USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=27 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 Set 1.1: A 115 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 27 ASN :FLIP amide:sc= 0.949 F(o=-1.6,f=1.9) USER MOD Set 2.2: A 32 GLN :FLIP amide:sc= 0.924 F(o=-0.15,f=1.9) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -140:sc= -0.142 USER MOD Single : A 3 GLN : amide:sc= -0.0507 X(o=-0.051,f=0) USER MOD Single : A 4 ASN : amide:sc= -0.265 K(o=-0.27,f=-2) USER MOD Single : A 6 GLN : amide:sc= -2.96 X(o=-3,f=-2.9) USER MOD Single : A 9 TYR OH : rot -69:sc= -0.0286 USER MOD Single : A 14 MET CE :methyl -113:sc= -3.79! (180deg=-7.73!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -130:sc= -0.0446 USER MOD Single : A 25 GLN : amide:sc=-0.00091 X(o=-0.00091,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= -0.146 USER MOD Single : A 37 GLN : amide:sc= -0.179 K(o=-0.18,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 106:sc= -0.367 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 140:sc= -0.418 USER MOD Single : A 51 ASN : amide:sc= -1.72 K(o=-1.7,f=-5!) USER MOD Single : A 53 CYS SG : rot 143:sc= 0.769 USER MOD Single : A 57 THR OG1 : rot -84:sc= 0.563 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= 0.608 K(o=0.61,f=-0.083) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -96:sc= 1.16 USER MOD Single : A 77 LYS NZ :NH3+ -151:sc= -0.377 (180deg=-2.07!) USER MOD Single : A 83 MET CE :methyl 168:sc= -3.12 (180deg=-3.31) USER MOD Single : A 85 ASN : amide:sc= -1.35 X(o=-1.4,f=-1.2) USER MOD Single : A 86 ASN : amide:sc= -0.0888 X(o=-0.089,f=-0.52) USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc=-0.00867 X(o=-0.0087,f=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot -167:sc= 0.0471 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+ 169:sc= 0 (180deg=-0.241) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 GLN : amide:sc= -2.74 X(o=-2.7,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.107 3.316 -3.271 1.00 52.13 N ATOM 2 CA MET A 1 0.445 2.091 -2.556 1.00 4.54 C ATOM 3 C MET A 1 1.450 2.372 -1.443 1.00 10.33 C ATOM 4 O MET A 1 1.113 2.315 -0.260 1.00 54.12 O ATOM 5 CB MET A 1 1.015 1.051 -3.522 1.00 50.43 C ATOM 6 CG MET A 1 0.140 -0.183 -3.671 1.00 45.02 C ATOM 7 SD MET A 1 -1.223 0.067 -4.825 1.00 23.53 S ATOM 8 CE MET A 1 -2.601 -0.545 -3.858 1.00 23.41 C ATOM 0 H1 MET A 1 -0.578 3.101 -4.023 1.00 52.13 H new ATOM 0 H2 MET A 1 -0.310 4.001 -2.609 1.00 52.13 H new ATOM 0 H3 MET A 1 0.968 3.721 -3.692 1.00 52.13 H new ATOM 0 HA MET A 1 -0.468 1.698 -2.108 1.00 4.54 H new ATOM 0 HB2 MET A 1 1.150 1.511 -4.501 1.00 50.43 H new ATOM 0 HB3 MET A 1 2.002 0.747 -3.174 1.00 50.43 H new ATOM 0 HG2 MET A 1 0.752 -1.018 -4.013 1.00 45.02 H new ATOM 0 HG3 MET A 1 -0.261 -0.459 -2.696 1.00 45.02 H new ATOM 0 HE1 MET A 1 -3.520 -0.457 -4.438 1.00 23.41 H new ATOM 0 HE2 MET A 1 -2.431 -1.591 -3.604 1.00 23.41 H new ATOM 0 HE3 MET A 1 -2.692 0.040 -2.943 1.00 23.41 H new ATOM 18 N SER A 2 2.685 2.675 -1.829 1.00 2.40 N ATOM 19 CA SER A 2 3.740 2.961 -0.863 1.00 73.02 C ATOM 20 C SER A 2 3.370 4.159 0.006 1.00 44.20 C ATOM 21 O SER A 2 2.255 4.673 -0.069 1.00 75.32 O ATOM 22 CB SER A 2 5.062 3.228 -1.584 1.00 42.04 C ATOM 23 OG SER A 2 5.475 2.095 -2.329 1.00 51.11 O ATOM 0 H SER A 2 2.980 2.729 -2.804 1.00 2.40 H new ATOM 0 HA SER A 2 3.856 2.089 -0.219 1.00 73.02 H new ATOM 0 HB2 SER A 2 4.950 4.084 -2.250 1.00 42.04 H new ATOM 0 HB3 SER A 2 5.831 3.488 -0.856 1.00 42.04 H new ATOM 0 HG SER A 2 6.445 1.984 -2.244 1.00 51.11 H new ATOM 29 N GLN A 3 4.316 4.598 0.830 1.00 2.41 N ATOM 30 CA GLN A 3 4.090 5.736 1.714 1.00 25.54 C ATOM 31 C GLN A 3 4.522 7.038 1.048 1.00 64.51 C ATOM 32 O GLN A 3 5.353 7.036 0.141 1.00 63.32 O ATOM 33 CB GLN A 3 4.850 5.545 3.029 1.00 53.14 C ATOM 34 CG GLN A 3 3.961 5.616 4.260 1.00 5.32 C ATOM 35 CD GLN A 3 4.671 6.217 5.458 1.00 41.14 C ATOM 36 OE1 GLN A 3 4.886 5.546 6.467 1.00 12.15 O ATOM 37 NE2 GLN A 3 5.040 7.488 5.351 1.00 12.31 N ATOM 0 H GLN A 3 5.245 4.184 0.904 1.00 2.41 H new ATOM 0 HA GLN A 3 3.022 5.794 1.924 1.00 25.54 H new ATOM 0 HB2 GLN A 3 5.355 4.579 3.011 1.00 53.14 H new ATOM 0 HB3 GLN A 3 5.625 6.308 3.106 1.00 53.14 H new ATOM 0 HG2 GLN A 3 3.076 6.210 4.031 1.00 5.32 H new ATOM 0 HG3 GLN A 3 3.615 4.614 4.512 1.00 5.32 H new ATOM 0 HE21 GLN A 3 4.841 8.006 4.495 1.00 12.31 H new ATOM 0 HE22 GLN A 3 5.522 7.946 6.124 1.00 12.31 H new ATOM 46 N ASN A 4 3.952 8.148 1.504 1.00 31.23 N ATOM 47 CA ASN A 4 4.277 9.457 0.951 1.00 5.43 C ATOM 48 C ASN A 4 5.020 10.311 1.975 1.00 61.21 C ATOM 49 O ASN A 4 4.483 11.294 2.485 1.00 31.25 O ATOM 50 CB ASN A 4 3.003 10.175 0.501 1.00 65.13 C ATOM 51 CG ASN A 4 1.956 10.235 1.595 1.00 12.25 C ATOM 52 OD1 ASN A 4 1.402 9.212 1.997 1.00 24.54 O ATOM 53 ND2 ASN A 4 1.679 11.439 2.083 1.00 34.23 N ATOM 0 H ASN A 4 3.262 8.167 2.255 1.00 31.23 H new ATOM 0 HA ASN A 4 4.926 9.308 0.088 1.00 5.43 H new ATOM 0 HB2 ASN A 4 3.253 11.188 0.185 1.00 65.13 H new ATOM 0 HB3 ASN A 4 2.588 9.663 -0.367 1.00 65.13 H new ATOM 0 HD21 ASN A 4 0.982 11.542 2.821 1.00 34.23 H new ATOM 0 HD22 ASN A 4 2.163 12.260 1.720 1.00 34.23 H new ATOM 60 N ARG A 5 6.258 9.928 2.269 1.00 4.23 N ATOM 61 CA ARG A 5 7.075 10.658 3.232 1.00 32.51 C ATOM 62 C ARG A 5 8.560 10.453 2.950 1.00 25.15 C ATOM 63 O ARG A 5 9.241 11.359 2.472 1.00 42.52 O ATOM 64 CB ARG A 5 6.748 10.205 4.656 1.00 12.35 C ATOM 65 CG ARG A 5 7.358 11.090 5.731 1.00 21.45 C ATOM 66 CD ARG A 5 7.320 10.416 7.095 1.00 51.55 C ATOM 67 NE ARG A 5 8.639 10.372 7.720 1.00 71.41 N ATOM 68 CZ ARG A 5 8.854 9.916 8.949 1.00 43.10 C ATOM 69 NH1 ARG A 5 7.843 9.468 9.680 1.00 2.34 N ATOM 70 NH2 ARG A 5 10.084 9.907 9.449 1.00 54.34 N ATOM 0 H ARG A 5 6.717 9.117 1.855 1.00 4.23 H new ATOM 0 HA ARG A 5 6.847 11.719 3.134 1.00 32.51 H new ATOM 0 HB2 ARG A 5 5.666 10.187 4.783 1.00 12.35 H new ATOM 0 HB3 ARG A 5 7.102 9.183 4.794 1.00 12.35 H new ATOM 0 HG2 ARG A 5 8.390 11.325 5.469 1.00 21.45 H new ATOM 0 HG3 ARG A 5 6.817 12.035 5.776 1.00 21.45 H new ATOM 0 HD2 ARG A 5 6.628 10.952 7.745 1.00 51.55 H new ATOM 0 HD3 ARG A 5 6.936 9.402 6.988 1.00 51.55 H new ATOM 0 HE ARG A 5 9.438 10.710 7.184 1.00 71.41 H new ATOM 0 HH11 ARG A 5 6.897 9.473 9.299 1.00 2.34 H new ATOM 0 HH12 ARG A 5 8.011 9.118 10.623 1.00 2.34 H new ATOM 0 HH21 ARG A 5 10.865 10.250 8.889 1.00 54.34 H new ATOM 0 HH22 ARG A 5 10.248 9.557 10.393 1.00 54.34 H new ATOM 84 N GLN A 6 9.055 9.257 3.252 1.00 63.44 N ATOM 85 CA GLN A 6 10.460 8.934 3.032 1.00 42.32 C ATOM 86 C GLN A 6 10.607 7.577 2.351 1.00 4.34 C ATOM 87 O GLN A 6 9.731 6.718 2.460 1.00 4.12 O ATOM 88 CB GLN A 6 11.220 8.937 4.360 1.00 52.45 C ATOM 89 CG GLN A 6 11.238 7.585 5.053 1.00 21.22 C ATOM 90 CD GLN A 6 9.847 7.028 5.283 1.00 71.35 C ATOM 91 OE1 GLN A 6 8.940 7.745 5.705 1.00 2.54 O ATOM 92 NE2 GLN A 6 9.671 5.741 5.004 1.00 53.42 N ATOM 0 H GLN A 6 8.504 8.496 3.649 1.00 63.44 H new ATOM 0 HA GLN A 6 10.884 9.696 2.377 1.00 42.32 H new ATOM 0 HB2 GLN A 6 12.246 9.258 4.181 1.00 52.45 H new ATOM 0 HB3 GLN A 6 10.768 9.672 5.026 1.00 52.45 H new ATOM 0 HG2 GLN A 6 11.812 6.880 4.452 1.00 21.22 H new ATOM 0 HG3 GLN A 6 11.751 7.679 6.010 1.00 21.22 H new ATOM 0 HE21 GLN A 6 10.451 5.183 4.656 1.00 53.42 H new ATOM 0 HE22 GLN A 6 8.756 5.311 5.138 1.00 53.42 H new ATOM 101 N LEU A 7 11.720 7.391 1.649 1.00 35.33 N ATOM 102 CA LEU A 7 11.982 6.137 0.950 1.00 12.42 C ATOM 103 C LEU A 7 13.151 5.393 1.587 1.00 43.23 C ATOM 104 O LEU A 7 14.256 5.927 1.695 1.00 12.55 O ATOM 105 CB LEU A 7 12.277 6.406 -0.526 1.00 53.45 C ATOM 106 CG LEU A 7 11.084 6.306 -1.478 1.00 40.51 C ATOM 107 CD1 LEU A 7 10.825 4.857 -1.859 1.00 12.12 C ATOM 108 CD2 LEU A 7 9.845 6.924 -0.847 1.00 33.23 C ATOM 0 H LEU A 7 12.455 8.092 1.549 1.00 35.33 H new ATOM 0 HA LEU A 7 11.092 5.512 1.028 1.00 12.42 H new ATOM 0 HB2 LEU A 7 12.704 7.405 -0.614 1.00 53.45 H new ATOM 0 HB3 LEU A 7 13.041 5.702 -0.857 1.00 53.45 H new ATOM 0 HG LEU A 7 11.320 6.862 -2.386 1.00 40.51 H new ATOM 0 HD11 LEU A 7 9.973 4.806 -2.537 1.00 12.12 H new ATOM 0 HD12 LEU A 7 11.706 4.448 -2.353 1.00 12.12 H new ATOM 0 HD13 LEU A 7 10.610 4.278 -0.961 1.00 12.12 H new ATOM 0 HD21 LEU A 7 9.006 6.844 -1.538 1.00 33.23 H new ATOM 0 HD22 LEU A 7 9.606 6.397 0.077 1.00 33.23 H new ATOM 0 HD23 LEU A 7 10.034 7.975 -0.627 1.00 33.23 H new ATOM 120 N LEU A 8 12.902 4.157 2.004 1.00 61.11 N ATOM 121 CA LEU A 8 13.935 3.337 2.628 1.00 41.22 C ATOM 122 C LEU A 8 15.190 3.290 1.762 1.00 51.41 C ATOM 123 O LEU A 8 16.188 3.946 2.062 1.00 62.33 O ATOM 124 CB LEU A 8 13.413 1.919 2.867 1.00 44.30 C ATOM 125 CG LEU A 8 13.167 1.532 4.325 1.00 32.15 C ATOM 126 CD1 LEU A 8 11.716 1.782 4.706 1.00 11.12 C ATOM 127 CD2 LEU A 8 13.538 0.075 4.560 1.00 22.05 C ATOM 0 H LEU A 8 11.994 3.700 1.922 1.00 61.11 H new ATOM 0 HA LEU A 8 14.194 3.789 3.586 1.00 41.22 H new ATOM 0 HB2 LEU A 8 12.479 1.800 2.318 1.00 44.30 H new ATOM 0 HB3 LEU A 8 14.126 1.214 2.440 1.00 44.30 H new ATOM 0 HG LEU A 8 13.800 2.154 4.958 1.00 32.15 H new ATOM 0 HD11 LEU A 8 11.560 1.501 5.747 1.00 11.12 H new ATOM 0 HD12 LEU A 8 11.483 2.839 4.577 1.00 11.12 H new ATOM 0 HD13 LEU A 8 11.064 1.186 4.067 1.00 11.12 H new ATOM 0 HD21 LEU A 8 13.356 -0.183 5.603 1.00 22.05 H new ATOM 0 HD22 LEU A 8 12.931 -0.563 3.918 1.00 22.05 H new ATOM 0 HD23 LEU A 8 14.592 -0.074 4.328 1.00 22.05 H new ATOM 139 N TYR A 9 15.131 2.513 0.686 1.00 2.32 N ATOM 140 CA TYR A 9 16.263 2.381 -0.224 1.00 31.14 C ATOM 141 C TYR A 9 15.891 1.532 -1.435 1.00 62.34 C ATOM 142 O TYR A 9 16.297 0.376 -1.564 1.00 53.31 O ATOM 143 CB TYR A 9 17.457 1.759 0.502 1.00 44.12 C ATOM 144 CG TYR A 9 17.065 0.771 1.577 1.00 4.12 C ATOM 145 CD1 TYR A 9 16.747 -0.543 1.258 1.00 73.14 C ATOM 146 CD2 TYR A 9 17.013 1.152 2.912 1.00 35.33 C ATOM 147 CE1 TYR A 9 16.387 -1.449 2.237 1.00 63.34 C ATOM 148 CE2 TYR A 9 16.656 0.252 3.898 1.00 53.10 C ATOM 149 CZ TYR A 9 16.344 -1.047 3.555 1.00 32.02 C ATOM 150 OH TYR A 9 15.986 -1.946 4.534 1.00 44.20 O ATOM 0 H TYR A 9 14.312 1.965 0.423 1.00 2.32 H new ATOM 0 HA TYR A 9 16.536 3.377 -0.572 1.00 31.14 H new ATOM 0 HB2 TYR A 9 18.093 1.257 -0.227 1.00 44.12 H new ATOM 0 HB3 TYR A 9 18.053 2.554 0.951 1.00 44.12 H new ATOM 0 HD1 TYR A 9 16.782 -0.862 0.227 1.00 73.14 H new ATOM 0 HD2 TYR A 9 17.256 2.169 3.184 1.00 35.33 H new ATOM 0 HE1 TYR A 9 16.141 -2.466 1.971 1.00 63.34 H new ATOM 0 HE2 TYR A 9 16.621 0.564 4.931 1.00 53.10 H new ATOM 0 HH TYR A 9 15.036 -2.169 4.442 1.00 44.20 H new ATOM 160 N PRO A 10 15.101 2.117 -2.347 1.00 13.50 N ATOM 161 CA PRO A 10 14.657 1.435 -3.566 1.00 20.52 C ATOM 162 C PRO A 10 15.797 1.212 -4.554 1.00 2.43 C ATOM 163 O PRO A 10 16.415 2.166 -5.027 1.00 63.03 O ATOM 164 CB PRO A 10 13.620 2.395 -4.153 1.00 41.22 C ATOM 165 CG PRO A 10 14.003 3.735 -3.626 1.00 21.23 C ATOM 166 CD PRO A 10 14.580 3.492 -2.258 1.00 73.13 C ATOM 0 HA PRO A 10 14.265 0.440 -3.356 1.00 20.52 H new ATOM 0 HB2 PRO A 10 13.637 2.378 -5.243 1.00 41.22 H new ATOM 0 HB3 PRO A 10 12.610 2.123 -3.846 1.00 41.22 H new ATOM 0 HG2 PRO A 10 14.732 4.217 -4.277 1.00 21.23 H new ATOM 0 HG3 PRO A 10 13.138 4.396 -3.573 1.00 21.23 H new ATOM 0 HD2 PRO A 10 15.369 4.206 -2.022 1.00 73.13 H new ATOM 0 HD3 PRO A 10 13.822 3.585 -1.480 1.00 73.13 H new ATOM 174 N ARG A 11 16.070 -0.052 -4.861 1.00 3.55 N ATOM 175 CA ARG A 11 17.137 -0.398 -5.792 1.00 20.21 C ATOM 176 C ARG A 11 17.239 -1.911 -5.963 1.00 22.13 C ATOM 177 O ARG A 11 17.524 -2.404 -7.054 1.00 11.24 O ATOM 178 CB ARG A 11 18.473 0.162 -5.301 1.00 64.22 C ATOM 179 CG ARG A 11 18.700 -0.023 -3.810 1.00 25.13 C ATOM 180 CD ARG A 11 20.169 -0.258 -3.495 1.00 24.52 C ATOM 181 NE ARG A 11 20.350 -1.241 -2.430 1.00 2.05 N ATOM 182 CZ ARG A 11 21.538 -1.683 -2.031 1.00 11.41 C ATOM 183 NH1 ARG A 11 22.644 -1.231 -2.606 1.00 30.11 N ATOM 184 NH2 ARG A 11 21.621 -2.577 -1.055 1.00 31.44 N ATOM 0 H ARG A 11 15.567 -0.853 -4.479 1.00 3.55 H new ATOM 0 HA ARG A 11 16.899 0.045 -6.759 1.00 20.21 H new ATOM 0 HB2 ARG A 11 19.283 -0.323 -5.846 1.00 64.22 H new ATOM 0 HB3 ARG A 11 18.521 1.225 -5.538 1.00 64.22 H new ATOM 0 HG2 ARG A 11 18.349 0.859 -3.275 1.00 25.13 H new ATOM 0 HG3 ARG A 11 18.111 -0.868 -3.453 1.00 25.13 H new ATOM 0 HD2 ARG A 11 20.682 -0.599 -4.394 1.00 24.52 H new ATOM 0 HD3 ARG A 11 20.632 0.684 -3.201 1.00 24.52 H new ATOM 0 HE ARG A 11 19.519 -1.608 -1.967 1.00 2.05 H new ATOM 0 HH11 ARG A 11 22.584 -0.543 -3.356 1.00 30.11 H new ATOM 0 HH12 ARG A 11 23.555 -1.572 -2.298 1.00 30.11 H new ATOM 0 HH21 ARG A 11 20.772 -2.926 -0.610 1.00 31.44 H new ATOM 0 HH22 ARG A 11 22.533 -2.915 -0.750 1.00 31.44 H new ATOM 198 N GLU A 12 17.005 -2.641 -4.877 1.00 24.34 N ATOM 199 CA GLU A 12 17.073 -4.098 -4.907 1.00 52.41 C ATOM 200 C GLU A 12 16.206 -4.659 -6.031 1.00 21.04 C ATOM 201 O GLU A 12 16.491 -5.726 -6.573 1.00 72.11 O ATOM 202 CB GLU A 12 16.626 -4.679 -3.564 1.00 71.22 C ATOM 203 CG GLU A 12 17.191 -6.061 -3.281 1.00 74.12 C ATOM 204 CD GLU A 12 18.331 -6.032 -2.282 1.00 51.11 C ATOM 205 OE1 GLU A 12 18.056 -5.873 -1.074 1.00 65.40 O ATOM 206 OE2 GLU A 12 19.497 -6.167 -2.708 1.00 30.23 O ATOM 0 H GLU A 12 16.767 -2.248 -3.966 1.00 24.34 H new ATOM 0 HA GLU A 12 18.108 -4.385 -5.092 1.00 52.41 H new ATOM 0 HB2 GLU A 12 16.929 -4.001 -2.766 1.00 71.22 H new ATOM 0 HB3 GLU A 12 15.537 -4.729 -3.544 1.00 71.22 H new ATOM 0 HG2 GLU A 12 16.396 -6.703 -2.901 1.00 74.12 H new ATOM 0 HG3 GLU A 12 17.541 -6.504 -4.213 1.00 74.12 H new ATOM 213 N GLU A 13 15.147 -3.932 -6.373 1.00 43.32 N ATOM 214 CA GLU A 13 14.238 -4.358 -7.431 1.00 5.03 C ATOM 215 C GLU A 13 14.603 -3.700 -8.759 1.00 35.42 C ATOM 216 O GLU A 13 14.373 -4.267 -9.827 1.00 41.41 O ATOM 217 CB GLU A 13 12.794 -4.018 -7.060 1.00 15.32 C ATOM 218 CG GLU A 13 12.457 -4.298 -5.605 1.00 14.51 C ATOM 219 CD GLU A 13 12.793 -5.717 -5.191 1.00 2.13 C ATOM 220 OE1 GLU A 13 12.867 -6.592 -6.079 1.00 13.21 O ATOM 221 OE2 GLU A 13 12.983 -5.953 -3.979 1.00 52.13 O ATOM 0 H GLU A 13 14.897 -3.046 -5.933 1.00 43.32 H new ATOM 0 HA GLU A 13 14.332 -5.438 -7.543 1.00 5.03 H new ATOM 0 HB2 GLU A 13 12.613 -2.964 -7.270 1.00 15.32 H new ATOM 0 HB3 GLU A 13 12.120 -4.590 -7.697 1.00 15.32 H new ATOM 0 HG2 GLU A 13 13.001 -3.600 -4.969 1.00 14.51 H new ATOM 0 HG3 GLU A 13 11.395 -4.118 -5.441 1.00 14.51 H new ATOM 228 N MET A 14 15.171 -2.501 -8.682 1.00 72.55 N ATOM 229 CA MET A 14 15.567 -1.767 -9.878 1.00 43.31 C ATOM 230 C MET A 14 16.410 -2.642 -10.800 1.00 72.51 C ATOM 231 O MET A 14 16.270 -2.589 -12.022 1.00 74.50 O ATOM 232 CB MET A 14 16.350 -0.510 -9.494 1.00 1.40 C ATOM 233 CG MET A 14 15.490 0.572 -8.861 1.00 0.11 C ATOM 234 SD MET A 14 14.306 1.284 -10.019 1.00 53.21 S ATOM 235 CE MET A 14 12.900 1.554 -8.943 1.00 11.35 C ATOM 0 H MET A 14 15.367 -2.018 -7.805 1.00 72.55 H new ATOM 0 HA MET A 14 14.662 -1.475 -10.411 1.00 43.31 H new ATOM 0 HB2 MET A 14 17.144 -0.784 -8.799 1.00 1.40 H new ATOM 0 HB3 MET A 14 16.831 -0.106 -10.384 1.00 1.40 H new ATOM 0 HG2 MET A 14 14.953 0.152 -8.010 1.00 0.11 H new ATOM 0 HG3 MET A 14 16.134 1.362 -8.474 1.00 0.11 H new ATOM 0 HE1 MET A 14 12.085 0.893 -9.237 1.00 11.35 H new ATOM 0 HE2 MET A 14 13.185 1.343 -7.912 1.00 11.35 H new ATOM 0 HE3 MET A 14 12.573 2.591 -9.024 1.00 11.35 H new ATOM 245 N VAL A 15 17.285 -3.448 -10.207 1.00 4.21 N ATOM 246 CA VAL A 15 18.150 -4.336 -10.975 1.00 51.42 C ATOM 247 C VAL A 15 17.365 -5.514 -11.540 1.00 32.35 C ATOM 248 O VAL A 15 17.702 -6.049 -12.596 1.00 34.01 O ATOM 249 CB VAL A 15 19.311 -4.871 -10.116 1.00 12.52 C ATOM 250 CG1 VAL A 15 20.237 -3.736 -9.703 1.00 74.41 C ATOM 251 CG2 VAL A 15 18.776 -5.604 -8.895 1.00 54.12 C ATOM 0 H VAL A 15 17.414 -3.504 -9.197 1.00 4.21 H new ATOM 0 HA VAL A 15 18.558 -3.747 -11.797 1.00 51.42 H new ATOM 0 HB VAL A 15 19.886 -5.578 -10.713 1.00 12.52 H new ATOM 0 HG11 VAL A 15 21.051 -4.133 -9.097 1.00 74.41 H new ATOM 0 HG12 VAL A 15 20.647 -3.259 -10.593 1.00 74.41 H new ATOM 0 HG13 VAL A 15 19.677 -3.002 -9.123 1.00 74.41 H new ATOM 0 HG21 VAL A 15 19.610 -5.975 -8.299 1.00 54.12 H new ATOM 0 HG22 VAL A 15 18.177 -4.920 -8.294 1.00 54.12 H new ATOM 0 HG23 VAL A 15 18.158 -6.442 -9.216 1.00 54.12 H new ATOM 261 N SER A 16 16.316 -5.914 -10.828 1.00 74.32 N ATOM 262 CA SER A 16 15.483 -7.033 -11.256 1.00 43.43 C ATOM 263 C SER A 16 14.946 -6.802 -12.665 1.00 40.45 C ATOM 264 O SER A 16 15.004 -7.689 -13.518 1.00 12.11 O ATOM 265 CB SER A 16 14.321 -7.233 -10.282 1.00 22.33 C ATOM 266 OG SER A 16 14.110 -8.609 -10.017 1.00 31.24 O ATOM 0 H SER A 16 16.023 -5.480 -9.953 1.00 74.32 H new ATOM 0 HA SER A 16 16.100 -7.931 -11.263 1.00 43.43 H new ATOM 0 HB2 SER A 16 14.529 -6.707 -9.350 1.00 22.33 H new ATOM 0 HB3 SER A 16 13.413 -6.796 -10.699 1.00 22.33 H new ATOM 0 HG SER A 16 13.363 -8.711 -9.391 1.00 31.24 H new ATOM 272 N LEU A 17 14.423 -5.604 -12.903 1.00 43.23 N ATOM 273 CA LEU A 17 13.875 -5.254 -14.209 1.00 51.11 C ATOM 274 C LEU A 17 14.921 -5.433 -15.305 1.00 32.22 C ATOM 275 O LEU A 17 14.797 -6.312 -16.158 1.00 53.44 O ATOM 276 CB LEU A 17 13.370 -3.810 -14.202 1.00 33.12 C ATOM 277 CG LEU A 17 12.306 -3.476 -13.155 1.00 71.53 C ATOM 278 CD1 LEU A 17 11.492 -4.714 -12.808 1.00 43.40 C ATOM 279 CD2 LEU A 17 12.951 -2.892 -11.907 1.00 34.21 C ATOM 0 H LEU A 17 14.367 -4.859 -12.209 1.00 43.23 H new ATOM 0 HA LEU A 17 13.040 -5.924 -14.416 1.00 51.11 H new ATOM 0 HB2 LEU A 17 14.223 -3.149 -14.048 1.00 33.12 H new ATOM 0 HB3 LEU A 17 12.965 -3.583 -15.188 1.00 33.12 H new ATOM 0 HG LEU A 17 11.632 -2.729 -13.574 1.00 71.53 H new ATOM 0 HD11 LEU A 17 10.740 -4.458 -12.062 1.00 43.40 H new ATOM 0 HD12 LEU A 17 11.000 -5.089 -13.705 1.00 43.40 H new ATOM 0 HD13 LEU A 17 12.152 -5.483 -12.408 1.00 43.40 H new ATOM 0 HD21 LEU A 17 12.179 -2.660 -11.173 1.00 34.21 H new ATOM 0 HD22 LEU A 17 13.648 -3.616 -11.485 1.00 34.21 H new ATOM 0 HD23 LEU A 17 13.489 -1.981 -12.168 1.00 34.21 H new ATOM 291 N VAL A 18 15.953 -4.596 -15.274 1.00 13.25 N ATOM 292 CA VAL A 18 17.023 -4.664 -16.262 1.00 15.32 C ATOM 293 C VAL A 18 17.560 -6.084 -16.393 1.00 61.31 C ATOM 294 O VAL A 18 17.981 -6.502 -17.472 1.00 22.33 O ATOM 295 CB VAL A 18 18.183 -3.719 -15.898 1.00 43.22 C ATOM 296 CG1 VAL A 18 18.844 -4.159 -14.601 1.00 31.04 C ATOM 297 CG2 VAL A 18 19.198 -3.662 -17.030 1.00 50.01 C ATOM 0 H VAL A 18 16.071 -3.863 -14.575 1.00 13.25 H new ATOM 0 HA VAL A 18 16.595 -4.352 -17.215 1.00 15.32 H new ATOM 0 HB VAL A 18 17.780 -2.717 -15.750 1.00 43.22 H new ATOM 0 HG11 VAL A 18 19.661 -3.479 -14.360 1.00 31.04 H new ATOM 0 HG12 VAL A 18 18.110 -4.144 -13.795 1.00 31.04 H new ATOM 0 HG13 VAL A 18 19.235 -5.170 -14.717 1.00 31.04 H new ATOM 0 HG21 VAL A 18 20.011 -2.990 -16.756 1.00 50.01 H new ATOM 0 HG22 VAL A 18 19.598 -4.660 -17.211 1.00 50.01 H new ATOM 0 HG23 VAL A 18 18.713 -3.296 -17.935 1.00 50.01 H new ATOM 307 N ARG A 19 17.542 -6.822 -15.288 1.00 23.31 N ATOM 308 CA ARG A 19 18.029 -8.197 -15.279 1.00 53.41 C ATOM 309 C ARG A 19 17.068 -9.118 -16.026 1.00 5.03 C ATOM 310 O ARG A 19 17.493 -10.036 -16.727 1.00 52.05 O ATOM 311 CB ARG A 19 18.209 -8.687 -13.841 1.00 72.13 C ATOM 312 CG ARG A 19 19.563 -8.340 -13.245 1.00 21.43 C ATOM 313 CD ARG A 19 20.200 -9.546 -12.571 1.00 41.20 C ATOM 314 NE ARG A 19 19.324 -10.136 -11.563 1.00 74.21 N ATOM 315 CZ ARG A 19 19.547 -11.316 -10.995 1.00 3.23 C ATOM 316 NH1 ARG A 19 20.614 -12.027 -11.333 1.00 51.13 N ATOM 317 NH2 ARG A 19 18.703 -11.786 -10.085 1.00 64.22 N ATOM 0 H ARG A 19 17.196 -6.491 -14.387 1.00 23.31 H new ATOM 0 HA ARG A 19 18.994 -8.219 -15.786 1.00 53.41 H new ATOM 0 HB2 ARG A 19 17.426 -8.255 -13.218 1.00 72.13 H new ATOM 0 HB3 ARG A 19 18.076 -9.769 -13.815 1.00 72.13 H new ATOM 0 HG2 ARG A 19 20.223 -7.969 -14.029 1.00 21.43 H new ATOM 0 HG3 ARG A 19 19.447 -7.535 -12.519 1.00 21.43 H new ATOM 0 HD2 ARG A 19 20.443 -10.296 -13.324 1.00 41.20 H new ATOM 0 HD3 ARG A 19 21.139 -9.247 -12.105 1.00 41.20 H new ATOM 0 HE ARG A 19 18.495 -9.613 -11.279 1.00 74.21 H new ATOM 0 HH11 ARG A 19 21.266 -11.668 -12.031 1.00 51.13 H new ATOM 0 HH12 ARG A 19 20.783 -12.933 -10.895 1.00 51.13 H new ATOM 0 HH21 ARG A 19 17.882 -11.241 -9.821 1.00 64.22 H new ATOM 0 HH22 ARG A 19 18.875 -12.692 -9.650 1.00 64.22 H new ATOM 331 N SER A 20 15.773 -8.866 -15.869 1.00 32.54 N ATOM 332 CA SER A 20 14.752 -9.676 -16.524 1.00 41.21 C ATOM 333 C SER A 20 14.899 -9.612 -18.041 1.00 44.43 C ATOM 334 O SER A 20 14.587 -10.571 -18.748 1.00 43.34 O ATOM 335 CB SER A 20 13.356 -9.203 -16.115 1.00 52.44 C ATOM 336 OG SER A 20 12.456 -9.264 -17.209 1.00 3.13 O ATOM 0 H SER A 20 15.405 -8.108 -15.294 1.00 32.54 H new ATOM 0 HA SER A 20 14.885 -10.710 -16.207 1.00 41.21 H new ATOM 0 HB2 SER A 20 12.984 -9.822 -15.299 1.00 52.44 H new ATOM 0 HB3 SER A 20 13.410 -8.181 -15.741 1.00 52.44 H new ATOM 0 HG SER A 20 11.984 -8.409 -17.292 1.00 3.13 H new ATOM 342 N LEU A 21 15.377 -8.475 -18.535 1.00 51.42 N ATOM 343 CA LEU A 21 15.566 -8.283 -19.969 1.00 25.11 C ATOM 344 C LEU A 21 17.039 -8.415 -20.346 1.00 34.00 C ATOM 345 O LEU A 21 17.917 -8.358 -19.486 1.00 5.32 O ATOM 346 CB LEU A 21 15.040 -6.911 -20.394 1.00 62.22 C ATOM 347 CG LEU A 21 15.855 -5.705 -19.925 1.00 72.13 C ATOM 348 CD1 LEU A 21 16.461 -4.976 -21.114 1.00 51.51 C ATOM 349 CD2 LEU A 21 14.987 -4.762 -19.104 1.00 62.24 C ATOM 0 H LEU A 21 15.641 -7.672 -17.964 1.00 51.42 H new ATOM 0 HA LEU A 21 15.005 -9.058 -20.492 1.00 25.11 H new ATOM 0 HB2 LEU A 21 14.985 -6.886 -21.482 1.00 62.22 H new ATOM 0 HB3 LEU A 21 14.021 -6.803 -20.021 1.00 62.22 H new ATOM 0 HG LEU A 21 16.667 -6.063 -19.292 1.00 72.13 H new ATOM 0 HD11 LEU A 21 17.037 -4.121 -20.761 1.00 51.51 H new ATOM 0 HD12 LEU A 21 17.116 -5.654 -21.661 1.00 51.51 H new ATOM 0 HD13 LEU A 21 15.665 -4.630 -21.773 1.00 51.51 H new ATOM 0 HD21 LEU A 21 15.583 -3.909 -18.778 1.00 62.24 H new ATOM 0 HD22 LEU A 21 14.154 -4.411 -19.713 1.00 62.24 H new ATOM 0 HD23 LEU A 21 14.601 -5.289 -18.232 1.00 62.24 H new ATOM 361 N ASP A 22 17.300 -8.590 -21.637 1.00 11.24 N ATOM 362 CA ASP A 22 18.666 -8.726 -22.129 1.00 31.34 C ATOM 363 C ASP A 22 18.679 -8.973 -23.634 1.00 3.01 C ATOM 364 O ASP A 22 18.594 -10.115 -24.087 1.00 15.45 O ATOM 365 CB ASP A 22 19.379 -9.870 -21.405 1.00 41.15 C ATOM 366 CG ASP A 22 20.751 -9.469 -20.900 1.00 12.25 C ATOM 367 OD1 ASP A 22 21.612 -9.118 -21.733 1.00 62.55 O ATOM 368 OD2 ASP A 22 20.963 -9.504 -19.670 1.00 32.34 O ATOM 0 H ASP A 22 16.584 -8.641 -22.361 1.00 11.24 H new ATOM 0 HA ASP A 22 19.194 -7.794 -21.928 1.00 31.34 H new ATOM 0 HB2 ASP A 22 18.768 -10.201 -20.565 1.00 41.15 H new ATOM 0 HB3 ASP A 22 19.478 -10.719 -22.082 1.00 41.15 H new ATOM 373 N ARG A 23 18.786 -7.895 -24.404 1.00 62.21 N ATOM 374 CA ARG A 23 18.808 -7.995 -25.858 1.00 43.54 C ATOM 375 C ARG A 23 19.431 -6.748 -26.479 1.00 43.52 C ATOM 376 O ARG A 23 18.768 -5.967 -27.162 1.00 42.23 O ATOM 377 CB ARG A 23 17.391 -8.193 -26.399 1.00 10.41 C ATOM 378 CG ARG A 23 17.330 -9.065 -27.642 1.00 54.12 C ATOM 379 CD ARG A 23 17.862 -10.463 -27.369 1.00 10.23 C ATOM 380 NE ARG A 23 17.208 -11.083 -26.219 1.00 53.45 N ATOM 381 CZ ARG A 23 17.119 -12.396 -26.044 1.00 63.44 C ATOM 382 NH1 ARG A 23 17.641 -13.224 -26.939 1.00 22.32 N ATOM 383 NH2 ARG A 23 16.508 -12.884 -24.972 1.00 62.44 N ATOM 0 H ARG A 23 18.859 -6.943 -24.045 1.00 62.21 H new ATOM 0 HA ARG A 23 19.416 -8.858 -26.128 1.00 43.54 H new ATOM 0 HB2 ARG A 23 16.773 -8.641 -25.621 1.00 10.41 H new ATOM 0 HB3 ARG A 23 16.959 -7.219 -26.627 1.00 10.41 H new ATOM 0 HG2 ARG A 23 16.300 -9.129 -27.993 1.00 54.12 H new ATOM 0 HG3 ARG A 23 17.911 -8.603 -28.441 1.00 54.12 H new ATOM 0 HD2 ARG A 23 17.712 -11.086 -28.251 1.00 10.23 H new ATOM 0 HD3 ARG A 23 18.936 -10.414 -27.192 1.00 10.23 H new ATOM 0 HE ARG A 23 16.797 -10.474 -25.512 1.00 53.45 H new ATOM 0 HH11 ARG A 23 18.112 -12.852 -27.764 1.00 22.32 H new ATOM 0 HH12 ARG A 23 17.571 -14.232 -26.802 1.00 22.32 H new ATOM 0 HH21 ARG A 23 16.106 -12.250 -24.281 1.00 62.44 H new ATOM 0 HH22 ARG A 23 16.440 -13.893 -24.839 1.00 62.44 H new ATOM 397 N PRO A 24 20.736 -6.554 -26.237 1.00 22.33 N ATOM 398 CA PRO A 24 21.477 -5.404 -26.763 1.00 23.14 C ATOM 399 C PRO A 24 21.669 -5.480 -28.274 1.00 11.55 C ATOM 400 O PRO A 24 22.745 -5.832 -28.754 1.00 64.43 O ATOM 401 CB PRO A 24 22.828 -5.495 -26.047 1.00 55.22 C ATOM 402 CG PRO A 24 22.978 -6.937 -25.703 1.00 51.53 C ATOM 403 CD PRO A 24 21.589 -7.444 -25.431 1.00 30.31 C ATOM 0 HA PRO A 24 20.950 -4.466 -26.590 1.00 23.14 H new ATOM 0 HB2 PRO A 24 23.640 -5.155 -26.689 1.00 55.22 H new ATOM 0 HB3 PRO A 24 22.845 -4.871 -25.153 1.00 55.22 H new ATOM 0 HG2 PRO A 24 23.441 -7.487 -26.522 1.00 51.53 H new ATOM 0 HG3 PRO A 24 23.618 -7.066 -24.830 1.00 51.53 H new ATOM 0 HD2 PRO A 24 21.476 -8.486 -25.729 1.00 30.31 H new ATOM 0 HD3 PRO A 24 21.341 -7.387 -24.371 1.00 30.31 H new ATOM 411 N GLN A 25 20.618 -5.146 -29.016 1.00 43.50 N ATOM 412 CA GLN A 25 20.672 -5.176 -30.473 1.00 24.22 C ATOM 413 C GLN A 25 21.547 -4.048 -31.009 1.00 11.50 C ATOM 414 O GLN A 25 22.437 -4.275 -31.828 1.00 33.33 O ATOM 415 CB GLN A 25 19.264 -5.068 -31.059 1.00 34.11 C ATOM 416 CG GLN A 25 18.450 -6.346 -30.927 1.00 2.50 C ATOM 417 CD GLN A 25 17.942 -6.854 -32.262 1.00 22.44 C ATOM 418 OE1 GLN A 25 16.735 -6.936 -32.489 1.00 52.33 O ATOM 419 NE2 GLN A 25 18.863 -7.200 -33.153 1.00 65.22 N ATOM 0 H GLN A 25 19.720 -4.852 -28.633 1.00 43.50 H new ATOM 0 HA GLN A 25 21.111 -6.127 -30.775 1.00 24.22 H new ATOM 0 HB2 GLN A 25 18.734 -4.256 -30.561 1.00 34.11 H new ATOM 0 HB3 GLN A 25 19.338 -4.801 -32.113 1.00 34.11 H new ATOM 0 HG2 GLN A 25 19.063 -7.116 -30.459 1.00 2.50 H new ATOM 0 HG3 GLN A 25 17.603 -6.166 -30.265 1.00 2.50 H new ATOM 0 HE21 GLN A 25 19.853 -7.116 -32.922 1.00 65.22 H new ATOM 0 HE22 GLN A 25 18.581 -7.550 -34.068 1.00 65.22 H new ATOM 428 N GLU A 26 21.286 -2.831 -30.542 1.00 4.54 N ATOM 429 CA GLU A 26 22.050 -1.667 -30.976 1.00 51.40 C ATOM 430 C GLU A 26 23.415 -1.626 -30.295 1.00 13.14 C ATOM 431 O GLU A 26 24.442 -1.449 -30.949 1.00 35.14 O ATOM 432 CB GLU A 26 21.278 -0.381 -30.673 1.00 50.44 C ATOM 433 CG GLU A 26 20.724 0.303 -31.912 1.00 64.14 C ATOM 434 CD GLU A 26 21.645 1.385 -32.442 1.00 10.31 C ATOM 435 OE1 GLU A 26 22.240 2.113 -31.620 1.00 42.12 O ATOM 436 OE2 GLU A 26 21.770 1.504 -33.679 1.00 20.01 O ATOM 0 H GLU A 26 20.552 -2.626 -29.864 1.00 4.54 H new ATOM 0 HA GLU A 26 22.203 -1.746 -32.052 1.00 51.40 H new ATOM 0 HB2 GLU A 26 20.455 -0.612 -29.997 1.00 50.44 H new ATOM 0 HB3 GLU A 26 21.936 0.313 -30.149 1.00 50.44 H new ATOM 0 HG2 GLU A 26 20.559 -0.442 -32.690 1.00 64.14 H new ATOM 0 HG3 GLU A 26 19.753 0.740 -31.678 1.00 64.14 H new ATOM 443 N ASN A 27 23.416 -1.790 -28.976 1.00 21.43 N ATOM 444 CA ASN A 27 24.654 -1.771 -28.204 1.00 72.35 C ATOM 445 C ASN A 27 25.470 -0.520 -28.516 1.00 73.40 C ATOM 446 O ASN A 27 26.607 -0.607 -28.978 1.00 32.15 O ATOM 447 CB ASN A 27 25.483 -3.022 -28.501 1.00 65.15 C ATOM 448 CG ASN A 27 26.535 -3.284 -27.441 1.00 2.53 C ATOM 449 OD1 ASN A 27 26.115 -3.857 -26.319 1.00 31.44 O flip ATOM 450 ND2 ASN A 27 27.712 -2.973 -27.628 1.00 74.45 N flip ATOM 0 H ASN A 27 22.574 -1.937 -28.419 1.00 21.43 H new ATOM 0 HA ASN A 27 24.394 -1.759 -27.146 1.00 72.35 H new ATOM 0 HB2 ASN A 27 24.821 -3.885 -28.573 1.00 65.15 H new ATOM 0 HB3 ASN A 27 25.968 -2.911 -29.471 1.00 65.15 H new ATOM 0 HD21 ASN A 27 27.990 -2.534 -28.506 1.00 74.45 H new ATOM 0 HD22 ASN A 27 28.408 -3.154 -26.905 1.00 74.45 H new ATOM 457 N GLY A 28 24.880 0.643 -28.259 1.00 41.54 N ATOM 458 CA GLY A 28 25.567 1.896 -28.518 1.00 35.31 C ATOM 459 C GLY A 28 24.926 3.067 -27.800 1.00 20.12 C ATOM 460 O GLY A 28 25.620 3.954 -27.301 1.00 