A 7 10.656 5.202 1.371 1.00 42.33 H new ATOM 0 HB2 LEU A 7 12.183 7.059 -0.364 1.00 0.14 H new ATOM 0 HB3 LEU A 7 12.650 5.376 -0.512 1.00 0.14 H new ATOM 0 HG LEU A 7 10.858 6.326 -2.108 1.00 1.03 H new ATOM 0 HD11 LEU A 7 9.684 4.162 -2.168 1.00 42.23 H new ATOM 0 HD12 LEU A 7 11.439 3.955 -1.958 1.00 42.23 H new ATOM 0 HD13 LEU A 7 10.348 3.762 -0.566 1.00 42.23 H new ATOM 0 HD21 LEU A 7 8.545 6.159 -1.271 1.00 70.54 H new ATOM 0 HD22 LEU A 7 9.166 5.837 0.366 1.00 70.54 H new ATOM 0 HD23 LEU A 7 9.470 7.411 -0.408 1.00 70.54 H new ATOM 120 N LEU A 8 12.478 3.886 2.377 1.00 22.14 N ATOM 121 CA LEU A 8 13.517 3.094 3.028 1.00 14.30 C ATOM 122 C LEU A 8 14.778 3.042 2.172 1.00 1.33 C ATOM 123 O LEU A 8 15.816 3.590 2.545 1.00 41.05 O ATOM 124 CB LEU A 8 13.011 1.676 3.298 1.00 54.23 C ATOM 125 CG LEU A 8 13.736 0.903 4.399 1.00 22.32 C ATOM 126 CD1 LEU A 8 12.956 -0.347 4.777 1.00 41.04 C ATOM 127 CD2 LEU A 8 15.146 0.540 3.956 1.00 1.12 C ATOM 0 H LEU A 8 11.574 3.418 2.305 1.00 22.14 H new ATOM 0 HA LEU A 8 13.763 3.572 3.976 1.00 14.30 H new ATOM 0 HB2 LEU A 8 11.954 1.732 3.557 1.00 54.23 H new ATOM 0 HB3 LEU A 8 13.082 1.104 2.373 1.00 54.23 H new ATOM 0 HG LEU A 8 13.806 1.542 5.279 1.00 22.32 H new ATOM 0 HD11 LEU A 8 13.488 -0.884 5.562 1.00 41.04 H new ATOM 0 HD12 LEU A 8 11.967 -0.064 5.137 1.00 41.04 H new ATOM 0 HD13 LEU A 8 12.853 -0.990 3.903 1.00 41.04 H new ATOM 0 HD21 LEU A 8 15.647 -0.010 4.752 1.00 1.12 H new ATOM 0 HD22 LEU A 8 15.098 -0.081 3.061 1.00 1.12 H new ATOM 0 HD23 LEU A 8 15.704 1.450 3.737 1.00 1.12 H new ATOM 139 N TYR A 9 14.681 2.382 1.024 1.00 54.33 N ATOM 140 CA TYR A 9 15.814 2.259 0.115 1.00 72.44 C ATOM 141 C TYR A 9 15.416 1.510 -1.154 1.00 14.51 C ATOM 142 O TYR A 9 15.716 0.329 -1.329 1.00 41.54 O ATOM 143 CB TYR A 9 16.971 1.535 0.805 1.00 44.04 C ATOM 144 CG TYR A 9 18.104 2.452 1.209 1.00 72.13 C ATOM 145 CD1 TYR A 9 18.710 3.289 0.281 1.00 43.54 C ATOM 146 CD2 TYR A 9 18.568 2.480 2.518 1.00 52.10 C ATOM 147 CE1 TYR A 9 19.746 4.128 0.645 1.00 53.41 C ATOM 148 CE2 TYR A 9 19.602 3.317 2.892 1.00 75.24 C ATOM 149 CZ TYR A 9 20.187 4.139 1.952 1.00 63.24 C ATOM 150 OH TYR A 9 21.218 4.973 2.319 1.00 23.35 O ATOM 0 H TYR A 9 13.829 1.924 0.700 1.00 54.33 H new ATOM 0 HA TYR A 9 16.135 3.263 -0.163 1.00 72.44 H new ATOM 0 HB2 TYR A 9 16.593 1.026 1.692 1.00 44.04 H new ATOM 0 HB3 TYR A 9 17.358 0.766 0.136 1.00 44.04 H new ATOM 0 HD1 TYR A 9 18.366 3.284 -0.743 1.00 43.54 H new ATOM 0 HD2 TYR A 9 18.113 1.836 3.256 1.00 52.10 H new ATOM 0 HE1 TYR A 9 20.208 4.771 -0.089 1.00 53.41 H new ATOM 0 HE2 TYR A 9 19.950 3.327 3.914 1.00 75.24 H new ATOM 0 HH TYR A 9 21.406 4.860 3.274 1.00 23.35 H new ATOM 160 N PRO A 10 14.722 2.214 -2.062 1.00 4.05 N ATOM 161 CA PRO A 10 14.268 1.638 -3.331 1.00 4.41 C ATOM 162 C PRO A 10 15.423 1.358 -4.286 1.00 62.22 C ATOM 163 O PRO A 10 16.147 2.270 -4.685 1.00 2.32 O ATOM 164 CB PRO A 10 13.352 2.722 -3.904 1.00 14.10 C ATOM 165 CG PRO A 10 13.836 3.991 -3.291 1.00 71.24 C ATOM 166 CD PRO A 10 14.329 3.626 -1.919 1.00 22.14 C ATOM 0 HA PRO A 10 13.776 0.676 -3.189 1.00 4.41 H new ATOM 0 HB2 PRO A 10 13.415 2.759 -4.992 1.00 14.10 H new ATOM 0 HB3 PRO A 10 12.309 2.533 -3.651 1.00 14.10 H new ATOM 0 HG2 PRO A 10 14.634 4.433 -3.888 1.00 71.24 H new ATOM 0 HG3 PRO A 10 13.035 4.728 -3.235 1.00 71.24 H new ATOM 0 HD2 PRO A 10 15.171 4.249 -1.616 1.00 22.14 H new ATOM 0 HD3 PRO A 10 13.551 3.752 -1.166 1.00 22.14 H new ATOM 174 N ARG A 11 15.590 0.090 -4.650 1.00 55.40 N ATOM 175 CA ARG A 11 16.657 -0.310 -5.558 1.00 44.14 C ATOM 176 C ARG A 11 16.635 -1.817 -5.793 1.00 71.50 C ATOM 177 O ARG A 11 16.960 -2.290 -6.881 1.00 63.24 O ATOM 178 CB ARG A 11 18.017 0.109 -4.997 1.00 43.41 C ATOM 179 CG ARG A 11 18.133 -0.059 -3.491 1.00 15.42 C ATOM 180 CD ARG A 11 19.477 -0.651 -3.098 1.00 33.14 C ATOM 181 NE ARG A 11 19.362 -1.564 -1.964 1.00 33.14 N ATOM 182 CZ ARG A 11 20.388 -1.916 -1.197 1.00 35.14 C ATOM 183 NH1 ARG A 11 21.598 -1.434 -1.441 1.00 2.24 N ATOM 184 NH2 ARG A 11 20.203 -2.752 -0.183 1.00 23.03 N ATOM 0 H ARG A 11 14.999 -0.677 -4.329 1.00 55.40 H new ATOM 0 HA ARG A 11 16.495 0.192 -6.512 1.00 44.14 H new ATOM 0 HB2 ARG A 11 18.797 -0.479 -5.481 1.00 43.41 H new ATOM 0 HB3 ARG A 11 18.200 1.153 -5.253 1.00 43.41 H new ATOM 0 HG2 ARG A 11 18.004 0.908 -3.005 1.00 15.42 H new ATOM 0 HG3 ARG A 11 17.331 -0.705 -3.133 1.00 15.42 H new ATOM 0 HD2 ARG A 11 19.902 -1.182 -3.950 1.00 33.14 H new ATOM 0 HD3 ARG A 11 20.168 0.154 -2.847 1.00 33.14 H new ATOM 0 HE ARG A 11 18.444 -1.953 -1.749 1.00 33.14 H new ATOM 0 HH11 ARG A 11 21.743 -0.791 -2.219 1.00 2.24 H new ATOM 0 HH12 ARG A 11 22.384 -1.706 -0.850 1.00 2.24 H new ATOM 0 HH21 ARG A 11 19.273 -3.125 0.008 1.00 23.03 H new ATOM 0 HH22 ARG A 11 20.991 -3.022 0.406 1.00 23.03 H new ATOM 198 N GLU A 12 16.249 -2.566 -4.764 1.00 40.32 N ATOM 199 CA GLU A 12 16.186 -4.019 -4.859 1.00 72.50 C ATOM 200 C GLU A 12 15.358 -4.450 -6.066 1.00 62.55 C ATOM 201 O GLU A 12 15.601 -5.504 -6.653 1.00 71.52 O ATOM 202 CB GLU A 12 15.589 -4.611 -3.580 1.00 53.33 C ATOM 203 CG GLU A 12 16.187 -5.953 -3.193 1.00 40.40 C ATOM 204 CD GLU A 12 15.299 -7.120 -3.576 1.00 74.05 C ATOM 205 OE1 GLU A 12 14.456 -6.951 -4.482 1.00 53.35 O ATOM 206 OE2 GLU A 12 15.446 -8.202 -2.971 1.00 74.11 O ATOM 0 H GLU A 12 15.976 -2.190 -3.856 1.00 40.32 H new ATOM 0 HA GLU A 12 17.202 -4.393 -4.984 1.00 72.50 H new ATOM 0 HB2 GLU A 12 15.737 -3.907 -2.761 1.00 53.33 H new ATOM 0 HB3 GLU A 12 14.513 -4.727 -3.711 1.00 53.33 H new ATOM 0 HG2 GLU A 12 17.158 -6.067 -3.675 1.00 40.40 H new ATOM 0 HG3 GLU A 12 16.362 -5.972 -2.117 1.00 40.40 H new ATOM 213 N GLU A 13 14.380 -3.627 -6.430 1.00 70.14 N ATOM 214 CA GLU A 13 13.516 -3.924 -7.567 1.00 34.03 C ATOM 215 C GLU A 13 14.118 -3.389 -8.863 1.00 30.32 C ATOM 216 O GLU A 13 13.933 -3.970 -9.932 1.00 32.54 O ATOM 217 CB GLU A 13 12.126 -3.321 -7.350 1.00 42.12 C ATOM 218 CG GLU A 13 12.133 -1.807 -7.220 1.00 23.11 C ATOM 219 CD GLU A 13 11.673 -1.110 -8.486 1.00 32.44 C ATOM 220 OE1 GLU A 13 12.249 -1.386 -9.558 1.00 44.34 O ATOM 221 OE2 GLU A 13 10.735 -0.290 -8.403 1.00 0.34 O ATOM 0 H GLU A 13 14.166 -2.750 -5.955 1.00 70.14 H new ATOM 0 HA GLU A 13 13.426 -5.007 -7.649 1.00 34.03 H new ATOM 0 HB2 GLU A 13 11.483 -3.603 -8.184 1.00 42.12 H new ATOM 0 HB3 GLU A 13 11.688 -3.753 -6.450 1.00 42.12 H new ATOM 0 HG2 GLU A 13 11.486 -1.514 -6.393 1.00 23.11 H new ATOM 0 HG3 GLU A 13 13.140 -1.472 -6.971 1.00 23.11 H new ATOM 228 N MET A 14 14.839 -2.278 -8.759 1.00 0.32 N ATOM 229 CA MET A 14 15.469 -1.664 -9.922 1.00 62.52 C ATOM 230 C MET A 14 16.263 -2.696 -10.717 1.00 44.02 C ATOM 231 O MET A 14 16.118 -2.802 -11.935 1.00 44.31 O ATOM 232 CB MET A 14 16.388 -0.521 -9.488 1.00 13.33 C ATOM 233 CG MET A 14 17.294 -0.014 -10.598 1.00 10.11 C ATOM 234 SD MET A 14 18.932 -0.766 -10.555 1.00 2.11 S ATOM 235 CE MET A 14 19.040 -1.438 -12.212 1.00 0.33 C ATOM 0 H MET A 14 15.002 -1.784 -7.881 1.00 0.32 H new ATOM 0 HA MET A 14 14.682 -1.264 -10.562 1.00 62.52 H new ATOM 0 HB2 MET A 14 15.778 0.305 -9.122 1.00 13.33 H new ATOM 0 HB3 MET A 14 17.003 -0.857 -8.653 1.00 13.33 H new ATOM 0 HG2 MET A 14 16.830 -0.219 -11.563 1.00 10.11 H new ATOM 0 HG3 MET A 14 17.393 1.068 -10.515 1.00 10.11 H new ATOM 0 HE1 MET A 14 20.087 -1.564 -12.486 1.00 0.33 H new ATOM 0 HE2 MET A 14 18.537 -2.405 -12.246 1.00 0.33 H new ATOM 0 HE3 MET A 14 18.561 -0.755 -12.914 1.00 0.33 H new ATOM 245 N VAL A 15 17.104 -3.455 -10.020 1.00 55.14 N ATOM 246 CA VAL A 15 17.920 -4.479 -10.661 1.00 41.45 C ATOM 247 C VAL A 15 17.053 -5.593 -11.236 1.00 21.44 C ATOM 248 O VAL A 15 17.410 -6.220 -12.234 1.00 15.54 O ATOM 249 CB VAL A 15 18.933 -5.088 -9.674 1.00 43.13 C ATOM 250 CG1 VAL A 15 19.879 -4.017 -9.151 1.00 33.54 C ATOM 251 CG2 VAL A 15 18.210 -5.779 -8.528 1.00 63.33 C ATOM 0 H VAL A 15 17.238 -3.380 -9.012 1.00 55.14 H new ATOM 0 HA VAL A 15 18.462 -3.991 -11.471 1.00 41.45 H new ATOM 0 HB VAL A 15 19.525 -5.835 -10.202 1.00 43.13 H new ATOM 0 HG11 VAL A 15 20.588 -4.466 -8.455 1.00 33.54 H new ATOM 0 HG12 VAL A 15 20.422 -3.572 -9.985 1.00 33.54 H new ATOM 0 HG13 VAL A 15 19.306 -3.245 -8.638 1.00 33.54 H new ATOM 0 HG21 VAL A 15 18.941 -6.204 -7.840 1.00 63.33 H new ATOM 0 HG22 VAL A 15 17.591 -5.054 -7.998 1.00 63.33 H new ATOM 0 HG23 VAL A 15 17.579 -6.575 -8.923 1.00 63.33 H new ATOM 261 N SER A 16 15.912 -5.836 -10.598 1.00 41.14 N ATOM 262 CA SER A 16 14.994 -6.878 -11.044 1.00 24.03 C ATOM 263 C SER A 16 14.663 -6.714 -12.524 1.00 14.43 C ATOM 264 O SER A 16 14.777 -7.658 -13.306 1.00 54.13 O ATOM 265 CB SER A 16 13.709 -6.844 -10.214 1.00 43.13 C ATOM 266 OG SER A 16 13.059 -8.103 -10.230 1.00 14.40 O ATOM 0 H SER A 16 15.601 -5.326 -9.771 1.00 41.14 H new ATOM 0 HA SER A 16 15.482 -7.842 -10.905 1.00 24.03 H new ATOM 0 HB2 SER A 16 13.943 -6.565 -9.187 1.00 43.13 H new ATOM 0 HB3 SER A 16 13.038 -6.080 -10.607 1.00 43.13 H new ATOM 0 HG SER A 16 12.242 -8.056 -9.691 1.00 14.40 H new ATOM 272 N LEU A 17 14.251 -5.508 -12.901 1.00 23.03 N ATOM 273 CA LEU A 17 13.902 -5.218 -14.287 1.00 42.40 C ATOM 274 C LEU A 17 15.084 -5.486 -15.214 1.00 13.13 C ATOM 275 O LEU A 17 14.980 -6.268 -16.159 1.00 11.11 O ATOM 276 CB LEU A 17 13.451 -3.763 -14.426 1.00 14.32 C ATOM 277 CG LEU A 17 12.275 -3.338 -13.545 1.00 5.33 C ATOM 278 CD1 LEU A 17 11.379 -4.528 -13.241 1.00 15.43 C ATOM 279 CD2 LEU A 17 12.777 -2.703 -12.256 1.00 4.10 C ATOM 0 H LEU A 17 14.151 -4.716 -12.266 1.00 23.03 H new ATOM 0 HA LEU A 17 13.082 -5.876 -14.574 1.00 42.40 H new ATOM 0 HB2 LEU A 17 14.300 -3.117 -14.201 1.00 14.32 H new ATOM 0 HB3 LEU A 17 13.182 -3.585 -15.467 1.00 14.32 H new ATOM 0 HG LEU A 17 11.688 -2.597 -14.088 1.00 5.33 H new ATOM 0 HD11 LEU A 17 10.548 -4.207 -12.613 1.00 15.43 H new ATOM 0 HD12 LEU A 17 10.992 -4.939 -14.173 1.00 15.43 H new ATOM 0 HD13 LEU A 17 11.954 -5.292 -12.718 1.00 15.43 H new ATOM 0 HD21 LEU A 17 11.927 -2.407 -11.641 1.00 4.10 H new ATOM 0 HD22 LEU A 17 13.387 -3.422 -11.709 1.00 4.10 H new ATOM 0 HD23 LEU A 17 13.377 -1.825 -12.493 1.00 4.10 H new ATOM 291 N VAL A 18 16.208 -4.833 -14.935 1.00 72.32 N ATOM 292 CA VAL A 18 17.411 -5.004 -15.742 1.00 15.35 C ATOM 293 C VAL A 18 17.743 -6.480 -15.927 1.00 42.11 C ATOM 294 O VAL A 18 18.049 -6.923 -17.034 1.00 61.31 O ATOM 295 CB VAL A 18 18.619 -4.293 -15.104 1.00 40.30 C ATOM 296 CG1 VAL A 18 19.919 -4.939 -15.558 1.00 2.32 C ATOM 297 CG2 VAL A 18 18.604 -2.810 -15.443 1.00 40.13 C ATOM 0 H VAL A 18 16.311 -4.181 -14.157 1.00 72.32 H new ATOM 0 HA VAL A 18 17.207 -4.556 -16.715 1.00 15.35 H new ATOM 0 HB VAL A 18 18.549 -4.395 -14.021 1.00 40.30 H new ATOM 0 HG11 VAL A 18 20.762 -4.424 -15.097 1.00 2.32 H new ATOM 0 HG12 VAL A 18 19.928 -5.987 -15.260 1.00 2.32 H new ATOM 0 HG13 VAL A 18 20.000 -4.870 -16.643 1.00 2.32 H new ATOM 0 HG21 VAL A 18 19.465 -2.323 -14.984 1.00 40.13 H new ATOM 0 HG22 VAL A 18 18.650 -2.684 -16.525 1.00 40.13 H new ATOM 0 HG23 VAL A 18 17.687 -2.359 -15.063 1.00 40.13 H new ATOM 307 N ARG A 19 17.681 -7.237 -14.836 1.00 53.53 N ATOM 308 CA ARG A 19 17.976 -8.664 -14.879 1.00 0.45 C ATOM 309 C ARG A 19 17.030 -9.387 -15.833 1.00 11.43 C ATOM 310 O ARG A 19 17.392 -10.399 -16.433 1.00 15.40 O ATOM 311 CB ARG A 19 17.867 -9.270 -13.478 1.00 62.23 C ATOM 312 CG ARG A 19 18.873 -8.704 -12.490 1.00 24.44 C ATOM 313 CD ARG A 19 19.914 -9.742 -12.099 1.00 4.20 C ATOM 314 NE ARG A 19 19.309 -10.920 -11.485 1.00 20.35 N ATOM 315 CZ ARG A 19 20.011 -11.935 -10.993 1.00 70.42 C ATOM 316 NH1 ARG A 19 21.336 -11.916 -11.044 1.00 13.42 N ATOM 317 NH2 ARG A 19 19.388 -12.973 -10.449 1.00 53.13 N ATOM 0 H ARG A 19 17.429 -6.886 -13.912 1.00 53.53 H new ATOM 0 HA ARG A 19 18.996 -8.788 -15.244 1.00 0.45 H new ATOM 0 HB2 ARG A 19 16.860 -9.101 -13.096 1.00 62.23 H new ATOM 0 HB3 ARG A 19 18.005 -10.349 -13.546 1.00 62.23 H new ATOM 0 HG2 ARG A 19 19.368 -7.838 -12.929 1.00 24.44 H new ATOM 0 HG3 ARG A 19 18.352 -8.355 -11.598 1.00 24.44 H new ATOM 0 HD2 ARG A 19 20.476 -10.043 -12.983 1.00 4.20 H new ATOM 0 HD3 ARG A 19 20.627 -9.297 -11.405 1.00 4.20 H new ATOM 0 HE ARG A 19 18.292 -10.966 -11.431 1.00 20.35 H new ATOM 0 HH11 ARG A 19 21.819 -11.121 -11.462 1.00 13.42 H new ATOM 0 HH12 ARG A 19 21.872 -12.697 -10.665 1.00 13.42 H new ATOM 0 HH21 ARG A 19 18.369 -12.992 -10.408 1.00 53.13 H new ATOM 0 HH22 ARG A 19 19.928 -13.752 -10.072 1.00 53.13 H new ATOM 331 N SER A 20 15.817 -8.860 -15.967 1.00 32.32 N ATOM 332 CA SER A 20 14.817 -9.458 -16.844 1.00 41.33 C ATOM 333 C SER A 20 15.231 -9.328 -18.307 1.00 40.10 C ATOM 334 O SER A 20 15.000 -10.231 -19.112 1.00 50.24 O ATOM 335 CB SER A 20 13.456 -8.795 -16.627 1.00 55.41 C ATOM 336 OG SER A 20 13.188 -7.836 -17.636 1.00 62.32 O ATOM 0 H SER A 20 15.503 -8.021 -15.480 1.00 32.32 H new ATOM 0 HA SER A 20 14.740 -10.517 -16.598 1.00 41.33 