USER MOD reduce.3.24.130724 H: found=0, std=0, add=2001, rem=0, adj=62 USER MOD reduce.3.24.130724 removed 2000 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 125 SER OG : rot -1:sc= 0.0779 USER MOD Set 1.2: B 131 ASN : amide:sc= 0.209! C(o=0.29!,f=-7.9!) USER MOD Set 2.1: B 54 TYR OH : rot -138:sc= 0.259 USER MOD Set 2.2: B 119 HIS : no HE2:sc= -2.37 K(o=-2.1,f=-7.8!) USER MOD Set 3.1: A 21 SER OG : rot -71:sc= 0.336 USER MOD Set 3.2: B 48 GLN :FLIP amide:sc= -5.25! C(o=-6.4!,f=-4.9!) USER MOD Set 4.1: A 126 ASN : amide:sc= -0.0481 K(o=-0.82,f=-2.2!) USER MOD Set 4.2: A 130 ASN : amide:sc= -0.775 X(o=-0.82,f=-1.2) USER MOD Set 5.1: A 80 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: B 10 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: A 55 SER OG : rot -79:sc= 0.673 USER MOD Set 6.2: B 11 SER OG : rot 149:sc= 1.19 USER MOD Set 7.1: A 10 THR OG1 : rot 144:sc= 0.362 USER MOD Set 7.2: A 22 HIS : no HD1:sc= 0.365 K(o=0.73,f=-0.12) USER MOD Set 8.1: A 11 SER OG : rot -134:sc= -0.28 USER MOD Set 8.2: B 55 SER OG : rot -79:sc= 1.64 USER MOD Set 9.1: A 5 TYR OH : rot -61:sc= -0.168 USER MOD Set 9.2: A 7 THR OG1 : rot -120:sc= 0.146 USER MOD Set 9.3: A 25 LYS NZ :NH3+ 180:sc= 0.361 (180deg=-0.243) USER MOD Set 9.4: B 45 ASN : amide:sc= 0.631! C(o=0.97!,f=-7.4!) USER MOD Single : A 1 MET CE :methyl -147:sc= -0.982 (180deg=-2.57) USER MOD Single : A 1 MET N :NH3+ -113:sc= 0.113 (180deg=-0.0805) USER MOD Single : A 2 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 6 LYS NZ :NH3+ 166:sc= 1.26 (180deg=1.19) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -110:sc= -0.177 USER MOD Single : A 24 GLN : amide:sc= 0.156 X(o=0.16,f=-0.23) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot -130:sc= -0.119 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.189 K(o=-0.19,f=-3.2!) USER MOD Single : A 48 GLN : amide:sc= -2.74! C(o=-2.7!,f=-5.9!) USER MOD Single : A 54 TYR OH : rot 110:sc= 1.09 USER MOD Single : A 57 CYS SG : rot -24:sc= -0.673 USER MOD Single : A 60 SER OG : rot 20:sc= 0.583 USER MOD Single : A 62 MET CE :methyl -161:sc= -0.165 (180deg=-0.698) USER MOD Single : A 63 LYS NZ :NH3+ -161:sc= -0.118 (180deg=-0.963) USER MOD Single : A 68 GLN : amide:sc= -1.11 K(o=-1.1,f=-2.4!) USER MOD Single : A 69 ASN : amide:sc= 0.81 K(o=0.81,f=0) USER MOD Single : A 70 LYS NZ :NH3+ -170:sc= 1.18 (180deg=1.04) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 30:sc= 1.23 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.0317 USER MOD Single : A 88 ASN : amide:sc= -0.107 K(o=-0.11,f=-9.7!) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 HIS : no HE2:sc= -0.96 K(o=-0.96,f=-6!) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 122 CYS SG : rot 170:sc= 0 USER MOD Single : A 124 TYR OH : rot 1:sc= 1.24 USER MOD Single : A 128 THR OG1 : rot -43:sc= 0 USER MOD Single : A 131 ASN : amide:sc= -0.0215 X(o=-0.022,f=0) USER MOD Single : B 1 MET CE :methyl -153:sc= -2.93 (180deg=-4.78!) USER MOD Single : B 1 MET N :NH3+ -114:sc= 0.129 (180deg=-0.0729) USER MOD Single : B 2 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : B 5 TYR OH : rot 180:sc= 0 USER MOD Single : B 6 LYS NZ :NH3+ 175:sc= 1.24 (180deg=1.13) USER MOD Single : B 7 THR OG1 : rot 180:sc=-0.00494 USER MOD Single : B 12 THR OG1 : rot -120:sc= 1.03 USER MOD Single : B 20 THR OG1 : rot -111:sc= 0.628 USER MOD Single : B 21 SER OG : rot 170:sc= 0 USER MOD Single : B 22 HIS : no HD1:sc= -0.0765 X(o=-0.077,f=0) USER MOD Single : B 24 GLN : amide:sc= 0.0274 X(o=0.027,f=-0.11) USER MOD Single : B 25 LYS NZ :NH3+ 162:sc= 1.2 (180deg=0.435) USER MOD Single : B 29 LYS NZ :NH3+ -157:sc= 0.154 (180deg=-0.179) USER MOD Single : B 31 SER OG : rot 140:sc= -0.244 USER MOD Single : B 44 THR OG1 : rot 180:sc= 0.0132 USER MOD Single : B 57 CYS SG : rot 180:sc= 0 USER MOD Single : B 60 SER OG : rot -102:sc= 0.575 USER MOD Single : B 62 MET CE :methyl -150:sc= -9.45! (180deg=-10.2!) USER MOD Single : B 63 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0345) USER MOD Single : B 68 GLN : amide:sc= -1.47! C(o=-1.5!,f=-1.5!) USER MOD Single : B 69 ASN : amide:sc= 0.135 X(o=0.13,f=-0.056) USER MOD Single : B 70 LYS NZ :NH3+ 141:sc= 1.02 (180deg=0.195) USER MOD Single : B 71 GLN :FLIP amide:sc= -0.224 F(o=-2.8!,f=-0.22) USER MOD Single : B 72 THR OG1 : rot 40:sc= 0.0244 USER MOD Single : B 77 THR OG1 : rot 65:sc= 0.746 USER MOD Single : B 78 THR OG1 : rot 180:sc= -0.0164 USER MOD Single : B 80 THR OG1 : rot 180:sc= 0 USER MOD Single : B 88 ASN : amide:sc=-0.00469 K(o=-0.0047,f=-11!) USER MOD Single : B 112 LYS NZ :NH3+ -124:sc= -0.0965 (180deg=-0.437) USER MOD Single : B 113 THR OG1 : rot 180:sc= 0 USER MOD Single : B 120 HIS : no HD1:sc= -0.398 K(o=-0.4,f=-1.1) USER MOD Single : B 122 CYS SG : rot 85:sc= 0.713 USER MOD Single : B 124 TYR OH : rot 120:sc=0.000913 USER MOD Single : B 128 THR OG1 : rot 180:sc= 0 USER MOD Single : B 130 ASN : amide:sc= -0.0397 X(o=-0.04,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.523 0.754 0.762 1.00 60.05 N ATOM 2 CA MET A 1 2.575 1.057 -0.238 1.00 3.23 C ATOM 3 C MET A 1 3.180 -0.230 -0.778 1.00 42.13 C ATOM 4 O MET A 1 2.792 -1.328 -0.374 1.00 30.31 O ATOM 5 CB MET A 1 3.682 1.924 0.378 1.00 13.52 C ATOM 6 CG MET A 1 4.443 1.227 1.493 1.00 60.32 C ATOM 7 SD MET A 1 5.738 2.254 2.212 1.00 71.43 S ATOM 8 CE MET A 1 6.922 2.316 0.869 1.00 20.11 C ATOM 0 H1 MET A 1 0.596 1.042 0.389 1.00 60.05 H new ATOM 0 H2 MET A 1 1.515 -0.267 0.959 1.00 60.05 H new ATOM 0 H3 MET A 1 1.719 1.274 1.641 1.00 60.05 H new ATOM 0 HA MET A 1 2.111 1.608 -1.056 1.00 3.23 H new ATOM 0 HB2 MET A 1 4.383 2.215 -0.404 1.00 13.52 H new ATOM 0 HB3 MET A 1 3.241 2.841 0.767 1.00 13.52 H new ATOM 0 HG2 MET A 1 3.743 0.934 2.275 1.00 60.32 H new ATOM 0 HG3 MET A 1 4.888 0.311 1.104 1.00 60.32 H new ATOM 0 HE1 MET A 1 7.932 2.365 1.276 1.00 20.11 H new ATOM 0 HE2 MET A 1 6.822 1.421 0.254 1.00 20.11 H new ATOM 0 HE3 MET A 1 6.734 3.199 0.258 1.00 20.11 H new ATOM 20 N ASN A 2 4.140 -0.089 -1.686 1.00 22.52 N ATOM 21 CA ASN A 2 4.831 -1.235 -2.268 1.00 14.33 C ATOM 22 C ASN A 2 6.197 -1.397 -1.615 1.00 22.14 C ATOM 23 O ASN A 2 7.200 -0.873 -2.100 1.00 72.55 O ATOM 24 CB ASN A 2 4.971 -1.077 -3.791 1.00 31.34 C ATOM 25 CG ASN A 2 5.713 -2.237 -4.439 1.00 75.52 C ATOM 26 OD1 ASN A 2 5.725 -3.356 -3.921 1.00 52.13 O ATOM 27 ND2 ASN A 2 6.312 -1.988 -5.592 1.00 35.23 N ATOM 0 H ASN A 2 4.459 0.814 -2.037 1.00 22.52 H new ATOM 0 HA ASN A 2 4.240 -2.132 -2.081 1.00 14.33 H new ATOM 0 HB2 ASN A 2 3.979 -0.992 -4.235 1.00 31.34 H new ATOM 0 HB3 ASN A 2 5.498 -0.148 -4.008 1.00 31.34 H new ATOM 0 HD21 ASN A 2 6.805 -2.734 -6.082 1.00 35.23 H new ATOM 0 HD22 ASN A 2 6.281 -1.050 -5.991 1.00 35.23 H new ATOM 34 N ILE A 3 6.216 -2.079 -0.479 1.00 0.23 N ATOM 35 CA ILE A 3 7.453 -2.332 0.246 1.00 51.02 C ATOM 36 C ILE A 3 8.351 -3.302 -0.515 1.00 3.13 C ATOM 37 O ILE A 3 7.921 -4.386 -0.913 1.00 22.24 O ATOM 38 CB ILE A 3 7.157 -2.898 1.654 1.00 43.32 C ATOM 39 CG1 ILE A 3 6.358 -1.878 2.472 1.00 25.54 C ATOM 40 CG2 ILE A 3 8.447 -3.276 2.372 1.00 24.42 C ATOM 41 CD1 ILE A 3 7.167 -0.666 2.880 1.00 23.10 C ATOM 0 H ILE A 3 5.384 -2.469 -0.037 1.00 0.23 H new ATOM 0 HA ILE A 3 7.973 -1.379 0.345 1.00 51.02 H new ATOM 0 HB ILE A 3 6.560 -3.804 1.545 1.00 43.32 H new ATOM 0 HG12 ILE A 3 5.497 -1.551 1.889 1.00 25.54 H new ATOM 0 HG13 ILE A 3 5.971 -2.365 3.367 1.00 25.54 H new ATOM 0 HG21 ILE A 3 8.211 -3.671 3.360 1.00 24.42 H new ATOM 0 HG22 ILE A 3 8.976 -4.034 1.795 1.00 24.42 H new ATOM 0 HG23 ILE A 3 9.078 -2.393 2.476 1.00 24.42 H new ATOM 0 HD11 ILE A 3 6.539 0.014 3.456 1.00 23.10 H new ATOM 0 HD12 ILE A 3 8.014 -0.982 3.490 1.00 23.10 H new ATOM 0 HD13 ILE A 3 7.532 -0.155 1.989 1.00 23.10 H new ATOM 53 N LEU A 4 9.594 -2.891 -0.721 1.00 41.13 N ATOM 54 CA LEU A 4 10.602 -3.736 -1.350 1.00 42.04 C ATOM 55 C LEU A 4 11.278 -4.612 -0.302 1.00 41.22 C ATOM 56 O LEU A 4 11.523 -5.800 -0.533 1.00 74.21 O ATOM 57 CB LEU A 4 11.654 -2.877 -2.061 1.00 22.30 C ATOM 58 CG LEU A 4 11.114 -1.961 -3.169 1.00 5.11 C ATOM 59 CD1 LEU A 4 12.221 -1.064 -3.718 1.00 73.22 C ATOM 60 CD2 LEU A 4 10.478 -2.785 -4.291 1.00 52.13 C ATOM 0 H LEU A 4 9.933 -1.965 -0.458 1.00 41.13 H new ATOM 0 HA LEU A 4 10.109 -4.371 -2.086 1.00 42.04 H new ATOM 0 HB2 LEU A 4 12.159 -2.261 -1.317 1.00 22.30 H new ATOM 0 HB3 LEU A 4 12.407 -3.537 -2.493 1.00 22.30 H new ATOM 0 HG LEU A 4 10.343 -1.323 -2.736 1.00 5.11 H new ATOM 0 HD11 LEU A 4 11.816 -0.424 -4.502 1.00 73.22 H new ATOM 0 HD12 LEU A 4 12.620 -0.445 -2.914 1.00 73.22 H new ATOM 0 HD13 LEU A 4 13.019 -1.682 -4.131 1.00 73.22 H new ATOM 0 HD21 LEU A 4 10.102 -2.116 -5.065 1.00 52.13 H new ATOM 0 HD22 LEU A 4 11.225 -3.453 -4.720 1.00 52.13 H new ATOM 0 HD23 LEU A 4 9.654 -3.373 -3.888 1.00 52.13 H new ATOM 72 N TYR A 5 11.573 -4.022 0.855 1.00 24.01 N ATOM 73 CA TYR A 5 12.246 -4.751 1.934 1.00 4.44 C ATOM 74 C TYR A 5 11.643 -4.381 3.283 1.00 12.52 C ATOM 75 O TYR A 5 11.479 -3.209 3.582 1.00 21.34 O ATOM 76 CB TYR A 5 13.752 -4.437 1.931 1.00 54.43 C ATOM 77 CG TYR A 5 14.555 -5.235 2.946 1.00 2.54 C ATOM 78 CD1 TYR A 5 14.633 -4.838 4.279 1.00 4.50 C ATOM 79 CD2 TYR A 5 15.231 -6.390 2.568 1.00 14.20 C ATOM 80 CE1 TYR A 5 15.358 -5.568 5.201 1.00 2.54 C ATOM 81 CE2 TYR A 5 15.959 -7.124 3.486 1.00 4.33 C ATOM 82 CZ TYR A 5 16.018 -6.710 4.801 1.00 33.20 C ATOM 83 OH TYR A 5 16.742 -7.440 5.717 1.00 31.30 O ATOM 0 H TYR A 5 11.359 -3.048 1.071 1.00 24.01 H new ATOM 0 HA TYR A 5 12.106 -5.819 1.767 1.00 4.44 H new ATOM 0 HB2 TYR A 5 14.151 -4.631 0.935 1.00 54.43 H new ATOM 0 HB3 TYR A 5 13.891 -3.374 2.129 1.00 54.43 H new ATOM 0 HD1 TYR A 5 14.118 -3.944 4.597 1.00 4.50 H new ATOM 0 HD2 TYR A 5 15.187 -6.719 1.540 1.00 14.20 H new ATOM 0 HE1 TYR A 5 15.407 -5.245 6.230 1.00 2.54 H new ATOM 0 HE2 TYR A 5 16.479 -8.018 3.175 1.00 4.33 H new ATOM 0 HH TYR A 5 17.459 -6.883 6.086 1.00 31.30 H new ATOM 93 N LYS A 6 11.311 -5.379 4.089 1.00 51.40 N ATOM 94 CA LYS A 6 10.804 -5.145 5.438 1.00 43.32 C ATOM 95 C LYS A 6 11.372 -6.171 6.412 1.00 62.42 C ATOM 96 O LYS A 6 11.461 -7.361 6.097 1.00 13.53 O ATOM 97 CB LYS A 6 9.266 -5.168 5.459 1.00 1.54 C ATOM 98 CG LYS A 6 8.666 -5.095 6.864 1.00 51.03 C ATOM 99 CD LYS A 6 7.179 -4.735 6.852 1.00 30.33 C ATOM 100 CE LYS A 6 6.951 -3.266 6.508 1.00 61.32 C ATOM 101 NZ LYS A 6 5.531 -2.869 6.682 1.00 4.41 N1+ ATOM 0 H LYS A 6 11.383 -6.364 3.833 1.00 51.40 H new ATOM 0 HA LYS A 6 11.131 -4.155 5.755 1.00 43.32 H new ATOM 0 HB2 LYS A 6 8.891 -4.331 4.870 1.00 1.54 H new ATOM 0 HB3 LYS A 6 8.919 -6.080 4.973 1.00 1.54 H new ATOM 0 HG2 LYS A 6 8.799 -6.055 7.362 1.00 51.03 H new ATOM 0 HG3 LYS A 6 9.210 -4.354 7.449 1.00 51.03 H new ATOM 0 HD2 LYS A 6 6.660 -5.362 6.127 1.00 30.33 H new ATOM 0 HD3 LYS A 6 6.746 -4.950 7.829 1.00 30.33 H new ATOM 0 HE2 LYS A 6 7.582 -2.643 7.142 1.00 61.32 H new ATOM 0 HE3 LYS A 6 7.255 -3.083 5.477 1.00 61.32 H new ATOM 0 HZ1 LYS A 6 5.457 -1.832 6.672 1.00 4.41 H new ATOM 0 HZ2 LYS A 6 4.962 -3.264 5.906 1.00 4.41 H new ATOM 0 HZ3 LYS A 6 5.178 -3.232 7.590 1.00 4.41 H new ATOM 115 N THR A 7 11.770 -5.696 7.588 1.00 30.21 N ATOM 116 CA THR A 7 12.324 -6.551 8.635 1.00 33.22 C ATOM 117 C THR A 7 11.832 -6.091 10.019 1.00 54.23 C ATOM 118 O THR A 7 11.667 -4.887 10.266 1.00 73.02 O ATOM 119 CB THR A 7 13.876 -6.561 8.566 1.00 43.13 C ATOM 120 OG1 THR A 7 14.425 -7.541 9.458 1.00 11.53 O ATOM 121 CG2 THR A 7 14.462 -5.187 8.883 1.00 62.33 C ATOM 0 H THR A 7 11.718 -4.710 7.843 1.00 30.21 H new ATOM 0 HA THR A 7 11.975 -7.571 8.475 1.00 33.22 H new ATOM 0 HB THR A 7 14.148 -6.822 7.543 1.00 43.13 H new ATOM 0 HG1 THR A 7 15.007 -7.099 10.111 1.00 11.53 H new ATOM 0 HG21 THR A 7 15.549 -5.233 8.825 1.00 62.33 H new ATOM 0 HG22 THR A 7 14.091 -4.458 8.163 1.00 62.33 H new ATOM 0 HG23 THR A 7 14.165 -4.888 9.888 1.00 62.33 H new ATOM 129 N ALA A 8 11.582 -7.053 10.914 1.00 51.42 N ATOM 130 CA ALA A 8 10.970 -6.766 12.215 1.00 62.45 C ATOM 131 C ALA A 8 11.950 -6.948 13.372 1.00 64.34 C ATOM 132 O ALA A 8 12.747 -7.891 13.392 1.00 4.53 O ATOM 133 CB ALA A 8 9.747 -7.649 12.426 1.00 11.23 C ATOM 0 H ALA A 8 11.795 -8.039 10.760 1.00 51.42 H new ATOM 0 HA ALA A 8 10.670 -5.718 12.205 1.00 62.45 H new ATOM 0 HB1 ALA A 8 9.301 -7.427 13.395 1.00 11.23 H new ATOM 0 HB2 ALA A 8 9.019 -7.456 11.639 1.00 11.23 H new ATOM 0 HB3 ALA A 8 10.045 -8.697 12.395 1.00 11.23 H new ATOM 139 N ALA A 9 11.866 -6.044 14.345 1.00 62.04 N ATOM 140 CA ALA A 9 12.701 -6.088 15.540 1.00 13.24 C ATOM 141 C ALA A 9 11.833 -6.153 16.796 1.00 53.42 C ATOM 142 O ALA A 9 10.957 -5.315 16.998 1.00 45.34 O ATOM 143 CB ALA A 9 13.619 -4.868 15.591 1.00 65.14 C ATOM 0 H ALA A 9 11.215 -5.259 14.326 1.00 62.04 H new ATOM 0 HA ALA A 9 13.317 -6.986 15.499 1.00 13.24 H new ATOM 0 HB1 ALA A 9 14.236 -4.914 16.488 1.00 65.14 H new ATOM 0 HB2 ALA A 9 14.260 -4.858 14.710 1.00 65.14 H new ATOM 0 HB3 ALA A 9 13.016 -3.960 15.612 1.00 65.14 H new ATOM 149 N THR A 10 12.077 -7.155 17.625 1.00 61.23 N ATOM 150 CA THR A 10 11.355 -7.333 18.875 1.00 51.35 C ATOM 151 C THR A 10 12.167 -6.773 20.047 1.00 43.21 C ATOM 152 O THR A 10 13.313 -7.169 20.261 1.00 73.43 O ATOM 153 CB THR A 10 11.068 -8.829 19.131 1.00 34.35 C ATOM 154 OG1 THR A 