21.10 O ATOM 0 H GLY A 28 23.940 0.741 -27.876 1.00 41.54 H new ATOM 0 HA2 GLY A 28 26.608 1.808 -28.206 1.00 35.31 H new ATOM 0 HA3 GLY A 28 25.571 2.090 -29.591 1.00 35.31 H new ATOM 464 N LEU A 29 23.599 3.073 -27.748 1.00 34.42 N ATOM 465 CA LEU A 29 22.863 4.145 -27.087 1.00 5.24 C ATOM 466 C LEU A 29 21.367 3.849 -27.068 1.00 24.22 C ATOM 467 O LEU A 29 20.673 4.167 -26.102 1.00 52.23 O ATOM 468 CB LEU A 29 23.122 5.478 -27.792 1.00 61.31 C ATOM 469 CG LEU A 29 22.194 6.631 -27.410 1.00 34.12 C ATOM 470 CD1 LEU A 29 22.949 7.951 -27.420 1.00 63.44 C ATOM 471 CD2 LEU A 29 21.000 6.690 -28.352 1.00 63.23 C ATOM 0 H LEU A 29 23.010 2.347 -28.156 1.00 34.42 H new ATOM 0 HA LEU A 29 23.214 4.211 -26.057 1.00 5.24 H new ATOM 0 HB2 LEU A 29 24.149 5.781 -27.587 1.00 61.31 H new ATOM 0 HB3 LEU A 29 23.046 5.318 -28.868 1.00 61.31 H new ATOM 0 HG LEU A 29 21.826 6.455 -26.399 1.00 34.12 H new ATOM 0 HD11 LEU A 29 22.272 8.760 -27.146 1.00 63.44 H new ATOM 0 HD12 LEU A 29 23.770 7.906 -26.704 1.00 63.44 H new ATOM 0 HD13 LEU A 29 23.348 8.135 -28.418 1.00 63.44 H new ATOM 0 HD21 LEU A 29 20.350 7.517 -28.065 1.00 63.23 H new ATOM 0 HD22 LEU A 29 21.349 6.841 -29.373 1.00 63.23 H new ATOM 0 HD23 LEU A 29 20.444 5.754 -28.293 1.00 63.23 H new ATOM 483 N PHE A 30 20.877 3.235 -28.140 1.00 4.30 N ATOM 484 CA PHE A 30 19.464 2.894 -28.246 1.00 54.23 C ATOM 485 C PHE A 30 19.086 1.819 -27.232 1.00 72.41 C ATOM 486 O PHE A 30 17.906 1.562 -26.993 1.00 52.34 O ATOM 487 CB PHE A 30 19.138 2.413 -29.662 1.00 3.21 C ATOM 488 CG PHE A 30 18.556 3.484 -30.540 1.00 33.32 C ATOM 489 CD1 PHE A 30 19.322 4.569 -30.933 1.00 63.33 C ATOM 490 CD2 PHE A 30 17.241 3.405 -30.971 1.00 2.21 C ATOM 491 CE1 PHE A 30 18.789 5.555 -31.741 1.00 44.44 C ATOM 492 CE2 PHE A 30 16.703 4.389 -31.779 1.00 61.53 C ATOM 493 CZ PHE A 30 17.478 5.466 -32.164 1.00 74.51 C ATOM 0 H PHE A 30 21.438 2.964 -28.947 1.00 4.30 H new ATOM 0 HA PHE A 30 18.883 3.791 -28.032 1.00 54.23 H new ATOM 0 HB2 PHE A 30 20.047 2.029 -30.125 1.00 3.21 H new ATOM 0 HB3 PHE A 30 18.435 1.582 -29.602 1.00 3.21 H new ATOM 0 HD1 PHE A 30 20.348 4.645 -30.604 1.00 63.33 H new ATOM 0 HD2 PHE A 30 16.630 2.566 -30.672 1.00 2.21 H new ATOM 0 HE1 PHE A 30 19.398 6.395 -32.041 1.00 44.44 H new ATOM 0 HE2 PHE A 30 15.677 4.316 -32.109 1.00 61.53 H new ATOM 0 HZ PHE A 30 17.059 6.236 -32.794 1.00 74.51 H new ATOM 503 N SER A 31 20.097 1.192 -26.639 1.00 32.12 N ATOM 504 CA SER A 31 19.872 0.141 -25.654 1.00 20.34 C ATOM 505 C SER A 31 20.989 0.122 -24.615 1.00 23.31 C ATOM 506 O SER A 31 21.267 -0.911 -24.006 1.00 71.11 O ATOM 507 CB SER A 31 19.778 -1.222 -26.343 1.00 12.11 C ATOM 508 OG SER A 31 19.092 -2.158 -25.530 1.00 24.42 O ATOM 0 H SER A 31 21.080 1.394 -26.824 1.00 32.12 H new ATOM 0 HA SER A 31 18.930 0.349 -25.146 1.00 20.34 H new ATOM 0 HB2 SER A 31 19.261 -1.116 -27.297 1.00 12.11 H new ATOM 0 HB3 SER A 31 20.780 -1.592 -26.563 1.00 12.11 H new ATOM 0 HG SER A 31 19.044 -3.020 -25.993 1.00 24.42 H new ATOM 514 N GLN A 32 21.626 1.272 -24.419 1.00 62.31 N ATOM 515 CA GLN A 32 22.714 1.387 -23.455 1.00 11.51 C ATOM 516 C GLN A 32 22.972 2.848 -23.098 1.00 62.33 C ATOM 517 O GLN A 32 22.302 3.748 -23.604 1.00 1.20 O ATOM 518 CB GLN A 32 23.989 0.753 -24.014 1.00 12.41 C ATOM 519 CG GLN A 32 24.463 -0.457 -23.225 1.00 52.42 C ATOM 520 CD GLN A 32 24.657 -1.682 -24.097 1.00 13.23 C ATOM 521 OE1 GLN A 32 23.624 -2.043 -24.850 1.00 50.33 O flip ATOM 522 NE2 GLN A 32 25.723 -2.298 -24.093 1.00 1.45 N flip ATOM 0 H GLN A 32 21.408 2.136 -24.914 1.00 62.31 H new ATOM 0 HA GLN A 32 22.421 0.856 -22.549 1.00 11.51 H new ATOM 0 HB2 GLN A 32 23.814 0.456 -25.048 1.00 12.41 H new ATOM 0 HB3 GLN A 32 24.781 1.501 -24.027 1.00 12.41 H new ATOM 0 HG2 GLN A 32 25.403 -0.217 -22.728 1.00 52.42 H new ATOM 0 HG3 GLN A 32 23.738 -0.683 -22.443 1.00 52.42 H new ATOM 0 HE21 GLN A 32 26.491 -1.985 -23.499 1.00 1.45 H new ATOM 0 HE22 GLN A 32 25.839 -3.121 -24.684 1.00 1.45 H new ATOM 531 N ASP A 33 23.947 3.075 -22.225 1.00 30.42 N ATOM 532 CA ASP A 33 24.294 4.426 -21.801 1.00 25.11 C ATOM 533 C ASP A 33 25.497 4.948 -22.581 1.00 54.15 C ATOM 534 O ASP A 33 26.596 4.402 -22.487 1.00 40.32 O ATOM 535 CB ASP A 33 24.594 4.452 -20.301 1.00 62.33 C ATOM 536 CG ASP A 33 23.336 4.388 -19.458 1.00 52.12 C ATOM 537 OD1 ASP A 33 22.755 5.458 -19.176 1.00 63.44 O ATOM 538 OD2 ASP A 33 22.931 3.269 -19.081 1.00 31.11 O ATOM 0 H ASP A 33 24.511 2.341 -21.797 1.00 30.42 H new ATOM 0 HA ASP A 33 23.442 5.074 -22.005 1.00 25.11 H new ATOM 0 HB2 ASP A 33 25.240 3.612 -20.048 1.00 62.33 H new ATOM 0 HB3 ASP A 33 25.144 5.361 -20.059 1.00 62.33 H new ATOM 543 N VAL A 34 25.279 6.008 -23.354 1.00 4.25 N ATOM 544 CA VAL A 34 26.345 6.604 -24.151 1.00 15.41 C ATOM 545 C VAL A 34 27.527 7.005 -23.276 1.00 63.23 C ATOM 546 O VAL A 34 28.656 7.122 -23.755 1.00 41.41 O ATOM 547 CB VAL A 34 25.845 7.843 -24.918 1.00 41.02 C ATOM 548 CG1 VAL A 34 25.354 8.909 -23.950 1.00 61.25 C ATOM 549 CG2 VAL A 34 26.944 8.392 -25.816 1.00 73.31 C ATOM 0 H VAL A 34 24.375 6.471 -23.445 1.00 4.25 H new ATOM 0 HA VAL A 34 26.667 5.847 -24.866 1.00 15.41 H new ATOM 0 HB VAL A 34 25.007 7.545 -25.548 1.00 41.02 H new ATOM 0 HG11 VAL A 34 25.005 9.776 -24.510 1.00 61.25 H new ATOM 0 HG12 VAL A 34 24.534 8.509 -23.353 1.00 61.25 H new ATOM 0 HG13 VAL A 34 26.170 9.207 -23.292 1.00 61.25 H new ATOM 0 HG21 VAL A 34 26.574 9.267 -26.350 1.00 73.31 H new ATOM 0 HG22 VAL A 34 27.803 8.675 -25.208 1.00 73.31 H new ATOM 0 HG23 VAL A 34 27.243 7.628 -26.534 1.00 73.31 H new ATOM 559 N LEU A 35 27.262 7.213 -21.991 1.00 60.23 N ATOM 560 CA LEU A 35 28.305 7.600 -21.048 1.00 21.23 C ATOM 561 C LEU A 35 29.344 6.492 -20.900 1.00 14.55 C ATOM 562 O LEU A 35 30.492 6.748 -20.535 1.00 40.31 O ATOM 563 CB LEU A 35 27.692 7.925 -19.685 1.00 12.24 C ATOM 564 CG LEU A 35 28.664 8.415 -18.611 1.00 0.40 C ATOM 565 CD1 LEU A 35 29.355 7.239 -17.939 1.00 34.11 C ATOM 566 CD2 LEU A 35 29.689 9.365 -19.213 1.00 64.14 C ATOM 0 H LEU A 35 26.334 7.120 -21.578 1.00 60.23 H new ATOM 0 HA LEU A 35 28.802 8.489 -21.438 1.00 21.23 H new ATOM 0 HB2 LEU A 35 26.925 8.686 -19.826 1.00 12.24 H new ATOM 0 HB3 LEU A 35 27.190 7.032 -19.312 1.00 12.24 H new ATOM 0 HG LEU A 35 28.096 8.957 -17.854 1.00 0.40 H new ATOM 0 HD11 LEU A 35 30.043 7.608 -17.178 1.00 34.11 H new ATOM 0 HD12 LEU A 35 28.608 6.596 -17.473 1.00 34.11 H new ATOM 0 HD13 LEU A 35 29.910 6.669 -18.684 1.00 34.11 H new ATOM 0 HD21 LEU A 35 30.372 9.704 -18.434 1.00 64.14 H new ATOM 0 HD22 LEU A 35 30.252 8.848 -19.990 1.00 64.14 H new ATOM 0 HD23 LEU A 35 29.178 10.225 -19.646 1.00 64.14 H new ATOM 578 N LEU A 36 28.933 5.262 -21.186 1.00 65.12 N ATOM 579 CA LEU A 36 29.829 4.115 -21.087 1.00 70.53 C ATOM 580 C LEU A 36 30.464 3.801 -22.438 1.00 40.44 C ATOM 581 O LEU A 36 30.752 2.645 -22.746 1.00 1.13 O ATOM 582 CB LEU A 36 29.068 2.891 -20.573 1.00 12.40 C ATOM 583 CG LEU A 36 28.758 2.875 -19.076 1.00 33.42 C ATOM 584 CD1 LEU A 36 27.613 3.824 -18.757 1.00 23.00 C ATOM 585 CD2 LEU A 36 28.426 1.463 -18.616 1.00 33.43 C ATOM 0 H LEU A 36 27.986 5.033 -21.488 1.00 65.12 H new ATOM 0 HA LEU A 36 30.622 4.365 -20.382 1.00 70.53 H new ATOM 0 HB2 LEU A 36 28.128 2.817 -21.119 1.00 12.40 H new ATOM 0 HB3 LEU A 36 29.648 2.000 -20.813 1.00 12.40 H new ATOM 0 HG LEU A 36 29.643 3.213 -18.538 1.00 33.42 H new ATOM 0 HD11 LEU A 36 27.407 3.799 -17.687 1.00 23.00 H new ATOM 0 HD12 LEU A 36 27.888 4.837 -19.050 1.00 23.00 H new ATOM 0 HD13 LEU A 36 26.722 3.517 -19.305 1.00 23.00 H new ATOM 0 HD21 LEU A 36 28.208 1.470 -17.548 1.00 33.43 H new ATOM 0 HD22 LEU A 36 27.556 1.098 -19.162 1.00 33.43 H new ATOM 0 HD23 LEU A 36 29.276 0.808 -18.808 1.00 33.43 H new ATOM 597 N GLN A 37 30.681 4.840 -23.239 1.00 71.54 N ATOM 598 CA GLN A 37 31.283 4.674 -24.557 1.00 5.51 C ATOM 599 C GLN A 37 32.698 5.245 -24.584 1.00 33.21 C ATOM 600 O GLN A 37 33.677 4.501 -24.647 1.00 33.32 O ATOM 601 CB GLN A 37 30.425 5.357 -25.623 1.00 10.52 C ATOM 602 CG GLN A 37 28.970 4.916 -25.607 1.00 43.31 C ATOM 603 CD GLN A 37 28.789 3.486 -26.077 1.00 41.40 C ATOM 604 OE1 GLN A 37 29.644 2.936 -26.772 1.00 31.15 O ATOM 605 NE2 GLN A 37 27.672 2.876 -25.700 1.00 13.13 N ATOM 0 H GLN A 37 30.449 5.804 -22.999 1.00 71.54 H new ATOM 0 HA GLN A 37 31.336 3.607 -24.773 1.00 5.51 H new ATOM 0 HB2 GLN A 37 30.471 6.436 -25.478 1.00 10.52 H new ATOM 0 HB3 GLN A 37 30.848 5.150 -26.606 1.00 10.52 H new ATOM 0 HG2 GLN A 37 28.575 5.015 -24.596 1.00 43.31 H new ATOM 0 HG3 GLN A 37 28.386 5.580 -26.244 1.00 43.31 H new ATOM 0 HE21 GLN A 37 26.991 3.370 -25.124 1.00 13.13 H new ATOM 0 HE22 GLN A 37 27.495 1.913 -25.986 1.00 13.13 H new ATOM 614 N TYR A 38 32.797 6.568 -24.536 1.00 43.54 N ATOM 615 CA TYR A 38 34.092 7.239 -24.558 1.00 70.23 C ATOM 616 C TYR A 38 34.042 8.547 -23.774 1.00 73.44 C ATOM 617 O TYR A 38 33.031 9.249 -23.753 1.00 40.45 O ATOM 618 CB TYR A 38 34.524 7.512 -26.000 1.00 22.30 C ATOM 619 CG TYR A 38 35.636 6.607 -26.480 1.00 60.44 C ATOM 620 CD1 TYR A 38 35.377 5.294 -26.855 1.00 43.01 C ATOM 621 CD2 TYR A 38 36.945 7.065 -26.561 1.00 24.23 C ATOM 622 CE1 TYR A 38 36.390 4.464 -27.294 1.00 23.41 C ATOM 623 CE2 TYR A 38 37.964 6.242 -27.000 1.00 25.23 C ATOM 624 CZ TYR A 38 37.682 4.942 -27.365 1.00 10.04 C ATOM 625 OH TYR A 38 38.694 4.118 -27.803 1.00 14.34 O ATOM 0 H TYR A 38 31.996 7.198 -24.482 1.00 43.54 H new ATOM 0 HA TYR A 38 34.821 6.581 -24.085 1.00 70.23 H new ATOM 0 HB2 TYR A 38 33.662 7.395 -26.657 1.00 22.30 H new ATOM 0 HB3 TYR A 38 34.849 8.549 -26.083 1.00 22.30 H new ATOM 0 HD1 TYR A 38 34.367 4.916 -26.802 1.00 43.01 H new ATOM 0 HD2 TYR A 38 37.170 8.082 -26.276 1.00 24.23 H new ATOM 0 HE1 TYR A 38 36.172 3.446 -27.580 1.00 23.41 H new ATOM 0 HE2 TYR A 38 38.976 6.614 -27.057 1.00 25.23 H new ATOM 0 HH TYR A 38 39.542 4.609 -27.794 1.00 14.34 H new ATOM 635 N PRO A 39 35.160 8.882 -23.114 1.00 14.44 N ATOM 636 CA PRO A 39 35.270 10.108 -22.317 1.00 22.34 C ATOM 637 C PRO A 39 35.288 11.363 -23.182 1.00 71.23 C ATOM 638 O PRO A 39 36.335 11.978 -23.377 1.00 45.12 O ATOM 639 CB PRO A 39 36.608 9.940 -21.591 1.00 73.43 C ATOM 640 CG PRO A 39 37.398 9.024 -22.461 1.00 52.02 C ATOM 641 CD PRO A 39 36.402 8.092 -23.094 1.00 51.01 C ATOM 0 HA PRO A 39 34.419 10.237 -21.648 1.00 22.34 H new ATOM 0 HB2 PRO A 39 37.112 10.898 -21.463 1.00 73.43 H new ATOM 0 HB3 PRO A 39 36.468 9.518 -20.596 1.00 73.43 H new ATOM 0 HG2 PRO A 39 37.946 9.583 -23.219 1.00 52.02 H new ATOM 0 HG3 PRO A 39 38.134 8.471 -21.878 1.00 52.02 H new ATOM 0 HD2 PRO A 39 36.708 7.799 -24.098 1.00 51.01 H new ATOM 0 HD3 PRO A 39 36.286 7.175 -22.516 1.00 51.01 H new ATOM 649 N GLU A 40 34.121 11.737 -23.699 1.00 22.34 N ATOM 650 CA GLU A 40 34.005 12.919 -24.544 1.00 55.00 C ATOM 651 C GLU A 40 32.545 13.338 -24.695 1.00 10.34 C ATOM 652 O GLU A 40 32.225 14.528 -24.691 1.00 63.15 O ATOM 653 CB GLU A 40 34.614 12.650 -25.922 1.00 1.55 C ATOM 654 CG GLU A 40 34.060 11.409 -26.601 1.00 3.22 C ATOM 655 CD GLU A 40 35.118 10.646 -27.373 1.00 65.51 C ATOM 656 OE1 GLU A 40 36.165 10.315 -26.778 1.00 44.42 O ATOM 657 OE2 GLU A 40 34.899 10.378 -28.573 1.00 73.11 O ATOM 0 H GLU A 40 33.244 11.239 -23.547 1.00 22.34 H new ATOM 0 HA GLU A 40 34.551 13.732 -24.065 1.00 55.00 H new ATOM 0 HB2 GLU A 40 34.437 13.514 -26.563 1.00 1.55 H new ATOM 0 HB3 GLU A 40 35.694 12.546 -25.818 1.00 1.55 H new ATOM 0 HG2 GLU A 40 33.621 10.753 -25.849 1.00 3.22 H new ATOM 0 HG3 GLU A 40 33.258 11.698 -27.280 1.00 3.22 H new ATOM 664 N LEU A 41 31.663 12.353 -24.827 1.00 5.31 N ATOM 665 CA LEU A 41 30.237 12.619 -24.979 1.00 61.54 C ATOM 666 C LEU A 41 29.514 12.492 -23.642 1.00 52.34 C ATOM 667 O LEU A 41 28.298 12.306 -23.598 1.00 62.13 O ATOM 668 CB LEU A 41 29.625 11.654 -25.997 1.00 32.15 C ATOM 669 CG LEU A 41 29.970 10.176 -25.812 1.00 35.35 C ATOM 670 CD1 LEU A 41 31.296 9.849 -26.480 1.00 53.14 C ATOM 671 CD2 LEU A 41 30.014 9.819 -24.333 1.00 11.42 C ATOM 0 H LEU A 41 31.910 11.363 -24.832 1.00 5.31 H new ATOM 0 HA LEU A 41 30.119 13.641 -25.339 1.00 61.54 H new ATOM 0 HB2 LEU A 41 28.541 11.760 -25.962 1.00 32.15 H new ATOM 0 HB3 LEU A 41 29.944 11.959 -26.994 1.00 32.15 H new ATOM 0 HG LEU A 41 29.191 9.580 -26.286 1.00 35.35 H new ATOM 0 HD11 LEU A 41 31.524 8.793 -26.338 1.00 53.14 H new ATOM 0 HD12 LEU A 41 31.229 10.065 -27.546 1.00 53.14 H new ATOM 0 HD13 LEU A 41 32.086 10.454 -26.036 1.00 53.14 H new ATOM 0 HD21 LEU A 41 30.261 8.763 -24.221 1.00 11.42 H new ATOM 0 HD22 LEU A 41 30.772 10.424 -23.835 1.00 11.42 H new ATOM 0 HD23 LEU A 41 29.041 10.014 -23.883 1.00 11.42 H new ATOM 683 N ALA A 42 30.270 12.597 -22.554 1.00 54.34 N ATOM 684 CA ALA A 42 29.700 12.499 -21.216 1.00 41.22 C ATOM 685 C ALA A 42 28.959 13.778 -20.840 1.00 23.22 C ATOM 686 O ALA A 42 28.014 13.749 -20.053 1.00 32.31 O ATOM 687 CB ALA A 42 30.791 12.200 -20.199 1.00 3.21 C ATOM 0 H ALA A 42 31.278 12.750 -22.573 1.00 54.34 H new ATOM 0 HA ALA A 42 28.981 11.680 -21.213 1.00 41.22 H new ATOM 0 HB1 ALA A 42 30.351 12.129 -19.204 1.00 3.21 H new ATOM 0 HB2 ALA A 42 31.274 11.256 -20.450 1.00 3.21 H new ATOM 0 HB3 ALA A 42 31.531 13.000 -20.213 1.00 3.21 H new ATOM 693 N GLU A 43 29.396 14.898 -21.407 1.00 10.23 N ATOM 694 CA GLU A 43 28.774 16.187 -21.128 1.00 51.22 C ATOM 695 C GLU A 43 27.357 16.241 -21.693 1.00 44.24 C ATOM 696 O GLU A 43 26.433 16.719 -21.036 1.00 0.02 O ATOM 697 CB GLU A 43 29.614 17.322 -21.718 1.00 52.01 C ATOM 698 CG GLU A 43 30.507 18.011 -20.700 1.00 52.01 C ATOM 699 CD GLU A 43 31.449 19.015 -21.335 1.00 54.53 C ATOM 700 OE1 GLU A 43 32.190 18.630 -22.263 1.00 52.23 O ATOM 701 OE2 GLU A 43 31.444 20.188 -20.904 1.00 33.52 O ATOM 0 H GLU A 43 30.177 14.939 -22.061 1.00 10.23 H new ATOM 0 HA GLU A 43 28.720 16.309 -20.046 1.00 51.22 H new ATOM 0 HB2 GLU A 43 30.233 16.924 -22.522 1.00 52.01 H new ATOM 0 