H new ATOM 0 HB2 SER A 20 12.674 -9.555 -16.626 1.00 55.41 H new ATOM 0 HB3 SER A 20 13.434 -8.314 -15.649 1.00 55.41 H new ATOM 0 HG SER A 20 13.699 -7.020 -17.456 1.00 62.32 H new ATOM 342 N LEU A 21 15.844 -8.199 -18.644 1.00 1.54 N ATOM 343 CA LEU A 21 16.291 -7.949 -20.009 1.00 45.55 C ATOM 344 C LEU A 21 17.778 -8.254 -20.160 1.00 43.01 C ATOM 345 O LEU A 21 18.516 -8.298 -19.175 1.00 40.24 O ATOM 346 CB LEU A 21 16.016 -6.495 -20.399 1.00 74.35 C ATOM 347 CG LEU A 21 16.813 -5.434 -19.641 1.00 0.12 C ATOM 348 CD1 LEU A 21 17.652 -4.608 -20.603 1.00 4.30 C ATOM 349 CD2 LEU A 21 15.880 -4.538 -18.839 1.00 42.33 C ATOM 0 H LEU A 21 16.043 -7.442 -17.990 1.00 1.54 H new ATOM 0 HA LEU A 21 15.734 -8.609 -20.673 1.00 45.55 H new ATOM 0 HB2 LEU A 21 16.219 -6.381 -21.464 1.00 74.35 H new ATOM 0 HB3 LEU A 21 14.954 -6.296 -20.254 1.00 74.35 H new ATOM 0 HG LEU A 21 17.485 -5.939 -18.947 1.00 0.12 H new ATOM 0 HD11 LEU A 21 18.212 -3.858 -20.045 1.00 4.30 H new ATOM 0 HD12 LEU A 21 18.346 -5.260 -21.132 1.00 4.30 H new ATOM 0 HD13 LEU A 21 16.999 -4.113 -21.322 1.00 4.30 H new ATOM 0 HD21 LEU A 21 16.465 -3.788 -18.306 1.00 42.33 H new ATOM 0 HD22 LEU A 21 15.183 -4.042 -19.514 1.00 42.33 H new ATOM 0 HD23 LEU A 21 15.323 -5.141 -18.122 1.00 42.33 H new ATOM 361 N ASP A 22 18.212 -8.462 -21.398 1.00 74.34 N ATOM 362 CA ASP A 22 19.611 -8.760 -21.679 1.00 23.23 C ATOM 363 C ASP A 22 19.810 -9.098 -23.153 1.00 43.00 C ATOM 364 O ASP A 22 20.020 -10.257 -23.512 1.00 1.24 O ATOM 365 CB ASP A 22 20.092 -9.922 -20.807 1.00 41.43 C ATOM 366 CG ASP A 22 21.091 -9.481 -19.755 1.00 73.00 C ATOM 367 OD1 ASP A 22 21.087 -8.285 -19.398 1.00 14.40 O ATOM 368 OD2 ASP A 22 21.877 -10.333 -19.289 1.00 52.52 O ATOM 0 H ASP A 22 17.614 -8.430 -22.224 1.00 74.34 H new ATOM 0 HA ASP A 22 20.200 -7.873 -21.446 1.00 23.23 H new ATOM 0 HB2 ASP A 22 19.235 -10.385 -20.318 1.00 41.43 H new ATOM 0 HB3 ASP A 22 20.548 -10.683 -21.440 1.00 41.43 H new ATOM 373 N ARG A 23 19.742 -8.078 -24.003 1.00 31.52 N ATOM 374 CA ARG A 23 19.912 -8.268 -25.438 1.00 42.33 C ATOM 375 C ARG A 23 19.878 -6.930 -26.171 1.00 4.51 C ATOM 376 O ARG A 23 18.901 -6.581 -26.834 1.00 30.25 O ATOM 377 CB ARG A 23 18.820 -9.189 -25.986 1.00 4.30 C ATOM 378 CG ARG A 23 19.237 -9.954 -27.232 1.00 1.44 C ATOM 379 CD ARG A 23 20.393 -10.899 -26.944 1.00 50.02 C ATOM 380 NE ARG A 23 20.126 -11.756 -25.793 1.00 35.35 N ATOM 381 CZ ARG A 23 19.401 -12.868 -25.856 1.00 51.23 C ATOM 382 NH1 ARG A 23 18.875 -13.255 -27.010 1.00 53.21 N ATOM 383 NH2 ARG A 23 19.202 -13.595 -24.764 1.00 70.14 N ATOM 0 H ARG A 23 19.570 -7.112 -23.722 1.00 31.52 H new ATOM 0 HA ARG A 23 20.885 -8.730 -25.605 1.00 42.33 H new ATOM 0 HB2 ARG A 23 18.534 -9.901 -25.211 1.00 4.30 H new ATOM 0 HB3 ARG A 23 17.936 -8.594 -26.214 1.00 4.30 H new ATOM 0 HG2 ARG A 23 18.388 -10.521 -27.613 1.00 1.44 H new ATOM 0 HG3 ARG A 23 19.526 -9.250 -28.013 1.00 1.44 H new ATOM 0 HD2 ARG A 23 20.582 -11.518 -27.821 1.00 50.02 H new ATOM 0 HD3 ARG A 23 21.298 -10.320 -26.762 1.00 50.02 H new ATOM 0 HE ARG A 23 20.517 -11.487 -24.890 1.00 35.35 H new ATOM 0 HH11 ARG A 23 19.027 -12.699 -27.852 1.00 53.21 H new ATOM 0 HH12 ARG A 23 18.319 -14.109 -27.056 1.00 53.21 H new ATOM 0 HH21 ARG A 23 19.606 -13.301 -23.875 1.00 70.14 H new ATOM 0 HH22 ARG A 23 18.645 -14.448 -24.814 1.00 70.14 H new ATOM 397 N PRO A 24 20.971 -6.160 -26.050 1.00 34.54 N ATOM 398 CA PRO A 24 21.091 -4.849 -26.693 1.00 14.20 C ATOM 399 C PRO A 24 21.215 -4.956 -28.209 1.00 55.10 C ATOM 400 O PRO A 24 22.238 -5.401 -28.727 1.00 23.44 O ATOM 401 CB PRO A 24 22.375 -4.274 -26.091 1.00 24.53 C ATOM 402 CG PRO A 24 23.172 -5.468 -25.689 1.00 51.34 C ATOM 403 CD PRO A 24 22.173 -6.513 -25.275 1.00 52.55 C ATOM 0 HA PRO A 24 20.210 -4.230 -26.523 1.00 14.20 H new ATOM 0 HB2 PRO A 24 22.914 -3.664 -26.816 1.00 24.53 H new ATOM 0 HB3 PRO A 24 22.159 -3.635 -25.235 1.00 24.53 H new ATOM 0 HG2 PRO A 24 23.788 -5.823 -26.516 1.00 51.34 H new ATOM 0 HG3 PRO A 24 23.848 -5.228 -24.868 1.00 51.34 H new ATOM 0 HD2 PRO A 24 22.522 -7.518 -25.510 1.00 52.55 H new ATOM 0 HD3 PRO A 24 21.982 -6.484 -24.202 1.00 52.55 H new ATOM 411 N GLN A 25 20.166 -4.544 -28.914 1.00 71.34 N ATOM 412 CA GLN A 25 20.159 -4.595 -30.372 1.00 13.24 C ATOM 413 C GLN A 25 21.106 -3.553 -30.957 1.00 63.01 C ATOM 414 O GLN A 25 21.942 -3.867 -31.804 1.00 32.41 O ATOM 415 CB GLN A 25 18.742 -4.369 -30.904 1.00 24.52 C ATOM 416 CG GLN A 25 17.867 -5.611 -30.848 1.00 12.13 C ATOM 417 CD GLN A 25 16.747 -5.490 -29.833 1.00 22.12 C ATOM 418 OE1 GLN A 25 15.572 -5.416 -30.193 1.00 62.13 O ATOM 419 NE2 GLN A 25 17.106 -5.470 -28.554 1.00 43.55 N ATOM 0 H GLN A 25 19.311 -4.172 -28.500 1.00 71.34 H new ATOM 0 HA GLN A 25 20.501 -5.584 -30.678 1.00 13.24 H new ATOM 0 HB2 GLN A 25 18.268 -3.575 -30.327 1.00 24.52 H new ATOM 0 HB3 GLN A 25 18.801 -4.022 -31.936 1.00 24.52 H new ATOM 0 HG2 GLN A 25 17.440 -5.795 -31.834 1.00 12.13 H new ATOM 0 HG3 GLN A 25 18.484 -6.475 -30.601 1.00 12.13 H new ATOM 0 HE21 GLN A 25 18.092 -5.534 -28.300 1.00 43.55 H new ATOM 0 HE22 GLN A 25 16.396 -5.391 -27.826 1.00 43.55 H new ATOM 428 N GLU A 26 20.969 -2.312 -30.500 1.00 24.21 N ATOM 429 CA GLU A 26 21.813 -1.224 -30.980 1.00 63.43 C ATOM 430 C GLU A 26 23.201 -1.292 -30.348 1.00 73.45 C ATOM 431 O GLU A 26 24.214 -1.215 -31.041 1.00 42.14 O ATOM 432 CB GLU A 26 21.166 0.127 -30.672 1.00 1.33 C ATOM 433 CG GLU A 26 20.608 0.829 -31.898 1.00 43.34 C ATOM 434 CD GLU A 26 19.144 0.513 -32.136 1.00 44.32 C ATOM 435 OE1 GLU A 26 18.367 0.535 -31.159 1.00 22.43 O ATOM 436 OE2 GLU A 26 18.776 0.245 -33.299 1.00 30.44 O ATOM 0 H GLU A 26 20.282 -2.035 -29.799 1.00 24.21 H new ATOM 0 HA GLU A 26 21.919 -1.330 -32.060 1.00 63.43 H new ATOM 0 HB2 GLU A 26 20.362 -0.021 -29.951 1.00 1.33 H new ATOM 0 HB3 GLU A 26 21.904 0.774 -30.198 1.00 1.33 H new ATOM 0 HG2 GLU A 26 20.729 1.906 -31.782 1.00 43.34 H new ATOM 0 HG3 GLU A 26 21.186 0.536 -32.774 1.00 43.34 H new ATOM 443 N ASN A 27 23.236 -1.437 -29.028 1.00 25.32 N ATOM 444 CA ASN A 27 24.499 -1.515 -28.301 1.00 53.43 C ATOM 445 C ASN A 27 25.396 -0.329 -28.643 1.00 24.21 C ATOM 446 O ASN A 27 26.499 -0.501 -29.160 1.00 64.00 O ATOM 447 CB ASN A 27 25.219 -2.825 -28.627 1.00 0.42 C ATOM 448 CG ASN A 27 26.274 -3.176 -27.595 1.00 73.24 C ATOM 449 OD1 ASN A 27 27.467 -3.205 -27.897 1.00 20.44 O ATOM 450 ND2 ASN A 27 25.837 -3.446 -26.371 1.00 13.54 N ATOM 0 H ASN A 27 22.406 -1.503 -28.439 1.00 25.32 H new ATOM 0 HA ASN A 27 24.279 -1.486 -27.234 1.00 53.43 H new ATOM 0 HB2 ASN A 27 24.489 -3.633 -28.686 1.00 0.42 H new ATOM 0 HB3 ASN A 27 25.687 -2.745 -29.608 1.00 0.42 H new ATOM 0 HD21 ASN A 27 26.500 -3.690 -25.635 1.00 13.54 H new ATOM 0 HD22 ASN A 27 24.838 -3.410 -26.166 1.00 13.54 H new ATOM 457 N GLY A 28 24.915 0.875 -28.349 1.00 21.01 N ATOM 458 CA GLY A 28 25.686 2.071 -28.631 1.00 45.32 C ATOM 459 C GLY A 28 25.138 3.295 -27.925 1.00 13.11 C ATOM 460 O GLY A 28 25.897 4.152 -27.472 1.00 2.54 O ATOM 0 H GLY A 28 24.005 1.043 -27.920 1.00 21.01 H new ATOM 0 HA2 GLY A 28 26.721 1.913 -28.326 1.00 45.32 H new ATOM 0 HA3 GLY A 28 25.694 2.249 -29.706 1.00 45.32 H new ATOM 464 N LEU A 29 23.815 3.379 -27.832 1.00 22.13 N ATOM 465 CA LEU A 29 23.164 4.508 -27.177 1.00 4.44 C ATOM 466 C LEU A 29 21.669 4.257 -27.016 1.00 34.40 C ATOM 467 O LEU A 29 21.069 4.638 -26.011 1.00 33.03 O ATOM 468 CB LEU A 29 23.394 5.790 -27.979 1.00 41.21 C ATOM 469 CG LEU A 29 22.604 7.018 -27.524 1.00 23.22 C ATOM 470 CD1 LEU A 29 23.492 8.253 -27.522 1.00 75.02 C ATOM 471 CD2 LEU A 29 21.390 7.232 -28.416 1.00 23.00 C ATOM 0 H LEU A 29 23.172 2.679 -28.202 1.00 22.13 H new ATOM 0 HA LEU A 29 23.603 4.623 -26.186 1.00 4.44 H new ATOM 0 HB2 LEU A 29 24.456 6.032 -27.942 1.00 41.21 H new ATOM 0 HB3 LEU A 29 23.148 5.591 -29.022 1.00 41.21 H new ATOM 0 HG LEU A 29 22.255 6.845 -26.506 1.00 23.22 H new ATOM 0 HD11 LEU A 29 22.913 9.117 -27.196 1.00 75.02 H new ATOM 0 HD12 LEU A 29 24.329 8.098 -26.841 1.00 75.02 H new ATOM 0 HD13 LEU A 29 23.872 8.430 -28.528 1.00 75.02 H new ATOM 0 HD21 LEU A 29 20.840 8.110 -28.077 1.00 23.00 H new ATOM 0 HD22 LEU A 29 21.717 7.383 -29.445 1.00 23.00 H new ATOM 0 HD23 LEU A 29 20.743 6.357 -28.366 1.00 23.00 H new ATOM 483 N PHE A 30 21.072 3.610 -28.012 1.00 43.32 N ATOM 484 CA PHE A 30 19.646 3.306 -27.981 1.00 44.01 C ATOM 485 C PHE A 30 19.322 2.338 -26.848 1.00 34.45 C ATOM 486 O PHE A 30 18.159 2.158 -26.484 1.00 63.11 O ATOM 487 CB PHE A 30 19.201 2.711 -29.319 1.00 10.24 C ATOM 488 CG PHE A 30 18.543 3.708 -30.229 1.00 14.44 C ATOM 489 CD1 PHE A 30 19.277 4.736 -30.799 1.00 72.42 C ATOM 490 CD2 PHE A 30 17.190 3.618 -30.514 1.00 12.31 C ATOM 491 CE1 PHE A 30 18.673 5.655 -31.636 1.00 62.02 C ATOM 492 CE2 PHE A 30 16.581 4.535 -31.351 1.00 33.54 C ATOM 493 CZ PHE A 30 17.324 5.554 -31.913 1.00 72.43 C ATOM 0 H PHE A 30 21.554 3.286 -28.851 1.00 43.32 H new ATOM 0 HA PHE A 30 19.105 4.236 -27.807 1.00 44.01 H new ATOM 0 HB2 PHE A 30 20.068 2.286 -29.825 1.00 10.24 H new ATOM 0 HB3 PHE A 30 18.508 1.891 -29.130 1.00 10.24 H new ATOM 0 HD1 PHE A 30 20.333 4.820 -30.587 1.00 72.42 H new ATOM 0 HD2 PHE A 30 16.604 2.823 -30.077 1.00 12.31 H new ATOM 0 HE1 PHE A 30 19.256 6.452 -32.073 1.00 62.02 H new ATOM 0 HE2 PHE A 30 15.525 4.454 -31.565 1.00 33.54 H new ATOM 0 HZ PHE A 30 16.851 6.271 -32.568 1.00 72.43 H new ATOM 503 N SER A 31 20.357 1.716 -26.293 1.00 65.24 N ATOM 504 CA SER A 31 20.183 0.762 -25.204 1.00 41.12 C ATOM 505 C SER A 31 21.416 0.732 -24.306 1.00 61.31 C ATOM 506 O SER A 31 21.703 -0.277 -23.663 1.00 32.34 O ATOM 507 CB SER A 31 19.909 -0.636 -25.761 1.00 64.23 C ATOM 508 OG SER A 31 19.259 -1.450 -24.800 1.00 41.25 O ATOM 0 H SER A 31 21.326 1.856 -26.580 1.00 65.24 H new ATOM 0 HA SER A 31 19.328 1.081 -24.607 1.00 41.12 H new ATOM 0 HB2 SER A 31 19.291 -0.560 -26.655 1.00 64.23 H new ATOM 0 HB3 SER A 31 20.848 -1.102 -26.061 1.00 64.23 H new ATOM 0 HG SER A 31 19.094 -2.338 -25.181 1.00 41.25 H new ATOM 514 N GLN A 32 22.141 1.845 -24.269 1.00 50.11 N ATOM 515 CA GLN A 32 23.344 1.946 -23.451 1.00 13.30 C ATOM 516 C GLN A 32 23.663 3.403 -23.130 1.00 62.35 C ATOM 517 O GLN A 32 22.947 4.312 -23.550 1.00 2.23 O ATOM 518 CB GLN A 32 24.529 1.297 -24.167 1.00 43.42 C ATOM 519 CG GLN A 32 25.182 0.178 -23.372 1.00 41.30 C ATOM 520 CD GLN A 32 24.359 -1.095 -23.372 1.00 11.30 C ATOM 521 OE1 GLN A 32 24.075 -1.664 -22.318 1.00 21.13 O ATOM 522 NE2 GLN A 32 23.970 -1.549 -24.558 1.00 1.32 N ATOM 0 H GLN A 32 21.917 2.689 -24.796 1.00 50.11 H new ATOM 0 HA GLN A 32 23.162 1.418 -22.515 1.00 13.30 H new ATOM 0 HB2 GLN A 32 24.192 0.902 -25.125 1.00 43.42 H new ATOM 0 HB3 GLN A 32 25.275 2.061 -24.383 1.00 43.42 H new ATOM 0 HG2 GLN A 32 26.167 -0.031 -23.788 1.00 41.30 H new ATOM 0 HG3 GLN A 32 25.334 0.508 -22.344 1.00 41.30 H new ATOM 0 HE21 GLN A 32 24.228 -1.045 -25.407 1.00 1.32 H new ATOM 0 HE22 GLN A 32 23.413 -2.401 -24.620 1.00 1.32 H new ATOM 531 N ASP A 33 24.742 3.616 -22.385 1.00 52.20 N ATOM 532 CA ASP A 33 25.157 4.963 -22.009 1.00 33.44 C ATOM 533 C ASP A 33 26.370 5.404 -22.820 1.00 45.15 C ATOM 534 O ASP A 33 27.447 4.817 -22.716 1.00 63.42 O ATOM 535 CB ASP A 33 25.478 5.021 -20.514 1.00 42.25 C ATOM 536 CG ASP A 33 24.230 5.030 -19.654 1.00 23.24 C ATOM 537 OD1 ASP A 33 23.640 6.116 -19.474 1.00 43.02 O ATOM 538 OD2 ASP A 33 23.843 3.950 -19.160 1.00 42.21 O ATOM 0 H ASP A 33 25.345 2.874 -22.030 1.00 52.20 H new ATOM 0 HA ASP A 33 24.333 5.644 -22.223 1.00 33.44 H new ATOM 0 HB2 ASP A 33 26.095 4.164 -20.244 1.00 42.25 H new ATOM 0 HB3 ASP A 33 26.066 5.915 -20.306 1.00 42.25 H new ATOM 543 N VAL A 34 26.189 6.442 -23.630 1.00 54.34 N ATOM 544 CA VAL A 34 27.268 6.963 -24.460 1.00 64.24 C ATOM 545 C VAL A 34 28.492 7.307 -23.618 1.00 52.03 C ATOM 546 O VAL A 34 29.620 7.305 -24.113 1.00 21.04 O ATOM 547 CB VAL A 34 26.825 8.216 -25.238 1.00 14.23 C ATOM 548 CG1 VAL A 34 26.276 9.268 -24.286 1.00 40.41 C ATOM 549 CG2 VAL A 34 27.981 8.774 -26.053 1.00 43.22 C ATOM 0 H VAL A 34 25.304 6.939 -23.729 1.00 54.34 H new ATOM 0 HA VAL A 34 27.527 6.178 -25.170 1.00 64.24 H new ATOM 0 HB VAL A 34 26.029 7.932 -25.927 1.00 14.23 H new ATOM 0 HG11 VAL A 34 25.968 10.146 -24.853 1.00 40.41 H new ATOM 0 HG12 VAL A 34 25.418 8.862 -23.751 1.00 40.41 H new ATOM 0 HG13 VAL A 34 27.049 9.550 -23.571 1.00 40.41 H new ATOM 0 HG21 VAL A 34 27.649 9.659 -26.596 1.00 43.22 H new ATOM 0 HG22 VAL A 34 28.800 9.043 -25.386 1.00 43.22 H new ATOM 0 HG23 VAL A 34 28.323 8.020 -26.762 1.00 43.22 H new ATOM 559 N LEU A 35 28.262 7.602 -22.344 1.00 14.03 N ATOM 560 CA LEU A 35 29.346 7.948 -21.431 1.00 15.22 C ATOM 561 C LEU A 35 30.294 6.769 -21.240 1.00 2.23 C ATOM 562 O LEU A 35 31.461 6.948 -20.887 1.00 33.21 O ATOM 563 CB LEU A 35 28.780 8.386 -20.079 1.00 14.42 C ATOM 564 CG LEU A 35 29.547 9.495 -19.357 