USER MOD reduce.3.24.130724 H: found=0, std=0, add=1267, rem=0, adj=60 USER MOD reduce.3.24.130724 removed 1268 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 74 SER OG : rot 110:sc= -1.11 USER MOD Set 1.2: B 74 SER OG : rot -100:sc= -1.19 USER MOD Set 2.1: B 66 MET CE :methyl -123:sc= -4.09 (180deg=-8.36!) USER MOD Set 2.2: B 67 THR OG1 : rot 180:sc= -0.312 USER MOD Set 3.1: B 62 THR OG1 : rot 84:sc= 0.949 USER MOD Set 3.2: B 76 GLN :FLIP amide:sc= -0.81 F(o=-1.4,f=0.14) USER MOD Set 4.1: B 51 ASN :FLIP amide:sc=-0.00875 X(o=-1.7,f=-1.3) USER MOD Set 4.2: B 54 GLN :FLIP amide:sc= -1.28 F(o=-1.9,f=-1.3) USER MOD Set 5.1: A 66 MET CE :methyl -112:sc= -3.48 (180deg=-8.58!) USER MOD Set 5.2: A 67 THR OG1 : rot 180:sc= -0.197 USER MOD Set 6.1: A 51 ASN : amide:sc= -0.522 K(o=-1.6,f=-7.4!) USER MOD Set 6.2: A 54 GLN :FLIP amide:sc= -1.06 F(o=-2.9,f=-1.6) USER MOD Set 7.1: A 21 GLN :FLIP amide:sc= -0.0336 F(o=-0.67,f=-0.034) USER MOD Set 7.2: A 22 GLN :FLIP amide:sc= 0 F(o=-0.67,f=-0.034) USER MOD Set 8.1: A 15 SER OG : rot -82:sc= 0.947 USER MOD Set 8.2: A 61 TYR OH : rot 180:sc= 0 USER MOD Set 9.1: A 8 LYS NZ :NH3+ -155:sc= -0.0069 (180deg=0) USER MOD Set 9.2: B 50 MET CE :methyl -162:sc= -0.536 (180deg=-1.64) USER MOD Single : A 4 THR OG1 : rot 9:sc= 0.721 USER MOD Single : A 6 SER OG : rot 87:sc= 1.12 USER MOD Single : A 12 MET CE :methyl -164:sc= -0.755 (180deg=-1.29) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= -0.127 (180deg=-0.127) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -100:sc= -0.72 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 102:sc= 1.14 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.161 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -147:sc= -2.54! (180deg=-4.57!) USER MOD Single : A 50 MET CE :methyl -122:sc= -1.73 (180deg=-2.31!) USER MOD Single : A 55 THR OG1 : rot -95:sc= 0.823 USER MOD Single : A 57 GLN : amide:sc= -5.86! C(o=-5.9!,f=-7.8!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -146:sc= 1.21 (180deg=0.152) USER MOD Single : A 62 THR OG1 : rot -70:sc= 0.445 USER MOD Single : A 68 ASN : amide:sc=-0.000818 X(o=-0.00082,f=-0.00082) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 76 GLN : amide:sc= -1.59 K(o=-1.6,f=-4.7!) USER MOD Single : A 83 HIS : no HD1:sc= -0.216 X(o=-0.22,f=0) USER MOD Single : B 4 THR OG1 : rot 23:sc= 0.653 USER MOD Single : B 6 SER OG : rot 108:sc= -0.0407 USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 MET CE :methyl 137:sc= -4.89! (180deg=-7.07!) USER MOD Single : B 14 LYS NZ :NH3+ -160:sc= -0.259 (180deg=-0.992) USER MOD Single : B 15 SER OG : rot -38:sc= 0 USER MOD Single : B 17 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 SER OG : rot 180:sc= 0 USER MOD Single : B 21 GLN : amide:sc= 0 X(o=0,f=-0.006) USER MOD Single : B 22 GLN : amide:sc= -0.0855 X(o=-0.085,f=-0.085) USER MOD Single : B 27 THR OG1 : rot -70:sc= 0.186 USER MOD Single : B 31 TYR OH : rot 30:sc= 0 USER MOD Single : B 33 THR OG1 : rot 180:sc= 0 USER MOD Single : B 35 SER OG : rot 83:sc= 0.36 USER MOD Single : B 36 TYR OH : rot 180:sc= 0 USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 SER OG : rot 9:sc= 0.663! USER MOD Single : B 42 SER OG : rot 180:sc= 0 USER MOD Single : B 43 THR OG1 : rot 180:sc= 0 USER MOD Single : B 46 THR OG1 : rot 60:sc= 0.289 USER MOD Single : B 49 MET CE :methyl 159:sc= -2.56 (180deg=-4.65!) USER MOD Single : B 55 THR OG1 : rot -89:sc= -0.909 USER MOD Single : B 57 GLN : amide:sc= -1.65 X(o=-1.6,f=-1.7!) USER MOD Single : B 59 THR OG1 : rot 180:sc= 0 USER MOD Single : B 60 LYS NZ :NH3+ -151:sc= -0.172 (180deg=-0.848) USER MOD Single : B 61 TYR OH : rot 180:sc= 0 USER MOD Single : B 68 ASN : amide:sc= -0.0764 K(o=-0.076,f=-0.59) USER MOD Single : B 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 43 N THR A 4 4.517 5.833 -6.937 1.00 55.11 N ATOM 44 CA THR A 4 5.641 6.637 -7.400 1.00 61.02 C ATOM 45 C THR A 4 5.301 8.123 -7.377 1.00 34.12 C ATOM 46 O THR A 4 4.134 8.500 -7.263 1.00 24.32 O ATOM 47 CB THR A 4 6.064 6.241 -8.827 1.00 65.03 C ATOM 48 OG1 THR A 4 5.411 5.026 -9.213 1.00 41.45 O ATOM 49 CG2 THR A 4 7.573 6.062 -8.914 1.00 24.23 C ATOM 0 HA THR A 4 6.469 6.446 -6.717 1.00 61.02 H new ATOM 0 HB THR A 4 5.769 7.042 -9.505 1.00 65.03 H new ATOM 0 HG1 THR A 4 4.732 4.793 -8.546 1.00 41.45 H new ATOM 0 HG21 THR A 4 7.848 5.782 -9.931 1.00 24.23 H new ATOM 0 HG22 THR A 4 8.066 6.997 -8.649 1.00 24.23 H new ATOM 0 HG23 THR A 4 7.887 5.278 -8.225 1.00 24.23 H new ATOM 57 N ILE A 5 6.326 8.962 -7.486 1.00 21.33 N ATOM 58 CA ILE A 5 6.133 10.406 -7.479 1.00 1.35 C ATOM 59 C ILE A 5 5.066 10.823 -8.485 1.00 62.20 C ATOM 60 O ILE A 5 4.193 11.635 -8.178 1.00 53.40 O ATOM 61 CB ILE A 5 7.443 11.149 -7.800 1.00 73.54 C ATOM 62 CG1 ILE A 5 8.533 10.766 -6.795 1.00 25.20 C ATOM 63 CG2 ILE A 5 7.215 12.654 -7.793 1.00 34.15 C ATOM 64 CD1 ILE A 5 9.879 11.384 -7.099 1.00 64.05 C ATOM 0 H ILE A 5 7.298 8.666 -7.580 1.00 21.33 H new ATOM 0 HA ILE A 5 5.807 10.676 -6.475 1.00 1.35 H new ATOM 0 HB ILE A 5 7.774 10.856 -8.796 1.00 73.54 H new ATOM 0 HG12 ILE A 5 8.219 11.072 -5.797 1.00 25.20 H new ATOM 0 HG13 ILE A 5 8.636 9.681 -6.779 1.00 25.20 H new ATOM 0 HG21 ILE A 5 8.150 13.165 -8.022 1.00 34.15 H new ATOM 0 HG22 ILE A 5 6.468 12.912 -8.543 1.00 34.15 H new ATOM 0 HG23 ILE A 5 6.863 12.964 -6.809 1.00 34.15 H new ATOM 0 HD11 ILE A 5 10.602 11.069 -6.347 1.00 64.05 H new ATOM 0 HD12 ILE A 5 10.215 11.058 -8.084 1.00 64.05 H new ATOM 0 HD13 ILE A 5 9.792 12.470 -7.086 1.00 64.05 H new ATOM 76 N SER A 6 5.141 10.261 -9.687 1.00 63.44 N ATOM 77 CA SER A 6 4.182 10.576 -10.740 1.00 34.41 C ATOM 78 C SER A 6 2.752 10.344 -10.259 1.00 2.22 C ATOM 79 O SER A 6 1.866 11.163 -10.499 1.00 53.23 O ATOM 80 CB SER A 6 4.459 9.728 -11.982 1.00 71.40 C ATOM 81 OG SER A 6 3.579 8.619 -12.049 1.00 42.32 O ATOM 0 H SER A 6 5.856 9.585 -9.956 1.00 63.44 H new ATOM 0 HA SER A 6 4.294 11.629 -10.997 1.00 34.41 H new ATOM 0 HB2 SER A 6 4.346 10.340 -12.877 1.00 71.40 H new ATOM 0 HB3 SER A 6 5.491 9.377 -11.964 1.00 71.40 H new ATOM 0 HG SER A 6 2.753 8.884 -12.506 1.00 42.32 H new ATOM 87 N GLU A 7 2.538 9.222 -9.580 1.00 61.11 N ATOM 88 CA GLU A 7 1.217 8.881 -9.066 1.00 23.42 C ATOM 89 C GLU A 7 0.716 9.950 -8.099 1.00 40.04 C ATOM 90 O GLU A 7 -0.489 10.162 -7.958 1.00 33.31 O ATOM 91 CB GLU A 7 1.252 7.521 -8.366 1.00 72.32 C ATOM 92 CG GLU A 7 1.065 6.345 -9.311 1.00 53.22 C ATOM 93 CD GLU A 7 -0.372 6.185 -9.766 1.00 62.25 C ATOM 94 OE1 GLU A 7 -0.789 6.918 -10.687 1.00 43.33 O ATOM 95 OE2 GLU A 7 -1.080 5.325 -9.200 1.00 50.32 O ATOM 0 H GLU A 7 3.262 8.534 -9.373 1.00 61.11 H new ATOM 0 HA GLU A 7 0.530 8.829 -9.911 1.00 23.42 H new ATOM 0 HB2 GLU A 7 2.205 7.413 -7.849 1.00 72.32 H new ATOM 0 HB3 GLU A 7 0.472 7.493 -7.606 1.00 72.32 H new ATOM 0 HG2 GLU A 7 1.705 6.479 -10.183 1.00 53.22 H new ATOM 0 HG3 GLU A 7 1.389 5.430 -8.815 1.00 53.22 H new ATOM 102 N LYS A 8 1.650 10.621 -7.434 1.00 33.13 N ATOM 103 CA LYS A 8 1.307 11.668 -6.480 1.00 4.14 C ATOM 104 C LYS A 8 0.798 12.914 -7.198 1.00 74.14 C ATOM 105 O LYS A 8 0.298 13.845 -6.567 1.00 64.53 O ATOM 106 CB LYS A 8 2.523 12.024 -5.621 1.00 75.53 C ATOM 107 CG LYS A 8 3.350 10.818 -5.210 1.00 22.34 C ATOM 108 CD LYS A 8 4.362 11.177 -4.134 1.00 11.10 C ATOM 109 CE LYS A 8 4.219 10.280 -2.914 1.00 11.21 C ATOM 110 NZ LYS A 8 5.543 9.839 -2.392 1.00 5.33 N ATOM 0 H LYS A 8 2.651 10.458 -7.539 1.00 33.13 H new ATOM 0 HA LYS A 8 0.513 11.290 -5.836 1.00 4.14 H new ATOM 0 HB2 LYS A 8 3.157 12.718 -6.173 1.00 75.53 H new ATOM 0 HB3 LYS A 8 2.185 12.545 -4.725 1.00 75.53 H new ATOM 0 HG2 LYS A 8 2.691 10.031 -4.843 1.00 22.34 H new ATOM 0 HG3 LYS A 8 3.870 10.418 -6.081 1.00 22.34 H new ATOM 0 HD2 LYS A 8 5.371 11.087 -4.537 1.00 11.10 H new ATOM 0 HD3 LYS A 8 4.228 12.218 -3.840 1.00 11.10 H new ATOM 0 HE2 LYS A 8 3.680 10.814 -2.132 1.00 11.21 H new ATOM 0 HE3 LYS A 8 3.621 9.406 -3.174 1.00 11.21 H new ATOM 0 HZ1 LYS A 8 5.431 8.944 -1.874 1.00 5.33 H new ATOM 0 HZ2 LYS A 8 6.200 9.700 -3.186 1.00 5.33 H new ATOM 0 HZ3 LYS A 8 5.923 10.565 -1.751 1.00 5.33 H new ATOM 124 N ILE A 9 0.928 12.922 -8.521 1.00 15.20 N ATOM 125 CA ILE A 9 0.479 14.053 -9.324 1.00 41.10 C ATOM 126 C ILE A 9 -0.690 13.659 -10.222 1.00 71.21 C ATOM 127 O ILE A 9 -1.200 14.474 -10.990 1.00 5.21 O ATOM 128 CB ILE A 9 1.617 14.609 -10.199 1.00 42.44 C ATOM 129 CG1 ILE A 9 2.920 14.672 -9.400 1.00 3.22 C ATOM 130 CG2 ILE A 9 1.250 15.986 -10.733 1.00 73.14 C ATOM 131 CD1 ILE A 9 4.094 15.199 -10.195 1.00 55.24 C ATOM 0 H ILE A 9 1.340 12.159 -9.059 1.00 15.20 H new ATOM 0 HA ILE A 9 0.156 14.826 -8.627 1.00 41.10 H new ATOM 0 HB ILE A 9 1.764 13.939 -11.046 1.00 42.44 H new ATOM 0 HG12 ILE A 9 2.770 15.306 -8.526 1.00 3.22 H new ATOM 0 HG13 ILE A 9 3.160 13.674 -9.033 1.00 3.22 H new ATOM 0 HG21 ILE A 9 2.064 16.366 -11.350 1.00 73.14 H new ATOM 0 HG22 ILE A 9 0.343 15.914 -11.334 1.00 73.14 H new ATOM 0 HG23 ILE A 9 1.079 16.666 -9.899 1.00 73.14 H new ATOM 0 HD11 ILE A 9 4.983 15.215 -9.564 1.00 55.24 H new ATOM 0 HD12 ILE A 9 4.271 14.552 -11.055 1.00 55.24 H new ATOM 0 HD13 ILE A 9 3.875 16.210 -10.540 1.00 55.24 H new ATOM 143 N VAL A 10 -1.112 12.401 -10.119 1.00 4.30 N ATOM 144 CA VAL A 10 -2.222 11.899 -10.918 1.00 43.34 C ATOM 145 C VAL A 10 -3.497 11.799 -10.088 1.00 34.04 C ATOM 146 O VAL A 10 -4.562 12.253 -10.507 1.00 71.51 O ATOM 147 CB VAL A 10 -1.903 10.516 -11.516 1.00 22.34 C ATOM 148 CG1 VAL A 10 -2.955 10.121 -12.541 1.00 23.30 C ATOM 149 CG2 VAL A 10 -0.514 10.513 -12.138 1.00 51.14 C ATOM 0 H VAL A 10 -0.701 11.712 -9.489 1.00 4.30 H new ATOM 0 HA VAL A 10 -2.375 12.611 -11.729 1.00 43.34 H new ATOM 0 HB VAL A 10 -1.919 9.780 -10.712 1.00 22.34 H new ATOM 0 HG11 VAL A 10 -2.712 9.141 -12.952 1.00 23.30 H new ATOM 0 HG12 VAL A 10 -3.933 10.081 -12.062 1.00 23.30 H new ATOM 0 HG13 VAL A 10 -2.974 10.857 -13.345 1.00 23.30 H new ATOM 0 HG21 VAL A 10 -0.305 9.528 -12.556 1.00 51.14 H new ATOM 0 HG22 VAL A 10 -0.468 11.260 -12.930 1.00 51.14 H new ATOM 0 HG23 VAL A 10 0.227 10.748 -11.374 1.00 51.14 H new ATOM 159 N LEU A 11 -3.380 11.204 -8.906 1.00 33.50 N ATOM 160 CA LEU A 11 -4.524 11.044 -8.014 1.00 22.11 C ATOM 161 C LEU A 11 -5.149 12.395 -7.684 1.00 23.40 C ATOM 162 O LEU A 11 -6.363 12.569 -7.786 1.00 73.14 O ATOM 163 CB LEU A 11 -4.096 10.340 -6.725 1.00 73.11 C ATOM 164 CG LEU A 11 -2.835 10.882 -6.050 1.00 24.02 C ATOM 165 CD1 LEU A 11 -3.201 11.843 -4.929 1.00 11.31 C ATOM 166 CD2 LEU A 11 -1.981 9.740 -5.519 1.00 62.13 C ATOM 0 H LEU A 11 -2.506 10.825 -8.543 1.00 33.50 H new ATOM 0 HA LEU A 11 -5.269 10.434 -8.524 1.00 22.11 H new ATOM 0 HB2 LEU A 11 -4.919 10.398 -6.013 1.00 73.11 H new ATOM 0 HB3 LEU A 11 -3.940 9.284 -6.946 1.00 73.11 H new ATOM 0 HG LEU A 11 -2.254 11.428 -6.793 1.00 24.02 H new ATOM 0 HD11 LEU A 11 -2.291 12.219 -4.460 1.00 11.31 H new ATOM 0 HD12 LEU A 11 -3.770 12.678 -5.337 1.00 11.31 H new ATOM 0 HD13 LEU A 11 -3.804 11.322 -4.185 1.00 11.31 H new ATOM 0 HD21 LEU A 11 -1.088 10.145 -5.042 1.00 62.13 H new ATOM 0 HD22 LEU A 11 -2.553 9.166 -4.790 1.00 62.13 H new ATOM 0 HD23 LEU A 11 -1.689 9.090 -6.344 1.00 62.13 H new ATOM 178 N MET A 12 -4.312 13.350 -7.291 1.00 51.31 N ATOM 179 CA MET A 12 -4.784 14.687 -6.950 1.00 35.35 C ATOM 180 C MET A 12 -5.321 15.405 -8.183 1.00 14.33 C ATOM 181 O MET A 12 -6.343 16.088 -8.120 1.00 15.55 O ATOM 182 CB MET A 12 -3.654 15.505 -6.321 1.00 43.44 C ATOM 183 CG MET A 12 -2.312 15.318 -7.011 1.00 42.04 C ATOM 184 SD MET A 12 -1.122 16.599 -6.572 1.00 23.34 S ATOM 185 CE MET A 12 -0.996 17.489 -8.122 1.00 1.34 C ATOM 0 H MET A 12 -3.304 13.223 -7.201 1.00 51.31 H new ATOM 0 HA MET A 12 -5.595 14.586 -6.229 1.00 35.35 H new ATOM 0 HB2 MET A 12 -3.923 16.561 -6.347 1.00 43.44 H new ATOM 0 HB3 MET A 12 -3.556 15.227 -5.272 1.00 43.44 H new ATOM 0 HG2 MET A 12 -1.904 14.342 -6.746 1.00 42.04 H new ATOM 0 HG3 MET A 12 -2.460 15.319 -8.091 1.00 42.04 H new ATOM 0 HE1 MET A 12 -0.108 18.120 -8.108 1.00 1.34 H new ATOM 0 HE2 MET A 12 -0.923 16.778 -8.945 1.00 1.34 H new ATOM 0 HE3 MET A 12 -1.881 18.111 -8.258 1.00 1.34 H new ATOM 195 N ARG A 13 -4.625 15.246 -9.305 1.00 72.22 N ATOM 196 CA ARG A 13 -5.032 15.881 -10.553 1.00 43.34 C ATOM 197 C ARG A 13 -6.432 15.431 -10.960 1.00 25.20 C ATOM 198 O ARG A 13 -7.262 16.243 -11.370 1.00 32.00 O ATOM 199 CB ARG A 13 -4.036 15.553 -11.665 1.00 43.40 C ATOM 200 CG ARG A 13 -4.597 15.750 -13.064 1.00 23.54 C ATOM 201 CD ARG A 13 -3.491 15.985 -14.081 1.00 1.24 C ATOM 202 NE ARG A 13 -3.370 14.877 -15.025 1.00 13.15 N ATOM 203 CZ ARG A 13 -4.294 14.581 -15.932 1.00 62.43 C ATOM 204 NH1 ARG A 13 -5.401 15.307 -16.017 1.00 34.04 N ATOM 205 NH2 ARG A 13 -4.112 13.557 -16.756 1.00 3.12 N ATOM 0 H ARG A 13 -3.777 14.683 -9.375 1.00 72.22 H new ATOM 0 HA ARG A 13 -5.047 16.959 -10.395 1.00 43.34 H new ATOM 0 HB2 ARG A 13 -3.152 16.180 -11.546 1.00 43.40 H new ATOM 0 HB3 ARG A 13 -3.710 14.519 -11.556 1.00 43.40 H new ATOM 0 HG2 ARG A 13 -5.176 14.873 -13.351 1.00 23.54 H new ATOM 0 HG3 ARG A 13 -5.281 16.599 -13.066 1.00 23.54 H new ATOM 0 HD2 ARG A 13 -3.691 16.907 -14.628 1.00 1.24 H new ATOM 0 HD3 ARG A 13 -2.543 16.123 -13.560 1.00 1.24 H new ATOM 0 HE ARG A 13 -2.530 14.299 -14.986 1.00 13.15 H new ATOM 0 HH11 ARG A 13 -5.544 16.095 -15.385 1.00 34.04 H new ATOM 0 HH12 ARG A 13 -6.109 15.078 -16.714 1.00 34.04 H new ATOM 0 HH21 ARG A 13 -3.262 12.997 -16.693 1.00 3.12 H new ATOM 0 HH22 ARG A 13 -4.822 13.330 -17.452 1.00 3.12 H new ATOM 219 N LYS A 14 -6.688 14.133 -10.844 1.00 43.14 N ATOM 220 CA LYS A 14 -7.987 13.574 -11.199 1.00 24.33 C ATOM 221 C LYS A 14 -9.052 13.986 -10.188 1.00 14.43 C ATOM 222 O LYS A 14 -10.249 13.857 -10.444 1.00 20.12 O ATOM 223 CB LYS A 14 -7.905 12.048 -11.275 1.00 73.54 C ATOM 224 CG LYS A 14 -7.314 11.534 -12.577 1.00 21.53 C ATOM 225 CD LYS A 14 -7.136 10.025 -12.551 1.00 2.42 C ATOM 226 CE LYS A 14 -6.144 9.600 -11.480 1.00 1.21 C ATOM 227 NZ LYS A 14 -5.619 8.227 -11.724 1.00 3.32 N ATOM 0 H LYS A 14 -6.012 13.447 -10.507 1.00 43.14 H new ATOM 0 HA LYS A 14 -8.268 13.966 -12.176 1.00 24.33 H new ATOM 0 HB2 LYS A 14 -7.302 11.683 -10.443 1.00 73.54 H new ATOM 0 HB3 LYS A 14 -8.905 11.632 -11.151 1.00 73.54 H new ATOM 0 HG2 LYS A 14 -7.964 11.810 -13.407 1.00 21.53 H new ATOM 0 HG3 LYS A 14 -6.351 12.012 -12.754 1.00 21.53 H new ATOM 0 HD2 LYS A 14 -8.098 9.547 -12.368 1.00 2.42 H new ATOM 0 HD3 LYS A 14 -6.790 9.681 -13.526 1.00 2.42 H new ATOM 0 HE2 LYS A 14 -5.314 10.307 -11.452 1.00 1.21 H new ATOM 0 HE3 LYS A 14 -6.626 9.636 -10.503 1.00 1.21 H new ATOM 0 HZ1 LYS A 14 -4.946 7.974 -10.973 1.00 3.32 H new ATOM 0 HZ2 LYS A 14 -6.408 7.549 -11.725 1.00 3.32 H new ATOM 0 HZ3 LYS A 14 -5.136 8.198 -12.645 1.00 3.32 H new ATOM 241 N SER A 15 -8.609 14.486 -9.038 1.00 0.52 N ATOM 242 CA SER A 15 -9.524 14.915 -7.988 1.00 34.52 C ATOM 243 C SER A 15 -10.242 16.201 -8.386 1.00 4.13 C ATOM 244 O SER A 15 -11.391 16.426 -8.005 1.00 42.32 O ATOM 245 CB SER A 15 -8.764 15.127 -6.676 1.00 23.33 C ATOM 246 OG SER A 15 -8.468 16.498 -6.474 1.00 1.04 O ATOM 0 H SER A 15 -7.622 14.604 -8.811 1.00 0.52 H new ATOM 0 HA SER A 15 -10.269 14.132 -7.846 1.00 34.52 H new ATOM 0 HB2 SER A 15 -9.359 14.754 -5.843 1.00 23.33 H new ATOM 0 HB3 SER A 15 -7.839 14.550 -6.691 1.00 23.33 H new ATOM 0 HG SER A 15 -7.662 16.736 -6.978 1.00 1.04 H new ATOM 252 N GLU A 16 -9.556 17.042 -9.155 1.00 24.43 N ATOM 253 CA GLU A 16 -10.129 18.304 -9.604 1.00 22.34 C ATOM 254 C GLU A 16 -11.120 18.079 -10.742 1.00 32.11 C ATOM 255 O GLU A 16 -11.782 19.011 -11.198 1.00 43.32 O ATOM 256 CB GLU A 16 -9.022 19.259 -10.058 1.00 13.35 C ATOM 257 CG GLU A 16 -9.460 20.712 -10.122 1.00 62.31 C ATOM 258 CD GLU A 16 -9.688 21.315 -8.750 1.00 2.34 C ATOM 259 OE1 GLU A 16 -9.571 20.575 -7.751 1.00 72.53 O ATOM 260 OE2 GLU A 16 -9.982 22.527 -8.675 1.00 14.23 O ATOM 0 H GLU A 16 -8.604 16.871 -9.479 1.00 24.43 H new ATOM 0 HA GLU A 16 -10.663 18.750 -8.765 1.00 22.34 H new ATOM 0 HB2 GLU A 16 -8.177 19.173 -9.375 1.00 13.35 H new ATOM 0 HB3 GLU A 16 -8.669 18.951 -11.042 1.00 13.35 H new ATOM 0 HG2 GLU A 16 -8.702 21.293 -10.648 1.00 62.31 H new ATOM 0 HG3 GLU A 16 -10.379 20.785 -10.704 1.00 62.31 H new ATOM 267 N TYR A 17 -11.214 16.835 -11.199 1.00 34.24 N ATOM 268 CA TYR A 17 -12.121 16.486 -12.286 1.00 3.21 C ATOM 269 C TYR A 17 -11.729 17.204 -13.574 1.00 63.52 C ATOM 270 O TYR A 17 -12.563 17.431 -14.450 1.00 30.34 O ATOM 271 CB TYR A 17 -13.561 16.839 -11.910 1.00 21.42 C ATOM 272 CG TYR A 17 -13.957 16.373 -10.527 1.00 23.24 C ATOM 273 CD1 TYR A 17 -14.161 15.025 -10.258 1.00 22.22 C ATOM 274 CD2 TYR A 17 -14.127 17.281 -9.489 1.00 54.02 C ATOM 275 CE1 TYR A 17 -14.524 14.596 -8.996 1.00 21.13 C ATOM 276 CE2 TYR A 17 -14.487 16.861 -8.224 1.00 50.43 C ATOM 277 CZ TYR A 17 -14.685 15.517 -7.982 1.00 22.22 C ATOM 278 OH TYR A 17 -15.045 15.093 -6.724 1.00 41.24 O ATOM 0 H TYR A 17 -10.673 16.051 -10.833 1.00 34.24 H new ATOM 0 HA TYR A 17 -12.050 15.411 -12.454 1.00 3.21 H new ATOM 0 HB2 TYR A 17 -13.689 17.920 -11.971 1.00 21.42 H new ATOM 0 HB3 TYR A 17 -14.238 16.396 -12.641 1.00 21.42 H new ATOM 0 HD1 TYR A 17 -14.034 14.301 -11.049 1.00 22.22 H new ATOM 0 HD2 TYR A 17 -13.975 18.334 -9.675 1.00 54.02 H new ATOM 0 HE1 TYR A 17 -14.681 13.545 -8.804 1.00 21.13 H new ATOM 0 HE2 TYR A 17 -14.613 17.580 -7.428 1.00 50.43 H new ATOM 0 HH TYR A 17 -15.115 15.866 -6.126 1.00 41.24 H new ATOM 288 N LEU A 18 -10.454 17.559 -13.680 1.00 50.01 N ATOM 289 CA LEU A 18 -9.949 18.252 -14.861 1.00 55.21 C ATOM 290 C LEU A 18 -9.283 17.273 -15.823 1.00 11.42 C ATOM 291 O LEU A 18 -9.316 16.061 -15.612 1.00 23.51 O ATOM 292 CB LEU A 18 -8.953 19.339 -14.452 1.00 71.45 C ATOM 293 CG LEU A 18 -7.732 18.868 -13.659 1.00 20.12 C ATOM 294 CD1 LEU A 18 -6.718 18.211 -14.582 1.00 2.31 C ATOM 295 CD2 LEU A 18 -7.100 20.033 -12.912 1.00 52.43 C ATOM 0 H LEU A 18 -9.751 17.379 -12.963 1.00 50.01 H new ATOM 0 HA LEU A 18 -10.795 18.715 -15.370 1.00 55.21 H new ATOM 0 HB2 LEU A 18 -8.604 19.841 -15.354 1.00 71.45 H new ATOM 0 HB3 LEU A 18 -9.482 20.083 -13.857 1.00 71.45 H new ATOM 0 HG LEU A 18 -8.060 18.129 -12.928 1.00 20.12 H new ATOM 0 HD11 LEU A 18 -5.856 17.882 -14.001 1.00 2.31 H new ATOM 0 HD12 LEU A 18 -7.175 17.351 -15.071 1.00 2.31 H new ATOM 0 HD13 LEU A 18 -6.395 18.928 -15.336 1.00 2.31 H new ATOM 0 HD21 LEU A 18 -6.233 19.680 -12.353 1.00 52.43 H new ATOM 0 HD22 LEU A 18 -6.786 20.795 -13.625 1.00 52.43 H new ATOM 0 HD23 LEU A 18 -7.827 20.460 -12.221 1.00 52.43 H new ATOM 307 N SER A 19 -8.677 17.808 -16.879 1.00 75.14 N ATOM 308 CA SER A 19 -8.005 16.982 -17.874 1.00 42.32 C ATOM 309 C SER A 19 -6.569 17.451 -18.089 1.00 72.22 C ATOM 310 O SER A 19 -6.217 18.581 -17.753 1.00 2.13 O ATOM 311 CB SER A 19 -8.769 17.020 -19.199 1.00 3.34 C ATOM 312 OG SER A 19 -8.759 15.752 -19.831 1.00 61.02 O ATOM 0 H SER A 19 -8.638 18.810 -17.067 1.00 75.14 H new ATOM 0 HA SER A 19 -7.983 15.957 -17.504 1.00 42.32 H new ATOM 0 HB2 SER A 19 -9.798 17.332 -19.020 1.00 3.34 H new ATOM 0 HB3 SER A 19 -8.321 17.762 -19.859 1.00 3.34 H new ATOM 0 HG SER A 19 -9.255 15.803 -20.675 1.00 61.02 H new ATOM 318 N ARG A 20 -5.744 16.572 -18.650 1.00 71.01 N ATOM 319 CA ARG A 20 -4.346 16.893 -18.908 1.00 24.20 C ATOM 320 C ARG A 20 -4.228 18.118 -19.811 1.00 73.30 C ATOM 321 O ARG A 20 -3.191 18.780 -19.841 1.00 23.14 O ATOM 322 CB ARG A 20 -3.637 15.701 -19.552 1.00 14.35 C ATOM 323 CG ARG A 20 -2.132 15.695 -19.333 1.00 64.12 C ATOM 324 CD ARG A 20 -1.483 14.469 -19.955 1.00 52.12 C ATOM 325 NE ARG A 20 -2.129 13.231 -19.527 1.00 31.03 N ATOM 326 CZ ARG A 20 -2.026 12.082 -20.186 1.00 33.21 C ATOM 327 NH1 ARG A 20 -1.306 12.014 -21.297 1.00 13.10 N ATOM 328 NH2 ARG A 20 -2.644 10.999 -19.733 1.00 51.12 N ATOM 0 H ARG A 20 -6.020 15.632 -18.934 1.00 71.01 H new ATOM 0 HA ARG A 20 -3.869 17.118 -17.954 1.00 24.20 H new ATOM 0 HB2 ARG A 20 -4.058 14.779 -19.151 1.00 14.35 H new ATOM 0 HB3 ARG A 20 -3.840 15.704 -20.623 1.00 14.35 H new ATOM 0 HG2 ARG A 20 -1.697 16.597 -19.764 1.00 64.12 H new ATOM 0 HG3 ARG A 20 -1.919 15.718 -18.264 1.00 64.12 H new ATOM 0 HD2 ARG A 20 -1.530 14.546 -21.041 1.00 52.12 H new ATOM 0 HD3 ARG A 20 -0.428 14.440 -19.683 1.00 52.12 H new ATOM 0 HE ARG A 20 -2.690 13.250 -18.675 1.00 31.03 H new ATOM 0 HH11 ARG A 20 -0.830 12.845 -21.648 1.00 13.10 H new ATOM 0 HH12 ARG A 20 -1.228 11.131 -21.801 1.00 13.10 H new ATOM 0 HH21 ARG A 20 -3.199 11.048 -18.878 1.00 51.12 H new ATOM 0 HH22 ARG A 20 -2.565 10.117 -20.239 1.00 51.12 H new ATOM 342 N GLN A 21 -5.296 18.410 -20.545 1.00 33.24 N ATOM 343 CA GLN A 21 -5.310 19.554 -21.450 1.00 62.13 C ATOM 344 C GLN A 21 -5.874 20.789 -20.756 1.00 32.54 C ATOM 345 O GLN A 21 -6.240 21.766 -21.409 1.00 15.25 O ATOM 346 CB GLN A 21 -6.136 19.233 -22.697 1.00 31.45 C ATOM 347 CG GLN A 21 -7.617 19.040 -22.413 1.00 12.41 C ATOM 348 CD GLN A 21 -8.500 19.857 -23.336 1.00 73.14 C ATOM 349 OE1 GLN A 21 -9.460 20.571 -22.759 1.00 3.42 O flip ATOM 350 NE2 GLN A 21 -8.321 19.847 -24.554 1.00 2.12 N flip ATOM 0 H GLN A 21 -6.162 17.871 -20.531 1.00 33.24 H new ATOM 0 HA GLN A 21 -4.283 19.764 -21.747 1.00 62.13 H new ATOM 0 HB2 GLN A 21 -6.015 20.040 -23.420 1.00 31.45 H new ATOM 0 HB3 GLN A 21 -5.742 18.328 -23.160 1.00 31.45 H new ATOM 0 HG2 GLN A 21 -7.868 17.984 -22.516 1.00 12.41 H new ATOM 0 HG3 GLN A 21 -7.824 19.317 -21.379 1.00 12.41 H new ATOM 0 HE21 GLN A 21 -7.571 19.284 -24.955 1.00 2.12 H new ATOM 0 HE22 GLN A 21 -8.923 20.402 -25.162 1.00 2.12 H new ATOM 359 N GLN A 22 -5.938 20.738 -19.430 1.00 51.23 N ATOM 360 CA GLN A 22 -6.458 21.855 -18.648 1.00 0.45 C ATOM 361 C GLN A 22 -5.481 22.249 -17.545 1.00 51.31 C ATOM 362 O GLN A 22 -5.169 23.427 -17.368 1.00 43.21 O ATOM 363 CB GLN A 22 -7.813 21.492 -18.039 1.00 11.44 C ATOM 364 CG GLN A 22 -8.640 20.559 -18.909 1.00 2.14 C ATOM 365 CD GLN A 22 -10.126 20.660 -18.624 1.00 62.24 C ATOM 366 OE1 GLN A 22 -10.483 20.681 -17.345 1.00 71.22 O flip ATOM 367 NE2 GLN A 22 -10.944 20.717 -19.543 1.00 62.52 N flip ATOM 0 H GLN A 22 -5.637 19.937 -18.875 1.00 51.23 H new ATOM 0 HA GLN A 22 -6.585 22.706 -19.317 1.00 0.45 H new ATOM 0 HB2 GLN A 22 -7.652 21.023 -17.068 1.00 11.44 H new ATOM 0 HB3 GLN A 22 -8.379 22.406 -17.861 1.00 11.44 H new ATOM 0 HG2 GLN A 22 -8.459 20.791 -19.958 1.00 2.14 H new ATOM 0 HG3 GLN A 22 -8.312 19.532 -18.748 1.00 2.14 H new ATOM 0 HE21 GLN A 22 -10.625 20.698 -20.512 1.00 62.52 H new ATOM 0 HE22 GLN A 22 -11.940 20.783 -19.335 1.00 62.52 H new ATOM 376 N LEU A 23 -5.001 21.256 -16.804 1.00 1.25 N ATOM 377 CA LEU A 23 -4.059 21.497 -15.717 1.00 22.42 C ATOM 378 C LEU A 23 -2.716 21.980 -16.258 1.00 63.10 C ATOM 379 O LEU A 23 -2.102 22.889 -15.700 1.00 73.44 O ATOM 380 CB LEU A 23 -3.862 20.224 -14.894 1.00 64.12 C ATOM 381 CG LEU A 23 -2.834 20.307 -13.764 1.00 63.23 C ATOM 382 CD1 LEU A 23 -1.435 20.032 -14.294 1.00 72.12 C ATOM 383 CD2 LEU A 23 -2.892 21.670 -13.089 1.00 24.14 C ATOM 0 H LEU A 23 -5.249 20.276 -16.937 1.00 1.25 H new ATOM 0 HA LEU A 23 -4.473 22.275 -15.076 1.00 22.42 H new ATOM 0 HB2 LEU A 23 -4.823 19.941 -14.464 1.00 64.12 H new ATOM 0 HB3 LEU A 23 -3.566 19.421 -15.569 1.00 64.12 H new ATOM 0 HG LEU A 23 -3.076 19.546 -13.022 1.00 63.23 H new ATOM 0 HD11 LEU A 23 -0.717 20.095 -13.476 1.00 72.12 H new ATOM 0 HD12 LEU A 23 -1.401 19.034 -14.730 1.00 72.12 H new ATOM 0 HD13 LEU A 23 -1.183 20.770 -15.056 1.00 72.12 H new ATOM 0 HD21 LEU A 23 -2.154 21.711 -12.288 1.00 24.14 H new ATOM 0 HD22 LEU A 23 -2.676 22.448 -13.821 1.00 24.14 H new ATOM 0 HD23 LEU A 23 -3.887 21.828 -12.674 1.00 24.14 H new ATOM 395 N ALA A 24 -2.268 21.366 -17.348 1.00 40.14 N ATOM 396 CA ALA A 24 -1.000 21.735 -17.967 1.00 33.11 C ATOM 397 C ALA A 24 -0.926 23.239 -18.209 1.00 23.23 C ATOM 398 O ALA A 24 0.156 23.826 -18.205 1.00 34.43 O ATOM 399 CB ALA A 24 -0.810 20.977 -19.272 1.00 43.12 C ATOM 0 H ALA A 24 -2.764 20.611 -17.821 1.00 40.14 H new ATOM 0 HA ALA A 24 -0.196 21.464 -17.283 1.00 33.11 H new ATOM 0 HB1 ALA A 24 0.140 21.262 -19.723 1.00 43.12 H new ATOM 0 HB2 ALA A 24 -0.810 19.905 -19.074 1.00 43.12 H new ATOM 0 HB3 ALA A 24 -1.624 21.220 -19.956 1.00 43.12 H new ATOM 405 N ASP A 25 -2.083 23.858 -18.422 1.00 0.02 N ATOM 406 CA ASP A 25 -2.148 25.294 -18.667 1.00 72.22 C ATOM 407 C ASP A 25 -2.323 26.060 -17.360 1.00 62.10 C ATOM 408 O ASP A 25 -1.821 27.175 -17.210 1.00 11.21 O ATOM 409 CB ASP A 25 -3.300 25.617 -19.621 1.00 75.11 C ATOM 410 CG ASP A 25 -2.822 26.269 -20.903 1.00 52.02 C ATOM 411 OD1 ASP A 25 -2.143 25.588 -21.699 1.00 73.30 O ATOM 412 OD2 ASP A 25 -3.129 27.462 -21.112 1.00 32.35 O ATOM 0 H ASP A 25 -2.988 23.387 -18.430 1.00 0.02 H new ATOM 0 HA ASP A 25 -1.209 25.604 -19.125 1.00 72.22 H new ATOM 0 HB2 ASP A 25 -3.837 24.700 -19.861 1.00 75.11 H new ATOM 0 HB3 ASP A 25 -4.007 26.279 -19.121 1.00 75.11 H new ATOM 417 N LEU A 26 -3.039 25.456 -16.417 1.00 11.45 N ATOM 418 CA LEU A 26 -3.282 26.082 -15.122 1.00 42.33 C ATOM 419 C LEU A 26 -1.968 26.434 -14.433 1.00 31.40 C ATOM 420 O LEU A 26 -1.917 27.324 -13.583 1.00 63.25 O ATOM 421 CB LEU A 26 -4.105 25.152 -14.231 1.00 5.25 C ATOM 422 CG LEU A 26 -5.535 25.602 -13.930 1.00 72.31 C ATOM 423 CD1 LEU A 26 -6.538 24.632 -14.535 1.00 51.25 C ATOM 424 CD2 LEU A 26 -5.750 25.727 -12.429 1.00 64.15 C ATOM 0 H LEU A 26 -3.461 24.534 -16.525 1.00 11.45 H new ATOM 0 HA LEU A 26 -3.841 27.003 -15.290 1.00 42.33 H new ATOM 0 HB2 LEU A 26 -4.146 24.171 -14.704 1.00 5.25 H new ATOM 0 HB3 LEU A 26 -3.578 25.028 -13.285 1.00 5.25 H new ATOM 0 HG LEU A 26 -5.690 26.582 -14.382 1.00 72.31 H new ATOM 0 HD11 LEU A 26 -7.550 24.968 -14.311 1.00 51.25 H new ATOM 0 HD12 LEU A 26 -6.400 24.593 -15.615 1.00 51.25 H new ATOM 0 HD13 LEU A 26 -6.384 23.639 -14.113 1.00 51.25 H new ATOM 0 HD21 LEU A 26 -6.773 26.048 -12.233 1.00 64.15 H new ATOM 0 HD22 LEU A 26 -5.576 24.761 -11.955 1.00 64.15 H new ATOM 0 HD23 LEU A 26 -5.055 26.461 -12.022 1.00 64.15 H new ATOM 436 N THR A 27 -0.902 25.732 -14.806 1.00 4.14 N ATOM 437 CA THR A 27 0.413 25.971 -14.226 1.00 54.35 C ATOM 438 C THR A 27 1.400 26.456 -15.281 1.00 0.33 C ATOM 439 O THR A 27 2.433 27.041 -14.956 1.00 41.53 O ATOM 440 CB THR A 27 0.973 24.698 -13.562 1.00 71.31 C ATOM 441 OG1 THR A 27 2.371 24.860 -13.293 1.00 70.12 O ATOM 442 CG2 THR A 27 0.760 23.484 -14.452 1.00 31.12 C ATOM 0 H THR A 27 -0.925 24.993 -15.508 1.00 4.14 H new ATOM 0 HA THR A 27 0.288 26.744 -13.467 1.00 54.35 H new ATOM 0 HB THR A 27 0.439 24.539 -12.625 1.00 71.31 H new ATOM 0 HG1 THR A 27 2.893 24.407 -13.988 1.00 70.12 H new ATOM 0 HG21 THR A 27 1.164 22.598 -13.962 1.00 31.12 H new ATOM 0 HG22 THR A 27 -0.306 23.346 -14.630 1.00 31.12 H new ATOM 0 HG23 THR A 27 1.270 23.636 -15.403 1.00 31.12 H new ATOM 450 N GLY A 28 1.075 26.212 -16.546 1.00 71.14 N ATOM 451 CA GLY A 28 1.944 26.632 -17.630 1.00 55.42 C ATOM 452 C GLY A 28 2.800 25.498 -18.159 1.00 63.01 C ATOM 453 O GLY A 28 3.478 25.646 -19.176 1.00 24.43 O ATOM 0 H GLY A 28 0.225 25.731 -16.840 1.00 71.14 H new ATOM 0 HA2 GLY A 28 1.338 27.035 -18.442 1.00 55.42 H new ATOM 0 HA3 GLY A 28 2.589 27.439 -17.283 1.00 55.42 H new ATOM 457 N VAL A 29 2.771 24.364 -17.468 1.00 50.12 N ATOM 458 CA VAL A 29 3.551 23.201 -17.873 1.00 54.03 C ATOM 459 C VAL A 29 3.195 22.767 -19.290 1.00 24.12 C ATOM 460 O VAL A 29 2.028 22.743 -19.684 1.00 11.23 O ATOM 461 CB VAL A 29 3.331 22.016 -16.914 1.00 3.24 C ATOM 462 CG1 VAL A 29 3.422 20.697 -17.667 1.00 14.34 C ATOM 463 CG2 VAL A 29 4.336 22.059 -15.774 1.00 50.23 C ATOM 0 H VAL A 29 2.215 24.225 -16.624 1.00 50.12 H new ATOM 0 HA VAL A 29 4.600 23.496 -17.839 1.00 54.03 H new ATOM 0 HB VAL A 29 2.331 22.096 -16.488 1.00 3.24 H new ATOM 0 HG11 VAL A 29 3.264 19.871 -16.974 1.00 14.34 H new ATOM 0 HG12 VAL A 29 2.659 20.669 -18.445 1.00 14.34 H new ATOM 0 HG13 VAL A 29 4.408 20.605 -18.122 1.00 14.34 H new ATOM 0 HG21 VAL A 29 4.165 21.214 -15.107 1.00 50.23 H new ATOM 0 HG22 VAL A 29 5.347 22.004 -16.178 1.00 50.23 H new ATOM 0 HG23 VAL A 29 4.217 22.990 -15.219 1.00 50.23 H new ATOM 473 N PRO A 30 4.222 22.415 -20.077 1.00 5.34 N ATOM 474 CA PRO A 30 4.041 21.974 -21.464 1.00 54.13 C ATOM 475 C PRO A 30 3.375 20.606 -21.556 1.00 3.43 C ATOM 476 O PRO A 30 3.921 19.606 -21.089 1.00 5.21 O ATOM 477 CB PRO A 30 5.473 21.909 -22.004 1.00 44.23 C ATOM 478 CG PRO A 30 6.322 21.694 -20.799 1.00 71.13 C ATOM 479 CD PRO A 30 5.638 22.419 -19.674 1.00 14.15 C ATOM 0 HA PRO A 30 3.389 22.645 -22.023 1.00 54.13 H new ATOM 0 HB2 PRO A 30 5.589 21.096 -22.721 1.00 44.23 H new ATOM 0 HB3 PRO A 30 5.744 22.830 -22.520 1.00 44.23 H new ATOM 0 HG2 PRO A 30 6.420 20.632 -20.576 1.00 71.13 H new ATOM 0 HG3 PRO A 30 7.329 22.081 -20.957 1.00 71.13 H new ATOM 0 HD2 PRO A 30 5.786 21.912 -18.720 1.00 14.15 H new ATOM 0 HD3 PRO A 30 6.020 23.433 -19.558 1.00 14.15 H new ATOM 487 N TYR A 31 2.193 20.569 -22.159 1.00 25.44 N ATOM 488 CA TYR A 31 1.450 19.323 -22.310 1.00 32.30 C ATOM 489 C TYR A 31 2.316 18.249 -22.963 1.00 14.22 C ATOM 490 O TYR A 31 2.204 17.066 -22.644 1.00 34.33 O ATOM 491 CB TYR A 31 0.190 19.554 -23.144 1.00 63.02 C ATOM 492 CG TYR A 31 -0.706 18.338 -23.237 1.00 1.51 C ATOM 493 CD1 TYR A 31 -0.371 17.265 -24.053 1.00 32.10 C ATOM 494 CD2 TYR A 31 -1.886 18.264 -22.508 1.00 12.33 C ATOM 495 CE1 TYR A 31 -1.186 16.154 -24.141 1.00 35.12 C ATOM 496 CE2 TYR A 31 -2.707 17.156 -22.590 1.00 62.12 C ATOM 497 CZ TYR A 31 -2.353 16.103 -23.407 1.00 32.41 C ATOM 498 OH TYR A 31 -3.168 14.998 -23.492 1.00 11.03 O ATOM 0 H TYR A 31 1.728 21.387 -22.552 1.00 25.44 H new ATOM 0 HA TYR A 31 1.162 18.978 -21.317 1.00 32.30 H new ATOM 0 HB2 TYR A 31 -0.376 20.379 -22.712 1.00 63.02 H new ATOM 0 HB3 TYR A 31 0.481 19.859 -24.149 1.00 63.02 H new ATOM 0 HD1 TYR A 31 0.542 17.300 -24.628 1.00 32.10 H new ATOM 0 HD2 TYR A 31 -2.166 19.086 -21.866 1.00 12.33 H new ATOM 0 HE1 TYR A 31 -0.911 15.329 -24.781 1.00 35.12 H new ATOM 0 HE2 TYR A 31 -3.622 17.115 -22.017 1.00 62.12 H new ATOM 0 HH TYR A 31 -3.948 15.121 -22.912 1.00 11.03 H new ATOM 508 N GLY A 32 3.180 18.671 -23.881 1.00 2.44 N ATOM 509 CA GLY A 32 4.052 17.735 -24.565 1.00 73.33 C ATOM 510 C GLY A 32 4.919 16.944 -23.606 1.00 15.40 C ATOM 511 O GLY A 32 5.274 15.797 -23.880 1.00 5.33 O ATOM 0 H GLY A 32 3.291 19.645 -24.163 1.00 2.44 H new ATOM 0 HA2 GLY A 32 3.448 17.047 -25.157 1.00 73.33 H new ATOM 0 HA3 GLY A 32 4.689 18.279 -25.262 1.00 73.33 H new ATOM 515 N THR A 33 5.264 17.558 -22.478 1.00 2.10 N ATOM 516 CA THR A 33 6.097 16.905 -21.477 1.00 33.22 C ATOM 517 C THR A 33 5.257 16.391 -20.313 1.00 41.20 C ATOM 518 O THR A 33 5.585 15.375 -19.698 1.00 25.30 O ATOM 519 CB THR A 33 7.176 17.861 -20.934 1.00 51.23 C ATOM 520 OG1 THR A 33 7.583 18.773 -21.960 1.00 63.51 O ATOM 521 CG2 THR A 33 8.384 17.084 -20.432 1.00 43.02 C ATOM 0 H THR A 33 4.979 18.507 -22.236 1.00 2.10 H new ATOM 0 HA THR A 33 6.583 16.063 -21.970 1.00 33.22 H new ATOM 0 HB THR A 33 6.750 18.419 -20.100 1.00 51.23 H new ATOM 0 HG1 THR A 33 8.268 19.379 -21.607 1.00 63.51 H new ATOM 0 HG21 THR A 33 9.133 17.780 -20.053 1.00 43.02 H new ATOM 0 HG22 THR A 33 8.077 16.411 -19.632 1.00 43.02 H new ATOM 0 HG23 THR A 33 8.809 16.504 -21.251 1.00 43.02 H new ATOM 529 N LEU A 34 4.174 17.099 -20.014 1.00 24.43 N ATOM 530 CA LEU A 34 3.285 16.714 -18.924 1.00 43.23 C ATOM 531 C LEU A 34 2.877 15.249 -19.045 1.00 50.10 C ATOM 532 O LEU A 34 2.829 14.523 -18.051 1.00 64.13 O ATOM 533 CB LEU A 34 2.040 17.602 -18.915 1.00 34.41 C ATOM 534 CG LEU A 34 0.981 17.265 -17.864 1.00 14.43 C ATOM 535 CD1 LEU A 34 1.499 17.575 -16.468 1.00 3.32 C ATOM 536 CD2 LEU A 34 -0.306 18.029 -18.140 1.00 12.32 C ATOM 0 H LEU A 34 3.890 17.943 -20.511 1.00 24.43 H new ATOM 0 HA LEU A 34 3.824 16.846 -17.986 1.00 43.23 H new ATOM 0 HB2 LEU A 34 2.356 18.634 -18.765 1.00 34.41 H new ATOM 0 HB3 LEU A 34 1.575 17.551 -19.899 1.00 34.41 H new ATOM 0 HG LEU A 34 0.765 16.198 -17.921 1.00 14.43 H new ATOM 0 HD11 LEU A 34 0.733 17.329 -15.733 1.00 3.32 H new ATOM 0 HD12 LEU A 34 2.393 16.983 -16.272 1.00 3.32 H new ATOM 0 HD13 LEU A 34 1.743 18.635 -16.397 1.00 3.32 H new ATOM 0 HD21 LEU A 34 -1.048 17.777 -17.383 1.00 12.32 H new ATOM 0 HD22 LEU A 34 -0.107 19.100 -18.111 1.00 12.32 H new ATOM 0 HD23 LEU A 34 -0.686 17.758 -19.125 1.00 12.32 H new ATOM 548 N SER A 35 2.586 14.819 -20.269 1.00 63.13 N ATOM 549 CA SER A 35 2.182 13.442 -20.519 1.00 73.31 C ATOM 550 C SER A 35 3.183 12.463 -19.914 1.00 51.22 C ATOM 551 O SER A 35 2.809 11.390 -19.438 1.00 50.40 O ATOM 552 CB SER A 35 2.052 13.191 -22.023 1.00 42.24 C ATOM 553 OG SER A 35 2.111 11.806 -22.317 1.00 24.01 O ATOM 0 H SER A 35 2.623 15.406 -21.103 1.00 63.13 H new ATOM 0 HA SER A 35 1.213 13.283 -20.046 1.00 73.31 H new ATOM 0 HB2 SER A 35 1.109 13.602 -22.383 1.00 42.24 H new ATOM 0 HB3 SER A 35 2.850 13.712 -22.552 1.00 42.24 H new ATOM 0 HG SER A 35 2.024 11.673 -23.284 1.00 24.01 H new ATOM 559 N TYR A 36 4.456 12.840 -19.936 1.00 24.31 N ATOM 560 CA TYR A 36 5.513 11.995 -19.393 1.00 24.32 C ATOM 561 C TYR A 36 5.722 12.271 -17.907 1.00 10.31 C ATOM 562 O TYR A 36 6.267 11.441 -17.179 1.00 72.52 O ATOM 563 CB TYR A 36 6.821 12.223 -20.154 1.00 60.32 C ATOM 564 CG TYR A 36 6.647 12.268 -21.655 1.00 21.33 C ATOM 565 CD1 TYR A 36 5.943 11.272 -22.322 1.00 33.34 C ATOM 566 CD2 TYR A 36 7.187 13.304 -22.406 1.00 21.51 C ATOM 567 CE1 TYR A 36 5.784 11.309 -23.694 1.00 14.13 C ATOM 568 CE2 TYR A 36 7.031 13.350 -23.777 1.00 11.33 C ATOM 569 CZ TYR A 36 6.328 12.349 -24.417 1.00 3.04 C ATOM 570 OH TYR A 36 6.171 12.390 -25.784 1.00 45.51 O ATOM 0 H TYR A 36 4.781 13.725 -20.324 1.00 24.31 H new ATOM 0 HA TYR A 36 5.208 10.955 -19.512 1.00 24.32 H new ATOM 0 HB2 TYR A 36 7.268 13.160 -19.820 1.00 60.32 H new ATOM 0 HB3 TYR A 36 7.522 11.428 -19.901 1.00 60.32 H new ATOM 0 HD1 TYR A 36 5.514 10.457 -21.759 1.00 33.34 H new ATOM 0 HD2 TYR A 36 7.739 14.088 -21.909 1.00 21.51 H new ATOM 0 HE1 TYR A 36 5.236 10.527 -24.198 1.00 14.13 H new ATOM 0 HE2 TYR A 36 7.456 14.164 -24.345 1.00 11.33 H new ATOM 0 HH TYR A 36 6.614 13.188 -26.140 1.00 45.51 H new ATOM 580 N TYR A 37 5.283 13.444 -17.463 1.00 54.21 N ATOM 581 CA TYR A 37 5.422 13.833 -16.065 1.00 5.01 C ATOM 582 C TYR A 37 4.553 12.959 -15.167 1.00 44.23 C ATOM 583 O TYR A 37 5.056 12.247 -14.300 1.00 51.30 O ATOM 584 CB TYR A 37 5.046 15.304 -15.883 1.00 11.33 C ATOM 585 CG TYR A 37 6.192 16.259 -16.135 1.00 63.44 C ATOM 586 CD1 TYR A 37 7.214 15.930 -17.017 1.00 74.01 C ATOM 587 CD2 TYR A 37 6.252 17.488 -15.492 1.00 44.14 C ATOM 588 CE1 TYR A 37 8.263 16.799 -17.249 1.00 44.51 C ATOM 589 CE2 TYR A 37 7.296 18.364 -15.719 1.00 1.34 C ATOM 590 CZ TYR A 37 8.299 18.014 -16.599 1.00 71.32 C ATOM 591 OH TYR A 37 9.342 18.882 -16.829 1.00 40.12 O ATOM 0 H TYR A 37 4.828 14.142 -18.052 1.00 54.21 H new ATOM 0 HA TYR A 37 6.464 13.693 -15.778 1.00 5.01 H new ATOM 0 HB2 TYR A 37 4.226 15.547 -16.559 1.00 11.33 H new ATOM 0 HB3 TYR A 37 4.677 15.453 -14.868 1.00 11.33 H new ATOM 0 HD1 TYR A 37 7.188 14.980 -17.530 1.00 74.01 H new ATOM 0 HD2 TYR A 37 5.468 17.764 -14.802 1.00 44.14 H new ATOM 0 HE1 TYR A 37 9.051 16.528 -17.936 1.00 44.51 H new ATOM 0 HE2 TYR A 37 7.327 19.316 -15.211 1.00 1.34 H new ATOM 0 HH TYR A 37 9.216 19.693 -16.294 1.00 40.12 H new ATOM 601 N GLU A 38 3.242 13.020 -15.383 1.00 3.11 N ATOM 602 CA GLU A 38 2.300 12.235 -14.593 1.00 5.14 C ATOM 603 C GLU A 38 2.606 10.744 -14.707 1.00 64.14 C ATOM 604 O GLU A 38 2.245 9.957 -13.833 1.00 41.42 O ATOM 605 CB GLU A 38 0.866 12.508 -15.049 1.00 45.31 C ATOM 606 CG GLU A 38 0.498 13.983 -15.048 1.00 24.31 C ATOM 607 CD GLU A 38 -0.387 14.363 -13.876 1.00 34.22 C ATOM 608 OE1 GLU A 38 -1.237 13.537 -13.484 1.00 33.41 O ATOM 609 OE2 GLU A 38 -0.228 15.485 -13.352 1.00 25.54 O ATOM 0 H GLU A 38 2.809 13.604 -16.098 1.00 3.11 H new ATOM 0 HA GLU A 38 2.404 12.532 -13.549 1.00 5.14 H new ATOM 0 HB2 GLU A 38 0.731 12.109 -16.054 1.00 45.31 H new ATOM 0 HB3 GLU A 38 0.178 11.970 -14.397 1.00 45.31 H new ATOM 0 HG2 GLU A 38 1.409 14.581 -15.019 1.00 24.31 H new ATOM 0 HG3 GLU A 38 -0.014 14.227 -15.979 1.00 24.31 H new ATOM 616 N SER A 39 3.274 10.364 -15.792 1.00 60.13 N ATOM 617 CA SER A 39 3.626 8.968 -16.024 1.00 34.13 C ATOM 618 C SER A 39 4.911 8.602 -15.288 1.00 11.41 C ATOM 619 O SER A 39 5.235 7.426 -15.130 1.00 14.05 O ATOM 620 CB SER A 39 3.788 8.702 -17.522 1.00 51.23 C ATOM 621 OG SER A 39 2.565 8.904 -18.211 1.00 13.01 O ATOM 0 H SER A 39 3.582 11.004 -16.524 1.00 60.13 H new ATOM 0 HA SER A 39 2.818 8.347 -15.638 