10 10.339 -9.384 18.025 1.00 3.15 O ATOM 155 CG2 THR A 10 10.283 -9.027 20.426 1.00 70.40 C ATOM 0 H THR A 10 12.783 -7.870 17.450 1.00 61.23 H new ATOM 0 HA THR A 10 10.411 -6.794 18.795 1.00 51.35 H new ATOM 0 HB THR A 10 12.022 -9.346 19.231 1.00 34.35 H new ATOM 0 HG1 THR A 10 10.636 -10.304 17.866 1.00 3.15 H new ATOM 0 HG21 THR A 10 10.096 -10.090 20.579 1.00 70.40 H new ATOM 0 HG22 THR A 10 10.859 -8.635 21.264 1.00 70.40 H new ATOM 0 HG23 THR A 10 9.333 -8.497 20.360 1.00 70.40 H new ATOM 163 N SER A 11 11.575 -5.848 20.789 1.00 71.32 N ATOM 164 CA SER A 11 12.213 -5.274 21.968 1.00 2.43 C ATOM 165 C SER A 11 11.356 -5.507 23.213 1.00 11.12 C ATOM 166 O SER A 11 10.149 -5.272 23.207 1.00 53.54 O ATOM 167 CB SER A 11 12.462 -3.779 21.748 1.00 22.21 C ATOM 168 OG SER A 11 11.315 -3.147 21.216 1.00 52.01 O ATOM 0 H SER A 11 10.646 -5.476 20.594 1.00 71.32 H new ATOM 0 HA SER A 11 13.172 -5.768 22.126 1.00 2.43 H new ATOM 0 HB2 SER A 11 12.735 -3.309 22.693 1.00 22.21 H new ATOM 0 HB3 SER A 11 13.304 -3.643 21.069 1.00 22.21 H new ATOM 0 HG SER A 11 11.577 -2.569 20.469 1.00 52.01 H new ATOM 174 N THR A 12 11.981 -6.001 24.272 1.00 54.12 N ATOM 175 CA THR A 12 11.300 -6.278 25.518 1.00 52.53 C ATOM 176 C THR A 12 11.797 -5.344 26.624 1.00 72.12 C ATOM 177 O THR A 12 12.931 -4.841 26.568 1.00 13.04 O ATOM 178 CB THR A 12 11.567 -7.734 25.935 1.00 35.03 C ATOM 179 OG1 THR A 12 11.558 -8.578 24.773 1.00 61.53 O ATOM 180 CG2 THR A 12 10.518 -8.214 26.916 1.00 33.34 C ATOM 0 H THR A 12 12.977 -6.220 24.286 1.00 54.12 H new ATOM 0 HA THR A 12 10.232 -6.118 25.372 1.00 52.53 H new ATOM 0 HB THR A 12 12.543 -7.781 26.419 1.00 35.03 H new ATOM 0 HG1 THR A 12 11.730 -9.505 25.041 1.00 61.53 H new ATOM 0 HG21 THR A 12 10.727 -9.246 27.197 1.00 33.34 H new ATOM 0 HG22 THR A 12 10.537 -7.585 27.806 1.00 33.34 H new ATOM 0 HG23 THR A 12 9.533 -8.157 26.452 1.00 33.34 H new ATOM 188 N GLY A 13 10.953 -5.122 27.626 1.00 62.44 N ATOM 189 CA GLY A 13 11.330 -4.295 28.754 1.00 34.44 C ATOM 190 C GLY A 13 12.063 -5.092 29.816 1.00 13.14 C ATOM 191 O GLY A 13 11.487 -5.430 30.851 1.00 50.55 O ATOM 0 H GLY A 13 10.008 -5.504 27.675 1.00 62.44 H new ATOM 0 HA2 GLY A 13 11.964 -3.478 28.410 1.00 34.44 H new ATOM 0 HA3 GLY A 13 10.438 -3.844 29.189 1.00 34.44 H new ATOM 195 N GLY A 14 13.325 -5.420 29.533 1.00 62.02 N ATOM 196 CA GLY A 14 14.153 -6.150 30.484 1.00 43.32 C ATOM 197 C GLY A 14 14.393 -5.367 31.764 1.00 33.13 C ATOM 198 O GLY A 14 13.492 -5.226 32.590 1.00 44.52 O ATOM 0 H GLY A 14 13.791 -5.191 28.655 1.00 62.02 H new ATOM 0 HA2 GLY A 14 13.673 -7.098 30.726 1.00 43.32 H new ATOM 0 HA3 GLY A 14 15.111 -6.386 30.021 1.00 43.32 H new ATOM 202 N ARG A 15 15.611 -4.868 31.951 1.00 24.13 N ATOM 203 CA ARG A 15 15.896 -3.973 33.071 1.00 34.21 C ATOM 204 C ARG A 15 15.562 -2.543 32.681 1.00 4.22 C ATOM 205 O ARG A 15 14.793 -1.867 33.364 1.00 73.04 O ATOM 206 CB ARG A 15 17.359 -4.066 33.522 1.00 34.44 C ATOM 207 CG ARG A 15 17.699 -5.341 34.285 1.00 1.44 C ATOM 208 CD ARG A 15 19.064 -5.247 34.957 1.00 44.04 C ATOM 209 NE ARG A 15 19.341 -6.421 35.786 1.00 64.51 N ATOM 210 CZ ARG A 15 19.777 -6.369 37.046 1.00 22.54 C ATOM 211 NH1 ARG A 15 20.001 -5.203 37.640 1.00 12.40 N1+ ATOM 212 NH2 ARG A 15 19.996 -7.493 37.710 1.00 44.23 N ATOM 0 H ARG A 15 16.410 -5.065 31.349 1.00 24.13 H new ATOM 0 HA ARG A 15 15.274 -4.282 33.911 1.00 34.21 H new ATOM 0 HB2 ARG A 15 18.003 -3.999 32.645 1.00 34.44 H new ATOM 0 HB3 ARG A 15 17.588 -3.207 34.152 1.00 34.44 H new ATOM 0 HG2 ARG A 15 16.934 -5.529 35.039 1.00 1.44 H new ATOM 0 HG3 ARG A 15 17.688 -6.189 33.600 1.00 1.44 H new ATOM 0 HD2 ARG A 15 19.838 -5.148 34.196 1.00 44.04 H new ATOM 0 HD3 ARG A 15 19.105 -4.349 35.573 1.00 44.04 H new ATOM 0 HE ARG A 15 19.191 -7.341 35.373 1.00 64.51 H new ATOM 0 HH11 ARG A 15 19.840 -4.333 37.133 1.00 12.40 H new ATOM 0 HH12 ARG A 15 20.334 -5.177 38.604 1.00 12.40 H new ATOM 0 HH21 ARG A 15 19.831 -8.393 37.258 1.00 44.23 H new ATOM 0 HH22 ARG A 15 20.329 -7.460 38.673 1.00 44.23 H new ATOM 226 N ASP A 16 16.161 -2.079 31.587 1.00 4.14 N ATOM 227 CA ASP A 16 15.853 -0.753 31.059 1.00 22.02 C ATOM 228 C ASP A 16 15.448 -0.849 29.591 1.00 52.02 C ATOM 229 O ASP A 16 14.478 -0.222 29.171 1.00 74.22 O ATOM 230 CB ASP A 16 17.069 0.150 31.230 1.00 50.13 C ATOM 231 CG ASP A 16 16.780 1.620 30.950 1.00 53.42 C ATOM 232 OD1 ASP A 16 17.127 2.104 29.853 1.00 45.04 O ATOM 233 OD2 ASP A 16 16.235 2.301 31.846 1.00 61.02 O1- ATOM 0 H ASP A 16 16.858 -2.598 31.052 1.00 4.14 H new ATOM 0 HA ASP A 16 15.015 -0.326 31.610 1.00 22.02 H new ATOM 0 HB2 ASP A 16 17.446 0.050 32.248 1.00 50.13 H new ATOM 0 HB3 ASP A 16 17.861 -0.190 30.562 1.00 50.13 H new ATOM 238 N GLY A 17 16.173 -1.666 28.807 1.00 73.12 N ATOM 239 CA GLY A 17 15.664 -2.043 27.497 1.00 31.14 C ATOM 240 C GLY A 17 16.393 -3.233 26.910 1.00 63.12 C ATOM 241 O GLY A 17 17.596 -3.387 27.115 1.00 34.35 O ATOM 0 H GLY A 17 17.080 -2.061 29.054 1.00 73.12 H new ATOM 0 HA2 GLY A 17 14.602 -2.275 27.577 1.00 31.14 H new ATOM 0 HA3 GLY A 17 15.755 -1.195 26.818 1.00 31.14 H new ATOM 245 N ARG A 18 15.666 -4.090 26.198 1.00 71.41 N ATOM 246 CA ARG A 18 16.263 -5.228 25.502 1.00 64.41 C ATOM 247 C ARG A 18 15.780 -5.234 24.052 1.00 2.04 C ATOM 248 O ARG A 18 14.604 -5.474 23.793 1.00 73.24 O ATOM 249 CB ARG A 18 15.894 -6.535 26.234 1.00 30.54 C ATOM 250 CG ARG A 18 16.525 -7.805 25.651 1.00 21.30 C ATOM 251 CD ARG A 18 15.660 -8.438 24.565 1.00 2.42 C ATOM 252 NE ARG A 18 16.287 -9.629 23.990 1.00 61.43 N ATOM 253 CZ ARG A 18 15.617 -10.679 23.513 1.00 42.21 C ATOM 254 NH1 ARG A 18 14.292 -10.719 23.586 1.00 65.11 N1+ ATOM 255 NH2 ARG A 18 16.280 -11.687 22.959 1.00 11.32 N ATOM 0 H ARG A 18 14.655 -4.017 26.087 1.00 71.41 H new ATOM 0 HA ARG A 18 17.350 -5.146 25.500 1.00 64.41 H new ATOM 0 HB2 ARG A 18 16.193 -6.446 27.278 1.00 30.54 H new ATOM 0 HB3 ARG A 18 14.810 -6.647 26.221 1.00 30.54 H new ATOM 0 HG2 ARG A 18 17.504 -7.564 25.237 1.00 21.30 H new ATOM 0 HG3 ARG A 18 16.686 -8.528 26.451 1.00 21.30 H new ATOM 0 HD2 ARG A 18 14.690 -8.705 24.984 1.00 2.42 H new ATOM 0 HD3 ARG A 18 15.476 -7.708 23.776 1.00 2.42 H new ATOM 0 HE ARG A 18 17.306 -9.658 23.951 1.00 61.43 H new ATOM 0 HH11 ARG A 18 13.781 -9.944 24.009 1.00 65.11 H new ATOM 0 HH12 ARG A 18 13.785 -11.525 23.219 1.00 65.11 H new ATOM 0 HH21 ARG A 18 17.298 -11.657 22.899 1.00 11.32 H new ATOM 0 HH22 ARG A 18 15.772 -12.492 22.593 1.00 11.32 H new ATOM 269 N ALA A 19 16.687 -4.957 23.118 1.00 71.12 N ATOM 270 CA ALA A 19 16.334 -4.804 21.707 1.00 34.25 C ATOM 271 C ALA A 19 16.945 -5.922 20.862 1.00 41.03 C ATOM 272 O ALA A 19 18.162 -6.120 20.864 1.00 12.34 O ATOM 273 CB ALA A 19 16.799 -3.443 21.201 1.00 5.35 C ATOM 0 H ALA A 19 17.680 -4.833 23.315 1.00 71.12 H new ATOM 0 HA ALA A 19 15.250 -4.869 21.615 1.00 34.25 H new ATOM 0 HB1 ALA A 19 16.533 -3.335 20.149 1.00 5.35 H new ATOM 0 HB2 ALA A 19 16.316 -2.655 21.780 1.00 5.35 H new ATOM 0 HB3 ALA A 19 17.880 -3.364 21.312 1.00 5.35 H new ATOM 279 N THR A 20 16.095 -6.635 20.131 1.00 63.53 N ATOM 280 CA THR A 20 16.526 -7.762 19.316 1.00 0.02 C ATOM 281 C THR A 20 15.897 -7.705 17.932 1.00 61.21 C ATOM 282 O THR A 20 14.682 -7.779 17.794 1.00 50.32 O ATOM 283 CB THR A 20 16.129 -9.089 20.008 1.00 22.13 C ATOM 284 OG1 THR A 20 16.692 -9.121 21.322 1.00 4.20 O ATOM 285 CG2 THR A 20 16.594 -10.314 19.224 1.00 30.30 C ATOM 0 H THR A 20 15.093 -6.448 20.087 1.00 63.53 H new ATOM 0 HA THR A 20 17.609 -7.711 19.207 1.00 0.02 H new ATOM 0 HB THR A 20 15.041 -9.126 20.055 1.00 22.13 H new ATOM 0 HG1 THR A 20 17.404 -9.793 21.356 1.00 4.20 H new ATOM 0 HG21 THR A 20 16.291 -11.219 19.750 1.00 30.30 H new ATOM 0 HG22 THR A 20 16.143 -10.303 18.232 1.00 30.30 H new ATOM 0 HG23 THR A 20 17.680 -10.295 19.130 1.00 30.30 H new ATOM 293 N SER A 21 16.729 -7.585 16.905 1.00 52.22 N ATOM 294 CA SER A 21 16.248 -7.689 15.545 1.00 61.23 C ATOM 295 C SER A 21 15.833 -9.129 15.345 1.00 4.01 C ATOM 296 O SER A 21 16.698 -10.018 15.250 1.00 53.51 O ATOM 297 CB SER A 21 17.323 -7.272 14.530 1.00 62.30 C ATOM 298 OG SER A 21 16.934 -7.577 13.202 1.00 0.33 O ATOM 0 H SER A 21 17.731 -7.417 16.993 1.00 52.22 H new ATOM 0 HA SER A 21 15.408 -7.014 15.382 1.00 61.23 H new ATOM 0 HB2 SER A 21 17.511 -6.202 14.618 1.00 62.30 H new ATOM 0 HB3 SER A 21 18.259 -7.780 14.761 1.00 62.30 H new ATOM 0 HG SER A 21 16.959 -8.548 13.068 1.00 0.33 H new ATOM 304 N HIS A 22 14.510 -9.331 15.297 1.00 22.03 N ATOM 305 CA HIS A 22 13.889 -10.650 15.423 1.00 2.11 C ATOM 306 C HIS A 22 14.205 -11.522 14.220 1.00 71.44 C ATOM 307 O HIS A 22 14.001 -12.735 14.249 1.00 63.31 O ATOM 308 CB HIS A 22 12.371 -10.495 15.607 1.00 42.33 C ATOM 309 CG HIS A 22 11.655 -11.768 15.958 1.00 64.41 C ATOM 310 ND1 HIS A 22 11.513 -12.222 17.257 1.00 70.44 N ATOM 311 CD2 HIS A 22 11.022 -12.676 15.178 1.00 33.23 C ATOM 312 CE1 HIS A 22 10.827 -13.350 17.253 1.00 21.33 C ATOM 313 NE2 HIS A 22 10.516 -13.647 16.005 1.00 41.54 N ATOM 0 H HIS A 22 13.837 -8.575 15.168 1.00 22.03 H new ATOM 0 HA HIS A 22 14.301 -11.146 16.302 1.00 2.11 H new ATOM 0 HB2 HIS A 22 12.185 -9.760 16.390 1.00 42.33 H new ATOM 0 HB3 HIS A 22 11.945 -10.095 14.687 1.00 42.33 H new ATOM 0 HD2 HIS A 22 10.932 -12.642 14.102 1.00 33.23 H new ATOM 0 HE1 HIS A 22 10.564 -13.932 18.124 1.00 21.33 H new ATOM 0 HE2 HIS A 22 9.986 -14.465 15.704 1.00 41.54 H new ATOM 322 N ASP A 23 14.751 -10.899 13.185 1.00 65.30 N ATOM 323 CA ASP A 23 15.226 -11.618 12.007 1.00 52.23 C ATOM 324 C ASP A 23 16.608 -12.209 12.306 1.00 2.53 C ATOM 325 O ASP A 23 17.337 -12.627 11.407 1.00 21.54 O ATOM 326 CB ASP A 23 15.277 -10.662 10.805 1.00 41.44 C ATOM 327 CG ASP A 23 15.501 -11.376 9.479 1.00 73.43 C ATOM 328 OD1 ASP A 23 16.604 -11.262 8.908 1.00 71.33 O ATOM 329 OD2 ASP A 23 14.564 -12.045 8.994 1.00 13.13 O1- ATOM 0 H ASP A 23 14.877 -9.888 13.136 1.00 65.30 H new ATOM 0 HA ASP A 23 14.545 -12.433 11.761 1.00 52.23 H new ATOM 0 HB2 ASP A 23 14.344 -10.101 10.755 1.00 41.44 H new ATOM 0 HB3 ASP A 23 16.076 -9.937 10.959 1.00 41.44 H new ATOM 334 N GLN A 24 16.949 -12.217 13.603 1.00 30.45 N ATOM 335 CA GLN A 24 18.178 -12.814 14.121 1.00 23.53 C ATOM 336 C GLN A 24 19.393 -12.000 13.700 1.00 71.34 C ATOM 337 O GLN A 24 20.514 -12.511 13.648 1.00 22.01 O ATOM 338 CB GLN A 24 18.306 -14.281 13.683 1.00 42.54 C ATOM 339 CG GLN A 24 17.143 -15.159 14.142 1.00 72.53 C ATOM 340 CD GLN A 24 16.881 -15.062 15.638 1.00 14.50 C ATOM 341 OE1 GLN A 24 17.467 -15.794 16.438 1.00 45.33 O ATOM 342 NE2 GLN A 24 15.984 -14.167 16.028 1.00 4.22 N ATOM 0 H GLN A 24 16.366 -11.801 14.329 1.00 30.45 H new ATOM 0 HA GLN A 24 18.130 -12.800 15.210 1.00 23.53 H new ATOM 0 HB2 GLN A 24 18.375 -14.322 12.596 1.00 42.54 H new ATOM 0 HB3 GLN A 24 19.237 -14.689 14.077 1.00 42.54 H new ATOM 0 HG2 GLN A 24 16.242 -14.871 13.601 1.00 72.53 H new ATOM 0 HG3 GLN A 24 17.353 -16.196 13.882 1.00 72.53 H new ATOM 0 HE21 GLN A 24 15.518 -13.578 15.338 1.00 4.22 H new ATOM 0 HE22 GLN A 24 15.760 -14.068 17.018 1.00 4.22 H new ATOM 351 N LYS A 25 19.165 -10.715 13.441 1.00 22.35 N ATOM 352 CA LYS A 25 20.230 -9.819 13.016 1.00 24.04 C ATOM 353 C LYS A 25 20.778 -8.992 14.179 1.00 45.31 C ATOM 354 O LYS A 25 21.886 -8.461 14.085 1.00 73.44 O ATOM 355 CB LYS A 25 19.746 -8.906 11.875 1.00 30.31 C ATOM 356 CG LYS A 25 19.574 -9.645 10.547 1.00 12.14 C ATOM 357 CD LYS A 25 19.184 -8.712 9.400 1.00 61.23 C ATOM 358 CE LYS A 25 17.763 -8.170 9.548 1.00 52.51 C ATOM 359 NZ LYS A 25 17.281 -7.530 8.293 1.00 22.01 N1+ ATOM 0 H LYS A 25 18.249 -10.273 13.519 1.00 22.35 H new ATOM 0 HA LYS A 25 21.049 -10.436 12.645 1.00 24.04 H new ATOM 0 HB2 LYS A 25 18.795 -8.454 12.158 1.00 30.31 H new ATOM 0 HB3 LYS A 25 20.459 -8.092 11.741 1.00 30.31 H new ATOM 0 HG2 LYS A 25 20.505 -10.154 10.296 1.00 12.14 H new ATOM 0 HG3 LYS A 25 18.810 -10.414 10.660 1.00 12.14 H new ATOM 0 HD2 LYS A 25 19.885 -7.879 9.359 1.00 61.23 H new ATOM 0 HD3 LYS A 25 19.269 -9.248 8.455 1.00 61.23 H new ATOM 0 HE2 LYS A 25 17.091 -8.983 9.823 1.00 52.51 H new ATOM 0 HE3 LYS A 25 17.734 -7.444 10.361 1.00 52.51 H new ATOM 0 HZ1 LYS A 25 16.314 -7.175 8.434 1.00 22.01 H new ATOM 0 HZ2 LYS A 25 17.908 -6.738 8.044 1.00 22.01 H new ATOM 0 HZ3 LYS A 25 17.285 -8.229 7.523 1.00 22.01 H new ATOM 373 N LEU A 26 20.021 -8.870 15.280 1.00 32.33 N ATOM 374 CA LEU A 26 20.523 -8.123 16.437 1.00 24.31 C ATOM 375 C LEU A 26 19.924 -8.657 17.729 1.00 21.31 C ATOM 376 O LEU A 26 18.780 -9.081 17.742 1.00 11.34 O ATOM 377 CB LEU A 26 20.189 -6.634 16.277 1.00 35.55 C ATOM 378 CG LEU A 26 20.472 -5.746 17.497 1.00 2.25 C ATOM 379 CD1 LEU A 26 21.966 -5.686 17.804 1.00 31.22 C ATOM 380 CD2 LEU A 26 19.898 -4.354 17.268 1.00 74.42 C ATOM 0 H LEU A 26 19.088 -9.266 15.391 1.00 32.33 H new ATOM 0 HA LEU A 26 21.605 -8.247 16.487 1.00 24.31 H new ATOM 0 HB2 LEU A 26 20.754 -6.244 15.430 1.00 35.55 H new ATOM 0 HB3 LEU A 26 19.133 -6.544 16.024 1.00 35.55 H new ATOM 0 HG LEU A 26 19.984 -6.185 18.367 1.00 2.25 H new ATOM 0 HD11 LEU A 26 22.134 -5.050 18.673 1.00 31.22 H new ATOM 0 HD12 LEU A 26 22.335 -6.690 18.013 1.00 31.22 H new ATOM 0 HD13 LEU A 26 22.498 -5.275 16.946 1.00 31.22 H new ATOM 0 HD21 LEU A 26 20.102 -3.729 