1.00 62.33 C ATOM 565 CD1 LEU A 35 30.925 9.005 -18.938 1.00 74.45 C ATOM 566 CD2 LEU A 35 29.664 10.726 -20.243 1.00 40.43 C ATOM 0 H LEU A 35 27.335 7.609 -21.919 1.00 14.03 H new ATOM 0 HA LEU A 35 29.907 8.774 -21.868 1.00 15.22 H new ATOM 0 HB2 LEU A 35 27.753 8.720 -20.229 1.00 14.42 H new ATOM 0 HB3 LEU A 35 28.740 7.515 -19.425 1.00 14.42 H new ATOM 0 HG LEU A 35 28.993 9.769 -18.459 1.00 62.33 H new ATOM 0 HD11 LEU A 35 31.456 9.807 -18.426 1.00 74.45 H new ATOM 0 HD12 LEU A 35 30.820 8.153 -18.266 1.00 74.45 H new ATOM 0 HD13 LEU A 35 31.488 8.703 -19.821 1.00 74.45 H new ATOM 0 HD21 LEU A 35 30.213 11.505 -19.713 1.00 40.43 H new ATOM 0 HD22 LEU A 35 30.196 10.466 -21.158 1.00 40.43 H new ATOM 0 HD23 LEU A 35 28.668 11.090 -20.493 1.00 40.43 H new ATOM 578 N LEU A 36 29.787 5.564 -21.477 1.00 2.41 N ATOM 579 CA LEU A 36 30.590 4.355 -21.333 1.00 71.23 C ATOM 580 C LEU A 36 31.164 3.919 -22.678 1.00 10.52 C ATOM 581 O LEU A 36 31.354 2.729 -22.925 1.00 41.14 O ATOM 582 CB LEU A 36 29.746 3.227 -20.737 1.00 21.11 C ATOM 583 CG LEU A 36 29.406 3.357 -19.252 1.00 34.51 C ATOM 584 CD1 LEU A 36 28.355 4.435 -19.037 1.00 71.13 C ATOM 585 CD2 LEU A 36 28.926 2.024 -18.696 1.00 73.44 C ATOM 0 H LEU A 36 28.824 5.398 -21.770 1.00 2.41 H new ATOM 0 HA LEU A 36 31.418 4.576 -20.660 1.00 71.23 H new ATOM 0 HB2 LEU A 36 28.814 3.162 -21.298 1.00 21.11 H new ATOM 0 HB3 LEU A 36 30.275 2.286 -20.887 1.00 21.11 H new ATOM 0 HG LEU A 36 30.310 3.648 -18.716 1.00 34.51 H new ATOM 0 HD11 LEU A 36 28.126 4.513 -17.974 1.00 71.13 H new ATOM 0 HD12 LEU A 36 28.735 5.391 -19.397 1.00 71.13 H new ATOM 0 HD13 LEU A 36 27.450 4.175 -19.585 1.00 71.13 H new ATOM 0 HD21 LEU A 36 28.689 2.135 -17.638 1.00 73.44 H new ATOM 0 HD22 LEU A 36 28.035 1.704 -19.236 1.00 73.44 H new ATOM 0 HD23 LEU A 36 29.710 1.276 -18.815 1.00 73.44 H new ATOM 597 N GLN A 37 31.439 4.892 -23.541 1.00 4.24 N ATOM 598 CA GLN A 37 31.993 4.609 -24.859 1.00 65.33 C ATOM 599 C GLN A 37 33.473 4.975 -24.918 1.00 53.05 C ATOM 600 O GLN A 37 34.339 4.100 -24.927 1.00 43.41 O ATOM 601 CB GLN A 37 31.223 5.375 -25.935 1.00 55.42 C ATOM 602 CG GLN A 37 29.734 5.069 -25.952 1.00 73.50 C ATOM 603 CD GLN A 37 29.434 3.658 -26.419 1.00 72.12 C ATOM 604 OE1 GLN A 37 30.247 3.030 -27.099 1.00 11.54 O ATOM 605 NE2 GLN A 37 28.261 3.151 -26.056 1.00 65.55 N ATOM 0 H GLN A 37 31.287 5.883 -23.351 1.00 4.24 H new ATOM 0 HA GLN A 37 31.894 3.539 -25.044 1.00 65.33 H new ATOM 0 HB2 GLN A 37 31.364 6.445 -25.779 1.00 55.42 H new ATOM 0 HB3 GLN A 37 31.646 5.137 -26.911 1.00 55.42 H new ATOM 0 HG2 GLN A 37 29.326 5.211 -24.951 1.00 73.50 H new ATOM 0 HG3 GLN A 37 29.228 5.779 -26.606 1.00 73.50 H new ATOM 0 HE21 GLN A 37 27.618 3.707 -25.492 1.00 65.55 H new ATOM 0 HE22 GLN A 37 28.004 2.206 -26.341 1.00 65.55 H new ATOM 614 N TYR A 38 33.754 6.272 -24.959 1.00 44.55 N ATOM 615 CA TYR A 38 35.129 6.755 -25.021 1.00 21.42 C ATOM 616 C TYR A 38 35.211 8.222 -24.611 1.00 55.15 C ATOM 617 O TYR A 38 34.236 8.970 -24.689 1.00 73.01 O ATOM 618 CB TYR A 38 35.692 6.575 -26.432 1.00 2.14 C ATOM 619 CG TYR A 38 36.330 5.224 -26.662 1.00 22.35 C ATOM 620 CD1 TYR A 38 37.276 4.720 -25.777 1.00 41.41 C ATOM 621 CD2 TYR A 38 35.986 4.450 -27.763 1.00 62.31 C ATOM 622 CE1 TYR A 38 37.862 3.487 -25.984 1.00 20.42 C ATOM 623 CE2 TYR A 38 36.566 3.214 -27.977 1.00 11.10 C ATOM 624 CZ TYR A 38 37.504 2.737 -27.085 1.00 14.21 C ATOM 625 OH TYR A 38 38.084 1.507 -27.294 1.00 11.14 O ATOM 0 H TYR A 38 33.048 7.008 -24.950 1.00 44.55 H new ATOM 0 HA TYR A 38 35.725 6.168 -24.322 1.00 21.42 H new ATOM 0 HB2 TYR A 38 34.889 6.716 -27.155 1.00 2.14 H new ATOM 0 HB3 TYR A 38 36.431 7.353 -26.621 1.00 2.14 H new ATOM 0 HD1 TYR A 38 37.558 5.303 -24.913 1.00 41.41 H new ATOM 0 HD2 TYR A 38 35.253 4.821 -28.464 1.00 62.31 H new ATOM 0 HE1 TYR A 38 38.597 3.112 -25.287 1.00 20.42 H new ATOM 0 HE2 TYR A 38 36.286 2.625 -28.838 1.00 11.10 H new ATOM 0 HH TYR A 38 37.721 1.109 -28.113 1.00 11.14 H new ATOM 635 N PRO A 39 36.402 8.645 -24.165 1.00 45.31 N ATOM 636 CA PRO A 39 36.642 10.026 -23.736 1.00 10.35 C ATOM 637 C PRO A 39 36.620 11.008 -24.902 1.00 2.31 C ATOM 638 O PRO A 39 37.668 11.449 -25.373 1.00 60.10 O ATOM 639 CB PRO A 39 38.039 9.967 -23.113 1.00 30.33 C ATOM 640 CG PRO A 39 38.700 8.807 -23.774 1.00 75.31 C ATOM 641 CD PRO A 39 37.608 7.809 -24.046 1.00 63.50 C ATOM 0 HA PRO A 39 35.870 10.380 -23.052 1.00 10.35 H new ATOM 0 HB2 PRO A 39 38.591 10.890 -23.290 1.00 30.33 H new ATOM 0 HB3 PRO A 39 37.985 9.829 -22.033 1.00 30.33 H new ATOM 0 HG2 PRO A 39 39.190 9.112 -24.699 1.00 75.31 H new ATOM 0 HG3 PRO A 39 39.470 8.378 -23.132 1.00 75.31 H new ATOM 0 HD2 PRO A 39 37.798 7.245 -24.959 1.00 63.50 H new ATOM 0 HD3 PRO A 39 37.516 7.084 -23.237 1.00 63.50 H new ATOM 649 N GLU A 40 35.420 11.347 -25.362 1.00 71.12 N ATOM 650 CA GLU A 40 35.264 12.277 -26.474 1.00 55.12 C ATOM 651 C GLU A 40 33.799 12.664 -26.658 1.00 11.22 C ATOM 652 O GLU A 40 33.484 13.810 -26.984 1.00 33.44 O ATOM 653 CB GLU A 40 35.805 11.659 -27.765 1.00 53.01 C ATOM 654 CG GLU A 40 35.403 10.207 -27.960 1.00 33.32 C ATOM 655 CD GLU A 40 36.597 9.291 -28.151 1.00 15.53 C ATOM 656 OE1 GLU A 40 37.633 9.524 -27.494 1.00 11.52 O ATOM 657 OE2 GLU A 40 36.495 8.343 -28.957 1.00 11.15 O ATOM 0 H GLU A 40 34.542 10.992 -24.982 1.00 71.12 H new ATOM 0 HA GLU A 40 35.834 13.177 -26.244 1.00 55.12 H new ATOM 0 HB2 GLU A 40 35.449 12.243 -28.614 1.00 53.01 H new ATOM 0 HB3 GLU A 40 36.893 11.729 -27.763 1.00 53.01 H new ATOM 0 HG2 GLU A 40 34.829 9.874 -27.095 1.00 33.32 H new ATOM 0 HG3 GLU A 40 34.747 10.129 -28.827 1.00 33.32 H new ATOM 664 N LEU A 41 32.908 11.702 -26.447 1.00 70.31 N ATOM 665 CA LEU A 41 31.476 11.940 -26.589 1.00 52.25 C ATOM 666 C LEU A 41 30.812 12.102 -25.226 1.00 25.05 C ATOM 667 O LEU A 41 29.588 12.163 -25.123 1.00 53.23 O ATOM 668 CB LEU A 41 30.821 10.789 -27.355 1.00 14.14 C ATOM 669 CG LEU A 41 31.194 9.379 -26.895 1.00 50.21 C ATOM 670 CD1 LEU A 41 32.510 8.945 -27.521 1.00 4.05 C ATOM 671 CD2 LEU A 41 31.277 9.318 -25.377 1.00 33.41 C ATOM 0 H LEU A 41 33.152 10.749 -26.177 1.00 70.31 H new ATOM 0 HA LEU A 41 31.341 12.865 -27.150 1.00 52.25 H new ATOM 0 HB2 LEU A 41 29.739 10.899 -27.282 1.00 14.14 H new ATOM 0 HB3 LEU A 41 31.081 10.886 -28.409 1.00 14.14 H new ATOM 0 HG LEU A 41 30.415 8.691 -27.224 1.00 50.21 H new ATOM 0 HD11 LEU A 41 32.760 7.939 -27.183 1.00 4.05 H new ATOM 0 HD12 LEU A 41 32.415 8.949 -28.607 1.00 4.05 H new ATOM 0 HD13 LEU A 41 33.300 9.635 -27.223 1.00 4.05 H new ATOM 0 HD21 LEU A 41 31.543 8.307 -25.067 1.00 33.41 H new ATOM 0 HD22 LEU A 41 32.036 10.017 -25.026 1.00 33.41 H new ATOM 0 HD23 LEU A 41 30.311 9.586 -24.949 1.00 33.41 H new ATOM 683 N ALA A 42 31.630 12.173 -24.180 1.00 62.42 N ATOM 684 CA ALA A 42 31.123 12.332 -22.823 1.00 61.20 C ATOM 685 C ALA A 42 30.217 13.554 -22.715 1.00 61.42 C ATOM 686 O ALA A 42 29.339 13.612 -21.855 1.00 71.13 O ATOM 687 CB ALA A 42 32.277 12.440 -21.838 1.00 24.34 C ATOM 0 H ALA A 42 32.647 12.123 -24.247 1.00 62.42 H new ATOM 0 HA ALA A 42 30.531 11.450 -22.577 1.00 61.20 H new ATOM 0 HB1 ALA A 42 31.884 12.558 -20.828 1.00 24.34 H new ATOM 0 HB2 ALA A 42 32.883 11.536 -21.887 1.00 24.34 H new ATOM 0 HB3 ALA A 42 32.892 13.304 -22.091 1.00 24.34 H new ATOM 693 N GLU A 43 30.437 14.527 -23.593 1.00 45.40 N ATOM 694 CA GLU A 43 29.641 15.749 -23.594 1.00 73.31 C ATOM 695 C GLU A 43 28.212 15.466 -24.050 1.00 22.10 C ATOM 696 O GLU A 43 27.250 15.861 -23.392 1.00 74.12 O ATOM 697 CB GLU A 43 30.280 16.800 -24.504 1.00 35.00 C ATOM 698 CG GLU A 43 31.654 17.251 -24.041 1.00 4.42 C ATOM 699 CD GLU A 43 31.788 18.761 -23.994 1.00 13.21 C ATOM 700 OE1 GLU A 43 31.279 19.373 -23.031 1.00 64.33 O ATOM 701 OE2 GLU A 43 32.401 19.331 -24.921 1.00 20.02 O ATOM 0 H GLU A 43 31.159 14.493 -24.312 1.00 45.40 H new ATOM 0 HA GLU A 43 29.610 16.133 -22.574 1.00 73.31 H new ATOM 0 HB2 GLU A 43 30.361 16.394 -25.512 1.00 35.00 H new ATOM 0 HB3 GLU A 43 29.622 17.667 -24.561 1.00 35.00 H new ATOM 0 HG2 GLU A 43 31.852 16.842 -23.050 1.00 4.42 H new ATOM 0 HG3 GLU A 43 32.411 16.844 -24.711 1.00 4.42 H new ATOM 708 N SER A 44 28.083 14.780 -25.181 1.00 61.21 N ATOM 709 CA SER A 44 26.773 14.448 -25.728 1.00 70.53 C ATOM 710 C SER A 44 25.914 13.736 -24.687 1.00 61.14 C ATOM 711 O SER A 44 24.687 13.832 -24.708 1.00 12.20 O ATOM 712 CB SER A 44 26.924 13.567 -26.970 1.00 71.31 C ATOM 713 OG SER A 44 26.630 12.213 -26.674 1.00 33.44 O ATOM 0 H SER A 44 28.870 14.443 -25.736 1.00 61.21 H new ATOM 0 HA SER A 44 26.277 15.377 -26.008 1.00 70.53 H new ATOM 0 HB2 SER A 44 26.258 13.924 -27.756 1.00 71.31 H new ATOM 0 HB3 SER A 44 27.941 13.646 -27.354 1.00 71.31 H new ATOM 0 HG SER A 44 26.732 11.671 -27.484 1.00 33.44 H new ATOM 719 N TYR A 45 26.568 13.021 -23.779 1.00 2.55 N ATOM 720 CA TYR A 45 25.866 12.291 -22.730 1.00 72.23 C ATOM 721 C TYR A 45 25.056 13.241 -21.853 1.00 74.34 C ATOM 722 O TYR A 45 23.994 12.881 -21.343 1.00 1.32 O ATOM 723 CB TYR A 45 26.860 11.509 -21.871 1.00 23.43 C ATOM 724 CG TYR A 45 26.213 10.754 -20.731 1.00 43.41 C ATOM 725 CD1 TYR A 45 25.275 9.759 -20.974 1.00 52.34 C ATOM 726 CD2 TYR A 45 26.542 11.036 -19.411 1.00 14.54 C ATOM 727 CE1 TYR A 45 24.681 9.068 -19.936 1.00 53.41 C ATOM 728 CE2 TYR A 45 25.954 10.350 -18.366 1.00 74.41 C ATOM 729 CZ TYR A 45 25.024 9.367 -18.634 1.00 35.11 C ATOM 730 OH TYR A 45 24.435 8.680 -17.597 1.00 21.11 O ATOM 0 H TYR A 45 27.584 12.931 -23.748 1.00 2.55 H new ATOM 0 HA TYR A 45 25.179 11.592 -23.207 1.00 72.23 H new ATOM 0 HB2 TYR A 45 27.398 10.803 -22.504 1.00 23.43 H new ATOM 0 HB3 TYR A 45 27.599 12.200 -21.465 1.00 23.43 H new ATOM 0 HD1 TYR A 45 25.005 9.521 -21.992 1.00 52.34 H new ATOM 0 HD2 TYR A 45 27.270 11.805 -19.198 1.00 14.54 H new ATOM 0 HE1 TYR A 45 23.952 8.298 -20.143 1.00 53.41 H new ATOM 0 HE2 TYR A 45 26.221 10.582 -17.345 1.00 74.41 H new ATOM 0 HH TYR A 45 24.094 7.822 -17.925 1.00 21.11 H new ATOM 740 N THR A 46 25.564 14.457 -21.683 1.00 51.31 N ATOM 741 CA THR A 46 24.890 15.460 -20.868 1.00 52.14 C ATOM 742 C THR A 46 23.478 15.725 -21.379 1.00 42.22 C ATOM 743 O THR A 46 22.521 15.748 -20.606 1.00 34.44 O ATOM 744 CB THR A 46 25.673 16.786 -20.847 1.00 43.13 C ATOM 745 OG1 THR A 46 25.599 17.419 -22.129 1.00 42.44 O ATOM 746 CG2 THR A 46 27.129 16.548 -20.477 1.00 5.41 C ATOM 0 H THR A 46 26.441 14.771 -22.099 1.00 51.31 H new ATOM 0 HA THR A 46 24.838 15.061 -19.855 1.00 52.14 H new ATOM 0 HB THR A 46 25.225 17.436 -20.095 1.00 43.13 H new ATOM 0 HG1 THR A 46 26.194 16.958 -22.756 1.00 42.44 H new ATOM 0 HG21 THR A 46 27.662 17.499 -20.469 1.00 5.41 H new ATOM 0 HG22 THR A 46 27.183 16.093 -19.488 1.00 5.41 H new ATOM 0 HG23 THR A 46 27.586 15.882 -21.209 1.00 5.41 H new ATOM 754 N LYS A 47 23.355 15.925 -22.687 1.00 1.10 N ATOM 755 CA LYS A 47 22.060 16.187 -23.303 1.00 33.11 C ATOM 756 C LYS A 47 21.121 14.998 -23.122 1.00 10.33 C ATOM 757 O LYS A 47 19.900 15.153 -23.126 1.00 34.21 O ATOM 758 CB LYS A 47 22.232 16.491 -24.793 1.00 5.43 C ATOM 759 CG LYS A 47 20.923 16.525 -25.562 1.00 65.14 C ATOM 760 CD LYS A 47 20.588 15.165 -26.151 1.00 60.04 C ATOM 761 CE LYS A 47 19.088 14.915 -26.158 1.00 13.04 C ATOM 762 NZ LYS A 47 18.554 14.779 -27.541 1.00 53.31 N ATOM 0 H LYS A 47 24.137 15.911 -23.341 1.00 1.10 H new ATOM 0 HA LYS A 47 21.621 17.054 -22.810 1.00 33.11 H new ATOM 0 HB2 LYS A 47 22.734 17.452 -24.903 1.00 5.43 H new ATOM 0 HB3 LYS A 47 22.884 15.738 -25.236 1.00 5.43 H new ATOM 0 HG2 LYS A 47 20.119 16.844 -24.899 1.00 65.14 H new ATOM 0 HG3 LYS A 47 20.989 17.263 -26.362 1.00 65.14 H new ATOM 0 HD2 LYS A 47 20.973 15.103 -27.169 1.00 60.04 H new ATOM 0 HD3 LYS A 47 21.085 14.385 -25.574 1.00 60.04 H new ATOM 0 HE2 LYS A 47 18.868 14.009 -25.593 1.00 13.04 H new ATOM 0 HE3 LYS A 47 18.581 15.737 -25.652 1.00 13.04 H new ATOM 0 HZ1 LYS A 47 17.529 14.610 -27.502 1.00 53.31 H new ATOM 0 HZ2 LYS A 47 18.741 15.653 -28.073 1.00 53.31 H new ATOM 0 HZ3 LYS A 47 19.019 13.979 -28.016 1.00 53.31 H new ATOM 776 N VAL A 48 21.699 13.812 -22.961 1.00 43.32 N ATOM 777 CA VAL A 48 20.914 12.598 -22.776 1.00 23.33 C ATOM 778 C VAL A 48 20.920 12.157 -21.316 1.00 53.51 C ATOM 779 O VAL A 48 20.853 10.965 -21.017 1.00 21.33 O ATOM 780 CB VAL A 48 21.446 11.447 -23.650 1.00 24.53 C ATOM 781 CG1 VAL A 48 20.406 10.344 -23.773 1.00 15.23 C ATOM 782 CG2 VAL A 48 21.852 11.963 -25.022 1.00 1.43 C ATOM 0 H VAL A 48 22.709 13.666 -22.955 1.00 43.32 H new ATOM 0 HA VAL A 48 19.893 12.832 -23.078 1.00 23.33 H new ATOM 0 HB VAL A 48 22.330 11.028 -23.169 1.00 24.53 H new ATOM 0 HG11 VAL A 48 20.800 9.540 -24.394 1.00 15.23 H new ATOM 0 HG12 VAL A 48 20.169 9.955 -22.783 1.00 15.23 H new ATOM 0 HG13 VAL A 48 19.502 10.746 -24.230 1.00 15.23 H new ATOM 0 HG21 VAL A 48 22.225 11.136 -25.626 1.00 1.43 H new ATOM 0 HG22 VAL A 48 