1.00 34.13 H new ATOM 0 HB2 SER A 39 4.553 9.362 -17.931 1.00 51.23 H new ATOM 0 HB3 SER A 39 4.132 7.680 -17.678 1.00 51.23 H new ATOM 0 HG SER A 39 2.586 9.771 -18.667 1.00 13.01 H new ATOM 627 N GLY A 40 5.641 9.620 -14.842 1.00 14.52 N ATOM 628 CA GLY A 40 6.884 9.386 -14.129 1.00 24.23 C ATOM 629 C GLY A 40 8.009 8.962 -15.052 1.00 45.11 C ATOM 630 O GLY A 40 9.021 8.425 -14.600 1.00 74.53 O ATOM 0 H GLY A 40 5.394 10.602 -14.962 1.00 14.52 H new ATOM 0 HA2 GLY A 40 7.174 10.295 -13.601 1.00 24.23 H new ATOM 0 HA3 GLY A 40 6.727 8.615 -13.374 1.00 24.23 H new ATOM 634 N ARG A 41 7.833 9.201 -16.347 1.00 4.24 N ATOM 635 CA ARG A 41 8.842 8.838 -17.335 1.00 13.35 C ATOM 636 C ARG A 41 10.195 9.445 -16.979 1.00 52.13 C ATOM 637 O ARG A 41 11.232 8.794 -17.104 1.00 61.34 O ATOM 638 CB ARG A 41 8.413 9.301 -18.728 1.00 40.30 C ATOM 639 CG ARG A 41 8.922 8.410 -19.850 1.00 52.51 C ATOM 640 CD ARG A 41 7.827 7.496 -20.376 1.00 42.11 C ATOM 641 NE ARG A 41 8.167 6.928 -21.677 1.00 62.55 N ATOM 642 CZ ARG A 41 8.994 5.901 -21.837 1.00 34.51 C ATOM 643 NH1 ARG A 41 9.563 5.334 -20.783 1.00 62.54 N ATOM 644 NH2 ARG A 41 9.254 5.440 -23.054 1.00 43.33 N ATOM 0 H ARG A 41 7.001 9.644 -16.737 1.00 4.24 H new ATOM 0 HA ARG A 41 8.940 7.752 -17.335 1.00 13.35 H new ATOM 0 HB2 ARG A 41 7.324 9.338 -18.770 1.00 40.30 H new ATOM 0 HB3 ARG A 41 8.773 10.317 -18.891 1.00 40.30 H new ATOM 0 HG2 ARG A 41 9.303 9.028 -20.663 1.00 52.51 H new ATOM 0 HG3 ARG A 41 9.757 7.809 -19.489 1.00 52.51 H new ATOM 0 HD2 ARG A 41 7.654 6.690 -19.663 1.00 42.11 H new ATOM 0 HD3 ARG A 41 6.895 8.056 -20.457 1.00 42.11 H new ATOM 0 HE ARG A 41 7.746 7.342 -22.509 1.00 62.55 H new ATOM 0 HH11 ARG A 41 9.366 5.686 -19.846 1.00 62.54 H new ATOM 0 HH12 ARG A 41 10.198 4.545 -20.909 1.00 62.54 H new ATOM 0 HH21 ARG A 41 8.819 5.874 -23.868 1.00 43.33 H new ATOM 0 HH22 ARG A 41 9.889 4.651 -23.176 1.00 43.33 H new ATOM 658 N SER A 42 10.178 10.699 -16.536 1.00 70.41 N ATOM 659 CA SER A 42 11.403 11.396 -16.166 1.00 61.23 C ATOM 660 C SER A 42 11.161 12.330 -14.985 1.00 5.23 C ATOM 661 O SER A 42 10.344 13.248 -15.060 1.00 13.14 O ATOM 662 CB SER A 42 11.942 12.191 -17.358 1.00 24.10 C ATOM 663 OG SER A 42 13.343 12.375 -17.257 1.00 12.30 O ATOM 0 H SER A 42 9.328 11.252 -16.425 1.00 70.41 H new ATOM 0 HA SER A 42 12.142 10.650 -15.871 1.00 61.23 H new ATOM 0 HB2 SER A 42 11.707 11.667 -18.285 1.00 24.10 H new ATOM 0 HB3 SER A 42 11.447 13.161 -17.406 1.00 24.10 H new ATOM 0 HG SER A 42 13.663 12.884 -18.031 1.00 12.30 H new ATOM 669 N THR A 43 11.879 12.090 -13.892 1.00 12.02 N ATOM 670 CA THR A 43 11.743 12.907 -12.692 1.00 14.23 C ATOM 671 C THR A 43 11.971 14.382 -13.004 1.00 53.01 C ATOM 672 O THR A 43 13.083 14.812 -13.311 1.00 0.33 O ATOM 673 CB THR A 43 12.733 12.466 -11.597 1.00 21.52 C ATOM 674 OG1 THR A 43 13.321 11.209 -11.946 1.00 2.04 O ATOM 675 CG2 THR A 43 12.033 12.349 -10.252 1.00 51.25 C ATOM 0 H THR A 43 12.561 11.336 -13.813 1.00 12.02 H new ATOM 0 HA THR A 43 10.725 12.768 -12.328 1.00 14.23 H new ATOM 0 HB THR A 43 13.514 13.222 -11.518 1.00 21.52 H new ATOM 0 HG1 THR A 43 13.950 10.937 -11.246 1.00 2.04 H new ATOM 0 HG21 THR A 43 12.751 12.036 -9.494 1.00 51.25 H new ATOM 0 HG22 THR A 43 11.612 13.316 -9.976 1.00 51.25 H new ATOM 0 HG23 THR A 43 11.234 11.611 -10.321 1.00 51.25 H new ATOM 683 N PRO A 44 10.894 15.177 -12.923 1.00 21.02 N ATOM 684 CA PRO A 44 10.952 16.617 -13.191 1.00 52.42 C ATOM 685 C PRO A 44 11.717 17.377 -12.113 1.00 70.25 C ATOM 686 O PRO A 44 11.993 16.858 -11.031 1.00 3.54 O ATOM 687 CB PRO A 44 9.480 17.036 -13.199 1.00 71.00 C ATOM 688 CG PRO A 44 8.793 16.022 -12.351 1.00 72.24 C ATOM 689 CD PRO A 44 9.537 14.733 -12.563 1.00 61.30 C ATOM 0 HA PRO A 44 11.477 16.838 -14.120 1.00 52.42 H new ATOM 0 HB2 PRO A 44 9.352 18.041 -12.796 1.00 71.00 H new ATOM 0 HB3 PRO A 44 9.076 17.044 -14.211 1.00 71.00 H new ATOM 0 HG2 PRO A 44 8.811 16.315 -11.301 1.00 72.24 H new ATOM 0 HG3 PRO A 44 7.746 15.920 -12.636 1.00 72.24 H new ATOM 0 HD2 PRO A 44 9.541 14.119 -11.663 1.00 61.30 H new ATOM 0 HD3 PRO A 44 9.087 14.135 -13.355 1.00 61.30 H new ATOM 697 N PRO A 45 12.067 18.637 -12.411 1.00 71.15 N ATOM 698 CA PRO A 45 12.804 19.496 -11.479 1.00 45.31 C ATOM 699 C PRO A 45 11.957 19.912 -10.281 1.00 45.42 C ATOM 700 O PRO A 45 10.802 19.505 -10.152 1.00 14.40 O ATOM 701 CB PRO A 45 13.164 20.716 -12.331 1.00 13.01 C ATOM 702 CG PRO A 45 12.124 20.754 -13.397 1.00 51.14 C ATOM 703 CD PRO A 45 11.771 19.320 -13.682 1.00 25.43 C ATOM 0 HA PRO A 45 13.668 18.988 -11.052 1.00 45.31 H new ATOM 0 HB2 PRO A 45 13.156 21.630 -11.737 1.00 13.01 H new ATOM 0 HB3 PRO A 45 14.163 20.621 -12.756 1.00 13.01 H new ATOM 0 HG2 PRO A 45 11.248 21.314 -13.068 1.00 51.14 H new ATOM 0 HG3 PRO A 45 12.501 21.249 -14.292 1.00 51.14 H new ATOM 0 HD2 PRO A 45 10.723 19.212 -13.962 1.00 25.43 H new ATOM 0 HD3 PRO A 45 12.363 18.916 -14.503 1.00 25.43 H new ATOM 711 N THR A 46 12.538 20.727 -9.407 1.00 13.11 N ATOM 712 CA THR A 46 11.837 21.198 -8.219 1.00 31.11 C ATOM 713 C THR A 46 11.033 22.458 -8.518 1.00 24.32 C ATOM 714 O THR A 46 9.931 22.641 -8.000 1.00 10.01 O ATOM 715 CB THR A 46 12.817 21.491 -7.067 1.00 23.32 C ATOM 716 OG1 THR A 46 13.538 20.302 -6.724 1.00 51.14 O ATOM 717 CG2 THR A 46 12.076 22.011 -5.844 1.00 20.13 C ATOM 0 H THR A 46 13.492 21.075 -9.499 1.00 13.11 H new ATOM 0 HA THR A 46 11.159 20.400 -7.916 1.00 31.11 H new ATOM 0 HB THR A 46 13.517 22.257 -7.401 1.00 23.32 H new ATOM 0 HG1 THR A 46 14.160 20.496 -5.992 1.00 51.14 H new ATOM 0 HG21 THR A 46 12.789 22.211 -5.044 1.00 20.13 H new ATOM 0 HG22 THR A 46 11.551 22.931 -6.101 1.00 20.13 H new ATOM 0 HG23 THR A 46 11.356 21.264 -5.510 1.00 20.13 H new ATOM 725 N ASP A 47 11.589 23.323 -9.359 1.00 42.22 N ATOM 726 CA ASP A 47 10.921 24.565 -9.730 1.00 11.00 C ATOM 727 C ASP A 47 9.556 24.285 -10.348 1.00 64.31 C ATOM 728 O ASP A 47 8.617 25.067 -10.188 1.00 65.11 O ATOM 729 CB ASP A 47 11.786 25.361 -10.710 1.00 53.22 C ATOM 730 CG ASP A 47 11.759 26.850 -10.428 1.00 65.03 C ATOM 731 OD1 ASP A 47 10.830 27.306 -9.728 1.00 21.44 O ATOM 732 OD2 ASP A 47 12.669 27.560 -10.906 1.00 61.13 O ATOM 0 H ASP A 47 12.500 23.187 -9.797 1.00 42.22 H new ATOM 0 HA ASP A 47 10.775 25.154 -8.825 1.00 11.00 H new ATOM 0 HB2 ASP A 47 12.814 25.003 -10.657 1.00 53.22 H new ATOM 0 HB3 ASP A 47 11.438 25.180 -11.727 1.00 53.22 H new ATOM 737 N VAL A 48 9.450 23.165 -11.056 1.00 60.11 N ATOM 738 CA VAL A 48 8.199 22.781 -11.699 1.00 45.24 C ATOM 739 C VAL A 48 7.302 22.010 -10.738 1.00 11.34 C ATOM 740 O VAL A 48 6.114 22.306 -10.609 1.00 1.53 O ATOM 741 CB VAL A 48 8.452 21.921 -12.950 1.00 14.52 C ATOM 742 CG1 VAL A 48 7.135 21.475 -13.567 1.00 74.34 C ATOM 743 CG2 VAL A 48 9.292 22.686 -13.962 1.00 62.30 C ATOM 0 H VAL A 48 10.216 22.507 -11.199 1.00 60.11 H new ATOM 0 HA VAL A 48 7.700 23.703 -11.997 1.00 45.24 H new ATOM 0 HB VAL A 48 9.006 21.031 -12.651 1.00 14.52 H new ATOM 0 HG11 VAL A 48 7.334 20.868 -14.450 1.00 74.34 H new ATOM 0 HG12 VAL A 48 6.574 20.886 -12.841 1.00 74.34 H new ATOM 0 HG13 VAL A 48 6.552 22.351 -13.852 1.00 74.34 H new ATOM 0 HG21 VAL A 48 9.461 22.063 -14.840 1.00 62.30 H new ATOM 0 HG22 VAL A 48 8.767 23.595 -14.258 1.00 62.30 H new ATOM 0 HG23 VAL A 48 10.250 22.950 -13.514 1.00 62.30 H new ATOM 753 N MET A 49 7.878 21.020 -10.065 1.00 23.51 N ATOM 754 CA MET A 49 7.130 20.206 -9.113 1.00 32.02 C ATOM 755 C MET A 49 6.461 21.082 -8.058 1.00 43.12 C ATOM 756 O MET A 49 5.472 20.683 -7.444 1.00 54.11 O ATOM 757 CB MET A 49 8.055 19.192 -8.438 1.00 51.33 C ATOM 758 CG MET A 49 8.709 19.715 -7.170 1.00 21.11 C ATOM 759 SD MET A 49 7.799 19.260 -5.681 1.00 71.53 S ATOM 760 CE MET A 49 7.778 20.823 -4.807 1.00 52.32 C ATOM 0 H MET A 49 8.860 20.762 -10.161 1.00 23.51 H new ATOM 0 HA MET A 49 6.355 19.670 -9.661 1.00 32.02 H new ATOM 0 HB2 MET A 49 7.484 18.295 -8.199 1.00 51.33 H new ATOM 0 HB3 MET A 49 8.832 18.897 -9.143 1.00 51.33 H new ATOM 0 HG2 MET A 49 9.725 19.327 -7.103 1.00 21.11 H new ATOM 0 HG3 MET A 49 8.786 20.801 -7.227 1.00 21.11 H new ATOM 0 HE1 MET A 49 7.814 20.640 -3.733 1.00 52.32 H new ATOM 0 HE2 MET A 49 8.643 21.417 -5.103 1.00 52.32 H new ATOM 0 HE3 MET A 49 6.865 21.365 -5.052 1.00 52.32 H new ATOM 770 N MET A 50 7.007 22.275 -7.852 1.00 13.33 N ATOM 771 CA MET A 50 6.462 23.207 -6.871 1.00 63.34 C ATOM 772 C MET A 50 5.454 24.150 -7.519 1.00 13.15 C ATOM 773 O MET A 50 4.606 24.728 -6.840 1.00 31.51 O ATOM 774 CB MET A 50 7.587 24.013 -6.220 1.00 63.11 C ATOM 775 CG MET A 50 8.235 25.019 -7.159 1.00 51.43 C ATOM 776 SD MET A 50 8.237 26.693 -6.487 1.00 41.12 S ATOM 777 CE MET A 50 8.922 26.403 -4.858 1.00 52.14 C ATOM 0 H MET A 50 7.827 22.620 -8.351 1.00 13.33 H new ATOM 0 HA MET A 50 5.950 22.628 -6.103 1.00 63.34 H new ATOM 0 HB2 MET A 50 7.190 24.541 -5.353 1.00 63.11 H new ATOM 0 HB3 MET A 50 8.350 23.326 -5.854 1.00 63.11 H new ATOM 0 HG2 MET A 50 9.261 24.712 -7.363 1.00 51.43 H new ATOM 0 HG3 MET A 50 7.706 25.014 -8.112 1.00 51.43 H new ATOM 0 HE1 MET A 50 8.219 26.750 -4.101 1.00 52.14 H new ATOM 0 HE2 MET A 50 9.103 25.336 -4.724 1.00 52.14 H new ATOM 0 HE3 MET A 50 9.862 26.946 -4.757 1.00 52.14 H new ATOM 787 N ASN A 51 5.553 24.300 -8.836 1.00 65.21 N ATOM 788 CA ASN A 51 4.649 25.175 -9.575 1.00 34.45 C ATOM 789 C ASN A 51 3.296 24.504 -9.790 1.00 20.22 C ATOM 790 O ASN A 51 2.315 25.159 -10.140 1.00 30.14 O ATOM 791 CB ASN A 51 5.263 25.554 -10.925 1.00 31.11 C ATOM 792 CG ASN A 51 5.916 26.923 -10.898 1.00 2.32 C ATOM 793 OD1 ASN A 51 5.337 27.890 -10.402 1.00 22.00 O ATOM 794 ND2 ASN A 51 7.127 27.012 -11.435 1.00 22.11 N ATOM 0 H ASN A 51 6.249 23.828 -9.413 1.00 65.21 H new ATOM 0 HA ASN A 51 4.496 26.079 -8.986 1.00 34.45 H new ATOM 0 HB2 ASN A 51 6.004 24.806 -11.207 1.00 31.11 H new ATOM 0 HB3 ASN A 51 4.488 25.539 -11.691 1.00 31.11 H new ATOM 0 HD21 ASN A 51 7.615 27.908 -11.447 1.00 22.11 H new ATOM 0 HD22 ASN A 51 7.570 26.185 -11.835 1.00 22.11 H new ATOM 801 N ILE A 52 3.254 23.192 -9.580 1.00 3.55 N ATOM 802 CA ILE A 52 2.022 22.432 -9.749 1.00 73.42 C ATOM 803 C ILE A 52 1.238 22.357 -8.443 1.00 71.13 C ATOM 804 O ILE A 52 0.007 22.323 -8.445 1.00 32.44 O ATOM 805 CB ILE A 52 2.306 21.002 -10.247 1.00 62.11 C ATOM 806 CG1 ILE A 52 3.266 21.035 -11.438 1.00 74.14 C ATOM 807 CG2 ILE A 52 1.007 20.305 -10.626 1.00 33.12 C ATOM 808 CD1 ILE A 52 3.004 22.179 -12.393 1.00 62.23 C ATOM 0 H ILE A 52 4.058 22.634 -9.293 1.00 3.55 H new ATOM 0 HA ILE A 52 1.428 22.957 -10.497 1.00 73.42 H new ATOM 0 HB ILE A 52 2.776 20.439 -9.441 1.00 62.11 H new ATOM 0 HG12 ILE A 52 4.289 21.108 -11.068 1.00 74.14 H new ATOM 0 HG13 ILE A 52 3.190 20.093 -11.982 1.00 74.14 H new ATOM 0 HG21 ILE A 52 1.224 19.296 -10.976 1.00 33.12 H new ATOM 0 HG22 ILE A 52 0.354 20.254 -9.755 1.00 33.12 H new ATOM 0 HG23 ILE A 52 0.511 20.865 -11.419 1.00 33.12 H new ATOM 0 HD11 ILE A 52 3.721 22.140 -13.213 1.00 62.23 H new ATOM 0 HD12 ILE A 52 1.993 22.096 -12.792 1.00 62.23 H new ATOM 0 HD13 ILE A 52 3.109 23.126 -11.864 1.00 62.23 H new ATOM 820 N LEU A 53 1.959 22.332 -7.328 1.00 51.45 N ATOM 821 CA LEU A 53 1.333 22.263 -6.012 1.00 74.54 C ATOM 822 C LEU A 53 0.971 23.655 -5.507 1.00 34.01 C ATOM 823 O LEU A 53 0.018 23.822 -4.748 1.00 42.22 O ATOM 824 CB LEU A 53 2.266 21.572 -5.016 1.00 74.22 C ATOM 825 CG LEU A 53 1.917 20.126 -4.660 1.00 41.43 C ATOM 826 CD1 LEU A 53 1.540 19.345 -5.909 1.00 53.22 C ATOM 827 CD2 LEU A 53 3.080 19.458 -3.941 1.00 13.23 C ATOM 0 H LEU A 53 2.978 22.358 -7.309 1.00 51.45 H new ATOM 0 HA LEU A 53 0.416 21.681 -6.104 1.00 74.54 H new ATOM 0 HB2 LEU A 53 3.277 21.591 -5.423 1.00 74.22 H new ATOM 0 HB3 LEU A 53 2.281 22.158 -4.097 1.00 74.22 H new ATOM 0 HG LEU A 53 1.058 20.134 -3.989 1.00 41.43 H new ATOM 0 HD11 LEU A 53 1.295 18.319 -5.636 1.00 53.22 H new ATOM 0 HD12 LEU A 53 0.676 19.811 -6.382 1.00 53.22 H new ATOM 0 HD13 LEU A 53 2.379 19.345 -6.605 1.00 53.22 H new ATOM 0 HD21 LEU A 53 2.814 18.430 -3.695 1.00 13.23 H new ATOM 0 HD22 LEU A 53 3.958 19.461 -4.588 1.00 13.23 H new ATOM 0 HD23 LEU A 53 3.303 20.004 -3.024 1.00 13.23 H new ATOM 839 N GLN A 54 1.740 24.652 -5.936 1.00 35.22 N ATOM 840 CA GLN A 54 1.499 26.031 -5.527 1.00 5.24 C ATOM 841 C GLN A 54 0.102 26.484 -5.938 1.00 40.02 C ATOM 842 O GLN A 54 -0.433 27.453 -5.397 1.00 11.30 O ATOM 843 CB GLN A 54 2.550 26.958 -6.141 1.00 13.40 C ATOM 844 CG GLN A 54 2.391 27.149 -7.641 1.00 75.21 C ATOM 845 CD GLN A 54 3.315 28.216 -8.194 1.00 20.35 C ATOM 846 OE1 GLN A 54 4.573 28.188 -7.770 1.00 45.45 O flip ATOM 847 NE2 GLN A 54 2.903 29.056 -8.994 1.00 73.44 N flip ATOM 0 H GLN A 54 2.533 24.530 -6.565 1.00 35.22 H new ATOM 0 HA GLN A 54 1.572 26.080 -4.441 1.00 5.24 H new ATOM 0 HB2 GLN A 54 2.495 27.930 -5.652 1.00 13.40 H new ATOM 0 HB3 GLN A 54 3.542 26.554 -5.938 1.00 13.40 H new ATOM 0 HG2 GLN A 54 2.589 26.204 -8.147 1.00 75.21 H new ATOM 0 HG3 GLN A 54 1.358 27.418 -7.862 1.00 75.21 H new ATOM 0 HE21 GLN A 54 1.928 29.040 -9.293 1.00 73.44 H new ATOM 0 HE22 GLN A 54 3.537 29.768 -9.358 1.00 73.44 H new ATOM 856 N THR A 55 -0.485 25.779 -6.899 1.00 23.53 N ATOM 857 CA THR A 55 -1.819 26.110 -7.385 1.00 24.25 C ATOM 858 C THR A 55 -2.831 26.122 -6.245 1.00 71.25 C ATOM 859 O THR A 55 -2.675 25.433 -5.237 1.00 30.33 O ATOM 860 CB THR A 55 -2.288 25.113 -8.461 1.00 54.30 C ATOM 861 OG1 THR A 55 -2.319 23.787 -7.922 1.00 42.52 O ATOM 862 CG2 THR A 55 -1.370 25.152 -9.672 1.00 51.14 C ATOM 0 H THR A 55 -0.057 24.974 -7.357 1.00 23.53 H new ATOM 0 HA THR A 55 -1.758 27.106 -7.824 1.00 24.25 H new ATOM 0 HB THR A 55 -3.291 25.399 -8.776 1.00 54.30 H new ATOM 0 HG1 THR A 55 -1.481 23.326 -8.138 1.00 42.52 H new ATOM 0 HG21 THR A 55 -1.722 24.439 -10.418 1.00 51.14 H new ATOM 0 HG22 THR A 55 -1.373 26.155 -10.099 1.00 51.14 H new ATOM 0 HG23 THR A 55 -0.356 24.889 -9.369 1.00 51.14 H new ATOM 870 N PRO A 56 -3.893 26.925 -6.405 1.00 53.52 N ATOM 871 CA PRO A 56 -4.953 27.045 -5.399 1.00 12.33 C ATOM 872 C PRO A 56 -5.800 25.781 -5.294 1.00 31.34 C ATOM 873 O PRO A 56 -6.357 25.483 -4.238 1.00 43.31 O ATOM 874 CB PRO A 56 -5.798 28.214 -5.912 1.00 41.51 C ATOM 875 CG PRO A 56 -5.561 28.235 -7.382 1.00 31.12 C ATOM 876 CD PRO A 56 -4.144 27.776 -7.581 1.00 2.04 C ATOM 0 HA PRO A 56 -4.549 27.199 -4.398 1.00 12.33 H new ATOM 0 HB2 PRO A 56 -6.854 28.070 -5.683 1.00 41.51 H new ATOM 0 HB3 PRO A 56 -5.497 29.154 -5.449 1.00 41.51 H new ATOM 0 HG2 PRO A 56 -6.260 27.578 -7.899 1.00 31.12 H new ATOM 0 HG3 PRO A 56 -5.707 29.237 -7.786 1.00 31.12 H new ATOM 0 HD2 PRO A 56 -4.029 27.220 -8.511 1.00 2.04 H new ATOM 0 HD3 PRO A 56 -3.451 28.617 -7.624 1.00 2.04 H new ATOM 884 N GLN A 57 -5.892 25.044 -6.395 1.00 54.13 N ATOM 885 CA GLN A 57 -6.671 23.812 -6.426 1.00 35.45 C ATOM 886 C GLN A 57 -5.933 22.683 -5.713 1.00 15.23 C ATOM 887 O GLN A 57 -6.551 21.832 -5.072 1.00 55.15 O ATOM 888 CB GLN A 57 -6.971 23.408 -7.870 1.00 31.22 C ATOM 889 CG GLN A 57 -5.726 23.116 -8.692 1.00 70.00 C ATOM 890 CD GLN A 57 -5.961 23.265 -10.181 1.00 22.24 C ATOM 891 OE1 GLN A 57 -6.968 23.829 -10.609 1.00 74.05 O ATOM 892 NE2 GLN A 57 -5.030 22.759 -10.982 1.00 50.03 N ATOM 0 H GLN A 57 -5.437 25.278 -7.277 1.00 54.13 H new ATOM 0 HA GLN A 57 -7.611 23.994 -5.905 1.00 35.45 H new ATOM 0 HB2 GLN A 57 -7.609 22.524 -7.866 1.00 31.22 H new ATOM 0 HB3 GLN A 57 -7.535 24.206 -8.352 1.00 31.22 H new ATOM 0 HG2 GLN A 57 -4.926 23.790 -8.385 1.00 70.00 H new ATOM 0 HG3 GLN A 57 -5.386 22.102 -8.482 1.00 70.00 H new ATOM 0 HE21 GLN A 57 -4.211 22.299 -10.585 1.00 50.03 H new ATOM 0 HE22 GLN A 57 -5.135 22.830 -11.994 1.00 50.03 H new ATOM 901 N PHE A 58 -4.609 22.682 -5.830 1.00 44.33 N ATOM 902 CA PHE A 58 -3.788 21.656 -5.198 1.00 12.11 C ATOM 903 C PHE A 58 -3.030 22.227 -4.004 1.00 32.20 C ATOM 904 O PHE A 58 -1.843 21.951 -3.816 1.00 14.11 O ATOM 905 CB PHE A 58 -2.802 21.068 -6.209 1.00 65.32 C ATOM 906 CG PHE A 58 -3.465 20.475 -7.420 1.00 64.12 C ATOM 907 CD1 PHE A 58 -4.684 19.825 -7.309 1.00 14.53 C ATOM 908 CD2 PHE A 58 -2.872 20.570 -8.667 1.00 54.23 C ATOM 909 CE1 PHE A 58 -5.297 19.278 -8.420 1.00 51.05 C ATOM 910 CE2 PHE A 58 -3.480 20.025 -9.783 1.00 13.32 C ATOM 911 CZ PHE A 58 -4.695 19.379 -9.659 1.00 14.14 C ATOM 0 H PHE A 58 -4.082 23.379 -6.356 1.00 44.33 H new ATOM 0 HA PHE A 58 -4.448 20.865 -4.843 1.00 12.11 H new ATOM 0 HB2 PHE A 58 -2.113 21.850 -6.529 1.00 65.32 H new ATOM 0 HB3 PHE A 58 -2.206 20.299 -5.718 1.00 65.32 H new ATOM 0 HD1 PHE A 58 -5.160 19.745 -6.343 1.00 14.53 H new ATOM 0 HD2 PHE A 58 -1.923 21.076 -8.770 1.00 54.23 H new ATOM 0 HE1 PHE A 58 -6.246 18.772 -8.320 1.00 51.05 H new ATOM 0 HE2 PHE A 58 -3.006 20.104 -10.750 1.00 13.32 H new ATOM 0 HZ PHE A 58 -5.173 18.954 -10.529 1.00 14.14 H new ATOM 921 N THR A 59 -3.722 23.025 -3.197 1.00 4.20 N ATOM 922 CA THR A 59 -3.114 23.638 -2.022 1.00 22.31 C ATOM 923 C THR A 59 -3.129 22.682 -0.835 1.00 21.11 C ATOM 924 O THR A 59 -2.189 22.649 -0.039 1.00 21.14 O ATOM 925 CB THR A 59 -3.839 24.938 -1.628 1.00 62.34 C ATOM 926 OG1 THR A 59 -3.204 25.527 -0.488 1.00 4.22 O ATOM 927 CG2 THR A 59 -5.303 24.669 -1.316 1.00 32.12 C ATOM 0 H THR A 59 -4.704 23.262 -3.336 1.00 4.20 H new ATOM 0 HA THR A 59 -2.082 23.872 -2.285 1.00 22.31 H new ATOM 0 HB THR A 59 -3.784 25.627 -2.471 1.00 62.34 H new ATOM 0 HG1 THR A 59 -3.670 26.354 -0.245 1.00 4.22 H new ATOM 0 HG21 THR A 59 -5.794 25.602 -1.040 1.00 32.12 H new ATOM 0 HG22 THR A 59 -5.791 24.248 -2.195 1.00 32.12 H new ATOM 0 HG23 THR A 59 -5.375 23.963 -0.489 1.00 32.12 H new ATOM 935 N LYS A 60 -4.200 21.904 -0.721 1.00 35.52 N ATOM 936 CA LYS A 60 -4.336 20.944 0.368 1.00 52.53 C ATOM 937 C LYS A 60 -3.526 19.682 0.087 1.00 41.24 C ATOM 938 O LYS A 60 -3.482 18.765 0.907 1.00 22.22 O ATOM 939 CB LYS A 60 -5.808 20.583 0.576 1.00 75.42 C ATOM 940 CG LYS A 60 -6.537 20.236 -0.712 1.00 41.34 C ATOM 941 CD LYS A 60 -7.676 21.203 -0.986 1.00 60.34 C ATOM 942 CE LYS A 60 -8.397 20.862 -2.281 1.00 4.52 C ATOM 943 NZ LYS A 60 -8.564 22.058 -3.154 1.00 64.02 N ATOM 0 H LYS A 60 -4.987 21.920 -1.370 1.00 35.52 H new ATOM 0 HA LYS A 60 -3.950 21.406 1.276 1.00 52.53 H new ATOM 0 HB2 LYS A 60 -5.873 19.737 1.260 1.00 75.42 H new ATOM 0 HB3 LYS A 60 -6.315 21.420 1.056 1.00 75.42 H new ATOM 