18.137 1.00 74.42 H new ATOM 0 HD22 LEU A 26 20.360 -3.911 16.386 1.00 74.42 H new ATOM 0 HD23 LEU A 26 18.821 -4.425 17.117 1.00 74.42 H new ATOM 392 N ASP A 27 20.710 -8.631 18.802 1.00 3.11 N ATOM 393 CA ASP A 27 20.242 -9.029 20.130 1.00 12.11 C ATOM 394 C ASP A 27 21.101 -8.367 21.204 1.00 11.44 C ATOM 395 O ASP A 27 22.203 -8.833 21.506 1.00 42.31 O ATOM 396 CB ASP A 27 20.271 -10.559 20.290 1.00 5.04 C ATOM 397 CG ASP A 27 19.967 -11.007 21.716 1.00 74.13 C ATOM 398 OD1 ASP A 27 20.890 -11.469 22.414 1.00 54.23 O ATOM 399 OD2 ASP A 27 18.804 -10.886 22.153 1.00 11.42 O1- ATOM 0 H ASP A 27 21.686 -8.335 18.778 1.00 3.11 H new ATOM 0 HA ASP A 27 19.210 -8.698 20.244 1.00 12.11 H new ATOM 0 HB2 ASP A 27 19.545 -11.005 19.611 1.00 5.04 H new ATOM 0 HB3 ASP A 27 21.252 -10.932 19.998 1.00 5.04 H new ATOM 404 N VAL A 28 20.612 -7.254 21.745 1.00 5.03 N ATOM 405 CA VAL A 28 21.322 -6.515 22.794 1.00 42.02 C ATOM 406 C VAL A 28 20.366 -5.905 23.811 1.00 62.12 C ATOM 407 O VAL A 28 19.145 -6.017 23.696 1.00 32.30 O ATOM 408 CB VAL A 28 22.217 -5.384 22.221 1.00 24.24 C ATOM 409 CG1 VAL A 28 23.495 -5.958 21.623 1.00 34.22 C ATOM 410 CG2 VAL A 28 21.448 -4.550 21.196 1.00 1.00 C ATOM 0 H VAL A 28 19.721 -6.839 21.474 1.00 5.03 H new ATOM 0 HA VAL A 28 21.954 -7.254 23.287 1.00 42.02 H new ATOM 0 HB VAL A 28 22.501 -4.723 23.040 1.00 24.24 H new ATOM 0 HG11 VAL A 28 24.107 -5.148 21.227 1.00 34.22 H new ATOM 0 HG12 VAL A 28 24.051 -6.489 22.395 1.00 34.22 H new ATOM 0 HG13 VAL A 28 23.242 -6.648 20.818 1.00 34.22 H new ATOM 0 HG21 VAL A 28 22.095 -3.763 20.808 1.00 1.00 H new ATOM 0 HG22 VAL A 28 21.123 -5.190 20.376 1.00 1.00 H new ATOM 0 HG23 VAL A 28 20.577 -4.101 21.673 1.00 1.00 H new ATOM 420 N LYS A 29 20.953 -5.256 24.808 1.00 24.10 N ATOM 421 CA LYS A 29 20.220 -4.626 25.894 1.00 44.35 C ATOM 422 C LYS A 29 20.889 -3.310 26.269 1.00 43.02 C ATOM 423 O LYS A 29 22.117 -3.211 26.287 1.00 12.55 O ATOM 424 CB LYS A 29 20.173 -5.578 27.097 1.00 13.02 C ATOM 425 CG LYS A 29 20.012 -4.903 28.460 1.00 22.53 C ATOM 426 CD LYS A 29 20.194 -5.902 29.605 1.00 24.23 C ATOM 427 CE LYS A 29 19.210 -7.067 29.514 1.00 1.41 C ATOM 428 NZ LYS A 29 19.516 -8.133 30.505 1.00 62.42 N1+ ATOM 0 H LYS A 29 21.965 -5.152 24.885 1.00 24.10 H new ATOM 0 HA LYS A 29 19.199 -4.414 25.577 1.00 44.35 H new ATOM 0 HB2 LYS A 29 19.347 -6.275 26.956 1.00 13.02 H new ATOM 0 HB3 LYS A 29 21.089 -6.168 27.108 1.00 13.02 H new ATOM 0 HG2 LYS A 29 20.742 -4.099 28.558 1.00 22.53 H new ATOM 0 HG3 LYS A 29 19.024 -4.447 28.527 1.00 22.53 H new ATOM 0 HD2 LYS A 29 21.214 -6.287 29.590 1.00 24.23 H new ATOM 0 HD3 LYS A 29 20.061 -5.389 30.557 1.00 24.23 H new ATOM 0 HE2 LYS A 29 18.197 -6.700 29.678 1.00 1.41 H new ATOM 0 HE3 LYS A 29 19.238 -7.488 28.509 1.00 1.41 H new ATOM 0 HZ1 LYS A 29 18.825 -8.904 30.410 1.00 62.42 H new ATOM 0 HZ2 LYS A 29 20.473 -8.502 30.333 1.00 62.42 H new ATOM 0 HZ3 LYS A 29 19.464 -7.739 31.466 1.00 62.42 H new ATOM 442 N LEU A 30 20.079 -2.301 26.553 1.00 2.53 N ATOM 443 CA LEU A 30 20.583 -0.998 26.934 1.00 41.03 C ATOM 444 C LEU A 30 19.971 -0.547 28.263 1.00 64.12 C ATOM 445 O LEU A 30 18.945 -1.109 28.724 1.00 54.30 O ATOM 446 CB LEU A 30 20.364 0.044 25.804 1.00 11.12 C ATOM 447 CG LEU A 30 18.989 0.066 25.099 1.00 54.41 C ATOM 448 CD1 LEU A 30 18.794 -1.148 24.188 1.00 21.32 C ATOM 449 CD2 LEU A 30 17.863 0.174 26.115 1.00 54.12 C ATOM 0 H LEU A 30 19.061 -2.365 26.525 1.00 2.53 H new ATOM 0 HA LEU A 30 21.660 -1.078 27.083 1.00 41.03 H new ATOM 0 HB2 LEU A 30 20.541 1.034 26.223 1.00 11.12 H new ATOM 0 HB3 LEU A 30 21.127 -0.121 25.044 1.00 11.12 H new ATOM 0 HG LEU A 30 18.963 0.951 24.463 1.00 54.41 H new ATOM 0 HD11 LEU A 30 17.815 -1.093 23.712 1.00 21.32 H new ATOM 0 HD12 LEU A 30 19.569 -1.156 23.422 1.00 21.32 H new ATOM 0 HD13 LEU A 30 18.859 -2.061 24.780 1.00 21.32 H new ATOM 0 HD21 LEU A 30 16.905 0.188 25.596 1.00 54.12 H new ATOM 0 HD22 LEU A 30 17.898 -0.682 26.789 1.00 54.12 H new ATOM 0 HD23 LEU A 30 17.978 1.093 26.689 1.00 54.12 H new ATOM 461 N SER A 31 20.617 0.447 28.876 1.00 75.34 N ATOM 462 CA SER A 31 20.223 0.954 30.183 1.00 34.22 C ATOM 463 C SER A 31 20.737 2.374 30.396 1.00 62.41 C ATOM 464 O SER A 31 21.896 2.678 30.102 1.00 64.13 O ATOM 465 CB SER A 31 20.744 0.033 31.297 1.00 52.23 C ATOM 466 OG SER A 31 20.227 -1.282 31.161 1.00 11.31 O ATOM 0 H SER A 31 21.428 0.920 28.477 1.00 75.34 H new ATOM 0 HA SER A 31 19.134 0.973 30.221 1.00 34.22 H new ATOM 0 HB2 SER A 31 21.833 0.003 31.268 1.00 52.23 H new ATOM 0 HB3 SER A 31 20.462 0.438 32.269 1.00 52.23 H new ATOM 0 HG SER A 31 19.856 -1.578 32.018 1.00 11.31 H new ATOM 472 N ALA A 32 19.857 3.239 30.895 1.00 52.21 N ATOM 473 CA ALA A 32 20.222 4.609 31.234 1.00 43.51 C ATOM 474 C ALA A 32 21.274 4.624 32.349 1.00 25.12 C ATOM 475 O ALA A 32 21.066 4.026 33.414 1.00 4.30 O ATOM 476 CB ALA A 32 18.984 5.400 31.653 1.00 22.44 C ATOM 0 H ALA A 32 18.879 3.011 31.074 1.00 52.21 H new ATOM 0 HA ALA A 32 20.652 5.082 30.351 1.00 43.51 H new ATOM 0 HB1 ALA A 32 19.272 6.421 31.903 1.00 22.44 H new ATOM 0 HB2 ALA A 32 18.267 5.416 30.832 1.00 22.44 H new ATOM 0 HB3 ALA A 32 18.528 4.928 32.523 1.00 22.44 H new ATOM 482 N PRO A 33 22.418 5.304 32.124 1.00 32.33 N ATOM 483 CA PRO A 33 23.505 5.380 33.108 1.00 35.40 C ATOM 484 C PRO A 33 23.037 6.007 34.423 1.00 50.42 C ATOM 485 O PRO A 33 22.227 6.939 34.430 1.00 70.53 O ATOM 486 CB PRO A 33 24.565 6.264 32.423 1.00 73.33 C ATOM 487 CG PRO A 33 23.830 6.986 31.344 1.00 10.15 C ATOM 488 CD PRO A 33 22.741 6.053 30.896 1.00 32.53 C ATOM 0 HA PRO A 33 23.884 4.394 33.378 1.00 35.40 H new ATOM 0 HB2 PRO A 33 25.013 6.962 33.130 1.00 73.33 H new ATOM 0 HB3 PRO A 33 25.376 5.662 32.013 1.00 73.33 H new ATOM 0 HG2 PRO A 33 23.414 7.923 31.714 1.00 10.15 H new ATOM 0 HG3 PRO A 33 24.495 7.236 30.518 1.00 10.15 H new ATOM 0 HD2 PRO A 33 21.876 6.596 30.515 1.00 32.53 H new ATOM 0 HD3 PRO A 33 23.079 5.392 30.098 1.00 32.53 H new ATOM 496 N ARG A 34 23.558 5.500 35.536 1.00 10.53 N ATOM 497 CA ARG A 34 23.144 5.964 36.858 1.00 33.33 C ATOM 498 C ARG A 34 23.746 7.335 37.161 1.00 40.12 C ATOM 499 O ARG A 34 23.371 7.984 38.136 1.00 0.24 O ATOM 500 CB ARG A 34 23.535 4.940 37.942 1.00 35.21 C ATOM 501 CG ARG A 34 22.341 4.271 38.620 1.00 34.41 C ATOM 502 CD ARG A 34 21.375 5.284 39.213 1.00 50.12 C ATOM 503 NE ARG A 34 20.164 4.645 39.723 1.00 3.50 N ATOM 504 CZ ARG A 34 19.302 5.223 40.559 1.00 2.33 C ATOM 505 NH1 ARG A 34 19.562 6.418 41.080 1.00 23.02 N1+ ATOM 506 NH2 ARG A 34 18.190 4.588 40.898 1.00 21.42 N ATOM 0 H ARG A 34 24.268 4.768 35.550 1.00 10.53 H new ATOM 0 HA ARG A 34 22.058 6.062 36.862 1.00 33.33 H new ATOM 0 HB2 ARG A 34 24.163 4.171 37.492 1.00 35.21 H new ATOM 0 HB3 ARG A 34 24.138 5.440 38.700 1.00 35.21 H new ATOM 0 HG2 ARG A 34 21.814 3.651 37.895 1.00 34.41 H new ATOM 0 HG3 ARG A 34 22.698 3.607 39.408 1.00 34.41 H new ATOM 0 HD2 ARG A 34 21.867 5.826 40.020 1.00 50.12 H new ATOM 0 HD3 ARG A 34 21.106 6.018 38.453 1.00 50.12 H new ATOM 0 HE ARG A 34 19.965 3.692 39.419 1.00 3.50 H new ATOM 0 HH11 ARG A 34 20.428 6.901 40.841 1.00 23.02 H new ATOM 0 HH12 ARG A 34 18.896 6.852 41.719 1.00 23.02 H new ATOM 0 HH21 ARG A 34 17.997 3.661 40.520 1.00 21.42 H new ATOM 0 HH22 ARG A 34 17.527 5.026 41.538 1.00 21.42 H new ATOM 520 N GLU A 35 24.664 7.771 36.306 1.00 72.31 N ATOM 521 CA GLU A 35 25.299 9.078 36.441 1.00 75.14 C ATOM 522 C GLU A 35 24.253 10.193 36.366 1.00 65.21 C ATOM 523 O GLU A 35 24.433 11.268 36.937 1.00 33.12 O ATOM 524 CB GLU A 35 26.370 9.274 35.351 1.00 20.34 C ATOM 525 CG GLU A 35 27.545 8.293 35.432 1.00 71.30 C ATOM 526 CD GLU A 35 27.223 6.903 34.892 1.00 31.03 C ATOM 527 OE1 GLU A 35 26.612 6.091 35.622 1.00 31.45 O ATOM 528 OE2 GLU A 35 27.590 6.608 33.739 1.00 43.03 O1- ATOM 0 H GLU A 35 24.988 7.232 35.503 1.00 72.31 H new ATOM 0 HA GLU A 35 25.785 9.124 37.416 1.00 75.14 H new ATOM 0 HB2 GLU A 35 25.898 9.176 34.373 1.00 20.34 H new ATOM 0 HB3 GLU A 35 26.757 10.291 35.418 1.00 20.34 H new ATOM 0 HG2 GLU A 35 28.388 8.703 34.875 1.00 71.30 H new ATOM 0 HG3 GLU A 35 27.862 8.205 36.471 1.00 71.30 H new ATOM 535 N LEU A 36 23.154 9.919 35.664 1.00 33.22 N ATOM 536 CA LEU A 36 22.056 10.881 35.528 1.00 32.24 C ATOM 537 C LEU A 36 20.874 10.470 36.407 1.00 55.25 C ATOM 538 O LEU A 36 19.774 11.009 36.276 1.00 40.24 O ATOM 539 CB LEU A 36 21.593 10.986 34.062 1.00 11.21 C ATOM 540 CG LEU A 36 22.650 11.459 33.042 1.00 24.22 C ATOM 541 CD1 LEU A 36 23.324 12.749 33.506 1.00 52.21 C ATOM 542 CD2 LEU A 36 23.680 10.365 32.773 1.00 63.44 C ATOM 0 H LEU A 36 22.998 9.036 35.178 1.00 33.22 H new ATOM 0 HA LEU A 36 22.425 11.855 35.851 1.00 32.24 H new ATOM 0 HB2 LEU A 36 21.228 10.008 33.748 1.00 11.21 H new ATOM 0 HB3 LEU A 36 20.746 11.671 34.019 1.00 11.21 H new ATOM 0 HG LEU A 36 22.137 11.672 32.104 1.00 24.22 H new ATOM 0 HD11 LEU A 36 24.064 13.059 32.768 1.00 52.21 H new ATOM 0 HD12 LEU A 36 22.574 13.532 33.618 1.00 52.21 H new ATOM 0 HD13 LEU A 36 23.816 12.578 34.464 1.00 52.21 H new ATOM 0 HD21 LEU A 36 24.413 10.725 32.051 1.00 63.44 H new ATOM 0 HD22 LEU A 36 24.185 10.104 33.703 1.00 63.44 H new ATOM 0 HD23 LEU A 36 23.179 9.484 32.373 1.00 63.44 H new ATOM 554 N GLY A 37 21.117 9.524 37.313 1.00 72.22 N ATOM 555 CA GLY A 37 20.049 8.983 38.139 1.00 12.23 C ATOM 556 C GLY A 37 19.160 8.035 37.357 1.00 31.23 C ATOM 557 O GLY A 37 17.959 7.934 37.617 1.00 41.24 O ATOM 0 H GLY A 37 22.037 9.122 37.490 1.00 72.22 H new ATOM 0 HA2 GLY A 37 20.479 8.458 38.992 1.00 12.23 H new ATOM 0 HA3 GLY A 37 19.448 9.800 38.538 1.00 12.23 H new ATOM 561 N GLY A 38 19.763 7.341 36.391 1.00 73.44 N ATOM 562 CA GLY A 38 19.024 6.425 35.541 1.00 31.42 C ATOM 563 C GLY A 38 18.809 5.066 36.184 1.00 22.15 C ATOM 564 O GLY A 38 18.394 4.975 37.339 1.00 21.21 O ATOM 0 H GLY A 38 20.760 7.400 36.183 1.00 73.44 H new ATOM 0 HA2 GLY A 38 18.056 6.864 35.298 1.00 31.42 H new ATOM 0 HA3 GLY A 38 19.561 6.296 34.601 1.00 31.42 H new ATOM 568 N ALA A 39 19.122 4.008 35.444 1.00 14.21 N ATOM 569 CA ALA A 39 18.866 2.642 35.892 1.00 43.43 C ATOM 570 C ALA A 39 20.112 2.054 36.533 1.00 63.22 C ATOM 571 O ALA A 39 20.039 1.366 37.554 1.00 3.43 O ATOM 572 CB ALA A 39 18.416 1.777 34.719 1.00 5.43 C ATOM 0 H ALA A 39 19.557 4.071 34.524 1.00 14.21 H new ATOM 0 HA ALA A 39 18.070 2.663 36.636 1.00 43.43 H new ATOM 0 HB1 ALA A 39 18.229 0.761 35.067 1.00 5.43 H new ATOM 0 HB2 ALA A 39 17.501 2.189 34.293 1.00 5.43 H new ATOM 0 HB3 ALA A 39 19.196 1.762 33.958 1.00 5.43 H new ATOM 578 N GLY A 40 21.259 2.351 35.934 1.00 15.31 N ATOM 579 CA GLY A 40 22.515 1.820 36.417 1.00 42.15 C ATOM 580 C GLY A 40 22.653 0.335 36.158 1.00 45.53 C ATOM 581 O GLY A 40 22.258 -0.490 36.985 1.00 15.12 O ATOM 0 H GLY A 40 21.339 2.955 35.116 1.00 15.31 H new ATOM 0 HA2 GLY A 40 23.338 2.348 35.936 1.00 42.15 H new ATOM 0 HA3 GLY A 40 22.598 2.008 37.487 1.00 42.15 H new ATOM 585 N ALA A 41 23.212 0.002 35.009 1.00 5.32 N ATOM 586 CA ALA A 41 23.396 -1.385 34.603 1.00 5.21 C ATOM 587 C ALA A 41 24.411 -1.460 33.472 1.00 44.21 C ATOM 588 O ALA A 41 24.578 -0.496 32.720 1.00 13.22 O ATOM 589 CB ALA A 41 22.063 -1.998 34.172 1.00 40.21 C ATOM 0 H ALA A 41 23.552 0.682 34.329 1.00 5.32 H new ATOM 0 HA ALA A 41 23.772 -1.956 35.452 1.00 5.21 H new ATOM 0 HB1 ALA A 41 22.219 -3.034 33.872 1.00 40.21 H new ATOM 0 HB2 ALA A 41 21.360 -1.963 35.005 1.00 40.21 H new ATOM 0 HB3 ALA A 41 21.658 -1.434 33.332 1.00 40.21 H new ATOM 595 N GLU A 42 25.090 -2.599 33.361 1.00 32.32 N ATOM 596 CA GLU A 42 26.084 -2.803 32.314 1.00 71.23 C ATOM 597 C GLU A 42 25.400 -3.010 30.958 1.00 1.12 C ATOM 598 O GLU A 42 25.274 -4.129 30.460 1.00 55.43 O ATOM 599 CB GLU A 42 27.007 -3.980 32.676 1.00 42.31 C ATOM 600 CG GLU A 42 26.266 -5.269 33.020 1.00 52.14 C ATOM 601 CD GLU A 42 27.180 -6.332 33.609 1.00 31.41 C ATOM 602 OE1 GLU A 42 27.864 -7.036 32.834 1.00 24.22 O ATOM 603 OE2 GLU A 42 27.223 -6.464 34.853 1.00 54.53 O1- ATOM 0 H GLU A 42 24.968 -3.396 33.986 1.00 32.32 H new ATOM 0 HA GLU A 42 26.704 -1.910 32.233 1.00 71.23 H new ATOM 0 HB2 GLU A 42 27.679 -4.172 31.839 1.00 42.31 H new ATOM 0 HB3 GLU A 42 27.628 -3.693 33.524 1.00 42.31 H new ATOM 0 HG2 GLU A 42 25.469 -5.047 33.730 1.00 52.14 H new ATOM 0 HG3 GLU A 42 25.791 -5.661 32.121 1.00 52.14 H new ATOM 610 N GLY A 43 24.923 -1.909 30.394 1.00 3.30 N ATOM 611 CA GLY A 43 24.257 -1.934 29.103 1.00 20.41 C ATOM 612 C GLY A 43 24.782 -0.854 28.179 1.00 55.55 C ATOM 613 O GLY A 43 25.929 -0.419 28.316 1.00 25.21 O ATOM 0 H GLY A 43 24.987 -0.982 30.815 1.00 3.30 H new ATOM 0 HA2 GLY A 43 24.399 -2.910 28.639 1.00 20.41 H new ATOM 0 HA3 GLY A 43 23.184 -1.802 29.245 1.00 20.41 H new ATOM 617 N THR A 44 23.945 -0.408 27.248 1.00 1.14 N ATOM 618 CA THR A 44 24.342 0.597 26.269 1.00 0.00 C ATOM 619 C THR A 44 23.501 1.868 26.432 1.00 54.32 C ATOM 620 O THR A 44 22.405 1.824 26.992 1.00 53.24 O ATOM 621 CB THR A 44 24.178 0.031 24.834 1.00 74.01 C ATOM 622 OG1 THR A 44 24.953 -1.169 24.696 1.00 60.01 O ATOM 623 CG2 THR A 44 24.610 1.038 23.772 1.00 54.14 C ATOM 0 H THR A 44 22.982 -0.729 27.151 1.00 1.14 H new ATOM 0 HA THR A 44 25.389 0.851 26.435 1.00 0.00 H new ATOM 0 HB THR A 44 23.120 -0.184 24.683 1.00 