20.987 12.410 -25.513 1.00 1.43 H new ATOM 0 HG23 VAL A 48 22.634 12.714 -24.911 1.00 1.43 H new ATOM 792 N CYS A 49 20.999 13.127 -20.412 1.00 12.31 N ATOM 793 CA CYS A 49 21.013 12.840 -18.982 1.00 1.01 C ATOM 794 C CYS A 49 19.888 11.881 -18.609 1.00 34.23 C ATOM 795 O CYS A 49 20.117 10.781 -18.106 1.00 24.24 O ATOM 796 CB CYS A 49 20.883 14.135 -18.179 1.00 51.21 C ATOM 797 SG CYS A 49 22.332 14.528 -17.171 1.00 71.14 S ATOM 0 H CYS A 49 21.054 14.119 -20.644 1.00 12.31 H new ATOM 0 HA CYS A 49 21.965 12.366 -18.741 1.00 1.01 H new ATOM 0 HB2 CYS A 49 20.698 14.960 -18.867 1.00 51.21 H new ATOM 0 HB3 CYS A 49 20.011 14.061 -17.529 1.00 51.21 H new ATOM 0 HG CYS A 49 22.127 15.641 -16.532 1.00 71.14 H new ATOM 803 N PRO A 50 18.640 12.306 -18.859 1.00 22.13 N ATOM 804 CA PRO A 50 17.454 11.500 -18.556 1.00 13.24 C ATOM 805 C PRO A 50 17.328 10.286 -19.470 1.00 41.41 C ATOM 806 O PRO A 50 16.680 10.349 -20.514 1.00 64.40 O ATOM 807 CB PRO A 50 16.295 12.472 -18.794 1.00 71.42 C ATOM 808 CG PRO A 50 16.828 13.465 -19.768 1.00 72.12 C ATOM 809 CD PRO A 50 18.292 13.606 -19.457 1.00 22.31 C ATOM 0 HA PRO A 50 17.486 11.092 -17.546 1.00 13.24 H new ATOM 0 HB2 PRO A 50 15.421 11.956 -19.192 1.00 71.42 H new ATOM 0 HB3 PRO A 50 15.985 12.954 -17.867 1.00 71.42 H new ATOM 0 HG2 PRO A 50 16.678 13.126 -20.793 1.00 72.12 H new ATOM 0 HG3 PRO A 50 16.315 14.422 -19.670 1.00 72.12 H new ATOM 0 HD2 PRO A 50 18.876 13.804 -20.355 1.00 22.31 H new ATOM 0 HD3 PRO A 50 18.479 14.429 -18.767 1.00 22.31 H new ATOM 817 N ASN A 51 17.952 9.183 -19.070 1.00 71.02 N ATOM 818 CA ASN A 51 17.910 7.954 -19.855 1.00 14.24 C ATOM 819 C ASN A 51 16.476 7.607 -20.246 1.00 2.54 C ATOM 820 O ASN A 51 15.582 7.576 -19.400 1.00 72.32 O ATOM 821 CB ASN A 51 18.528 6.799 -19.065 1.00 64.00 C ATOM 822 CG ASN A 51 19.996 6.597 -19.390 1.00 73.02 C ATOM 823 OD1 ASN A 51 20.846 6.593 -18.499 1.00 75.44 O ATOM 824 ND2 ASN A 51 20.300 6.429 -20.672 1.00 32.31 N ATOM 0 H ASN A 51 18.492 9.115 -18.208 1.00 71.02 H new ATOM 0 HA ASN A 51 18.488 8.114 -20.765 1.00 14.24 H new ATOM 0 HB2 ASN A 51 18.418 6.992 -17.998 1.00 64.00 H new ATOM 0 HB3 ASN A 51 17.981 5.881 -19.281 1.00 64.00 H new ATOM 0 HD21 ASN A 51 21.271 6.289 -20.952 1.00 32.31 H new ATOM 0 HD22 ASN A 51 19.563 6.440 -21.377 1.00 32.31 H new ATOM 831 N ARG A 52 16.266 7.348 -21.532 1.00 31.21 N ATOM 832 CA ARG A 52 14.942 7.004 -22.035 1.00 75.13 C ATOM 833 C ARG A 52 14.962 5.651 -22.740 1.00 23.42 C ATOM 834 O ARG A 52 14.071 5.337 -23.530 1.00 42.43 O ATOM 835 CB ARG A 52 14.442 8.084 -22.997 1.00 32.23 C ATOM 836 CG ARG A 52 12.961 7.972 -23.322 1.00 23.20 C ATOM 837 CD ARG A 52 12.734 7.715 -24.804 1.00 2.15 C ATOM 838 NE ARG A 52 13.212 8.820 -25.630 1.00 42.11 N ATOM 839 CZ ARG A 52 13.505 8.700 -26.920 1.00 73.22 C ATOM 840 NH1 ARG A 52 13.368 7.529 -27.528 1.00 2.40 N ATOM 841 NH2 ARG A 52 13.934 9.752 -27.605 1.00 63.13 N ATOM 0 H ARG A 52 16.996 7.370 -22.244 1.00 31.21 H new ATOM 0 HA ARG A 52 14.263 6.941 -21.184 1.00 75.13 H new ATOM 0 HB2 ARG A 52 14.637 9.064 -22.562 1.00 32.23 H new ATOM 0 HB3 ARG A 52 15.014 8.027 -23.923 1.00 32.23 H new ATOM 0 HG2 ARG A 52 12.520 7.163 -22.740 1.00 23.20 H new ATOM 0 HG3 ARG A 52 12.452 8.890 -23.029 1.00 23.20 H new ATOM 0 HD2 ARG A 52 13.245 6.797 -25.095 1.00 2.15 H new ATOM 0 HD3 ARG A 52 11.671 7.560 -24.986 1.00 2.15 H new ATOM 0 HE ARG A 52 13.327 9.734 -25.192 1.00 42.11 H new ATOM 0 HH11 ARG A 52 13.037 6.718 -27.005 1.00 2.40 H new ATOM 0 HH12 ARG A 52 13.594 7.439 -28.519 1.00 2.40 H new ATOM 0 HH21 ARG A 52 14.039 10.654 -27.141 1.00 63.13 H new ATOM 0 HH22 ARG A 52 14.159 9.659 -28.596 1.00 63.13 H new ATOM 855 N CYS A 53 15.984 4.853 -22.448 1.00 41.53 N ATOM 856 CA CYS A 53 16.122 3.534 -23.055 1.00 13.02 C ATOM 857 C CYS A 53 15.334 2.490 -22.270 1.00 2.01 C ATOM 858 O CYS A 53 14.240 2.093 -22.670 1.00 15.50 O ATOM 859 CB CYS A 53 17.596 3.133 -23.124 1.00 31.12 C ATOM 860 SG CYS A 53 18.599 4.189 -24.196 1.00 32.43 S ATOM 0 H CYS A 53 16.729 5.097 -21.795 1.00 41.53 H new ATOM 0 HA CYS A 53 15.719 3.582 -24.067 1.00 13.02 H new ATOM 0 HB2 CYS A 53 18.014 3.153 -22.118 1.00 31.12 H new ATOM 0 HB3 CYS A 53 17.665 2.104 -23.477 1.00 31.12 H new ATOM 0 HG CYS A 53 19.830 3.771 -24.188 1.00 32.43 H new ATOM 866 N ASP A 54 15.899 2.048 -21.152 1.00 24.20 N ATOM 867 CA ASP A 54 15.251 1.049 -20.311 1.00 34.24 C ATOM 868 C ASP A 54 16.157 0.643 -19.152 1.00 75.34 C ATOM 869 O ASP A 54 15.934 1.038 -18.007 1.00 54.44 O ATOM 870 CB ASP A 54 14.878 -0.182 -21.139 1.00 13.14 C ATOM 871 CG ASP A 54 13.378 -0.356 -21.274 1.00 52.33 C ATOM 872 OD1 ASP A 54 12.655 0.660 -21.205 1.00 73.15 O ATOM 873 OD2 ASP A 54 12.927 -1.507 -21.448 1.00 71.44 O ATOM 0 H ASP A 54 16.805 2.366 -20.807 1.00 24.20 H new ATOM 0 HA ASP A 54 14.342 1.490 -19.901 1.00 34.24 H new ATOM 0 HB2 ASP A 54 15.322 -0.097 -22.131 1.00 13.14 H new ATOM 0 HB3 ASP A 54 15.304 -1.071 -20.674 1.00 13.14 H new ATOM 878 N LEU A 55 17.178 -0.150 -19.457 1.00 41.11 N ATOM 879 CA LEU A 55 18.118 -0.611 -18.441 1.00 61.23 C ATOM 880 C LEU A 55 18.953 0.548 -17.905 1.00 73.43 C ATOM 881 O LEU A 55 19.281 0.593 -16.720 1.00 54.21 O ATOM 882 CB LEU A 55 19.035 -1.691 -19.019 1.00 50.43 C ATOM 883 CG LEU A 55 19.778 -1.322 -20.304 1.00 24.42 C ATOM 884 CD1 LEU A 55 21.219 -1.806 -20.244 1.00 1.31 C ATOM 885 CD2 LEU A 55 19.068 -1.906 -21.517 1.00 2.42 C ATOM 0 H LEU A 55 17.376 -0.487 -20.399 1.00 41.11 H new ATOM 0 HA LEU A 55 17.545 -1.033 -17.616 1.00 61.23 H new ATOM 0 HB2 LEU A 55 19.771 -1.958 -18.261 1.00 50.43 H new ATOM 0 HB3 LEU A 55 18.438 -2.582 -19.211 1.00 50.43 H new ATOM 0 HG LEU A 55 19.784 -0.236 -20.399 1.00 24.42 H new ATOM 0 HD11 LEU A 55 21.733 -1.535 -21.166 1.00 1.31 H new ATOM 0 HD12 LEU A 55 21.724 -1.341 -19.397 1.00 1.31 H new ATOM 0 HD13 LEU A 55 21.234 -2.889 -20.125 1.00 1.31 H new ATOM 0 HD21 LEU A 55 19.610 -1.633 -22.422 1.00 2.42 H new ATOM 0 HD22 LEU A 55 19.031 -2.992 -21.429 1.00 2.42 H new ATOM 0 HD23 LEU A 55 18.053 -1.512 -21.569 1.00 2.42 H new ATOM 897 N ALA A 56 19.291 1.483 -18.786 1.00 42.33 N ATOM 898 CA ALA A 56 20.084 2.644 -18.401 1.00 14.41 C ATOM 899 C ALA A 56 19.264 3.611 -17.552 1.00 65.12 C ATOM 900 O ALA A 56 19.801 4.298 -16.682 1.00 53.33 O ATOM 901 CB ALA A 56 20.622 3.350 -19.637 1.00 13.01 C ATOM 0 H ALA A 56 19.028 1.459 -19.771 1.00 42.33 H new ATOM 0 HA ALA A 56 20.925 2.296 -17.801 1.00 14.41 H new ATOM 0 HB1 ALA A 56 21.212 4.215 -19.334 1.00 13.01 H new ATOM 0 HB2 ALA A 56 21.250 2.663 -20.204 1.00 13.01 H new ATOM 0 HB3 ALA A 56 19.790 3.679 -20.259 1.00 13.01 H new ATOM 907 N THR A 57 17.961 3.660 -17.811 1.00 22.15 N ATOM 908 CA THR A 57 17.068 4.544 -17.072 1.00 23.42 C ATOM 909 C THR A 57 16.856 4.045 -15.647 1.00 23.01 C ATOM 910 O THR A 57 16.856 4.829 -14.699 1.00 13.15 O ATOM 911 CB THR A 57 15.700 4.670 -17.768 1.00 62.13 C ATOM 912 OG1 THR A 57 15.882 5.009 -19.148 1.00 22.44 O ATOM 913 CG2 THR A 57 14.843 5.728 -17.090 1.00 3.02 C ATOM 0 H THR A 57 17.501 3.098 -18.527 1.00 22.15 H new ATOM 0 HA THR A 57 17.545 5.524 -17.044 1.00 23.42 H new ATOM 0 HB THR A 57 15.190 3.710 -17.694 1.00 62.13 H new ATOM 0 HG1 THR A 57 15.069 4.788 -19.649 1.00 22.44 H new ATOM 0 HG21 THR A 57 13.882 5.799 -17.599 1.00 3.02 H new ATOM 0 HG22 THR A 57 14.682 5.453 -16.048 1.00 3.02 H new ATOM 0 HG23 THR A 57 15.350 6.692 -17.137 1.00 3.02 H new ATOM 921 N ALA A 58 16.677 2.736 -15.504 1.00 30.14 N ATOM 922 CA ALA A 58 16.467 2.133 -14.193 1.00 73.44 C ATOM 923 C ALA A 58 17.759 2.114 -13.384 1.00 31.30 C ATOM 924 O ALA A 58 17.779 2.512 -12.220 1.00 10.31 O ATOM 925 CB ALA A 58 15.915 0.723 -14.344 1.00 63.41 C ATOM 0 H ALA A 58 16.673 2.073 -16.279 1.00 30.14 H new ATOM 0 HA ALA A 58 15.741 2.740 -13.653 1.00 73.44 H new ATOM 0 HB1 ALA A 58 15.763 0.284 -13.358 1.00 63.41 H new ATOM 0 HB2 ALA A 58 14.964 0.760 -14.876 1.00 63.41 H new ATOM 0 HB3 ALA A 58 16.622 0.114 -14.907 1.00 63.41 H new ATOM 931 N ALA A 59 18.836 1.647 -14.008 1.00 13.41 N ATOM 932 CA ALA A 59 20.132 1.578 -13.345 1.00 62.14 C ATOM 933 C ALA A 59 20.586 2.958 -12.880 1.00 35.50 C ATOM 934 O ALA A 59 21.342 3.081 -11.916 1.00 72.53 O ATOM 935 CB ALA A 59 21.168 0.966 -14.276 1.00 65.04 C ATOM 0 H ALA A 59 18.836 1.311 -14.971 1.00 13.41 H new ATOM 0 HA ALA A 59 20.029 0.943 -12.465 1.00 62.14 H new ATOM 0 HB1 ALA A 59 22.132 0.920 -13.768 1.00 65.04 H new ATOM 0 HB2 ALA A 59 20.857 -0.041 -14.555 1.00 65.04 H new ATOM 0 HB3 ALA A 59 21.259 1.579 -15.173 1.00 65.04 H new ATOM 941 N ASP A 60 20.120 3.992 -13.571 1.00 15.25 N ATOM 942 CA ASP A 60 20.477 5.364 -13.227 1.00 60.24 C ATOM 943 C ASP A 60 19.785 5.800 -11.940 1.00 32.01 C ATOM 944 O ASP A 60 20.422 6.330 -11.030 1.00 23.34 O ATOM 945 CB ASP A 60 20.103 6.311 -14.368 1.00 43.53 C ATOM 946 CG ASP A 60 20.492 7.748 -14.079 1.00 31.15 C ATOM 947 OD1 ASP A 60 21.385 7.961 -13.232 1.00 51.44 O ATOM 948 OD2 ASP A 60 19.902 8.659 -14.697 1.00 63.23 O ATOM 0 H ASP A 60 19.495 3.907 -14.372 1.00 15.25 H new ATOM 0 HA ASP A 60 21.555 5.404 -13.069 1.00 60.24 H new ATOM 0 HB2 ASP A 60 20.593 5.982 -15.284 1.00 43.53 H new ATOM 0 HB3 ASP A 60 19.029 6.257 -14.544 1.00 43.53 H new ATOM 953 N ARG A 61 18.477 5.574 -11.872 1.00 11.53 N ATOM 954 CA ARG A 61 17.698 5.946 -10.697 1.00 12.32 C ATOM 955 C ARG A 61 18.314 5.362 -9.429 1.00 13.02 C ATOM 956 O ARG A 61 18.300 5.993 -8.373 1.00 3.43 O ATOM 957 CB ARG A 61 16.253 5.465 -10.843 1.00 41.03 C ATOM 958 CG ARG A 61 15.272 6.576 -11.179 1.00 11.43 C ATOM 959 CD ARG A 61 15.564 7.185 -12.541 1.00 41.13 C ATOM 960 NE ARG A 61 16.171 8.509 -12.431 1.00 14.03 N ATOM 961 CZ ARG A 61 15.503 9.594 -12.055 1.00 51.23 C ATOM 962 NH1 ARG A 61 14.214 9.513 -11.756 1.00 31.04 N ATOM 963 NH2 ARG A 61 16.125 10.764 -11.979 1.00 33.14 N ATOM 0 H ARG A 61 17.935 5.135 -12.616 1.00 11.53 H new ATOM 0 HA ARG A 61 17.705 7.033 -10.617 1.00 12.32 H new ATOM 0 HB2 ARG A 61 16.209 4.705 -11.623 1.00 41.03 H new ATOM 0 HB3 ARG A 61 15.943 4.987 -9.914 1.00 41.03 H new ATOM 0 HG2 ARG A 61 14.256 6.182 -11.166 1.00 11.43 H new ATOM 0 HG3 ARG A 61 15.323 7.351 -10.414 1.00 11.43 H new ATOM 0 HD2 ARG A 61 16.231 6.526 -13.097 1.00 41.13 H new ATOM 0 HD3 ARG A 61 14.638 7.257 -13.112 1.00 41.13 H new ATOM 0 HE ARG A 61 17.161 8.606 -12.655 1.00 14.03 H new ATOM 0 HH11 ARG A 61 13.732 8.616 -11.814 1.00 31.04 H new ATOM 0 HH12 ARG A 61 13.704 10.348 -11.468 1.00 31.04 H new ATOM 0 HH21 ARG A 61 17.116 10.830 -12.209 1.00 33.14 H new ATOM 0 HH22 ARG A 61 15.612 11.597 -11.690 1.00 33.14 H new ATOM 977 N ALA A 62 18.852 4.152 -9.542 1.00 2.31 N ATOM 978 CA ALA A 62 19.474 3.484 -8.406 1.00 20.32 C ATOM 979 C ALA A 62 20.923 3.926 -8.234 1.00 42.22 C ATOM 980 O ALA A 62 21.342 4.302 -7.140 1.00 31.23 O ATOM 981 CB ALA A 62 19.398 1.974 -8.576 1.00 31.43 C ATOM 0 H ALA A 62 18.869 3.615 -10.409 1.00 2.31 H new ATOM 0 HA ALA A 62 18.927 3.766 -7.507 1.00 20.32 H new ATOM 0 HB1 ALA A 62 19.866 1.488 -7.720 1.00 31.43 H new ATOM 0 HB2 ALA A 62 18.354 1.667 -8.641 1.00 31.43 H new ATOM 0 HB3 ALA A 62 19.919 1.684 -9.488 1.00 31.43 H new ATOM 987 N ALA A 63 21.684 3.878 -9.323 1.00 4.54 N ATOM 988 CA ALA A 63 23.087 4.276 -9.292 1.00 75.22 C ATOM 989 C ALA A 63 23.248 5.674 -8.706 1.00 42.20 C ATOM 990 O ALA A 63 24.290 6.005 -8.139 1.00 60.32 O ATOM 991 CB ALA A 63 23.683 4.215 -10.691 1.00 14.43 C ATOM 0 H ALA A 63 21.353 3.568 -10.237 1.00 4.54 H new ATOM 0 HA ALA A 63 23.624 3.578 -8.650 1.00 75.22 H new ATOM 0 HB1 ALA A 63 24.730 4.514 -10.654 1.00 14.43 H new ATOM 0 HB2 ALA A 63 23.610 3.197 -11.073 1.00 14.43 H new ATOM 0 HB3 ALA A 63 23.136 4.890 -11.349 1.00 14.43 H new ATOM 997 N LYS A 64 22.211 6.493 -8.847 1.00 3.14 N ATOM 998 CA LYS A 64 22.237 7.857 -8.331 1.00 22.42 C ATOM 999 C LYS A 64 22.444 7.863 -6.820 1.00 24.14 C ATOM 1000 O LYS A 64 22.825 8.879 -6.240 1.00 33.14 O ATOM 1001 CB LYS A 64 20.935 8.581 -8.681 1.00 3.03 C ATOM 1002 CG LYS A 64 20.952 9.233 -10.052 1.00 50.33 C ATOM 1003 CD LYS A 64 21.997 10.333 -10.134 1.00 11.51 C ATOM 1004 CE LYS A 64 21.779 11.390 -9.061 1.00 70.24 C ATOM 1005 NZ LYS A 64 22.628 12.593 -9.287 1.00 34.50 N ATOM 0 H LYS A 64 21.342 6.236 -9.315 1.00 3.14 H new ATOM 0 HA LYS A 64 23.073 8.379 -8.797 1.00 22.42 H new ATOM 0 HB2 LYS A 64 20.110 7.870 -8.636 1.00 3.03 H new ATOM 0 HB3 LYS A 64 20.739 9.344 -7.927 1.00 3.03 H new ATOM 0 HG2 LYS A 64 21.156 8.479 -10.812 1.00 50.33 H new ATOM 0 HG3 LYS A 64 19.968 9.648 -10.271 1.00 50.33 H new ATOM 0 HD2 LYS A 64 22.991 9.901 -10.024 1.00 11.51 H new ATOM 0 HD3 LYS A 64 21.960 10.799 -11.119 1.00 11.51 H new ATOM 0 HE2 LYS A 64 20.729 11.683 -9.048 1.00 70.24 H new ATOM 0 HE3 LYS A 64 22.003 10.966 -8.082 1.00 70.24 H new ATOM 0 HZ1 LYS A 64 22.450 13.289 -8.535 1.00 34.50 H new ATOM 0 HZ2 LYS A 64 23.631 12.318 -9.274 1.00 34.50 H new ATOM 0 HZ3 LYS A 