0 HG2 LYS A 60 -5.834 20.255 -1.545 1.00 41.34 H new ATOM 0 HG3 LYS A 60 -6.928 19.221 -0.648 1.00 41.34 H new ATOM 0 HD2 LYS A 60 -8.383 21.178 -0.157 1.00 60.34 H new ATOM 0 HD3 LYS A 60 -7.286 22.219 -1.042 1.00 60.34 H new ATOM 0 HE2 LYS A 60 -7.837 20.096 -2.818 1.00 4.52 H new ATOM 0 HE3 LYS A 60 -9.376 20.440 -2.052 1.00 4.52 H new ATOM 0 HZ1 LYS A 60 -9.463 21.987 -3.672 1.00 64.02 H new ATOM 0 HZ2 LYS A 60 -8.570 22.917 -2.568 1.00 64.02 H new ATOM 0 HZ3 LYS A 60 -7.776 22.106 -3.831 1.00 64.02 H new ATOM 957 N TYR A 61 -2.888 19.642 -1.077 1.00 14.05 N ATOM 958 CA TYR A 61 -2.081 18.492 -1.467 1.00 71.14 C ATOM 959 C TYR A 61 -0.626 18.896 -1.684 1.00 30.13 C ATOM 960 O TYR A 61 -0.062 18.682 -2.758 1.00 60.54 O ATOM 961 CB TYR A 61 -2.642 17.857 -2.741 1.00 71.25 C ATOM 962 CG TYR A 61 -4.151 17.779 -2.764 1.00 2.03 C ATOM 963 CD1 TYR A 61 -4.847 17.099 -1.772 1.00 2.40 C ATOM 964 CD2 TYR A 61 -4.883 18.384 -3.778 1.00 71.04 C ATOM 965 CE1 TYR A 61 -6.226 17.023 -1.789 1.00 73.23 C ATOM 966 CE2 TYR A 61 -6.261 18.315 -3.803 1.00 44.31 C ATOM 967 CZ TYR A 61 -6.929 17.633 -2.807 1.00 4.15 C ATOM 968 OH TYR A 61 -8.303 17.561 -2.829 1.00 1.43 O ATOM 0 H TYR A 61 -2.914 20.393 -1.767 1.00 14.05 H new ATOM 0 HA TYR A 61 -2.119 17.762 -0.658 1.00 71.14 H new ATOM 0 HB2 TYR A 61 -2.303 18.432 -3.603 1.00 71.25 H new ATOM 0 HB3 TYR A 61 -2.233 16.852 -2.847 1.00 71.25 H new ATOM 0 HD1 TYR A 61 -4.300 16.621 -0.973 1.00 2.40 H new ATOM 0 HD2 TYR A 61 -4.364 18.918 -4.561 1.00 71.04 H new ATOM 0 HE1 TYR A 61 -6.751 16.489 -1.010 1.00 73.23 H new ATOM 0 HE2 TYR A 61 -6.814 18.793 -4.598 1.00 44.31 H new ATOM 0 HH TYR A 61 -8.643 18.044 -3.611 1.00 1.43 H new ATOM 978 N THR A 62 -0.021 19.482 -0.656 1.00 71.44 N ATOM 979 CA THR A 62 1.368 19.917 -0.733 1.00 10.10 C ATOM 980 C THR A 62 2.309 18.849 -0.189 1.00 71.52 C ATOM 981 O THR A 62 3.059 18.226 -0.943 1.00 70.23 O ATOM 982 CB THR A 62 1.590 21.226 0.048 1.00 54.41 C ATOM 983 OG1 THR A 62 0.370 21.635 0.678 1.00 54.14 O ATOM 984 CG2 THR A 62 2.085 22.330 -0.875 1.00 32.11 C ATOM 0 H THR A 62 -0.471 19.666 0.240 1.00 71.44 H new ATOM 0 HA THR A 62 1.588 20.089 -1.787 1.00 10.10 H new ATOM 0 HB THR A 62 2.348 21.044 0.810 1.00 54.41 H new ATOM 0 HG1 THR A 62 -0.269 21.928 -0.005 1.00 54.14 H new ATOM 0 HG21 THR A 62 2.235 23.244 -0.301 1.00 32.11 H new ATOM 0 HG22 THR A 62 3.029 22.028 -1.329 1.00 32.11 H new ATOM 0 HG23 THR A 62 1.347 22.509 -1.657 1.00 32.11 H new ATOM 992 N LEU A 63 2.266 18.640 1.123 1.00 70.40 N ATOM 993 CA LEU A 63 3.116 17.645 1.767 1.00 22.45 C ATOM 994 C LEU A 63 2.310 16.411 2.158 1.00 21.32 C ATOM 995 O LEU A 63 2.849 15.456 2.718 1.00 24.35 O ATOM 996 CB LEU A 63 3.786 18.244 3.006 1.00 14.53 C ATOM 997 CG LEU A 63 3.032 18.075 4.324 1.00 33.33 C ATOM 998 CD1 LEU A 63 3.601 16.911 5.121 1.00 44.54 C ATOM 999 CD2 LEU A 63 3.087 19.359 5.139 1.00 34.14 C ATOM 0 H LEU A 63 1.652 19.146 1.761 1.00 70.40 H new ATOM 0 HA LEU A 63 3.884 17.344 1.055 1.00 22.45 H new ATOM 0 HB2 LEU A 63 4.773 17.793 3.115 1.00 14.53 H new ATOM 0 HB3 LEU A 63 3.939 19.309 2.832 1.00 14.53 H new ATOM 0 HG LEU A 63 1.989 17.857 4.097 1.00 33.33 H new ATOM 0 HD11 LEU A 63 3.051 16.807 6.056 1.00 44.54 H new ATOM 0 HD12 LEU A 63 3.508 15.993 4.541 1.00 44.54 H new ATOM 0 HD13 LEU A 63 4.653 17.098 5.338 1.00 44.54 H new ATOM 0 HD21 LEU A 63 2.545 19.220 6.074 1.00 34.14 H new ATOM 0 HD22 LEU A 63 4.126 19.608 5.355 1.00 34.14 H new ATOM 0 HD23 LEU A 63 2.630 20.170 4.572 1.00 34.14 H new ATOM 1011 N TRP A 64 1.016 16.437 1.856 1.00 4.53 N ATOM 1012 CA TRP A 64 0.136 15.319 2.173 1.00 50.12 C ATOM 1013 C TRP A 64 0.718 14.005 1.664 1.00 52.11 C ATOM 1014 O TRP A 64 0.432 12.936 2.204 1.00 52.14 O ATOM 1015 CB TRP A 64 -1.250 15.546 1.567 1.00 45.11 C ATOM 1016 CG TRP A 64 -1.465 14.804 0.283 1.00 5.32 C ATOM 1017 CD1 TRP A 64 -2.319 13.759 0.073 1.00 25.31 C ATOM 1018 CD2 TRP A 64 -0.814 15.050 -0.968 1.00 40.31 C ATOM 1019 NE1 TRP A 64 -2.238 13.340 -1.234 1.00 23.33 N ATOM 1020 CE2 TRP A 64 -1.322 14.116 -1.893 1.00 24.22 C ATOM 1021 CE3 TRP A 64 0.148 15.968 -1.398 1.00 53.41 C ATOM 1022 CZ2 TRP A 64 -0.899 14.076 -3.219 1.00 70.32 C ATOM 1023 CZ3 TRP A 64 0.567 15.927 -2.714 1.00 55.11 C ATOM 1024 CH2 TRP A 64 0.043 14.987 -3.613 1.00 13.15 C ATOM 0 H TRP A 64 0.554 17.220 1.393 1.00 4.53 H new ATOM 0 HA TRP A 64 0.045 15.258 3.257 1.00 50.12 H new ATOM 0 HB2 TRP A 64 -2.008 15.239 2.287 1.00 45.11 H new ATOM 0 HB3 TRP A 64 -1.391 16.612 1.390 1.00 45.11 H new ATOM 0 HD1 TRP A 64 -2.963 13.325 0.823 1.00 25.31 H new ATOM 0 HE1 TRP A 64 -2.773 12.576 -1.646 1.00 23.33 H new ATOM 0 HE3 TRP A 64 0.557 16.697 -0.714 1.00 53.41 H new ATOM 0 HZ2 TRP A 64 -1.300 13.351 -3.912 1.00 70.32 H new ATOM 0 HZ3 TRP A 64 1.311 16.631 -3.056 1.00 55.11 H new ATOM 0 HH2 TRP A 64 0.390 14.982 -4.636 1.00 13.15 H new ATOM 1035 N PHE A 65 1.537 14.091 0.620 1.00 21.42 N ATOM 1036 CA PHE A 65 2.159 12.908 0.037 1.00 54.41 C ATOM 1037 C PHE A 65 3.680 13.020 0.075 1.00 55.14 C ATOM 1038 O PHE A 65 4.384 12.015 0.177 1.00 43.01 O ATOM 1039 CB PHE A 65 1.686 12.716 -1.405 1.00 0.51 C ATOM 1040 CG PHE A 65 0.719 11.579 -1.572 1.00 35.13 C ATOM 1041 CD1 PHE A 65 -0.199 11.280 -0.579 1.00 1.23 C ATOM 1042 CD2 PHE A 65 0.730 10.806 -2.723 1.00 72.04 C ATOM 1043 CE1 PHE A 65 -1.091 10.235 -0.729 1.00 74.41 C ATOM 1044 CE2 PHE A 65 -0.159 9.760 -2.880 1.00 63.43 C ATOM 1045 CZ PHE A 65 -1.070 9.473 -1.881 1.00 12.20 C ATOM 0 H PHE A 65 1.785 14.967 0.161 1.00 21.42 H new ATOM 0 HA PHE A 65 1.861 12.042 0.628 1.00 54.41 H new ATOM 0 HB2 PHE A 65 1.215 13.637 -1.750 1.00 0.51 H new ATOM 0 HB3 PHE A 65 2.552 12.542 -2.043 1.00 0.51 H new ATOM 0 HD1 PHE A 65 -0.218 11.871 0.325 1.00 1.23 H new ATOM 0 HD2 PHE A 65 1.442 11.024 -3.506 1.00 72.04 H new ATOM 0 HE1 PHE A 65 -1.803 10.015 0.053 1.00 74.41 H new ATOM 0 HE2 PHE A 65 -0.142 9.167 -3.783 1.00 63.43 H new ATOM 0 HZ PHE A 65 -1.764 8.654 -2.001 1.00 12.20 H new ATOM 1055 N MET A 66 4.180 14.248 -0.009 1.00 21.31 N ATOM 1056 CA MET A 66 5.617 14.491 0.016 1.00 54.24 C ATOM 1057 C MET A 66 6.266 13.796 1.209 1.00 62.12 C ATOM 1058 O MET A 66 7.425 13.386 1.147 1.00 43.23 O ATOM 1059 CB MET A 66 5.901 15.994 0.071 1.00 0.42 C ATOM 1060 CG MET A 66 7.123 16.411 -0.731 1.00 60.21 C ATOM 1061 SD MET A 66 8.215 17.513 0.189 1.00 74.33 S ATOM 1062 CE MET A 66 8.874 16.388 1.418 1.00 12.21 C ATOM 0 H MET A 66 3.611 15.090 -0.095 1.00 21.31 H new ATOM 0 HA MET A 66 6.045 14.080 -0.898 1.00 54.24 H new ATOM 0 HB2 MET A 66 5.030 16.534 -0.302 1.00 0.42 H new ATOM 0 HB3 MET A 66 6.040 16.291 1.110 1.00 0.42 H new ATOM 0 HG2 MET A 66 7.678 15.521 -1.029 1.00 60.21 H new ATOM 0 HG3 MET A 66 6.800 16.907 -1.646 1.00 60.21 H new ATOM 0 HE1 MET A 66 8.501 16.666 2.403 1.00 12.21 H new ATOM 0 HE2 MET A 66 8.560 15.370 1.185 1.00 12.21 H new ATOM 0 HE3 MET A 66 9.963 16.442 1.414 1.00 12.21 H new ATOM 1072 N THR A 67 5.511 13.665 2.295 1.00 35.53 N ATOM 1073 CA THR A 67 6.012 13.021 3.503 1.00 25.30 C ATOM 1074 C THR A 67 4.950 12.124 4.128 1.00 54.02 C ATOM 1075 O THR A 67 5.056 11.739 5.292 1.00 4.44 O ATOM 1076 CB THR A 67 6.470 14.058 4.545 1.00 34.44 C ATOM 1077 OG1 THR A 67 7.157 15.134 3.895 1.00 54.41 O ATOM 1078 CG2 THR A 67 7.383 13.419 5.580 1.00 3.14 C ATOM 0 H THR A 67 4.549 13.997 2.363 1.00 35.53 H new ATOM 0 HA THR A 67 6.868 12.414 3.206 1.00 25.30 H new ATOM 0 HB THR A 67 5.587 14.445 5.053 1.00 34.44 H new ATOM 0 HG1 THR A 67 7.444 15.790 4.564 1.00 54.41 H new ATOM 0 HG21 THR A 67 7.693 14.171 6.305 1.00 3.14 H new ATOM 0 HG22 THR A 67 6.848 12.619 6.093 1.00 3.14 H new ATOM 0 HG23 THR A 67 8.263 13.008 5.085 1.00 3.14 H new ATOM 1086 N ASN A 68 3.926 11.793 3.348 1.00 30.33 N ATOM 1087 CA ASN A 68 2.845 10.940 3.826 1.00 74.32 C ATOM 1088 C ASN A 68 2.276 11.469 5.140 1.00 52.13 C ATOM 1089 O ASN A 68 1.943 10.696 6.038 1.00 64.53 O ATOM 1090 CB ASN A 68 3.344 9.506 4.014 1.00 33.53 C ATOM 1091 CG ASN A 68 4.344 9.097 2.950 1.00 60.54 C ATOM 1092 OD1 ASN A 68 5.482 8.742 3.256 1.00 41.20 O ATOM 1093 ND2 ASN A 68 3.923 9.146 1.692 1.00 22.32 N ATOM 0 H ASN A 68 3.823 12.103 2.382 1.00 30.33 H new ATOM 0 HA ASN A 68 2.052 10.946 3.078 1.00 74.32 H new ATOM 0 HB2 ASN A 68 3.805 9.411 4.997 1.00 33.53 H new ATOM 0 HB3 ASN A 68 2.495 8.823 3.992 1.00 33.53 H new ATOM 0 HD21 ASN A 68 4.552 8.883 0.933 1.00 22.32 H new ATOM 0 HD22 ASN A 68 2.971 9.447 1.484 1.00 22.32 H new ATOM 1100 N GLN A 69 2.168 12.789 5.243 1.00 44.34 N ATOM 1101 CA GLN A 69 1.640 13.420 6.446 1.00 22.34 C ATOM 1102 C GLN A 69 0.577 14.457 6.095 1.00 11.24 C ATOM 1103 O GLN A 69 0.880 15.498 5.511 1.00 12.43 O ATOM 1104 CB GLN A 69 2.769 14.079 7.240 1.00 24.40 C ATOM 1105 CG GLN A 69 2.305 14.728 8.534 1.00 53.41 C ATOM 1106 CD GLN A 69 2.246 13.749 9.689 1.00 3.24 C ATOM 1107 OE1 GLN A 69 3.245 13.114 10.033 1.00 30.13 O ATOM 1108 NE2 GLN A 69 1.072 13.620 10.297 1.00 3.22 N ATOM 0 H GLN A 69 2.439 13.442 4.508 1.00 44.34 H new ATOM 0 HA GLN A 69 1.179 12.646 7.059 1.00 22.34 H new ATOM 0 HB2 GLN A 69 3.526 13.329 7.471 1.00 24.40 H new ATOM 0 HB3 GLN A 69 3.248 14.834 6.616 1.00 24.40 H new ATOM 0 HG2 GLN A 69 2.980 15.545 8.789 1.00 53.41 H new ATOM 0 HG3 GLN A 69 1.318 15.166 8.383 1.00 53.41 H new ATOM 0 HE21 GLN A 69 0.271 14.165 9.980 1.00 3.22 H new ATOM 0 HE22 GLN A 69 0.972 12.976 11.081 1.00 3.22 H new ATOM 1117 N ILE A 70 -0.668 14.165 6.455 1.00 53.02 N ATOM 1118 CA ILE A 70 -1.776 15.072 6.179 1.00 1.12 C ATOM 1119 C ILE A 70 -1.870 16.163 7.240 1.00 5.32 C ATOM 1120 O ILE A 70 -1.895 15.878 8.437 1.00 35.42 O ATOM 1121 CB ILE A 70 -3.117 14.319 6.112 1.00 22.12 C ATOM 1122 CG1 ILE A 70 -3.332 13.501 7.387 1.00 23.30 C ATOM 1123 CG2 ILE A 70 -3.159 13.420 4.886 1.00 74.23 C ATOM 1124 CD1 ILE A 70 -4.514 13.963 8.209 1.00 41.24 C ATOM 0 H ILE A 70 -0.935 13.308 6.938 1.00 53.02 H new ATOM 0 HA ILE A 70 -1.577 15.528 5.209 1.00 1.12 H new ATOM 0 HB ILE A 70 -3.923 15.049 6.031 1.00 22.12 H new ATOM 0 HG12 ILE A 70 -3.474 12.454 7.118 1.00 23.30 H new ATOM 0 HG13 ILE A 70 -2.431 13.554 7.999 1.00 23.30 H new ATOM 0 HG21 ILE A 70 -4.113 12.894 4.853 1.00 74.23 H new ATOM 0 HG22 ILE A 70 -3.047 14.026 3.987 1.00 74.23 H new ATOM 0 HG23 ILE A 70 -2.347 12.695 4.939 1.00 74.23 H new ATOM 0 HD11 ILE A 70 -4.606 13.338 9.097 1.00 41.24 H new ATOM 0 HD12 ILE A 70 -4.365 15.000 8.509 1.00 41.24 H new ATOM 0 HD13 ILE A 70 -5.424 13.884 7.614 1.00 41.24 H new ATOM 1136 N ALA A 71 -1.924 17.414 6.792 1.00 53.21 N ATOM 1137 CA ALA A 71 -2.020 18.547 7.703 1.00 71.32 C ATOM 1138 C ALA A 71 -3.363 19.255 7.559 1.00 23.44 C ATOM 1139 O ALA A 71 -3.458 20.351 7.006 1.00 55.01 O ATOM 1140 CB ALA A 71 -0.878 19.522 7.455 1.00 72.44 C ATOM 0 H ALA A 71 -1.903 17.667 5.804 1.00 53.21 H new ATOM 0 HA ALA A 71 -1.946 18.169 8.723 1.00 71.32 H new ATOM 0 HB1 ALA A 71 -0.962 20.364 8.143 1.00 72.44 H new ATOM 0 HB2 ALA A 71 0.074 19.016 7.616 1.00 72.44 H new ATOM 0 HB3 ALA A 71 -0.927 19.886 6.429 1.00 72.44 H new ATOM 1146 N PRO A 72 -4.428 18.616 8.066 1.00 32.32 N ATOM 1147 CA PRO A 72 -5.785 19.167 8.005 1.00 40.23 C ATOM 1148 C PRO A 72 -5.959 20.381 8.911 1.00 33.14 C ATOM 1149 O PRO A 72 -6.866 21.188 8.714 1.00 11.03 O ATOM 1150 CB PRO A 72 -6.660 18.008 8.490 1.00 14.40 C ATOM 1151 CG PRO A 72 -5.759 17.185 9.345 1.00 21.53 C ATOM 1152 CD PRO A 72 -4.388 17.307 8.740 1.00 55.43 C ATOM 0 HA PRO A 72 -6.037 19.520 7.005 1.00 40.23 H new ATOM 0 HB2 PRO A 72 -7.519 18.370 9.054 1.00 14.40 H new ATOM 0 HB3 PRO A 72 -7.049 17.429 7.653 1.00 14.40 H new ATOM 0 HG2 PRO A 72 -5.764 17.543 10.375 1.00 21.53 H new ATOM 0 HG3 PRO A 72 -6.085 16.145 9.367 1.00 21.53 H new ATOM 0 HD2 PRO A 72 -3.608 17.270 9.501 1.00 55.43 H new ATOM 0 HD3 PRO A 72 -4.186 16.499 8.037 1.00 55.43 H new ATOM 1160 N GLU A 73 -5.083 20.504 9.904 1.00 23.32 N ATOM 1161 CA GLU A 73 -5.141 21.620 10.840 1.00 5.13 C ATOM 1162 C GLU A 73 -4.977 22.951 10.110 1.00 20.24 C ATOM 1163 O GLU A 73 -5.408 23.996 10.599 1.00 42.23 O ATOM 1164 CB GLU A 73 -4.057 21.476 11.909 1.00 31.42 C ATOM 1165 CG GLU A 73 -4.507 21.907 13.295 1.00 1.34 C ATOM 1166 CD GLU A 73 -4.996 20.745 14.137 1.00 12.40 C ATOM 1167 OE1 GLU A 73 -5.377 19.708 13.555 1.00 50.44 O ATOM 1168 OE2 GLU A 73 -4.998 20.872 15.379 1.00 62.13 O ATOM 0 H GLU A 73 -4.325 19.844 10.080 1.00 23.32 H new ATOM 0 HA GLU A 73 -6.119 21.606 11.321 1.00 5.13 H new ATOM 0 HB2 GLU A 73 -3.734 20.436 11.948 1.00 31.42 H new ATOM 0 HB3 GLU A 73 -3.190 22.069 11.617 1.00 31.42 H new ATOM 0 HG2 GLU A 73 -3.678 22.398 13.806 1.00 1.34 H new ATOM 0 HG3 GLU A 73 -5.305 22.644 13.201 1.00 1.34 H new ATOM 1175 N SER A 74 -4.352 22.904 8.939 1.00 3.44 N ATOM 1176 CA SER A 74 -4.126 24.105 8.143 1.00 51.31 C ATOM 1177 C SER A 74 -4.942 24.063 6.855 1.00 0.10 C ATOM 1178 O SER A 74 -5.278 25.101 6.285 1.00 72.23 O ATOM 1179 CB SER A 74 -2.639 24.254 7.815 1.00 74.54 C ATOM 1180 OG SER A 74 -1.867 24.383 8.996 1.00 24.41 O ATOM 0 H SER A 74 -3.992 22.047 8.519 1.00 3.44 H new ATOM 0 HA SER A 74 -4.448 24.966 8.729 1.00 51.31 H new ATOM 0 HB2 SER A 74 -2.300 23.387 7.248 1.00 74.54 H new ATOM 0 HB3 SER A 74 -2.489 25.128 7.181 1.00 74.54 H new ATOM 0 HG SER A 74 -1.334 23.572 9.128 1.00 24.41 H new ATOM 1186 N GLY A 75 -5.257 22.855 6.399 1.00 44.22 N ATOM 1187 CA GLY A 75 -6.030 22.699 5.180 1.00 41.33 C ATOM 1188 C GLY A 75 -5.351 21.790 4.176 1.00 61.32 C ATOM 1189 O GLY A 75 -5.304 22.097 2.985 1.00 21.02 O ATOM 0 H GLY A 75 -4.991 21.981 6.852 1.00 44.22 H new ATOM 0 HA2 GLY A 75 -7.012 22.295 5.425 1.00 41.33 H new ATOM 0 HA3 GLY A 75 -6.192 23.678 4.728 1.00 41.33 H new ATOM 1193 N GLN A 76 -4.824 20.669 4.656 1.00 43.44 N ATOM 1194 CA GLN A 76 -4.142 19.714 3.791 1.00 71.34 C ATOM 1195 C GLN A 76 -4.600 18.289 4.085 1.00 22.20 C ATOM 1196 O GLN A 76 -4.376 17.767 5.176 1.00 15.14 O ATOM 1197 CB GLN A 76 -2.627 19.821 3.970 1.00 1.44 C ATOM 1198 CG GLN A 76 -1.994 20.933 3.149 1.00 0.22 C ATOM 1199 CD GLN A 76 -2.443 22.312 3.590 1.00 70.30 C ATOM 1200 OE1 GLN A 76 -2.723 22.540 4.767 1.00 4.14 O ATOM 1201 NE2 GLN A 76 -2.516 23.242 2.644 1.00 55.24 N ATOM 0 H GLN A 76 -4.856 20.400 5.639 1.00 43.44 H new ATOM 0 HA GLN A 76 -4.397 19.953 2.758 1.00 71.34 H new ATOM 0 HB2 GLN A 76 -2.405 19.988 5.024 1.00 1.44 H new ATOM 0 HB3 GLN A 76 -2.169 18.871 3.694 1.00 1.44 H new ATOM 0 HG2 GLN A 76 -0.909 20.866 3.229 1.00 0.22 H new ATOM 0 HG3 GLN A 76 -2.246 20.792 2.098 1.00 0.22 H new ATOM 0 HE21 GLN A 76 -2.275 23.010 1.681 1.00 55.24 H new ATOM 0 HE22 GLN A 76 -2.813 24.188 2.881 1.00 55.24 H new ATOM 1210 N ILE A 77 -5.245 17.666 3.103 1.00 35.21 N ATOM 1211 CA ILE A 77 -5.734 16.302 3.257 1.00 50.55 C ATOM 1212 C ILE A 77 -5.622 15.527 1.948 1.00 25.22 C ATOM 1213 O ILE A 77 -5.476 16.115 0.877 1.00 5.00 O ATOM 1214 CB ILE A 77 -7.200 16.279 3.730 1.00 45.42 C ATOM 1215 CG1 ILE A 77 -8.140 16.584 2.562 1.00 11.52 C ATOM 1216 CG2 ILE A 77 -7.407 17.279 4.858 1.00 62.31 C ATOM 1217 CD1 ILE A 77 -7.887 17.930 1.918 1.00 65.21 C ATOM 0 H ILE A 77 -5.440 18.084 2.194 1.00 35.21 H new ATOM 0 HA ILE A 77 -5.109 15.826 4.013 1.00 50.55 H new ATOM 0 HB ILE A 77 -7.430 15.282 4.106 1.00 45.42 H new ATOM 0 HG12 ILE A 77 -8.034 15.804 1.808 1.00 11.52 H new ATOM 0 HG13 ILE A 77 -9.170 16.548 2.916 1.00 11.52 H new ATOM 0 HG21 ILE A 77 -8.447 17.252 5.182 1.00 62.31 H new ATOM 0 HG22 ILE A 77 -6.759 17.022 5.696 1.00 62.31 H new ATOM 0 HG23 ILE A 77 -7.163 18.281 4.505 1.00 62.31 H new ATOM 0 HD11 ILE A 77 -8.590 18.079 1.098 1.00 65.21 H new ATOM 0 HD12 ILE A 77 -8.021 18.719 2.658 1.00 65.21 H new ATOM 0 HD13 ILE A 77 -6.868 17.963 1.533 1.00 65.21 H new ATOM 1229 N ALA A 78 -5.694 14.203 2.043 1.00 44.32 N ATOM 1230 CA ALA A 78 -5.605 13.347 0.866 1.00 35.42 C ATOM 1231 C ALA A 78 -6.952 13.245 0.158 1.00 61.12 C ATOM 1232 O ALA A 78 -7.998 13.081 0.785 1.00 40.31 O ATOM 1233 CB ALA A 78 -5.105 11.964 1.257 1.00 72.54 C ATOM 0 H ALA A 78 -5.814 13.700 2.922 1.00 44.32 H new ATOM 0 HA ALA A 78 -4.894 13.796 0.173 1.00 35.42 H new ATOM 0 HB1 ALA A 78 -5.043 11.335 0.369 1.00 72.54 H new ATOM 0 HB2 ALA A 78 -4.118 12.049 1.711 1.00 72.54 H new ATOM 0 HB3 ALA A 78 -5.796 11.516 1.972 1.00 72.54 H new ATOM 1239 N PRO A 79 -6.927 13.344 -1.179 1.00 45.11 N ATOM 1240 CA PRO A 79 -8.138 13.265 -2.001 1.00 73.10 C ATOM 1241 C PRO A 79 -8.738 11.863 -2.017 1.00 74.34 C ATOM 1242 O PRO A 79 -8.255 10.963 -1.331 1.00 72.43 O ATOM 1243 CB PRO A 79 -7.646 13.653 -3.397 1.00 3.43 C ATOM 1244 CG PRO A 79 -6.196 13.307 -3.396 1.00 4.55 C ATOM 1245 CD PRO A 79 -5.715 13.540 -1.992 1.00 54.14 C ATOM 0 HA PRO A 79 -8.931 13.908 -1.620 1.00 73.10 H new ATOM 0 HB2 PRO A 79 -8.183 13.107 -4.172 1.00 3.43 H new ATOM 0 HB3 PRO A 79 -7.800 14.715 -3.590 1.00 3.43 H new ATOM 0 HG2 PRO A 79 -6.042 12.270 -3.694 1.00 4.55 H new ATOM 0 HG3 PRO A 79 -5.647 13.927 -4.104 1.00 4.55 H new ATOM 0 HD2 PRO A 79 -4.928 12.839 -1.715 1.00 54.14 H new ATOM 0 HD3 PRO A 79 -5.306 14.543 -1.869 1.00 54.14 H new ATOM 1253 N ALA A 80 -9.791 11.684 -2.807 1.00 1.11 N ATOM 1254 CA ALA A 80 -10.455 10.391 -2.915 1.00 34.34 C ATOM 1255 C ALA A 80 -9.561 9.373 -3.616 1.00 51.31 C ATOM 1256 O ALA A 80 -9.228 8.330 -3.051 1.00 70.35 O ATOM 1257 CB ALA A 80 -11.775 10.535 -3.655 1.00 63.50 C ATOM 0 H ALA A 80 -10.203 12.419 -3.382 1.00 1.11 H new ATOM 0 HA ALA A 80 -10.655 10.028 -1.907 1.00 34.34 H new ATOM 0 HB1 ALA A 80 -12.259 9.561 -3.728 1.00 63.50 H new ATOM 0 HB2 ALA A 80 -12.423 11.223 -3.112 1.00 63.50 H new ATOM 0 HB3 ALA A 80 -11.590 10.924 -4.656 1.00 63.50 H new ATOM 1263 N LEU A 81 -9.177 9.681 -4.849 1.00 5.22 N ATOM 1264 CA LEU A 81 -8.322 8.792 -5.629 1.00 2.43 C ATOM 1265 C LEU A 81 -7.081 8.396 -4.836 1.00 54.42 C ATOM 1266 O LEU A 81 -6.614 7.260 -4.919 1.00 41.41 O ATOM 1267 CB LEU A 81 -7.910 9.466 -6.939 1.00 34.21 C ATOM 1268 CG LEU A 81 -9.054 9.934 -7.841 1.00 32.21 C ATOM 1269 CD1 LEU A 81 -9.026 11.447 -7.995 1.00 11.43 C ATOM 1270 CD2 LEU A 81 -8.972 9.256 -9.200 1.00 41.44 C ATOM 0 H LEU A 81 -9.444 10.539 -5.331 1.00 5.22 H new ATOM 0 HA LEU A 81 -8.890 7.890 -5.855 1.00 2.43 H new ATOM 0 HB2 LEU A 81 -7.286 10.327 -6.701 1.00 34.21 H new ATOM 0 HB3 LEU A 81 -7.290 8.770 -7.504 1.00 34.21 H new ATOM 0 HG LEU A 81 -9.998 9.654 -7.374 