74.01 H new ATOM 0 HG1 THR A 44 24.846 -1.525 23.789 1.00 60.01 H new ATOM 0 HG21 THR A 44 24.479 0.601 22.782 1.00 54.14 H new ATOM 0 HG22 THR A 44 24.001 1.938 23.855 1.00 54.14 H new ATOM 0 HG23 THR A 44 25.659 1.295 23.919 1.00 54.14 H new ATOM 631 N ASN A 45 24.032 2.999 25.969 1.00 72.33 N ATOM 632 CA ASN A 45 23.282 4.256 25.944 1.00 33.43 C ATOM 633 C ASN A 45 22.423 4.320 24.680 1.00 24.30 C ATOM 634 O ASN A 45 22.960 4.273 23.569 1.00 63.01 O ATOM 635 CB ASN A 45 24.232 5.468 25.987 1.00 4.20 C ATOM 636 CG ASN A 45 24.849 5.699 27.356 1.00 5.33 C ATOM 637 OD1 ASN A 45 24.270 6.381 28.195 1.00 50.31 O ATOM 638 ND2 ASN A 45 26.033 5.151 27.585 1.00 41.45 N ATOM 0 H ASN A 45 24.982 3.071 25.605 1.00 72.33 H new ATOM 0 HA ASN A 45 22.642 4.290 26.826 1.00 33.43 H new ATOM 0 HB2 ASN A 45 25.028 5.323 25.257 1.00 4.20 H new ATOM 0 HB3 ASN A 45 23.684 6.361 25.688 1.00 4.20 H new ATOM 0 HD21 ASN A 45 26.494 5.290 28.484 1.00 41.45 H new ATOM 0 HD22 ASN A 45 26.484 4.590 26.862 1.00 41.45 H new ATOM 645 N PRO A 46 21.085 4.417 24.825 1.00 63.04 N ATOM 646 CA PRO A 46 20.160 4.487 23.679 1.00 61.02 C ATOM 647 C PRO A 46 20.529 5.605 22.700 1.00 4.44 C ATOM 648 O PRO A 46 20.554 5.404 21.481 1.00 23.02 O ATOM 649 CB PRO A 46 18.796 4.763 24.335 1.00 23.35 C ATOM 650 CG PRO A 46 18.927 4.225 25.719 1.00 42.23 C ATOM 651 CD PRO A 46 20.362 4.458 26.115 1.00 1.14 C ATOM 0 HA PRO A 46 20.179 3.575 23.082 1.00 61.02 H new ATOM 0 HB2 PRO A 46 18.569 5.829 24.344 1.00 23.35 H new ATOM 0 HB3 PRO A 46 17.989 4.270 23.793 1.00 23.35 H new ATOM 0 HG2 PRO A 46 18.245 4.732 26.402 1.00 42.23 H new ATOM 0 HG3 PRO A 46 18.680 3.164 25.751 1.00 42.23 H new ATOM 0 HD2 PRO A 46 20.490 5.417 26.617 1.00 1.14 H new ATOM 0 HD3 PRO A 46 20.719 3.690 26.801 1.00 1.14 H new ATOM 659 N GLU A 47 20.850 6.772 23.248 1.00 25.31 N ATOM 660 CA GLU A 47 21.179 7.939 22.437 1.00 53.11 C ATOM 661 C GLU A 47 22.470 7.694 21.655 1.00 42.42 C ATOM 662 O GLU A 47 22.622 8.142 20.517 1.00 0.52 O ATOM 663 CB GLU A 47 21.304 9.178 23.335 1.00 52.55 C ATOM 664 CG GLU A 47 20.135 9.348 24.310 1.00 35.10 C ATOM 665 CD GLU A 47 18.772 9.336 23.624 1.00 32.04 C ATOM 666 OE1 GLU A 47 18.213 8.233 23.423 1.00 53.13 O ATOM 667 OE2 GLU A 47 18.263 10.421 23.280 1.00 62.13 O1- ATOM 0 H GLU A 47 20.889 6.935 24.254 1.00 25.31 H new ATOM 0 HA GLU A 47 20.379 8.114 21.718 1.00 53.11 H new ATOM 0 HB2 GLU A 47 22.233 9.114 23.902 1.00 52.55 H new ATOM 0 HB3 GLU A 47 21.375 10.066 22.707 1.00 52.55 H new ATOM 0 HG2 GLU A 47 20.169 8.549 25.050 1.00 35.10 H new ATOM 0 HG3 GLU A 47 20.254 10.287 24.850 1.00 35.10 H new ATOM 674 N GLN A 48 23.391 6.955 22.272 1.00 41.14 N ATOM 675 CA GLN A 48 24.631 6.554 21.618 1.00 71.11 C ATOM 676 C GLN A 48 24.315 5.575 20.492 1.00 34.04 C ATOM 677 O GLN A 48 24.950 5.591 19.440 1.00 32.22 O ATOM 678 CB GLN A 48 25.577 5.925 22.656 1.00 12.45 C ATOM 679 CG GLN A 48 26.985 5.601 22.151 1.00 72.35 C ATOM 680 CD GLN A 48 27.076 4.319 21.329 1.00 3.55 C ATOM 681 OE1 GLN A 48 27.914 4.201 20.440 1.00 43.42 O ATOM 682 NE2 GLN A 48 26.229 3.345 21.631 1.00 72.04 N ATOM 0 H GLN A 48 23.298 6.621 23.231 1.00 41.14 H new ATOM 0 HA GLN A 48 25.127 7.423 21.187 1.00 71.11 H new ATOM 0 HB2 GLN A 48 25.661 6.604 23.504 1.00 12.45 H new ATOM 0 HB3 GLN A 48 25.122 5.006 23.027 1.00 12.45 H new ATOM 0 HG2 GLN A 48 27.342 6.434 21.545 1.00 72.35 H new ATOM 0 HG3 GLN A 48 27.656 5.519 23.006 1.00 72.35 H new ATOM 0 HE21 GLN A 48 25.545 3.477 22.376 1.00 72.04 H new ATOM 0 HE22 GLN A 48 26.261 2.464 21.118 1.00 72.04 H new ATOM 691 N LEU A 49 23.311 4.736 20.730 1.00 51.33 N ATOM 692 CA LEU A 49 22.880 3.743 19.754 1.00 61.13 C ATOM 693 C LEU A 49 22.359 4.446 18.497 1.00 21.55 C ATOM 694 O LEU A 49 22.724 4.080 17.377 1.00 71.11 O ATOM 695 CB LEU A 49 21.809 2.826 20.390 1.00 4.20 C ATOM 696 CG LEU A 49 21.409 1.558 19.602 1.00 31.10 C ATOM 697 CD1 LEU A 49 20.504 1.890 18.418 1.00 0.52 C ATOM 698 CD2 LEU A 49 22.650 0.793 19.141 1.00 52.41 C ATOM 0 H LEU A 49 22.777 4.726 21.599 1.00 51.33 H new ATOM 0 HA LEU A 49 23.722 3.118 19.457 1.00 61.13 H new ATOM 0 HB2 LEU A 49 22.169 2.515 21.371 1.00 4.20 H new ATOM 0 HB3 LEU A 49 20.910 3.420 20.554 1.00 4.20 H new ATOM 0 HG LEU A 49 20.840 0.918 20.277 1.00 31.10 H new ATOM 0 HD11 LEU A 49 20.245 0.973 17.890 1.00 0.52 H new ATOM 0 HD12 LEU A 49 19.594 2.370 18.779 1.00 0.52 H new ATOM 0 HD13 LEU A 49 21.026 2.565 17.739 1.00 0.52 H new ATOM 0 HD21 LEU A 49 22.345 -0.096 18.588 1.00 52.41 H new ATOM 0 HD22 LEU A 49 23.253 1.432 18.496 1.00 52.41 H new ATOM 0 HD23 LEU A 49 23.238 0.496 20.010 1.00 52.41 H new ATOM 710 N PHE A 50 21.515 5.464 18.688 1.00 3.42 N ATOM 711 CA PHE A 50 21.013 6.259 17.563 1.00 25.51 C ATOM 712 C PHE A 50 22.154 6.994 16.864 1.00 64.45 C ATOM 713 O PHE A 50 22.235 6.998 15.639 1.00 15.22 O ATOM 714 CB PHE A 50 19.951 7.266 18.028 1.00 52.14 C ATOM 715 CG PHE A 50 19.535 8.258 16.957 1.00 40.34 C ATOM 716 CD1 PHE A 50 18.698 7.882 15.910 1.00 40.14 C ATOM 717 CD2 PHE A 50 19.980 9.574 17.004 1.00 31.01 C ATOM 718 CE1 PHE A 50 18.318 8.791 14.942 1.00 11.20 C ATOM 719 CE2 PHE A 50 19.603 10.484 16.035 1.00 34.34 C ATOM 720 CZ PHE A 50 18.771 10.093 15.004 1.00 61.21 C ATOM 0 H PHE A 50 21.168 5.755 19.602 1.00 3.42 H new ATOM 0 HA PHE A 50 20.552 5.571 16.855 1.00 25.51 H new ATOM 0 HB2 PHE A 50 19.070 6.720 18.366 1.00 52.14 H new ATOM 0 HB3 PHE A 50 20.336 7.814 18.888 1.00 52.14 H new ATOM 0 HD1 PHE A 50 18.341 6.864 15.854 1.00 40.14 H new ATOM 0 HD2 PHE A 50 20.629 9.889 17.808 1.00 31.01 H new ATOM 0 HE1 PHE A 50 17.667 8.483 14.137 1.00 11.20 H new ATOM 0 HE2 PHE A 50 19.959 11.502 16.084 1.00 34.34 H new ATOM 0 HZ PHE A 50 18.476 10.805 14.248 1.00 61.21 H new ATOM 730 N ALA A 51 23.022 7.622 17.652 1.00 33.43 N ATOM 731 CA ALA A 51 24.160 8.367 17.114 1.00 33.33 C ATOM 732 C ALA A 51 25.014 7.485 16.202 1.00 4.13 C ATOM 733 O ALA A 51 25.266 7.832 15.045 1.00 52.03 O ATOM 734 CB ALA A 51 24.999 8.933 18.255 1.00 51.41 C ATOM 0 H ALA A 51 22.960 7.631 18.670 1.00 33.43 H new ATOM 0 HA ALA A 51 23.778 9.193 16.514 1.00 33.33 H new ATOM 0 HB1 ALA A 51 25.844 9.486 17.845 1.00 51.41 H new ATOM 0 HB2 ALA A 51 24.387 9.602 18.860 1.00 51.41 H new ATOM 0 HB3 ALA A 51 25.367 8.116 18.876 1.00 51.41 H new ATOM 740 N ALA A 52 25.427 6.331 16.725 1.00 32.43 N ATOM 741 CA ALA A 52 26.267 5.397 15.979 1.00 41.10 C ATOM 742 C ALA A 52 25.506 4.823 14.787 1.00 30.53 C ATOM 743 O ALA A 52 26.079 4.583 13.717 1.00 13.40 O ATOM 744 CB ALA A 52 26.754 4.276 16.893 1.00 51.43 C ATOM 0 H ALA A 52 25.192 6.020 17.668 1.00 32.43 H new ATOM 0 HA ALA A 52 27.134 5.939 15.601 1.00 41.10 H new ATOM 0 HB1 ALA A 52 27.379 3.588 16.324 1.00 51.43 H new ATOM 0 HB2 ALA A 52 27.335 4.701 17.712 1.00 51.43 H new ATOM 0 HB3 ALA A 52 25.897 3.738 17.297 1.00 51.43 H new ATOM 750 N GLY A 53 24.211 4.605 14.984 1.00 32.23 N ATOM 751 CA GLY A 53 23.368 4.097 13.923 1.00 45.35 C ATOM 752 C GLY A 53 23.214 5.092 12.791 1.00 24.44 C ATOM 753 O GLY A 53 23.246 4.719 11.623 1.00 23.31 O ATOM 0 H GLY A 53 23.729 4.773 15.867 1.00 32.23 H new ATOM 0 HA2 GLY A 53 23.792 3.171 13.536 1.00 45.35 H new ATOM 0 HA3 GLY A 53 22.385 3.853 14.327 1.00 45.35 H new ATOM 757 N TYR A 54 23.066 6.366 13.144 1.00 20.42 N ATOM 758 CA TYR A 54 22.882 7.432 12.163 1.00 1.52 C ATOM 759 C TYR A 54 24.183 7.671 11.398 1.00 10.14 C ATOM 760 O TYR A 54 24.169 7.857 10.183 1.00 3.35 O ATOM 761 CB TYR A 54 22.405 8.721 12.866 1.00 4.31 C ATOM 762 CG TYR A 54 22.096 9.903 11.947 1.00 71.40 C ATOM 763 CD1 TYR A 54 21.935 9.748 10.569 1.00 61.33 C ATOM 764 CD2 TYR A 54 21.962 11.185 12.475 1.00 12.15 C ATOM 765 CE1 TYR A 54 21.657 10.831 9.753 1.00 65.13 C ATOM 766 CE2 TYR A 54 21.681 12.269 11.666 1.00 14.31 C ATOM 767 CZ TYR A 54 21.531 12.088 10.307 1.00 61.32 C ATOM 768 OH TYR A 54 21.253 13.170 9.494 1.00 14.13 O ATOM 0 H TYR A 54 23.070 6.687 14.112 1.00 20.42 H new ATOM 0 HA TYR A 54 22.117 7.133 11.446 1.00 1.52 H new ATOM 0 HB2 TYR A 54 21.509 8.488 13.442 1.00 4.31 H new ATOM 0 HB3 TYR A 54 23.171 9.029 13.578 1.00 4.31 H new ATOM 0 HD1 TYR A 54 22.029 8.765 10.132 1.00 61.33 H new ATOM 0 HD2 TYR A 54 22.080 11.335 13.538 1.00 12.15 H new ATOM 0 HE1 TYR A 54 21.539 10.693 8.688 1.00 65.13 H new ATOM 0 HE2 TYR A 54 21.579 13.254 12.096 1.00 14.31 H new ATOM 0 HH TYR A 54 20.340 13.481 9.665 1.00 14.13 H new ATOM 778 N SER A 55 25.306 7.645 12.107 1.00 11.10 N ATOM 779 CA SER A 55 26.605 7.837 11.476 1.00 22.53 C ATOM 780 C SER A 55 26.896 6.694 10.499 1.00 50.31 C ATOM 781 O SER A 55 27.278 6.925 9.348 1.00 23.31 O ATOM 782 CB SER A 55 27.698 7.939 12.546 1.00 0.44 C ATOM 783 OG SER A 55 27.600 6.877 13.473 1.00 35.10 O ATOM 0 H SER A 55 25.343 7.493 13.115 1.00 11.10 H new ATOM 0 HA SER A 55 26.592 8.768 10.910 1.00 22.53 H new ATOM 0 HB2 SER A 55 28.679 7.923 12.071 1.00 0.44 H new ATOM 0 HB3 SER A 55 27.612 8.892 13.069 1.00 0.44 H new ATOM 0 HG SER A 55 26.884 7.068 14.115 1.00 35.10 H new ATOM 789 N ALA A 56 26.681 5.460 10.958 1.00 25.24 N ATOM 790 CA ALA A 56 26.883 4.276 10.124 1.00 63.14 C ATOM 791 C ALA A 56 25.884 4.249 8.966 1.00 34.41 C ATOM 792 O ALA A 56 26.225 3.881 7.838 1.00 72.41 O ATOM 793 CB ALA A 56 26.764 3.008 10.962 1.00 2.41 C ATOM 0 H ALA A 56 26.366 5.255 11.906 1.00 25.24 H new ATOM 0 HA ALA A 56 27.888 4.322 9.704 1.00 63.14 H new ATOM 0 HB1 ALA A 56 26.917 2.136 10.326 1.00 2.41 H new ATOM 0 HB2 ALA A 56 27.518 3.020 11.749 1.00 2.41 H new ATOM 0 HB3 ALA A 56 25.772 2.960 11.411 1.00 2.41 H new ATOM 799 N CYS A 57 24.648 4.645 9.259 1.00 43.11 N ATOM 800 CA CYS A 57 23.596 4.702 8.250 1.00 65.50 C ATOM 801 C CYS A 57 23.901 5.778 7.217 1.00 1.30 C ATOM 802 O CYS A 57 23.623 5.609 6.031 1.00 31.43 O ATOM 803 CB CYS A 57 22.233 4.979 8.900 1.00 74.40 C ATOM 804 SG CYS A 57 20.856 5.053 7.731 1.00 3.24 S ATOM 0 H CYS A 57 24.350 4.932 10.191 1.00 43.11 H new ATOM 0 HA CYS A 57 23.558 3.733 7.751 1.00 65.50 H new ATOM 0 HB2 CYS A 57 22.029 4.201 9.636 1.00 74.40 H new ATOM 0 HB3 CYS A 57 22.286 5.923 9.441 1.00 74.40 H new ATOM 0 HG CYS A 57 21.304 5.368 6.552 1.00 3.24 H new ATOM 810 N PHE A 58 24.482 6.885 7.671 1.00 12.51 N ATOM 811 CA PHE A 58 24.790 8.002 6.793 1.00 55.51 C ATOM 812 C PHE A 58 25.952 7.640 5.876 1.00 60.31 C ATOM 813 O PHE A 58 26.012 8.075 4.726 1.00 54.45 O ATOM 814 CB PHE A 58 25.128 9.255 7.611 1.00 64.12 C ATOM 815 CG PHE A 58 25.125 10.514 6.790 1.00 32.51 C ATOM 816 CD1 PHE A 58 26.291 10.996 6.210 1.00 53.31 C ATOM 817 CD2 PHE A 58 23.942 11.206 6.582 1.00 40.52 C ATOM 818 CE1 PHE A 58 26.274 12.141 5.443 1.00 60.42 C ATOM 819 CE2 PHE A 58 23.922 12.353 5.820 1.00 51.42 C ATOM 820 CZ PHE A 58 25.088 12.821 5.248 1.00 5.31 C ATOM 0 H PHE A 58 24.748 7.029 8.645 1.00 12.51 H new ATOM 0 HA PHE A 58 23.912 8.217 6.184 1.00 55.51 H new ATOM 0 HB2 PHE A 58 24.408 9.356 8.423 1.00 64.12 H new ATOM 0 HB3 PHE A 58 26.109 9.129 8.069 1.00 64.12 H new ATOM 0 HD1 PHE A 58 27.221 10.468 6.362 1.00 53.31 H new ATOM 0 HD2 PHE A 58 23.026 10.842 7.022 1.00 40.52 H new ATOM 0 HE1 PHE A 58 27.187 12.506 4.995 1.00 60.42 H new ATOM 0 HE2 PHE A 58 22.995 12.886 5.670 1.00 51.42 H new ATOM 0 HZ PHE A 58 25.073 13.719 4.648 1.00 5.31 H new ATOM 830 N LEU A 59 26.877 6.839 6.401 1.00 64.51 N ATOM 831 CA LEU A 59 28.017 6.363 5.625 1.00 63.33 C ATOM 832 C LEU A 59 27.511 5.491 4.474 1.00 14.15 C ATOM 833 O LEU A 59 27.849 5.714 3.308 1.00 3.51 O ATOM 834 CB LEU A 59 28.979 5.569 6.536 1.00 74.12 C ATOM 835 CG LEU A 59 30.429 5.396 6.029 1.00 31.41 C ATOM 836 CD1 LEU A 59 30.496 4.520 4.776 1.00 61.22 C ATOM 837 CD2 LEU A 59 31.073 6.760 5.777 1.00 2.33 C ATOM 0 H LEU A 59 26.858 6.506 7.365 1.00 64.51 H new ATOM 0 HA LEU A 59 28.564 7.210 5.212 1.00 63.33 H new ATOM 0 HB2 LEU A 59 29.014 6.063 7.507 1.00 74.12 H new ATOM 0 HB3 LEU A 59 28.554 4.578 6.698 1.00 74.12 H new ATOM 0 HG LEU A 59 30.992 4.883 6.809 1.00 31.41 H new ATOM 0 HD11 LEU A 59 31.533 4.425 4.454 1.00 61.22 H new ATOM 0 HD12 LEU A 59 30.094 3.532 5.001 1.00 61.22 H new ATOM 0 HD13 LEU A 59 29.909 4.978 3.980 1.00 61.22 H new ATOM 0 HD21 LEU A 59 32.094 6.620 5.421 1.00 2.33 H new ATOM 0 HD22 LEU A 59 30.497 7.301 5.026 1.00 2.33 H new ATOM 0 HD23 LEU A 59 31.088 7.332 6.705 1.00 2.33 H new ATOM 849 N SER A 60 26.681 4.511 4.813 1.00 34.05 N ATOM 850 CA SER A 60 26.119 3.598 3.823 1.00 74.40 C ATOM 851 C SER A 60 25.190 4.346 2.860 1.00 42.34 C ATOM 852 O SER A 60 25.151 4.048 1.660 1.00 41.15 O ATOM 853 CB SER A 60 25.385 2.449 4.531 1.00 52.34 C ATOM 854 OG SER A 60 24.569 2.936 5.583 1.00 74.20 O ATOM 0 H SER A 60 26.381 4.327 5.770 1.00 34.05 H new ATOM 0 HA SER A 60 26.929 3.174 3.230 1.00 74.40 H new ATOM 0 HB2 SER A 60 24.771 1.907 3.811 1.00 52.34 H new ATOM 0 HB3 SER A 60 26.111 1.740 4.928 1.00 52.34 H new ATOM 0 HG SER A 60 24.392 3.890 5.445 1.00 74.20 H new ATOM 860 N ALA A 61 24.466 5.331 3.393 1.00 5.22 N ATOM 861 CA ALA A 61 23.579 6.169 2.586 1.00 61.10 C ATOM 862 C ALA A 61 24.376 6.959 1.553 1.00 23.52 C ATOM 863 O ALA A 61 24.061 6.926 0.367 1.00 64.15 O ATOM 864 CB ALA A 61 22.775 7.113 3.477 1.00 23.00 C ATOM 0 H ALA A 61 24.477 5.569 4.385 1.00 5.22 H new ATOM 0 HA ALA A 61 22.883 5.518 2.057 1.00 61.10 H new ATOM 0 HB1 ALA A 61 22.121 