64 22.396 13.013 -10.210 1.00 34.50 H new ATOM 1019 N GLY A 65 22.193 6.720 -6.187 1.00 53.53 N ATOM 1020 CA GLY A 65 22.359 6.616 -4.749 1.00 52.24 C ATOM 1021 C GLY A 65 21.036 6.489 -4.021 1.00 33.42 C ATOM 1022 O GLY A 65 20.957 6.729 -2.816 1.00 61.14 O ATOM 0 H GLY A 65 21.878 5.865 -6.645 1.00 53.53 H new ATOM 0 HA2 GLY A 65 22.981 5.751 -4.520 1.00 52.24 H new ATOM 0 HA3 GLY A 65 22.889 7.495 -4.383 1.00 52.24 H new ATOM 1026 N ALA A 66 19.993 6.111 -4.753 1.00 32.22 N ATOM 1027 CA ALA A 66 18.667 5.952 -4.169 1.00 30.34 C ATOM 1028 C ALA A 66 18.296 7.158 -3.312 1.00 21.50 C ATOM 1029 O ALA A 66 18.182 7.052 -2.091 1.00 2.14 O ATOM 1030 CB ALA A 66 18.604 4.676 -3.342 1.00 60.54 C ATOM 0 H ALA A 66 20.041 5.909 -5.752 1.00 32.22 H new ATOM 0 HA ALA A 66 17.945 5.881 -4.983 1.00 30.34 H new ATOM 0 HB1 ALA A 66 17.608 4.570 -2.912 1.00 60.54 H new ATOM 0 HB2 ALA A 66 18.817 3.818 -3.980 1.00 60.54 H new ATOM 0 HB3 ALA A 66 19.342 4.725 -2.541 1.00 60.54 H new ATOM 1036 N TYR A 67 18.110 8.302 -3.960 1.00 13.25 N ATOM 1037 CA TYR A 67 17.755 9.529 -3.256 1.00 52.12 C ATOM 1038 C TYR A 67 16.586 9.293 -2.304 1.00 61.14 C ATOM 1039 O TYR A 67 16.493 9.919 -1.249 1.00 64.24 O ATOM 1040 CB TYR A 67 17.398 10.630 -4.256 1.00 51.13 C ATOM 1041 CG TYR A 67 18.051 11.959 -3.952 1.00 11.50 C ATOM 1042 CD1 TYR A 67 19.434 12.085 -3.920 1.00 41.51 C ATOM 1043 CD2 TYR A 67 17.284 13.090 -3.697 1.00 61.02 C ATOM 1044 CE1 TYR A 67 20.035 13.298 -3.642 1.00 33.14 C ATOM 1045 CE2 TYR A 67 17.876 14.307 -3.419 1.00 62.14 C ATOM 1046 CZ TYR A 67 19.252 14.406 -3.392 1.00 74.42 C ATOM 1047 OH TYR A 67 19.846 15.615 -3.116 1.00 1.51 O ATOM 0 H TYR A 67 18.199 8.406 -4.971 1.00 13.25 H new ATOM 0 HA TYR A 67 18.619 9.844 -2.671 1.00 52.12 H new ATOM 0 HB2 TYR A 67 17.692 10.310 -5.256 1.00 51.13 H new ATOM 0 HB3 TYR A 67 16.316 10.761 -4.269 1.00 51.13 H new ATOM 0 HD1 TYR A 67 20.050 11.220 -4.116 1.00 41.51 H new ATOM 0 HD2 TYR A 67 16.207 13.016 -3.717 1.00 61.02 H new ATOM 0 HE1 TYR A 67 21.112 13.378 -3.621 1.00 33.14 H new ATOM 0 HE2 TYR A 67 17.265 15.176 -3.224 1.00 62.14 H new ATOM 0 HH TYR A 67 19.154 16.292 -2.965 1.00 1.51 H new ATOM 1057 N GLY A 68 15.695 8.383 -2.686 1.00 72.12 N ATOM 1058 CA GLY A 68 14.544 8.078 -1.857 1.00 13.33 C ATOM 1059 C GLY A 68 13.502 9.179 -1.884 1.00 10.12 C ATOM 1060 O GLY A 68 13.337 9.862 -2.895 1.00 10.54 O ATOM 0 H GLY A 68 15.750 7.852 -3.555 1.00 72.12 H new ATOM 0 HA2 GLY A 68 14.092 7.146 -2.197 1.00 13.33 H new ATOM 0 HA3 GLY A 68 14.872 7.918 -0.830 1.00 13.33 H new ATOM 1064 N TYR A 69 12.796 9.351 -0.772 1.00 22.23 N ATOM 1065 CA TYR A 69 11.762 10.374 -0.673 1.00 72.32 C ATOM 1066 C TYR A 69 10.786 10.276 -1.842 1.00 44.52 C ATOM 1067 O TYR A 69 10.951 10.949 -2.860 1.00 52.22 O ATOM 1068 CB TYR A 69 12.394 11.766 -0.636 1.00 51.14 C ATOM 1069 CG TYR A 69 12.700 12.256 0.761 1.00 33.41 C ATOM 1070 CD1 TYR A 69 11.714 12.282 1.740 1.00 11.40 C ATOM 1071 CD2 TYR A 69 13.974 12.692 1.103 1.00 53.14 C ATOM 1072 CE1 TYR A 69 11.988 12.729 3.018 1.00 3.31 C ATOM 1073 CE2 TYR A 69 14.258 13.139 2.378 1.00 15.24 C ATOM 1074 CZ TYR A 69 13.262 13.156 3.332 1.00 14.25 C ATOM 1075 OH TYR A 69 13.540 13.602 4.604 1.00 10.31 O ATOM 0 H TYR A 69 12.921 8.795 0.074 1.00 22.23 H new ATOM 0 HA TYR A 69 11.210 10.209 0.252 1.00 72.32 H new ATOM 0 HB2 TYR A 69 13.316 11.753 -1.217 1.00 51.14 H new ATOM 0 HB3 TYR A 69 11.722 12.474 -1.121 1.00 51.14 H new ATOM 0 HD1 TYR A 69 10.716 11.947 1.497 1.00 11.40 H new ATOM 0 HD2 TYR A 69 14.756 12.681 0.358 1.00 53.14 H new ATOM 0 HE1 TYR A 69 11.210 12.744 3.767 1.00 3.31 H new ATOM 0 HE2 TYR A 69 15.254 13.473 2.627 1.00 15.24 H new ATOM 0 HH TYR A 69 14.482 13.865 4.660 1.00 10.31 H new ATOM 1085 N ASP A 70 9.770 9.435 -1.688 1.00 23.23 N ATOM 1086 CA ASP A 70 8.766 9.249 -2.729 1.00 0.33 C ATOM 1087 C ASP A 70 7.370 9.141 -2.124 1.00 12.34 C ATOM 1088 O ASP A 70 7.096 8.246 -1.324 1.00 74.15 O ATOM 1089 CB ASP A 70 9.077 7.997 -3.550 1.00 45.54 C ATOM 1090 CG ASP A 70 8.893 8.221 -5.038 1.00 72.04 C ATOM 1091 OD1 ASP A 70 7.931 8.921 -5.418 1.00 2.10 O ATOM 1092 OD2 ASP A 70 9.710 7.695 -5.824 1.00 14.14 O ATOM 0 H ASP A 70 9.620 8.871 -0.852 1.00 23.23 H new ATOM 0 HA ASP A 70 8.793 10.120 -3.384 1.00 0.33 H new ATOM 0 HB2 ASP A 70 10.103 7.685 -3.357 1.00 45.54 H new ATOM 0 HB3 ASP A 70 8.429 7.183 -3.225 1.00 45.54 H new ATOM 1097 N VAL A 71 6.490 10.061 -2.509 1.00 64.43 N ATOM 1098 CA VAL A 71 5.122 10.069 -2.005 1.00 64.01 C ATOM 1099 C VAL A 71 4.420 8.748 -2.299 1.00 24.13 C ATOM 1100 O VAL A 71 3.500 8.352 -1.585 1.00 34.31 O ATOM 1101 CB VAL A 71 4.305 11.220 -2.620 1.00 55.04 C ATOM 1102 CG1 VAL A 71 4.061 10.970 -4.101 1.00 15.02 C ATOM 1103 CG2 VAL A 71 2.989 11.395 -1.877 1.00 0.11 C ATOM 0 H VAL A 71 6.701 10.810 -3.168 1.00 64.43 H new ATOM 0 HA VAL A 71 5.183 10.212 -0.926 1.00 64.01 H new ATOM 0 HB VAL A 71 4.878 12.142 -2.521 1.00 55.04 H new ATOM 0 HG11 VAL A 71 3.482 11.794 -4.519 1.00 15.02 H new ATOM 0 HG12 VAL A 71 5.017 10.898 -4.620 1.00 15.02 H new ATOM 0 HG13 VAL A 71 3.509 10.038 -4.227 1.00 15.02 H new ATOM 0 HG21 VAL A 71 2.424 12.213 -2.325 1.00 0.11 H new ATOM 0 HG22 VAL A 71 2.409 10.475 -1.943 1.00 0.11 H new ATOM 0 HG23 VAL A 71 3.190 11.623 -0.830 1.00 0.11 H new ATOM 1113 N GLN A 72 4.863 8.071 -3.353 1.00 74.34 N ATOM 1114 CA GLN A 72 4.276 6.793 -3.741 1.00 50.43 C ATOM 1115 C GLN A 72 5.015 6.195 -4.933 1.00 60.44 C ATOM 1116 O GLN A 72 4.396 5.723 -5.888 1.00 52.22 O ATOM 1117 CB GLN A 72 2.795 6.970 -4.081 1.00 10.52 C ATOM 1118 CG GLN A 72 1.931 5.790 -3.669 1.00 31.43 C ATOM 1119 CD GLN A 72 0.912 6.154 -2.607 1.00 2.21 C ATOM 1120 OE1 GLN A 72 -0.288 6.217 -2.877 1.00 4.21 O ATOM 1121 NE2 GLN A 72 1.386 6.397 -1.390 1.00 72.23 N ATOM 0 H GLN A 72 5.625 8.385 -3.953 1.00 74.34 H new ATOM 0 HA GLN A 72 4.369 6.108 -2.898 1.00 50.43 H new ATOM 0 HB2 GLN A 72 2.423 7.870 -3.591 1.00 10.52 H new ATOM 0 HB3 GLN A 72 2.694 7.126 -5.155 1.00 10.52 H new ATOM 0 HG2 GLN A 72 1.413 5.401 -4.545 1.00 31.43 H new ATOM 0 HG3 GLN A 72 2.570 4.990 -3.295 1.00 31.43 H new ATOM 0 HE21 GLN A 72 2.388 6.333 -1.211 1.00 72.23 H new ATOM 0 HE22 GLN A 72 0.748 6.647 -0.635 1.00 72.23 H new ATOM 1130 N LEU A 73 6.342 6.216 -4.872 1.00 52.42 N ATOM 1131 CA LEU A 73 7.166 5.676 -5.947 1.00 64.43 C ATOM 1132 C LEU A 73 6.752 6.256 -7.296 1.00 31.42 C ATOM 1133 O LEU A 73 6.686 5.542 -8.298 1.00 4.34 O ATOM 1134 CB LEU A 73 7.059 4.150 -5.981 1.00 2.12 C ATOM 1135 CG LEU A 73 7.458 3.421 -4.697 1.00 73.12 C ATOM 1136 CD1 LEU A 73 8.700 4.052 -4.089 1.00 25.13 C ATOM 1137 CD2 LEU A 73 6.309 3.431 -3.699 1.00 51.23 C ATOM 0 H LEU A 73 6.870 6.601 -4.089 1.00 52.42 H new ATOM 0 HA LEU A 73 8.201 5.958 -5.754 1.00 64.43 H new ATOM 0 HB2 LEU A 73 6.030 3.883 -6.222 1.00 2.12 H new ATOM 0 HB3 LEU A 73 7.683 3.780 -6.794 1.00 2.12 H new ATOM 0 HG LEU A 73 7.687 2.385 -4.946 1.00 73.12 H new ATOM 0 HD11 LEU A 73 8.969 3.520 -3.176 1.00 25.13 H new ATOM 0 HD12 LEU A 73 9.524 3.992 -4.800 1.00 25.13 H new ATOM 0 HD13 LEU A 73 8.499 5.097 -3.854 1.00 25.13 H new ATOM 0 HD21 LEU A 73 6.611 2.908 -2.792 1.00 51.23 H new ATOM 0 HD22 LEU A 73 6.048 4.461 -3.455 1.00 51.23 H new ATOM 0 HD23 LEU A 73 5.444 2.931 -4.135 1.00 51.23 H new ATOM 1149 N THR A 74 6.474 7.556 -7.315 1.00 65.30 N ATOM 1150 CA THR A 74 6.068 8.232 -8.540 1.00 54.31 C ATOM 1151 C THR A 74 7.266 8.506 -9.441 1.00 4.41 C ATOM 1152 O THR A 74 7.119 8.689 -10.650 1.00 65.30 O ATOM 1153 CB THR A 74 5.353 9.563 -8.236 1.00 63.23 C ATOM 1154 OG1 THR A 74 4.257 9.337 -7.343 1.00 40.41 O ATOM 1155 CG2 THR A 74 4.846 10.209 -9.517 1.00 3.34 C ATOM 0 H THR A 74 6.523 8.161 -6.495 1.00 65.30 H new ATOM 0 HA THR A 74 5.376 7.565 -9.054 1.00 54.31 H new ATOM 0 HB THR A 74 6.070 10.237 -7.767 1.00 63.23 H new ATOM 0 HG1 THR A 74 3.809 10.188 -7.153 1.00 40.41 H new ATOM 0 HG21 THR A 74 4.345 11.147 -9.278 1.00 3.34 H new ATOM 0 HG22 THR A 74 5.686 10.406 -10.182 1.00 3.34 H new ATOM 0 HG23 THR A 74 4.143 9.537 -10.010 1.00 3.34 H new ATOM 1163 N THR A 75 8.455 8.534 -8.845 1.00 74.33 N ATOM 1164 CA THR A 75 9.679 8.786 -9.594 1.00 23.01 C ATOM 1165 C THR A 75 9.934 7.686 -10.619 1.00 14.53 C ATOM 1166 O THR A 75 10.189 7.964 -11.791 1.00 70.54 O ATOM 1167 CB THR A 75 10.898 8.892 -8.658 1.00 62.31 C ATOM 1168 OG1 THR A 75 11.158 7.623 -8.046 1.00 53.24 O ATOM 1169 CG2 THR A 75 10.665 9.941 -7.582 1.00 13.12 C ATOM 0 H THR A 75 8.595 8.385 -7.846 1.00 74.33 H new ATOM 0 HA THR A 75 9.543 9.736 -10.111 1.00 23.01 H new ATOM 0 HB THR A 75 11.760 9.191 -9.254 1.00 62.31 H new ATOM 0 HG1 THR A 75 10.512 7.469 -7.325 1.00 53.24 H new ATOM 0 HG21 THR A 75 11.539 9.997 -6.934 1.00 13.12 H new ATOM 0 HG22 THR A 75 10.497 10.911 -8.050 1.00 13.12 H new ATOM 0 HG23 THR A 75 9.791 9.667 -6.990 1.00 13.12 H new ATOM 1177 N LEU A 76 9.862 6.438 -10.170 1.00 52.21 N ATOM 1178 CA LEU A 76 10.084 5.295 -11.049 1.00 53.32 C ATOM 1179 C LEU A 76 8.891 5.082 -11.976 1.00 65.04 C ATOM 1180 O LEU A 76 9.055 4.729 -13.144 1.00 73.35 O ATOM 1181 CB LEU A 76 10.334 4.032 -10.223 1.00 42.41 C ATOM 1182 CG LEU A 76 11.799 3.674 -9.973 1.00 24.30 C ATOM 1183 CD1 LEU A 76 12.068 3.535 -8.483 1.00 30.24 C ATOM 1184 CD2 LEU A 76 12.167 2.391 -10.705 1.00 12.02 C ATOM 0 H LEU A 76 9.652 6.192 -9.203 1.00 52.21 H new ATOM 0 HA LEU A 76 10.963 5.502 -11.659 1.00 53.32 H new ATOM 0 HB2 LEU A 76 9.839 4.149 -9.259 1.00 42.41 H new ATOM 0 HB3 LEU A 76 9.856 3.192 -10.727 1.00 42.41 H new ATOM 0 HG LEU A 76 12.421 4.481 -10.360 1.00 24.30 H new ATOM 0 HD11 LEU A 76 13.116 3.280 -8.325 1.00 30.24 H new ATOM 0 HD12 LEU A 76 11.844 4.478 -7.983 1.00 30.24 H new ATOM 0 HD13 LEU A 76 11.437 2.748 -8.071 1.00 30.24 H new ATOM 0 HD21 LEU A 76 13.213 2.151 -10.516 1.00 12.02 H new ATOM 0 HD22 LEU A 76 11.538 1.575 -10.349 1.00 12.02 H new ATOM 0 HD23 LEU A 76 12.014 2.526 -11.776 1.00 12.02 H new ATOM 1196 N LYS A 77 7.692 5.301 -11.449 1.00 32.11 N ATOM 1197 CA LYS A 77 6.471 5.137 -12.229 1.00 31.41 C ATOM 1198 C LYS A 77 6.381 6.191 -13.327 1.00 52.32 C ATOM 1199 O LYS A 77 5.834 5.938 -14.400 1.00 33.53 O ATOM 1200 CB LYS A 77 5.244 5.227 -11.319 1.00 32.51 C ATOM 1201 CG LYS A 77 4.288 4.055 -11.469 1.00 2.42 C ATOM 1202 CD LYS A 77 4.939 2.748 -11.050 1.00 32.32 C ATOM 1203 CE LYS A 77 5.334 2.767 -9.581 1.00 40.22 C ATOM 1204 NZ LYS A 77 6.810 2.857 -9.405 1.00 70.01 N ATOM 0 H LYS A 77 7.539 5.593 -10.484 1.00 32.11 H new ATOM 0 HA LYS A 77 6.498 4.153 -12.696 1.00 31.41 H new ATOM 0 HB2 LYS A 77 5.575 5.285 -10.282 1.00 32.51 H new ATOM 0 HB3 LYS A 77 4.709 6.152 -11.535 1.00 32.51 H new ATOM 0 HG2 LYS A 77 3.399 4.230 -10.864 1.00 2.42 H new ATOM 0 HG3 LYS A 77 3.959 3.983 -12.506 1.00 2.42 H new ATOM 0 HD2 LYS A 77 4.251 1.923 -11.232 1.00 32.32 H new ATOM 0 HD3 LYS A 77 5.822 2.567 -11.663 1.00 32.32 H new ATOM 0 HE2 LYS A 77 4.857 3.614 -9.088 1.00 40.22 H new ATOM 0 HE3 LYS A 77 4.964 1.865 -9.094 1.00 40.22 H new ATOM 0 HZ1 LYS A 77 7.052 2.681 -8.409 1.00 70.01 H new ATOM 0 HZ2 LYS A 77 7.275 2.147 -10.005 1.00 70.01 H new ATOM 0 HZ3 LYS A 77 7.135 3.807 -9.677 1.00 70.01 H new ATOM 1218 N GLU A 78 6.922 7.374 -13.052 1.00 23.21 N ATOM 1219 CA GLU A 78 6.903 8.466 -14.018 1.00 73.30 C ATOM 1220 C GLU A 78 7.918 8.225 -15.132 1.00 13.02 C ATOM 1221 O GLU A 78 7.701 8.616 -16.279 1.00 32.10 O ATOM 1222 CB GLU A 78 7.198 9.797 -13.323 1.00 72.40 C ATOM 1223 CG GLU A 78 7.154 10.994 -14.257 1.00 53.03 C ATOM 1224 CD GLU A 78 6.322 12.135 -13.705 1.00 33.15 C ATOM 1225 OE1 GLU A 78 5.123 11.917 -13.429 1.00 65.10 O ATOM 1226 OE2 GLU A 78 6.870 13.246 -13.547 1.00 53.13 O ATOM 0 H GLU A 78 7.379 7.600 -12.168 1.00 23.21 H new ATOM 0 HA GLU A 78 5.908 8.508 -14.460 1.00 73.30 H new ATOM 0 HB2 GLU A 78 6.476 9.946 -12.521 1.00 72.40 H new ATOM 0 HB3 GLU A 78 8.183 9.745 -12.859 1.00 72.40 H new ATOM 0 HG2 GLU A 78 8.170 11.345 -14.439 1.00 53.03 H new ATOM 0 HG3 GLU A 78 6.746 10.684 -15.219 1.00 53.03 H new ATOM 1233 N ASP A 79 9.026 7.580 -14.785 1.00 31.12 N ATOM 1234 CA ASP A 79 10.075 7.286 -15.754 1.00 51.12 C ATOM 1235 C ASP A 79 9.642 6.172 -16.703 1.00 10.43 C ATOM 1236 O ASP A 79 9.769 6.297 -17.921 1.00 50.41 O ATOM 1237 CB ASP A 79 11.366 6.888 -15.036 1.00 55.42 C ATOM 1238 CG ASP A 79 12.489 7.877 -15.276 1.00 5.34 C ATOM 1239 OD1 ASP A 79 13.006 7.924 -16.411 1.00 62.13 O ATOM 1240 OD2 ASP A 79 12.853 8.604 -14.327 1.00 60.10 O ATOM 0 H ASP A 79 9.221 7.251 -13.840 1.00 31.12 H new ATOM 0 HA ASP A 79 10.257 8.187 -16.339 1.00 51.12 H new ATOM 0 HB2 ASP A 79 11.175 6.812 -13.966 1.00 55.42 H new ATOM 0 HB3 ASP A 79 11.677 5.900 -15.375 1.00 55.42 H new ATOM 1245 N ILE A 80 9.132 5.084 -16.136 1.00 12.43 N ATOM 1246 CA ILE A 80 8.681 3.949 -16.931 1.00 15.31 C ATOM 1247 C ILE A 80 7.625 4.374 -17.946 1.00 13.22 C ATOM 1248 O ILE A 80 7.629 3.918 -19.089 1.00 73.41 O