1.00 32.21 H new ATOM 0 HD11 LEU A 81 -9.846 11.762 -8.640 1.00 11.43 H new ATOM 0 HD12 LEU A 81 -9.133 11.914 -7.016 1.00 11.43 H new ATOM 0 HD13 LEU A 81 -8.078 11.750 -8.440 1.00 11.43 H new ATOM 0 HD21 LEU A 81 -9.793 9.600 -9.829 1.00 41.44 H new ATOM 0 HD22 LEU A 81 -8.023 9.505 -9.674 1.00 41.44 H new ATOM 0 HD23 LEU A 81 -9.041 8.176 -9.072 1.00 41.44 H new ATOM 1282 N ALA A 82 -6.552 9.340 -4.064 1.00 61.40 N ATOM 1283 CA ALA A 82 -5.367 9.090 -3.253 1.00 42.42 C ATOM 1284 C ALA A 82 -5.532 7.824 -2.419 1.00 41.25 C ATOM 1285 O ALA A 82 -6.316 7.791 -1.469 1.00 1.31 O ATOM 1286 CB ALA A 82 -5.082 10.283 -2.354 1.00 60.33 C ATOM 0 H ALA A 82 -6.926 10.286 -3.983 1.00 61.40 H new ATOM 0 HA ALA A 82 -4.520 8.945 -3.924 1.00 42.42 H new ATOM 0 HB1 ALA A 82 -4.194 10.083 -1.754 1.00 60.33 H new ATOM 0 HB2 ALA A 82 -4.913 11.168 -2.967 1.00 60.33 H new ATOM 0 HB3 ALA A 82 -5.934 10.454 -1.696 1.00 60.33 H new ATOM 1292 N HIS A 83 -4.789 6.783 -2.779 1.00 52.44 N ATOM 1293 CA HIS A 83 -4.853 5.513 -2.063 1.00 62.14 C ATOM 1294 C HIS A 83 -3.928 5.526 -0.851 1.00 43.04 C ATOM 1295 O HIS A 83 -3.082 4.645 -0.692 1.00 74.24 O ATOM 1296 CB HIS A 83 -4.478 4.360 -2.993 1.00 52.01 C ATOM 1297 CG HIS A 83 -5.597 3.922 -3.887 1.00 71.45 C ATOM 1298 ND1 HIS A 83 -6.466 2.902 -3.561 1.00 72.31 N ATOM 1299 CD2 HIS A 83 -5.988 4.372 -5.101 1.00 33.10 C ATOM 1300 CE1 HIS A 83 -7.342 2.743 -4.536 1.00 41.15 C ATOM 1301 NE2 HIS A 83 -7.074 3.625 -5.484 1.00 35.44 N ATOM 0 H HIS A 83 -4.135 6.793 -3.562 1.00 52.44 H new ATOM 0 HA HIS A 83 -5.876 5.371 -1.715 1.00 62.14 H new ATOM 0 HB2 HIS A 83 -3.630 4.661 -3.608 1.00 52.01 H new ATOM 0 HB3 HIS A 83 -4.151 3.511 -2.392 1.00 52.01 H new ATOM 0 HD2 HIS A 83 -5.530 5.171 -5.665 1.00 33.10 H new ATOM 0 HE1 HIS A 83 -8.141 2.017 -4.556 1.00 41.15 H new ATOM 0 HE2 HIS A 83 -7.590 3.733 -6.357 1.00 35.44 H new ATOM 1309 N PHE A 84 -4.093 6.531 0.003 1.00 61.54 N ATOM 1310 CA PHE A 84 -3.271 6.660 1.201 1.00 21.02 C ATOM 1311 C PHE A 84 -4.069 7.281 2.344 1.00 45.34 C ATOM 1312 O PHE A 84 -4.477 6.592 3.278 1.00 11.55 O ATOM 1313 CB PHE A 84 -2.033 7.510 0.907 1.00 72.42 C ATOM 1314 CG PHE A 84 -0.758 6.718 0.870 1.00 14.02 C ATOM 1315 CD1 PHE A 84 -0.238 6.162 2.028 1.00 20.34 C ATOM 1316 CD2 PHE A 84 -0.078 6.532 -0.322 1.00 43.32 C ATOM 1317 CE1 PHE A 84 0.935 5.432 1.997 1.00 14.32 C ATOM 1318 CE2 PHE A 84 1.097 5.803 -0.359 1.00 15.34 C ATOM 1319 CZ PHE A 84 1.604 5.253 0.803 1.00 4.42 C ATOM 0 H PHE A 84 -4.789 7.268 -0.112 1.00 61.54 H new ATOM 0 HA PHE A 84 -2.954 5.662 1.503 1.00 21.02 H new ATOM 0 HB2 PHE A 84 -2.167 8.013 -0.051 1.00 72.42 H new ATOM 0 HB3 PHE A 84 -1.947 8.287 1.666 1.00 72.42 H new ATOM 0 HD1 PHE A 84 -0.756 6.301 2.966 1.00 20.34 H new ATOM 0 HD2 PHE A 84 -0.469 6.961 -1.233 1.00 43.32 H new ATOM 0 HE1 PHE A 84 1.328 5.002 2.906 1.00 14.32 H new ATOM 0 HE2 PHE A 84 1.618 5.664 -1.295 1.00 15.34 H new ATOM 0 HZ PHE A 84 2.522 4.684 0.777 1.00 4.42 H new ATOM 1573 N THR B 4 15.729 31.556 -5.336 1.00 72.34 N ATOM 1574 CA THR B 4 15.688 30.308 -6.087 1.00 42.42 C ATOM 1575 C THR B 4 15.385 29.126 -5.174 1.00 52.45 C ATOM 1576 O THR B 4 15.418 29.251 -3.949 1.00 62.33 O ATOM 1577 CB THR B 4 17.019 30.049 -6.819 1.00 14.31 C ATOM 1578 OG1 THR B 4 17.710 31.285 -7.031 1.00 24.44 O ATOM 1579 CG2 THR B 4 16.778 29.361 -8.154 1.00 44.11 C ATOM 0 HA THR B 4 14.890 30.408 -6.823 1.00 42.42 H new ATOM 0 HB THR B 4 17.629 29.394 -6.196 1.00 14.31 H new ATOM 0 HG1 THR B 4 17.401 31.948 -6.379 1.00 24.44 H new ATOM 0 HG21 THR B 4 17.732 29.189 -8.652 1.00 44.11 H new ATOM 0 HG22 THR B 4 16.279 28.407 -7.987 1.00 44.11 H new ATOM 0 HG23 THR B 4 16.150 29.994 -8.781 1.00 44.11 H new ATOM 1587 N ILE B 5 15.092 27.978 -5.776 1.00 72.43 N ATOM 1588 CA ILE B 5 14.786 26.773 -5.015 1.00 60.40 C ATOM 1589 C ILE B 5 15.886 26.465 -4.006 1.00 73.52 C ATOM 1590 O ILE B 5 15.612 26.183 -2.840 1.00 14.01 O ATOM 1591 CB ILE B 5 14.598 25.556 -5.941 1.00 41.35 C ATOM 1592 CG1 ILE B 5 13.552 25.860 -7.015 1.00 41.00 C ATOM 1593 CG2 ILE B 5 14.193 24.333 -5.131 1.00 64.43 C ATOM 1594 CD1 ILE B 5 14.031 25.580 -8.422 1.00 71.13 C ATOM 0 H ILE B 5 15.060 27.857 -6.788 1.00 72.43 H new ATOM 0 HA ILE B 5 13.853 26.963 -4.484 1.00 60.40 H new ATOM 0 HB ILE B 5 15.546 25.344 -6.435 1.00 41.35 H new ATOM 0 HG12 ILE B 5 12.659 25.266 -6.819 1.00 41.00 H new ATOM 0 HG13 ILE B 5 13.261 26.908 -6.941 1.00 41.00 H new ATOM 0 HG21 ILE B 5 14.064 23.481 -5.798 1.00 64.43 H new ATOM 0 HG22 ILE B 5 14.970 24.107 -4.400 1.00 64.43 H new ATOM 0 HG23 ILE B 5 13.255 24.534 -4.613 1.00 64.43 H new ATOM 0 HD11 ILE B 5 13.238 25.818 -9.131 1.00 71.13 H new ATOM 0 HD12 ILE B 5 14.906 26.193 -8.637 1.00 71.13 H new ATOM 0 HD13 ILE B 5 14.295 24.526 -8.514 1.00 71.13 H new ATOM 1606 N SER B 6 17.134 26.524 -4.462 1.00 1.32 N ATOM 1607 CA SER B 6 18.277 26.249 -3.600 1.00 35.53 C ATOM 1608 C SER B 6 18.224 27.106 -2.338 1.00 22.31 C ATOM 1609 O SER B 6 18.508 26.630 -1.240 1.00 0.21 O ATOM 1610 CB SER B 6 19.584 26.509 -4.352 1.00 41.32 C ATOM 1611 OG SER B 6 20.128 27.771 -4.006 1.00 21.35 O ATOM 0 H SER B 6 17.378 26.760 -5.424 1.00 1.32 H new ATOM 0 HA SER B 6 18.237 25.200 -3.308 1.00 35.53 H new ATOM 0 HB2 SER B 6 20.303 25.723 -4.120 1.00 41.32 H new ATOM 0 HB3 SER B 6 19.403 26.469 -5.426 1.00 41.32 H new ATOM 0 HG SER B 6 20.923 27.643 -3.448 1.00 21.35 H new ATOM 1617 N GLU B 7 17.857 28.373 -2.505 1.00 32.11 N ATOM 1618 CA GLU B 7 17.767 29.296 -1.381 1.00 62.35 C ATOM 1619 C GLU B 7 16.752 28.805 -0.353 1.00 42.41 C ATOM 1620 O GLU B 7 16.844 29.127 0.832 1.00 11.21 O ATOM 1621 CB GLU B 7 17.379 30.693 -1.869 1.00 23.21 C ATOM 1622 CG GLU B 7 18.555 31.650 -1.975 1.00 1.43 C ATOM 1623 CD GLU B 7 19.070 32.092 -0.618 1.00 1.34 C ATOM 1624 OE1 GLU B 7 18.296 32.035 0.359 1.00 64.22 O ATOM 1625 OE2 GLU B 7 20.250 32.493 -0.535 1.00 2.32 O ATOM 0 H GLU B 7 17.617 28.783 -3.408 1.00 32.11 H new ATOM 0 HA GLU B 7 18.746 29.344 -0.905 1.00 62.35 H new ATOM 0 HB2 GLU B 7 16.902 30.608 -2.845 1.00 23.21 H new ATOM 0 HB3 GLU B 7 16.639 31.114 -1.188 1.00 23.21 H new ATOM 0 HG2 GLU B 7 19.362 31.168 -2.527 1.00 1.43 H new ATOM 0 HG3 GLU B 7 18.255 32.527 -2.549 1.00 1.43 H new ATOM 1632 N LYS B 8 15.783 28.021 -0.815 1.00 33.03 N ATOM 1633 CA LYS B 8 14.750 27.483 0.062 1.00 74.20 C ATOM 1634 C LYS B 8 15.233 26.213 0.756 1.00 72.42 C ATOM 1635 O LYS B 8 14.507 25.617 1.553 1.00 55.43 O ATOM 1636 CB LYS B 8 13.477 27.189 -0.735 1.00 61.22 C ATOM 1637 CG LYS B 8 13.214 28.187 -1.850 1.00 10.12 C ATOM 1638 CD LYS B 8 11.769 28.135 -2.316 1.00 72.53 C ATOM 1639 CE LYS B 8 11.069 29.470 -2.114 1.00 74.45 C ATOM 1640 NZ LYS B 8 10.813 30.163 -3.406 1.00 44.13 N ATOM 0 H LYS B 8 15.692 27.744 -1.792 1.00 33.03 H new ATOM 0 HA LYS B 8 14.529 28.231 0.824 1.00 74.20 H new ATOM 0 HB2 LYS B 8 13.549 26.189 -1.163 1.00 61.22 H new ATOM 0 HB3 LYS B 8 12.625 27.184 -0.055 1.00 61.22 H new ATOM 0 HG2 LYS B 8 13.449 29.193 -1.502 1.00 10.12 H new ATOM 0 HG3 LYS B 8 13.876 27.978 -2.690 1.00 10.12 H new ATOM 0 HD2 LYS B 8 11.735 27.862 -3.371 1.00 72.53 H new ATOM 0 HD3 LYS B 8 11.237 27.357 -1.768 1.00 72.53 H new ATOM 0 HE2 LYS B 8 10.124 29.310 -1.595 1.00 74.45 H new ATOM 0 HE3 LYS B 8 11.680 30.107 -1.475 1.00 74.45 H new ATOM 0 HZ1 LYS B 8 10.335 31.069 -3.225 1.00 44.13 H new ATOM 0 HZ2 LYS B 8 11.716 30.339 -3.890 1.00 44.13 H new ATOM 0 HZ3 LYS B 8 10.209 29.566 -4.006 1.00 44.13 H new ATOM 1654 N ILE B 9 16.459 25.806 0.448 1.00 12.54 N ATOM 1655 CA ILE B 9 17.038 24.609 1.044 1.00 14.12 C ATOM 1656 C ILE B 9 18.333 24.933 1.783 1.00 2.44 C ATOM 1657 O ILE B 9 18.984 24.047 2.336 1.00 32.42 O ATOM 1658 CB ILE B 9 17.323 23.532 -0.019 1.00 61.41 C ATOM 1659 CG1 ILE B 9 16.151 23.425 -0.996 1.00 2.42 C ATOM 1660 CG2 ILE B 9 17.589 22.189 0.645 1.00 21.54 C ATOM 1661 CD1 ILE B 9 16.368 22.408 -2.093 1.00 4.43 C ATOM 0 H ILE B 9 17.071 26.288 -0.211 1.00 12.54 H new ATOM 0 HA ILE B 9 16.305 24.224 1.753 1.00 14.12 H new ATOM 0 HB ILE B 9 18.213 23.822 -0.578 1.00 61.41 H new ATOM 0 HG12 ILE B 9 15.250 23.162 -0.442 1.00 2.42 H new ATOM 0 HG13 ILE B 9 15.975 24.401 -1.447 1.00 2.42 H new ATOM 0 HG21 ILE B 9 17.789 21.438 -0.120 1.00 21.54 H new ATOM 0 HG22 ILE B 9 18.453 22.274 1.305 1.00 21.54 H new ATOM 0 HG23 ILE B 9 16.716 21.891 1.226 1.00 21.54 H new ATOM 0 HD11 ILE B 9 15.496 22.387 -2.747 1.00 4.43 H new ATOM 0 HD12 ILE B 9 17.250 22.680 -2.672 1.00 4.43 H new ATOM 0 HD13 ILE B 9 16.514 21.422 -1.652 1.00 4.43 H new ATOM 1673 N VAL B 10 18.699 26.211 1.790 1.00 31.43 N ATOM 1674 CA VAL B 10 19.913 26.653 2.464 1.00 4.14 C ATOM 1675 C VAL B 10 19.586 27.471 3.707 1.00 20.24 C ATOM 1676 O VAL B 10 20.327 27.451 4.692 1.00 25.00 O ATOM 1677 CB VAL B 10 20.799 27.496 1.527 1.00 14.00 C ATOM 1678 CG1 VAL B 10 21.117 26.725 0.256 1.00 0.51 C ATOM 1679 CG2 VAL B 10 20.122 28.819 1.203 1.00 13.31 C ATOM 0 H VAL B 10 18.172 26.958 1.337 1.00 31.43 H new ATOM 0 HA VAL B 10 20.457 25.755 2.757 1.00 4.14 H new ATOM 0 HB VAL B 10 21.738 27.710 2.038 1.00 14.00 H new ATOM 0 HG11 VAL B 10 21.744 27.336 -0.393 1.00 0.51 H new ATOM 0 HG12 VAL B 10 21.646 25.806 0.510 1.00 0.51 H new ATOM 0 HG13 VAL B 10 20.190 26.479 -0.262 1.00 0.51 H new ATOM 0 HG21 VAL B 10 20.761 29.402 0.540 1.00 13.31 H new ATOM 0 HG22 VAL B 10 19.168 28.629 0.712 1.00 13.31 H new ATOM 0 HG23 VAL B 10 19.951 29.376 2.124 1.00 13.31 H new ATOM 1689 N LEU B 11 18.470 28.192 3.657 1.00 4.44 N ATOM 1690 CA LEU B 11 18.042 29.018 4.781 1.00 2.34 C ATOM 1691 C LEU B 11 17.462 28.158 5.899 1.00 45.43 C ATOM 1692 O LEU B 11 17.507 28.533 7.071 1.00 75.44 O ATOM 1693 CB LEU B 11 17.004 30.043 4.320 1.00 4.21 C ATOM 1694 CG LEU B 11 15.777 29.479 3.603 1.00 62.10 C ATOM 1695 CD1 LEU B 11 14.762 28.964 4.611 1.00 1.11 C ATOM 1696 CD2 LEU B 11 15.150 30.537 2.707 1.00 42.24 C ATOM 0 H LEU B 11 17.846 28.221 2.851 1.00 4.44 H new ATOM 0 HA LEU B 11 18.916 29.543 5.167 1.00 2.34 H new ATOM 0 HB2 LEU B 11 16.665 30.604 5.191 1.00 4.21 H new ATOM 0 HB3 LEU B 11 17.495 30.753 3.654 1.00 4.21 H new ATOM 0 HG LEU B 11 16.096 28.645 2.978 1.00 62.10 H new ATOM 0 HD11 LEU B 11 13.895 28.566 4.084 1.00 1.11 H new ATOM 0 HD12 LEU B 11 15.214 28.175 5.212 1.00 1.11 H new ATOM 0 HD13 LEU B 11 14.448 29.781 5.261 1.00 1.11 H new ATOM 0 HD21 LEU B 11 14.278 30.118 2.205 1.00 42.24 H new ATOM 0 HD22 LEU B 11 14.845 31.391 3.311 1.00 42.24 H new ATOM 0 HD23 LEU B 11 15.877 30.861 1.962 1.00 42.24 H new ATOM 1708 N MET B 12 16.919 27.003 5.529 1.00 15.32 N ATOM 1709 CA MET B 12 16.333 26.087 6.502 1.00 4.44 C ATOM 1710 C MET B 12 17.351 25.042 6.946 1.00 75.53 C ATOM 1711 O MET B 12 17.318 24.576 8.086 1.00 31.24 O ATOM 1712 CB MET B 12 15.102 25.400 5.909 1.00 24.25 C ATOM 1713 CG MET B 12 15.308 24.908 4.486 1.00 13.14 C ATOM 1714 SD MET B 12 14.444 23.361 4.153 1.00 25.25 S ATOM 1715 CE MET B 12 15.798 22.331 3.592 1.00 64.33 C ATOM 0 H MET B 12 16.872 26.679 4.563 1.00 15.32 H new ATOM 0 HA MET B 12 16.031 26.666 7.375 1.00 4.44 H new ATOM 0 HB2 MET B 12 14.828 24.555 6.541 1.00 24.25 H new ATOM 0 HB3 MET B 12 14.264 26.096 5.926 1.00 24.25 H new ATOM 0 HG2 MET B 12 14.961 25.670 3.788 1.00 13.14 H new ATOM 0 HG3 MET B 12 16.374 24.771 4.304 1.00 13.14 H new ATOM 0 HE1 MET B 12 15.713 21.342 4.041 1.00 64.33 H new ATOM 0 HE2 MET B 12 15.761 22.241 2.506 1.00 64.33 H new ATOM 0 HE3 MET B 12 16.745 22.783 3.886 1.00 64.33 H new ATOM 1725 N ARG B 13 18.253 24.678 6.040 1.00 31.24 N ATOM 1726 CA ARG B 13 19.278 23.685 6.339 1.00 74.51 C ATOM 1727 C ARG B 13 20.214 24.185 7.435 1.00 20.12 C ATOM 1728 O ARG B 13 20.498 23.472 8.398 1.00 41.34 O ATOM 1729 CB ARG B 13 20.080 23.355 5.079 1.00 32.34 C ATOM 1730 CG ARG B 13 21.138 22.285 5.295 1.00 45.45 C ATOM 1731 CD ARG B 13 22.513 22.897 5.510 1.00 63.05 C ATOM 1732 NE ARG B 13 23.180 23.204 4.247 1.00 42.01 N ATOM 1733 CZ ARG B 13 24.494 23.362 4.128 1.00 41.31 C ATOM 1734 NH1 ARG B 13 25.277 23.243 5.191 1.00 23.35 N ATOM 1735 NH2 ARG B 13 25.026 23.639 2.945 1.00 12.23 N ATOM 0 H ARG B 13 18.295 25.056 5.093 1.00 31.24 H new ATOM 0 HA ARG B 13 18.782 22.781 6.693 1.00 74.51 H new ATOM 0 HB2 ARG B 13 19.395 23.025 4.298 1.00 32.34 H new ATOM 0 HB3 ARG B 13 20.562 24.263 4.717 1.00 32.34 H new ATOM 0 HG2 ARG B 13 20.870 21.676 6.159 1.00 45.45 H new ATOM 0 HG3 ARG B 13 21.166 21.620 4.432 1.00 45.45 H new ATOM 0 HD2 ARG B 13 22.416 23.809 6.099 1.00 63.05 H new ATOM 0 HD3 ARG B 13 23.130 22.208 6.088 1.00 63.05 H new ATOM 0 HE ARG B 13 22.605 23.303 3.410 1.00 42.01 H new ATOM 0 HH11 ARG B 13 24.871 23.030 6.102 1.00 23.35 H new ATOM 0 HH12 ARG B 13 26.285 23.365 5.098 1.00 23.35 H new ATOM 0 HH21 ARG B 13 24.426 23.731 2.125 1.00 12.23 H new ATOM 0 HH22 ARG B 13 26.035 23.760 2.855 1.00 12.23 H new ATOM 1749 N LYS B 14 20.693 25.415 7.281 1.00 12.22 N ATOM 1750 CA LYS B 14 21.597 26.012 8.257 1.00 65.30 C ATOM 1751 C LYS B 14 20.873 26.294 9.570 1.00 55.42 C ATOM 1752 O LYS B 14 21.502 26.573 10.590 1.00 72.04 O ATOM 1753 CB LYS B 14 22.195 27.308 7.703 1.00 13.55 C ATOM 1754 CG LYS B 14 23.640 27.168 7.255 1.00 13.50 C ATOM 1755 CD LYS B 14 23.828 27.642 5.824 1.00 31.23 C ATOM 1756 CE LYS B 14 23.473 26.551 4.824 1.00 22.12 C ATOM 1757 NZ LYS B 14 24.457 26.479 3.708 1.00 72.34 N ATOM 0 H LYS B 14 20.470 26.018 6.489 1.00 12.22 H new ATOM 0 HA LYS B 14 22.401 25.302 8.452 1.00 65.30 H new ATOM 0 HB2 LYS B 14 21.593 27.645 6.859 1.00 13.55 H new ATOM 0 HB3 LYS B 14 22.134 28.083 8.467 1.00 13.55 H new ATOM 0 HG2 LYS B 14 24.285 27.745 7.918 1.00 13.50 H new ATOM 0 HG3 LYS B 14 23.948 26.126 7.338 1.00 13.50 H new ATOM 0 HD2 LYS B 14 23.205 28.518 5.645 1.00 31.23 H new ATOM 0 HD3 LYS B 14 24.863 27.951 5.675 1.00 31.23 H new ATOM 0 HE2 LYS B 14 23.433 25.589 5.335 1.00 22.12 H new ATOM 0 HE3 LYS B 14 22.478 26.739 4.420 1.00 22.12 H new ATOM 0 HZ1 LYS B 14 24.028 25.988 2.898 1.00 72.34 H new ATOM 0 HZ2 LYS B 14 24.731 27.441 3.424 1.00 72.34 H new ATOM 0 HZ3 LYS B 14 25.300 25.957 4.022 1.00 72.34 H new ATOM 1771 N SER B 15 19.547 26.221 9.536 1.00 70.12 N ATOM 1772 CA SER B 15 18.736 26.471 10.722 1.00 60.13 C ATOM 1773 C SER B 15 18.788 25.281 11.675 1.00 64.13 C ATOM 1774 O SER B 15 18.644 25.438 12.888 1.00 73.31 O ATOM 1775 CB SER B 15 17.286 26.757 10.324 1.00 63.31 C ATOM 1776 OG SER B 15 16.643 27.567 11.292 1.00 42.11 O ATOM 0 H SER B 15 19.011 25.991 8.700 1.00 70.12 H new ATOM 0 HA SER B 15 19.143 27.343 11.234 1.00 60.13 H new ATOM 0 HB2 SER B 15 17.263 27.255 9.355 1.00 63.31 H new ATOM 0 HB3 SER B 15 16.744 25.818 10.213 1.00 63.31 H new ATOM 0 HG SER B 15 16.940 27.304 12.188 1.00 42.11 H new ATOM 1782 N GLU B 16 18.995 24.093 11.119 1.00 40.41 N ATOM 1783 CA GLU B 16 19.065 22.876 11.919 1.00 13.44 C ATOM 1784 C GLU B 16 20.408 22.773 12.636 1.00 32.01 C ATOM 1785 O GLU B 16 20.626 21.868 13.442 1.00 23.44 O ATOM 1786 CB GLU B 16 18.851 21.644 11.037 1.00 54.12 C ATOM 1787 CG GLU B 16 18.781 20.341 11.815 1.00 50.43 C ATOM 1788 CD GLU B 16 17.780 20.394 12.952 1.00 43.22 C ATOM 1789 OE1 GLU B 16 16.716 21.025 12.776 1.00 35.53 O ATOM 1790 OE2 GLU B 16 18.059 19.807 14.019 1.00 51.44 O ATOM 0 H GLU B 16 19.117 23.946 10.117 1.00 40.41 H new ATOM 0 HA GLU B 16 18.274 22.919 12.668 1.00 13.44 H new ATOM 0 HB2 GLU B 16 17.928 21.769 10.471 1.00 54.12 H new ATOM 0 HB3 GLU B 16 19.663 21.581 10.313 1.00 54.12 H new ATOM 0 HG2 GLU B 16 18.512 19.531 11.137 1.00 50.43 H new ATOM 0 HG3 GLU B 16 19.768 20.108 12.215 1.00 50.43 H new ATOM 1797 N TYR B 17 21.304 23.706 12.337 1.00 34.32 N ATOM 1798 CA TYR B 17 22.627 23.720 12.950 1.00 12.14 C ATOM 1799 C TYR B 17 23.420 22.476 12.562 1.00 53.41 C ATOM 1800 O TYR B 17 24.246 21.986 13.334 1.00 71.22 O ATOM 1801 CB TYR B 17 22.506 23.808 14.472 1.00 12.25 C ATOM 1802 CG TYR B 17 21.527 24.859 14.943 1.00 11.31 C ATOM 1803 CD1 TYR B 17 21.673 26.190 14.569 1.00 24.11 C ATOM 1804 CD2 TYR B 17 20.454 24.522 15.759 1.00 4.33 C ATOM 1805 CE1 TYR B 17 20.781 27.154 14.997 1.00 12.34 C ATOM 1806 CE2 TYR B 17 19.556 25.479 16.191 1.00 21.33 C ATOM 1807 CZ TYR B 17 19.725 26.794 15.807 1.00 21.44 C ATOM 1808 OH TYR B 17 18.832 27.751 16.234 1.00 40.42 O ATOM 0 H TYR B 17 21.139 24.463 11.674 1.00 34.32 H new ATOM 0 HA TYR B 17 23.160 24.597 12.584 1.00 12.14 H new ATOM 0 HB2 TYR B 17 22.198 22.837 14.860 1.00 12.25 H new ATOM 0 HB3 TYR B 17 23.488 24.023 14.894 1.00 12.25 H new ATOM 0 HD1 TYR B 17 22.498 26.475 13.933 1.00 24.11 H new ATOM 0 HD2 TYR B 17 20.320 23.494 16.061 1.00 4.33 H new ATOM 0 HE1 TYR B 17 20.910 28.184 14.699 1.00 12.34 H new ATOM 0 HE2 TYR B 17 18.727 25.200 16.825 1.00 21.33 H new ATOM 0 HH TYR B 17 18.147 27.332 16.796 1.00 40.42 H new ATOM 1818 N LEU B 18 23.165 21.970 11.361 1.00 12.20 N ATOM 1819 CA LEU B 18 23.855 20.783 10.868 1.00 24.40 C ATOM 1820 C LEU B 18 24.822 21.143 9.745 1.00 52.21 C ATOM 1821 O LEU B 18 24.816 22.266 9.242 1.00 53.11 O ATOM 1822 CB LEU B 18 22.842 19.750 10.373 1.00 20.43 C ATOM 1823 CG LEU B 18 22.014 20.153 9.152 1.00 13.14 C ATOM 1824 CD1 LEU B 18 22.767 19.835 7.868 1.00 73.11 C ATOM 1825 CD2 LEU B 18 20.664 19.451 9.168 1.00 4.13 C ATOM 0 H LEU B 18 22.485 22.363 10.710 1.00 12.20 H new ATOM 0 HA LEU B 18 24.427 20.356 11.692 1.00 24.40 H new ATOM 0 HB2 LEU B 18 23.377 18.830 10.137 1.00 20.43 H new ATOM 0 HB3 LEU B 18 22.159 19.520 11.191 1.00 20.43 H new ATOM 0 HG LEU B 18 21.842 21.229 9.192 1.00 13.14 H new ATOM 0 HD11 LEU B 18 22.163 20.128 7.010 1.00 73.11 H new ATOM 0 HD12 LEU B 18 23.709 20.383 7.853 1.00 73.11 H new ATOM 0 HD13 LEU B 18 22.969 18.765 7.820 1.00 73.11 H new ATOM 0 HD21 LEU B 18 20.088 19.750 8.292 1.00 4.13 H new ATOM 0 HD22 LEU B 18 20.815 18.372 9.152 1.00 4.13 H new ATOM 0 HD23 LEU B 18 20.120 19.728 10.071 1.00 4.13 H new ATOM 1837 N SER B 19 25.653 20.180 9.356 1.00 12.41 N ATOM 1838 CA SER B 19 26.628 20.396 8.294 1.00 64.34 C ATOM 1839 C SER B 19 26.203 19.682 7.013 1.00 33.32 C ATOM 1840 O SER B 19 25.359 18.787 7.040 1.00 1.23 O ATOM 1841 CB SER B 19 28.009 19.903 8.732 1.00 15.24 C ATOM 1842 OG SER B 19 28.770 20.953 9.298 1.00 63.44 O ATOM 0 H SER B 19 25.670 19.244 9.760 1.00 12.41 H new ATOM 0 HA SER B 19 26.679 21.466 8.093 1.00 64.34 H new ATOM 0 HB2 SER B 19 27.897 19.098 9.459 1.00 15.24 H new ATOM 0 HB3 SER B 19 28.539 