7.728 2.859 1.00 23.00 H new ATOM 0 HB2 ALA A 61 22.173 6.531 4.174 1.00 23.00 H new ATOM 0 HB3 ALA A 61 23.456 7.755 4.035 1.00 23.00 H new ATOM 870 N MET A 62 25.417 7.656 2.008 1.00 1.42 N ATOM 871 CA MET A 62 26.291 8.414 1.108 1.00 22.23 C ATOM 872 C MET A 62 26.929 7.496 0.072 1.00 52.25 C ATOM 873 O MET A 62 27.181 7.904 -1.061 1.00 52.11 O ATOM 874 CB MET A 62 27.382 9.163 1.891 1.00 12.31 C ATOM 875 CG MET A 62 26.944 10.528 2.401 1.00 13.45 C ATOM 876 SD MET A 62 26.438 11.636 1.065 1.00 13.34 S ATOM 877 CE MET A 62 27.897 11.620 0.018 1.00 61.32 C ATOM 0 H MET A 62 25.677 7.713 2.993 1.00 1.42 H new ATOM 0 HA MET A 62 25.673 9.149 0.592 1.00 22.23 H new ATOM 0 HB2 MET A 62 27.693 8.552 2.738 1.00 12.31 H new ATOM 0 HB3 MET A 62 28.255 9.288 1.251 1.00 12.31 H new ATOM 0 HG2 MET A 62 26.116 10.403 3.099 1.00 13.45 H new ATOM 0 HG3 MET A 62 27.763 10.985 2.957 1.00 13.45 H new ATOM 0 HE1 MET A 62 27.880 12.487 -0.643 1.00 61.32 H new ATOM 0 HE2 MET A 62 28.791 11.655 0.640 1.00 61.32 H new ATOM 0 HE3 MET A 62 27.906 10.708 -0.579 1.00 61.32 H new ATOM 887 N LYS A 63 27.197 6.258 0.472 1.00 50.31 N ATOM 888 CA LYS A 63 27.715 5.251 -0.445 1.00 32.21 C ATOM 889 C LYS A 63 26.685 4.949 -1.533 1.00 55.33 C ATOM 890 O LYS A 63 27.027 4.852 -2.712 1.00 31.21 O ATOM 891 CB LYS A 63 28.093 3.980 0.327 1.00 32.54 C ATOM 892 CG LYS A 63 28.419 2.776 -0.558 1.00 62.32 C ATOM 893 CD LYS A 63 29.001 1.622 0.254 1.00 52.53 C ATOM 894 CE LYS A 63 28.166 1.313 1.493 1.00 52.13 C ATOM 895 NZ LYS A 63 26.791 0.843 1.162 1.00 51.23 N1+ ATOM 0 H LYS A 63 27.063 5.928 1.428 1.00 50.31 H new ATOM 0 HA LYS A 63 28.614 5.635 -0.928 1.00 32.21 H new ATOM 0 HB2 LYS A 63 28.955 4.196 0.958 1.00 32.54 H new ATOM 0 HB3 LYS A 63 27.270 3.715 0.991 1.00 32.54 H new ATOM 0 HG2 LYS A 63 27.515 2.443 -1.068 1.00 62.32 H new ATOM 0 HG3 LYS A 63 29.129 3.073 -1.330 1.00 62.32 H new ATOM 0 HD2 LYS A 63 29.061 0.732 -0.373 1.00 52.53 H new ATOM 0 HD3 LYS A 63 30.019 1.869 0.556 1.00 52.53 H new ATOM 0 HE2 LYS A 63 28.672 0.551 2.086 1.00 52.13 H new ATOM 0 HE3 LYS A 63 28.100 2.207 2.113 1.00 52.13 H new ATOM 0 HZ1 LYS A 63 26.176 0.955 1.993 1.00 51.23 H new ATOM 0 HZ2 LYS A 63 26.412 1.405 0.373 1.00 51.23 H new ATOM 0 HZ3 LYS A 63 26.823 -0.160 0.888 1.00 51.23 H new ATOM 909 N PHE A 64 25.421 4.816 -1.130 1.00 54.13 N ATOM 910 CA PHE A 64 24.332 4.609 -2.084 1.00 15.41 C ATOM 911 C PHE A 64 24.195 5.831 -2.994 1.00 43.31 C ATOM 912 O PHE A 64 24.041 5.704 -4.210 1.00 31.42 O ATOM 913 CB PHE A 64 23.011 4.335 -1.351 1.00 54.23 C ATOM 914 CG PHE A 64 21.836 4.177 -2.283 1.00 22.52 C ATOM 915 CD1 PHE A 64 21.671 3.013 -3.022 1.00 70.34 C ATOM 916 CD2 PHE A 64 20.906 5.196 -2.429 1.00 44.41 C ATOM 917 CE1 PHE A 64 20.603 2.869 -3.885 1.00 70.35 C ATOM 918 CE2 PHE A 64 19.835 5.057 -3.290 1.00 31.33 C ATOM 919 CZ PHE A 64 19.683 3.892 -4.020 1.00 62.32 C ATOM 0 H PHE A 64 25.127 4.848 -0.154 1.00 54.13 H new ATOM 0 HA PHE A 64 24.567 3.738 -2.696 1.00 15.41 H new ATOM 0 HB2 PHE A 64 23.116 3.430 -0.753 1.00 54.23 H new ATOM 0 HB3 PHE A 64 22.810 5.153 -0.659 1.00 54.23 H new ATOM 0 HD1 PHE A 64 22.387 2.211 -2.920 1.00 70.34 H new ATOM 0 HD2 PHE A 64 21.021 6.109 -1.863 1.00 44.41 H new ATOM 0 HE1 PHE A 64 20.486 1.958 -4.454 1.00 70.35 H new ATOM 0 HE2 PHE A 64 19.117 5.857 -3.393 1.00 31.33 H new ATOM 0 HZ PHE A 64 18.847 3.782 -4.695 1.00 62.32 H new ATOM 929 N VAL A 65 24.270 7.015 -2.392 1.00 22.12 N ATOM 930 CA VAL A 65 24.244 8.266 -3.139 1.00 1.13 C ATOM 931 C VAL A 65 25.369 8.286 -4.170 1.00 2.04 C ATOM 932 O VAL A 65 25.164 8.642 -5.333 1.00 1.42 O ATOM 933 CB VAL A 65 24.381 9.494 -2.205 1.00 51.41 C ATOM 934 CG1 VAL A 65 24.594 10.770 -3.016 1.00 35.23 C ATOM 935 CG2 VAL A 65 23.154 9.624 -1.300 1.00 41.32 C ATOM 0 H VAL A 65 24.350 7.133 -1.382 1.00 22.12 H new ATOM 0 HA VAL A 65 23.279 8.326 -3.642 1.00 1.13 H new ATOM 0 HB VAL A 65 25.256 9.345 -1.572 1.00 51.41 H new ATOM 0 HG11 VAL A 65 24.688 11.620 -2.340 1.00 35.23 H new ATOM 0 HG12 VAL A 65 25.504 10.677 -3.609 1.00 35.23 H new ATOM 0 HG13 VAL A 65 23.743 10.926 -3.679 1.00 35.23 H new ATOM 0 HG21 VAL A 65 23.270 10.493 -0.652 1.00 41.32 H new ATOM 0 HG22 VAL A 65 22.261 9.746 -1.913 1.00 41.32 H new ATOM 0 HG23 VAL A 65 23.055 8.726 -0.689 1.00 41.32 H new ATOM 945 N ALA A 66 26.554 7.884 -3.737 1.00 10.53 N ATOM 946 CA ALA A 66 27.706 7.800 -4.620 1.00 34.24 C ATOM 947 C ALA A 66 27.435 6.792 -5.731 1.00 52.01 C ATOM 948 O ALA A 66 27.916 6.936 -6.853 1.00 55.45 O ATOM 949 CB ALA A 66 28.954 7.418 -3.827 1.00 2.15 C ATOM 0 H ALA A 66 26.743 7.609 -2.773 1.00 10.53 H new ATOM 0 HA ALA A 66 27.881 8.775 -5.074 1.00 34.24 H new ATOM 0 HB1 ALA A 66 29.809 7.359 -4.500 1.00 2.15 H new ATOM 0 HB2 ALA A 66 29.145 8.172 -3.064 1.00 2.15 H new ATOM 0 HB3 ALA A 66 28.800 6.450 -3.350 1.00 2.15 H new ATOM 955 N GLY A 67 26.606 5.806 -5.413 1.00 41.30 N ATOM 956 CA GLY A 67 26.284 4.749 -6.355 1.00 41.44 C ATOM 957 C GLY A 67 25.376 5.230 -7.470 1.00 65.01 C ATOM 958 O GLY A 67 25.474 4.762 -8.605 1.00 24.21 O ATOM 0 H GLY A 67 26.145 5.719 -4.507 1.00 41.30 H new ATOM 0 HA2 GLY A 67 27.205 4.354 -6.784 1.00 41.44 H new ATOM 0 HA3 GLY A 67 25.802 3.928 -5.825 1.00 41.44 H new ATOM 962 N GLN A 68 24.515 6.195 -7.151 1.00 2.22 N ATOM 963 CA GLN A 68 23.568 6.737 -8.125 1.00 3.22 C ATOM 964 C GLN A 68 24.187 7.950 -8.801 1.00 13.50 C ATOM 965 O GLN A 68 23.777 8.363 -9.889 1.00 73.33 O ATOM 966 CB GLN A 68 22.237 7.107 -7.453 1.00 70.02 C ATOM 967 CG GLN A 68 22.386 8.051 -6.265 1.00 23.14 C ATOM 968 CD GLN A 68 21.059 8.546 -5.704 1.00 11.52 C ATOM 969 OE1 GLN A 68 20.943 8.806 -4.507 1.00 54.51 O ATOM 970 NE2 GLN A 68 20.056 8.696 -6.559 1.00 55.13 N ATOM 0 H GLN A 68 24.453 6.618 -6.225 1.00 2.22 H new ATOM 0 HA GLN A 68 23.354 5.976 -8.875 1.00 3.22 H new ATOM 0 HB2 GLN A 68 21.584 7.570 -8.193 1.00 70.02 H new ATOM 0 HB3 GLN A 68 21.744 6.194 -7.119 1.00 70.02 H new ATOM 0 HG2 GLN A 68 22.937 7.541 -5.474 1.00 23.14 H new ATOM 0 HG3 GLN A 68 22.985 8.910 -6.568 1.00 23.14 H new ATOM 0 HE21 GLN A 68 20.188 8.471 -7.545 1.00 55.13 H new ATOM 0 HE22 GLN A 68 19.153 9.037 -6.231 1.00 55.13 H new ATOM 979 N ASN A 69 25.196 8.506 -8.143 1.00 45.10 N ATOM 980 CA ASN A 69 25.972 9.614 -8.684 1.00 61.12 C ATOM 981 C ASN A 69 27.201 9.094 -9.420 1.00 41.24 C ATOM 982 O ASN A 69 27.982 9.862 -9.984 1.00 42.44 O ATOM 983 CB ASN A 69 26.367 10.576 -7.555 1.00 43.31 C ATOM 984 CG ASN A 69 25.265 11.568 -7.214 1.00 21.20 C ATOM 985 OD1 ASN A 69 25.232 12.682 -7.738 1.00 73.01 O ATOM 986 ND2 ASN A 69 24.353 11.172 -6.339 1.00 73.35 N ATOM 0 H ASN A 69 25.500 8.201 -7.218 1.00 45.10 H new ATOM 0 HA ASN A 69 25.361 10.161 -9.402 1.00 61.12 H new ATOM 0 HB2 ASN A 69 26.620 10.000 -6.665 1.00 43.31 H new ATOM 0 HB3 ASN A 69 27.264 11.122 -7.846 1.00 43.31 H new ATOM 0 HD21 ASN A 69 23.591 11.798 -6.079 1.00 73.35 H new ATOM 0 HD22 ASN A 69 24.413 10.241 -5.926 1.00 73.35 H new ATOM 993 N LYS A 70 27.350 7.772 -9.398 1.00 63.25 N ATOM 994 CA LYS A 70 28.376 7.063 -10.164 1.00 32.31 C ATOM 995 C LYS A 70 29.777 7.458 -9.708 1.00 12.34 C ATOM 996 O LYS A 70 30.762 7.252 -10.420 1.00 70.50 O ATOM 997 CB LYS A 70 28.217 7.308 -11.676 1.00 4.35 C ATOM 998 CG LYS A 70 26.772 7.339 -12.187 1.00 13.20 C ATOM 999 CD LYS A 70 25.880 6.294 -11.521 1.00 32.43 C ATOM 1000 CE LYS A 70 24.580 6.078 -12.293 1.00 4.32 C ATOM 1001 NZ LYS A 70 23.836 7.347 -12.515 1.00 52.12 N1+ ATOM 0 H LYS A 70 26.757 7.155 -8.843 1.00 63.25 H new ATOM 0 HA LYS A 70 28.241 5.998 -9.976 1.00 32.31 H new ATOM 0 HB2 LYS A 70 28.694 8.256 -11.926 1.00 4.35 H new ATOM 0 HB3 LYS A 70 28.758 6.528 -12.212 1.00 4.35 H new ATOM 0 HG2 LYS A 70 26.353 8.330 -12.014 1.00 13.20 H new ATOM 0 HG3 LYS A 70 26.770 7.176 -13.265 1.00 13.20 H new ATOM 0 HD2 LYS A 70 26.420 5.350 -11.448 1.00 32.43 H new ATOM 0 HD3 LYS A 70 25.650 6.609 -10.503 1.00 32.43 H new ATOM 0 HE2 LYS A 70 24.804 5.618 -13.255 1.00 4.32 H new ATOM 0 HE3 LYS A 70 23.947 5.380 -11.746 1.00 4.32 H new ATOM 0 HZ1 LYS A 70 22.889 7.134 -12.888 1.00 52.12 H new ATOM 0 HZ2 LYS A 70 23.746 7.859 -11.614 1.00 52.12 H new ATOM 0 HZ3 LYS A 70 24.352 7.937 -13.198 1.00 52.12 H new ATOM 1015 N GLN A 71 29.858 7.984 -8.501 1.00 41.25 N ATOM 1016 CA GLN A 71 31.120 8.425 -7.924 1.00 41.44 C ATOM 1017 C GLN A 71 31.562 7.456 -6.834 1.00 11.15 C ATOM 1018 O GLN A 71 30.795 6.587 -6.416 1.00 3.32 O ATOM 1019 CB GLN A 71 30.995 9.846 -7.353 1.00 65.11 C ATOM 1020 CG GLN A 71 29.771 10.043 -6.470 1.00 11.32 C ATOM 1021 CD GLN A 71 29.956 11.113 -5.411 1.00 14.24 C ATOM 1022 OE1 GLN A 71 29.734 12.299 -5.649 1.00 4.02 O ATOM 1023 NE2 GLN A 71 30.327 10.681 -4.221 1.00 60.02 N ATOM 0 H GLN A 71 29.052 8.119 -7.890 1.00 41.25 H new ATOM 0 HA GLN A 71 31.872 8.441 -8.713 1.00 41.44 H new ATOM 0 HB2 GLN A 71 31.890 10.076 -6.775 1.00 65.11 H new ATOM 0 HB3 GLN A 71 30.956 10.558 -8.178 1.00 65.11 H new ATOM 0 HG2 GLN A 71 28.919 10.307 -7.097 1.00 11.32 H new ATOM 0 HG3 GLN A 71 29.528 9.099 -5.983 1.00 11.32 H new ATOM 0 HE21 GLN A 71 30.500 9.687 -4.070 1.00 60.02 H new ATOM 0 HE22 GLN A 71 30.441 11.341 -3.452 1.00 60.02 H new ATOM 1032 N THR A 72 32.796 7.607 -6.381 1.00 0.13 N ATOM 1033 CA THR A 72 33.342 6.767 -5.325 1.00 33.54 C ATOM 1034 C THR A 72 33.921 7.622 -4.206 1.00 64.51 C ATOM 1035 O THR A 72 34.655 8.584 -4.454 1.00 2.32 O ATOM 1036 CB THR A 72 34.436 5.814 -5.865 1.00 55.21 C ATOM 1037 OG1 THR A 72 35.373 6.549 -6.662 1.00 1.42 O ATOM 1038 CG2 THR A 72 33.827 4.690 -6.693 1.00 71.13 C ATOM 0 H THR A 72 33.445 8.311 -6.732 1.00 0.13 H new ATOM 0 HA THR A 72 32.522 6.165 -4.934 1.00 33.54 H new ATOM 0 HB THR A 72 34.950 5.371 -5.012 1.00 55.21 H new ATOM 0 HG1 THR A 72 36.063 5.941 -6.999 1.00 1.42 H new ATOM 0 HG21 THR A 72 34.619 4.037 -7.059 1.00 71.13 H new ATOM 0 HG22 THR A 72 33.139 4.114 -6.074 1.00 71.13 H new ATOM 0 HG23 THR A 72 33.286 5.113 -7.539 1.00 71.13 H new ATOM 1046 N LEU A 73 33.561 7.284 -2.978 1.00 24.22 N ATOM 1047 CA LEU A 73 34.097 7.949 -1.798 1.00 2.33 C ATOM 1048 C LEU A 73 35.034 6.996 -1.058 1.00 44.11 C ATOM 1049 O LEU A 73 34.750 5.801 -0.962 1.00 52.40 O ATOM 1050 CB LEU A 73 32.965 8.458 -0.885 1.00 54.54 C ATOM 1051 CG LEU A 73 31.602 7.802 -1.109 1.00 53.14 C ATOM 1052 CD1 LEU A 73 31.599 6.345 -0.645 1.00 63.13 C ATOM 1053 CD2 LEU A 73 30.494 8.597 -0.418 1.00 44.41 C ATOM 0 H LEU A 73 32.891 6.543 -2.770 1.00 24.22 H new ATOM 0 HA LEU A 73 34.668 8.824 -2.109 1.00 2.33 H new ATOM 0 HB2 LEU A 73 33.259 8.302 0.153 1.00 54.54 H new ATOM 0 HB3 LEU A 73 32.860 9.533 -1.028 1.00 54.54 H new ATOM 0 HG LEU A 73 31.406 7.807 -2.181 1.00 53.14 H new ATOM 0 HD11 LEU A 73 30.615 5.910 -0.819 1.00 63.13 H new ATOM 0 HD12 LEU A 73 32.348 5.784 -1.204 1.00 63.13 H new ATOM 0 HD13 LEU A 73 31.832 6.301 0.419 1.00 63.13 H new ATOM 0 HD21 LEU A 73 29.534 8.110 -0.592 1.00 44.41 H new ATOM 0 HD22 LEU A 73 30.690 8.639 0.653 1.00 44.41 H new ATOM 0 HD23 LEU A 73 30.466 9.609 -0.822 1.00 44.41 H new ATOM 1065 N PRO A 74 36.176 7.501 -0.552 1.00 14.33 N ATOM 1066 CA PRO A 74 37.162 6.669 0.150 1.00 71.54 C ATOM 1067 C PRO A 74 36.546 5.908 1.320 1.00 22.35 C ATOM 1068 O PRO A 74 36.062 6.520 2.269 1.00 71.04 O ATOM 1069 CB PRO A 74 38.185 7.683 0.674 1.00 0.31 C ATOM 1070 CG PRO A 74 38.045 8.870 -0.217 1.00 75.32 C ATOM 1071 CD PRO A 74 36.594 8.918 -0.617 1.00 21.31 C ATOM 0 HA PRO A 74 37.586 5.910 -0.507 1.00 71.54 H new ATOM 0 HB2 PRO A 74 37.985 7.944 1.713 1.00 0.31 H new ATOM 0 HB3 PRO A 74 39.196 7.278 0.636 1.00 0.31 H new ATOM 0 HG2 PRO A 74 38.338 9.783 0.301 1.00 75.32 H new ATOM 0 HG3 PRO A 74 38.688 8.779 -1.092 1.00 75.32 H new ATOM 0 HD2 PRO A 74 36.010 9.541 0.061 1.00 21.31 H new ATOM 0 HD3 PRO A 74 36.466 9.330 -1.618 1.00 21.31 H new ATOM 1079 N ALA A 75 36.592 4.581 1.270 1.00 74.43 N ATOM 1080 CA ALA A 75 36.041 3.753 2.341 1.00 72.21 C ATOM 1081 C ALA A 75 36.899 3.836 3.600 1.00 34.41 C ATOM 1082 O ALA A 75 36.598 3.222 4.623 1.00 42.34 O ATOM 1083 CB ALA A 75 35.892 2.307 1.876 1.00 2.05 C ATOM 0 H ALA A 75 37.005 4.054 0.500 1.00 74.43 H new ATOM 0 HA ALA A 75 35.052 4.137 2.591 1.00 72.21 H new ATOM 0 HB1 ALA A 75 35.480 1.705 2.686 1.00 2.05 H new ATOM 0 HB2 ALA A 75 35.221 2.268 1.018 1.00 2.05 H new ATOM 0 HB3 ALA A 75 36.868 1.914 1.591 1.00 2.05 H new ATOM 1089 N ASP A 76 37.964 4.616 3.510 1.00 35.21 N ATOM 1090 CA ASP A 76 38.868 4.840 4.628 1.00 24.42 C ATOM 1091 C ASP A 76 38.408 6.044 5.453 1.00 33.35 C ATOM 1092 O ASP A 76 39.124 6.526 6.330 1.00 61.01 O ATOM 1093 CB ASP A 76 40.284 5.050 4.087 1.00 72.44 C ATOM 1094 CG ASP A 76 41.346 5.091 5.178 1.00 23.12 C ATOM 1095 OD1 ASP A 76 41.295 4.245 6.095 1.00 55.31 O ATOM 1096 OD2 ASP A 76 42.254 5.950 5.106 1.00 42.23 O1- ATOM 0 H ASP A 76 38.227 5.113 2.659 1.00 35.21 H new ATOM 0 HA ASP A 76 38.864 3.971 5.286 1.00 24.42 H new ATOM 0 HB2 ASP A 76 40.521 4.247 3.389 1.00 72.44 H new ATOM 0 HB3 ASP A 76 40.316 5.983 3.524 1.00 72.44 H new ATOM 1101 N THR A 77 37.204 6.524 5.162 1.00 11.55 N ATOM 1102 CA THR A 77 36.621 7.650 5.885 1.00 12.43 C ATOM 1103 C THR A 77 35.937 7.175 7.169 1.00 50.31 C ATOM 1104 O THR A 77 35.488 6.027 7.259 1.00 30.02 O ATOM 1105 CB THR A 77 35.592 8.403 5.005 1.00 41.10 C ATOM 