ATOM 1249 CB ILE A 80 8.102 2.833 -16.041 1.00 54.43 C ATOM 1250 CG1 ILE A 80 7.572 1.686 -16.904 1.00 54.54 C ATOM 1251 CG2 ILE A 80 7.000 3.385 -15.149 1.00 54.23 C ATOM 1252 CD1 ILE A 80 8.618 1.082 -17.814 1.00 73.25 C ATOM 0 H ILE A 80 9.021 4.965 -15.129 1.00 12.43 H new ATOM 0 HA ILE A 80 9.555 3.566 -17.458 1.00 15.31 H new ATOM 0 HB ILE A 80 8.898 2.446 -15.405 1.00 54.43 H new ATOM 0 HG12 ILE A 80 7.174 0.907 -16.254 1.00 54.54 H new ATOM 0 HG13 ILE A 80 6.742 2.051 -17.509 1.00 54.54 H new ATOM 0 HG21 ILE A 80 6.601 2.584 -14.526 1.00 54.23 H new ATOM 0 HG22 ILE A 80 7.406 4.171 -14.513 1.00 54.23 H new ATOM 0 HG23 ILE A 80 6.202 3.795 -15.768 1.00 54.23 H new ATOM 0 HD11 ILE A 80 8.172 0.275 -18.396 1.00 73.25 H new ATOM 0 HD12 ILE A 80 8.999 1.848 -18.489 1.00 73.25 H new ATOM 0 HD13 ILE A 80 9.438 0.686 -17.214 1.00 73.25 H new ATOM 1264 N ARG A 81 6.722 5.252 -17.520 1.00 45.44 N ATOM 1265 CA ARG A 81 5.661 5.740 -18.392 1.00 75.02 C ATOM 1266 C ARG A 81 6.209 6.731 -19.415 1.00 14.45 C ATOM 1267 O ARG A 81 5.717 6.813 -20.541 1.00 43.51 O ATOM 1268 CB ARG A 81 4.556 6.402 -17.566 1.00 23.54 C ATOM 1269 CG ARG A 81 4.997 7.682 -16.875 1.00 34.10 C ATOM 1270 CD ARG A 81 3.829 8.377 -16.193 1.00 55.23 C ATOM 1271 NE ARG A 81 3.423 7.692 -14.969 1.00 12.31 N ATOM 1272 CZ ARG A 81 2.276 7.928 -14.341 1.00 24.34 C ATOM 1273 NH1 ARG A 81 1.426 8.826 -14.819 1.00 64.43 N ATOM 1274 NH2 ARG A 81 1.978 7.264 -13.231 1.00 70.32 N ATOM 0 H ARG A 81 6.704 5.639 -16.577 1.00 45.44 H new ATOM 0 HA ARG A 81 5.244 4.886 -18.926 1.00 75.02 H new ATOM 0 HB2 ARG A 81 3.710 6.623 -18.217 1.00 23.54 H new ATOM 0 HB3 ARG A 81 4.203 5.696 -16.814 1.00 23.54 H new ATOM 0 HG2 ARG A 81 5.766 7.452 -16.138 1.00 34.10 H new ATOM 0 HG3 ARG A 81 5.446 8.355 -17.605 1.00 34.10 H new ATOM 0 HD2 ARG A 81 4.106 9.405 -15.958 1.00 55.23 H new ATOM 0 HD3 ARG A 81 2.984 8.423 -16.880 1.00 55.23 H new ATOM 0 HE ARG A 81 4.054 6.994 -14.575 1.00 12.31 H new ATOM 0 HH11 ARG A 81 1.651 9.338 -15.672 1.00 64.43 H new ATOM 0 HH12 ARG A 81 0.546 9.004 -14.334 1.00 64.43 H new ATOM 0 HH21 ARG A 81 2.630 6.572 -12.860 1.00 70.32 H new ATOM 0 HH22 ARG A 81 1.098 7.445 -12.749 1.00 70.32 H new ATOM 1288 N LEU A 82 7.228 7.483 -19.014 1.00 64.33 N ATOM 1289 CA LEU A 82 7.844 8.470 -19.895 1.00 73.51 C ATOM 1290 C LEU A 82 8.523 7.792 -21.081 1.00 5.42 C ATOM 1291 O LEU A 82 8.364 8.216 -22.225 1.00 44.40 O ATOM 1292 CB LEU A 82 8.861 9.309 -19.121 1.00 1.33 C ATOM 1293 CG LEU A 82 9.387 10.554 -19.836 1.00 1.20 C ATOM 1294 CD1 LEU A 82 10.398 10.169 -20.904 1.00 64.34 C ATOM 1295 CD2 LEU A 82 8.238 11.344 -20.446 1.00 64.14 C ATOM 0 H LEU A 82 7.645 7.428 -18.085 1.00 64.33 H new ATOM 0 HA LEU A 82 7.058 9.123 -20.275 1.00 73.51 H new ATOM 0 HB2 LEU A 82 8.405 9.620 -18.181 1.00 1.33 H new ATOM 0 HB3 LEU A 82 9.710 8.673 -18.869 1.00 1.33 H new ATOM 0 HG LEU A 82 9.887 11.187 -19.103 1.00 1.20 H new ATOM 0 HD11 LEU A 82 10.761 11.068 -21.402 1.00 64.34 H new ATOM 0 HD12 LEU A 82 11.235 9.647 -20.441 1.00 64.34 H new ATOM 0 HD13 LEU A 82 9.923 9.515 -21.636 1.00 64.34 H new ATOM 0 HD21 LEU A 82 8.631 12.227 -20.951 1.00 64.14 H new ATOM 0 HD22 LEU A 82 7.709 10.720 -21.166 1.00 64.14 H new ATOM 0 HD23 LEU A 82 7.550 11.652 -19.659 1.00 64.14 H new ATOM 1307 N MET A 83 9.280 6.736 -20.799 1.00 13.52 N ATOM 1308 CA MET A 83 9.981 5.998 -21.843 1.00 11.40 C ATOM 1309 C MET A 83 8.997 5.424 -22.857 1.00 33.31 C ATOM 1310 O MET A 83 9.130 5.644 -24.061 1.00 5.24 O ATOM 1311 CB MET A 83 10.815 4.872 -21.229 1.00 54.11 C ATOM 1312 CG MET A 83 12.146 5.340 -20.665 1.00 23.01 C ATOM 1313 SD MET A 83 12.993 4.054 -19.726 1.00 42.33 S ATOM 1314 CE MET A 83 11.971 3.979 -18.257 1.00 44.02 C ATOM 0 H MET A 83 9.423 6.373 -19.857 1.00 13.52 H new ATOM 0 HA MET A 83 10.645 6.691 -22.360 1.00 11.40 H new ATOM 0 HB2 MET A 83 10.240 4.397 -20.434 1.00 54.11 H new ATOM 0 HB3 MET A 83 10.999 4.112 -21.988 1.00 54.11 H new ATOM 0 HG2 MET A 83 12.787 5.669 -21.483 1.00 23.01 H new ATOM 0 HG3 MET A 83 11.980 6.204 -20.022 1.00 23.01 H new ATOM 0 HE1 MET A 83 12.461 3.361 -17.504 1.00 44.02 H new ATOM 0 HE2 MET A 83 11.826 4.985 -17.863 1.00 44.02 H new ATOM 0 HE3 MET A 83 11.003 3.545 -18.509 1.00 44.02 H new ATOM 1324 N VAL A 84 8.008 4.685 -22.362 1.00 50.44 N ATOM 1325 CA VAL A 84 7.001 4.080 -23.225 1.00 71.34 C ATOM 1326 C VAL A 84 6.228 5.143 -23.998 1.00 32.32 C ATOM 1327 O VAL A 84 5.827 4.925 -25.140 1.00 53.42 O ATOM 1328 CB VAL A 84 6.008 3.226 -22.415 1.00 72.41 C ATOM 1329 CG1 VAL A 84 5.286 4.080 -21.384 1.00 25.44 C ATOM 1330 CG2 VAL A 84 5.014 2.542 -23.342 1.00 21.30 C ATOM 0 H VAL A 84 7.883 4.491 -21.368 1.00 50.44 H new ATOM 0 HA VAL A 84 7.532 3.438 -23.928 1.00 71.34 H new ATOM 0 HB VAL A 84 6.567 2.455 -21.886 1.00 72.41 H new ATOM 0 HG11 VAL A 84 4.589 3.459 -20.821 1.00 25.44 H new ATOM 0 HG12 VAL A 84 6.014 4.519 -20.701 1.00 25.44 H new ATOM 0 HG13 VAL A 84 4.738 4.875 -21.890 1.00 25.44 H new ATOM 0 HG21 VAL A 84 4.320 1.943 -22.753 1.00 21.30 H new ATOM 0 HG22 VAL A 84 4.459 3.296 -23.900 1.00 21.30 H new ATOM 0 HG23 VAL A 84 5.550 1.897 -24.038 1.00 21.30 H new ATOM 1340 N ASN A 85 6.023 6.294 -23.366 1.00 34.35 N ATOM 1341 CA ASN A 85 5.297 7.392 -23.994 1.00 20.14 C ATOM 1342 C ASN A 85 6.030 7.888 -25.236 1.00 41.11 C ATOM 1343 O ASN A 85 5.468 7.917 -26.330 1.00 45.32 O ATOM 1344 CB ASN A 85 5.114 8.543 -23.002 1.00 70.31 C ATOM 1345 CG ASN A 85 3.932 8.326 -22.077 1.00 3.14 C ATOM 1346 OD1 ASN A 85 2.976 7.633 -22.424 1.00 63.33 O ATOM 1347 ND2 ASN A 85 3.993 8.921 -20.891 1.00 30.42 N ATOM 0 H ASN A 85 6.349 6.491 -22.420 1.00 34.35 H new ATOM 0 HA ASN A 85 4.317 7.022 -24.296 1.00 20.14 H new ATOM 0 HB2 ASN A 85 6.021 8.655 -22.408 1.00 70.31 H new ATOM 0 HB3 ASN A 85 4.976 9.474 -23.551 1.00 70.31 H new ATOM 0 HD21 ASN A 85 3.227 8.812 -20.226 1.00 30.42 H new ATOM 0 HD22 ASN A 85 4.805 9.487 -20.645 1.00 30.42 H new ATOM 1354 N ASN A 86 7.289 8.277 -25.058 1.00 74.02 N ATOM 1355 CA ASN A 86 8.099 8.772 -26.165 1.00 3.01 C ATOM 1356 C ASN A 86 8.491 7.635 -27.104 1.00 34.12 C ATOM 1357 O ASN A 86 8.855 7.866 -28.257 1.00 54.34 O ATOM 1358 CB ASN A 86 9.356 9.465 -25.634 1.00 14.21 C ATOM 1359 CG ASN A 86 9.980 10.394 -26.657 1.00 62.45 C ATOM 1360 OD1 ASN A 86 10.972 10.049 -27.301 1.00 14.20 O ATOM 1361 ND2 ASN A 86 9.401 11.579 -26.812 1.00 61.43 N ATOM 0 H ASN A 86 7.770 8.259 -24.158 1.00 74.02 H new ATOM 0 HA ASN A 86 7.503 9.493 -26.725 1.00 3.01 H new ATOM 0 HB2 ASN A 86 9.104 10.032 -24.738 1.00 14.21 H new ATOM 0 HB3 ASN A 86 10.086 8.711 -25.339 1.00 14.21 H new ATOM 0 HD21 ASN A 86 9.777 12.246 -27.486 1.00 61.43 H new ATOM 0 HD22 ASN A 86 8.581 11.822 -26.257 1.00 61.43 H new ATOM 1368 N CYS A 87 8.412 6.408 -26.602 1.00 25.50 N ATOM 1369 CA CYS A 87 8.759 5.234 -27.396 1.00 34.45 C ATOM 1370 C CYS A 87 7.876 5.136 -28.636 1.00 4.41 C ATOM 1371 O CYS A 87 8.372 5.131 -29.763 1.00 70.31 O ATOM 1372 CB CYS A 87 8.618 3.964 -26.554 1.00 42.23 C ATOM 1373 SG CYS A 87 10.177 3.356 -25.870 1.00 4.01 S ATOM 0 H CYS A 87 8.111 6.200 -25.650 1.00 25.50 H new ATOM 0 HA CYS A 87 9.796 5.336 -27.717 1.00 34.45 H new ATOM 0 HB2 CYS A 87 7.926 4.159 -25.735 1.00 42.23 H new ATOM 0 HB3 CYS A 87 8.173 3.181 -27.168 1.00 42.23 H new ATOM 0 HG CYS A 87 10.460 4.013 -24.785 1.00 4.01 H new ATOM 1379 N ILE A 88 6.568 5.059 -28.420 1.00 74.40 N ATOM 1380 CA ILE A 88 5.617 4.961 -29.521 1.00 31.25 C ATOM 1381 C ILE A 88 5.349 6.329 -30.138 1.00 72.15 C ATOM 1382 O ILE A 88 5.065 6.438 -31.332 1.00 52.41 O ATOM 1383 CB ILE A 88 4.282 4.348 -29.058 1.00 54.31 C ATOM 1384 CG1 ILE A 88 3.623 5.242 -28.005 1.00 23.44 C ATOM 1385 CG2 ILE A 88 4.504 2.947 -28.508 1.00 53.25 C ATOM 1386 CD1 ILE A 88 2.545 6.142 -28.565 1.00 11.43 C ATOM 0 H ILE A 88 6.142 5.063 -27.493 1.00 74.40 H new ATOM 0 HA ILE A 88 6.066 4.309 -30.270 1.00 31.25 H new ATOM 0 HB ILE A 88 3.615 4.278 -29.917 1.00 54.31 H new ATOM 0 HG12 ILE A 88 3.192 4.614 -27.226 1.00 23.44 H new ATOM 0 HG13 ILE A 88 4.389 5.857 -27.532 1.00 23.44 H new ATOM 0 HG21 ILE A 88 3.551 2.528 -28.185 1.00 53.25 H new ATOM 0 HG22 ILE A 88 4.934 2.315 -29.285 1.00 53.25 H new ATOM 0 HG23 ILE A 88 5.186 2.993 -27.659 1.00 53.25 H new ATOM 0 HD11 ILE A 88 2.123 6.747 -27.762 1.00 11.43 H new ATOM 0 HD12 ILE A 88 2.975 6.796 -29.324 1.00 11.43 H new ATOM 0 HD13 ILE A 88 1.759 5.533 -29.013 1.00 11.43 H new ATOM 1398 N LEU A 89 5.442 7.370 -29.319 1.00 45.53 N ATOM 1399 CA LEU A 89 5.212 8.734 -29.785 1.00 61.54 C ATOM 1400 C LEU A 89 6.330 9.186 -30.719 1.00 1.10 C ATOM 1401 O LEU A 89 6.109 9.401 -31.911 1.00 21.10 O ATOM 1402 CB LEU A 89 5.107 9.689 -28.596 1.00 2.43 C ATOM 1403 CG LEU A 89 5.118 11.181 -28.930 1.00 42.35 C ATOM 1404 CD1 LEU A 89 3.826 11.840 -28.474 1.00 1.45 C ATOM 1405 CD2 LEU A 89 6.321 11.862 -28.293 1.00 53.11 C ATOM 0 H LEU A 89 5.675 7.297 -28.329 1.00 45.53 H new ATOM 0 HA LEU A 89 4.273 8.749 -30.339 1.00 61.54 H new ATOM 0 HB2 LEU A 89 4.187 9.465 -28.056 1.00 2.43 H new ATOM 0 HB3 LEU A 89 5.934 9.483 -27.916 1.00 2.43 H new ATOM 0 HG LEU A 89 5.195 11.291 -30.012 1.00 42.35 H new ATOM 0 HD11 LEU A 89 3.852 12.901 -28.720 1.00 1.45 H new ATOM 0 HD12 LEU A 89 2.981 11.371 -28.978 1.00 1.45 H new ATOM 0 HD13 LEU A 89 3.717 11.720 -27.396 1.00 1.45 H new ATOM 0 HD21 LEU A 89 6.312 12.923 -28.542 1.00 53.11 H new ATOM 0 HD22 LEU A 89 6.276 11.742 -27.211 1.00 53.11 H new ATOM 0 HD23 LEU A 89 7.238 11.409 -28.670 1.00 53.11 H new ATOM 1417 N PHE A 90 7.532 9.327 -30.170 1.00 11.14 N ATOM 1418 CA PHE A 90 8.686 9.753 -30.953 1.00 74.14 C ATOM 1419 C PHE A 90 8.949 8.785 -32.103 1.00 61.02 C ATOM 1420 O PHE A 90 8.886 9.162 -33.273 1.00 20.15 O ATOM 1421 CB PHE A 90 9.925 9.853 -30.062 1.00 43.32 C ATOM 1422 CG PHE A 90 11.079 10.557 -30.718 1.00 24.53 C ATOM 1423 CD1 PHE A 90 11.191 11.936 -30.659 1.00 11.31 C ATOM 1424 CD2 PHE A 90 12.052 9.838 -31.393 1.00 65.42 C ATOM 1425 CE1 PHE A 90 12.252 12.587 -31.261 1.00 32.53 C ATOM 1426 CE2 PHE A 90 13.116 10.482 -31.996 1.00 52.34 C ATOM 1427 CZ PHE A 90 13.215 11.858 -31.931 1.00 50.42 C ATOM 0 H PHE A 90 7.732 9.152 -29.185 1.00 11.14 H new ATOM 0 HA PHE A 90 8.468 10.736 -31.371 1.00 74.14 H new ATOM 0 HB2 PHE A 90 9.662 10.380 -29.145 1.00 43.32 H new ATOM 0 HB3 PHE A 90 10.238 8.849 -29.774 1.00 43.32 H new ATOM 0 HD1 PHE A 90 10.440 12.510 -30.136 1.00 11.31 H new ATOM 0 HD2 PHE A 90 11.978 8.762 -31.449 1.00 65.42 H new ATOM 0 HE1 PHE A 90 12.328 13.663 -31.207 1.00 32.53 H new ATOM 0 HE2 PHE A 90 13.869 9.910 -32.517 1.00 52.34 H new ATOM 0 HZ PHE A 90 14.044 12.363 -32.403 1.00 50.42 H new ATOM 1437 N ASN A 91 9.245 7.535 -31.761 1.00 2.32 N ATOM 1438 CA ASN A 91 9.520 6.513 -32.764 1.00 33.33 C ATOM 1439 C ASN A 91 9.877 5.185 -32.103 1.00 24.11 C ATOM 1440 O ASN A 91 10.919 5.060 -31.460 1.00 13.22 O ATOM 1441 CB ASN A 91 10.659 6.962 -33.682 1.00 35.45 C ATOM 1442 CG ASN A 91 10.211 7.122 -35.122 1.00 4.03 C ATOM 1443 OD1 ASN A 91 10.454 8.154 -35.747 1.00 52.33 O ATOM 1444 ND2 ASN A 91 9.554 6.098 -35.655 1.00 4.44 N ATOM 0 H ASN A 91 9.300 7.206 -30.797 1.00 2.32 H new ATOM 0 HA ASN A 91 8.618 6.371 -33.359 1.00 33.33 H new ATOM 0 HB2 ASN A 91 11.061 7.909 -33.322 1.00 35.45 H new ATOM 0 HB3 ASN A 91 11.469 6.234 -33.635 1.00 35.45 H new ATOM 0 HD21 ASN A 91 9.228 6.148 -36.620 1.00 4.44 H new ATOM 0 HD22 ASN A 91 9.375 5.262 -35.099 1.00 4.44 H new ATOM 1451 N GLY A 92 9.006 4.194 -32.267 1.00 53.32 N ATOM 1452 CA GLY A 92 9.247 2.889 -31.682 1.00 24.34 C ATOM 1453 C GLY A 92 8.254 1.847 -32.157 1.00 12.24 C ATOM 1454 O GLY A 92 8.611 0.930 -32.894 1.00 63.44 O ATOM 0 H GLY A 92 8.137 4.272 -32.795 1.00 53.32 H new ATOM 0 HA2 GLY A 92 10.257 2.564 -31.931 1.00 24.34 H new ATOM 0 HA3 GLY A 92 9.196 2.966 -30.596 1.00 24.34 H new ATOM 1458 N ALA A 93 7.003 1.988 -31.731 1.00 55.14 N ATOM 1459 CA ALA A 93 5.954 1.052 -32.118 1.00 43.12 C ATOM 1460 C ALA A 93 5.139 1.594 -33.287 1.00 74.12 C ATOM 1461 O ALA A 93 5.106 0.996 -34.362 1.00 51.12 O ATOM 1462 CB ALA A 93 5.048 0.755 -30.933 1.00 21.04 C ATOM 0 H ALA A 93 6.691 2.741 -31.118 1.00 55.14 H new ATOM 0 HA ALA A 93 6.429 0.125 -32.439 1.00 43.12 H new ATOM 0 HB1 ALA A 93 4.270 0.055 -31.237 1.00 21.04 H new ATOM 0 HB2 ALA A 93 5.636 0.317 -30.126 1.00 21.04 H new ATOM 0 HB3 ALA A 93 4.588 1.680 -30.586 1.00 21.04 H new ATOM 1468 N GLU A 94 4.481 2.728 -33.069 1.00 1.53 N ATOM 1469 CA GLU A 94 3.664 3.349 -34.105 1.00 21.10 C ATOM 1470 C GLU A 94 2.605 2.377 -34.617 1.00 52.21 C ATOM 1471 O GLU A 94 2.102 2.520 -35.731 1.00 1.22 O ATOM 1472 CB GLU A 94 4.544 3.820 -35.265 1.00 75.32 C ATOM 1473 CG GLU A 94 4.132 5.167 -35.833 1.00 54.42 C ATOM 1474 CD GLU A 94 5.320 6.025 -36.222 1.00 24.31 C ATOM 1475 OE1 GLU A 94 6.315 6.038 -35.467 1.00 51.30 O ATOM 1476 OE2 GLU A 94 5.256 6.682 -37.282 1.00 13.11 O ATOM 0 H GLU A 94 4.498 