HB3 GLU A 43 28.949 18.061 -22.164 1.00 52.01 H new ATOM 0 HG2 GLU A 43 29.886 18.518 -19.962 1.00 52.01 H new ATOM 0 HG3 GLU A 43 31.089 17.260 -20.166 1.00 52.01 H new ATOM 708 N SER A 44 27.196 15.748 -22.917 1.00 52.32 N ATOM 709 CA SER A 44 25.894 15.744 -23.574 1.00 33.13 C ATOM 710 C SER A 44 25.010 14.630 -23.021 1.00 23.41 C ATOM 711 O SER A 44 23.784 14.735 -23.025 1.00 74.34 O ATOM 712 CB SER A 44 26.062 15.575 -25.085 1.00 35.11 C ATOM 713 OG SER A 44 25.625 14.294 -25.506 1.00 43.24 O ATOM 0 H SER A 44 27.951 15.346 -23.473 1.00 52.32 H new ATOM 0 HA SER A 44 25.411 16.700 -23.374 1.00 33.13 H new ATOM 0 HB2 SER A 44 25.494 16.346 -25.606 1.00 35.11 H new ATOM 0 HB3 SER A 44 27.109 15.713 -25.355 1.00 35.11 H new ATOM 0 HG SER A 44 25.741 14.211 -26.476 1.00 43.24 H new ATOM 719 N TYR A 45 25.643 13.563 -22.546 1.00 20.25 N ATOM 720 CA TYR A 45 24.916 12.427 -21.991 1.00 70.02 C ATOM 721 C TYR A 45 23.832 12.893 -21.024 1.00 41.41 C ATOM 722 O TYR A 45 22.693 12.428 -21.077 1.00 22.35 O ATOM 723 CB TYR A 45 25.879 11.478 -21.276 1.00 61.00 C ATOM 724 CG TYR A 45 25.198 10.547 -20.299 1.00 33.21 C ATOM 725 CD1 TYR A 45 24.286 9.594 -20.737 1.00 11.42 C ATOM 726 CD2 TYR A 45 25.467 10.619 -18.938 1.00 33.14 C ATOM 727 CE1 TYR A 45 23.660 8.742 -19.847 1.00 45.25 C ATOM 728 CE2 TYR A 45 24.847 9.770 -18.041 1.00 61.31 C ATOM 729 CZ TYR A 45 23.945 8.834 -18.501 1.00 35.42 C ATOM 730 OH TYR A 45 23.325 7.986 -17.612 1.00 33.51 O ATOM 0 H TYR A 45 26.658 13.461 -22.534 1.00 20.25 H new ATOM 0 HA TYR A 45 24.439 11.897 -22.815 1.00 70.02 H new ATOM 0 HB2 TYR A 45 26.410 10.885 -22.020 1.00 61.00 H new ATOM 0 HB3 TYR A 45 26.627 12.066 -20.744 1.00 61.00 H new ATOM 0 HD1 TYR A 45 24.063 9.518 -21.791 1.00 11.42 H new ATOM 0 HD2 TYR A 45 26.173 11.351 -18.575 1.00 33.14 H new ATOM 0 HE1 TYR A 45 22.952 8.009 -20.204 1.00 45.25 H new ATOM 0 HE2 TYR A 45 25.068 9.839 -16.986 1.00 61.31 H new ATOM 0 HH TYR A 45 23.964 7.309 -17.305 1.00 33.51 H new ATOM 740 N THR A 46 24.195 13.818 -20.140 1.00 54.14 N ATOM 741 CA THR A 46 23.255 14.349 -19.160 1.00 63.34 C ATOM 742 C THR A 46 22.237 15.272 -19.819 1.00 74.20 C ATOM 743 O THR A 46 21.080 15.336 -19.402 1.00 1.15 O ATOM 744 CB THR A 46 23.984 15.120 -18.044 1.00 41.42 C ATOM 745 OG1 THR A 46 23.031 15.767 -17.193 1.00 23.42 O ATOM 746 CG2 THR A 46 24.931 16.156 -18.632 1.00 22.24 C ATOM 0 H THR A 46 25.133 14.215 -20.083 1.00 54.14 H new ATOM 0 HA THR A 46 22.737 13.495 -18.723 1.00 63.34 H new ATOM 0 HB THR A 46 24.567 14.407 -17.461 1.00 41.42 H new ATOM 0 HG1 THR A 46 23.502 16.254 -16.485 1.00 23.42 H new ATOM 0 HG21 THR A 46 25.435 16.688 -17.825 1.00 22.24 H new ATOM 0 HG22 THR A 46 25.673 15.658 -19.257 1.00 22.24 H new ATOM 0 HG23 THR A 46 24.365 16.865 -19.236 1.00 22.24 H new ATOM 754 N LYS A 47 22.672 15.986 -20.852 1.00 24.55 N ATOM 755 CA LYS A 47 21.798 16.905 -21.570 1.00 62.35 C ATOM 756 C LYS A 47 20.598 16.168 -22.156 1.00 34.03 C ATOM 757 O LYS A 47 19.575 16.778 -22.469 1.00 61.44 O ATOM 758 CB LYS A 47 22.572 17.609 -22.687 1.00 61.44 C ATOM 759 CG LYS A 47 21.737 18.606 -23.471 1.00 54.10 C ATOM 760 CD LYS A 47 21.051 17.949 -24.658 1.00 3.25 C ATOM 761 CE LYS A 47 19.627 18.454 -24.828 1.00 35.43 C ATOM 762 NZ LYS A 47 19.524 19.471 -25.910 1.00 71.03 N ATOM 0 H LYS A 47 23.626 15.945 -21.211 1.00 24.55 H new ATOM 0 HA LYS A 47 21.435 17.650 -20.862 1.00 62.35 H new ATOM 0 HB2 LYS A 47 23.428 18.126 -22.254 1.00 61.44 H new ATOM 0 HB3 LYS A 47 22.966 16.859 -23.373 1.00 61.44 H new ATOM 0 HG2 LYS A 47 20.987 19.049 -22.816 1.00 54.10 H new ATOM 0 HG3 LYS A 47 22.373 19.419 -23.822 1.00 54.10 H new ATOM 0 HD2 LYS A 47 21.620 18.150 -25.566 1.00 3.25 H new ATOM 0 HD3 LYS A 47 21.041 16.868 -24.521 1.00 3.25 H new ATOM 0 HE2 LYS A 47 18.969 17.615 -25.055 1.00 35.43 H new ATOM 0 HE3 LYS A 47 19.281 18.886 -23.889 1.00 35.43 H new ATOM 0 HZ1 LYS A 47 18.538 19.790 -25.994 1.00 71.03 H new ATOM 0 HZ2 LYS A 47 20.132 20.283 -25.682 1.00 71.03 H new ATOM 0 HZ3 LYS A 47 19.830 19.051 -26.811 1.00 71.03 H new ATOM 776 N VAL A 48 20.728 14.853 -22.299 1.00 21.11 N ATOM 777 CA VAL A 48 19.653 14.033 -22.844 1.00 32.22 C ATOM 778 C VAL A 48 19.162 13.018 -21.818 1.00 35.03 C ATOM 779 O VAL A 48 18.569 11.998 -22.172 1.00 53.35 O ATOM 780 CB VAL A 48 20.105 13.286 -24.113 1.00 34.32 C ATOM 781 CG1 VAL A 48 18.903 12.901 -24.963 1.00 1.43 C ATOM 782 CG2 VAL A 48 21.083 14.135 -24.911 1.00 33.14 C ATOM 0 H VAL A 48 21.568 14.333 -22.045 1.00 21.11 H new ATOM 0 HA VAL A 48 18.838 14.710 -23.101 1.00 32.22 H new ATOM 0 HB VAL A 48 20.615 12.371 -23.813 1.00 34.32 H new ATOM 0 HG11 VAL A 48 19.242 12.374 -25.855 1.00 1.43 H new ATOM 0 HG12 VAL A 48 18.243 12.252 -24.387 1.00 1.43 H new ATOM 0 HG13 VAL A 48 18.362 13.800 -25.256 1.00 1.43 H new ATOM 0 HG21 VAL A 48 21.392 13.592 -25.804 1.00 33.14 H new ATOM 0 HG22 VAL A 48 20.601 15.068 -25.202 1.00 33.14 H new ATOM 0 HG23 VAL A 48 21.958 14.354 -24.299 1.00 33.14 H new ATOM 792 N CYS A 49 19.411 13.304 -20.545 1.00 23.02 N ATOM 793 CA CYS A 49 18.995 12.416 -19.466 1.00 35.45 C ATOM 794 C CYS A 49 19.713 11.073 -19.558 1.00 54.32 C ATOM 795 O CYS A 49 20.282 10.716 -20.590 1.00 35.31 O ATOM 796 CB CYS A 49 17.481 12.202 -19.509 1.00 12.03 C ATOM 797 SG CYS A 49 16.562 13.186 -18.302 1.00 33.44 S ATOM 0 H CYS A 49 19.899 14.144 -20.235 1.00 23.02 H new ATOM 0 HA CYS A 49 19.262 12.886 -18.519 1.00 35.45 H new ATOM 0 HB2 CYS A 49 17.119 12.442 -20.509 1.00 12.03 H new ATOM 0 HB3 CYS A 49 17.269 11.147 -19.338 1.00 12.03 H new ATOM 0 HG CYS A 49 15.471 13.634 -18.848 1.00 33.44 H new ATOM 803 N PRO A 50 19.689 10.312 -18.454 1.00 75.45 N ATOM 804 CA PRO A 50 20.334 8.997 -18.386 1.00 14.04 C ATOM 805 C PRO A 50 19.619 7.955 -19.239 1.00 15.01 C ATOM 806 O PRO A 50 19.149 6.938 -18.730 1.00 2.33 O ATOM 807 CB PRO A 50 20.236 8.632 -16.902 1.00 64.53 C ATOM 808 CG PRO A 50 19.060 9.395 -16.400 1.00 75.34 C ATOM 809 CD PRO A 50 19.029 10.675 -17.189 1.00 22.31 C ATOM 0 HA PRO A 50 21.355 9.023 -18.767 1.00 14.04 H new ATOM 0 HB2 PRO A 50 20.099 7.559 -16.767 1.00 64.53 H new ATOM 0 HB3 PRO A 50 21.144 8.907 -16.366 1.00 64.53 H new ATOM 0 HG2 PRO A 50 18.139 8.829 -16.539 1.00 75.34 H new ATOM 0 HG3 PRO A 50 19.152 9.597 -15.333 1.00 75.34 H new ATOM 0 HD2 PRO A 50 18.009 11.021 -17.353 1.00 22.31 H new ATOM 0 HD3 PRO A 50 19.559 11.477 -16.675 1.00 22.31 H new ATOM 817 N ASN A 51 19.540 8.215 -20.540 1.00 11.11 N ATOM 818 CA ASN A 51 18.882 7.299 -21.464 1.00 74.11 C ATOM 819 C ASN A 51 17.393 7.185 -21.149 1.00 41.14 C ATOM 820 O ASN A 51 16.988 7.241 -19.988 1.00 54.44 O ATOM 821 CB ASN A 51 19.535 5.917 -21.398 1.00 4.24 C ATOM 822 CG ASN A 51 20.116 5.488 -22.731 1.00 24.30 C ATOM 823 OD1 ASN A 51 19.821 4.401 -23.229 1.00 15.25 O ATOM 824 ND2 ASN A 51 20.949 6.341 -23.316 1.00 54.30 N ATOM 0 H ASN A 51 19.924 9.053 -20.978 1.00 11.11 H new ATOM 0 HA ASN A 51 18.993 7.698 -22.472 1.00 74.11 H new ATOM 0 HB2 ASN A 51 20.325 5.927 -20.647 1.00 4.24 H new ATOM 0 HB3 ASN A 51 18.796 5.184 -21.074 1.00 4.24 H new ATOM 0 HD21 ASN A 51 21.372 6.106 -24.214 1.00 54.30 H new ATOM 0 HD22 ASN A 51 21.165 7.231 -22.868 1.00 54.30 H new ATOM 831 N ARG A 52 16.584 7.024 -22.192 1.00 2.24 N ATOM 832 CA ARG A 52 15.141 6.903 -22.027 1.00 33.03 C ATOM 833 C ARG A 52 14.610 5.677 -22.764 1.00 43.14 C ATOM 834 O ARG A 52 13.515 5.705 -23.327 1.00 70.40 O ATOM 835 CB ARG A 52 14.440 8.163 -22.539 1.00 71.41 C ATOM 836 CG ARG A 52 14.397 9.292 -21.523 1.00 30.13 C ATOM 837 CD ARG A 52 13.620 8.892 -20.278 1.00 51.02 C ATOM 838 NE ARG A 52 14.406 9.072 -19.061 1.00 1.03 N ATOM 839 CZ ARG A 52 14.526 10.234 -18.428 1.00 51.03 C ATOM 840 NH1 ARG A 52 13.914 11.313 -18.896 1.00 15.14 N ATOM 841 NH2 ARG A 52 15.259 10.318 -17.326 1.00 2.14 N ATOM 0 H ARG A 52 16.904 6.974 -23.159 1.00 2.24 H new ATOM 0 HA ARG A 52 14.931 6.785 -20.964 1.00 33.03 H new ATOM 0 HB2 ARG A 52 14.950 8.513 -23.437 1.00 71.41 H new ATOM 0 HB3 ARG A 52 13.421 7.909 -22.830 1.00 71.41 H new ATOM 0 HG2 ARG A 52 15.413 9.572 -21.245 1.00 30.13 H new ATOM 0 HG3 ARG A 52 13.937 10.171 -21.974 1.00 30.13 H new ATOM 0 HD2 ARG A 52 12.709 9.487 -20.212 1.00 51.02 H new ATOM 0 HD3 ARG A 52 13.314 7.849 -20.361 1.00 51.02 H new ATOM 0 HE ARG A 52 14.890 8.261 -18.675 1.00 1.03 H new ATOM 0 HH11 ARG A 52 13.350 11.252 -19.744 1.00 15.14 H new ATOM 0 HH12 ARG A 52 14.007 12.204 -18.409 1.00 15.14 H new ATOM 0 HH21 ARG A 52 15.731 9.490 -16.963 1.00 2.14 H new ATOM 0 HH22 ARG A 52 15.350 11.211 -16.841 1.00 2.14 H new ATOM 855 N CYS A 53 15.394 4.605 -22.758 1.00 72.50 N ATOM 856 CA CYS A 53 15.004 3.369 -23.428 1.00 32.33 C ATOM 857 C CYS A 53 14.284 2.431 -22.463 1.00 42.54 C ATOM 858 O CYS A 53 13.086 2.183 -22.601 1.00 2.41 O ATOM 859 CB CYS A 53 16.233 2.672 -24.014 1.00 13.04 C ATOM 860 SG CYS A 53 15.895 1.034 -24.701 1.00 40.21 S ATOM 0 H CYS A 53 16.303 4.566 -22.297 1.00 72.50 H new ATOM 0 HA CYS A 53 14.320 3.624 -24.237 1.00 32.33 H new ATOM 0 HB2 CYS A 53 16.656 3.302 -24.796 1.00 13.04 H new ATOM 0 HB3 CYS A 53 16.990 2.579 -23.235 1.00 13.04 H new ATOM 0 HG CYS A 53 16.610 0.857 -25.772 1.00 40.21 H new ATOM 866 N ASP A 54 15.023 1.913 -21.489 1.00 22.30 N ATOM 867 CA ASP A 54 14.456 1.002 -20.502 1.00 30.35 C ATOM 868 C ASP A 54 15.527 0.522 -19.526 1.00 53.14 C ATOM 869 O ASP A 54 15.579 0.965 -18.378 1.00 42.02 O ATOM 870 CB ASP A 54 13.807 -0.197 -21.195 1.00 51.24 C ATOM 871 CG ASP A 54 12.293 -0.114 -21.198 1.00 61.20 C ATOM 872 OD1 ASP A 54 11.705 0.032 -20.106 1.00 64.21 O ATOM 873 OD2 ASP A 54 11.696 -0.197 -22.292 1.00 11.50 O ATOM 0 H ASP A 54 16.016 2.108 -21.362 1.00 22.30 H new ATOM 0 HA ASP A 54 13.694 1.543 -19.941 1.00 30.35 H new ATOM 0 HB2 ASP A 54 14.167 -0.258 -22.222 1.00 51.24 H new ATOM 0 HB3 ASP A 54 14.117 -1.114 -20.694 1.00 51.24 H new ATOM 878 N LEU A 55 16.378 -0.386 -19.990 1.00 50.05 N ATOM 879 CA LEU A 55 17.448 -0.927 -19.159 1.00 73.22 C ATOM 880 C LEU A 55 18.461 0.156 -18.803 1.00 23.41 C ATOM 881 O LEU A 55 18.997 0.178 -17.695 1.00 53.02 O ATOM 882 CB LEU A 55 18.148 -2.080 -19.881 1.00 50.32 C ATOM 883 CG LEU A 55 18.652 -1.780 -21.293 1.00 54.34 C ATOM 884 CD1 LEU A 55 20.026 -2.393 -21.511 1.00 60.15 C ATOM 885 CD2 LEU A 55 17.665 -2.294 -22.332 1.00 2.01 C ATOM 0 H LEU A 55 16.348 -0.763 -20.937 1.00 50.05 H new ATOM 0 HA LEU A 55 17.005 -1.301 -18.236 1.00 73.22 H new ATOM 0 HB2 LEU A 55 18.995 -2.401 -19.275 1.00 50.32 H new ATOM 0 HB3 LEU A 55 17.457 -2.922 -19.934 1.00 50.32 H new ATOM 0 HG LEU A 55 18.738 -0.699 -21.406 1.00 54.34 H new ATOM 0 HD11 LEU A 55 20.368 -2.169 -22.521 1.00 60.15 H new ATOM 0 HD12 LEU A 55 20.729 -1.977 -20.789 1.00 60.15 H new ATOM 0 HD13 LEU A 55 19.968 -3.473 -21.379 1.00 60.15 H new ATOM 0 HD21 LEU A 55 18.040 -2.072 -23.331 1.00 2.01 H new ATOM 0 HD22 LEU A 55 17.547 -3.372 -22.220 1.00 2.01 H new ATOM 0 HD23 LEU A 55 16.700 -1.807 -22.190 1.00 2.01 H new ATOM 897 N ALA A 56 18.718 1.053 -19.749 1.00 61.21 N ATOM 898 CA ALA A 56 19.664 2.141 -19.534 1.00 32.14 C ATOM 899 C ALA A 56 19.103 3.170 -18.558 1.00 42.43 C ATOM 900 O ALA A 56 19.852 3.833 -17.840 1.00 1.14 O ATOM 901 CB ALA A 56 20.017 2.803 -20.857 1.00 65.42 C ATOM 0 H ALA A 56 18.284 1.048 -20.672 1.00 61.21 H new ATOM 0 HA ALA A 56 20.570 1.721 -19.098 1.00 32.14 H new ATOM 0 HB1 ALA A 56 20.724 3.614 -20.681 1.00 65.42 H new ATOM 0 HB2 ALA A 56 20.467 2.067 -21.523 1.00 65.42 H new ATOM 0 HB3 ALA A 56 19.113 3.203 -21.316 1.00 65.42 H new ATOM 907 N THR A 57 17.780 3.301 -18.538 1.00 43.14 N ATOM 908 CA THR A 57 17.119 4.251 -17.653 1.00 4.42 C ATOM 909 C THR A 57 16.998 3.693 -16.239 1.00 44.44 C ATOM 910 O THR A 57 17.226 4.403 -15.260 1.00 54.32 O ATOM 911 CB THR A 57 15.716 4.618 -18.170 1.00 15.23 C ATOM 912 OG1 THR A 57 15.783 4.986 -19.552 1.00 0.52 O ATOM 913 CG2 THR A 57 15.124 5.764 -17.363 1.00 1.14 C ATOM 0 H THR A 57 17.145 2.760 -19.125 1.00 43.14 H new ATOM 0 HA THR A 57 17.737 5.149 -17.635 1.00 4.42 H new ATOM 0 HB THR A 57 15.073 3.745 -18.058 1.00 15.23 H new ATOM 0 HG1 THR A 57 16.040 5.929 -19.627 1.00 0.52 H new ATOM 0 HG21 THR A 57 14.133 6.005 -17.747 1.00 1.14 H new ATOM 0 HG22 THR A 57 15.046 5.470 -16.316 1.00 1.14 H new ATOM 0 HG23 THR A 57 15.768 6.639 -17.447 1.00 1.14 H new ATOM 921 N ALA A 58 16.640 2.418 -16.141 1.00 32.54 N ATOM 922 CA ALA A 58 16.491 1.764 -14.846 1.00 65.34 C ATOM 923 C ALA A 58 17.850 1.507 -14.202 1.00 74.33 C ATOM 924 O ALA A 58 17.996 1.596 -12.984 1.00 2.52 O ATOM 925 CB ALA A 58 15.722 0.460 -14.999 1.00 23.22 C ATOM 0 H ALA A 58 16.448 1.817 -16.942 1.00 32.54 H new ATOM 0 HA ALA A 58 15.928 2.430 -14.192 1.00 65.34 H new ATOM 0 HB1 ALA A 58 15.618 -0.018 -14.025 1.00 23.22 H new ATOM 0 HB2 ALA A 58 14.733 0.667 -15.409 1.00 23.22 H new ATOM 0 HB3 ALA A 58 16.263 -0.204 -15.673 1.00 23.22 H new ATOM 931 N ALA A 59 18.840 1.186 -15.029 1.00 10.05 N ATOM 932 CA ALA A 59 20.186 0.917 -14.539 1.00 44.31 C ATOM 933 C ALA A 59 20.825 2.179 -13.967 1.00 74.42 C ATOM 934 O ALA A 59 21.441 2.146 -12.902 1.00 62.41 O ATOM 935 CB ALA A 59 21.049 0.346 -15.655 1.00 2.14 C ATOM 0 H ALA A 59 18.735 1.106 -16.040 1.00 10.05 H new ATOM 0 HA ALA A 59 20.114 0.182 -13.737 1.00 44.31 H new ATOM 0 HB1 ALA A 59 22.052 0.150 -15.275 1.00 2.14 H new ATOM 0 HB2 ALA A 59 20.609 -0.584 -16.016 1.00 2.14 H new ATOM 0 HB3 ALA A 59 21.105 1.063 -16.474 1.00 2.14 H new ATOM 941 N ASP A 60 20.673 3.289 -14.681 1.00 61.53 N ATOM 942 CA ASP A 60 21.235 4.561 -14.244 1.00 54.52 C ATOM 943 C ASP A 60 20.495 5.089 -13.019 1.00 4.34 C ATOM 944 O ASP A 60 21.105 5.651 -12.108 1.00 52.55 O ATOM 945 CB ASP A 60 21.169 5.588 -15.376 1.00 74.23 C ATOM 946 CG ASP A 60 22.418 6.443 -15.456 1.00 14.44 C ATOM 947 OD1 ASP A 60 23.436 5.958 -15.990 1.00 70.44 O ATOM 948 OD2 ASP A 60 22.377 7.599 -14.982 1.00 61.51 O ATOM 0 H ASP