1106 OG1 THR A 77 35.003 9.495 5.722 1.00 73.42 O ATOM 1107 CG2 THR A 77 34.486 7.472 4.521 1.00 73.22 C ATOM 0 H THR A 77 36.608 6.148 4.425 1.00 11.55 H new ATOM 0 HA THR A 77 37.433 8.330 6.141 1.00 12.43 H new ATOM 0 HB THR A 77 36.135 8.788 4.142 1.00 41.10 H new ATOM 0 HG1 THR A 77 35.643 9.836 6.381 1.00 73.42 H new ATOM 0 HG21 THR A 77 33.781 8.033 3.907 1.00 73.22 H new ATOM 0 HG22 THR A 77 34.921 6.666 3.930 1.00 73.22 H new ATOM 0 HG23 THR A 77 33.963 7.051 5.380 1.00 73.22 H new ATOM 1115 N THR A 78 35.867 8.060 8.161 1.00 13.54 N ATOM 1116 CA THR A 78 35.149 7.778 9.395 1.00 2.03 C ATOM 1117 C THR A 78 34.163 8.893 9.717 1.00 41.21 C ATOM 1118 O THR A 78 34.386 10.059 9.380 1.00 33.42 O ATOM 1119 CB THR A 78 36.117 7.592 10.589 1.00 65.01 C ATOM 1120 OG1 THR A 78 37.232 8.491 10.472 1.00 41.13 O ATOM 1121 CG2 THR A 78 36.614 6.156 10.678 1.00 52.04 C ATOM 0 H THR A 78 36.302 8.982 8.131 1.00 13.54 H new ATOM 0 HA THR A 78 34.605 6.847 9.239 1.00 2.03 H new ATOM 0 HB THR A 78 35.568 7.819 11.503 1.00 65.01 H new ATOM 0 HG1 THR A 78 37.835 8.365 11.234 1.00 41.13 H new ATOM 0 HG21 THR A 78 37.292 6.057 11.526 1.00 52.04 H new ATOM 0 HG22 THR A 78 35.766 5.485 10.811 1.00 52.04 H new ATOM 0 HG23 THR A 78 37.141 5.896 9.760 1.00 52.04 H new ATOM 1129 N VAL A 79 33.073 8.516 10.368 1.00 13.33 N ATOM 1130 CA VAL A 79 32.093 9.468 10.869 1.00 51.35 C ATOM 1131 C VAL A 79 31.905 9.240 12.354 1.00 40.33 C ATOM 1132 O VAL A 79 31.363 8.219 12.781 1.00 15.54 O ATOM 1133 CB VAL A 79 30.734 9.360 10.137 1.00 73.54 C ATOM 1134 CG1 VAL A 79 29.689 10.266 10.790 1.00 32.33 C ATOM 1135 CG2 VAL A 79 30.904 9.723 8.671 1.00 4.51 C ATOM 0 H VAL A 79 32.843 7.542 10.564 1.00 13.33 H new ATOM 0 HA VAL A 79 32.471 10.473 10.681 1.00 51.35 H new ATOM 0 HB VAL A 79 30.383 8.331 10.211 1.00 73.54 H new ATOM 0 HG11 VAL A 79 28.743 10.172 10.258 1.00 32.33 H new ATOM 0 HG12 VAL A 79 29.551 9.971 11.830 1.00 32.33 H new ATOM 0 HG13 VAL A 79 30.028 11.301 10.748 1.00 32.33 H new ATOM 0 HG21 VAL A 79 29.943 9.644 8.163 1.00 4.51 H new ATOM 0 HG22 VAL A 79 31.275 10.745 8.590 1.00 4.51 H new ATOM 0 HG23 VAL A 79 31.616 9.041 8.207 1.00 4.51 H new ATOM 1145 N THR A 80 32.373 10.192 13.129 1.00 3.21 N ATOM 1146 CA THR A 80 32.407 10.063 14.578 1.00 52.54 C ATOM 1147 C THR A 80 31.207 10.768 15.212 1.00 43.34 C ATOM 1148 O THR A 80 31.086 11.988 15.147 1.00 4.30 O ATOM 1149 CB THR A 80 33.717 10.646 15.156 1.00 61.00 C ATOM 1150 OG1 THR A 80 34.834 10.207 14.369 1.00 41.24 O ATOM 1151 CG2 THR A 80 33.918 10.207 16.603 1.00 20.33 C ATOM 0 H THR A 80 32.741 11.077 12.779 1.00 3.21 H new ATOM 0 HA THR A 80 32.362 9.000 14.816 1.00 52.54 H new ATOM 0 HB THR A 80 33.647 11.733 15.126 1.00 61.00 H new ATOM 0 HG1 THR A 80 35.661 10.581 14.738 1.00 41.24 H new ATOM 0 HG21 THR A 80 34.846 10.630 16.986 1.00 20.33 H new ATOM 0 HG22 THR A 80 33.082 10.557 17.209 1.00 20.33 H new ATOM 0 HG23 THR A 80 33.969 9.119 16.649 1.00 20.33 H new ATOM 1159 N ALA A 81 30.326 9.988 15.822 1.00 63.21 N ATOM 1160 CA ALA A 81 29.128 10.517 16.457 1.00 75.00 C ATOM 1161 C ALA A 81 29.340 10.619 17.963 1.00 14.40 C ATOM 1162 O ALA A 81 29.357 9.608 18.668 1.00 73.21 O ATOM 1163 CB ALA A 81 27.925 9.637 16.139 1.00 42.42 C ATOM 0 H ALA A 81 30.421 8.975 15.891 1.00 63.21 H new ATOM 0 HA ALA A 81 28.931 11.515 16.065 1.00 75.00 H new ATOM 0 HB1 ALA A 81 27.037 10.046 16.621 1.00 42.42 H new ATOM 0 HB2 ALA A 81 27.771 9.607 15.060 1.00 42.42 H new ATOM 0 HB3 ALA A 81 28.105 8.627 16.508 1.00 42.42 H new ATOM 1169 N GLU A 82 29.533 11.837 18.447 1.00 71.31 N ATOM 1170 CA GLU A 82 29.748 12.080 19.866 1.00 72.51 C ATOM 1171 C GLU A 82 28.500 12.738 20.454 1.00 53.13 C ATOM 1172 O GLU A 82 28.223 13.907 20.197 1.00 25.01 O ATOM 1173 CB GLU A 82 30.990 12.964 20.040 1.00 74.00 C ATOM 1174 CG GLU A 82 31.501 13.073 21.469 1.00 3.23 C ATOM 1175 CD GLU A 82 32.872 13.728 21.533 1.00 23.22 C ATOM 1176 OE1 GLU A 82 33.886 13.009 21.383 1.00 3.55 O ATOM 1177 OE2 GLU A 82 32.943 14.963 21.704 1.00 51.44 O1- ATOM 0 H GLU A 82 29.545 12.679 17.872 1.00 71.31 H new ATOM 0 HA GLU A 82 29.920 11.144 20.397 1.00 72.51 H new ATOM 0 HB2 GLU A 82 31.789 12.570 19.412 1.00 74.00 H new ATOM 0 HB3 GLU A 82 30.761 13.965 19.674 1.00 74.00 H new ATOM 0 HG2 GLU A 82 30.794 13.651 22.064 1.00 3.23 H new ATOM 0 HG3 GLU A 82 31.553 12.079 21.913 1.00 3.23 H new ATOM 1184 N VAL A 83 27.754 11.975 21.242 1.00 31.40 N ATOM 1185 CA VAL A 83 26.431 12.393 21.708 1.00 74.25 C ATOM 1186 C VAL A 83 26.427 12.653 23.213 1.00 12.15 C ATOM 1187 O VAL A 83 27.002 11.892 23.988 1.00 3.30 O ATOM 1188 CB VAL A 83 25.358 11.326 21.357 1.00 22.15 C ATOM 1189 CG1 VAL A 83 25.714 9.970 21.965 1.00 60.03 C ATOM 1190 CG2 VAL A 83 23.963 11.771 21.802 1.00 42.03 C ATOM 0 H VAL A 83 28.042 11.055 21.576 1.00 31.40 H new ATOM 0 HA VAL A 83 26.187 13.324 21.196 1.00 74.25 H new ATOM 0 HB VAL A 83 25.344 11.219 20.272 1.00 22.15 H new ATOM 0 HG11 VAL A 83 24.946 9.241 21.704 1.00 60.03 H new ATOM 0 HG12 VAL A 83 26.677 9.638 21.576 1.00 60.03 H new ATOM 0 HG13 VAL A 83 25.773 10.062 23.050 1.00 60.03 H new ATOM 0 HG21 VAL A 83 23.236 11.002 21.542 1.00 42.03 H new ATOM 0 HG22 VAL A 83 23.957 11.925 22.881 1.00 42.03 H new ATOM 0 HG23 VAL A 83 23.701 12.703 21.301 1.00 42.03 H new ATOM 1200 N GLY A 84 25.775 13.736 23.615 1.00 33.12 N ATOM 1201 CA GLY A 84 25.679 14.088 25.014 1.00 23.12 C ATOM 1202 C GLY A 84 24.288 14.548 25.400 1.00 64.22 C ATOM 1203 O GLY A 84 23.404 14.671 24.553 1.00 21.33 O ATOM 0 H GLY A 84 25.305 14.385 22.984 1.00 33.12 H new ATOM 0 HA2 GLY A 84 25.956 13.227 25.622 1.00 23.12 H new ATOM 0 HA3 GLY A 84 26.395 14.879 25.237 1.00 23.12 H new ATOM 1207 N ILE A 85 24.106 14.802 26.685 1.00 23.52 N ATOM 1208 CA ILE A 85 22.835 15.246 27.230 1.00 1.40 C ATOM 1209 C ILE A 85 23.087 16.244 28.352 1.00 61.15 C ATOM 1210 O ILE A 85 23.975 16.038 29.191 1.00 10.52 O ATOM 1211 CB ILE A 85 21.990 14.046 27.757 1.00 52.02 C ATOM 1212 CG1 ILE A 85 20.642 14.512 28.361 1.00 53.33 C ATOM 1213 CG2 ILE A 85 22.785 13.242 28.782 1.00 35.55 C ATOM 1214 CD1 ILE A 85 20.702 14.874 29.837 1.00 71.32 C ATOM 0 H ILE A 85 24.842 14.705 27.384 1.00 23.52 H new ATOM 0 HA ILE A 85 22.267 15.724 26.433 1.00 1.40 H new ATOM 0 HB ILE A 85 21.763 13.406 26.905 1.00 52.02 H new ATOM 0 HG12 ILE A 85 20.288 15.378 27.802 1.00 53.33 H new ATOM 0 HG13 ILE A 85 19.904 13.721 28.224 1.00 53.33 H new ATOM 0 HG21 ILE A 85 22.180 12.409 29.139 1.00 35.55 H new ATOM 0 HG22 ILE A 85 23.694 12.858 28.318 1.00 35.55 H new ATOM 0 HG23 ILE A 85 23.050 13.884 29.622 1.00 35.55 H new ATOM 0 HD11 ILE A 85 19.715 15.189 30.175 1.00 71.32 H new ATOM 0 HD12 ILE A 85 21.022 14.005 30.412 1.00 71.32 H new ATOM 0 HD13 ILE A 85 21.412 15.688 29.983 1.00 71.32 H new ATOM 1226 N GLY A 86 22.311 17.322 28.343 1.00 43.44 N ATOM 1227 CA GLY A 86 22.384 18.347 29.373 1.00 64.20 C ATOM 1228 C GLY A 86 21.030 19.000 29.593 1.00 43.21 C ATOM 1229 O GLY A 86 20.101 18.751 28.822 1.00 31.32 O ATOM 0 H GLY A 86 21.615 17.508 27.621 1.00 43.44 H new ATOM 0 HA2 GLY A 86 22.734 17.905 30.306 1.00 64.20 H new ATOM 0 HA3 GLY A 86 23.114 19.104 29.086 1.00 64.20 H new ATOM 1233 N PRO A 87 20.870 19.821 30.645 1.00 20.43 N ATOM 1234 CA PRO A 87 19.592 20.469 30.948 1.00 73.43 C ATOM 1235 C PRO A 87 19.303 21.637 30.003 1.00 33.24 C ATOM 1236 O PRO A 87 20.203 22.404 29.650 1.00 11.41 O ATOM 1237 CB PRO A 87 19.781 20.961 32.386 1.00 75.13 C ATOM 1238 CG PRO A 87 21.246 21.220 32.500 1.00 24.22 C ATOM 1239 CD PRO A 87 21.923 20.212 31.603 1.00 44.21 C ATOM 0 HA PRO A 87 18.744 19.794 30.828 1.00 73.43 H new ATOM 0 HB2 PRO A 87 19.202 21.865 32.576 1.00 75.13 H new ATOM 0 HB3 PRO A 87 19.452 20.214 33.108 1.00 75.13 H new ATOM 0 HG2 PRO A 87 21.486 22.238 32.193 1.00 24.22 H new ATOM 0 HG3 PRO A 87 21.582 21.111 33.531 1.00 24.22 H new ATOM 0 HD2 PRO A 87 22.784 20.645 31.094 1.00 44.21 H new ATOM 0 HD3 PRO A 87 22.286 19.354 32.169 1.00 44.21 H new ATOM 1247 N ASN A 88 18.047 21.761 29.603 1.00 50.13 N ATOM 1248 CA ASN A 88 17.613 22.830 28.708 1.00 62.23 C ATOM 1249 C ASN A 88 17.045 23.978 29.531 1.00 31.22 C ATOM 1250 O ASN A 88 16.300 23.748 30.486 1.00 11.01 O ATOM 1251 CB ASN A 88 16.550 22.297 27.730 1.00 63.43 C ATOM 1252 CG ASN A 88 16.222 23.264 26.600 1.00 21.32 C ATOM 1253 OD1 ASN A 88 16.350 24.480 26.740 1.00 63.22 O ATOM 1254 ND2 ASN A 88 15.775 22.725 25.474 1.00 22.41 N ATOM 0 H ASN A 88 17.300 21.127 29.887 1.00 50.13 H new ATOM 0 HA ASN A 88 18.465 23.191 28.132 1.00 62.23 H new ATOM 0 HB2 ASN A 88 16.900 21.357 27.303 1.00 63.43 H new ATOM 0 HB3 ASN A 88 15.638 22.075 28.284 1.00 63.43 H new ATOM 0 HD21 ASN A 88 15.524 23.323 24.687 1.00 22.41 H new ATOM 0 HD22 ASN A 88 15.682 21.712 25.395 1.00 22.41 H new ATOM 1261 N GLU A 89 17.388 25.211 29.156 1.00 43.32 N ATOM 1262 CA GLU A 89 16.925 26.398 29.877 1.00 2.23 C ATOM 1263 C GLU A 89 15.406 26.553 29.771 1.00 10.40 C ATOM 1264 O GLU A 89 14.801 27.373 30.466 1.00 74.31 O ATOM 1265 CB GLU A 89 17.631 27.657 29.359 1.00 13.04 C ATOM 1266 CG GLU A 89 17.481 27.883 27.858 1.00 64.14 C ATOM 1267 CD GLU A 89 18.065 29.213 27.405 1.00 35.31 C ATOM 1268 OE1 GLU A 89 17.290 30.097 26.982 1.00 70.11 O ATOM 1269 OE2 GLU A 89 19.300 29.386 27.489 1.00 74.23 O1- ATOM 0 H GLU A 89 17.986 25.414 28.355 1.00 43.32 H new ATOM 0 HA GLU A 89 17.177 26.268 30.929 1.00 2.23 H new ATOM 0 HB2 GLU A 89 17.236 28.525 29.887 1.00 13.04 H new ATOM 0 HB3 GLU A 89 18.692 27.591 29.601 1.00 13.04 H new ATOM 0 HG2 GLU A 89 17.974 27.072 27.321 1.00 64.14 H new ATOM 0 HG3 GLU A 89 16.425 27.845 27.592 1.00 64.14 H new ATOM 1276 N GLU A 90 14.803 25.762 28.891 1.00 62.24 N ATOM 1277 CA GLU A 90 13.349 25.694 28.766 1.00 33.11 C ATOM 1278 C GLU A 90 12.733 25.067 30.022 1.00 41.22 C ATOM 1279 O GLU A 90 11.548 25.246 30.312 1.00 23.51 O ATOM 1280 CB GLU A 90 12.977 24.878 27.520 1.00 62.35 C ATOM 1281 CG GLU A 90 11.496 24.543 27.421 1.00 2.12 C ATOM 1282 CD GLU A 90 11.162 23.693 26.208 1.00 32.41 C ATOM 1283 OE1 GLU A 90 10.677 24.247 25.196 1.00 34.55 O ATOM 1284 OE2 GLU A 90 11.382 22.466 26.260 1.00 15.02 O1- ATOM 0 H GLU A 90 15.304 25.151 28.246 1.00 62.24 H new ATOM 0 HA GLU A 90 12.952 26.704 28.661 1.00 33.11 H new ATOM 0 HB2 GLU A 90 13.274 25.435 26.631 1.00 62.35 H new ATOM 0 HB3 GLU A 90 13.550 23.951 27.521 1.00 62.35 H new ATOM 0 HG2 GLU A 90 11.187 24.016 28.324 1.00 2.12 H new ATOM 0 HG3 GLU A 90 10.921 25.468 27.379 1.00 2.12 H new ATOM 1291 N GLY A 91 13.563 24.359 30.780 1.00 4.53 N ATOM 1292 CA GLY A 91 13.112 23.703 31.996 1.00 50.31 C ATOM 1293 C GLY A 91 12.957 22.206 31.823 1.00 52.42 C ATOM 1294 O GLY A 91 12.064 21.591 32.411 1.00 50.31 O ATOM 0 H GLY A 91 14.553 24.226 30.571 1.00 4.53 H new ATOM 0 HA2 GLY A 91 13.824 23.901 32.798 1.00 50.31 H new ATOM 0 HA3 GLY A 91 12.158 24.131 32.304 1.00 50.31 H new ATOM 1298 N GLY A 92 13.840 21.620 31.022 1.00 31.10 N ATOM 1299 CA GLY A 92 13.817 20.186 30.792 1.00 44.24 C ATOM 1300 C GLY A 92 15.186 19.653 30.413 1.00 74.12 C ATOM 1301 O GLY A 92 16.200 20.105 30.948 1.00 42.22 O ATOM 0 H GLY A 92 14.578 22.117 30.523 1.00 31.10 H new ATOM 0 HA2 GLY A 92 13.466 19.679 31.691 1.00 44.24 H new ATOM 0 HA3 GLY A 92 13.105 19.957 29.999 1.00 44.24 H new ATOM 1305 N PHE A 93 15.218 18.703 29.487 1.00 65.13 N ATOM 1306 CA PHE A 93 16.472 18.119 29.012 1.00 72.25 C ATOM 1307 C PHE A 93 16.776 18.593 27.598 1.00 30.35 C ATOM 1308 O PHE A 93 15.913 19.155 26.921 1.00 35.35 O ATOM 1309 CB PHE A 93 16.410 16.585 29.033 1.00 70.53 C ATOM 1310 CG PHE A 93 16.305 15.995 30.414 1.00 33.33 C ATOM 1311 CD1 PHE A 93 15.176 15.284 30.798 1.00 41.34 C ATOM 1312 CD2 PHE A 93 17.340 16.150 31.326 1.00 64.21 C ATOM 1313 CE1 PHE A 93 15.081 14.739 32.063 1.00 2.11 C ATOM 1314 CE2 PHE A 93 17.248 15.606 32.594 1.00 3.04 C ATOM 1315 CZ PHE A 93 16.117 14.901 32.963 1.00 12.34 C ATOM 0 H PHE A 93 14.384 18.316 29.045 1.00 65.13 H new ATOM 0 HA PHE A 93 17.266 18.447 29.683 1.00 72.25 H new ATOM 0 HB2 PHE A 93 15.553 16.258 28.443 1.00 70.53 H new ATOM 0 HB3 PHE A 93 17.301 16.189 28.547 1.00 70.53 H new ATOM 0 HD1 PHE A 93 14.363 15.156 30.099 1.00 41.34 H new ATOM 0 HD2 PHE A 93 18.225 16.700 31.043 1.00 64.21 H new ATOM 0 HE1 PHE A 93 14.198 14.187 32.349 1.00 2.11 H new ATOM 0 HE2 PHE A 93 18.059 15.732 33.296 1.00 3.04 H new ATOM 0 HZ PHE A 93 16.043 14.477 33.954 1.00 12.34 H new ATOM 1325 N ALA A 94 18.003 18.355 27.156 1.00 73.43 N ATOM 1326 CA ALA A 94 18.421 18.715 25.811 1.00 60.33 C ATOM 1327 C ALA A 94 19.471 17.730 25.325 1.00 65.32 C ATOM 1328 O ALA A 94 20.512 17.550 25.971 1.00 32.10 O ATOM 1329 CB ALA A 94 18.954 20.144 25.778 1.00 64.21 C ATOM 0 H ALA A 94 18.731 17.910 27.716 1.00 73.43 H new ATOM 0 HA ALA A 94 17.560 18.668 25.144 1.00 60.33 H new ATOM 0 HB1 ALA A 94 19.262 20.394 24.763 1.00 64.21 H new ATOM 0 HB2 ALA A 94 18.172 20.832 26.100 1.00 64.21 H new ATOM 0 HB3 ALA A 94 19.810 20.229 26.448 1.00 64.21 H new ATOM 1335 N LEU A 95 19.177 17.068 24.215 1.00 31.23 N ATOM 1336 CA LEU A 95 20.092 16.097 23.631 1.00 75.45 C ATOM 1337 C LEU A 95 20.954 16.754 22.563 1.00 41.42 C ATOM 1338 O LEU A 95 20.452 17.443 21.670 1.00 2.34 O ATOM 1339 CB LEU A 95 19.324 14.896 23.050 1.00 51.22 C ATOM 