3.235 -32.184 1.00 1.53 H new ATOM 0 HA GLU A 94 3.160 4.211 -33.668 1.00 21.10 H new ATOM 0 HB2 GLU A 94 5.578 3.879 -34.925 1.00 75.32 H new ATOM 0 HB3 GLU A 94 4.512 3.075 -36.060 1.00 75.32 H new ATOM 0 HG2 GLU A 94 3.500 5.010 -36.707 1.00 54.42 H new ATOM 0 HG3 GLU A 94 3.530 5.699 -35.096 1.00 54.42 H new ATOM 1483 N GLY A 95 2.271 1.387 -33.795 1.00 11.24 N ATOM 1484 CA GLY A 95 1.274 0.406 -34.181 1.00 64.43 C ATOM 1485 C GLY A 95 1.267 -0.804 -33.268 1.00 22.11 C ATOM 1486 O GLY A 95 0.247 -1.477 -33.126 1.00 54.11 O ATOM 0 H GLY A 95 2.673 1.247 -32.868 1.00 11.24 H new ATOM 0 HA2 GLY A 95 0.288 0.871 -34.170 1.00 64.43 H new ATOM 0 HA3 GLY A 95 1.463 0.084 -35.205 1.00 64.43 H new ATOM 1490 N ALA A 96 2.409 -1.082 -32.648 1.00 63.40 N ATOM 1491 CA ALA A 96 2.530 -2.219 -31.744 1.00 4.04 C ATOM 1492 C ALA A 96 2.832 -1.759 -30.321 1.00 61.13 C ATOM 1493 O ALA A 96 3.751 -2.265 -29.677 1.00 32.44 O ATOM 1494 CB ALA A 96 3.612 -3.170 -32.233 1.00 70.44 C ATOM 0 H ALA A 96 3.264 -0.535 -32.755 1.00 63.40 H new ATOM 0 HA ALA A 96 1.576 -2.746 -31.734 1.00 4.04 H new ATOM 0 HB1 ALA A 96 3.691 -4.014 -31.548 1.00 70.44 H new ATOM 0 HB2 ALA A 96 3.355 -3.533 -33.228 1.00 70.44 H new ATOM 0 HB3 ALA A 96 4.566 -2.645 -32.274 1.00 70.44 H new ATOM 1500 N TYR A 97 2.054 -0.797 -29.838 1.00 42.02 N ATOM 1501 CA TYR A 97 2.241 -0.267 -28.493 1.00 15.42 C ATOM 1502 C TYR A 97 2.273 -1.392 -27.463 1.00 63.13 C ATOM 1503 O TYR A 97 2.919 -1.277 -26.422 1.00 14.02 O ATOM 1504 CB TYR A 97 1.122 0.720 -28.151 1.00 64.43 C ATOM 1505 CG TYR A 97 -0.244 0.079 -28.063 1.00 73.22 C ATOM 1506 CD1 TYR A 97 -1.003 -0.147 -29.205 1.00 42.52 C ATOM 1507 CD2 TYR A 97 -0.777 -0.302 -26.838 1.00 24.45 C ATOM 1508 CE1 TYR A 97 -2.252 -0.731 -29.129 1.00 71.01 C ATOM 1509 CE2 TYR A 97 -2.024 -0.889 -26.752 1.00 55.11 C ATOM 1510 CZ TYR A 97 -2.759 -1.101 -27.900 1.00 45.44 C ATOM 1511 OH TYR A 97 -4.002 -1.684 -27.821 1.00 30.44 O ATOM 0 H TYR A 97 1.288 -0.368 -30.358 1.00 42.02 H new ATOM 0 HA TYR A 97 3.198 0.254 -28.465 1.00 15.42 H new ATOM 0 HB2 TYR A 97 1.351 1.200 -27.200 1.00 64.43 H new ATOM 0 HB3 TYR A 97 1.098 1.505 -28.907 1.00 64.43 H new ATOM 0 HD1 TYR A 97 -0.609 0.139 -30.169 1.00 42.52 H new ATOM 0 HD2 TYR A 97 -0.206 -0.136 -25.937 1.00 24.45 H new ATOM 0 HE1 TYR A 97 -2.829 -0.897 -30.027 1.00 71.01 H new ATOM 0 HE2 TYR A 97 -2.422 -1.181 -25.791 1.00 55.11 H new ATOM 0 HH TYR A 97 -4.210 -1.885 -26.885 1.00 30.44 H new ATOM 1521 N ALA A 98 1.573 -2.481 -27.764 1.00 14.41 N ATOM 1522 CA ALA A 98 1.523 -3.629 -26.867 1.00 53.32 C ATOM 1523 C ALA A 98 2.925 -4.125 -26.533 1.00 21.35 C ATOM 1524 O ALA A 98 3.160 -4.672 -25.455 1.00 35.42 O ATOM 1525 CB ALA A 98 0.699 -4.747 -27.487 1.00 74.34 C ATOM 0 H ALA A 98 1.033 -2.592 -28.622 1.00 14.41 H new ATOM 0 HA ALA A 98 1.047 -3.314 -25.939 1.00 53.32 H new ATOM 0 HB1 ALA A 98 0.670 -5.598 -26.807 1.00 74.34 H new ATOM 0 HB2 ALA A 98 -0.316 -4.393 -27.669 1.00 74.34 H new ATOM 0 HB3 ALA A 98 1.151 -5.052 -28.431 1.00 74.34 H new ATOM 1531 N ASP A 99 3.854 -3.932 -27.463 1.00 13.34 N ATOM 1532 CA ASP A 99 5.234 -4.360 -27.266 1.00 12.21 C ATOM 1533 C ASP A 99 5.866 -3.629 -26.086 1.00 24.24 C ATOM 1534 O ASP A 99 6.588 -4.227 -25.288 1.00 1.43 O ATOM 1535 CB ASP A 99 6.053 -4.112 -28.534 1.00 12.24 C ATOM 1536 CG ASP A 99 5.714 -5.089 -29.642 1.00 55.53 C ATOM 1537 OD1 ASP A 99 4.527 -5.458 -29.764 1.00 62.32 O ATOM 1538 OD2 ASP A 99 6.635 -5.484 -30.388 1.00 14.13 O ATOM 0 H ASP A 99 3.676 -3.482 -28.361 1.00 13.34 H new ATOM 0 HA ASP A 99 5.230 -5.428 -27.049 1.00 12.21 H new ATOM 0 HB2 ASP A 99 5.877 -3.095 -28.884 1.00 12.24 H new ATOM 0 HB3 ASP A 99 7.114 -4.188 -28.298 1.00 12.24 H new ATOM 1543 N ALA A 100 5.591 -2.333 -25.982 1.00 62.13 N ATOM 1544 CA ALA A 100 6.132 -1.521 -24.899 1.00 65.24 C ATOM 1545 C ALA A 100 5.326 -1.707 -23.618 1.00 44.24 C ATOM 1546 O ALA A 100 5.824 -1.462 -22.520 1.00 11.32 O ATOM 1547 CB ALA A 100 6.158 -0.054 -25.302 1.00 34.04 C ATOM 0 H ALA A 100 4.996 -1.823 -26.635 1.00 62.13 H new ATOM 0 HA ALA A 100 7.153 -1.851 -24.705 1.00 65.24 H new ATOM 0 HB1 ALA A 100 6.564 0.541 -24.484 1.00 34.04 H new ATOM 0 HB2 ALA A 100 6.784 0.069 -26.186 1.00 34.04 H new ATOM 0 HB3 ALA A 100 5.145 0.280 -25.525 1.00 34.04 H new ATOM 1553 N ALA A 101 4.079 -2.141 -23.767 1.00 40.52 N ATOM 1554 CA ALA A 101 3.205 -2.360 -22.622 1.00 32.02 C ATOM 1555 C ALA A 101 3.671 -3.554 -21.796 1.00 61.20 C ATOM 1556 O ALA A 101 3.467 -3.600 -20.583 1.00 1.52 O ATOM 1557 CB ALA A 101 1.770 -2.564 -23.085 1.00 33.05 C ATOM 0 H ALA A 101 3.652 -2.348 -24.670 1.00 40.52 H new ATOM 0 HA ALA A 101 3.248 -1.474 -21.988 1.00 32.02 H new ATOM 0 HB1 ALA A 101 1.128 -2.727 -22.219 1.00 33.05 H new ATOM 0 HB2 ALA A 101 1.433 -1.680 -23.626 1.00 33.05 H new ATOM 0 HB3 ALA A 101 1.720 -3.432 -23.742 1.00 33.05 H new ATOM 1563 N ARG A 102 4.297 -4.519 -22.461 1.00 63.43 N ATOM 1564 CA ARG A 102 4.791 -5.715 -21.789 1.00 13.04 C ATOM 1565 C ARG A 102 5.825 -5.353 -20.726 1.00 74.41 C ATOM 1566 O ARG A 102 5.712 -5.762 -19.570 1.00 1.43 O ATOM 1567 CB ARG A 102 5.404 -6.681 -22.804 1.00 34.10 C ATOM 1568 CG ARG A 102 5.248 -8.144 -22.423 1.00 61.42 C ATOM 1569 CD ARG A 102 6.087 -8.495 -21.204 1.00 14.10 C ATOM 1570 NE ARG A 102 6.794 -9.761 -21.372 1.00 64.22 N ATOM 1571 CZ ARG A 102 7.415 -10.394 -20.382 1.00 54.43 C ATOM 1572 NH1 ARG A 102 7.414 -9.880 -19.160 1.00 32.32 N ATOM 1573 NH2 ARG A 102 8.037 -11.542 -20.614 1.00 71.41 N ATOM 0 H ARG A 102 4.474 -4.496 -23.465 1.00 63.43 H new ATOM 0 HA ARG A 102 3.947 -6.201 -21.300 1.00 13.04 H new ATOM 0 HB2 ARG A 102 4.940 -6.516 -23.776 1.00 34.10 H new ATOM 0 HB3 ARG A 102 6.464 -6.454 -22.914 1.00 34.10 H new ATOM 0 HG2 ARG A 102 4.199 -8.358 -22.218 1.00 61.42 H new ATOM 0 HG3 ARG A 102 5.543 -8.773 -23.263 1.00 61.42 H new ATOM 0 HD2 ARG A 102 6.808 -7.699 -21.019 1.00 14.10 H new ATOM 0 HD3 ARG A 102 5.444 -8.553 -20.326 1.00 14.10 H new ATOM 0 HE ARG A 102 6.812 -10.183 -22.300 1.00 64.22 H new ATOM 0 HH11 ARG A 102 6.936 -8.997 -18.978 1.00 32.32 H new ATOM 0 HH12 ARG A 102 7.891 -10.367 -18.401 1.00 32.32 H new ATOM 0 HH21 ARG A 102 8.039 -11.940 -21.553 1.00 71.41 H new ATOM 0 HH22 ARG A 102 8.513 -12.027 -19.853 1.00 71.41 H new ATOM 1587 N THR A 103 6.833 -4.585 -21.126 1.00 50.12 N ATOM 1588 CA THR A 103 7.888 -4.170 -20.210 1.00 53.41 C ATOM 1589 C THR A 103 7.342 -3.249 -19.125 1.00 1.41 C ATOM 1590 O THR A 103 7.845 -3.231 -18.001 1.00 51.11 O ATOM 1591 CB THR A 103 9.027 -3.448 -20.955 1.00 32.32 C ATOM 1592 OG1 THR A 103 10.026 -3.019 -20.024 1.00 1.25 O ATOM 1593 CG2 THR A 103 8.496 -2.249 -21.725 1.00 75.13 C ATOM 0 H THR A 103 6.941 -4.238 -22.079 1.00 50.12 H new ATOM 0 HA THR A 103 8.282 -5.076 -19.750 1.00 53.41 H new ATOM 0 HB THR A 103 9.468 -4.148 -21.664 1.00 32.32 H new ATOM 0 HG1 THR A 103 10.747 -2.562 -20.505 1.00 1.25 H new ATOM 0 HG21 THR A 103 9.319 -1.756 -22.243 1.00 75.13 H new ATOM 0 HG22 THR A 103 7.757 -2.583 -22.453 1.00 75.13 H new ATOM 0 HG23 THR A 103 8.031 -1.548 -21.032 1.00 75.13 H new ATOM 1601 N PHE A 104 6.310 -2.485 -19.467 1.00 42.54 N ATOM 1602 CA PHE A 104 5.696 -1.560 -18.522 1.00 22.05 C ATOM 1603 C PHE A 104 5.100 -2.312 -17.335 1.00 40.01 C ATOM 1604 O PHE A 104 5.416 -2.022 -16.182 1.00 21.22 O ATOM 1605 CB PHE A 104 4.610 -0.735 -19.214 1.00 41.45 C ATOM 1606 CG PHE A 104 3.847 0.159 -18.278 1.00 64.15 C ATOM 1607 CD1 PHE A 104 2.741 -0.317 -17.593 1.00 42.31 C ATOM 1608 CD2 PHE A 104 4.236 1.474 -18.085 1.00 5.55 C ATOM 1609 CE1 PHE A 104 2.037 0.503 -16.731 1.00 23.23 C ATOM 1610 CE2 PHE A 104 3.537 2.298 -17.223 1.00 51.42 C ATOM 1611 CZ PHE A 104 2.435 1.812 -16.546 1.00 42.34 C ATOM 0 H PHE A 104 5.881 -2.488 -20.392 1.00 42.54 H new ATOM 0 HA PHE A 104 6.472 -0.889 -18.153 1.00 22.05 H new ATOM 0 HB2 PHE A 104 5.069 -0.125 -19.992 1.00 41.45 H new ATOM 0 HB3 PHE A 104 3.912 -1.410 -19.708 1.00 41.45 H new ATOM 0 HD1 PHE A 104 2.425 -1.340 -17.734 1.00 42.31 H new ATOM 0 HD2 PHE A 104 5.095 1.860 -18.614 1.00 5.55 H new ATOM 0 HE1 PHE A 104 1.176 0.120 -16.203 1.00 23.23 H new ATOM 0 HE2 PHE A 104 3.852 3.321 -17.079 1.00 51.42 H new ATOM 0 HZ PHE A 104 1.886 2.455 -15.874 1.00 42.34 H new ATOM 1621 N GLU A 105 4.236 -3.278 -17.628 1.00 74.45 N ATOM 1622 CA GLU A 105 3.594 -4.071 -16.586 1.00 1.10 C ATOM 1623 C GLU A 105 4.633 -4.688 -15.654 1.00 44.33 C ATOM 1624 O GLU A 105 4.483 -4.661 -14.433 1.00 32.23 O ATOM 1625 CB GLU A 105 2.734 -5.172 -17.209 1.00 34.35 C ATOM 1626 CG GLU A 105 1.318 -4.727 -17.536 1.00 22.13 C ATOM 1627 CD GLU A 105 0.409 -4.736 -16.322 1.00 54.04 C ATOM 1628 OE1 GLU A 105 0.378 -3.721 -15.596 1.00 12.11 O ATOM 1629 OE2 GLU A 105 -0.273 -5.759 -16.100 1.00 43.20 O ATOM 0 H GLU A 105 3.964 -3.531 -18.578 1.00 74.45 H new ATOM 0 HA GLU A 105 2.956 -3.408 -16.002 1.00 1.10 H new ATOM 0 HB2 GLU A 105 3.215 -5.524 -18.122 1.00 34.35 H new ATOM 0 HB3 GLU A 105 2.691 -6.019 -16.524 1.00 34.35 H new ATOM 0 HG2 GLU A 105 1.345 -3.722 -17.958 1.00 22.13 H new ATOM 0 HG3 GLU A 105 0.903 -5.383 -18.301 1.00 22.13 H new ATOM 1636 N LYS A 106 5.689 -5.244 -16.240 1.00 55.31 N ATOM 1637 CA LYS A 106 6.754 -5.867 -15.465 1.00 25.30 C ATOM 1638 C LYS A 106 7.307 -4.900 -14.423 1.00 13.02 C ATOM 1639 O LYS A 106 7.503 -5.266 -13.264 1.00 33.12 O ATOM 1640 CB LYS A 106 7.880 -6.334 -16.391 1.00 4.34 C ATOM 1641 CG LYS A 106 8.821 -7.337 -15.746 1.00 43.12 C ATOM 1642 CD LYS A 106 8.113 -8.644 -15.433 1.00 62.55 C ATOM 1643 CE LYS A 106 9.106 -9.764 -15.159 1.00 74.04 C ATOM 1644 NZ LYS A 106 8.835 -10.439 -13.860 1.00 24.02 N ATOM 0 H LYS A 106 5.829 -5.275 -17.250 1.00 55.31 H new ATOM 0 HA LYS A 106 6.335 -6.730 -14.947 1.00 25.30 H new ATOM 0 HB2 LYS A 106 7.443 -6.781 -17.284 1.00 4.34 H new ATOM 0 HB3 LYS A 106 8.454 -5.467 -16.717 1.00 4.34 H new ATOM 0 HG2 LYS A 106 9.662 -7.528 -16.412 1.00 43.12 H new ATOM 0 HG3 LYS A 106 9.230 -6.915 -14.828 1.00 43.12 H new ATOM 0 HD2 LYS A 106 7.466 -8.510 -14.566 1.00 62.55 H new ATOM 0 HD3 LYS A 106 7.472 -8.921 -16.270 1.00 62.55 H new ATOM 0 HE2 LYS A 106 9.060 -10.496 -15.965 1.00 74.04 H new ATOM 0 HE3 LYS A 106 10.118 -9.359 -15.154 1.00 74.04 H new ATOM 0 HZ1 LYS A 106 9.533 -11.196 -13.710 1.00 24.02 H new ATOM 0 HZ2 LYS A 106 8.904 -9.746 -13.088 1.00 24.02 H new ATOM 0 HZ3 LYS A 106 7.879 -10.848 -13.874 1.00 24.02 H new ATOM 1658 N PHE A 107 7.554 -3.664 -14.842 1.00 45.43 N ATOM 1659 CA PHE A 107 8.084 -2.643 -13.945 1.00 34.44 C ATOM 1660 C PHE A 107 7.209 -2.506 -12.702 1.00 1.02 C ATOM 1661 O PHE A 107 7.711 -2.449 -11.580 1.00 3.13 O ATOM 1662 CB PHE A 107 8.178 -1.298 -14.667 1.00 2.22 C ATOM 1663 CG PHE A 107 9.566 -0.965 -15.136 1.00 32.34 C ATOM 1664 CD1 PHE A 107 10.143 -1.663 -16.185 1.00 14.22 C ATOM 1665 CD2 PHE A 107 10.293 0.045 -14.528 1.00 3.14 C ATOM 1666 CE1 PHE A 107 11.420 -1.359 -16.617 1.00 74.35 C ATOM 1667 CE2 PHE A 107 11.571 0.353 -14.956 1.00 53.43 C ATOM 1668 CZ PHE A 107 12.134 -0.349 -16.003 1.00 60.24 C ATOM 0 H PHE A 107 7.396 -3.344 -15.798 1.00 45.43 H new ATOM 0 HA PHE A 107 9.083 -2.950 -13.634 1.00 34.44 H new ATOM 0 HB2 PHE A 107 7.506 -1.307 -15.525 1.00 2.22 H new ATOM 0 HB3 PHE A 107 7.830 -0.511 -13.998 1.00 2.22 H new ATOM 0 HD1 PHE A 107 9.589 -2.453 -16.670 1.00 14.22 H new ATOM 0 HD2 PHE A 107 9.856 0.599 -13.710 1.00 3.14 H new ATOM 0 HE1 PHE A 107 11.859 -1.911 -17.435 1.00 74.35 H new ATOM 0 HE2 PHE A 107 12.128 1.142 -14.472 1.00 53.43 H new ATOM 0 HZ PHE A 107 13.131 -0.109 -16.341 1.00 60.24 H new ATOM 1678 N ALA A 108 5.898 -2.453 -12.911 1.00 52.12 N ATOM 1679 CA ALA A 108 4.953 -2.324 -11.809 1.00 12.40 C ATOM 1680 C ALA A 108 5.110 -3.469 -10.814 1.00 52.41 C ATOM 1681 O ALA A 108 5.152 -3.250 -9.604 1.00 34.02 O ATOM 1682 CB ALA A 108 3.527 -2.274 -12.339 1.00 4.01 C ATOM 0 H ALA A 108 5.466 -2.497 -13.834 1.00 52.12 H new ATOM 0 HA ALA A 108 5.167 -1.392 -11.287 1.00 12.40 H new ATOM 0 HB1 ALA A 108 2.832 -2.178 -11.505 1.00 4.01 H new ATOM 0 HB2 ALA A 108 3.416 -1.418 -13.005 1.00 4.01 H new ATOM 0 HB3 ALA A 108 3.310 -3.191 -12.888 1.00 4.01 H new ATOM 1688 N MET A 109 5.195 -4.689 -11.333 1.00 25.24 N ATOM 1689 CA MET A 109 5.348 -5.869 -10.489 1.00 3.45 C ATOM 1690 C MET A 109 6.612 -5.770 -9.640 1.00 41.21 C ATOM 1691 O MET A 109 6.587 -6.033 -8.439 1.00 12.24 O ATOM 1692 CB MET A 109 5.394 -7.134 -11.347 1.00 31.10 C ATOM 1693 CG MET A 109 4.773 -8.348 -10.674 1.00 42.42 C ATOM 1694 SD MET A 109 3.209 -8.836 -11.428 1.00 5.42 S ATOM 1695 CE MET A 109 3.718 -10.278 -12.360 1.00 24.03 C ATOM 0 H MET A 109 5.161 -4.887 -12.333 1.00 25.24 H new ATOM 0 HA MET A 109 4.487 -5.922 -9.823 1.00 3.45 H new ATOM 0 HB2 MET A 109 4.875 -6.945 -12.287 1.00 31.10 H new ATOM 0 HB3 MET A 109 6.432 -7.357 -11.595 1.00 31.10 H new ATOM 0 HG2 MET A 109 5.472 -9.183 -10.723 1.00 42.42 H new ATOM 0 HG3 MET A 109 