A 60 20.165 3.333 -15.565 1.00 61.53 H new ATOM 0 HA ASP A 60 22.278 4.396 -13.974 1.00 54.52 H new ATOM 0 HB2 ASP A 60 21.025 5.070 -16.324 1.00 74.23 H new ATOM 0 HB3 ASP A 60 20.301 6.231 -15.229 1.00 74.23 H new ATOM 953 N ARG A 61 19.179 4.905 -13.003 1.00 3.21 N ATOM 954 CA ARG A 61 18.357 5.365 -11.890 1.00 72.14 C ATOM 955 C ARG A 61 18.870 4.805 -10.567 1.00 70.31 C ATOM 956 O ARG A 61 18.938 5.516 -9.565 1.00 44.24 O ATOM 957 CB ARG A 61 16.899 4.951 -12.101 1.00 23.12 C ATOM 958 CG ARG A 61 15.948 6.127 -12.250 1.00 73.33 C ATOM 959 CD ARG A 61 16.311 6.988 -13.450 1.00 11.35 C ATOM 960 NE ARG A 61 17.131 8.136 -13.071 1.00 20.24 N ATOM 961 CZ ARG A 61 16.634 9.259 -12.565 1.00 2.21 C ATOM 962 NH1 ARG A 61 15.328 9.385 -12.378 1.00 53.11 N ATOM 963 NH2 ARG A 61 17.445 10.260 -12.245 1.00 21.55 N ATOM 0 H ARG A 61 18.659 4.441 -13.748 1.00 3.21 H new ATOM 0 HA ARG A 61 18.417 6.453 -11.851 1.00 72.14 H new ATOM 0 HB2 ARG A 61 16.833 4.326 -12.991 1.00 23.12 H new ATOM 0 HB3 ARG A 61 16.578 4.340 -11.258 1.00 23.12 H new ATOM 0 HG2 ARG A 61 14.928 5.760 -12.360 1.00 73.33 H new ATOM 0 HG3 ARG A 61 15.973 6.734 -11.345 1.00 73.33 H new ATOM 0 HD2 ARG A 61 16.849 6.384 -14.181 1.00 11.35 H new ATOM 0 HD3 ARG A 61 15.399 7.338 -13.935 1.00 11.35 H new ATOM 0 HE ARG A 61 18.140 8.072 -13.202 1.00 20.24 H new ATOM 0 HH11 ARG A 61 14.701 8.618 -12.623 1.00 53.11 H new ATOM 0 HH12 ARG A 61 14.949 10.249 -11.989 1.00 53.11 H new ATOM 0 HH21 ARG A 61 18.451 10.167 -12.388 1.00 21.55 H new ATOM 0 HH22 ARG A 61 17.062 11.122 -11.856 1.00 21.55 H new ATOM 977 N ALA A 62 19.229 3.525 -10.572 1.00 12.14 N ATOM 978 CA ALA A 62 19.737 2.870 -9.373 1.00 32.13 C ATOM 979 C ALA A 62 21.187 3.260 -9.106 1.00 53.14 C ATOM 980 O ALA A 62 21.542 3.641 -7.992 1.00 21.15 O ATOM 981 CB ALA A 62 19.610 1.359 -9.503 1.00 1.31 C ATOM 0 H ALA A 62 19.177 2.922 -11.393 1.00 12.14 H new ATOM 0 HA ALA A 62 19.137 3.203 -8.526 1.00 32.13 H new ATOM 0 HB1 ALA A 62 19.993 0.883 -8.601 1.00 1.31 H new ATOM 0 HB2 ALA A 62 18.562 1.092 -9.637 1.00 1.31 H new ATOM 0 HB3 ALA A 62 20.184 1.018 -10.365 1.00 1.31 H new ATOM 987 N ALA A 63 22.020 3.162 -10.137 1.00 71.12 N ATOM 988 CA ALA A 63 23.431 3.506 -10.014 1.00 70.13 C ATOM 989 C ALA A 63 23.606 4.943 -9.536 1.00 50.30 C ATOM 990 O ALA A 63 24.615 5.285 -8.918 1.00 35.31 O ATOM 991 CB ALA A 63 24.142 3.300 -11.343 1.00 62.44 C ATOM 0 H ALA A 63 21.742 2.847 -11.067 1.00 71.12 H new ATOM 0 HA ALA A 63 23.877 2.846 -9.270 1.00 70.13 H new ATOM 0 HB1 ALA A 63 25.195 3.561 -11.237 1.00 62.44 H new ATOM 0 HB2 ALA A 63 24.055 2.256 -11.644 1.00 62.44 H new ATOM 0 HB3 ALA A 63 23.686 3.936 -12.102 1.00 62.44 H new ATOM 997 N LYS A 64 22.618 5.783 -9.826 1.00 71.14 N ATOM 998 CA LYS A 64 22.661 7.184 -9.426 1.00 4.21 C ATOM 999 C LYS A 64 22.772 7.314 -7.910 1.00 62.31 C ATOM 1000 O LYS A 64 23.206 8.343 -7.395 1.00 50.44 O ATOM 1001 CB LYS A 64 21.412 7.917 -9.921 1.00 22.50 C ATOM 1002 CG LYS A 64 21.528 8.420 -11.349 1.00 62.44 C ATOM 1003 CD LYS A 64 21.828 9.909 -11.394 1.00 21.45 C ATOM 1004 CE LYS A 64 23.294 10.191 -11.104 1.00 23.43 C ATOM 1005 NZ LYS A 64 23.638 11.623 -11.323 1.00 74.03 N ATOM 0 H LYS A 64 21.777 5.517 -10.337 1.00 71.14 H new ATOM 0 HA LYS A 64 23.543 7.637 -9.878 1.00 4.21 H new ATOM 0 HB2 LYS A 64 20.555 7.247 -9.849 1.00 22.50 H new ATOM 0 HB3 LYS A 64 21.212 8.762 -9.262 1.00 22.50 H new ATOM 0 HG2 LYS A 64 22.317 7.873 -11.865 1.00 62.44 H new ATOM 0 HG3 LYS A 64 20.599 8.219 -11.883 1.00 62.44 H new ATOM 0 HD2 LYS A 64 21.568 10.304 -12.376 1.00 21.45 H new ATOM 0 HD3 LYS A 64 21.205 10.429 -10.666 1.00 21.45 H new ATOM 0 HE2 LYS A 64 23.519 9.917 -10.073 1.00 23.43 H new ATOM 0 HE3 LYS A 64 23.917 9.566 -11.744 1.00 23.43 H new ATOM 0 HZ1 LYS A 64 24.646 11.774 -11.115 1.00 74.03 H new ATOM 0 HZ2 LYS A 64 23.447 11.878 -12.313 1.00 74.03 H new ATOM 0 HZ3 LYS A 64 23.062 12.218 -10.695 1.00 74.03 H new ATOM 1019 N GLY A 65 22.378 6.261 -7.200 1.00 62.31 N ATOM 1020 CA GLY A 65 22.443 6.277 -5.750 1.00 54.24 C ATOM 1021 C GLY A 65 21.087 6.064 -5.107 1.00 72.43 C ATOM 1022 O GLY A 65 20.903 6.344 -3.923 1.00 70.32 O ATOM 0 H GLY A 65 22.015 5.397 -7.603 1.00 62.31 H new ATOM 0 HA2 GLY A 65 23.128 5.500 -5.411 1.00 54.24 H new ATOM 0 HA3 GLY A 65 22.853 7.231 -5.418 1.00 54.24 H new ATOM 1026 N ALA A 66 20.134 5.568 -5.890 1.00 30.52 N ATOM 1027 CA ALA A 66 18.788 5.316 -5.389 1.00 42.54 C ATOM 1028 C ALA A 66 18.225 6.547 -4.687 1.00 41.42 C ATOM 1029 O ALA A 66 18.004 6.536 -3.476 1.00 10.40 O ATOM 1030 CB ALA A 66 18.790 4.123 -4.446 1.00 21.12 C ATOM 0 H ALA A 66 20.269 5.333 -6.873 1.00 30.52 H new ATOM 0 HA ALA A 66 18.146 5.090 -6.241 1.00 42.54 H new ATOM 0 HB1 ALA A 66 17.779 3.947 -4.080 1.00 21.12 H new ATOM 0 HB2 ALA A 66 19.142 3.239 -4.978 1.00 21.12 H new ATOM 0 HB3 ALA A 66 19.451 4.327 -3.603 1.00 21.12 H new ATOM 1036 N TYR A 67 17.996 7.607 -5.454 1.00 52.25 N ATOM 1037 CA TYR A 67 17.461 8.847 -4.905 1.00 4.41 C ATOM 1038 C TYR A 67 16.219 8.579 -4.061 1.00 21.40 C ATOM 1039 O TYR A 67 15.147 8.288 -4.589 1.00 53.11 O ATOM 1040 CB TYR A 67 17.124 9.826 -6.032 1.00 23.44 C ATOM 1041 CG TYR A 67 16.852 11.233 -5.550 1.00 60.14 C ATOM 1042 CD1 TYR A 67 15.576 11.620 -5.160 1.00 42.31 C ATOM 1043 CD2 TYR A 67 17.871 12.175 -5.485 1.00 64.03 C ATOM 1044 CE1 TYR A 67 15.323 12.905 -4.721 1.00 0.23 C ATOM 1045 CE2 TYR A 67 17.628 13.462 -5.046 1.00 33.23 C ATOM 1046 CZ TYR A 67 16.352 13.822 -4.665 1.00 51.20 C ATOM 1047 OH TYR A 67 16.104 15.103 -4.227 1.00 20.25 O ATOM 0 H TYR A 67 18.173 7.632 -6.458 1.00 52.25 H new ATOM 0 HA TYR A 67 18.224 9.289 -4.265 1.00 4.41 H new ATOM 0 HB2 TYR A 67 17.950 9.848 -6.742 1.00 23.44 H new ATOM 0 HB3 TYR A 67 16.250 9.460 -6.571 1.00 23.44 H new ATOM 0 HD1 TYR A 67 14.768 10.904 -5.201 1.00 42.31 H new ATOM 0 HD2 TYR A 67 18.871 11.896 -5.783 1.00 64.03 H new ATOM 0 HE1 TYR A 67 14.325 13.190 -4.423 1.00 0.23 H new ATOM 0 HE2 TYR A 67 18.432 14.182 -5.001 1.00 33.23 H new ATOM 0 HH TYR A 67 16.935 15.622 -4.247 1.00 20.25 H new ATOM 1057 N GLY A 68 16.373 8.679 -2.744 1.00 62.30 N ATOM 1058 CA GLY A 68 15.257 8.444 -1.847 1.00 0.33 C ATOM 1059 C GLY A 68 14.296 9.616 -1.798 1.00 23.31 C ATOM 1060 O GLY A 68 14.273 10.446 -2.706 1.00 53.45 O ATOM 0 H GLY A 68 17.251 8.919 -2.283 1.00 62.30 H new ATOM 0 HA2 GLY A 68 14.720 7.551 -2.166 1.00 0.33 H new ATOM 0 HA3 GLY A 68 15.636 8.247 -0.844 1.00 0.33 H new ATOM 1064 N TYR A 69 13.501 9.682 -0.736 1.00 51.52 N ATOM 1065 CA TYR A 69 12.531 10.759 -0.575 1.00 35.34 C ATOM 1066 C TYR A 69 11.584 10.823 -1.769 1.00 71.44 C ATOM 1067 O TYR A 69 11.819 11.564 -2.723 1.00 44.34 O ATOM 1068 CB TYR A 69 13.248 12.099 -0.406 1.00 14.23 C ATOM 1069 CG TYR A 69 12.424 13.140 0.319 1.00 74.44 C ATOM 1070 CD1 TYR A 69 11.932 12.900 1.596 1.00 62.33 C ATOM 1071 CD2 TYR A 69 12.137 14.363 -0.274 1.00 44.43 C ATOM 1072 CE1 TYR A 69 11.178 13.847 2.261 1.00 43.33 C ATOM 1073 CE2 TYR A 69 11.386 15.317 0.384 1.00 55.42 C ATOM 1074 CZ TYR A 69 10.908 15.054 1.651 1.00 51.52 C ATOM 1075 OH TYR A 69 10.158 16.002 2.310 1.00 25.54 O ATOM 0 H TYR A 69 13.509 9.003 0.025 1.00 51.52 H new ATOM 0 HA TYR A 69 11.944 10.553 0.320 1.00 35.34 H new ATOM 0 HB2 TYR A 69 14.177 11.938 0.141 1.00 14.23 H new ATOM 0 HB3 TYR A 69 13.519 12.483 -1.389 1.00 14.23 H new ATOM 0 HD1 TYR A 69 12.143 11.956 2.077 1.00 62.33 H new ATOM 0 HD2 TYR A 69 12.508 14.571 -1.267 1.00 44.43 H new ATOM 0 HE1 TYR A 69 10.802 13.643 3.253 1.00 43.33 H new ATOM 0 HE2 TYR A 69 11.174 16.264 -0.091 1.00 55.42 H new ATOM 0 HH TYR A 69 10.061 16.795 1.742 1.00 25.54 H new ATOM 1085 N ASP A 70 10.512 10.040 -1.709 1.00 1.11 N ATOM 1086 CA ASP A 70 9.527 10.008 -2.784 1.00 64.41 C ATOM 1087 C ASP A 70 8.110 9.970 -2.222 1.00 31.13 C ATOM 1088 O ASP A 70 7.767 9.090 -1.432 1.00 3.13 O ATOM 1089 CB ASP A 70 9.764 8.795 -3.685 1.00 64.40 C ATOM 1090 CG ASP A 70 9.659 9.138 -5.158 1.00 4.11 C ATOM 1091 OD1 ASP A 70 8.781 9.950 -5.516 1.00 41.11 O ATOM 1092 OD2 ASP A 70 10.455 8.594 -5.953 1.00 11.24 O ATOM 0 H ASP A 70 10.303 9.419 -0.927 1.00 1.11 H new ATOM 0 HA ASP A 70 9.640 10.917 -3.374 1.00 64.41 H new ATOM 0 HB2 ASP A 70 10.752 8.382 -3.481 1.00 64.40 H new ATOM 0 HB3 ASP A 70 9.038 8.019 -3.443 1.00 64.40 H new ATOM 1097 N VAL A 71 7.289 10.931 -2.633 1.00 45.45 N ATOM 1098 CA VAL A 71 5.909 11.008 -2.171 1.00 51.51 C ATOM 1099 C VAL A 71 5.095 9.821 -2.671 1.00 73.34 C ATOM 1100 O VAL A 71 4.077 9.461 -2.080 1.00 71.04 O ATOM 1101 CB VAL A 71 5.233 12.312 -2.636 1.00 3.22 C ATOM 1102 CG1 VAL A 71 5.056 12.313 -4.146 1.00 74.35 C ATOM 1103 CG2 VAL A 71 3.897 12.499 -1.933 1.00 72.15 C ATOM 0 H VAL A 71 7.556 11.668 -3.286 1.00 45.45 H new ATOM 0 HA VAL A 71 5.939 10.991 -1.082 1.00 51.51 H new ATOM 0 HB VAL A 71 5.877 13.150 -2.370 1.00 3.22 H new ATOM 0 HG11 VAL A 71 4.577 13.242 -4.456 1.00 74.35 H new ATOM 0 HG12 VAL A 71 6.031 12.230 -4.627 1.00 74.35 H new ATOM 0 HG13 VAL A 71 4.433 11.468 -4.440 1.00 74.35 H new ATOM 0 HG21 VAL A 71 3.433 13.425 -2.273 1.00 72.15 H new ATOM 0 HG22 VAL A 71 3.243 11.659 -2.165 1.00 72.15 H new ATOM 0 HG23 VAL A 71 4.056 12.548 -0.856 1.00 72.15 H new ATOM 1113 N GLN A 72 5.551 9.216 -3.764 1.00 34.34 N ATOM 1114 CA GLN A 72 4.864 8.068 -4.344 1.00 34.25 C ATOM 1115 C GLN A 72 5.668 7.478 -5.497 1.00 60.21 C ATOM 1116 O GLN A 72 5.118 7.156 -6.551 1.00 53.32 O ATOM 1117 CB GLN A 72 3.472 8.473 -4.832 1.00 34.15 C ATOM 1118 CG GLN A 72 2.584 7.291 -5.188 1.00 43.35 C ATOM 1119 CD GLN A 72 1.884 7.469 -6.521 1.00 62.24 C ATOM 1120 OE1 GLN A 72 0.669 7.298 -6.625 1.00 42.11 O ATOM 1121 NE2 GLN A 72 2.649 7.814 -7.551 1.00 30.33 N ATOM 0 H GLN A 72 6.392 9.502 -4.265 1.00 34.34 H new ATOM 0 HA GLN A 72 4.763 7.308 -3.569 1.00 34.25 H new ATOM 0 HB2 GLN A 72 2.983 9.064 -4.058 1.00 34.15 H new ATOM 0 HB3 GLN A 72 3.575 9.115 -5.706 1.00 34.15 H new ATOM 0 HG2 GLN A 72 3.187 6.384 -5.217 1.00 43.35 H new ATOM 0 HG3 GLN A 72 1.838 7.153 -4.405 1.00 43.35 H new ATOM 0 HE21 GLN A 72 3.652 7.945 -7.420 1.00 30.33 H new ATOM 0 HE22 GLN A 72 2.233 7.948 -8.473 1.00 30.33 H new ATOM 1130 N LEU A 73 6.973 7.338 -5.291 1.00 51.32 N ATOM 1131 CA LEU A 73 7.854 6.787 -6.315 1.00 23.24 C ATOM 1132 C LEU A 73 7.655 7.501 -7.648 1.00 34.24 C ATOM 1133 O LEU A 73 7.736 6.887 -8.712 1.00 75.21 O ATOM 1134 CB LEU A 73 7.598 5.288 -6.482 1.00 43.14 C ATOM 1135 CG LEU A 73 7.751 4.436 -5.222 1.00 72.21 C ATOM 1136 CD1 LEU A 73 8.969 4.876 -4.424 1.00 74.24 C ATOM 1137 CD2 LEU A 73 6.494 4.517 -4.368 1.00 71.22 C ATOM 0 H LEU A 73 7.444 7.598 -4.425 1.00 51.32 H new ATOM 0 HA LEU A 73 8.884 6.940 -5.994 1.00 23.24 H new ATOM 0 HB2 LEU A 73 6.587 5.153 -6.867 1.00 43.14 H new ATOM 0 HB3 LEU A 73 8.281 4.905 -7.240 1.00 43.14 H new ATOM 0 HG LEU A 73 7.896 3.399 -5.524 1.00 72.21 H new ATOM 0 HD11 LEU A 73 9.061 4.258 -3.531 1.00 74.24 H new ATOM 0 HD12 LEU A 73 9.864 4.766 -5.036 1.00 74.24 H new ATOM 0 HD13 LEU A 73 8.855 5.920 -4.133 1.00 74.24 H new ATOM 0 HD21 LEU A 73 6.621 3.905 -3.475 1.00 71.22 H new ATOM 0 HD22 LEU A 73 6.319 5.552 -4.076 1.00 71.22 H new ATOM 0 HD23 LEU A 73 5.641 4.152 -4.940 1.00 71.22 H new ATOM 1149 N THR A 74 7.395 8.803 -7.583 1.00 11.14 N ATOM 1150 CA THR A 74 7.185 9.601 -8.784 1.00 11.43 C ATOM 1151 C THR A 74 8.404 9.550 -9.698 1.00 55.30 C ATOM 1152 O THR A 74 8.284 9.676 -10.917 1.00 63.13 O ATOM 1153 CB THR A 74 6.880 11.071 -8.435 1.00 72.45 C ATOM 1154 OG1 THR A 74 5.722 11.145 -7.597 1.00 34.13 O ATOM 1155 CG2 THR A 74 6.652 11.890 -9.697 1.00 70.40 C ATOM 0 H THR A 74 7.325 9.327 -6.711 1.00 11.14 H new ATOM 0 HA THR A 74 6.327 9.173 -9.303 1.00 11.43 H new ATOM 0 HB THR A 74 7.739 11.482 -7.904 1.00 72.45 H new ATOM 0 HG1 THR A 74 5.536 12.082 -7.378 1.00 34.13 H new ATOM 0 HG21 THR A 74 6.438 12.924 -9.426 1.00 70.40 H new ATOM 0 HG22 THR A 74 7.546 11.855 -10.320 1.00 70.40 H new ATOM 0 HG23 THR A 74 5.808 11.478 -10.250 1.00 70.40 H new ATOM 1163 N THR A 75 9.577 9.364 -9.102 1.00 44.22 N ATOM 1164 CA THR A 75 10.819 9.297 -9.863 1.00 75.21 C ATOM 1165 C THR A 75 10.746 8.218 -10.938 1.00 45.52 C ATOM 1166 O THR A 75 11.049 8.470 -12.105 1.00 70.15 O ATOM 1167 CB THR A 75 12.024 9.013 -8.947 1.00 42.04 C ATOM 1168 OG1 THR A 75 11.794 7.820 -8.189 1.00 55.42 O ATOM 1169 CG2 THR A 75 12.273 10.180 -8.004 1.00 23.35 C ATOM 0 H THR A 75 9.694 9.257 -8.094 1.00 44.22 H new ATOM 0 HA THR A 75 10.954 10.270 -10.336 1.00 75.21 H new ATOM 0 HB THR A 75 12.905 8.879 -9.574 1.00 42.04 H new ATOM 0 HG1 THR A 75 11.443 8.057 -7.305 1.00 55.42 H new ATOM 0 HG21 THR A 75 13.129 9.957 -7.367 1.00 23.35 H new ATOM 0 HG22 THR A 75 12.478 11.080 -8.584 1.00 23.35 H new ATOM 0 HG23 THR A 75 11.391 10.341 -7.384 1.00 23.35 H new ATOM 1177 N LEU A 76 10.344 7.017 -10.539 1.00 13.45 N ATOM 1178 CA LEU A 76 10.231 5.899 -11.469 1.00 11.41 C ATOM 1179 C LEU A 76 8.955 6.008 -12.298 1.00 21.51 C ATOM 1180 O LEU A 76 8.980 5.852 -13.519 1.00 50.31 O ATOM 1181 CB LEU A 76 10.247 4.573 -10.707 1.00 61.14 C ATOM 1182 CG LEU A 76 10.633 3.337 -11.521 1.00 32.34 C ATOM 1183 CD1 LEU A 76 12.140 3.275 -11.716 1.00 53.20 C ATOM 1184 CD2 LEU A 76 10.129 2.072 -10.840 1.00 43.20 C ATOM 0 H LEU A 76 10.091 6.792 -9.577 1.00 13.45 H new ATOM 0 HA LEU A 76 11.085 5.932 -12.145 1.00 11.41 H new ATOM 0 HB2 LEU A 76 10.941 4.665 -9.872 1.00 61.14 H new ATOM 0 HB3 LEU A 76 9.257 4.409 -10.282 1.00 61.14 H new ATOM 0 HG LEU A 76 10.163 3.410 -12.502 1.00 32.34 H new ATOM 0 HD11 LEU A 76 12.396 2.389 -12.297 1.00 53.20 H new ATOM 0 HD12 LEU A 76 12.475 4.166 -12.247 1.00 53.20 H new ATOM 0 HD13 LEU A 76 12.631 3.225 -10.744 1.00 53.20 H new ATOM 0 HD21 LEU A 76 10.412 1.202 -11.433 1.00 43.20 H new ATOM 0 HD22 LEU A 76 10.570 1.993 -9.846 1.00 43.20 H new ATOM 0 HD23 LEU A 76 9.043 2.114 -10.753 1.00 43.20 H new ATOM 1196 N LYS A 77 7.841 