1340 CG LEU A 95 18.936 13.806 24.069 1.00 42.15 C ATOM 1341 CD1 LEU A 95 20.182 13.107 24.610 1.00 64.34 C ATOM 1342 CD2 LEU A 95 18.113 14.393 25.214 1.00 71.23 C ATOM 0 H LEU A 95 18.306 17.187 23.698 1.00 31.23 H new ATOM 0 HA LEU A 95 20.745 15.726 24.421 1.00 75.45 H new ATOM 0 HB2 LEU A 95 18.416 15.263 22.572 1.00 51.22 H new ATOM 0 HB3 LEU A 95 19.933 14.440 22.269 1.00 51.22 H new ATOM 0 HG LEU A 95 18.321 13.068 23.554 1.00 42.15 H new ATOM 0 HD11 LEU A 95 19.887 12.341 25.328 1.00 64.34 H new ATOM 0 HD12 LEU A 95 20.725 12.643 23.787 1.00 64.34 H new ATOM 0 HD13 LEU A 95 20.824 13.837 25.102 1.00 64.34 H new ATOM 0 HD21 LEU A 95 17.853 13.602 25.918 1.00 71.23 H new ATOM 0 HD22 LEU A 95 18.696 15.158 25.727 1.00 71.23 H new ATOM 0 HD23 LEU A 95 17.201 14.838 24.816 1.00 71.23 H new ATOM 1354 N ASP A 96 22.249 16.528 22.682 1.00 51.32 N ATOM 1355 CA ASP A 96 23.246 17.072 21.775 1.00 15.24 C ATOM 1356 C ASP A 96 23.954 15.926 21.077 1.00 33.43 C ATOM 1357 O ASP A 96 24.216 14.896 21.688 1.00 1.11 O ATOM 1358 CB ASP A 96 24.261 17.916 22.563 1.00 62.10 C ATOM 1359 CG ASP A 96 25.526 18.237 21.768 1.00 42.14 C ATOM 1360 OD1 ASP A 96 25.432 18.952 20.749 1.00 0.44 O ATOM 1361 OD2 ASP A 96 26.624 17.777 22.174 1.00 11.32 O1- ATOM 0 H ASP A 96 22.646 15.951 23.424 1.00 51.32 H new ATOM 0 HA ASP A 96 22.763 17.708 21.034 1.00 15.24 H new ATOM 0 HB2 ASP A 96 23.787 18.848 22.871 1.00 62.10 H new ATOM 0 HB3 ASP A 96 24.537 17.383 23.473 1.00 62.10 H new ATOM 1366 N VAL A 97 24.228 16.082 19.798 1.00 3.45 N ATOM 1367 CA VAL A 97 25.033 15.111 19.078 1.00 33.41 C ATOM 1368 C VAL A 97 25.973 15.815 18.104 1.00 35.23 C ATOM 1369 O VAL A 97 25.555 16.401 17.107 1.00 5.33 O ATOM 1370 CB VAL A 97 24.162 14.046 18.357 1.00 12.11 C ATOM 1371 CG1 VAL A 97 23.082 14.693 17.499 1.00 31.40 C ATOM 1372 CG2 VAL A 97 25.034 13.105 17.521 1.00 41.42 C ATOM 0 H VAL A 97 23.907 16.869 19.235 1.00 3.45 H new ATOM 0 HA VAL A 97 25.636 14.574 19.811 1.00 33.41 H new ATOM 0 HB VAL A 97 23.661 13.456 19.124 1.00 12.11 H new ATOM 0 HG11 VAL A 97 22.493 13.917 17.010 1.00 31.40 H new ATOM 0 HG12 VAL A 97 22.432 15.300 18.129 1.00 31.40 H new ATOM 0 HG13 VAL A 97 23.548 15.325 16.743 1.00 31.40 H new ATOM 0 HG21 VAL A 97 24.402 12.368 17.025 1.00 41.42 H new ATOM 0 HG22 VAL A 97 25.576 13.681 16.771 1.00 41.42 H new ATOM 0 HG23 VAL A 97 25.745 12.595 18.171 1.00 41.42 H new ATOM 1382 N GLU A 98 27.250 15.752 18.427 1.00 23.12 N ATOM 1383 CA GLU A 98 28.300 16.368 17.643 1.00 44.32 C ATOM 1384 C GLU A 98 28.824 15.358 16.630 1.00 21.31 C ATOM 1385 O GLU A 98 29.504 14.393 16.990 1.00 34.12 O ATOM 1386 CB GLU A 98 29.421 16.855 18.574 1.00 13.10 C ATOM 1387 CG GLU A 98 30.594 17.506 17.852 1.00 35.31 C ATOM 1388 CD GLU A 98 31.596 18.143 18.806 1.00 11.53 C ATOM 1389 OE1 GLU A 98 32.013 19.294 18.563 1.00 51.52 O ATOM 1390 OE2 GLU A 98 31.963 17.499 19.811 1.00 21.24 O1- ATOM 0 H GLU A 98 27.591 15.263 19.255 1.00 23.12 H new ATOM 0 HA GLU A 98 27.910 17.231 17.103 1.00 44.32 H new ATOM 0 HB2 GLU A 98 29.004 17.570 19.284 1.00 13.10 H new ATOM 0 HB3 GLU A 98 29.790 16.009 19.153 1.00 13.10 H new ATOM 0 HG2 GLU A 98 31.103 16.756 17.246 1.00 35.31 H new ATOM 0 HG3 GLU A 98 30.217 18.266 17.168 1.00 35.31 H new ATOM 1397 N LEU A 99 28.478 15.571 15.370 1.00 4.53 N ATOM 1398 CA LEU A 99 28.796 14.625 14.313 1.00 32.31 C ATOM 1399 C LEU A 99 30.033 15.088 13.543 1.00 52.01 C ATOM 1400 O LEU A 99 29.989 16.089 12.824 1.00 21.43 O ATOM 1401 CB LEU A 99 27.591 14.471 13.369 1.00 42.25 C ATOM 1402 CG LEU A 99 27.624 13.245 12.442 1.00 64.41 C ATOM 1403 CD1 LEU A 99 27.607 11.953 13.256 1.00 73.33 C ATOM 1404 CD2 LEU A 99 26.452 13.279 11.462 1.00 23.33 C ATOM 0 H LEU A 99 27.973 16.398 15.053 1.00 4.53 H new ATOM 0 HA LEU A 99 29.015 13.654 14.757 1.00 32.31 H new ATOM 0 HB2 LEU A 99 26.684 14.424 13.972 1.00 42.25 H new ATOM 0 HB3 LEU A 99 27.518 15.367 12.753 1.00 42.25 H new ATOM 0 HG LEU A 99 28.551 13.275 11.869 1.00 64.41 H new ATOM 0 HD11 LEU A 99 27.631 11.097 12.581 1.00 73.33 H new ATOM 0 HD12 LEU A 99 28.478 11.924 13.910 1.00 73.33 H new ATOM 0 HD13 LEU A 99 26.700 11.915 13.859 1.00 73.33 H new ATOM 0 HD21 LEU A 99 26.493 12.403 10.815 1.00 23.33 H new ATOM 0 HD22 LEU A 99 25.514 13.276 12.017 1.00 23.33 H new ATOM 0 HD23 LEU A 99 26.512 14.182 10.854 1.00 23.33 H new ATOM 1416 N ARG A 100 31.120 14.341 13.695 1.00 15.15 N ATOM 1417 CA ARG A 100 32.396 14.663 13.067 1.00 11.05 C ATOM 1418 C ARG A 100 32.577 13.834 11.802 1.00 44.33 C ATOM 1419 O ARG A 100 32.356 12.623 11.807 1.00 60.34 O ATOM 1420 CB ARG A 100 33.553 14.380 14.040 1.00 62.13 C ATOM 1421 CG ARG A 100 33.620 15.335 15.228 1.00 11.51 C ATOM 1422 CD ARG A 100 34.653 14.895 16.259 1.00 61.51 C ATOM 1423 NE ARG A 100 34.980 15.969 17.201 1.00 42.53 N ATOM 1424 CZ ARG A 100 34.446 16.105 18.416 1.00 32.53 C ATOM 1425 NH1 ARG A 100 33.542 15.242 18.860 1.00 73.43 N1+ ATOM 1426 NH2 ARG A 100 34.822 17.111 19.189 1.00 1.52 N ATOM 0 H ARG A 100 31.141 13.492 14.259 1.00 15.15 H new ATOM 0 HA ARG A 100 32.400 15.722 12.807 1.00 11.05 H new ATOM 0 HB2 ARG A 100 33.458 13.360 14.413 1.00 62.13 H new ATOM 0 HB3 ARG A 100 34.494 14.433 13.493 1.00 62.13 H new ATOM 0 HG2 ARG A 100 33.865 16.336 14.874 1.00 11.51 H new ATOM 0 HG3 ARG A 100 32.640 15.395 15.700 1.00 11.51 H new ATOM 0 HD2 ARG A 100 34.273 14.034 16.809 1.00 61.51 H new ATOM 0 HD3 ARG A 100 35.560 14.572 15.748 1.00 61.51 H new ATOM 0 HE ARG A 100 35.666 16.664 16.906 1.00 42.53 H new ATOM 0 HH11 ARG A 100 33.248 14.463 18.271 1.00 73.43 H new ATOM 0 HH12 ARG A 100 33.141 15.357 19.791 1.00 73.43 H new ATOM 0 HH21 ARG A 100 35.517 17.778 18.855 1.00 1.52 H new ATOM 0 HH22 ARG A 100 34.416 17.219 20.119 1.00 1.52 H new ATOM 1440 N VAL A 101 32.963 14.495 10.717 1.00 42.14 N ATOM 1441 CA VAL A 101 33.135 13.829 9.430 1.00 72.23 C ATOM 1442 C VAL A 101 34.594 13.869 8.995 1.00 42.25 C ATOM 1443 O VAL A 101 35.083 14.904 8.534 1.00 41.22 O ATOM 1444 CB VAL A 101 32.268 14.499 8.335 1.00 14.41 C ATOM 1445 CG1 VAL A 101 32.394 13.753 7.005 1.00 25.41 C ATOM 1446 CG2 VAL A 101 30.806 14.590 8.777 1.00 42.30 C ATOM 0 H VAL A 101 33.164 15.495 10.702 1.00 42.14 H new ATOM 0 HA VAL A 101 32.818 12.794 9.555 1.00 72.23 H new ATOM 0 HB VAL A 101 32.638 15.514 8.186 1.00 14.41 H new ATOM 0 HG11 VAL A 101 31.776 14.243 6.253 1.00 25.41 H new ATOM 0 HG12 VAL A 101 33.435 13.761 6.681 1.00 25.41 H new ATOM 0 HG13 VAL A 101 32.061 12.723 7.133 1.00 25.41 H new ATOM 0 HG21 VAL A 101 30.217 15.064 7.992 1.00 42.30 H new ATOM 0 HG22 VAL A 101 30.420 13.588 8.966 1.00 42.30 H new ATOM 0 HG23 VAL A 101 30.738 15.183 9.689 1.00 42.30 H new ATOM 1456 N ALA A 102 35.298 12.755 9.152 1.00 43.12 N ATOM 1457 CA ALA A 102 36.680 12.672 8.710 1.00 40.03 C ATOM 1458 C ALA A 102 36.751 11.969 7.360 1.00 12.52 C ATOM 1459 O ALA A 102 36.691 10.738 7.285 1.00 73.10 O ATOM 1460 CB ALA A 102 37.528 11.940 9.749 1.00 44.05 C ATOM 0 H ALA A 102 34.936 11.903 9.580 1.00 43.12 H new ATOM 0 HA ALA A 102 37.079 13.680 8.598 1.00 40.03 H new ATOM 0 HB1 ALA A 102 38.560 11.886 9.403 1.00 44.05 H new ATOM 0 HB2 ALA A 102 37.490 12.480 10.695 1.00 44.05 H new ATOM 0 HB3 ALA A 102 37.140 10.931 9.891 1.00 44.05 H new ATOM 1466 N LEU A 103 36.891 12.762 6.301 1.00 73.31 N ATOM 1467 CA LEU A 103 36.982 12.249 4.944 1.00 63.24 C ATOM 1468 C LEU A 103 38.399 12.501 4.425 1.00 11.33 C ATOM 1469 O LEU A 103 38.828 13.653 4.303 1.00 24.41 O ATOM 1470 CB LEU A 103 35.921 12.942 4.066 1.00 41.13 C ATOM 1471 CG LEU A 103 35.592 12.304 2.694 1.00 32.24 C ATOM 1472 CD1 LEU A 103 36.729 12.465 1.690 1.00 55.32 C ATOM 1473 CD2 LEU A 103 35.218 10.839 2.826 1.00 41.41 C ATOM 0 H LEU A 103 36.944 13.779 6.363 1.00 73.31 H new ATOM 0 HA LEU A 103 36.788 11.177 4.916 1.00 63.24 H new ATOM 0 HB2 LEU A 103 34.996 12.998 4.640 1.00 41.13 H new ATOM 0 HB3 LEU A 103 36.249 13.966 3.889 1.00 41.13 H new ATOM 0 HG LEU A 103 34.728 12.848 2.312 1.00 32.24 H new ATOM 0 HD11 LEU A 103 36.448 12.001 0.745 1.00 55.32 H new ATOM 0 HD12 LEU A 103 36.925 13.525 1.529 1.00 55.32 H new ATOM 0 HD13 LEU A 103 37.627 11.984 2.077 1.00 55.32 H new ATOM 0 HD21 LEU A 103 34.995 10.430 1.841 1.00 41.41 H new ATOM 0 HD22 LEU A 103 36.050 10.289 3.267 1.00 41.41 H new ATOM 0 HD23 LEU A 103 34.340 10.744 3.466 1.00 41.41 H new ATOM 1485 N PRO A 104 39.153 11.426 4.154 1.00 73.52 N ATOM 1486 CA PRO A 104 40.546 11.524 3.714 1.00 62.42 C ATOM 1487 C PRO A 104 40.693 12.186 2.346 1.00 45.15 C ATOM 1488 O PRO A 104 39.857 12.009 1.458 1.00 0.45 O ATOM 1489 CB PRO A 104 41.011 10.065 3.670 1.00 24.31 C ATOM 1490 CG PRO A 104 39.765 9.264 3.527 1.00 63.40 C ATOM 1491 CD PRO A 104 38.702 10.031 4.257 1.00 45.41 C ATOM 0 HA PRO A 104 41.136 12.151 4.382 1.00 62.42 H new ATOM 0 HB2 PRO A 104 41.688 9.892 2.834 1.00 24.31 H new ATOM 0 HB3 PRO A 104 41.550 9.796 4.578 1.00 24.31 H new ATOM 0 HG2 PRO A 104 39.502 9.133 2.477 1.00 63.40 H new ATOM 0 HG3 PRO A 104 39.890 8.268 3.951 1.00 63.40 H new ATOM 0 HD2 PRO A 104 37.722 9.891 3.801 1.00 45.41 H new ATOM 0 HD3 PRO A 104 38.619 9.712 5.296 1.00 45.41 H new ATOM 1499 N GLY A 105 41.771 12.946 2.196 1.00 54.45 N ATOM 1500 CA GLY A 105 42.045 13.645 0.950 1.00 13.33 C ATOM 1501 C GLY A 105 41.073 14.784 0.684 1.00 43.42 C ATOM 1502 O GLY A 105 41.003 15.301 -0.436 1.00 1.41 O ATOM 0 H GLY A 105 42.470 13.093 2.924 1.00 54.45 H new ATOM 0 HA2 GLY A 105 43.061 14.040 0.977 1.00 13.33 H new ATOM 0 HA3 GLY A 105 42.000 12.935 0.124 1.00 13.33 H new ATOM 1506 N LEU A 106 40.326 15.179 1.710 1.00 4.51 N ATOM 1507 CA LEU A 106 39.326 16.243 1.582 1.00 40.14 C ATOM 1508 C LEU A 106 39.668 17.437 2.478 1.00 43.11 C ATOM 1509 O LEU A 106 40.060 17.266 3.638 1.00 42.33 O ATOM 1510 CB LEU A 106 37.930 15.689 1.912 1.00 65.03 C ATOM 1511 CG LEU A 106 36.807 16.730 2.078 1.00 43.51 C ATOM 1512 CD1 LEU A 106 36.626 17.552 0.808 1.00 44.14 C ATOM 1513 CD2 LEU A 106 35.495 16.050 2.461 1.00 41.21 C ATOM 0 H LEU A 106 40.392 14.778 2.646 1.00 4.51 H new ATOM 0 HA LEU A 106 39.329 16.599 0.552 1.00 40.14 H new ATOM 0 HB2 LEU A 106 37.641 14.996 1.122 1.00 65.03 H new ATOM 0 HB3 LEU A 106 38.000 15.111 2.833 1.00 65.03 H new ATOM 0 HG LEU A 106 37.097 17.407 2.882 1.00 43.51 H new ATOM 0 HD11 LEU A 106 35.827 18.278 0.955 1.00 44.14 H new ATOM 0 HD12 LEU A 106 37.554 18.076 0.578 1.00 44.14 H new ATOM 0 HD13 LEU A 106 36.368 16.891 -0.019 1.00 44.14 H new ATOM 0 HD21 LEU A 106 34.714 16.802 2.574 1.00 41.21 H new ATOM 0 HD22 LEU A 106 35.209 15.345 1.681 1.00 41.21 H new ATOM 0 HD23 LEU A 106 35.623 15.517 3.403 1.00 41.21 H new ATOM 1525 N ASP A 107 39.511 18.642 1.923 1.00 72.42 N ATOM 1526 CA ASP A 107 39.815 19.888 2.636 1.00 14.02 C ATOM 1527 C ASP A 107 38.765 20.178 3.685 1.00 1.12 C ATOM 1528 O ASP A 107 37.668 19.632 3.643 1.00 10.24 O ATOM 1529 CB ASP A 107 39.835 21.089 1.685 1.00 13.35 C ATOM 1530 CG ASP A 107 40.862 22.137 2.083 1.00 12.43 C ATOM 1531 OD1 ASP A 107 41.998 22.090 1.569 1.00 14.01 O ATOM 1532 OD2 ASP A 107 40.542 23.008 2.925 1.00 2.52 O1- ATOM 0 H ASP A 107 39.171 18.782 0.972 1.00 72.42 H new ATOM 0 HA ASP A 107 40.795 19.748 3.092 1.00 14.02 H new ATOM 0 HB2 ASP A 107 40.049 20.743 0.674 1.00 13.35 H new ATOM 0 HB3 ASP A 107 38.846 21.546 1.663 1.00 13.35 H new ATOM 1537 N ALA A 108 39.096 21.087 4.582 1.00 41.30 N ATOM 1538 CA ALA A 108 38.137 21.623 5.527 1.00 54.32 C ATOM 1539 C ALA A 108 37.113 22.477 4.790 1.00 74.35 C ATOM 1540 O ALA A 108 35.907 22.338 4.993 1.00 33.14 O ATOM 1541 CB ALA A 108 38.862 22.456 6.568 1.00 73.33 C ATOM 0 H ALA A 108 40.035 21.474 4.676 1.00 41.30 H new ATOM 0 HA ALA A 108 37.619 20.804 6.026 1.00 54.32 H new ATOM 0 HB1 ALA A 108 38.140 22.859 7.279 1.00 73.33 H new ATOM 0 HB2 ALA A 108 39.582 21.831 7.097 1.00 73.33 H new ATOM 0 HB3 ALA A 108 39.385 23.277 6.077 1.00 73.33 H new ATOM 1547 N ALA A 109 37.614 23.334 3.897 1.00 23.13 N ATOM 1548 CA ALA A 109 36.773 24.279 3.168 1.00 64.13 C ATOM 1549 C ALA A 109 35.749 23.543 2.314 1.00 31.24 C ATOM 1550 O ALA A 109 34.565 23.895 2.291 1.00 41.21 O ATOM 1551 CB ALA A 109 37.629 25.190 2.295 1.00 33.23 C ATOM 0 H ALA A 109 38.605 23.391 3.662 1.00 23.13 H new ATOM 0 HA ALA A 109 36.239 24.891 3.895 1.00 64.13 H new ATOM 0 HB1 ALA A 109 36.987 25.888 1.758 1.00 33.23 H new ATOM 0 HB2 ALA A 109 38.325 25.746 2.923 1.00 33.23 H new ATOM 0 HB3 ALA A 109 38.188 24.588 1.579 1.00 33.23 H new ATOM 1557 N ALA A 110 36.214 22.518 1.614 1.00 73.25 N ATOM 1558 CA ALA A 110 35.345 21.710 0.775 1.00 12.34 C ATOM 1559 C ALA A 110 34.433 20.851 1.642 1.00 44.05 C ATOM 1560 O ALA A 110 33.227 20.779 1.407 1.00 34.04 O ATOM 1561 CB ALA A 110 36.165 20.845 -0.173 1.00 53.00 C ATOM 0 H ALA A 110 37.192 22.227 1.612 1.00 73.25 H new ATOM 0 HA ALA A 110 34.725 22.373 0.171 1.00 12.34 H new ATOM 0 HB1 ALA A 110 35.495 20.248 -0.792 1.00 53.00 H new ATOM 0 HB2 ALA A 110 36.776 21.483 -0.811 1.00 53.00 H new ATOM 0 HB3 ALA A 110 36.811 20.184 0.405 1.00 53.00 H new ATOM 1567 N ALA A 111 35.016 20.226 2.667 1.00 5.14 N ATOM 1568 CA ALA A 111 34.260 19.353 3.564 1.00 43.54 C ATOM 1569 C ALA A 111 33.053 20.068 4.161 1.00 4.44 C ATOM 1570 O ALA A 111 31.977 19.487 4.261 1.00 54.13 O ATOM 1571 CB ALA A 111 35.152 18.818 4.674 1.00 