4.611 -8.130 -9.618 1.00 42.42 H new ATOM 0 HE1 MET A 109 2.858 -10.695 -12.884 1.00 24.03 H new ATOM 0 HE2 MET A 109 4.481 -9.992 -13.084 1.00 24.03 H new ATOM 0 HE3 MET A 109 4.126 -11.026 -11.680 1.00 24.03 H new ATOM 1705 N GLY A 110 7.717 -5.389 -10.274 1.00 62.11 N ATOM 1706 CA GLY A 110 8.975 -5.263 -9.562 1.00 22.15 C ATOM 1707 C GLY A 110 8.881 -4.317 -8.381 1.00 54.11 C ATOM 1708 O GLY A 110 9.500 -4.545 -7.342 1.00 1.53 O ATOM 0 H GLY A 110 7.763 -5.165 -11.268 1.00 62.11 H new ATOM 0 HA2 GLY A 110 9.291 -6.246 -9.212 1.00 22.15 H new ATOM 0 HA3 GLY A 110 9.743 -4.907 -10.248 1.00 22.15 H new ATOM 1712 N LYS A 111 8.104 -3.250 -8.540 1.00 62.44 N ATOM 1713 CA LYS A 111 7.930 -2.265 -7.480 1.00 42.11 C ATOM 1714 C LYS A 111 7.258 -2.890 -6.261 1.00 43.45 C ATOM 1715 O LYS A 111 7.634 -2.610 -5.123 1.00 0.03 O ATOM 1716 CB LYS A 111 7.098 -1.084 -7.985 1.00 1.21 C ATOM 1717 CG LYS A 111 7.106 0.111 -7.047 1.00 33.32 C ATOM 1718 CD LYS A 111 5.916 0.086 -6.102 1.00 73.44 C ATOM 1719 CE LYS A 111 4.759 0.914 -6.641 1.00 3.12 C ATOM 1720 NZ LYS A 111 3.621 0.968 -5.682 1.00 25.44 N ATOM 0 H LYS A 111 7.585 -3.046 -9.394 1.00 62.44 H new ATOM 0 HA LYS A 111 8.916 -1.907 -7.185 1.00 42.11 H new ATOM 0 HB2 LYS A 111 7.477 -0.773 -8.959 1.00 1.21 H new ATOM 0 HB3 LYS A 111 6.069 -1.412 -8.133 1.00 1.21 H new ATOM 0 HG2 LYS A 111 8.030 0.115 -6.469 1.00 33.32 H new ATOM 0 HG3 LYS A 111 7.090 1.032 -7.630 1.00 33.32 H new ATOM 0 HD2 LYS A 111 5.590 -0.943 -5.953 1.00 73.44 H new ATOM 0 HD3 LYS A 111 6.216 0.470 -5.127 1.00 73.44 H new ATOM 0 HE2 LYS A 111 5.104 1.926 -6.852 1.00 3.12 H new ATOM 0 HE3 LYS A 111 4.418 0.490 -7.585 1.00 3.12 H new ATOM 0 HZ1 LYS A 111 2.853 1.541 -6.086 1.00 25.44 H new ATOM 0 HZ2 LYS A 111 3.275 0.004 -5.500 1.00 25.44 H new ATOM 0 HZ3 LYS A 111 3.939 1.396 -4.789 1.00 25.44 H new ATOM 1734 N ILE A 112 6.265 -3.737 -6.509 1.00 10.24 N ATOM 1735 CA ILE A 112 5.544 -4.403 -5.431 1.00 54.51 C ATOM 1736 C ILE A 112 6.494 -5.196 -4.541 1.00 43.21 C ATOM 1737 O ILE A 112 6.454 -5.083 -3.316 1.00 14.22 O ATOM 1738 CB ILE A 112 4.461 -5.351 -5.980 1.00 41.41 C ATOM 1739 CG1 ILE A 112 3.584 -4.622 -7.000 1.00 70.03 C ATOM 1740 CG2 ILE A 112 3.614 -5.902 -4.843 1.00 71.01 C ATOM 1741 CD1 ILE A 112 2.975 -3.343 -6.470 1.00 32.24 C ATOM 0 H ILE A 112 5.941 -3.978 -7.446 1.00 10.24 H new ATOM 0 HA ILE A 112 5.066 -3.621 -4.841 1.00 54.51 H new ATOM 0 HB ILE A 112 4.950 -6.187 -6.481 1.00 41.41 H new ATOM 0 HG12 ILE A 112 4.182 -4.392 -7.882 1.00 70.03 H new ATOM 0 HG13 ILE A 112 2.784 -5.289 -7.322 1.00 70.03 H new ATOM 0 HG21 ILE A 112 2.853 -6.570 -5.247 1.00 71.01 H new ATOM 0 HG22 ILE A 112 4.250 -6.453 -4.150 1.00 71.01 H new ATOM 0 HG23 ILE A 112 3.131 -5.078 -4.317 1.00 71.01 H new ATOM 0 HD11 ILE A 112 2.367 -2.880 -7.247 1.00 32.24 H new ATOM 0 HD12 ILE A 112 2.350 -3.568 -5.606 1.00 32.24 H new ATOM 0 HD13 ILE A 112 3.769 -2.657 -6.175 1.00 32.24 H new ATOM 1753 N ASP A 113 7.350 -5.997 -5.166 1.00 4.14 N ATOM 1754 CA ASP A 113 8.314 -6.808 -4.431 1.00 5.54 C ATOM 1755 C ASP A 113 9.178 -5.936 -3.524 1.00 31.01 C ATOM 1756 O ASP A 113 9.390 -6.259 -2.355 1.00 42.54 O ATOM 1757 CB ASP A 113 9.200 -7.590 -5.401 1.00 45.33 C ATOM 1758 CG ASP A 113 8.565 -8.894 -5.842 1.00 44.12 C ATOM 1759 OD1 ASP A 113 7.375 -8.876 -6.219 1.00 21.14 O ATOM 1760 OD2 ASP A 113 9.259 -9.932 -5.810 1.00 74.41 O ATOM 0 H ASP A 113 7.396 -6.102 -6.180 1.00 4.14 H new ATOM 0 HA ASP A 113 7.760 -7.512 -3.809 1.00 5.54 H new ATOM 0 HB2 ASP A 113 9.406 -6.975 -6.277 1.00 45.33 H new ATOM 0 HB3 ASP A 113 10.158 -7.798 -4.926 1.00 45.33 H new ATOM 1765 N ALA A 114 9.674 -4.831 -4.071 1.00 71.21 N ATOM 1766 CA ALA A 114 10.513 -3.913 -3.312 1.00 4.04 C ATOM 1767 C ALA A 114 9.808 -3.447 -2.042 1.00 43.24 C ATOM 1768 O ALA A 114 10.405 -3.413 -0.966 1.00 1.30 O ATOM 1769 CB ALA A 114 10.901 -2.719 -4.171 1.00 43.11 C ATOM 0 H ALA A 114 9.509 -4.550 -5.038 1.00 71.21 H new ATOM 0 HA ALA A 114 11.418 -4.445 -3.019 1.00 4.04 H new ATOM 0 HB1 ALA A 114 11.528 -2.042 -3.591 1.00 43.11 H new ATOM 0 HB2 ALA A 114 11.452 -3.064 -5.046 1.00 43.11 H new ATOM 0 HB3 ALA A 114 10.001 -2.195 -4.493 1.00 43.11 H new ATOM 1775 N TYR A 115 8.536 -3.088 -2.176 1.00 4.13 N ATOM 1776 CA TYR A 115 7.751 -2.620 -1.040 1.00 20.44 C ATOM 1777 C TYR A 115 7.829 -3.609 0.120 1.00 1.51 C ATOM 1778 O TYR A 115 8.075 -3.222 1.263 1.00 34.54 O ATOM 1779 CB TYR A 115 6.292 -2.414 -1.451 1.00 64.44 C ATOM 1780 CG TYR A 115 5.370 -2.124 -0.289 1.00 22.52 C ATOM 1781 CD1 TYR A 115 5.617 -1.060 0.570 1.00 32.31 C ATOM 1782 CD2 TYR A 115 4.253 -2.915 -0.048 1.00 41.25 C ATOM 1783 CE1 TYR A 115 4.777 -0.792 1.634 1.00 4.10 C ATOM 1784 CE2 TYR A 115 3.408 -2.653 1.012 1.00 14.10 C ATOM 1785 CZ TYR A 115 3.674 -1.591 1.851 1.00 50.45 C ATOM 1786 OH TYR A 115 2.835 -1.327 2.909 1.00 71.31 O ATOM 0 H TYR A 115 8.027 -3.112 -3.060 1.00 4.13 H new ATOM 0 HA TYR A 115 8.167 -1.668 -0.711 1.00 20.44 H new ATOM 0 HB2 TYR A 115 6.237 -1.590 -2.162 1.00 64.44 H new ATOM 0 HB3 TYR A 115 5.940 -3.306 -1.969 1.00 64.44 H new ATOM 0 HD1 TYR A 115 6.480 -0.432 0.403 1.00 32.31 H new ATOM 0 HD2 TYR A 115 4.042 -3.749 -0.701 1.00 41.25 H new ATOM 0 HE1 TYR A 115 4.983 0.039 2.292 1.00 4.10 H new ATOM 0 HE2 TYR A 115 2.543 -3.277 1.183 1.00 14.10 H new ATOM 0 HH TYR A 115 2.417 -0.450 2.784 1.00 71.31 H new ATOM 1796 N ILE A 116 7.619 -4.885 -0.184 1.00 2.14 N ATOM 1797 CA ILE A 116 7.667 -5.929 0.832 1.00 24.21 C ATOM 1798 C ILE A 116 9.027 -5.963 1.521 1.00 22.43 C ATOM 1799 O ILE A 116 9.117 -6.189 2.728 1.00 4.31 O ATOM 1800 CB ILE A 116 7.375 -7.316 0.228 1.00 4.33 C ATOM 1801 CG1 ILE A 116 6.017 -7.314 -0.476 1.00 10.33 C ATOM 1802 CG2 ILE A 116 7.416 -8.384 1.311 1.00 54.12 C ATOM 1803 CD1 ILE A 116 5.680 -8.629 -1.142 1.00 33.22 C ATOM 0 H ILE A 116 7.414 -5.221 -1.125 1.00 2.14 H new ATOM 0 HA ILE A 116 6.896 -5.692 1.566 1.00 24.21 H new ATOM 0 HB ILE A 116 8.144 -7.545 -0.509 1.00 4.33 H new ATOM 0 HG12 ILE A 116 5.241 -7.074 0.251 1.00 10.33 H new ATOM 0 HG13 ILE A 116 6.007 -6.523 -1.226 1.00 10.33 H new ATOM 0 HG21 ILE A 116 7.208 -9.358 0.869 1.00 54.12 H new ATOM 0 HG22 ILE A 116 8.404 -8.398 1.771 1.00 54.12 H new ATOM 0 HG23 ILE A 116 6.666 -8.162 2.070 1.00 54.12 H new ATOM 0 HD11 ILE A 116 4.704 -8.555 -1.621 1.00 33.22 H new ATOM 0 HD12 ILE A 116 6.436 -8.861 -1.893 1.00 33.22 H new ATOM 0 HD13 ILE A 116 5.657 -9.421 -0.393 1.00 33.22 H new ATOM 1815 N SER A 117 10.083 -5.737 0.747 1.00 41.44 N ATOM 1816 CA SER A 117 11.439 -5.743 1.282 1.00 65.22 C ATOM 1817 C SER A 117 11.652 -4.574 2.239 1.00 74.12 C ATOM 1818 O SER A 117 12.539 -4.609 3.091 1.00 60.44 O ATOM 1819 CB SER A 117 12.460 -5.677 0.144 1.00 71.12 C ATOM 1820 OG SER A 117 13.159 -6.903 0.014 1.00 41.20 O ATOM 0 H SER A 117 10.026 -5.547 -0.254 1.00 41.44 H new ATOM 0 HA SER A 117 11.580 -6.672 1.834 1.00 65.22 H new ATOM 0 HB2 SER A 117 11.952 -5.444 -0.792 1.00 71.12 H new ATOM 0 HB3 SER A 117 13.168 -4.870 0.332 1.00 71.12 H new ATOM 0 HG SER A 117 13.804 -6.836 -0.721 1.00 41.20 H new ATOM 1826 N GLN A 118 10.830 -3.540 2.091 1.00 51.12 N ATOM 1827 CA GLN A 118 10.928 -2.359 2.941 1.00 33.41 C ATOM 1828 C GLN A 118 9.603 -2.084 3.644 1.00 54.40 C ATOM 1829 O GLN A 118 8.923 -1.101 3.347 1.00 13.03 O ATOM 1830 CB GLN A 118 11.343 -1.142 2.114 1.00 52.24 C ATOM 1831 CG GLN A 118 10.435 -0.877 0.923 1.00 64.41 C ATOM 1832 CD GLN A 118 11.183 -0.304 -0.265 1.00 21.52 C ATOM 1833 OE1 GLN A 118 10.808 0.736 -0.806 1.00 2.21 O ATOM 1834 NE2 GLN A 118 12.248 -0.982 -0.677 1.00 71.34 N ATOM 0 H GLN A 118 10.089 -3.496 1.391 1.00 51.12 H new ATOM 0 HA GLN A 118 11.688 -2.549 3.699 1.00 33.41 H new ATOM 0 HB2 GLN A 118 11.351 -0.262 2.757 1.00 52.24 H new ATOM 0 HB3 GLN A 118 12.363 -1.286 1.758 1.00 52.24 H new ATOM 0 HG2 GLN A 118 9.949 -1.807 0.627 1.00 64.41 H new ATOM 0 HG3 GLN A 118 9.646 -0.185 1.219 1.00 64.41 H new ATOM 0 HE21 GLN A 118 12.523 -1.840 -0.199 1.00 71.34 H new ATOM 0 HE22 GLN A 118 12.791 -0.645 -1.472 1.00 71.34 H new ATOM 1843 N LYS A 119 9.240 -2.957 4.577 1.00 24.41 N ATOM 1844 CA LYS A 119 7.997 -2.809 5.324 1.00 40.30 C ATOM 1845 C LYS A 119 8.173 -3.261 6.770 1.00 64.21 C ATOM 1846 O LYS A 119 7.197 -3.446 7.497 1.00 50.14 O ATOM 1847 CB LYS A 119 6.879 -3.615 4.659 1.00 41.11 C ATOM 1848 CG LYS A 119 5.644 -2.792 4.338 1.00 14.42 C ATOM 1849 CD LYS A 119 4.404 -3.362 5.008 1.00 44.41 C ATOM 1850 CE LYS A 119 4.090 -4.760 4.500 1.00 74.15 C ATOM 1851 NZ LYS A 119 4.308 -5.794 5.549 1.00 44.02 N ATOM 0 H LYS A 119 9.790 -3.776 4.834 1.00 24.41 H new ATOM 0 HA LYS A 119 7.726 -1.753 5.323 1.00 40.30 H new ATOM 0 HB2 LYS A 119 7.260 -4.057 3.738 1.00 41.11 H new ATOM 0 HB3 LYS A 119 6.596 -4.438 5.315 1.00 41.11 H new ATOM 0 HG2 LYS A 119 5.796 -1.764 4.666 1.00 14.42 H new ATOM 0 HG3 LYS A 119 5.495 -2.764 3.259 1.00 14.42 H new ATOM 0 HD2 LYS A 119 4.553 -3.391 6.087 1.00 44.41 H new ATOM 0 HD3 LYS A 119 3.554 -2.706 4.821 1.00 44.41 H new ATOM 0 HE2 LYS A 119 3.055 -4.799 4.161 1.00 74.15 H new ATOM 0 HE3 LYS A 119 4.717 -4.982 3.636 1.00 74.15 H new ATOM 0 HZ1 LYS A 119 3.667 -6.596 5.384 1.00 44.02 H new ATOM 0 HZ2 LYS A 119 5.293 -6.125 5.511 1.00 44.02 H new ATOM 0 HZ3 LYS A 119 4.116 -5.384 6.485 1.00 44.02 H new ATOM 1865 N VAL A 120 9.425 -3.437 7.182 1.00 50.11 N ATOM 1866 CA VAL A 120 9.729 -3.865 8.542 1.00 21.10 C ATOM 1867 C VAL A 120 9.954 -2.667 9.458 1.00 63.31 C ATOM 1868 O VAL A 120 9.840 -2.775 10.678 1.00 32.20 O ATOM 1869 CB VAL A 120 10.976 -4.768 8.580 1.00 21.34 C ATOM 1870 CG1 VAL A 120 12.200 -4.010 8.090 1.00 22.12 C ATOM 1871 CG2 VAL A 120 11.200 -5.307 9.985 1.00 31.42 C ATOM 0 H VAL A 120 10.245 -3.290 6.593 1.00 50.11 H new ATOM 0 HA VAL A 120 8.868 -4.432 8.896 1.00 21.10 H new ATOM 0 HB VAL A 120 10.811 -5.614 7.912 1.00 21.34 H new ATOM 0 HG11 VAL A 120 13.071 -4.664 8.124 1.00 22.12 H new ATOM 0 HG12 VAL A 120 12.036 -3.678 7.065 1.00 22.12 H new ATOM 0 HG13 VAL A 120 12.372 -3.144 8.729 1.00 22.12 H new ATOM 0 HG21 VAL A 120 12.085 -5.943 9.994 1.00 31.42 H new ATOM 0 HG22 VAL A 120 11.344 -4.476 10.675 1.00 31.42 H new ATOM 0 HG23 VAL A 120 10.332 -5.889 10.294 1.00 31.42 H new ATOM 1881 N GLY A 121 10.275 -1.524 8.860 1.00 42.21 N ATOM 1882 CA GLY A 121 10.511 -0.321 9.637 1.00 61.12 C ATOM 1883 C GLY A 121 11.095 0.802 8.803 1.00 0.44 C ATOM 1884 O GLY A 121 11.972 1.534 9.262 1.00 74.23 O ATOM 0 H GLY A 121 10.376 -1.409 7.851 1.00 42.21 H new ATOM 0 HA2 GLY A 121 9.573 0.011 10.082 1.00 61.12 H new ATOM 0 HA3 GLY A 121 11.190 -0.550 10.459 1.00 61.12 H new ATOM 1888 N GLY A 122 10.609 0.939 7.573 1.00 12.23 N ATOM 1889 CA GLY A 122 11.101 1.982 6.693 1.00 42.51 C ATOM 1890 C GLY A 122 10.068 2.415 5.672 1.00 15.31 C ATOM 1891 O GLY A 122 10.404 3.031 4.659 1.00 33.25 O ATOM 0 H GLY A 122 9.883 0.346 7.171 1.00 12.23 H new ATOM 0 HA2 GLY A 122 11.402 2.844 7.289 1.00 42.51 H new ATOM 0 HA3 GLY A 122 11.992 1.626 6.175 1.00 42.51 H new ATOM 1895 N LEU A 123 8.806 2.092 5.936 1.00 3.43 N ATOM 1896 CA LEU A 123 7.719 2.451 5.032 1.00 63.43 C ATOM 1897 C LEU A 123 6.376 1.984 5.583 1.00 31.41 C ATOM 1898 O LEU A 123 5.408 2.743 5.611 1.00 43.31 O ATOM 1899 CB LEU A 123 7.957 1.839 3.650 1.00 72.20 C ATOM 1900 CG LEU A 123 8.258 2.826 2.522 1.00 61.13 C ATOM 1901 CD1 LEU A 123 8.388 2.096 1.194 1.00 31.41 C ATOM 1902 CD2 LEU A 123 7.175 3.892 2.442 1.00 21.04 C ATOM 0 H LEU A 123 8.511 1.582 6.769 1.00 3.43 H new ATOM 0 HA LEU A 123 7.696 3.537 4.943 1.00 63.43 H new ATOM 0 HB2 LEU A 123 8.788 1.138 3.724 1.00 72.20 H new ATOM 0 HB3 LEU A 123 7.075 1.261 3.374 1.00 72.20 H new ATOM 0 HG LEU A 123 9.207 3.316 2.739 1.00 61.13 H new ATOM 0 HD11 LEU A 123 8.602 2.815 0.403 1.00 31.41 H new ATOM 0 HD12 LEU A 123 9.200 1.371 1.255 1.00 31.41 H new ATOM 0 HD13 LEU A 123 7.455 1.578 0.971 1.00 31.41 H new ATOM 0 HD21 LEU A 123 7.406 4.586 1.634 1.00 21.04 H new ATOM 0 HD22 LEU A 123 6.212 3.419 2.250 1.00 21.04 H new ATOM 0 HD23 LEU A 123 7.130 4.436 3.385 1.00 21.04 H new ATOM 1914 N GLU A 124 6.326 0.730 6.022 1.00 32.05 N ATOM 1915 CA GLU A 124 5.101 0.163 6.575 1.00 51.15 C ATOM 1916 C GLU A 124 5.340 -1.254 7.087 1.00 21.12 C ATOM 1917 O GLU A 124 4.981 -1.585 8.217 1.00 45.41 O ATOM 1918 CB GLU A 124 3.995 0.155 5.517 1.00 32.14 C ATOM 1919 CG GLU A 124 2.598 0.306 6.097 1.00 62.15 C ATOM 1920 CD GLU A 124 1.588 0.776 5.068 1.00 12.12 C ATOM 1921 OE1 GLU A 124 1.893 1.740 4.335 1.00 2.12 O ATOM 1922 OE2 GLU A 124 0.493 0.181 4.996 1.00 35.15 O ATOM 0 H GLU A 124 7.118 0.088 6.006 1.00 32.05 H new ATOM 0 HA GLU A 124 4.788 0.785 7.413 1.00 51.15 H new ATOM 0 HB2 GLU A 124 4.175 0.964 4.809 1.00 32.14 H new ATOM 0 HB3 GLU A 124 4.047 -0.778 4.955 1.00 32.14 H new ATOM 0 HG2 GLU A 124 2.274 -0.650 6.509 1.00 62.15 H new ATOM 0 HG3 GLU A 124 2.626 1.016 6.924 1.00 62.15 H new TER 1929 GLU A 124