6.277 -11.627 1.00 34.24 N ATOM 1197 CA LYS A 77 6.554 6.410 -12.300 1.00 63.31 C ATOM 1198 C LYS A 77 6.633 7.436 -13.426 1.00 62.31 C ATOM 1199 O LYS A 77 5.950 7.309 -14.442 1.00 24.31 O ATOM 1200 CB LYS A 77 5.471 6.818 -11.299 1.00 71.32 C ATOM 1201 CG LYS A 77 4.286 5.869 -11.265 1.00 74.43 C ATOM 1202 CD LYS A 77 4.697 4.479 -10.808 1.00 14.24 C ATOM 1203 CE LYS A 77 5.014 4.453 -9.320 1.00 52.52 C ATOM 1204 NZ LYS A 77 6.366 3.890 -9.051 1.00 52.31 N ATOM 0 H LYS A 77 7.803 6.407 -10.616 1.00 34.24 H new ATOM 0 HA LYS A 77 6.296 5.443 -12.731 1.00 63.31 H new ATOM 0 HB2 LYS A 77 5.911 6.873 -10.303 1.00 71.32 H new ATOM 0 HB3 LYS A 77 5.117 7.819 -11.547 1.00 71.32 H new ATOM 0 HG2 LYS A 77 3.523 6.263 -10.594 1.00 74.43 H new ATOM 0 HG3 LYS A 77 3.838 5.809 -12.257 1.00 74.43 H new ATOM 0 HD2 LYS A 77 3.895 3.772 -11.023 1.00 14.24 H new ATOM 0 HD3 LYS A 77 5.570 4.152 -11.373 1.00 14.24 H new ATOM 0 HE2 LYS A 77 4.955 5.465 -8.918 1.00 52.52 H new ATOM 0 HE3 LYS A 77 4.263 3.859 -8.799 1.00 52.52 H new ATOM 0 HZ1 LYS A 77 6.374 3.437 -8.115 1.00 52.31 H new ATOM 0 HZ2 LYS A 77 6.599 3.184 -9.778 1.00 52.31 H new ATOM 0 HZ3 LYS A 77 7.071 4.654 -9.072 1.00 52.31 H new ATOM 1218 N GLU A 78 7.471 8.450 -13.239 1.00 3.45 N ATOM 1219 CA GLU A 78 7.639 9.497 -14.240 1.00 12.11 C ATOM 1220 C GLU A 78 8.608 9.055 -15.333 1.00 33.54 C ATOM 1221 O GLU A 78 8.476 9.450 -16.491 1.00 43.11 O ATOM 1222 CB GLU A 78 8.145 10.784 -13.585 1.00 12.00 C ATOM 1223 CG GLU A 78 8.139 11.984 -14.517 1.00 12.23 C ATOM 1224 CD GLU A 78 7.348 13.152 -13.959 1.00 73.43 C ATOM 1225 OE1 GLU A 78 7.416 13.384 -12.734 1.00 51.44 O ATOM 1226 OE2 GLU A 78 6.660 13.833 -14.749 1.00 23.41 O ATOM 0 H GLU A 78 8.044 8.569 -12.404 1.00 3.45 H new ATOM 0 HA GLU A 78 6.667 9.687 -14.695 1.00 12.11 H new ATOM 0 HB2 GLU A 78 7.526 11.007 -12.716 1.00 12.00 H new ATOM 0 HB3 GLU A 78 9.160 10.622 -13.221 1.00 12.00 H new ATOM 0 HG2 GLU A 78 9.165 12.301 -14.702 1.00 12.23 H new ATOM 0 HG3 GLU A 78 7.717 11.691 -15.478 1.00 12.23 H new ATOM 1233 N ASP A 79 9.580 8.232 -14.955 1.00 4.40 N ATOM 1234 CA ASP A 79 10.572 7.735 -15.902 1.00 12.03 C ATOM 1235 C ASP A 79 9.974 6.654 -16.797 1.00 10.20 C ATOM 1236 O ASP A 79 10.350 6.522 -17.962 1.00 73.11 O ATOM 1237 CB ASP A 79 11.788 7.182 -15.156 1.00 53.44 C ATOM 1238 CG ASP A 79 12.961 8.143 -15.171 1.00 30.55 C ATOM 1239 OD1 ASP A 79 13.704 8.157 -16.174 1.00 64.21 O ATOM 1240 OD2 ASP A 79 13.135 8.880 -14.178 1.00 43.34 O ATOM 0 H ASP A 79 9.702 7.895 -14.000 1.00 4.40 H new ATOM 0 HA ASP A 79 10.889 8.568 -16.530 1.00 12.03 H new ATOM 0 HB2 ASP A 79 11.511 6.967 -14.124 1.00 53.44 H new ATOM 0 HB3 ASP A 79 12.090 6.237 -15.608 1.00 53.44 H new ATOM 1245 N ILE A 80 9.043 5.884 -16.245 1.00 20.35 N ATOM 1246 CA ILE A 80 8.394 4.815 -16.993 1.00 72.22 C ATOM 1247 C ILE A 80 7.358 5.373 -17.963 1.00 13.44 C ATOM 1248 O ILE A 80 7.205 4.876 -19.078 1.00 72.22 O ATOM 1249 CB ILE A 80 7.709 3.805 -16.054 1.00 21.25 C ATOM 1250 CG1 ILE A 80 7.092 2.661 -16.861 1.00 53.21 C ATOM 1251 CG2 ILE A 80 6.649 4.499 -15.212 1.00 54.01 C ATOM 1252 CD1 ILE A 80 8.097 1.902 -17.699 1.00 34.01 C ATOM 0 H ILE A 80 8.721 5.981 -15.282 1.00 20.35 H new ATOM 0 HA ILE A 80 9.176 4.304 -17.554 1.00 72.22 H new ATOM 0 HB ILE A 80 8.461 3.387 -15.384 1.00 21.25 H new ATOM 0 HG12 ILE A 80 6.603 1.967 -16.177 1.00 53.21 H new ATOM 0 HG13 ILE A 80 6.317 3.064 -17.514 1.00 53.21 H new ATOM 0 HG21 ILE A 80 6.174 3.772 -14.554 1.00 54.01 H new ATOM 0 HG22 ILE A 80 7.115 5.281 -14.613 1.00 54.01 H new ATOM 0 HG23 ILE A 80 5.898 4.942 -15.866 1.00 54.01 H new ATOM 0 HD11 ILE A 80 7.589 1.106 -18.244 1.00 34.01 H new ATOM 0 HD12 ILE A 80 8.568 2.583 -18.408 1.00 34.01 H new ATOM 0 HD13 ILE A 80 8.859 1.469 -17.050 1.00 34.01 H new ATOM 1264 N ARG A 81 6.650 6.411 -17.530 1.00 14.52 N ATOM 1265 CA ARG A 81 5.628 7.039 -18.360 1.00 22.24 C ATOM 1266 C ARG A 81 6.264 7.909 -19.440 1.00 1.02 C ATOM 1267 O ARG A 81 5.715 8.063 -20.531 1.00 55.14 O ATOM 1268 CB ARG A 81 4.688 7.883 -17.497 1.00 41.23 C ATOM 1269 CG ARG A 81 5.240 9.259 -17.163 1.00 12.40 C ATOM 1270 CD ARG A 81 4.781 10.303 -18.169 1.00 55.20 C ATOM 1271 NE ARG A 81 3.529 10.939 -17.766 1.00 31.42 N ATOM 1272 CZ ARG A 81 3.114 12.110 -18.236 1.00 63.43 C ATOM 1273 NH1 ARG A 81 3.848 12.769 -19.122 1.00 52.13 N ATOM 1274 NH2 ARG A 81 1.963 12.623 -17.821 1.00 23.10 N ATOM 0 H ARG A 81 6.765 6.835 -16.609 1.00 14.52 H new ATOM 0 HA ARG A 81 5.054 6.250 -18.845 1.00 22.24 H new ATOM 0 HB2 ARG A 81 3.737 7.999 -18.017 1.00 41.23 H new ATOM 0 HB3 ARG A 81 4.482 7.349 -16.570 1.00 41.23 H new ATOM 0 HG2 ARG A 81 4.917 9.549 -16.163 1.00 12.40 H new ATOM 0 HG3 ARG A 81 6.329 9.221 -17.148 1.00 12.40 H new ATOM 0 HD2 ARG A 81 5.554 11.063 -18.281 1.00 55.20 H new ATOM 0 HD3 ARG A 81 4.652 9.834 -19.144 1.00 55.20 H new ATOM 0 HE ARG A 81 2.941 10.457 -17.086 1.00 31.42 H new ATOM 0 HH11 ARG A 81 4.733 12.377 -19.444 1.00 52.13 H new ATOM 0 HH12 ARG A 81 3.528 13.668 -19.482 1.00 52.13 H new ATOM 0 HH21 ARG A 81 1.396 12.118 -17.140 1.00 23.10 H new ATOM 0 HH22 ARG A 81 1.646 13.522 -18.183 1.00 23.10 H new ATOM 1288 N LEU A 82 7.424 8.476 -19.128 1.00 42.12 N ATOM 1289 CA LEU A 82 8.135 9.332 -20.072 1.00 25.33 C ATOM 1290 C LEU A 82 8.750 8.507 -21.198 1.00 23.00 C ATOM 1291 O LEU A 82 8.691 8.891 -22.366 1.00 12.35 O ATOM 1292 CB LEU A 82 9.227 10.124 -19.350 1.00 30.44 C ATOM 1293 CG LEU A 82 9.827 11.298 -20.123 1.00 12.50 C ATOM 1294 CD1 LEU A 82 10.738 10.798 -21.233 1.00 33.40 C ATOM 1295 CD2 LEU A 82 8.725 12.181 -20.692 1.00 20.41 C ATOM 0 H LEU A 82 7.892 8.359 -18.229 1.00 42.12 H new ATOM 0 HA LEU A 82 7.417 10.028 -20.506 1.00 25.33 H new ATOM 0 HB2 LEU A 82 8.815 10.503 -18.415 1.00 30.44 H new ATOM 0 HB3 LEU A 82 10.032 9.438 -19.088 1.00 30.44 H new ATOM 0 HG LEU A 82 10.424 11.895 -19.433 1.00 12.50 H new ATOM 0 HD11 LEU A 82 11.156 11.649 -21.772 1.00 33.40 H new ATOM 0 HD12 LEU A 82 11.547 10.209 -20.802 1.00 33.40 H new ATOM 0 HD13 LEU A 82 10.165 10.178 -21.922 1.00 33.40 H new ATOM 0 HD21 LEU A 82 9.171 13.012 -21.239 1.00 20.41 H new ATOM 0 HD22 LEU A 82 8.101 11.595 -21.367 1.00 20.41 H new ATOM 0 HD23 LEU A 82 8.113 12.569 -19.878 1.00 20.41 H new ATOM 1307 N MET A 83 9.339 7.371 -20.839 1.00 72.31 N ATOM 1308 CA MET A 83 9.961 6.490 -21.820 1.00 64.25 C ATOM 1309 C MET A 83 8.936 5.996 -22.836 1.00 33.23 C ATOM 1310 O MET A 83 9.127 6.134 -24.044 1.00 21.31 O ATOM 1311 CB MET A 83 10.620 5.298 -21.123 1.00 3.44 C ATOM 1312 CG MET A 83 11.959 5.632 -20.484 1.00 53.30 C ATOM 1313 SD MET A 83 12.740 4.199 -19.719 1.00 31.24 S ATOM 1314 CE MET A 83 11.551 3.810 -18.437 1.00 22.44 C ATOM 0 H MET A 83 9.398 7.039 -19.876 1.00 72.31 H new ATOM 0 HA MET A 83 10.725 7.060 -22.349 1.00 64.25 H new ATOM 0 HB2 MET A 83 9.945 4.918 -20.356 1.00 3.44 H new ATOM 0 HB3 MET A 83 10.762 4.497 -21.848 1.00 3.44 H new ATOM 0 HG2 MET A 83 12.626 6.043 -21.242 1.00 53.30 H new ATOM 0 HG3 MET A 83 11.815 6.407 -19.731 1.00 53.30 H new ATOM 0 HE1 MET A 83 11.777 2.831 -18.016 1.00 22.44 H new ATOM 0 HE2 MET A 83 11.603 4.564 -17.651 1.00 22.44 H new ATOM 0 HE3 MET A 83 10.548 3.799 -18.863 1.00 22.44 H new ATOM 1324 N VAL A 84 7.846 5.419 -22.337 1.00 45.23 N ATOM 1325 CA VAL A 84 6.790 4.905 -23.201 1.00 42.40 C ATOM 1326 C VAL A 84 6.262 5.993 -24.129 1.00 54.13 C ATOM 1327 O VAL A 84 6.004 5.747 -25.307 1.00 1.02 O ATOM 1328 CB VAL A 84 5.620 4.335 -22.378 1.00 30.11 C ATOM 1329 CG1 VAL A 84 5.107 5.371 -21.389 1.00 64.21 C ATOM 1330 CG2 VAL A 84 4.503 3.864 -23.297 1.00 14.13 C ATOM 0 H VAL A 84 7.672 5.296 -21.339 1.00 45.23 H new ATOM 0 HA VAL A 84 7.229 4.105 -23.797 1.00 42.40 H new ATOM 0 HB VAL A 84 5.981 3.476 -21.812 1.00 30.11 H new ATOM 0 HG11 VAL A 84 4.280 4.950 -20.817 1.00 64.21 H new ATOM 0 HG12 VAL A 84 5.911 5.655 -20.710 1.00 64.21 H new ATOM 0 HG13 VAL A 84 4.762 6.251 -21.931 1.00 64.21 H new ATOM 0 HG21 VAL A 84 3.684 3.464 -22.699 1.00 14.13 H new ATOM 0 HG22 VAL A 84 4.142 4.704 -23.891 1.00 14.13 H new ATOM 0 HG23 VAL A 84 4.881 3.086 -23.960 1.00 14.13 H new ATOM 1340 N ASN A 85 6.103 7.198 -23.590 1.00 73.43 N ATOM 1341 CA ASN A 85 5.604 8.324 -24.371 1.00 3.43 C ATOM 1342 C ASN A 85 6.521 8.613 -25.555 1.00 41.35 C ATOM 1343 O ASN A 85 6.058 8.804 -26.679 1.00 42.31 O ATOM 1344 CB ASN A 85 5.484 9.569 -23.489 1.00 24.12 C ATOM 1345 CG ASN A 85 4.158 9.633 -22.756 1.00 61.13 C ATOM 1346 OD1 ASN A 85 3.118 9.258 -23.298 1.00 42.35 O ATOM 1347 ND2 ASN A 85 4.189 10.110 -21.517 1.00 61.23 N ATOM 0 H ASN A 85 6.312 7.419 -22.617 1.00 73.43 H new ATOM 0 HA ASN A 85 4.618 8.061 -24.754 1.00 3.43 H new ATOM 0 HB2 ASN A 85 6.298 9.577 -22.764 1.00 24.12 H new ATOM 0 HB3 ASN A 85 5.598 10.460 -24.106 1.00 24.12 H new ATOM 0 HD21 ASN A 85 3.328 10.177 -20.975 1.00 61.23 H new ATOM 0 HD22 ASN A 85 5.074 10.409 -21.108 1.00 61.23 H new ATOM 1354 N ASN A 86 7.824 8.643 -25.295 1.00 61.00 N ATOM 1355 CA ASN A 86 8.806 8.908 -26.340 1.00 5.53 C ATOM 1356 C ASN A 86 9.033 7.670 -27.201 1.00 21.41 C ATOM 1357 O ASN A 86 9.621 7.750 -28.280 1.00 3.31 O ATOM 1358 CB ASN A 86 10.130 9.362 -25.721 1.00 1.13 C ATOM 1359 CG ASN A 86 10.758 10.515 -26.480 1.00 23.12 C ATOM 1360 OD1 ASN A 86 10.072 11.454 -26.883 1.00 44.15 O ATOM 1361 ND2 ASN A 86 12.070 10.448 -26.678 1.00 33.12 N ATOM 0 H ASN A 86 8.224 8.487 -24.370 1.00 61.00 H new ATOM 0 HA ASN A 86 8.417 9.704 -26.975 1.00 5.53 H new ATOM 0 HB2 ASN A 86 9.961 9.661 -24.687 1.00 1.13 H new ATOM 0 HB3 ASN A 86 10.825 8.523 -25.701 1.00 1.13 H new ATOM 0 HD21 ASN A 86 12.548 11.195 -27.182 1.00 33.12 H new ATOM 0 HD22 ASN A 86 12.599 9.650 -26.326 1.00 33.12 H new ATOM 1368 N CYS A 87 8.562 6.526 -26.717 1.00 62.41 N ATOM 1369 CA CYS A 87 8.713 5.269 -27.442 1.00 63.01 C ATOM 1370 C CYS A 87 7.896 5.282 -28.730 1.00 14.45 C ATOM 1371 O CYS A 87 8.450 5.303 -29.829 1.00 25.44 O ATOM 1372 CB CYS A 87 8.283 4.094 -26.563 1.00 25.12 C ATOM 1373 SG CYS A 87 9.582 2.867 -26.283 1.00 42.31 S ATOM 0 H CYS A 87 8.073 6.443 -25.826 1.00 62.41 H new ATOM 0 HA CYS A 87 9.765 5.153 -27.702 1.00 63.01 H new ATOM 0 HB2 CYS A 87 7.948 4.478 -25.600 1.00 25.12 H new ATOM 0 HB3 CYS A 87 7.427 3.602 -27.026 1.00 25.12 H new ATOM 0 HG CYS A 87 9.123 1.914 -25.527 1.00 42.31 H new ATOM 1379 N ILE A 88 6.575 5.269 -28.585 1.00 52.34 N ATOM 1380 CA ILE A 88 5.681 5.279 -29.737 1.00 1.32 C ATOM 1381 C ILE A 88 5.756 6.609 -30.479 1.00 52.22 C ATOM 1382 O ILE A 88 5.505 6.676 -31.683 1.00 71.23 O ATOM 1383 CB ILE A 88 4.222 5.019 -29.319 1.00 72.21 C ATOM 1384 CG1 ILE A 88 3.610 6.281 -28.707 1.00 64.13 C ATOM 1385 CG2 ILE A 88 4.151 3.859 -28.336 1.00 41.54 C ATOM 1386 CD1 ILE A 88 4.160 6.616 -27.339 1.00 3.44 C ATOM 0 H ILE A 88 6.100 5.252 -27.682 1.00 52.34 H new ATOM 0 HA ILE A 88 6.009 4.477 -30.399 1.00 1.32 H new ATOM 0 HB ILE A 88 3.648 4.754 -30.207 1.00 72.21 H new ATOM 0 HG12 ILE A 88 3.787 7.122 -29.377 1.00 64.13 H new ATOM 0 HG13 ILE A 88 2.530 6.153 -28.634 1.00 64.13 H new ATOM 0 HG21 ILE A 88 3.113 3.688 -28.050 1.00 41.54 H new ATOM 0 HG22 ILE A 88 4.552 2.960 -28.805 1.00 41.54 H new ATOM 0 HG23 ILE A 88 4.737 4.098 -27.449 1.00 41.54 H new ATOM 0 HD11 ILE A 88 3.682 7.522 -26.966 1.00 3.44 H new ATOM 0 HD12 ILE A 88 3.960 5.792 -26.654 1.00 3.44 H new ATOM 0 HD13 ILE A 88 5.236 6.776 -27.409 1.00 3.44 H new ATOM 1398 N LEU A 89 6.104 7.666 -29.754 1.00 1.30 N ATOM 1399 CA LEU A 89 6.214 8.996 -30.344 1.00 5.12 C ATOM 1400 C LEU A 89 7.437 9.090 -31.250 1.00 65.25 C ATOM 1401 O LEU A 89 7.322 9.404 -32.435 1.00 63.13 O ATOM 1402 CB LEU A 89 6.297 10.057 -29.245 1.00 42.44 C ATOM 1403 CG LEU A 89 6.365 11.510 -29.719 1.00 71.31 C ATOM 1404 CD1 LEU A 89 5.640 12.424 -28.743 1.00 70.25 C ATOM 1405 CD2 LEU A 89 7.812 11.948 -29.889 1.00 2.42 C ATOM 0 H LEU A 89 6.315 7.628 -28.757 1.00 1.30 H new ATOM 0 HA LEU A 89 5.324 9.174 -30.947 1.00 5.12 H new ATOM 0 HB2 LEU A 89 5.428 9.948 -28.596 1.00 42.44 H new ATOM 0 HB3 LEU A 89 7.178 9.853 -28.636 1.00 42.44 H new ATOM 0 HG LEU A 89 5.869 11.580 -30.687 1.00 71.31 H new ATOM 0 HD11 LEU A 89 5.699 13.453 -29.096 1.00 70.25 H new ATOM 0 HD12 LEU A 89 4.595 12.124 -28.672 1.00 70.25 H new ATOM 0 HD13 LEU A 89 6.106 12.350 -27.761 1.00 70.25 H new ATOM 0 HD21 LEU A 89 7.841 12.984 -30.227 1.00 2.42 H new ATOM 0 HD22 LEU A 89 8.333 11.862 -28.935 1.00 2.42 H new ATOM 0 HD23 LEU A 89 8.300 11.312 -30.627 1.00 2.42 H new ATOM 1417 N PHE A 90 8.608 8.813 -30.686 1.00 45.33 N ATOM 1418 CA PHE A 90 9.853 8.865 -31.444 1.00 4.20 C ATOM 1419 C PHE A 90 9.993 7.642 -32.345 1.00 20.30 C ATOM 1420 O PHE A 90 10.052 7.762 -33.568 1.00 22.22 O ATOM 1421 CB PHE A 90 11.050 8.952 -30.494 1.00 51.43 C ATOM 1422 CG PHE A 90 12.254 9.608 -31.106 1.00 45.34 C ATOM 1423 CD1 PHE A 90 12.305 10.984 -31.265 1.00 61.20 C ATOM 1424 CD2 PHE A 90 13.336 8.849 -31.523 1.00 4.42 C ATOM 1425 CE1 PHE A 90 13.412 11.590 -31.829 1.00 21.42 C ATOM 1426 CE2 PHE A 90 14.446 9.450 -32.087 1.00 23.32 C ATOM 1427 CZ PHE A 90 14.484 10.822 -32.239 1.00 65.20 C ATOM 0 H PHE A 90 8.721 8.550 -29.707 1.00 45.33 H new ATOM 0 HA PHE A 90 9.830 9.756 -32.072 1.00 4.20 H new ATOM 0 HB2 PHE A 90 10.757 9.507 -29.603 1.00 51.43 H new ATOM 0 HB3 PHE A 90 11.320 7.947 -30.169 1.00 51.43 H new ATOM 0 HD1 PHE A 90 11.470 11.590 -30.945 1.00 61.20 H new ATOM 0 HD2 PHE A 90 13.312 7.776 -31.406 1.00 4.42 H new ATOM 0 HE1 PHE A 90 13.439 12.663 -31.949 1.00 21.42 H new ATOM 0 HE2 PHE A 90 15.282 8.847 -32.408 1.00 23.32 H new ATOM 0 HZ PHE A 90 15.351 11.294 -32.678 1.00 65.20 H new ATOM 1437 N ASN A 91 10.046 6.464 -31.730 1.00 54.43 N ATOM 1438 CA ASN A 91 10.180 5.218 -32.476 1.00 14.21 C ATOM 1439 C ASN A 91 10.256 4.024 -31.530 1.00 30.23 C ATOM 1440 O ASN A 91 11.265 3.814 -30.858 1.00 63.24 O ATOM 1441 CB ASN A 91 11.426 5.261 -33.362 1.00 51.43 C ATOM 1442 