19.487 7.875 1.00 15.24 H new ATOM 0 HG SER B 19 29.647 20.611 9.571 1.00 63.44 H new ATOM 1848 N ARG B 20 26.794 20.088 5.894 1.00 0.34 N ATOM 1849 CA ARG B 20 26.476 19.490 4.603 1.00 13.34 C ATOM 1850 C ARG B 20 26.588 17.969 4.666 1.00 61.45 C ATOM 1851 O ARG B 20 25.879 17.256 3.957 1.00 32.35 O ATOM 1852 CB ARG B 20 27.409 20.035 3.520 1.00 32.01 C ATOM 1853 CG ARG B 20 26.769 21.098 2.643 1.00 12.30 C ATOM 1854 CD ARG B 20 27.210 20.963 1.194 1.00 43.42 C ATOM 1855 NE ARG B 20 27.863 22.175 0.706 1.00 33.34 N ATOM 1856 CZ ARG B 20 29.119 22.498 0.992 1.00 13.22 C ATOM 1857 NH1 ARG B 20 29.854 21.704 1.759 1.00 45.34 N ATOM 1858 NH2 ARG B 20 29.644 23.618 0.509 1.00 44.43 N ATOM 0 H ARG B 20 27.495 20.828 5.855 1.00 0.34 H new ATOM 0 HA ARG B 20 25.448 19.752 4.353 1.00 13.34 H new ATOM 0 HB2 ARG B 20 28.297 20.454 3.994 1.00 32.01 H new ATOM 0 HB3 ARG B 20 27.743 19.210 2.891 1.00 32.01 H new ATOM 0 HG2 ARG B 20 25.684 21.016 2.703 1.00 12.30 H new ATOM 0 HG3 ARG B 20 27.035 22.087 3.015 1.00 12.30 H new ATOM 0 HD2 ARG B 20 27.894 20.120 1.100 1.00 43.42 H new ATOM 0 HD3 ARG B 20 26.344 20.742 0.570 1.00 43.42 H new ATOM 0 HE ARG B 20 27.325 22.808 0.113 1.00 33.34 H new ATOM 0 HH11 ARG B 20 29.455 20.842 2.131 1.00 45.34 H new ATOM 0 HH12 ARG B 20 30.818 21.955 1.977 1.00 45.34 H new ATOM 0 HH21 ARG B 20 29.083 24.231 -0.082 1.00 44.43 H new ATOM 0 HH22 ARG B 20 30.609 23.865 0.729 1.00 44.43 H new ATOM 1872 N GLN B 21 27.482 17.482 5.519 1.00 14.43 N ATOM 1873 CA GLN B 21 27.687 16.046 5.673 1.00 43.34 C ATOM 1874 C GLN B 21 26.539 15.413 6.453 1.00 62.14 C ATOM 1875 O GLN B 21 26.057 14.337 6.101 1.00 41.54 O ATOM 1876 CB GLN B 21 29.013 15.771 6.384 1.00 2.32 C ATOM 1877 CG GLN B 21 29.125 16.442 7.744 1.00 23.52 C ATOM 1878 CD GLN B 21 30.528 16.937 8.037 1.00 53.34 C ATOM 1879 OE1 GLN B 21 31.023 17.856 7.384 1.00 14.14 O ATOM 1880 NE2 GLN B 21 31.175 16.330 9.024 1.00 71.20 N ATOM 0 H GLN B 21 28.076 18.059 6.114 1.00 14.43 H new ATOM 0 HA GLN B 21 27.717 15.601 4.678 1.00 43.34 H new ATOM 0 HB2 GLN B 21 29.133 14.695 6.508 1.00 2.32 H new ATOM 0 HB3 GLN B 21 29.832 16.112 5.751 1.00 2.32 H new ATOM 0 HG2 GLN B 21 28.431 17.281 7.789 1.00 23.52 H new ATOM 0 HG3 GLN B 21 28.823 15.737 8.519 1.00 23.52 H new ATOM 0 HE21 GLN B 21 30.726 15.573 9.539 1.00 71.20 H new ATOM 0 HE22 GLN B 21 32.122 16.621 9.268 1.00 71.20 H new ATOM 1889 N GLN B 22 26.106 16.088 7.512 1.00 33.40 N ATOM 1890 CA GLN B 22 25.015 15.592 8.342 1.00 53.02 C ATOM 1891 C GLN B 22 23.788 15.272 7.494 1.00 53.44 C ATOM 1892 O GLN B 22 23.384 14.114 7.378 1.00 72.23 O ATOM 1893 CB GLN B 22 24.654 16.618 9.417 1.00 4.03 C ATOM 1894 CG GLN B 22 25.759 16.847 10.436 1.00 5.22 C ATOM 1895 CD GLN B 22 26.032 15.621 11.285 1.00 40.14 C ATOM 1896 OE1 GLN B 22 27.134 15.072 11.268 1.00 24.31 O ATOM 1897 NE2 GLN B 22 25.027 15.183 12.035 1.00 70.34 N ATOM 0 H GLN B 22 26.494 16.981 7.816 1.00 33.40 H new ATOM 0 HA GLN B 22 25.349 14.674 8.826 1.00 53.02 H new ATOM 0 HB2 GLN B 22 24.413 17.566 8.936 1.00 4.03 H new ATOM 0 HB3 GLN B 22 23.755 16.286 9.937 1.00 4.03 H new ATOM 0 HG2 GLN B 22 26.673 17.136 9.917 1.00 5.22 H new ATOM 0 HG3 GLN B 22 25.484 17.679 11.084 1.00 5.22 H new ATOM 0 HE21 GLN B 22 24.130 15.668 12.019 1.00 70.34 H new ATOM 0 HE22 GLN B 22 25.152 14.362 12.627 1.00 70.34 H new ATOM 1906 N LEU B 23 23.198 16.306 6.903 1.00 15.24 N ATOM 1907 CA LEU B 23 22.016 16.137 6.066 1.00 60.42 C ATOM 1908 C LEU B 23 22.290 15.154 4.930 1.00 74.31 C ATOM 1909 O LEU B 23 21.417 14.378 4.545 1.00 34.01 O ATOM 1910 CB LEU B 23 21.575 17.485 5.493 1.00 62.13 C ATOM 1911 CG LEU B 23 20.420 17.443 4.493 1.00 44.52 C ATOM 1912 CD1 LEU B 23 19.141 17.959 5.133 1.00 33.53 C ATOM 1913 CD2 LEU B 23 20.761 18.255 3.251 1.00 12.23 C ATOM 0 H LEU B 23 23.519 17.270 6.988 1.00 15.24 H new ATOM 0 HA LEU B 23 21.216 15.734 6.687 1.00 60.42 H new ATOM 0 HB2 LEU B 23 21.289 18.133 6.321 1.00 62.13 H new ATOM 0 HB3 LEU B 23 22.433 17.949 5.007 1.00 62.13 H new ATOM 0 HG LEU B 23 20.261 16.407 4.194 1.00 44.52 H new ATOM 0 HD11 LEU B 23 18.330 17.922 4.406 1.00 33.53 H new ATOM 0 HD12 LEU B 23 18.888 17.338 5.992 1.00 33.53 H new ATOM 0 HD13 LEU B 23 19.288 18.988 5.460 1.00 33.53 H new ATOM 0 HD21 LEU B 23 19.928 18.214 2.550 1.00 12.23 H new ATOM 0 HD22 LEU B 23 20.947 19.291 3.534 1.00 12.23 H new ATOM 0 HD23 LEU B 23 21.653 17.842 2.780 1.00 12.23 H new ATOM 1925 N ALA B 24 23.508 15.195 4.400 1.00 31.24 N ATOM 1926 CA ALA B 24 23.898 14.306 3.313 1.00 75.43 C ATOM 1927 C ALA B 24 23.856 12.848 3.755 1.00 63.14 C ATOM 1928 O ALA B 24 23.771 11.940 2.927 1.00 31.23 O ATOM 1929 CB ALA B 24 25.287 14.667 2.808 1.00 65.45 C ATOM 0 H ALA B 24 24.241 15.834 4.706 1.00 31.24 H new ATOM 0 HA ALA B 24 23.184 14.432 2.499 1.00 75.43 H new ATOM 0 HB1 ALA B 24 25.565 13.995 1.996 1.00 65.45 H new ATOM 0 HB2 ALA B 24 25.286 15.694 2.444 1.00 65.45 H new ATOM 0 HB3 ALA B 24 26.006 14.571 3.621 1.00 65.45 H new ATOM 1935 N ASP B 25 23.917 12.629 5.063 1.00 53.33 N ATOM 1936 CA ASP B 25 23.886 11.279 5.616 1.00 63.20 C ATOM 1937 C ASP B 25 22.603 11.045 6.408 1.00 41.34 C ATOM 1938 O ASP B 25 22.374 9.953 6.929 1.00 55.50 O ATOM 1939 CB ASP B 25 25.104 11.044 6.511 1.00 35.03 C ATOM 1940 CG ASP B 25 26.117 10.110 5.877 1.00 31.34 C ATOM 1941 OD1 ASP B 25 26.761 10.518 4.888 1.00 43.25 O ATOM 1942 OD2 ASP B 25 26.265 8.972 6.370 1.00 75.51 O ATOM 0 H ASP B 25 23.988 13.369 5.761 1.00 53.33 H new ATOM 0 HA ASP B 25 23.913 10.572 4.787 1.00 63.20 H new ATOM 0 HB2 ASP B 25 25.581 12.000 6.728 1.00 35.03 H new ATOM 0 HB3 ASP B 25 24.776 10.627 7.464 1.00 35.03 H new ATOM 1947 N LEU B 26 21.773 12.078 6.496 1.00 71.41 N ATOM 1948 CA LEU B 26 20.513 11.985 7.225 1.00 64.24 C ATOM 1949 C LEU B 26 19.340 11.810 6.266 1.00 43.13 C ATOM 1950 O LEU B 26 18.264 11.360 6.660 1.00 10.22 O ATOM 1951 CB LEU B 26 20.304 13.235 8.082 1.00 4.31 C ATOM 1952 CG LEU B 26 20.671 13.106 9.560 1.00 10.30 C ATOM 1953 CD1 LEU B 26 21.921 13.913 9.874 1.00 61.54 C ATOM 1954 CD2 LEU B 26 19.511 13.552 10.439 1.00 62.25 C ATOM 0 H LEU B 26 21.949 12.989 6.072 1.00 71.41 H new ATOM 0 HA LEU B 26 20.561 11.110 7.874 1.00 64.24 H new ATOM 0 HB2 LEU B 26 20.890 14.047 7.653 1.00 4.31 H new ATOM 0 HB3 LEU B 26 19.256 13.527 8.013 1.00 4.31 H new ATOM 0 HG LEU B 26 20.879 12.057 9.772 1.00 10.30 H new ATOM 0 HD11 LEU B 26 22.166 13.808 10.931 1.00 61.54 H new ATOM 0 HD12 LEU B 26 22.752 13.546 9.271 1.00 61.54 H new ATOM 0 HD13 LEU B 26 21.743 14.964 9.645 1.00 61.54 H new ATOM 0 HD21 LEU B 26 19.790 13.453 11.488 1.00 62.25 H new ATOM 0 HD22 LEU B 26 19.271 14.593 10.224 1.00 62.25 H new ATOM 0 HD23 LEU B 26 18.640 12.929 10.235 1.00 62.25 H new ATOM 1966 N THR B 27 19.555 12.167 5.004 1.00 72.41 N ATOM 1967 CA THR B 27 18.517 12.049 3.988 1.00 53.05 C ATOM 1968 C THR B 27 18.903 11.027 2.924 1.00 51.22 C ATOM 1969 O THR B 27 18.043 10.478 2.237 1.00 32.24 O ATOM 1970 CB THR B 27 18.239 13.403 3.308 1.00 52.21 C ATOM 1971 OG1 THR B 27 19.345 13.767 2.473 1.00 2.43 O ATOM 1972 CG2 THR B 27 18.000 14.490 4.344 1.00 64.34 C ATOM 0 H THR B 27 20.440 12.541 4.661 1.00 72.41 H new ATOM 0 HA THR B 27 17.613 11.715 4.497 1.00 53.05 H new ATOM 0 HB THR B 27 17.341 13.301 2.698 1.00 52.21 H new ATOM 0 HG1 THR B 27 20.115 14.000 3.033 1.00 2.43 H new ATOM 0 HG21 THR B 27 17.806 15.437 3.840 1.00 64.34 H new ATOM 0 HG22 THR B 27 17.141 14.224 4.959 1.00 64.34 H new ATOM 0 HG23 THR B 27 18.882 14.590 4.977 1.00 64.34 H new ATOM 1980 N GLY B 28 20.202 10.778 2.794 1.00 31.12 N ATOM 1981 CA GLY B 28 20.679 9.823 1.810 1.00 0.51 C ATOM 1982 C GLY B 28 21.179 10.492 0.546 1.00 21.43 C ATOM 1983 O GLY B 28 21.265 9.860 -0.507 1.00 31.15 O ATOM 0 H GLY B 28 20.933 11.220 3.352 1.00 31.12 H new ATOM 0 HA2 GLY B 28 21.483 9.229 2.245 1.00 0.51 H new ATOM 0 HA3 GLY B 28 19.874 9.133 1.558 1.00 0.51 H new ATOM 1987 N VAL B 29 21.507 11.776 0.648 1.00 41.33 N ATOM 1988 CA VAL B 29 22.001 12.532 -0.497 1.00 64.40 C ATOM 1989 C VAL B 29 23.524 12.522 -0.549 1.00 1.32 C ATOM 1990 O VAL B 29 24.205 12.668 0.467 1.00 12.41 O ATOM 1991 CB VAL B 29 21.509 13.992 -0.459 1.00 61.44 C ATOM 1992 CG1 VAL B 29 22.546 14.920 -1.071 1.00 50.43 C ATOM 1993 CG2 VAL B 29 20.174 14.123 -1.178 1.00 55.14 C ATOM 0 H VAL B 29 21.440 12.314 1.512 1.00 41.33 H new ATOM 0 HA VAL B 29 21.608 12.046 -1.390 1.00 64.40 H new ATOM 0 HB VAL B 29 21.365 14.282 0.582 1.00 61.44 H new ATOM 0 HG11 VAL B 29 22.182 15.947 -1.036 1.00 50.43 H new ATOM 0 HG12 VAL B 29 23.477 14.846 -0.509 1.00 50.43 H new ATOM 0 HG13 VAL B 29 22.724 14.634 -2.108 1.00 50.43 H new ATOM 0 HG21 VAL B 29 19.841 15.160 -1.142 1.00 55.14 H new ATOM 0 HG22 VAL B 29 20.289 13.815 -2.217 1.00 55.14 H new ATOM 0 HG23 VAL B 29 19.434 13.488 -0.691 1.00 55.14 H new ATOM 2003 N PRO B 30 24.074 12.345 -1.758 1.00 64.31 N ATOM 2004 CA PRO B 30 25.524 12.312 -1.972 1.00 44.21 C ATOM 2005 C PRO B 30 26.171 13.677 -1.769 1.00 55.44 C ATOM 2006 O PRO B 30 25.809 14.651 -2.432 1.00 52.10 O ATOM 2007 CB PRO B 30 25.659 11.867 -3.430 1.00 72.05 C ATOM 2008 CG PRO B 30 24.382 12.287 -4.073 1.00 25.14 C ATOM 2009 CD PRO B 30 23.324 12.163 -3.013 1.00 2.43 C ATOM 0 HA PRO B 30 26.025 11.652 -1.264 1.00 44.21 H new ATOM 0 HB2 PRO B 30 26.517 12.337 -3.910 1.00 72.05 H new ATOM 0 HB3 PRO B 30 25.804 10.789 -3.503 1.00 72.05 H new ATOM 0 HG2 PRO B 30 24.448 13.311 -4.440 1.00 25.14 H new ATOM 0 HG3 PRO B 30 24.151 11.655 -4.931 1.00 25.14 H new ATOM 0 HD2 PRO B 30 22.548 12.919 -3.130 1.00 2.43 H new ATOM 0 HD3 PRO B 30 22.831 11.191 -3.049 1.00 2.43 H new ATOM 2017 N TYR B 31 27.130 13.743 -0.852 1.00 55.04 N ATOM 2018 CA TYR B 31 27.825 14.991 -0.561 1.00 73.24 C ATOM 2019 C TYR B 31 28.548 15.512 -1.799 1.00 50.10 C ATOM 2020 O TYR B 31 28.774 16.714 -1.941 1.00 14.12 O ATOM 2021 CB TYR B 31 28.824 14.788 0.580 1.00 71.51 C ATOM 2022 CG TYR B 31 29.612 16.033 0.923 1.00 71.30 C ATOM 2023 CD1 TYR B 31 30.743 16.385 0.200 1.00 11.35 C ATOM 2024 CD2 TYR B 31 29.221 16.857 1.972 1.00 4.21 C ATOM 2025 CE1 TYR B 31 31.465 17.521 0.511 1.00 75.30 C ATOM 2026 CE2 TYR B 31 29.937 17.996 2.289 1.00 23.24 C ATOM 2027 CZ TYR B 31 31.058 18.323 1.556 1.00 13.24 C ATOM 2028 OH TYR B 31 31.775 19.455 1.869 1.00 2.20 O ATOM 0 H TYR B 31 27.444 12.946 -0.297 1.00 55.04 H new ATOM 0 HA TYR B 31 27.083 15.730 -0.258 1.00 73.24 H new ATOM 0 HB2 TYR B 31 28.287 14.452 1.467 1.00 71.51 H new ATOM 0 HB3 TYR B 31 29.518 13.993 0.307 1.00 71.51 H new ATOM 0 HD1 TYR B 31 31.064 15.760 -0.620 1.00 11.35 H new ATOM 0 HD2 TYR B 31 28.344 16.603 2.549 1.00 4.21 H new ATOM 0 HE1 TYR B 31 32.344 17.779 -0.061 1.00 75.30 H new ATOM 0 HE2 TYR B 31 29.620 18.626 3.107 1.00 23.24 H new ATOM 0 HH TYR B 31 32.196 19.810 1.058 1.00 2.20 H new ATOM 2038 N GLY B 32 28.909 14.598 -2.695 1.00 45.13 N ATOM 2039 CA GLY B 32 29.602 14.984 -3.910 1.00 74.01 C ATOM 2040 C GLY B 32 28.756 15.870 -4.803 1.00 73.43 C ATOM 2041 O GLY B 32 29.276 16.750 -5.492 1.00 1.33 O ATOM 0 H GLY B 32 28.734 13.598 -2.601 1.00 45.13 H new ATOM 0 HA2 GLY B 32 30.521 15.508 -3.649 1.00 74.01 H new ATOM 0 HA3 GLY B 32 29.891 14.088 -4.460 1.00 74.01 H new ATOM 2045 N THR B 33 27.448 15.638 -4.796 1.00 10.04 N ATOM 2046 CA THR B 33 26.528 16.420 -5.614 1.00 11.04 C ATOM 2047 C THR B 33 25.797 17.462 -4.777 1.00 2.51 C ATOM 2048 O THR B 33 25.372 18.498 -5.289 1.00 23.25 O ATOM 2049 CB THR B 33 25.491 15.518 -6.311 1.00 3.23 C ATOM 2050 OG1 THR B 33 26.112 14.303 -6.746 1.00 14.15 O ATOM 2051 CG2 THR B 33 24.868 16.231 -7.502 1.00 42.22 C ATOM 0 H THR B 33 27.001 14.915 -4.233 1.00 10.04 H new ATOM 0 HA THR B 33 27.129 16.924 -6.371 1.00 11.04 H new ATOM 0 HB THR B 33 24.703 15.286 -5.594 1.00 3.23 H new ATOM 0 HG1 THR B 33 25.446 13.735 -7.186 1.00 14.15 H new ATOM 0 HG21 THR B 33 24.139 15.575 -7.978 1.00 42.22 H new ATOM 0 HG22 THR B 33 24.371 17.140 -7.163 1.00 42.22 H new ATOM 0 HG23 THR B 33 25.647 16.490 -8.219 1.00 42.22 H new ATOM 2059 N LEU B 34 25.655 17.184 -3.485 1.00 5.42 N ATOM 2060 CA LEU B 34 24.976 18.099 -2.575 1.00 11.23 C ATOM 2061 C LEU B 34 25.590 19.493 -2.646 1.00 53.41 C ATOM 2062 O LEU B 34 24.880 20.498 -2.600 1.00 25.43 O ATOM 2063 CB LEU B 34 25.048 17.570 -1.141 1.00 44.11 C ATOM 2064 CG LEU B 34 24.531 18.510 -0.053 1.00 20.43 C ATOM 2065 CD1 LEU B 34 23.010 18.503 -0.019 1.00 30.33 C ATOM 2066 CD2 LEU B 34 25.098 18.120 1.304 1.00 54.42 C ATOM 0 H LEU B 34 26.001 16.332 -3.045 1.00 5.42 H new ATOM 0 HA LEU B 34 23.931 18.166 -2.879 1.00 11.23 H new ATOM 0 HB2 LEU B 34 24.482 16.640 -1.089 1.00 44.11 H new ATOM 0 HB3 LEU B 34 26.086 17.324 -0.917 1.00 44.11 H new ATOM 0 HG LEU B 34 24.864 19.521 -0.286 1.00 20.43 H new ATOM 0 HD11 LEU B 34 22.660 19.178 0.762 1.00 30.33 H new ATOM 0 HD12 LEU B 34 22.623 18.832 -0.983 1.00 30.33 H new ATOM 0 HD13 LEU B 34 22.655 17.493 0.189 1.00 30.33 H new ATOM 0 HD21 LEU B 34 24.719 18.801 2.066 1.00 54.42 H new ATOM 0 HD22 LEU B 34 24.796 17.101 1.545 1.00 54.42 H new ATOM 0 HD23 LEU B 34 26.186 18.179 1.274 1.00 54.42 H new ATOM 2078 N SER B 35 26.913 19.547 -2.761 1.00 61.31 N ATOM 2079 CA SER B 35 27.624 20.818 -2.837 1.00 34.14 C ATOM 2080 C SER B 35 27.027 21.709 -3.923 1.00 4.52 C ATOM 2081 O SER B 35 27.016 22.934 -3.799 1.00 30.41 O ATOM 2082 CB SER B 35 29.108 20.580 -3.115 1.00 14.21 C ATOM 2083 OG SER B 35 29.332 20.290 -4.484 1.00 62.41 O ATOM 0 H SER B 35 27.515 18.725 -2.804 1.00 61.31 H new ATOM 0 HA SER B 35 27.519 21.324 -1.877 1.00 34.14 H new ATOM 0 HB2 SER B 35 29.681 21.462 -2.829 1.00 14.21 H new ATOM 0 HB3 SER B 35 29.468 19.754 -2.502 1.00 14.21 H new ATOM 0 HG SER B 35 29.381 21.127 -4.992 1.00 62.41 H new ATOM 2089 N TYR B 36 26.533 21.084 -4.986 1.00 41.34 N ATOM 2090 CA TYR B 36 25.937 21.819 -6.096 1.00 34.30 C ATOM 2091 C TYR B 36 24.438 22.006 -5.883 1.00 45.21 C ATOM 2092 O TYR B 36 23.828 22.917 -6.443 1.00 45.01 O ATOM 2093 CB TYR B 36 26.189 21.085 -7.414 1.00 40.31 C ATOM 2094 CG TYR B 36 27.610 20.598 -7.574 1.00 34.30 C ATOM 2095 CD1 TYR B 36 28.687 21.444 -7.340 1.00 45.14 C ATOM 2096 CD2 TYR B 36 27.878 19.289 -7.957 1.00 32.43 C ATOM 2097 CE1 TYR B 36 29.988 21.003 -7.486 1.00 64.54 C ATOM 2098 CE2 TYR B 36 29.175 18.838 -8.105 1.00 62.53 C ATOM 2099 CZ TYR B 36 30.227 19.699 -7.868 1.00 62.20 C ATOM 2100 OH TYR B 36 31.521 19.254 -8.012 1.00 51.03 O ATOM 0 H TYR B 36 26.533 20.071 -5.103 1.00 41.34 H new ATOM 0 HA TYR B 36 26.404 22.803 -6.140 1.00 34.30 H new ATOM 0 HB2 TYR B 36 25.512 20.233 -7.481 1.00 40.31 H new ATOM 0 HB3 TYR B 36 25.946 21.750 -8.243 1.00 40.31 H new ATOM 0 HD1 TYR B 36 28.504 22.465 -7.039 1.00 45.14 H new ATOM 0 HD2 TYR B 36 27.057 18.612 -8.142 1.00 32.43 H new ATOM 0 HE1 TYR B 36 30.813 21.675 -7.302 1.00 64.54 H new ATOM 0 HE2 TYR B 36 29.365 17.818 -8.404 1.00 62.53 H new ATOM 0 HH TYR B 36 31.515 18.313 -8.285 1.00 51.03 H new ATOM 2110 N TYR B 37 23.851 21.138 -5.068 1.00 23.03 N ATOM 2111 CA TYR B 37 22.423 21.205 -4.781 1.00 71.53 C ATOM 2112 C TYR B 37 22.069 22.510 -4.074 1.00 1.34 C ATOM 2113 O TYR B 37 21.475 23.408 -4.669 1.00 12.02 O ATOM 2114 CB TYR B 37 21.997 20.014 -3.919 1.00 44.25 C ATOM 2115 CG TYR B 37 21.636 18.784 -4.721 1.00 22.43 C ATOM 2116 CD1 TYR B 37 22.273 18.503 -5.923 1.00 52.14 C ATOM 2117 CD2 TYR B 37 20.659 17.903 -4.274 1.00 15.42 C ATOM 2118 CE1 TYR B 37 21.946 17.382 -6.660 1.00 2.53 C ATOM 2119 CE2 TYR B 37 20.326 16.777 -5.004 1.00 0.41 C ATOM 2120 CZ TYR B 37 20.972 16.521 -6.196 1.00 71.12 C ATOM 2121 OH TYR B 37 20.644 15.402 -6.925 1.00 2.50 O ATOM 0 H TYR B 37 24.341 20.380 -4.594 1.00 23.03 H new ATOM 0 HA TYR B 37 21.887 21.169 -5.729 1.00 71.53 H new ATOM 0 HB2 TYR B 37 22.806 19.765 -3.233 1.00 44.25 H new ATOM 0 HB3 TYR B 37 21.141 20.305 -3.310 1.00 44.25 H new ATOM 0 HD1 TYR B 37 23.038 19.173 -6.288 1.00 52.14 H new ATOM 0 HD2 TYR B 37 20.152 18.101 -3.341 1.00 15.42 H new ATOM 0 HE1 TYR B 37 22.449 17.180 -7.594 1.00 2.53 H new ATOM 0 HE2 TYR B 37 19.564 16.102 -4.643 1.00 0.41 H new ATOM 0 HH TYR B 37 19.942 14.902 -6.459 1.00 2.50 H new ATOM 2131 N GLU B 38 22.441 22.606 -2.801 1.00 43.22 N ATOM 2132 CA GLU B 38 22.164 23.801 -2.012 1.00 44.31 C ATOM 2133 C GLU B 38 22.784 25.035 -2.660 1.00 24.45 C ATOM 2134 O GLU B 38 22.343 26.160 -2.424 1.00 42.22 O ATOM 2135 CB GLU B 38 22.698 23.635 -0.589 1.00 11.21 C ATOM 2136 CG GLU B 38 24.196 23.378 -0.527 1.00 54.50 C ATOM 2137 CD GLU B 38 24.990 24.634 -0.223 1.00 35.11 C ATOM 2138 OE1 GLU B 38 24.549 25.422 0.638 1.00 70.20 O ATOM 2139 OE2 GLU B 38 26.054 24.825 -0.847 1.00 63.32 O ATOM 0 H GLU B 38 22.935 21.871 -2.294 1.00 43.22 H new ATOM 0 HA GLU B 38 21.083 23.937 -1.972 1.00 44.31 H new ATOM 0 HB2 GLU B 38 22.468 24.534 -0.016 1.00 11.21 H new ATOM 0 HB3 GLU B 38 22.176 22.808 -0.108 1.00 11.21 H new ATOM 0 HG2 GLU B 38 24.401 22.629 0.238 1.00 54.50 H new ATOM 0 HG3 GLU B 38 24.530 22.963 -1.478 1.00 54.50 H new ATOM 2146 N SER B 39 23.809 24.817 -3.477 1.00 53.34 N ATOM 2147 CA SER B 39 24.493 25.911 -4.156 1.00 70.11 C ATOM 2148 C SER B 39 23.652 26.443 -5.312 1.00 24.54 C ATOM 2149 O SER B 39 23.970 27.474 -5.902 1.00 41.42 O ATOM 2150 CB SER B 39 25.856 25.445 -4.673 1.00 1.22 C ATOM 2151 OG SER B 39 26.327 26.296 -5.704 1.00 11.15 O ATOM 0 H SER B 39 24.184 23.892 -3.685 1.00 53.34 H new ATOM 0 HA SER B 39 24.641 26.717 -3.437 1.00 70.11 H new ATOM 0 HB2 SER B 39 26.574 25.430 -3.853 1.00 1.22 H new ATOM 0 HB3 SER B 39 25.777 24.424 -5.047 1.00 1.22 H new ATOM 0 HG SER B 39 25.751 27.086 -5.765 1.00 11.15 H new ATOM 2157 N GLY B 40 22.576 25.730 -5.631 1.00 41.23 N ATOM 2158 CA GLY B 40 21.705 26.145 -6.715 1.00 73.32 C ATOM 2159 C GLY B 40 22.375 26.037 -8.070 1.00 71.50 C ATOM 2160 O GLY B 40 21.992 26.726 -9.016 1.00 64.32 O ATOM 0 H GLY B 40 22.292 24.872 -5.158 1.00 41.23 H new ATOM 0 HA2 GLY B 40 20.804 25.531 -6.709 1.00 73.32 H new ATOM 0 HA3 GLY B 40 21.390 27.175 -6.550 1.00 73.32 H new ATOM 2164 N ARG B 41 23.380 25.172 -8.165 1.00 73.33 N ATOM 2165 CA ARG B 41 24.106 24.979 -9.414 1.00 73.31 C ATOM 2166 C ARG B 41 23.204 24.365 -10.479 1.00 30.24 C ATOM 2167 O ARG B 41 23.402 24.578 -11.675 1.00 23.15 O ATOM 2168 CB ARG B 41 25.326 24.084 -9.186 1.00 2.45 C ATOM 2169 CG ARG B 41 26.531 24.470 -10.027 1.00 71.20 C ATOM 2170 CD ARG B 41 27.410 25.483 -9.310 1.00 3.45 C ATOM 2171 NE ARG B 41 28.699 25.657 -9.975 1.00 73.34 N ATOM 2172 CZ ARG B 41 29.738 26.265 -9.415 1.00 44.45 C ATOM 2173 NH1 ARG B 41 29.642 26.754 -8.186 1.00 73.10 N ATOM 2174 NH2 ARG B 41 30.878 26.383 -10.084 1.00 72.43 N ATOM 0 H ARG B 41 23.710 24.594 -7.392 1.00 73.33 H new ATOM 0 HA ARG B 41 24.440 25.955 -9.765 1.00 73.31 H new ATOM 0 HB2 ARG B 41 25.602 24.122 -8.132 1.00 2.45 H new ATOM 0 HB3 ARG B 41 25.055 23.052 -9.407 1.00 2.45 H new ATOM 0 HG2 ARG B 41 27.115 23.579 -10.258 1.00 71.20 H new ATOM 0 HG3 ARG B 41 26.195 24.886 -10.977 1.00 71.20 H new ATOM 0 HD2 ARG B 41 26.894 26.442 -9.263 1.00 3.45 H new ATOM 0 HD3 ARG B 41 27.573 25.158 -8.282 1.00 3.45 H new ATOM 0 HE ARG B 41 28.807 25.291 -10.921 1.00 73.34 H new ATOM 0 HH11 ARG B 41 28.768 26.664 -7.668 1.00 73.10 H new ATOM 0 HH12 ARG B 41 30.442 27.220 -7.759 1.00 73.10 H new ATOM 0 HH21 ARG B 41 30.956 26.007 -11.029 1.00 72.43 H new ATOM 0 HH22 ARG B 41 31.676 26.850 -9.653 1.00 72.43 H new ATOM 2188 N SER B 42 22.210 23.601 -10.036 1.00 53.33 N ATOM 2189 CA SER B 42 21.279 22.951 -10.951 1.00 23.23 C ATOM 2190 C SER B 42 19.965 22.623 -10.248 1.00 3.44 C ATOM 2191 O SER B 42 19.744 23.019 -9.103 1.00 55.33 O ATOM 2192 CB SER B 42 21.898 21.673 -11.522 1.00 33.02 C ATOM 2193 OG SER B 42 21.615 21.542 -12.903 1.00 14.24 O ATOM 0 H SER B 42 22.029 23.417 -9.049 1.00 53.33 H new ATOM 0 HA SER B 42 21.071 23.642 -11.768 1.00 23.23 H new ATOM 0 HB2 SER B 42 22.977 21.688 -11.369 1.00 33.02 H new ATOM 0 HB3 SER B 42 21.512 20.807 -10.985 1.00 33.02 H new ATOM 0 HG SER B 42 22.023 20.719 -13.244 1.00 14.24 H new ATOM 2199 N THR B 43 19.095 21.898 -10.942 1.00 54.02 N ATOM 2200 CA THR B 43 17.802 21.517 -10.386 1.00 44.13 C ATOM 2201 C THR B 43 17.725 20.011 -10.155 1.00 62.42 C ATOM 2202 O THR B 43 17.677 19.217 -11.093 1.00 42.45 O ATOM 2203 CB THR B 43 16.646 21.943 -11.310 1.00 15.34 C ATOM 2204 OG1 THR B 43 17.117 22.881 -12.285 1.00 15.25 O ATOM 2205 CG2 THR B 43 15.512 22.565 -10.508 1.00 51.13 C ATOM 0 H THR B 43 19.262 21.562 -11.891 1.00 54.02 H new ATOM 0 HA THR B 43 17.704 22.034 -9.431 1.00 44.13 H new ATOM 0 HB THR B 43 16.268 21.054 -11.815 1.00 15.34 H new ATOM 0 HG1 THR B 43 16.376 23.145 -12.869 1.00 15.25 H new ATOM 0 HG21 THR B 43 14.707 22.858 -11.182 1.00 51.13 H new ATOM 0 HG22 THR B 43 15.135 21.839 -9.787 1.00 51.13 H new ATOM 0 HG23 THR B 43 15.880 23.444 -9.979 1.00 51.13 H new ATOM 2213 N PRO B 44 17.710 19.609 -8.875 1.00 34.10 N ATOM 2214 CA PRO B 44 17.638 18.196 -8.492 1.00 64.22 C ATOM 2215 C PRO B 44 16.278 17.581 -8.803 1.00 65.12 C ATOM 2216 O PRO B 44 15.307 18.277 -9.103 1.00 43.23 O ATOM 2217 CB PRO B 44 17.877 18.227 -6.980 1.00 42.35 C ATOM 2218 CG PRO B 44 17.445 19.587 -6.555 1.00 43.14 C ATOM 2219 CD PRO B 44 17.764 20.501 -7.706 1.00 4.14 C ATOM 0 HA PRO B 44 18.358 17.587 -9.039 1.00 64.22 H new ATOM 0 HB2 PRO B 44 17.302 17.453 -6.473 1.00 42.35 H new ATOM 0 HB3 PRO B 44 18.926 18.053 -6.742 1.00 42.35 H new ATOM 0 HG2 PRO B 44 16.379 19.604 -6.327 1.00 43.14 H new ATOM 0 HG3 PRO B 44 17.970 19.899 -5.652 1.00 43.14 H new ATOM 0 HD2 PRO B 44 17.041 21.313 -7.786 1.00 4.14 H new ATOM 0 HD3 PRO B 44 18.747 20.959 -7.595 1.00 4.14 H new ATOM 2227 N PRO B 45 16.202 16.244 -8.731 1.00 22.42 N ATOM 2228 CA PRO B 45 14.965 15.505 -9.000 1.00 43.51 C ATOM 2229 C PRO B 45 13.913 15.721 -7.918 1.00 62.05 C ATOM 2230 O PRO B 45 14.134 16.464 -6.961 1.00 14.40 O ATOM 2231 CB PRO B 45 15.421 14.044 -9.019 1.00 65.34 C ATOM 2232 CG PRO B 45 16.648 14.019 -8.174 1.00 42.52 C ATOM 2233 CD PRO B 45 17.318 15.350 -8.379 1.00 44.51 C ATOM 0 HA PRO B 45 14.490 15.829 -9.926 1.00 43.51 H new ATOM 0 HB2 PRO B 45 14.651 13.384 -8.619 1.00 65.34 H new ATOM 0 HB3 PRO B 45 15.633 13.708 -10.034 1.00 65.34 H new ATOM 0 HG2 PRO B 45 16.396 13.866 -7.125 1.00 42.52 H new ATOM 0 HG3 PRO B 45 17.307 13.201 -8.466 1.00 42.52 H new ATOM 0 HD2 PRO B 45 17.832 15.684 -7.478 1.00 44.51 H new ATOM 0 HD3 PRO B 45 18.064 15.306 -9.173 1.00 44.51 H new ATOM 2241 N THR B 46 12.766 15.066 -8.074 1.00 11.44 N ATOM 2242 CA THR B 46 11.679 15.187 -7.111 1.00 63.42 C ATOM 2243 C THR B 46 11.773 14.109 -6.037 1.00 5.13 C ATOM 2244 O THR B 46 11.282 14.284 -4.923 1.00 4.01 O ATOM 2245 CB THR B 46 10.304 15.092 -7.799 1.00 52.33 C ATOM 2246 OG1 THR B 46 10.183 16.114 -8.795 1.00 33.31 O ATOM 2247 CG2 THR B 46 9.180 15.229 -6.784 1.00 3.02 C ATOM 0 H THR B 46 12.566 14.446 -8.859 1.00 11.44 H new ATOM 0 HA THR B 46 11.777 16.168 -6.647 1.00 63.42 H new ATOM 0 HB THR B 46 10.226 14.113 -8.272 1.00 52.33 H new ATOM 0 HG1 THR B 46 10.885 15.999 -9.469 1.00 33.31 H new ATOM 0 HG21 THR B 46 8.219 15.159 -7.294 1.00 3.02 H new ATOM 0 HG22 THR B 46 9.258 14.432 -6.045 1.00 3.02 H new ATOM 0 HG23 THR B 46 9.256 16.195 -6.285 1.00 3.02 H new ATOM 2255 N ASP B 47 12.408 12.993 -6.381 1.00 1.43 N ATOM 2256 CA ASP B 47 12.568 11.886 -5.444 1.00 54.30 C ATOM 2257 C ASP B 47 13.550 12.250 -4.335 1.00 63.03 C ATOM 2258 O ASP B 47 13.444 11.759 -3.212 1.00 32.00 O ATOM 2259 CB ASP B 47 13.051 10.635 -6.179 1.00 61.00 C ATOM 2260 CG ASP B 47 12.617 9.355 -5.492 1.00 74.43 C ATOM 2261 OD1 ASP B 47 12.609 9.326 -4.243 1.00 4.34 O ATOM 2262 OD2 ASP B 47 12.285 8.384 -6.202 1.00 53.32 O ATOM 0 H ASP B 47 12.820 12.831 -7.300 1.00 1.43 H new ATOM 0 HA ASP B 47 11.597 11.681 -4.992 1.00 54.30 H new ATOM 0 HB2 ASP B 47 12.666 10.645 -7.199 1.00 61.00 H new ATOM 0 HB3 ASP B 47 14.139 10.656 -6.249 1.00 61.00 H new ATOM 2267 N VAL B 48 14.507 13.114 -4.659 1.00 74.22 N ATOM 2268 CA VAL B 48 15.508 13.544 -3.690 1.00 22.51 C ATOM 2269 C VAL B 48 15.038 14.775 -2.923 1.00 4.50 C ATOM 2270 O VAL B 48 15.144 14.834 -1.699 1.00 11.21 O ATOM 2271 CB VAL B 48 16.852 13.860 -4.374 1.00 0.11 C ATOM 2272 CG1 VAL B 48 17.855 14.389 -3.360 1.00 24.23 C ATOM 2273 CG2 VAL B 48 17.393 12.627 -5.080 1.00 54.21 C ATOM 0 H VAL B 48 14.610 13.530 -5.585 1.00 74.22 H new ATOM 0 HA VAL B 48 15.649 12.718 -2.993 1.00 22.51 H new ATOM 0 HB VAL B 48 16.686 14.635 -5.123 1.00 0.11 H new ATOM 0 HG11 VAL B 48 18.798 14.607 -3.861 1.00 24.23 H new ATOM 0 HG12 VAL B 48 17.467 15.300 -2.905 1.00 24.23 H new ATOM 0 HG13 VAL B 48 18.020 13.639 -2.586 1.00 24.23 H new ATOM 0 HG21 VAL B 48 18.343 12.868 -5.558 1.00 54.21 H new ATOM 0 HG22 VAL B 48 17.545 11.829 -4.353 1.00 54.21 H new ATOM 0 HG23 VAL B 48 16.680 12.298 -5.836 1.00 54.21 H new ATOM 2283 N MET B 49 14.518 15.757 -3.654 1.00 33.43 N ATOM 2284 CA MET B 49 14.030 16.987 -3.042 1.00 40.22 C ATOM 2285 C MET B 49 13.110 16.681 -1.864 1.00 4.22 C ATOM 2286 O MET B 49 13.252 17.259 -0.787 1.00 1.31 O ATOM 2287 CB MET B 49 13.288 17.837 -4.076 1.00 44.14 C ATOM 2288 CG MET B 49 12.650 19.085 -3.490 1.00 51.34 C ATOM 2289 SD MET B 49 10.883 19.189 -3.835 1.00 51.12 S ATOM 2290 CE MET B 49 10.232 18.058 -2.609 1.00 51.15 C ATOM 0 H MET B 49 14.424 15.724 -4.669 1.00 33.43 H new ATOM 0 HA MET B 49 14.890 17.545 -2.673 1.00 40.22 H new ATOM 0 HB2 MET B 49 13.985 18.130 -4.861 1.00 44.14 H new ATOM 0 HB3 MET B 49 12.514 17.230 -4.546 1.00 44.14 H new ATOM 0 HG2 MET B 49 12.807 19.096 -2.411 1.00 51.34 H new ATOM 0 HG3 MET B 49 13.148 19.967 -3.894 1.00 51.34 H new ATOM 0 HE1 MET B 49 9.179 18.279 -2.433 1.00 51.15 H new ATOM 0 HE2 MET B 49 10.333 17.034 -2.969 1.00 51.15 H new ATOM 0 HE3 MET B 49 10.787 18.172 -1.678 1.00 51.15 H new ATOM 2300 N MET B 50 12.167 15.769 -2.077 1.00 73.41 N ATOM 2301 CA MET B 50 11.224 15.386 -1.032 1.00 53.21 C ATOM 2302 C MET B 50 11.928 14.609 0.076 1.00 3.12 C ATOM 2303 O MET B 50 11.512 14.648 1.233 1.00 20.05 O ATOM 2304 CB MET B 50 10.091 14.544 -1.621 1.00 34.20 C ATOM 2305 CG MET B 50 10.531 13.159 -2.068 1.00 34.23 C ATOM 2306 SD MET B 50 9.371 12.399 -3.219 1.00 14.43 S ATOM 2307 CE MET B 50 7.807 12.901 -2.505 1.00 65.11 C ATOM 0 H MET B 50 12.035 15.282 -2.963 1.00 73.41 H new ATOM 0 HA MET B 50 10.805 16.296 -0.604 1.00 53.21 H new ATOM 0 HB2 MET B 50 9.301 14.443 -0.877 1.00 34.20 H new ATOM 0 HB3 MET B 50 9.662 15.072 -2.472 1.00 34.20 H new ATOM 0 HG2 MET B 50 11.511 13.228 -2.539 1.00 34.23 H new ATOM 0 HG3 MET B 50 10.642 12.518 -1.194 1.00 34.23 H new ATOM 0 HE1 MET B 50 7.010 12.267 -2.893 1.00 65.11 H new ATOM 0 HE2 MET B 50 7.854 12.802 -1.420 1.00 65.11 H new ATOM 0 HE3 MET B 50 7.604 13.940 -2.766 1.00 65.11 H new ATOM 2317 N ASN B 51 12.995 13.904 -0.287 1.00 10.42 N ATOM 2318 CA ASN B 51 13.755 13.118 0.677 1.00 73.03 C ATOM 2319 C ASN B 51 14.474 14.023 1.672 1.00 51.31 C ATOM 2320 O ASN B 51 14.976 13.561 2.698 1.00 61.22 O ATOM 2321 CB ASN B 51 14.769 12.227 -0.045 1.00 41.34 C ATOM 2322 CG ASN B 51 14.259 10.813 -0.244 1.00 53.40 C ATOM 2323 OD1 ASN B 51 13.015 10.691 -0.693 1.00 40.12 O flip ATOM 2324 ND2 ASN B 51 14.976 9.843 0.002 1.00 25.24 N flip ATOM 0 H ASN B 51 13.352 13.861 -1.241 1.00 10.42 H new ATOM 0 HA ASN B 51 13.055 12.489 1.226 1.00 73.03 H new ATOM 0 HB2 ASN B 51 15.007 12.664 -1.015 1.00 41.34 H new ATOM 0 HB3 ASN B 51 15.696 12.199 0.528 1.00 41.34 H new ATOM 0 HD21 ASN B 51 15.926 9.985 0.345 1.00 25.24 H new ATOM 0 HD22 ASN B 51 14.620 8.897 -0.138 1.00 25.24 H new ATOM 2331 N ILE B 52 14.521 15.315 1.362 1.00 15.14 N ATOM 2332 CA ILE B 52 15.177 16.285 2.229 1.00 71.33 C ATOM 2333 C ILE B 52 14.172 16.964 3.153 1.00 63.34 C ATOM 2334 O ILE B 52 14.511 17.373 4.265 1.00 22.32 O ATOM 2335 CB ILE B 52 15.915 17.362 1.413 1.00 0.12 C ATOM 2336 CG1 ILE B 52 16.785 16.708 0.336 1.00 22.15 C ATOM 2337 CG2 ILE B 52 16.761 18.234 2.328 1.00 64.33 C ATOM 2338 CD1 ILE B 52 17.491 15.456 0.807 1.00 3.43 C ATOM 0 H ILE B 52 14.112 15.713 0.517 1.00 15.14 H new ATOM 0 HA ILE B 52 15.903 15.733 2.827 1.00 71.33 H new ATOM 0 HB ILE B 52 15.176 17.996 0.923 1.00 0.12 H new ATOM 0 HG12 ILE B 52 16.161 16.462 -0.523 1.00 22.15 H new ATOM 0 HG13 ILE B 52 17.529 17.428 -0.005 1.00 22.15 H new ATOM 0 HG21 ILE B 52 17.276 18.990 1.736 1.00 64.33 H new ATOM 0 HG22 ILE B 52 16.119 18.722 3.061 1.00 64.33 H new ATOM 0 HG23 ILE B 52 17.495 17.615 2.844 1.00 64.33 H new ATOM 0 HD11 ILE B 52 18.089 15.047 -0.008 1.00 3.43 H new ATOM 0 HD12 ILE B 52 18.141 15.699 1.647 1.00 3.43 H new ATOM 0 HD13 ILE B 52 16.753 14.718 1.121 1.00 3.43 H new ATOM 2350 N LEU B 53 12.933 17.081 2.687 1.00 63.51 N ATOM 2351 CA LEU B 53 11.876 17.709 3.473 1.00 30.02 C ATOM 2352 C LEU B 53 11.069 16.663 4.235 1.00 3.01 C ATOM 2353 O LEU B 53 10.343 16.990 5.174 1.00 32.54 O ATOM 2354 CB LEU B 53 10.952 18.520 2.563 1.00 71.32 C ATOM 2355 CG LEU B 53 11.100 20.040 2.639 1.00 24.34 C ATOM 2356 CD1 LEU B 53 12.565 20.439 2.538 1.00 64.42 C ATOM 2357 CD2 LEU B 53 10.288 20.711 1.541 1.00 70.41 C ATOM 0 H LEU B 53 12.636 16.749 1.769 1.00 63.51 H new ATOM 0 HA LEU B 53 12.343 18.378 4.196 1.00 30.02 H new ATOM 0 HB2 LEU B 53 11.125 18.209 1.533 1.00 71.32 H new ATOM 0 HB3 LEU B 53 9.921 18.263 2.804 1.00 71.32 H new ATOM 0 HG LEU B 53 10.718 20.375 3.603 1.00 24.34 H new ATOM 0 HD11 LEU B 53 12.651 21.524 2.594 1.00 64.42 H new ATOM 0 HD12 LEU B 53 13.122 19.988 3.359 1.00 64.42 H new ATOM 0 HD13 LEU B 53 12.972 20.091 1.589 1.00 64.42 H new ATOM 0 HD21 LEU B 53 10.405 21.792 1.611 1.00 70.41 H new ATOM 0 HD22 LEU B 53 10.640 20.370 0.568 1.00 70.41 H new ATOM 0 HD23 LEU B 53 9.236 20.452 1.657 1.00 70.41 H new ATOM 2369 N GLN B 54 11.203 15.405 3.825 1.00 45.30 N ATOM 2370 CA GLN B 54 10.486 14.312 4.471 1.00 4.44 C ATOM 2371 C GLN B 54 11.031 14.057 5.872 1.00 73.55 C ATOM 2372 O GLN B 54 10.374 13.425 6.700 1.00 22.03 O ATOM 2373 CB GLN B 54 10.591 13.039 3.629 1.00 31.43 C ATOM 2374 CG GLN B 54 11.984 12.428 3.621 1.00 54.24 C ATOM 2375 CD GLN B 54 12.014 11.054 2.983 1.00 53.44 C ATOM 2376 OE1 GLN B 54 11.325 10.907 1.858 1.00 62.11 O flip ATOM 2377 NE2 GLN B 54 12.650 10.132 3.497 1.00 32.34 N flip ATOM 0 H GLN B 54 11.801 15.118 3.050 1.00 45.30 H new ATOM 0 HA GLN B 54 9.437 14.597 4.556 1.00 4.44 H new ATOM 0 HB2 GLN B 54 9.882 12.303 4.009 1.00 31.43 H new ATOM 0 HB3 GLN B 54 10.297 13.266 2.604 1.00 31.43 H new ATOM 0 HG2 GLN B 54 12.664 13.089 3.083 1.00 54.24 H new ATOM 0 HG3 GLN B 54 12.352 12.357 4.645 1.00 54.24 H new ATOM 0 HE21 GLN B 54 13.166 10.289 4.363 1.00 32.34 H new ATOM 0 HE22 GLN B 54 12.660 9.212 3.057 1.00 32.34 H new ATOM 2386 N THR B 55 12.238 14.551 6.132 1.00 55.12 N ATOM 2387 CA THR B 55 12.872 14.375 7.432 1.00 13.51 C ATOM 2388 C THR B 55 12.024 14.982 8.544 1.00 42.11 C ATOM 2389 O THR B 55 11.207 15.875 8.318 1.00 72.25 O ATOM 2390 CB THR B 55 14.274 15.014 7.464 1.00 53.41 C ATOM 2391 OG1 THR B 55 14.349 16.079 6.510 1.00 50.54 O ATOM 2392 CG2 THR B 55 15.347 13.979 7.164 1.00 63.21 C ATOM 0 H THR B 55 12.796 15.076 5.459 1.00 55.12 H new ATOM 0 HA THR B 55 12.966 13.301 7.595 1.00 13.51 H new ATOM 0 HB THR B 55 14.446 15.411 8.464 1.00 53.41 H new ATOM 0 HG1 THR B 55 14.642 15.723 5.645 1.00 50.54 H new ATOM 0 HG21 THR B 55 16.328 14.453 7.192 1.00 63.21 H new ATOM 0 HG22 THR B 55 15.306 13.186 7.910 1.00 63.21 H new ATOM 0 HG23 THR B 55 15.177 13.555 6.174 1.00 63.21 H new ATOM 2400 N PRO B 56 12.221 14.488 9.775 1.00 31.25 N ATOM 2401 CA PRO B 56 11.484 14.968 10.948 1.00 41.22 C ATOM 2402 C PRO B 56 11.886 16.384 11.345 1.00 3.50 C ATOM 2403 O PRO B 56 11.074 17.144 11.872 1.00 61.54 O ATOM 2404 CB PRO B 56 11.874 13.974 12.045 1.00 43.23 C ATOM 2405 CG PRO B 56 13.201 13.446 11.622 1.00 22.11 C ATOM 2406 CD PRO B 56 13.178 13.423 10.119 1.00 60.25 C ATOM 0 HA PRO B 56 10.411 15.018 10.762 1.00 41.22 H new ATOM 0 HB2 PRO B 56 11.934 14.461 13.018 1.00 43.23 H new ATOM 0 HB3 PRO B 56 11.139 13.174 12.134 1.00 43.23 H new ATOM 0 HG2 PRO B 56 14.008 14.079 11.990 1.00 22.11 H new ATOM 0 HG3 PRO B 56 13.370 12.447 12.025 1.00 22.11 H new ATOM 0 HD2 PRO B 56 14.165 13.619 9.699 1.00 60.25 H new ATOM 0 HD3 PRO B 56 12.855 12.454 9.737 1.00 60.25 H new ATOM 2414 N GLN B 57 13.143 16.731 11.090 1.00 42.31 N ATOM 2415 CA GLN B 57 13.652 18.057 11.421 1.00 55.32 C ATOM 2416 C GLN B 57 13.209 19.085 10.386 1.00 1.51 C ATOM 2417 O GLN B 57 13.001 20.255 10.708 1.00 23.51 O ATOM 2418 CB GLN B 57 15.179 18.032 11.513 1.00 61.00 C ATOM 2419 CG GLN B 57 15.860 17.651 10.208 1.00 72.54 C ATOM 2420 CD GLN B 57 16.850 16.515 10.376 1.00 74.05 C ATOM 2421 OE1 GLN B 57 17.346 16.266 11.476 1.00 63.42 O ATOM 2422 NE2 GLN B 57 17.142 15.818 9.284 1.00 41.13 N ATOM 0 H GLN B 57 13.828 16.113 10.655 1.00 42.31 H new ATOM 0 HA GLN B 57 13.242 18.345 12.389 1.00 55.32 H new ATOM 0 HB2 GLN B 57 15.532 19.015 11.824 1.00 61.00 H new ATOM 0 HB3 GLN B 57 15.477 17.326 12.288 1.00 61.00 H new ATOM 0 HG2 GLN B 57 15.103 17.363 9.478 1.00 72.54 H new ATOM 0 HG3 GLN B 57 16.377 18.522 9.805 1.00 72.54 H new ATOM 0 HE21 GLN B 57 16.707 16.059 8.393 1.00 41.13 H new ATOM 0 HE22 GLN B 57 17.801 15.041 9.336 1.00 41.13 H new ATOM 2431 N PHE B 58 13.067 18.640 9.141 1.00 72.25 N ATOM 2432 CA PHE B 58 12.650 19.523 8.058 1.00 73.52 C ATOM 2433 C PHE B 58 11.163 19.354 7.761 1.00 1.21 C ATOM 2434 O PHE B 58 10.703 19.637 6.654 1.00 54.13 O ATOM 2435 CB PHE B 58 13.470 19.239 6.797 1.00 21.34 C ATOM 2436 CG PHE B 58 14.904 19.674 6.903 1.00 1.42 C ATOM 2437 CD1 PHE B 58 15.262 20.991 6.668 1.00 51.33 C ATOM 2438 CD2 PHE B 58 15.893 18.764 7.239 1.00 54.32 C ATOM 2439 CE1 PHE B 58 16.580 21.394 6.765 1.00 4.43 C ATOM 2440 CE2 PHE B 58 17.213 19.160 7.338 1.00 23.24 C ATOM 2441 CZ PHE B 58 17.558 20.476 7.099 1.00 13.33 C ATOM 0 H PHE B 58 13.234 17.674 8.858 1.00 72.25 H new ATOM 0 HA PHE B 58 12.825 20.552 8.373 1.00 73.52 H new ATOM 0 HB2 PHE B 58 13.438 18.170 6.585 1.00 21.34 H new ATOM 0 HB3 PHE B 58 13.007 19.746 5.950 1.00 21.34 H new ATOM 0 HD1 PHE B 58 14.502 21.712 6.406 1.00 51.33 H new ATOM 0 HD2 PHE B 58 15.629 17.733 7.426 1.00 54.32 H new ATOM 0 HE1 PHE B 58 16.846 22.424 6.580 1.00 4.43 H new ATOM 0 HE2 PHE B 58 17.974 18.441 7.602 1.00 23.24 H new ATOM 0 HZ PHE B 58 18.590 20.787 7.173 1.00 13.33 H new ATOM 2451 N THR B 59 10.416 18.891 8.757 1.00 3.42 N ATOM 2452 CA THR B 59 8.982 18.682 8.604 1.00 32.14 C ATOM 2453 C THR B 59 8.218 19.994 8.733 1.00 21.44 C ATOM 2454 O THR B 59 7.138 20.156 8.164 1.00 24.22 O ATOM 2455 CB THR B 59 8.444 17.683 9.647 1.00 53.35 C ATOM 2456 OG1 THR B 59 7.088 17.340 9.342 1.00 50.44 O ATOM 2457 CG2 THR B 59 8.522 18.271 11.048 1.00 63.52 C ATOM 0 H THR B 59 10.781 18.653 9.679 1.00 3.42 H new ATOM 0 HA THR B 59 8.828 18.272 7.606 1.00 32.14 H new ATOM 0 HB THR B 59 9.061 16.785 9.612 1.00 53.35 H new ATOM 0 HG1 THR B 59 6.754 16.704 10.008 1.00 50.44 H new ATOM 0 HG21 THR B 59 8.137 17.549 11.768 1.00 63.52 H new ATOM 0 HG22 THR B 59 9.559 18.504 11.287 1.00 63.52 H new ATOM 0 HG23 THR B 59 7.925 19.182 11.094 1.00 63.52 H new ATOM 2465 N LYS B 60 8.784 20.932 9.484 1.00 13.34 N ATOM 2466 CA LYS B 60 8.159 22.233 9.687 1.00 2.41 C ATOM 2467 C LYS B 60 8.347 23.124 8.464 1.00 33.42 C ATOM 2468 O LYS B 60 7.613 24.095 8.273 1.00 21.23 O ATOM 2469 CB LYS B 60 8.746 22.917 10.924 1.00 14.22 C ATOM 2470 CG LYS B 60 9.016 21.964 12.076 1.00 61.42 C ATOM 2471 CD LYS B 60 9.503 22.705 13.310 1.00 54.34 C ATOM 2472 CE LYS B 60 11.009 22.583 13.475 1.00 31.41 C ATOM 2473 NZ LYS B 60 11.440 21.165 13.620 1.00 31.11 N ATOM 0 H LYS B 60 9.677 20.815 9.963 1.00 13.34 H new ATOM 0 HA LYS B 60 7.091 22.075 9.839 1.00 2.41 H new ATOM 0 HB2 LYS B 60 9.677 23.412 10.648 1.00 14.22 H new ATOM 0 HB3 LYS B 60 8.059 23.694 11.260 1.00 14.22 H new ATOM 0 HG2 LYS B 60 8.106 21.415 12.316 1.00 61.42 H new ATOM 0 HG3 LYS B 60 9.762 21.229 11.774 1.00 61.42 H new ATOM 0 HD2 LYS B 60 9.228 23.757 13.236 1.00 54.34 H new ATOM 0 HD3 LYS B 60 9.006 22.307 14.195 1.00 54.34 H new ATOM 0 HE2 LYS B 60 11.506 23.027 12.612 1.00 31.41 H new ATOM 0 HE3 LYS B 60 11.325 23.150 14.351 1.00 31.41 H new ATOM 0 HZ1 LYS B 60 12.307 21.123 14.192 1.00 31.11 H new ATOM 0 HZ2 LYS B 60 10.689 20.620 14.089 1.00 31.11 H new ATOM 0 HZ3 LYS B 60 11.625 20.761 12.680 1.00 31.11 H new ATOM 2487 N TYR B 61 9.331 22.787 7.638 1.00 63.31 N ATOM 2488 CA TYR B 61 9.614 23.557 6.433 1.00 12.35 C ATOM 2489 C TYR B 61 9.337 22.731 5.181 1.00 43.03 C ATOM 2490 O TYR B 61 10.252 22.385 4.434 1.00 15.42 O ATOM 2491 CB TYR B 61 11.069 24.028 6.434 1.00 51.41 C ATOM 2492 CG TYR B 61 11.609 24.326 7.815 1.00 52.31 C ATOM 2493 CD1 TYR B 61 11.305 25.520 