CG ASN A 91 11.093 5.121 -34.835 1.00 50.41 C ATOM 1443 OD1 ASN A 91 11.421 5.991 -35.643 1.00 22.15 O ATOM 1444 ND2 ASN A 91 10.438 4.023 -35.192 1.00 35.25 N ATOM 0 H ASN A 91 9.998 6.347 -30.718 1.00 54.43 H new ATOM 0 HA ASN A 91 9.298 5.104 -33.107 1.00 14.21 H new ATOM 0 HB2 ASN A 91 11.952 6.202 -33.199 1.00 51.43 H new ATOM 0 HB3 ASN A 91 12.105 4.461 -33.068 1.00 51.43 H new ATOM 0 HD21 ASN A 91 10.187 3.874 -36.169 1.00 35.25 H new ATOM 0 HD22 ASN A 91 10.186 3.328 -34.489 1.00 35.25 H new ATOM 1451 N GLY A 92 9.181 3.243 -31.483 1.00 14.03 N ATOM 1452 CA GLY A 92 9.146 2.079 -30.617 1.00 3.14 C ATOM 1453 C GLY A 92 8.141 1.043 -31.078 1.00 62.50 C ATOM 1454 O GLY A 92 8.517 -0.004 -31.607 1.00 14.55 O ATOM 0 H GLY A 92 8.333 3.396 -32.029 1.00 14.03 H new ATOM 0 HA2 GLY A 92 10.137 1.628 -30.580 1.00 3.14 H new ATOM 0 HA3 GLY A 92 8.901 2.392 -29.602 1.00 3.14 H new ATOM 1458 N ALA A 93 6.860 1.332 -30.877 1.00 11.24 N ATOM 1459 CA ALA A 93 5.798 0.417 -31.276 1.00 51.21 C ATOM 1460 C ALA A 93 5.167 0.851 -32.595 1.00 12.02 C ATOM 1461 O ALA A 93 5.366 0.212 -33.628 1.00 14.44 O ATOM 1462 CB ALA A 93 4.740 0.329 -30.186 1.00 72.33 C ATOM 0 H ALA A 93 6.532 2.193 -30.440 1.00 11.24 H new ATOM 0 HA ALA A 93 6.237 -0.570 -31.421 1.00 51.21 H new ATOM 0 HB1 ALA A 93 3.953 -0.358 -30.497 1.00 72.33 H new ATOM 0 HB2 ALA A 93 5.196 -0.035 -29.265 1.00 72.33 H new ATOM 0 HB3 ALA A 93 4.312 1.317 -30.013 1.00 72.33 H new ATOM 1468 N GLU A 94 4.405 1.940 -32.551 1.00 63.23 N ATOM 1469 CA GLU A 94 3.744 2.457 -33.744 1.00 21.23 C ATOM 1470 C GLU A 94 2.830 1.401 -34.360 1.00 2.51 C ATOM 1471 O GLU A 94 2.477 1.480 -35.536 1.00 2.53 O ATOM 1472 CB GLU A 94 4.781 2.912 -34.772 1.00 44.31 C ATOM 1473 CG GLU A 94 4.456 4.251 -35.413 1.00 2.23 C ATOM 1474 CD GLU A 94 3.268 4.175 -36.352 1.00 45.23 C ATOM 1475 OE1 GLU A 94 3.438 3.672 -37.483 1.00 4.51 O ATOM 1476 OE2 GLU A 94 2.170 4.618 -35.958 1.00 12.33 O ATOM 0 H GLU A 94 4.230 2.480 -31.704 1.00 63.23 H new ATOM 0 HA GLU A 94 3.136 3.312 -33.450 1.00 21.23 H new ATOM 0 HB2 GLU A 94 5.755 2.977 -34.288 1.00 44.31 H new ATOM 0 HB3 GLU A 94 4.863 2.155 -35.552 1.00 44.31 H new ATOM 0 HG2 GLU A 94 4.251 4.983 -34.632 1.00 2.23 H new ATOM 0 HG3 GLU A 94 5.327 4.607 -35.963 1.00 2.23 H new ATOM 1483 N GLY A 95 2.451 0.413 -33.556 1.00 22.33 N ATOM 1484 CA GLY A 95 1.583 -0.645 -34.039 1.00 12.11 C ATOM 1485 C GLY A 95 1.453 -1.786 -33.049 1.00 54.33 C ATOM 1486 O GLY A 95 0.434 -2.476 -33.018 1.00 64.01 O ATOM 0 H GLY A 95 2.729 0.326 -32.579 1.00 22.33 H new ATOM 0 HA2 GLY A 95 0.595 -0.234 -34.247 1.00 12.11 H new ATOM 0 HA3 GLY A 95 1.973 -1.029 -34.982 1.00 12.11 H new ATOM 1490 N ALA A 96 2.487 -1.985 -32.239 1.00 63.55 N ATOM 1491 CA ALA A 96 2.484 -3.050 -31.244 1.00 71.31 C ATOM 1492 C ALA A 96 2.669 -2.489 -29.839 1.00 1.44 C ATOM 1493 O ALA A 96 3.645 -2.804 -29.157 1.00 41.44 O ATOM 1494 CB ALA A 96 3.572 -4.067 -31.556 1.00 33.53 C ATOM 0 H ALA A 96 3.338 -1.423 -32.252 1.00 63.55 H new ATOM 0 HA ALA A 96 1.515 -3.547 -31.283 1.00 71.31 H new ATOM 0 HB1 ALA A 96 3.558 -4.857 -30.805 1.00 33.53 H new ATOM 0 HB2 ALA A 96 3.394 -4.500 -32.541 1.00 33.53 H new ATOM 0 HB3 ALA A 96 4.544 -3.574 -31.547 1.00 33.53 H new ATOM 1500 N TYR A 97 1.727 -1.655 -29.411 1.00 22.31 N ATOM 1501 CA TYR A 97 1.789 -1.047 -28.087 1.00 74.12 C ATOM 1502 C TYR A 97 1.993 -2.107 -27.009 1.00 60.34 C ATOM 1503 O TYR A 97 2.584 -1.839 -25.964 1.00 32.54 O ATOM 1504 CB TYR A 97 0.509 -0.258 -27.806 1.00 11.13 C ATOM 1505 CG TYR A 97 -0.704 -1.132 -27.581 1.00 54.30 C ATOM 1506 CD1 TYR A 97 -1.500 -1.538 -28.645 1.00 44.55 C ATOM 1507 CD2 TYR A 97 -1.055 -1.552 -26.304 1.00 22.51 C ATOM 1508 CE1 TYR A 97 -2.609 -2.335 -28.445 1.00 34.24 C ATOM 1509 CE2 TYR A 97 -2.162 -2.352 -26.094 1.00 0.53 C ATOM 1510 CZ TYR A 97 -2.936 -2.740 -27.167 1.00 53.21 C ATOM 1511 OH TYR A 97 -4.040 -3.536 -26.963 1.00 12.40 O ATOM 0 H TYR A 97 0.912 -1.385 -29.962 1.00 22.31 H new ATOM 0 HA TYR A 97 2.640 -0.367 -28.067 1.00 74.12 H new ATOM 0 HB2 TYR A 97 0.664 0.368 -26.927 1.00 11.13 H new ATOM 0 HB3 TYR A 97 0.314 0.412 -28.644 1.00 11.13 H new ATOM 0 HD1 TYR A 97 -1.246 -1.224 -29.647 1.00 44.55 H new ATOM 0 HD2 TYR A 97 -0.452 -1.248 -25.461 1.00 22.51 H new ATOM 0 HE1 TYR A 97 -3.217 -2.640 -29.284 1.00 34.24 H new ATOM 0 HE2 TYR A 97 -2.419 -2.672 -25.095 1.00 0.53 H new ATOM 0 HH TYR A 97 -4.129 -3.733 -26.007 1.00 12.40 H new ATOM 1521 N ALA A 98 1.500 -3.313 -27.274 1.00 2.14 N ATOM 1522 CA ALA A 98 1.630 -4.415 -26.329 1.00 23.31 C ATOM 1523 C ALA A 98 3.089 -4.643 -25.949 1.00 23.23 C ATOM 1524 O ALA A 98 3.387 -5.154 -24.869 1.00 72.40 O ATOM 1525 CB ALA A 98 1.031 -5.685 -26.914 1.00 72.41 C ATOM 0 H ALA A 98 1.007 -3.551 -28.135 1.00 2.14 H new ATOM 0 HA ALA A 98 1.083 -4.151 -25.424 1.00 23.31 H new ATOM 0 HB1 ALA A 98 1.135 -6.500 -26.198 1.00 72.41 H new ATOM 0 HB2 ALA A 98 -0.025 -5.524 -27.129 1.00 72.41 H new ATOM 0 HB3 ALA A 98 1.553 -5.943 -27.835 1.00 72.41 H new ATOM 1531 N ASP A 99 3.995 -4.261 -26.842 1.00 61.54 N ATOM 1532 CA ASP A 99 5.424 -4.424 -26.600 1.00 70.01 C ATOM 1533 C ASP A 99 5.873 -3.578 -25.413 1.00 25.22 C ATOM 1534 O ASP A 99 6.747 -3.982 -24.646 1.00 0.01 O ATOM 1535 CB ASP A 99 6.221 -4.039 -27.847 1.00 64.33 C ATOM 1536 CG ASP A 99 5.743 -4.768 -29.088 1.00 12.51 C ATOM 1537 OD1 ASP A 99 4.977 -5.743 -28.944 1.00 71.13 O ATOM 1538 OD2 ASP A 99 6.135 -4.362 -30.202 1.00 70.45 O ATOM 0 H ASP A 99 3.765 -3.836 -27.740 1.00 61.54 H new ATOM 0 HA ASP A 99 5.611 -5.472 -26.368 1.00 70.01 H new ATOM 0 HB2 ASP A 99 6.142 -2.964 -28.008 1.00 64.33 H new ATOM 0 HB3 ASP A 99 7.276 -4.260 -27.683 1.00 64.33 H new ATOM 1543 N ALA A 100 5.271 -2.402 -25.269 1.00 21.43 N ATOM 1544 CA ALA A 100 5.609 -1.500 -24.175 1.00 34.12 C ATOM 1545 C ALA A 100 4.916 -1.920 -22.883 1.00 33.20 C ATOM 1546 O ALA A 100 5.404 -1.645 -21.788 1.00 4.04 O ATOM 1547 CB ALA A 100 5.235 -0.070 -24.536 1.00 33.14 C ATOM 0 H ALA A 100 4.547 -2.052 -25.896 1.00 21.43 H new ATOM 0 HA ALA A 100 6.686 -1.553 -24.013 1.00 34.12 H new ATOM 0 HB1 ALA A 100 5.493 0.593 -23.710 1.00 33.14 H new ATOM 0 HB2 ALA A 100 5.780 0.234 -25.429 1.00 33.14 H new ATOM 0 HB3 ALA A 100 4.164 -0.011 -24.727 1.00 33.14 H new ATOM 1553 N ALA A 101 3.774 -2.587 -23.019 1.00 65.51 N ATOM 1554 CA ALA A 101 3.015 -3.046 -21.862 1.00 63.55 C ATOM 1555 C ALA A 101 3.740 -4.180 -21.144 1.00 42.35 C ATOM 1556 O ALA A 101 3.608 -4.344 -19.932 1.00 12.24 O ATOM 1557 CB ALA A 101 1.624 -3.493 -22.288 1.00 2.24 C ATOM 0 H ALA A 101 3.354 -2.821 -23.919 1.00 65.51 H new ATOM 0 HA ALA A 101 2.920 -2.212 -21.166 1.00 63.55 H new ATOM 0 HB1 ALA A 101 1.068 -3.833 -21.415 1.00 2.24 H new ATOM 0 HB2 ALA A 101 1.099 -2.657 -22.750 1.00 2.24 H new ATOM 0 HB3 ALA A 101 1.708 -4.309 -23.005 1.00 2.24 H new ATOM 1563 N ARG A 102 4.506 -4.959 -21.901 1.00 73.41 N ATOM 1564 CA ARG A 102 5.250 -6.079 -21.337 1.00 0.34 C ATOM 1565 C ARG A 102 6.208 -5.601 -20.249 1.00 33.43 C ATOM 1566 O ARG A 102 6.205 -6.120 -19.132 1.00 14.24 O ATOM 1567 CB ARG A 102 6.029 -6.806 -22.434 1.00 4.21 C ATOM 1568 CG ARG A 102 6.136 -8.306 -22.213 1.00 43.21 C ATOM 1569 CD ARG A 102 7.450 -8.678 -21.543 1.00 34.00 C ATOM 1570 NE ARG A 102 8.321 -9.441 -22.432 1.00 71.34 N ATOM 1571 CZ ARG A 102 8.171 -10.739 -22.673 1.00 35.13 C ATOM 1572 NH1 ARG A 102 7.188 -11.414 -22.093 1.00 74.43 N ATOM 1573 NH2 ARG A 102 9.004 -11.364 -23.495 1.00 1.23 N ATOM 0 H ARG A 102 4.628 -4.835 -22.906 1.00 73.41 H new ATOM 0 HA ARG A 102 4.535 -6.770 -20.891 1.00 0.34 H new ATOM 0 HB2 ARG A 102 5.546 -6.622 -23.394 1.00 4.21 H new ATOM 0 HB3 ARG A 102 7.032 -6.384 -22.496 1.00 4.21 H new ATOM 0 HG2 ARG A 102 5.303 -8.644 -21.596 1.00 43.21 H new ATOM 0 HG3 ARG A 102 6.055 -8.823 -23.169 1.00 43.21 H new ATOM 0 HD2 ARG A 102 7.963 -7.771 -21.223 1.00 34.00 H new ATOM 0 HD3 ARG A 102 7.247 -9.262 -20.646 1.00 34.00 H new ATOM 0 HE ARG A 102 9.087 -8.951 -22.894 1.00 71.34 H new ATOM 0 HH11 ARG A 102 6.545 -10.937 -21.461 1.00 74.43 H new ATOM 0 HH12 ARG A 102 7.074 -12.410 -22.279 1.00 74.43 H new ATOM 0 HH21 ARG A 102 9.761 -10.848 -23.943 1.00 1.23 H new ATOM 0 HH22 ARG A 102 8.887 -12.360 -23.679 1.00 1.23 H new ATOM 1587 N THR A 103 7.028 -4.610 -20.583 1.00 12.32 N ATOM 1588 CA THR A 103 7.992 -4.063 -19.636 1.00 71.51 C ATOM 1589 C THR A 103 7.290 -3.357 -18.482 1.00 73.21 C ATOM 1590 O THR A 103 7.773 -3.365 -17.350 1.00 21.42 O ATOM 1591 CB THR A 103 8.952 -3.073 -20.321 1.00 25.00 C ATOM 1592 OG1 THR A 103 9.831 -2.492 -19.351 1.00 32.03 O ATOM 1593 CG2 THR A 103 8.179 -1.974 -21.034 1.00 72.54 C ATOM 0 H THR A 103 7.044 -4.169 -21.503 1.00 12.32 H new ATOM 0 HA THR A 103 8.566 -4.905 -19.248 1.00 71.51 H new ATOM 0 HB THR A 103 9.537 -3.621 -21.059 1.00 25.00 H new ATOM 0 HG1 THR A 103 10.293 -1.724 -19.747 1.00 32.03 H new ATOM 0 HG21 THR A 103 8.879 -1.287 -21.510 1.00 72.54 H new ATOM 0 HG22 THR A 103 7.533 -2.417 -21.792 1.00 72.54 H new ATOM 0 HG23 THR A 103 7.571 -1.430 -20.312 1.00 72.54 H new ATOM 1601 N PHE A 104 6.146 -2.747 -18.776 1.00 23.12 N ATOM 1602 CA PHE A 104 5.377 -2.035 -17.762 1.00 21.33 C ATOM 1603 C PHE A 104 4.993 -2.968 -16.617 1.00 15.22 C ATOM 1604 O PHE A 104 5.219 -2.658 -15.448 1.00 3.32 O ATOM 1605 CB PHE A 104 4.119 -1.424 -18.381 1.00 73.24 C ATOM 1606 CG PHE A 104 3.269 -0.674 -17.396 1.00 33.41 C ATOM 1607 CD1 PHE A 104 3.502 0.667 -17.139 1.00 41.02 C ATOM 1608 CD2 PHE A 104 2.237 -1.311 -16.726 1.00 35.22 C ATOM 1609 CE1 PHE A 104 2.722 1.360 -16.233 1.00 55.12 C ATOM 1610 CE2 PHE A 104 1.452 -0.623 -15.819 1.00 65.21 C ATOM 1611 CZ PHE A 104 1.696 0.714 -15.572 1.00 20.35 C ATOM 0 H PHE A 104 5.731 -2.732 -19.708 1.00 23.12 H new ATOM 0 HA PHE A 104 6.001 -1.236 -17.363 1.00 21.33 H new ATOM 0 HB2 PHE A 104 4.411 -0.748 -19.185 1.00 73.24 H new ATOM 0 HB3 PHE A 104 3.524 -2.218 -18.832 1.00 73.24 H new ATOM 0 HD1 PHE A 104 4.303 1.177 -17.653 1.00 41.02 H new ATOM 0 HD2 PHE A 104 2.043 -2.357 -16.914 1.00 35.22 H new ATOM 0 HE1 PHE A 104 2.915 2.405 -16.042 1.00 55.12 H new ATOM 0 HE2 PHE A 104 0.649 -1.130 -15.304 1.00 65.21 H new ATOM 0 HZ PHE A 104 1.085 1.253 -14.863 1.00 20.35 H new ATOM 1621 N GLU A 105 4.409 -4.111 -16.963 1.00 52.10 N ATOM 1622 CA GLU A 105 3.991 -5.088 -15.964 1.00 43.22 C ATOM 1623 C GLU A 105 5.177 -5.542 -15.118 1.00 44.31 C ATOM 1624 O GLU A 105 5.080 -5.641 -13.895 1.00 24.42 O ATOM 1625 CB GLU A 105 3.341 -6.296 -16.641 1.00 65.52 C ATOM 1626 CG GLU A 105 1.855 -6.121 -16.903 1.00 21.21 C ATOM 1627 CD GLU A 105 1.438 -6.636 -18.267 1.00 22.01 C ATOM 1628 OE1 GLU A 105 1.503 -5.856 -19.240 1.00 15.41 O ATOM 1629 OE2 GLU A 105 1.048 -7.818 -18.362 1.00 33.24 O ATOM 0 H GLU A 105 4.215 -4.383 -17.927 1.00 52.10 H new ATOM 0 HA GLU A 105 3.261 -4.611 -15.309 1.00 43.22 H new ATOM 0 HB2 GLU A 105 3.848 -6.488 -17.587 1.00 65.52 H new ATOM 0 HB3 GLU A 105 3.490 -7.176 -16.015 1.00 65.52 H new ATOM 0 HG2 GLU A 105 1.290 -6.646 -16.133 1.00 21.21 H new ATOM 0 HG3 GLU A 105 1.598 -5.065 -16.823 1.00 21.21 H new ATOM 1636 N LYS A 106 6.297 -5.816 -15.779 1.00 21.43 N ATOM 1637 CA LYS A 106 7.503 -6.259 -15.090 1.00 24.32 C ATOM 1638 C LYS A 106 7.863 -5.306 -13.955 1.00 13.14 C ATOM 1639 O LYS A 106 8.322 -5.732 -12.895 1.00 14.04 O ATOM 1640 CB LYS A 106 8.670 -6.359 -16.075 1.00 24.22 C ATOM 1641 CG LYS A 106 8.895 -7.762 -16.612 1.00 31.24 C ATOM 1642 CD LYS A 106 9.411 -8.697 -15.530 1.00 75.03 C ATOM 1643 CE LYS A 106 8.454 -9.856 -15.293 1.00 1.44 C ATOM 1644 NZ LYS A 106 8.831 -10.648 -14.089 1.00 51.13 N ATOM 0 H LYS A 106 6.394 -5.739 -16.791 1.00 21.43 H new ATOM 0 HA LYS A 106 7.308 -7.244 -14.666 1.00 24.32 H new ATOM 0 HB2 LYS A 106 8.487 -5.684 -16.911 1.00 24.22 H new ATOM 0 HB3 LYS A 106 9.580 -6.017 -15.582 1.00 24.22 H new ATOM 0 HG2 LYS A 106 7.961 -8.152 -17.016 1.00 31.24 H new ATOM 0 HG3 LYS A 106 9.609 -7.727 -17.435 1.00 31.24 H new ATOM 0 HD2 LYS A 106 10.389 -9.084 -15.818 1.00 75.03 H new ATOM 0 HD3 LYS A 106 9.548 -8.141 -14.602 1.00 75.03 H new ATOM 0 HE2 LYS A 106 7.441 -9.472 -15.173 1.00 1.44 H new ATOM 0 HE3 LYS A 106 8.447 -10.506 -16.168 1.00 1.44 H new ATOM 0 HZ1 LYS A 106 8.155 -11.428 -13.961 1.00 51.13 H new ATOM 0 HZ2 LYS A 106 9.788 -11.036 -14.214 1.00 51.13 H new ATOM 0 HZ3 LYS A 106 8.813 -10.034 -13.250 1.00 51.13 H new ATOM 1658 N PHE A 107 7.650 -4.014 -14.183 1.00 71.21 N ATOM 1659 CA PHE A 107 7.951 -3.000 -13.179 1.00 30.50 C ATOM 1660 C PHE A 107 7.047 -3.157 -11.960 1.00 33.11 C ATOM 1661 O PHE A 107 7.514 -3.141 -10.821 1.00 74.44 O ATOM 1662 CB PHE A 107 7.788 -1.600 -13.773 1.00 15.23 C ATOM 1663 CG PHE A 107 9.078 -0.995 -14.247 1.00 22.25 C ATOM 1664 CD1 PHE A 107 9.821 -1.608 -15.243 1.00 54.34 C ATOM 1665 CD2 PHE A 107 9.549 0.186 -13.696 1.00 31.24 C ATOM 1666 CE1 PHE A 107 11.009 -1.054 -15.681 1.00 10.25 C ATOM 1667 CE2 PHE A 107 10.736 0.745 -14.129 1.00 64.41 C ATOM 1668 CZ PHE A 107 11.467 0.124 -15.124 1.00 12.43 C ATOM 0 H PHE A 107 7.270 -3.645 -15.054 1.00 71.21 H new ATOM 0 HA PHE A 107 8.985 -3.134 -12.862 1.00 30.50 H new ATOM 0 HB2 PHE A 107 7.090 -1.648 -14.609 1.00 15.23 H new ATOM 0 HB3 PHE A 107 7.343 -0.946 -13.023 1.00 15.23 H new ATOM 0 HD1 PHE A 107 9.468 -2.529 -15.682 1.00 54.34 H new ATOM 0 HD2 PHE A 107 8.981 0.676 -12.919 1.00 31.24 H new ATOM 0 HE1 PHE A 107 11.579 -1.542 -16.458 1.00 10.25 H new ATOM 0 HE2 PHE A 107 11.092 1.666 -13.691 1.00 64.41 H new ATOM 0 HZ PHE A 107 12.395 0.559 -15.465 1.00 12.43 H new ATOM 1678 N ALA A 108 5.750 -3.307 -12.208 1.00 72.51 N ATOM 1679 CA ALA A 108 4.780 -3.468 -11.132 1.00 72.31 C ATOM 1680 C ALA A 108 5.201 -4.577 -10.174 1.00 25.11 C ATOM 1681 O ALA A 108 5.179 -4.400 -8.956 1.00 43.24 O ATOM 1682 CB ALA A 108 3.400 -3.759 -11.704 1.00 42.12 C ATOM 0 H ALA A 108 5.347 -3.320 -13.145 1.00 72.51 H new ATOM 0 HA ALA A 108 4.740 -2.534 -10.571 1.00 72.31 H new ATOM 0 HB1 ALA A 108 2.686 -3.877 -10.889 1.00 42.12 H new ATOM 0 HB2 ALA A 108 3.089 -2.932 -12.342 1.00 42.12 H new ATOM 0 HB3 ALA A 108 3.436 -4.677 -12.291 1.00 42.12 H new ATOM 1688 N MET A 109 5.585 -5.721 -10.732 1.00 14.11 N ATOM 1689 CA MET A 109 6.012 -6.859 -9.926 1.00 11.53 C ATOM 1690 C MET A 109 7.209 -6.489 -9.055 1.00 71.13 C ATOM 1691 O MET A 109 7.278 -6.866 -7.886 1.00 42.42 O ATOM 1692 CB MET A 109 6.367 -8.044 -10.825 1.00 42.24 C ATOM 1693 CG MET A 109 5.822 -9.372 -10.325 1.00 1.51 C ATOM 1694 SD MET A 109 5.409 -10.503 -11.667 1.00 24.02 S ATOM 1695 CE MET A 109 5.332 -12.060 -10.785 1.00 33.12 C ATOM 0 H MET A 109 5.609 -5.884 -11.739 1.00 14.11 H new ATOM 0 HA MET A 109 5.185 -7.142 -9.275 1.00 11.53 H new ATOM 0 HB2 MET A 109 5.982 -7.857 -11.827 1.00 42.24 H new ATOM 0 HB3 MET A 109 7.452 -8.114 -10.908 1.00 42.24 H new ATOM 0 HG2 MET A 109 6.560 -9.841 -9.674 1.00 1.51 H new ATOM 0 HG3 MET A 109 4.933 -9.191 -9.721 1.00 1.51 H new ATOM 0 HE1 MET A 109 5.085 -12.861 -11.482 1.00 33.12 H new ATOM 0 HE2 MET A 109 6.298 -12.265 -10.324 1.00 33.12 H new ATOM 0 HE3 MET A 109 4.566 -12.003 -10.012 1.00 33.12 H new ATOM 1705 N GLY A 110 8.150 -5.750 -9.634 1.00 44.31 N ATOM 1706 CA GLY A 110 9.332 -5.343 -8.896 1.00 51.53 C ATOM 1707 C GLY A 110 8.995 -4.508 -7.676 1.00 73.53 C ATOM 1708 O GLY A 110 9.508 -4.755 -6.585 1.00 21.13 O ATOM 0 H GLY A 110 8.115 -5.426 -10.600 1.00 44.31 H new ATOM 0 HA2 GLY A 110 9.885 -6.229 -8.584 1.00 51.53 H new ATOM 0 HA3 GLY A 110 9.988 -4.772 -9.553 1.00 51.53 H new ATOM 1712 N LYS A 111 8.130 -3.516 -7.860 1.00 62.43 N ATOM 1713 CA LYS A 111 7.725 -2.642 -6.767 1.00 15.35 C ATOM 1714 C LYS A 111 7.253 -3.455 -5.565 1.00 65.23 C ATOM 1715 O LYS A 111 7.615 -3.162 -4.425 1.00 54.23 O ATOM 1716 CB LYS A 111 6.610 -1.699 -7.226 1.00 71.34 C ATOM 1717 CG LYS A 111 6.682 -0.319 -6.596 1.00 71.14 C ATOM 1718 CD LYS A 111 5.428 0.490 -6.882 1.00 41.32 C ATOM 1719 CE LYS A 111 4.350 0.235 -5.840 1.00 70.52 C ATOM 1720 NZ LYS A 111 2.984 0.466 -6.387 1.00 22.02 N ATOM 0 H LYS A 111 7.696 -3.298 -8.757 1.00 62.43 H new ATOM 0 HA LYS A 111 8.592 -2.053 -6.468 1.00 15.35 H new ATOM 0 HB2 LYS A 111 6.656 -1.597 -8.310 1.00 71.34 H new ATOM 0 HB3 LYS A 111 5.645 -2.148 -6.988 1.00 71.34 H new ATOM 0 HG2 LYS A 111 6.816 -0.416 -5.519 1.00 71.14 H new ATOM 0 HG3 LYS A 111 7.554 0.212 -6.979 1.00 71.14 H new ATOM 0 HD2 LYS A 111 5.675 1.552 -6.899 1.00 41.32 H new ATOM 0 HD3 LYS A 111 5.047 0.235 -7.871 1.00 41.32 H new ATOM 0 HE2 LYS A 111 4.428 -0.791 -5.480 1.00 70.52 H new ATOM 0 HE3 LYS A 111 4.513 0.887 -4.982 1.00 70.52 H new ATOM 0 HZ1 LYS A 111 2.276 0.107 -5.715 1.00 22.02 H new ATOM 0 HZ2 LYS A 111 2.837 1.485 -6.534 1.00 22.02 H new ATOM 0 HZ3 LYS A 111 2.885 -0.032 -7.294 1.00 22.02 H new ATOM 1734 N ILE A 112 6.447 -4.478 -5.829 1.00 24.13 N ATOM 1735 CA ILE A 112 5.930 -5.335 -4.769 1.00 51.20 C ATOM 1736 C ILE A 112 7.064 -5.979 -3.980 1.00 25.22 C ATOM 1737 O ILE A 112 7.011 -6.064 -2.753 1.00 33.22 O ATOM 1738 CB ILE A 112 5.019 -6.441 -5.334 1.00 25.23 C ATOM 1739 CG1 ILE A 112 3.864 -5.826 -6.126 1.00 33.25 C ATOM 1740 CG2 ILE A 112 4.490 -7.318 -4.208 1.00 44.43 C ATOM 1741 CD1 ILE A 112 3.129 -6.823 -6.995 1.00 11.44 C ATOM 0 H ILE A 112 6.138 -4.733 -6.767 1.00 24.13 H new ATOM 0 HA ILE A 112 5.346 -4.698 -4.105 1.00 51.20 H new ATOM 0 HB ILE A 112 5.605 -7.065 -6.009 1.00 25.23 H new ATOM 0 HG12 ILE A 112 3.158 -5.373 -5.430 1.00 33.25 H new ATOM 0 HG13 ILE A 112 4.251 -5.024 -6.755 1.00 33.25 H new ATOM 0 HG21 ILE A 112 3.848 -8.095 -4.623 1.00 44.43 H new ATOM 0 HG22 ILE A 112 5.326 -7.780 -3.683 1.00 44.43 H new ATOM 0 HG23 ILE A 112 3.917 -6.708 -3.510 1.00 44.43 H new ATOM 0 HD11 ILE A 112 2.323 -6.317 -7.527 1.00 11.44 H new ATOM 0 HD12 ILE A 112 3.822 -7.259 -7.715 1.00 11.44 H new ATOM 0 HD13 ILE A 112 2.711 -7.612 -6.370 1.00 11.44 H new ATOM 1753 N ASP A 113 8.091 -6.430 -4.692 1.00 23.02 N ATOM 1754 CA ASP A 113 9.241 -7.064 -4.058 1.00 64.41 C ATOM 1755 C ASP A 113 9.896 -6.123 -3.052 1.00 55.50 C ATOM 1756 O ASP A 113 10.194 -6.514 -1.924 1.00 44.32 O ATOM 1757 CB ASP A 113 10.262 -7.491 -5.114 1.00 51.25 C ATOM 1758 CG ASP A 113 9.742 -8.600 -6.008 1.00 14.14 C ATOM 1759 OD1 ASP A 113 8.549 -8.556 -6.373 1.00 74.04 O ATOM 1760 OD2 ASP A 113 10.527 -9.512 -6.340 1.00 62.22 O ATOM 0 H ASP A 113 8.151 -6.368 -5.708 1.00 23.02 H new ATOM 0 HA ASP A 113 8.889 -7.947 -3.526 1.00 64.41 H new ATOM 0 HB2 ASP A 113 10.529 -6.630 -5.726 1.00 51.25 H new ATOM 0 HB3 ASP A 113 11.174 -7.825 -4.619 1.00 51.25 H new ATOM 1765 N ALA A 114 10.116 -4.880 -3.469 1.00 12.01 N ATOM 1766 CA ALA A 114 10.734 -3.882 -2.604 1.00 74.32 C ATOM 1767 C ALA A 114 9.878 -3.620 -1.370 1.00 33.22 C ATOM 1768 O ALA A 114 10.393 -3.509 -0.257 1.00 62.02 O ATOM 1769 CB ALA A 114 10.966 -2.590 -3.372 1.00 51.51 C ATOM 0 H ALA A 114 9.875 -4.540 -4.400 1.00 12.01 H new ATOM 0 HA ALA A 114 11.696 -4.271 -2.270 1.00 74.32 H new ATOM 0 HB1 ALA A 114 11.428 -1.854 -2.714 1.00 51.51 H new ATOM 0 HB2 ALA A 114 11.624 -2.783 -4.219 1.00 51.51 H new ATOM 0 HB3 ALA A 114 10.012 -2.206 -3.734 1.00 51.51 H new ATOM 1775 N TYR A 115 8.569 -3.522 -1.573 1.00 52.34 N ATOM 1776 CA TYR A 115 7.642 -3.269 -0.477 1.00 34.22 C ATOM 1777 C TYR A 115 7.911 -4.211 0.692 1.00 21.44 C ATOM 1778 O TYR A 115 7.969 -3.786 1.846 1.00 3.44 O ATOM 1779 CB TYR A 115 6.198 -3.431 -0.955 1.00 34.35 C ATOM 1780 CG TYR A 115 5.202 -3.595 0.172 1.00 60.34 C ATOM 1781 CD1 TYR A 115 5.253 -2.780 1.295 1.00 5.12 C ATOM 1782 CD2 TYR A 115 4.209 -4.565 0.111 1.00 20.52 C ATOM 1783 CE1 TYR A 115 4.346 -2.927 2.327 1.00 44.13 C ATOM 1784 CE2 TYR A 115 3.297 -4.719 1.137 1.00 13.33 C ATOM 1785 CZ TYR A 115 3.370 -3.897 2.243 1.00 71.40 C ATOM 1786 OH TYR A 115 2.464 -4.046 3.268 1.00 75.03 O ATOM 0 H TYR A 115 8.126 -3.614 -2.487 1.00 52.34 H new ATOM 0 HA TYR A 115 7.792 -2.244 -0.137 1.00 34.22 H new ATOM 0 HB2 TYR A 115 5.921 -2.560 -1.550 1.00 34.35 H new ATOM 0 HB3 TYR A 115 6.137 -4.299 -1.612 1.00 34.35 H new ATOM 0 HD1 TYR A 115 6.015 -2.018 1.363 1.00 5.12 H new ATOM 0 HD2 TYR A 115 4.149 -5.210 -0.753 1.00 20.52 H new ATOM 0 HE1 TYR A 115 4.401 -2.286 3.194 1.00 44.13 H new ATOM 0 HE2 TYR A 115 2.531 -5.478 1.074 1.00 13.33 H new ATOM 0 HH TYR A 115 1.843 -4.772 3.052 1.00 75.03 H new ATOM 1796 N ILE A 116 8.075 -5.494 0.385 1.00 43.53 N ATOM 1797 CA ILE A 116 8.341 -6.496 1.409 1.00 74.54 C ATOM 1798 C ILE A 116 9.696 -6.264 2.068 1.00 15.43 C ATOM 1799 O ILE A 116 9.859 -6.482 3.269 1.00 71.45 O ATOM 1800 CB ILE A 116 8.305 -7.921 0.824 1.00 52.10 C ATOM 1801 CG1 ILE A 116 6.970 -8.173 0.120 1.00 30.40 C ATOM 1802 CG2 ILE A 116 8.534 -8.950 1.921 1.00 2.41 C ATOM 1803 CD1 ILE A 116 5.775 -8.097 1.045 1.00 43.34 C ATOM 0 H ILE A 116 8.028 -5.863 -0.565 1.00 43.53 H new ATOM 0 HA ILE A 116 7.555 -6.398 2.158 1.00 74.54 H new ATOM 0 HB ILE A 116 9.105 -8.017 0.090 1.00 52.10 H new ATOM 0 HG12 ILE A 116 6.847 -7.443 -0.680 1.00 30.40 H new ATOM 0 HG13 ILE A 116 6.995 -9.157 -0.348 1.00 30.40 H new ATOM 0 HG21 ILE A 116 8.506 -9.952 1.492 1.00 2.41 H new ATOM 0 HG22 ILE A 116 9.507 -8.780 2.382 1.00 2.41 H new ATOM 0 HG23 ILE A 116 7.754 -8.857 2.676 1.00 2.41 H new ATOM 0 HD11 ILE A 116 4.863 -8.286 0.478 1.00 43.34 H new ATOM 0 HD12 ILE A 116 5.875 -8.846 1.831 1.00 43.34 H new ATOM 0 HD13 ILE A 116 5.724 -7.105 1.493 1.00 43.34 H new ATOM 1815 N SER A 117 10.664 -5.817 1.276 1.00 45.23 N ATOM 1816 CA SER A 117 12.007 -5.556 1.782 1.00 12.50 C ATOM 1817 C SER A 117 12.012 -4.342 2.707 1.00 50.03 C ATOM 1818 O SER A 117 12.705 -4.327 3.724 1.00 72.04 O ATOM 1819 CB SER A 117 12.978 -5.331 0.621 1.00 12.33 C ATOM 1820 OG SER A 117 13.978 -6.334 0.592 1.00 70.15 O ATOM 0 H SER A 117 10.544 -5.628 0.281 1.00 45.23 H new ATOM 0 HA SER A 117 12.330 -6.427 2.352 1.00 12.50 H new ATOM 0 HB2 SER A 117 12.430 -5.332 -0.321 1.00 12.33 H new ATOM 0 HB3 SER A 117 13.444 -4.351 0.717 1.00 12.33 H new ATOM 0 HG SER A 117 14.585 -6.169 -0.160 1.00 70.15 H new ATOM 1826 N GLN A 118 11.234 -3.327 2.345 1.00 42.13 N ATOM 1827 CA GLN A 118 11.149 -2.108 3.141 1.00 24.30 C ATOM 1828 C GLN A 118 9.746 -1.926 3.709 1.00 12.21 C ATOM 1829 O GLN A 118 8.917 -1.223 3.131 1.00 52.04 O ATOM 1830 CB GLN A 118 11.532 -0.893 2.294 1.00 31.15 C ATOM 1831 CG GLN A 118 10.781 -0.810 0.975 1.00 22.02 C ATOM 1832 CD GLN A 118 11.696 -0.945 -0.226 1.00 72.12 C ATOM 1833 OE1 GLN A 118 11.582 -0.194 -1.195 1.00 75.35 O ATOM 1834 NE2 GLN A 118 12.611 -1.906 -0.169 1.00 12.31 N ATOM 0 H GLN A 118 10.654 -3.324 1.506 1.00 42.13 H new ATOM 0 HA GLN A 118 11.848 -2.197 3.972 1.00 24.30 H new ATOM 0 HB2 GLN A 118 11.343 0.014 2.868 1.00 31.15 H new ATOM 0 HB3 GLN A 118 12.603 -0.924 2.092 1.00 31.15 H new ATOM 0 HG2 GLN A 118 10.025 -1.595 0.941 1.00 22.02 H new ATOM 0 HG3 GLN A 118 10.254 0.143 0.920 1.00 22.02 H new ATOM 0 HE21 GLN A 118 12.670 -2.506 0.654 1.00 12.31 H new ATOM 0 HE22 GLN A 118 13.255 -2.044 -0.948 1.00 12.31 H new ATOM 1843 N LYS A 119 9.485 -2.563 4.845 1.00 23.43 N ATOM 1844 CA LYS A 119 8.182 -2.471 5.493 1.00 24.54 C ATOM 1845 C LYS A 119 8.308 -1.851 6.881 1.00 14.21 C ATOM 1846 O LYS A 119 7.646 -0.860 7.191 1.00 43.42 O ATOM 1847 CB LYS A 119 7.543 -3.858 5.599 1.00 64.00 C ATOM 1848 CG LYS A 119 6.436 -4.096 4.587 1.00 13.13 C ATOM 1849 CD LYS A 119 5.355 -5.005 5.148 1.00 55.34 C ATOM 1850 CE LYS A 119 4.416 -4.248 6.075 1.00 31.20 C ATOM 1851 NZ LYS A 119 3.294 -5.105 6.548 1.00 32.22 N ATOM 0 H LYS A 119 10.159 -3.149 5.337 1.00 23.43 H new ATOM 0 HA LYS A 119 7.545 -1.830 4.884 1.00 24.54 H new ATOM 0 HB2 LYS A 119 8.315 -4.616 5.465 1.00 64.00 H new ATOM 0 HB3 LYS A 119 7.140 -3.987 6.603 1.00 64.00 H new ATOM 0 HG2 LYS A 119 5.996 -3.142 4.296 1.00 13.13 H new ATOM 0 HG3 LYS A 119 6.856 -4.542 3.685 1.00 13.13 H new ATOM 0 HD2 LYS A 119 4.785 -5.442 4.329 1.00 55.34 H new ATOM 0 HD3 LYS A 119 5.817 -5.830 5.691 1.00 55.34 H new ATOM 0 HE2 LYS A 119 4.975 -3.875 6.933 1.00 31.20 H new ATOM 0 HE3 LYS A 119 4.014 -3.379 5.554 1.00 31.20 H new ATOM 0 HZ1 LYS A 119 2.677 -4.553 7.177 1.00 32.22 H new ATOM 0 HZ2 LYS A 119 2.745 -5.440 5.731 1.00 32.22 H new ATOM 0 HZ3 LYS A 119 3.676 -5.921 7.067 1.00 32.22 H new ATOM 1865 N VAL A 120 9.161 -2.439 7.713 1.00 61.40 N ATOM 1866 CA VAL A 120 9.375 -1.942 9.067 1.00 71.51 C ATOM 1867 C VAL A 120 10.386 -0.802 9.080 1.00 2.33 C ATOM 1868 O VAL A 120 10.610 -0.169 10.111 1.00 3.12 O ATOM 1869 CB VAL A 120 9.867 -3.061 10.004 1.00 31.22 C ATOM 1870 CG1 VAL A 120 11.275 -3.495 9.625 1.00 12.24 C ATOM 1871 CG2 VAL A 120 9.813 -2.603 11.454 1.00 62.21 C ATOM 0 H VAL A 120 9.716 -3.261 7.473 1.00 61.40 H new ATOM 0 HA VAL A 120 8.413 -1.575 9.425 1.00 71.51 H new ATOM 0 HB VAL A 120 9.206 -3.921 9.893 1.00 31.22 H new ATOM 0 HG11 VAL A 120 11.605 -4.286 10.298 1.00 12.24 H new ATOM 0 HG12 VAL A 120 11.278 -3.866 8.600 1.00 12.24 H new ATOM 0 HG13 VAL A 120 11.952 -2.644 9.705 1.00 12.24 H new ATOM 0 HG21 VAL A 120 10.164 -3.406 12.102 1.00 62.21 H new ATOM 0 HG22 VAL A 120 10.450 -1.728 11.583 1.00 62.21 H new ATOM 0 HG23 VAL A 120 8.787 -2.347 11.717 1.00 62.21 H new ATOM 1881 N GLY A 121 10.995 -0.544 7.927 1.00 51.05 N ATOM 1882 CA GLY A 121 11.976 0.521 7.827 1.00 55.21 C ATOM 1883 C GLY A 121 11.368 1.891 8.053 1.00 40.55 C ATOM 1884 O GLY A 121 12.070 2.839 8.403 1.00 14.24 O ATOM 0 H GLY A 121 10.827 -1.054 7.060 1.00 51.05 H new ATOM 0 HA2 GLY A 121 12.767 0.353 8.558 1.00 55.21 H new ATOM 0 HA3 GLY A 121 12.441 0.491 6.842 1.00 55.21 H new ATOM 1888 N GLY A 122 10.058 1.998 7.849 1.00 63.50 N ATOM 1889 CA GLY A 122 9.379 3.266 8.035 1.00 11.34 C ATOM 1890 C GLY A 122 8.503 3.634 6.854 1.00 3.20 C ATOM 1891 O GLY A 122 7.909 4.713 6.824 1.00 20.31 O ATOM 0 H GLY A 122 9.455 1.228 7.558 1.00 63.50 H new ATOM 0 HA2 GLY A 122 8.767 3.218 8.936 1.00 11.34 H new ATOM 0 HA3 GLY A 122 10.119 4.051 8.193 1.00 11.34 H new ATOM 1895 N LEU A 123 8.424 2.738 5.877 1.00 72.21 N ATOM 1896 CA LEU A 123 7.615 2.974 4.686 1.00 43.02 C ATOM 1897 C LEU A 123 6.251 2.304 4.812 1.00 12.22 C ATOM 1898 O LEU A 123 5.217 2.937 4.600 1.00 72.42 O ATOM 1899 CB LEU A 123 8.339 2.453 3.443 1.00 52.12 C ATOM 1900 CG LEU A 123 8.805 3.513 2.444 1.00 22.11 C ATOM 1901 CD1 LEU A 123 9.678 2.885 1.368 1.00 1.25 C ATOM 1902 CD2 LEU A 123 7.611 4.219 1.819 1.00 12.23 C ATOM 0 H LEU A 123 8.910 1.841 5.886 1.00 72.21 H new ATOM 0 HA LEU A 123 7.463 4.049 4.587 1.00 43.02 H new ATOM 0 HB2 LEU A 123 9.208 1.880 3.767 1.00 52.12 H new ATOM 0 HB3 LEU A 123 7.676 1.760 2.925 1.00 52.12 H new ATOM 0 HG LEU A 123 9.399 4.253 2.980 1.00 22.11 H new ATOM 0 HD11 LEU A 123 10.000 3.654 0.666 1.00 1.25 H new ATOM 0 HD12 LEU A 123 10.552 2.426 1.830 1.00 1.25 H new ATOM 0 HD13 LEU A 123 9.108 2.124 0.835 1.00 1.25 H new ATOM 0 HD21 LEU A 123 7.962 4.970 1.111 1.00 12.23 H new ATOM 0 HD22 LEU A 123 6.990 3.491 1.298 1.00 12.23 H new ATOM 0 HD23 LEU A 123 7.025 4.703 2.600 1.00 12.23 H new ATOM 1914 N GLU A 124 6.257 1.021 5.161 1.00 11.53 N ATOM 1915 CA GLU A 124 5.019 0.267 5.317 1.00 11.03 C ATOM 1916 C GLU A 124 5.309 -1.180 5.706 1.00 72.05 C ATOM 1917 O GLU A 124 5.165 -1.562 6.866 1.00 4.24 O ATOM 1918 CB GLU A 124 4.205 0.306 4.022 1.00 63.20 C ATOM 1919 CG GLU A 124 5.053 0.185 2.767 1.00 41.32 C ATOM 1920 CD GLU A 124 4.219 0.133 1.502 1.00 55.42 C ATOM 1921 OE1 GLU A 124 2.975 0.128 1.611 1.00 73.12 O ATOM 1922 OE2 GLU A 124 4.810 0.098 0.403 1.00 43.55 O ATOM 0 H GLU A 124 7.105 0.483 5.341 1.00 11.53 H new ATOM 0 HA GLU A 124 4.439 0.730 6.115 1.00 11.03 H new ATOM 0 HB2 GLU A 124 3.475 -0.504 4.037 1.00 63.20 H new ATOM 0 HB3 GLU A 124 3.644 1.240 3.983 1.00 63.20 H new ATOM 0 HG2 GLU A 124 5.737 1.032 2.712 1.00 41.32 H new ATOM 0 HG3 GLU A 124 5.665 -0.715 2.832 1.00 41.32 H new TER 1929 GLU A 124