8.459 1.00 43.25 C ATOM 2494 CD2 TYR B 61 12.420 23.414 8.477 1.00 24.22 C ATOM 2495 CE1 TYR B 61 11.795 25.797 9.720 1.00 20.34 C ATOM 2496 CE2 TYR B 61 12.914 23.682 9.740 1.00 72.43 C ATOM 2497 CZ TYR B 61 12.600 24.874 10.356 1.00 62.03 C ATOM 2498 OH TYR B 61 13.089 25.145 11.613 1.00 73.32 O ATOM 0 H TYR B 61 9.946 21.986 7.781 1.00 63.31 H new ATOM 0 HA TYR B 61 8.957 24.427 6.426 1.00 12.35 H new ATOM 0 HB2 TYR B 61 11.690 23.263 5.968 1.00 51.41 H new ATOM 0 HB3 TYR B 61 11.152 24.924 5.819 1.00 51.41 H new ATOM 0 HD1 TYR B 61 10.674 26.244 7.964 1.00 43.25 H new ATOM 0 HD2 TYR B 61 12.669 22.479 7.997 1.00 24.22 H new ATOM 0 HE1 TYR B 61 11.550 26.730 10.205 1.00 20.34 H new ATOM 0 HE2 TYR B 61 13.543 22.961 10.241 1.00 72.43 H new ATOM 0 HH TYR B 61 13.637 24.393 11.920 1.00 73.32 H new ATOM 2508 N THR B 62 8.064 22.420 4.956 1.00 34.42 N ATOM 2509 CA THR B 62 7.662 21.635 3.795 1.00 72.42 C ATOM 2510 C THR B 62 7.059 22.523 2.712 1.00 31.24 C ATOM 2511 O THR B 62 7.616 22.656 1.622 1.00 31.52 O ATOM 2512 CB THR B 62 6.642 20.547 4.178 1.00 33.53 C ATOM 2513 OG1 THR B 62 6.591 20.403 5.602 1.00 23.01 O ATOM 2514 CG2 THR B 62 7.009 19.214 3.542 1.00 4.41 C ATOM 0 H THR B 62 7.293 22.700 5.563 1.00 34.42 H new ATOM 0 HA THR B 62 8.563 21.158 3.409 1.00 72.42 H new ATOM 0 HB THR B 62 5.663 20.851 3.808 1.00 33.53 H new ATOM 0 HG1 THR B 62 5.988 21.078 5.978 1.00 23.01 H new ATOM 0 HG21 THR B 62 6.274 18.461 3.827 1.00 4.41 H new ATOM 0 HG22 THR B 62 7.019 19.319 2.457 1.00 4.41 H new ATOM 0 HG23 THR B 62 7.996 18.906 3.886 1.00 4.41 H new ATOM 2522 N LEU B 63 5.918 23.129 3.020 1.00 12.13 N ATOM 2523 CA LEU B 63 5.239 24.007 2.073 1.00 1.11 C ATOM 2524 C LEU B 63 5.353 25.466 2.503 1.00 22.24 C ATOM 2525 O LEU B 63 4.784 26.355 1.872 1.00 42.13 O ATOM 2526 CB LEU B 63 3.765 23.613 1.950 1.00 73.21 C ATOM 2527 CG LEU B 63 2.793 24.357 2.867 1.00 75.31 C ATOM 2528 CD1 LEU B 63 1.368 23.881 2.632 1.00 21.21 C ATOM 2529 CD2 LEU B 63 3.186 24.169 4.325 1.00 54.43 C ATOM 0 H LEU B 63 5.444 23.029 3.917 1.00 12.13 H new ATOM 0 HA LEU B 63 5.722 23.896 1.102 1.00 1.11 H new ATOM 0 HB2 LEU B 63 3.452 23.771 0.918 1.00 73.21 H new ATOM 0 HB3 LEU B 63 3.677 22.545 2.150 1.00 73.21 H new ATOM 0 HG LEU B 63 2.843 25.420 2.632 1.00 75.31 H new ATOM 0 HD11 LEU B 63 0.690 24.421 3.293 1.00 21.21 H new ATOM 0 HD12 LEU B 63 1.089 24.067 1.595 1.00 21.21 H new ATOM 0 HD13 LEU B 63 1.302 22.813 2.839 1.00 21.21 H new ATOM 0 HD21 LEU B 63 2.484 24.705 4.963 1.00 54.43 H new ATOM 0 HD22 LEU B 63 3.165 23.108 4.574 1.00 54.43 H new ATOM 0 HD23 LEU B 63 4.191 24.559 4.484 1.00 54.43 H new ATOM 2541 N TRP B 64 6.095 25.703 3.579 1.00 1.21 N ATOM 2542 CA TRP B 64 6.286 27.055 4.092 1.00 43.23 C ATOM 2543 C TRP B 64 6.898 27.959 3.028 1.00 72.02 C ATOM 2544 O TRP B 64 6.743 29.180 3.073 1.00 64.33 O ATOM 2545 CB TRP B 64 7.179 27.029 5.334 1.00 62.22 C ATOM 2546 CG TRP B 64 8.622 27.293 5.032 1.00 4.30 C ATOM 2547 CD1 TRP B 64 9.368 28.355 5.459 1.00 74.40 C ATOM 2548 CD2 TRP B 64 9.494 26.483 4.237 1.00 4.15 C ATOM 2549 NE1 TRP B 64 10.651 28.253 4.976 1.00 54.00 N ATOM 2550 CE2 TRP B 64 10.754 27.113 4.225 1.00 33.35 C ATOM 2551 CE3 TRP B 64 9.334 25.285 3.535 1.00 30.31 C ATOM 2552 CZ2 TRP B 64 11.844 26.584 3.538 1.00 50.25 C ATOM 2553 CZ3 TRP B 64 10.416 24.762 2.854 1.00 42.23 C ATOM 2554 CH2 TRP B 64 11.658 25.411 2.859 1.00 30.42 C ATOM 0 H TRP B 64 6.574 24.977 4.113 1.00 1.21 H new ATOM 0 HA TRP B 64 5.310 27.456 4.364 1.00 43.23 H new ATOM 0 HB2 TRP B 64 6.822 27.774 6.045 1.00 62.22 H new ATOM 0 HB3 TRP B 64 7.088 26.057 5.818 1.00 62.22 H new ATOM 0 HD1 TRP B 64 9.003 29.157 6.084 1.00 74.40 H new ATOM 0 HE1 TRP B 64 11.404 28.919 5.149 1.00 54.00 H new ATOM 0 HE3 TRP B 64 8.381 24.777 3.525 1.00 30.31 H new ATOM 0 HZ2 TRP B 64 12.802 27.082 3.541 1.00 50.25 H new ATOM 0 HZ3 TRP B 64 10.303 23.837 2.308 1.00 42.23 H new ATOM 0 HH2 TRP B 64 12.485 24.977 2.316 1.00 30.42 H new ATOM 2565 N PHE B 65 7.594 27.354 2.072 1.00 3.22 N ATOM 2566 CA PHE B 65 8.230 28.105 0.997 1.00 51.24 C ATOM 2567 C PHE B 65 7.752 27.615 -0.367 1.00 44.13 C ATOM 2568 O PHE B 65 7.694 28.381 -1.328 1.00 61.53 O ATOM 2569 CB PHE B 65 9.753 27.981 1.090 1.00 33.14 C ATOM 2570 CG PHE B 65 10.424 29.221 1.609 1.00 11.11 C ATOM 2571 CD1 PHE B 65 9.860 29.949 2.644 1.00 22.30 C ATOM 2572 CD2 PHE B 65 11.618 29.659 1.059 1.00 2.15 C ATOM 2573 CE1 PHE B 65 10.476 31.090 3.123 1.00 2.32 C ATOM 2574 CE2 PHE B 65 12.239 30.798 1.534 1.00 4.54 C ATOM 2575 CZ PHE B 65 11.667 31.516 2.567 1.00 1.24 C ATOM 0 H PHE B 65 7.732 26.345 2.020 1.00 3.22 H new ATOM 0 HA PHE B 65 7.950 29.153 1.106 1.00 51.24 H new ATOM 0 HB2 PHE B 65 10.002 27.143 1.741 1.00 33.14 H new ATOM 0 HB3 PHE B 65 10.152 27.748 0.103 1.00 33.14 H new ATOM 0 HD1 PHE B 65 8.929 29.621 3.082 1.00 22.30 H new ATOM 0 HD2 PHE B 65 12.068 29.104 0.250 1.00 2.15 H new ATOM 0 HE1 PHE B 65 10.027 31.648 3.931 1.00 2.32 H new ATOM 0 HE2 PHE B 65 13.171 31.127 1.098 1.00 4.54 H new ATOM 0 HZ PHE B 65 12.150 32.408 2.939 1.00 1.24 H new ATOM 2585 N MET B 66 7.411 26.333 -0.442 1.00 55.55 N ATOM 2586 CA MET B 66 6.936 25.740 -1.686 1.00 63.34 C ATOM 2587 C MET B 66 5.819 26.579 -2.298 1.00 2.10 C ATOM 2588 O MET B 66 5.756 26.758 -3.515 1.00 23.20 O ATOM 2589 CB MET B 66 6.442 24.313 -1.442 1.00 52.14 C ATOM 2590 CG MET B 66 6.628 23.391 -2.637 1.00 45.22 C ATOM 2591 SD MET B 66 5.111 22.531 -3.092 1.00 33.32 S ATOM 2592 CE MET B 66 4.231 23.829 -3.957 1.00 54.53 C ATOM 0 H MET B 66 7.455 25.685 0.344 1.00 55.55 H new ATOM 0 HA MET B 66 7.771 25.712 -2.386 1.00 63.34 H new ATOM 0 HB2 MET B 66 6.972 23.896 -0.586 1.00 52.14 H new ATOM 0 HB3 MET B 66 5.385 24.344 -1.179 1.00 52.14 H new ATOM 0 HG2 MET B 66 6.981 23.973 -3.489 1.00 45.22 H new ATOM 0 HG3 MET B 66 7.402 22.658 -2.409 1.00 45.22 H new ATOM 0 HE1 MET B 66 3.263 23.990 -3.483 1.00 54.53 H new ATOM 0 HE2 MET B 66 4.812 24.750 -3.919 1.00 54.53 H new ATOM 0 HE3 MET B 66 4.082 23.537 -4.997 1.00 54.53 H new ATOM 2602 N THR B 67 4.936 27.091 -1.446 1.00 4.01 N ATOM 2603 CA THR B 67 3.819 27.910 -1.902 1.00 64.01 C ATOM 2604 C THR B 67 3.772 29.239 -1.156 1.00 4.11 C ATOM 2605 O THR B 67 2.759 29.938 -1.178 1.00 25.32 O ATOM 2606 CB THR B 67 2.476 27.182 -1.717 1.00 50.32 C ATOM 2607 OG1 THR B 67 2.613 25.803 -2.076 1.00 43.04 O ATOM 2608 CG2 THR B 67 1.389 27.826 -2.563 1.00 73.01 C ATOM 0 H THR B 67 4.973 26.953 -0.436 1.00 4.01 H new ATOM 0 HA THR B 67 3.977 28.098 -2.964 1.00 64.01 H new ATOM 0 HB THR B 67 2.189 27.257 -0.668 1.00 50.32 H new ATOM 0 HG1 THR B 67 1.755 25.346 -1.954 1.00 43.04 H new ATOM 0 HG21 THR B 67 0.449 27.294 -2.415 1.00 73.01 H new ATOM 0 HG22 THR B 67 1.266 28.868 -2.266 1.00 73.01 H new ATOM 0 HG23 THR B 67 1.671 27.779 -3.615 1.00 73.01 H new ATOM 2616 N ASN B 68 4.873 29.582 -0.496 1.00 11.41 N ATOM 2617 CA ASN B 68 4.956 30.829 0.258 1.00 74.22 C ATOM 2618 C ASN B 68 3.823 30.925 1.275 1.00 14.40 C ATOM 2619 O ASN B 68 3.271 32.001 1.502 1.00 0.14 O ATOM 2620 CB ASN B 68 4.907 32.027 -0.693 1.00 72.14 C ATOM 2621 CG ASN B 68 5.675 31.779 -1.977 1.00 24.42 C ATOM 2622 OD1 ASN B 68 5.117 31.296 -2.962 1.00 31.00 O ATOM 2623 ND2 ASN B 68 6.961 32.108 -1.970 1.00 25.24 N ATOM 0 H ASN B 68 5.720 29.015 -0.467 1.00 11.41 H new ATOM 0 HA ASN B 68 5.904 30.839 0.795 1.00 74.22 H new ATOM 0 HB2 ASN B 68 3.868 32.255 -0.933 1.00 72.14 H new ATOM 0 HB3 ASN B 68 5.318 32.903 -0.191 1.00 72.14 H new ATOM 0 HD21 ASN B 68 7.529 31.963 -2.805 1.00 25.24 H new ATOM 0 HD22 ASN B 68 7.381 32.506 -1.130 1.00 25.24 H new ATOM 2630 N GLN B 69 3.484 29.793 1.884 1.00 42.21 N ATOM 2631 CA GLN B 69 2.418 29.751 2.877 1.00 70.13 C ATOM 2632 C GLN B 69 2.850 28.961 4.108 1.00 10.34 C ATOM 2633 O GLN B 69 3.067 27.751 4.034 1.00 41.40 O ATOM 2634 CB GLN B 69 1.156 29.130 2.275 1.00 35.41 C ATOM 2635 CG GLN B 69 -0.125 29.554 2.977 1.00 60.42 C ATOM 2636 CD GLN B 69 -0.639 30.896 2.492 1.00 22.34 C ATOM 2637 OE1 GLN B 69 -1.124 31.019 1.368 1.00 42.13 O ATOM 2638 NE2 GLN B 69 -0.535 31.912 3.341 1.00 14.11 N ATOM 0 H GLN B 69 3.932 28.894 1.707 1.00 42.21 H new ATOM 0 HA GLN B 69 2.201 30.774 3.183 1.00 70.13 H new ATOM 0 HB2 GLN B 69 1.092 29.406 1.222 1.00 35.41 H new ATOM 0 HB3 GLN B 69 1.240 28.044 2.316 1.00 35.41 H new ATOM 0 HG2 GLN B 69 -0.891 28.796 2.816 1.00 60.42 H new ATOM 0 HG3 GLN B 69 0.053 29.604 4.051 1.00 60.42 H new ATOM 0 HE21 GLN B 69 -0.126 31.766 4.264 1.00 14.11 H new ATOM 0 HE22 GLN B 69 -0.864 32.839 3.070 1.00 14.11 H new ATOM 2647 N ILE B 70 2.974 29.651 5.235 1.00 24.34 N ATOM 2648 CA ILE B 70 3.380 29.013 6.481 1.00 24.43 C ATOM 2649 C ILE B 70 2.196 28.333 7.162 1.00 41.10 C ATOM 2650 O ILE B 70 1.152 28.947 7.373 1.00 43.13 O ATOM 2651 CB ILE B 70 4.005 30.028 7.457 1.00 12.12 C ATOM 2652 CG1 ILE B 70 3.048 31.200 7.688 1.00 1.24 C ATOM 2653 CG2 ILE B 70 5.339 30.524 6.922 1.00 40.03 C ATOM 2654 CD1 ILE B 70 2.543 31.296 9.111 1.00 23.21 C ATOM 0 H ILE B 70 2.799 30.653 5.312 1.00 24.34 H new ATOM 0 HA ILE B 70 4.127 28.263 6.222 1.00 24.43 H new ATOM 0 HB ILE B 70 4.181 29.532 8.412 1.00 12.12 H new ATOM 0 HG12 ILE B 70 3.555 32.129 7.427 1.00 1.24 H new ATOM 0 HG13 ILE B 70 2.197 31.102 7.015 1.00 1.24 H new ATOM 0 HG21 ILE B 70 5.768 31.240 7.622 1.00 40.03 H new ATOM 0 HG22 ILE B 70 6.019 29.681 6.803 1.00 40.03 H new ATOM 0 HG23 ILE B 70 5.187 31.007 5.957 1.00 40.03 H new ATOM 0 HD11 ILE B 70 1.870 32.149 9.202 1.00 23.21 H new ATOM 0 HD12 ILE B 70 2.008 30.382 9.370 1.00 23.21 H new ATOM 0 HD13 ILE B 70 3.387 31.426 9.789 1.00 23.21 H new ATOM 2666 N ALA B 71 2.370 27.060 7.504 1.00 31.41 N ATOM 2667 CA ALA B 71 1.317 26.298 8.164 1.00 42.14 C ATOM 2668 C ALA B 71 1.708 25.950 9.597 1.00 13.21 C ATOM 2669 O ALA B 71 2.077 24.818 9.909 1.00 44.11 O ATOM 2670 CB ALA B 71 1.010 25.031 7.378 1.00 21.42 C ATOM 0 H ALA B 71 3.229 26.536 7.335 1.00 31.41 H new ATOM 0 HA ALA B 71 0.421 26.918 8.198 1.00 42.14 H new ATOM 0 HB1 ALA B 71 0.222 24.472 7.882 1.00 21.42 H new ATOM 0 HB2 ALA B 71 0.680 25.297 6.374 1.00 21.42 H new ATOM 0 HB3 ALA B 71 1.908 24.416 7.314 1.00 21.42 H new ATOM 2676 N PRO B 72 1.627 26.946 10.491 1.00 64.10 N ATOM 2677 CA PRO B 72 1.968 26.771 11.905 1.00 11.04 C ATOM 2678 C PRO B 72 0.958 25.898 12.642 1.00 33.42 C ATOM 2679 O PRO B 72 1.271 25.305 13.673 1.00 25.43 O ATOM 2680 CB PRO B 72 1.943 28.198 12.457 1.00 2.43 C ATOM 2681 CG PRO B 72 1.022 28.938 11.550 1.00 51.11 C ATOM 2682 CD PRO B 72 1.197 28.322 10.190 1.00 31.23 C ATOM 0 HA PRO B 72 2.926 26.267 12.032 1.00 11.04 H new ATOM 0 HB2 PRO B 72 1.586 28.218 13.487 1.00 2.43 H new ATOM 0 HB3 PRO B 72 2.939 28.640 12.457 1.00 2.43 H new ATOM 0 HG2 PRO B 72 -0.011 28.852 11.888 1.00 51.11 H new ATOM 0 HG3 PRO B 72 1.263 30.001 11.531 1.00 51.11 H new ATOM 0 HD2 PRO B 72 0.268 28.337 9.620 1.00 31.23 H new ATOM 0 HD3 PRO B 72 1.942 28.856 9.600 1.00 31.23 H new ATOM 2690 N GLU B 73 -0.256 25.823 12.103 1.00 4.23 N ATOM 2691 CA GLU B 73 -1.312 25.022 12.710 1.00 61.34 C ATOM 2692 C GLU B 73 -0.888 23.561 12.827 1.00 54.44 C ATOM 2693 O GLU B 73 -1.380 22.827 13.684 1.00 31.22 O ATOM 2694 CB GLU B 73 -2.599 25.127 11.889 1.00 60.13 C ATOM 2695 CG GLU B 73 -3.664 25.996 12.534 1.00 64.33 C ATOM 2696 CD GLU B 73 -3.991 25.564 13.949 1.00 11.13 C ATOM 2697 OE1 GLU B 73 -4.885 24.708 14.116 1.00 41.10 O ATOM 2698 OE2 GLU B 73 -3.355 26.082 14.891 1.00 33.02 O ATOM 0 H GLU B 73 -0.531 26.307 11.248 1.00 4.23 H new ATOM 0 HA GLU B 73 -1.496 25.410 13.712 1.00 61.34 H new ATOM 0 HB2 GLU B 73 -2.360 25.530 10.905 1.00 60.13 H new ATOM 0 HB3 GLU B 73 -3.003 24.127 11.734 1.00 60.13 H new ATOM 0 HG2 GLU B 73 -3.325 27.032 12.544 1.00 64.33 H new ATOM 0 HG3 GLU B 73 -4.570 25.962 11.929 1.00 64.33 H new ATOM 2705 N SER B 74 0.028 23.145 11.959 1.00 3.13 N ATOM 2706 CA SER B 74 0.516 21.771 11.961 1.00 54.43 C ATOM 2707 C SER B 74 1.989 21.718 12.354 1.00 41.34 C ATOM 2708 O SER B 74 2.612 20.657 12.331 1.00 62.25 O ATOM 2709 CB SER B 74 0.322 21.137 10.581 1.00 12.33 C ATOM 2710 OG SER B 74 -1.020 21.263 10.146 1.00 21.43 O ATOM 0 H SER B 74 0.448 23.740 11.245 1.00 3.13 H new ATOM 0 HA SER B 74 -0.059 21.208 12.697 1.00 54.43 H new ATOM 0 HB2 SER B 74 0.987 21.614 9.861 1.00 12.33 H new ATOM 0 HB3 SER B 74 0.598 20.083 10.620 1.00 12.33 H new ATOM 0 HG SER B 74 -1.495 20.420 10.302 1.00 21.43 H new ATOM 2716 N GLY B 75 2.541 22.873 12.715 1.00 32.12 N ATOM 2717 CA GLY B 75 3.936 22.938 13.109 1.00 40.12 C ATOM 2718 C GLY B 75 4.854 23.245 11.943 1.00 61.53 C ATOM 2719 O GLY B 75 5.903 22.620 11.789 1.00 74.03 O ATOM 0 H GLY B 75 2.046 23.765 12.741 1.00 32.12 H new ATOM 0 HA2 GLY B 75 4.059 23.703 13.875 1.00 40.12 H new ATOM 0 HA3 GLY B 75 4.228 21.988 13.557 1.00 40.12 H new ATOM 2723 N GLN B 76 4.458 24.210 11.118 1.00 5.14 N ATOM 2724 CA GLN B 76 5.253 24.596 9.959 1.00 30.43 C ATOM 2725 C GLN B 76 5.386 26.113 9.871 1.00 1.04 C ATOM 2726 O GLN B 76 4.394 26.825 9.718 1.00 20.13 O ATOM 2727 CB GLN B 76 4.620 24.054 8.677 1.00 34.10 C ATOM 2728 CG GLN B 76 4.114 22.625 8.805 1.00 32.22 C ATOM 2729 CD GLN B 76 3.709 22.028 7.472 1.00 51.40 C ATOM 2730 OE1 GLN B 76 4.609 22.087 6.497 1.00 11.02 O flip ATOM 2731 NE2 GLN B 76 2.598 21.519 7.319 1.00 72.22 N flip ATOM 0 H GLN B 76 3.592 24.738 11.231 1.00 5.14 H new ATOM 0 HA GLN B 76 6.249 24.168 10.074 1.00 30.43 H new ATOM 0 HB2 GLN B 76 3.790 24.700 8.390 1.00 34.10 H new ATOM 0 HB3 GLN B 76 5.353 24.100 7.872 1.00 34.10 H new ATOM 0 HG2 GLN B 76 4.891 22.007 9.254 1.00 32.22 H new ATOM 0 HG3 GLN B 76 3.260 22.605 9.482 1.00 32.22 H new ATOM 0 HE21 GLN B 76 1.937 21.495 8.095 1.00 72.22 H new ATOM 0 HE22 GLN B 76 2.339 21.122 6.416 1.00 72.22 H new ATOM 2740 N ILE B 77 6.619 26.600 9.969 1.00 41.52 N ATOM 2741 CA ILE B 77 6.882 28.032 9.901 1.00 50.31 C ATOM 2742 C ILE B 77 8.229 28.313 9.244 1.00 5.22 C ATOM 2743 O ILE B 77 8.990 27.393 8.949 1.00 61.33 O ATOM 2744 CB ILE B 77 6.860 28.676 11.300 1.00 44.11 C ATOM 2745 CG1 ILE B 77 8.157 28.366 12.048 1.00 70.24 C ATOM 2746 CG2 ILE B 77 5.657 28.185 12.090 1.00 64.41 C ATOM 2747 CD1 ILE B 77 8.408 26.886 12.236 1.00 2.32 C ATOM 0 H ILE B 77 7.451 26.024 10.096 1.00 41.52 H new ATOM 0 HA ILE B 77 6.088 28.470 9.297 1.00 50.31 H new ATOM 0 HB ILE B 77 6.778 29.757 11.185 1.00 44.11 H new ATOM 0 HG12 ILE B 77 8.994 28.802 11.503 1.00 70.24 H new ATOM 0 HG13 ILE B 77 8.127 28.848 13.025 1.00 70.24 H new ATOM 0 HG21 ILE B 77 5.655 28.649 13.076 1.00 64.41 H new ATOM 0 HG22 ILE B 77 4.741 28.452 11.562 1.00 64.41 H new ATOM 0 HG23 ILE B 77 5.711 27.102 12.199 1.00 64.41 H new ATOM 0 HD11 ILE B 77 9.345 26.741 12.774 1.00 2.32 H new ATOM 0 HD12 ILE B 77 7.590 26.448 12.808 1.00 2.32 H new ATOM 0 HD13 ILE B 77 8.470 26.401 11.262 1.00 2.32 H new ATOM 2759 N ALA B 78 8.517 29.591 9.021 1.00 60.23 N ATOM 2760 CA ALA B 78 9.774 29.995 8.404 1.00 30.33 C ATOM 2761 C ALA B 78 10.844 30.256 9.458 1.00 42.43 C ATOM 2762 O ALA B 78 10.602 30.906 10.476 1.00 1.45 O ATOM 2763 CB ALA B 78 9.566 31.230 7.541 1.00 22.31 C ATOM 0 H ALA B 78 7.896 30.365 9.259 1.00 60.23 H new ATOM 0 HA ALA B 78 10.118 29.178 7.770 1.00 30.33 H new ATOM 0 HB1 ALA B 78 10.513 31.520 7.087 1.00 22.31 H new ATOM 0 HB2 ALA B 78 8.841 31.009 6.758 1.00 22.31 H new ATOM 0 HB3 ALA B 78 9.195 32.047 8.159 1.00 22.31 H new ATOM 2769 N PRO B 79 12.058 29.740 9.211 1.00 54.52 N ATOM 2770 CA PRO B 79 13.189 29.906 10.129 1.00 53.33 C ATOM 2771 C PRO B 79 13.700 31.342 10.166 1.00 52.42 C ATOM 2772 O PRO B 79 13.075 32.247 9.615 1.00 11.10 O ATOM 2773 CB PRO B 79 14.255 28.974 9.548 1.00 0.21 C ATOM 2774 CG PRO B 79 13.917 28.866 8.101 1.00 1.12 C ATOM 2775 CD PRO B 79 12.418 28.956 8.019 1.00 63.55 C ATOM 0 HA PRO B 79 12.916 29.676 11.159 1.00 53.33 H new ATOM 0 HB2 PRO B 79 15.256 29.380 9.691 1.00 0.21 H new ATOM 0 HB3 PRO B 79 14.234 27.998 10.033 1.00 0.21 H new ATOM 0 HG2 PRO B 79 14.388 29.666 7.529 1.00 1.12 H new ATOM 0 HG3 PRO B 79 14.275 27.924 7.686 1.00 1.12 H new ATOM 0 HD2 PRO B 79 12.095 29.448 7.102 1.00 63.55 H new ATOM 0 HD3 PRO B 79 11.955 27.969 8.032 1.00 63.55 H new ATOM 2783 N ALA B 80 14.839 31.544 10.820 1.00 25.42 N ATOM 2784 CA ALA B 80 15.435 32.870 10.927 1.00 0.54 C ATOM 2785 C ALA B 80 16.071 33.293 9.608 1.00 35.22 C ATOM 2786 O ALA B 80 15.730 34.336 9.049 1.00 62.14 O ATOM 2787 CB ALA B 80 16.466 32.896 12.045 1.00 73.13 C ATOM 0 H ALA B 80 15.368 30.806 11.284 1.00 25.42 H new ATOM 0 HA ALA B 80 14.642 33.580 11.162 1.00 0.54 H new ATOM 0 HB1 ALA B 80 16.903 33.892 12.114 1.00 73.13 H new ATOM 0 HB2 ALA B 80 15.984 32.645 12.990 1.00 73.13 H new ATOM 0 HB3 ALA B 80 17.250 32.169 11.833 1.00 73.13 H new ATOM 2793 N LEU B 81 16.998 32.479 9.115 1.00 30.02 N ATOM 2794 CA LEU B 81 17.683 32.770 7.860 1.00 34.04 C ATOM 2795 C LEU B 81 16.682 32.968 6.727 1.00 42.43 C ATOM 2796 O LEU B 81 16.928 33.736 5.797 1.00 23.42 O ATOM 2797 CB LEU B 81 18.650 31.637 7.510 1.00 64.45 C ATOM 2798 CG LEU B 81 19.709 31.309 8.563 1.00 64.45 C ATOM 2799 CD1 LEU B 81 19.563 29.871 9.037 1.00 35.40 C ATOM 2800 CD2 LEU B 81 21.106 31.550 8.008 1.00 62.22 C ATOM 0 H LEU B 81 17.293 31.612 9.565 1.00 30.02 H new ATOM 0 HA LEU B 81 18.247 33.694 7.987 1.00 34.04 H new ATOM 0 HB2 LEU B 81 18.068 30.736 7.316 1.00 64.45 H new ATOM 0 HB3 LEU B 81 19.158 31.894 6.581 1.00 64.45 H new ATOM 0 HG LEU B 81 19.560 31.969 9.418 1.00 64.45 H new ATOM 0 HD11 LEU B 81 20.325 29.656 9.786 1.00 35.40 H new ATOM 0 HD12 LEU B 81 18.574 29.731 9.474 1.00 35.40 H new ATOM 0 HD13 LEU B 81 19.685 29.195 8.191 1.00 35.40 H new ATOM 0 HD21 LEU B 81 21.847 31.311 8.771 1.00 62.22 H new ATOM 0 HD22 LEU B 81 21.266 30.915 7.136 1.00 62.22 H new ATOM 0 HD23 LEU B 81 21.207 32.596 7.719 1.00 62.22 H new ATOM 2812 N ALA B 82 15.553 32.273 6.812 1.00 60.51 N ATOM 2813 CA ALA B 82 14.514 32.377 5.796 1.00 44.45 C ATOM 2814 C ALA B 82 14.170 33.834 5.508 1.00 20.32 C ATOM 2815 O ALA B 82 14.181 34.675 6.408 1.00 2.23 O ATOM 2816 CB ALA B 82 13.271 31.615 6.233 1.00 40.20 C ATOM 0 H ALA B 82 15.335 31.632 7.574 1.00 60.51 H new ATOM 0 HA ALA B 82 14.895 31.933 4.876 1.00 44.45 H new ATOM 0 HB1 ALA B 82 12.503 31.701 5.465 1.00 40.20 H new ATOM 0 HB2 ALA B 82 13.521 30.564 6.380 1.00 40.20 H new ATOM 0 HB3 ALA B 82 12.898 32.033 7.168 1.00 40.20 H new