13.31 C ATOM 0 H ALA A 111 36.007 20.308 2.895 1.00 5.14 H new ATOM 0 HA ALA A 111 33.895 18.516 2.969 1.00 43.54 H new ATOM 0 HB1 ALA A 111 34.569 18.171 5.329 1.00 13.31 H new ATOM 0 HB2 ALA A 111 35.973 18.248 4.238 1.00 13.31 H new ATOM 0 HB3 ALA A 111 35.554 19.651 5.251 1.00 13.31 H new ATOM 1577 N LYS A 112 33.229 21.332 4.543 1.00 1.14 N ATOM 1578 CA LYS A 112 32.148 22.102 5.160 1.00 13.13 C ATOM 1579 C LYS A 112 30.912 22.153 4.260 1.00 74.23 C ATOM 1580 O LYS A 112 29.782 22.046 4.740 1.00 4.50 O ATOM 1581 CB LYS A 112 32.614 23.524 5.508 1.00 13.05 C ATOM 1582 CG LYS A 112 33.646 23.569 6.632 1.00 32.13 C ATOM 1583 CD LYS A 112 33.994 24.999 7.040 1.00 10.41 C ATOM 1584 CE LYS A 112 35.021 25.028 8.170 1.00 22.11 C ATOM 1585 NZ LYS A 112 35.264 26.407 8.669 1.00 2.23 N1+ ATOM 0 H LYS A 112 34.105 21.843 4.437 1.00 1.14 H new ATOM 0 HA LYS A 112 31.872 21.592 6.083 1.00 13.13 H new ATOM 0 HB2 LYS A 112 33.038 23.987 4.617 1.00 13.05 H new ATOM 0 HB3 LYS A 112 31.749 24.121 5.796 1.00 13.05 H new ATOM 0 HG2 LYS A 112 33.261 23.030 7.498 1.00 32.13 H new ATOM 0 HG3 LYS A 112 34.552 23.054 6.312 1.00 32.13 H new ATOM 0 HD2 LYS A 112 34.386 25.539 6.178 1.00 10.41 H new ATOM 0 HD3 LYS A 112 33.089 25.518 7.357 1.00 10.41 H new ATOM 0 HE2 LYS A 112 34.673 24.402 8.992 1.00 22.11 H new ATOM 0 HE3 LYS A 112 35.959 24.600 7.818 1.00 22.11 H new ATOM 0 HZ1 LYS A 112 35.967 26.380 9.435 1.00 2.23 H new ATOM 0 HZ2 LYS A 112 35.621 26.999 7.892 1.00 2.23 H new ATOM 0 HZ3 LYS A 112 34.375 26.807 9.030 1.00 2.23 H new ATOM 1599 N THR A 113 31.125 22.298 2.955 1.00 31.43 N ATOM 1600 CA THR A 113 30.011 22.391 2.016 1.00 60.21 C ATOM 1601 C THR A 113 29.480 20.998 1.662 1.00 74.22 C ATOM 1602 O THR A 113 28.273 20.808 1.494 1.00 73.22 O ATOM 1603 CB THR A 113 30.405 23.165 0.730 1.00 31.33 C ATOM 1604 OG1 THR A 113 29.245 23.778 0.151 1.00 10.35 O ATOM 1605 CG2 THR A 113 31.055 22.258 -0.306 1.00 32.43 C ATOM 0 H THR A 113 32.049 22.353 2.527 1.00 31.43 H new ATOM 0 HA THR A 113 29.217 22.952 2.509 1.00 60.21 H new ATOM 0 HB THR A 113 31.130 23.925 1.021 1.00 31.33 H new ATOM 0 HG1 THR A 113 29.503 24.266 -0.659 1.00 10.35 H new ATOM 0 HG21 THR A 113 31.314 22.842 -1.189 1.00 32.43 H new ATOM 0 HG22 THR A 113 31.958 21.815 0.114 1.00 32.43 H new ATOM 0 HG23 THR A 113 30.359 21.467 -0.585 1.00 32.43 H new ATOM 1613 N LEU A 114 30.382 20.020 1.569 1.00 23.12 N ATOM 1614 CA LEU A 114 29.997 18.649 1.236 1.00 20.51 C ATOM 1615 C LEU A 114 29.152 18.054 2.360 1.00 41.04 C ATOM 1616 O LEU A 114 28.121 17.423 2.117 1.00 13.34 O ATOM 1617 CB LEU A 114 31.238 17.780 0.980 1.00 61.01 C ATOM 1618 CG LEU A 114 32.159 18.258 -0.158 1.00 11.45 C ATOM 1619 CD1 LEU A 114 33.248 17.225 -0.447 1.00 1.51 C ATOM 1620 CD2 LEU A 114 31.352 18.573 -1.419 1.00 50.51 C ATOM 0 H LEU A 114 31.382 20.152 1.719 1.00 23.12 H new ATOM 0 HA LEU A 114 29.404 18.669 0.322 1.00 20.51 H new ATOM 0 HB2 LEU A 114 31.821 17.731 1.899 1.00 61.01 H new ATOM 0 HB3 LEU A 114 30.909 16.765 0.756 1.00 61.01 H new ATOM 0 HG LEU A 114 32.646 19.178 0.165 1.00 11.45 H new ATOM 0 HD11 LEU A 114 33.886 17.585 -1.254 1.00 1.51 H new ATOM 0 HD12 LEU A 114 33.849 17.070 0.449 1.00 1.51 H new ATOM 0 HD13 LEU A 114 32.786 16.283 -0.742 1.00 1.51 H new ATOM 0 HD21 LEU A 114 32.026 18.908 -2.208 1.00 50.51 H new ATOM 0 HD22 LEU A 114 30.826 17.677 -1.748 1.00 50.51 H new ATOM 0 HD23 LEU A 114 30.629 19.359 -1.201 1.00 50.51 H new ATOM 1632 N VAL A 115 29.593 18.279 3.591 1.00 72.22 N ATOM 1633 CA VAL A 115 28.860 17.846 4.772 1.00 32.34 C ATOM 1634 C VAL A 115 27.496 18.522 4.820 1.00 1.13 C ATOM 1635 O VAL A 115 26.489 17.883 5.139 1.00 25.22 O ATOM 1636 CB VAL A 115 29.649 18.157 6.074 1.00 63.01 C ATOM 1637 CG1 VAL A 115 28.788 17.947 7.322 1.00 14.41 C ATOM 1638 CG2 VAL A 115 30.913 17.301 6.148 1.00 35.24 C ATOM 0 H VAL A 115 30.466 18.765 3.798 1.00 72.22 H new ATOM 0 HA VAL A 115 28.727 16.766 4.705 1.00 32.34 H new ATOM 0 HB VAL A 115 29.934 19.209 6.044 1.00 63.01 H new ATOM 0 HG11 VAL A 115 29.375 18.175 8.212 1.00 14.41 H new ATOM 0 HG12 VAL A 115 27.921 18.606 7.281 1.00 14.41 H new ATOM 0 HG13 VAL A 115 28.454 16.910 7.363 1.00 14.41 H new ATOM 0 HG21 VAL A 115 31.455 17.531 7.066 1.00 35.24 H new ATOM 0 HG22 VAL A 115 30.639 16.246 6.143 1.00 35.24 H new ATOM 0 HG23 VAL A 115 31.548 17.515 5.289 1.00 35.24 H new ATOM 1648 N ASP A 116 27.475 19.810 4.481 1.00 34.11 N ATOM 1649 CA ASP A 116 26.239 20.591 4.481 1.00 22.44 C ATOM 1650 C ASP A 116 25.205 19.957 3.560 1.00 4.20 C ATOM 1651 O ASP A 116 24.149 19.510 4.006 1.00 63.50 O ATOM 1652 CB ASP A 116 26.508 22.031 4.016 1.00 1.42 C ATOM 1653 CG ASP A 116 25.255 22.899 4.051 1.00 43.12 C ATOM 1654 OD1 ASP A 116 24.554 22.991 3.019 1.00 62.34 O ATOM 1655 OD2 ASP A 116 24.965 23.499 5.110 1.00 50.12 O1- ATOM 0 H ASP A 116 28.303 20.336 4.202 1.00 34.11 H new ATOM 0 HA ASP A 116 25.855 20.606 5.501 1.00 22.44 H new ATOM 0 HB2 ASP A 116 27.273 22.477 4.651 1.00 1.42 H new ATOM 0 HB3 ASP A 116 26.906 22.014 3.001 1.00 1.42 H new ATOM 1660 N ARG A 117 25.549 19.876 2.276 1.00 43.12 N ATOM 1661 CA ARG A 117 24.629 19.375 1.262 1.00 25.23 C ATOM 1662 C ARG A 117 24.231 17.931 1.548 1.00 51.42 C ATOM 1663 O ARG A 117 23.055 17.590 1.489 1.00 42.42 O ATOM 1664 CB ARG A 117 25.248 19.510 -0.140 1.00 4.30 C ATOM 1665 CG ARG A 117 26.610 18.841 -0.286 1.00 3.24 C ATOM 1666 CD ARG A 117 27.315 19.242 -1.576 1.00 12.41 C ATOM 1667 NE ARG A 117 26.713 18.631 -2.769 1.00 15.40 N ATOM 1668 CZ ARG A 117 26.696 19.206 -3.973 1.00 54.12 C ATOM 1669 NH1 ARG A 117 27.109 20.459 -4.121 1.00 44.31 N1+ ATOM 1670 NH2 ARG A 117 26.231 18.539 -5.020 1.00 65.24 N ATOM 0 H ARG A 117 26.462 20.152 1.914 1.00 43.12 H new ATOM 0 HA ARG A 117 23.723 19.980 1.295 1.00 25.23 H new ATOM 0 HB2 ARG A 117 24.563 19.079 -0.871 1.00 4.30 H new ATOM 0 HB3 ARG A 117 25.347 20.568 -0.381 1.00 4.30 H new ATOM 0 HG2 ARG A 117 27.236 19.107 0.566 1.00 3.24 H new ATOM 0 HG3 ARG A 117 26.485 17.758 -0.264 1.00 3.24 H new ATOM 0 HD2 ARG A 117 27.288 20.327 -1.677 1.00 12.41 H new ATOM 0 HD3 ARG A 117 28.364 18.953 -1.516 1.00 12.41 H new ATOM 0 HE ARG A 117 26.282 17.712 -2.671 1.00 15.40 H new ATOM 0 HH11 ARG A 117 27.441 20.985 -3.313 1.00 44.31 H new ATOM 0 HH12 ARG A 117 27.095 20.895 -5.043 1.00 44.31 H new ATOM 0 HH21 ARG A 117 25.886 17.586 -4.905 1.00 65.24 H new ATOM 0 HH22 ARG A 117 26.218 18.979 -5.940 1.00 65.24 H new ATOM 1684 N ALA A 118 25.209 17.098 1.891 1.00 40.10 N ATOM 1685 CA ALA A 118 24.956 15.683 2.165 1.00 45.33 C ATOM 1686 C ALA A 118 23.940 15.515 3.294 1.00 63.41 C ATOM 1687 O ALA A 118 22.939 14.815 3.146 1.00 0.11 O ATOM 1688 CB ALA A 118 26.259 14.968 2.506 1.00 44.02 C ATOM 0 H ALA A 118 26.186 17.377 1.986 1.00 40.10 H new ATOM 0 HA ALA A 118 24.536 15.233 1.266 1.00 45.33 H new ATOM 0 HB1 ALA A 118 26.055 13.916 2.707 1.00 44.02 H new ATOM 0 HB2 ALA A 118 26.949 15.049 1.666 1.00 44.02 H new ATOM 0 HB3 ALA A 118 26.705 15.426 3.388 1.00 44.02 H new ATOM 1694 N HIS A 119 24.186 16.192 4.414 1.00 52.13 N ATOM 1695 CA HIS A 119 23.331 16.065 5.594 1.00 15.33 C ATOM 1696 C HIS A 119 22.014 16.817 5.413 1.00 0.40 C ATOM 1697 O HIS A 119 21.082 16.651 6.204 1.00 63.33 O ATOM 1698 CB HIS A 119 24.065 16.577 6.840 1.00 54.45 C ATOM 1699 CG HIS A 119 25.191 15.694 7.285 1.00 21.21 C ATOM 1700 ND1 HIS A 119 26.417 15.656 6.659 1.00 2.34 N ATOM 1701 CD2 HIS A 119 25.268 14.806 8.305 1.00 20.34 C ATOM 1702 CE1 HIS A 119 27.198 14.785 7.269 1.00 52.23 C ATOM 1703 NE2 HIS A 119 26.525 14.253 8.273 1.00 74.13 N ATOM 0 H HIS A 119 24.970 16.834 4.530 1.00 52.13 H new ATOM 0 HA HIS A 119 23.099 15.008 5.725 1.00 15.33 H new ATOM 0 HB2 HIS A 119 24.456 17.574 6.636 1.00 54.45 H new ATOM 0 HB3 HIS A 119 23.350 16.677 7.656 1.00 54.45 H new ATOM 0 HD1 HIS A 119 26.681 16.216 5.848 1.00 2.34 H new ATOM 0 HD2 HIS A 119 24.486 14.575 9.013 1.00 20.34 H new ATOM 0 HE1 HIS A 119 28.215 14.547 6.994 1.00 52.23 H new ATOM 1712 N HIS A 120 21.948 17.644 4.376 1.00 43.52 N ATOM 1713 CA HIS A 120 20.761 18.448 4.102 1.00 31.45 C ATOM 1714 C HIS A 120 19.844 17.744 3.101 1.00 61.14 C ATOM 1715 O HIS A 120 18.620 17.828 3.210 1.00 43.11 O ATOM 1716 CB HIS A 120 21.178 19.831 3.575 1.00 2.24 C ATOM 1717 CG HIS A 120 20.043 20.794 3.401 1.00 45.12 C ATOM 1718 ND1 HIS A 120 19.995 21.722 2.382 1.00 44.32 N ATOM 1719 CD2 HIS A 120 18.922 20.988 4.136 1.00 50.50 C ATOM 1720 CE1 HIS A 120 18.895 22.441 2.497 1.00 65.24 C ATOM 1721 NE2 HIS A 120 18.228 22.016 3.552 1.00 75.14 N ATOM 0 H HIS A 120 22.707 17.776 3.707 1.00 43.52 H new ATOM 0 HA HIS A 120 20.205 18.576 5.031 1.00 31.45 H new ATOM 0 HB2 HIS A 120 21.904 20.265 4.262 1.00 2.24 H new ATOM 0 HB3 HIS A 120 21.682 19.705 2.617 1.00 2.24 H new ATOM 0 HD2 HIS A 120 18.630 20.436 5.017 1.00 50.50 H new ATOM 0 HE1 HIS A 120 18.592 23.242 1.839 1.00 65.24 H new ATOM 0 HE2 HIS A 120 17.339 22.392 3.881 1.00 75.14 H new ATOM 1730 N VAL A 121 20.438 17.043 2.135 1.00 33.11 N ATOM 1731 CA VAL A 121 19.666 16.366 1.089 1.00 23.21 C ATOM 1732 C VAL A 121 19.342 14.924 1.474 1.00 3.02 C ATOM 1733 O VAL A 121 18.424 14.320 0.912 1.00 30.52 O ATOM 1734 CB VAL A 121 20.403 16.371 -0.277 1.00 61.42 C ATOM 1735 CG1 VAL A 121 20.727 17.797 -0.716 1.00 74.54 C ATOM 1736 CG2 VAL A 121 21.669 15.513 -0.228 1.00 44.31 C ATOM 0 H VAL A 121 21.448 16.928 2.054 1.00 33.11 H new ATOM 0 HA VAL A 121 18.738 16.929 0.988 1.00 23.21 H new ATOM 0 HB VAL A 121 19.734 15.932 -1.017 1.00 61.42 H new ATOM 0 HG11 VAL A 121 21.243 17.774 -1.676 1.00 74.54 H new ATOM 0 HG12 VAL A 121 19.803 18.366 -0.815 1.00 74.54 H new ATOM 0 HG13 VAL A 121 21.367 18.270 0.029 1.00 74.54 H new ATOM 0 HG21 VAL A 121 22.163 15.537 -1.200 1.00 44.31 H new ATOM 0 HG22 VAL A 121 22.345 15.905 0.532 1.00 44.31 H new ATOM 0 HG23 VAL A 121 21.403 14.485 0.018 1.00 44.31 H new ATOM 1746 N CYS A 122 20.096 14.370 2.423 1.00 31.44 N ATOM 1747 CA CYS A 122 19.876 12.996 2.872 1.00 53.14 C ATOM 1748 C CYS A 122 19.918 12.898 4.403 1.00 23.34 C ATOM 1749 O CYS A 122 20.895 12.421 4.984 1.00 24.32 O ATOM 1750 CB CYS A 122 20.916 12.055 2.244 1.00 50.43 C ATOM 1751 SG CYS A 122 20.635 10.299 2.582 1.00 72.12 S ATOM 0 H CYS A 122 20.862 14.850 2.895 1.00 31.44 H new ATOM 0 HA CYS A 122 18.883 12.690 2.544 1.00 53.14 H new ATOM 0 HB2 CYS A 122 20.922 12.208 1.165 1.00 50.43 H new ATOM 0 HB3 CYS A 122 21.905 12.330 2.611 1.00 50.43 H new ATOM 0 HG CYS A 122 21.428 9.582 1.842 1.00 72.12 H new ATOM 1757 N PRO A 123 18.878 13.409 5.086 1.00 50.40 N ATOM 1758 CA PRO A 123 18.704 13.227 6.516 1.00 60.03 C ATOM 1759 C PRO A 123 17.736 12.081 6.827 1.00 74.45 C ATOM 1760 O PRO A 123 16.699 11.947 6.173 1.00 30.15 O ATOM 1761 CB PRO A 123 18.111 14.577 6.929 1.00 24.23 C ATOM 1762 CG PRO A 123 17.301 15.026 5.742 1.00 34.14 C ATOM 1763 CD PRO A 123 17.799 14.246 4.535 1.00 45.03 C ATOM 0 HA PRO A 123 19.623 12.962 7.039 1.00 60.03 H new ATOM 0 HB2 PRO A 123 17.488 14.479 7.818 1.00 24.23 H new ATOM 0 HB3 PRO A 123 18.895 15.296 7.167 1.00 24.23 H new ATOM 0 HG2 PRO A 123 16.240 14.841 5.908 1.00 34.14 H new ATOM 0 HG3 PRO A 123 17.416 16.098 5.581 1.00 34.14 H new ATOM 0 HD2 PRO A 123 17.007 13.641 4.094 1.00 45.03 H new ATOM 0 HD3 PRO A 123 18.166 14.910 3.752 1.00 45.03 H new ATOM 1771 N TYR A 124 18.069 11.252 7.821 1.00 53.44 N ATOM 1772 CA TYR A 124 17.172 10.170 8.244 1.00 1.24 C ATOM 1773 C TYR A 124 15.822 10.760 8.661 1.00 42.34 C ATOM 1774 O TYR A 124 14.787 10.097 8.618 1.00 23.13 O ATOM 1775 CB TYR A 124 17.793 9.362 9.401 1.00 65.44 C ATOM 1776 CG TYR A 124 17.059 8.062 9.691 1.00 10.42 C ATOM 1777 CD1 TYR A 124 16.685 7.699 10.987 1.00 42.12 C ATOM 1778 CD2 TYR A 124 16.728 7.195 8.651 1.00 13.25 C ATOM 1779 CE1 TYR A 124 16.012 6.521 11.224 1.00 14.31 C ATOM 1780 CE2 TYR A 124 16.053 6.013 8.890 1.00 12.12 C ATOM 1781 CZ TYR A 124 15.698 5.682 10.177 1.00 5.42 C ATOM 1782 OH TYR A 124 15.023 4.506 10.420 1.00 60.35 O ATOM 0 H TYR A 124 18.943 11.307 8.344 1.00 53.44 H new ATOM 0 HA TYR A 124 17.021 9.488 7.407 1.00 1.24 H new ATOM 0 HB2 TYR A 124 18.832 9.138 9.161 1.00 65.44 H new ATOM 0 HB3 TYR A 124 17.799 9.976 10.301 1.00 65.44 H new ATOM 0 HD1 TYR A 124 16.927 8.350 11.814 1.00 42.12 H new ATOM 0 HD2 TYR A 124 17.004 7.452 7.639 1.00 13.25 H new ATOM 0 HE1 TYR A 124 15.730 6.254 12.232 1.00 14.31 H new ATOM 0 HE2 TYR A 124 15.806 5.353 8.071 1.00 12.12 H new ATOM 0 HH TYR A 124 14.839 4.426 11.379 1.00 60.35 H new ATOM 1792 N SER A 125 15.873 12.021 9.063 1.00 23.21 N ATOM 1793 CA SER A 125 14.695 12.815 9.363 1.00 62.44 C ATOM 1794 C SER A 125 15.114 14.281 9.366 1.00 2.13 C ATOM 1795 O SER A 125 16.207 14.608 9.826 1.00 5.11 O ATOM 1796 CB SER A 125 14.097 12.413 10.720 1.00 61.32 C ATOM 1797 OG SER A 125 12.944 13.181 11.024 1.00 44.54 O ATOM 0 H SER A 125 16.749 12.528 9.191 1.00 23.21 H new ATOM 0 HA SER A 125 13.924 12.646 8.612 1.00 62.44 H new ATOM 0 HB2 SER A 125 13.838 11.354 10.706 1.00 61.32 H new ATOM 0 HB3 SER A 125 14.843 12.548 11.503 1.00 61.32 H new ATOM 0 HG SER A 125 12.781 13.825 10.304 1.00 44.54 H new ATOM 1803 N ASN A 126 14.281 15.161 8.833 1.00 23.44 N ATOM 1804 CA ASN A 126 14.617 16.583 8.798 1.00 73.42 C ATOM 1805 C ASN A 126 14.513 17.153 10.213 1.00 24.25 C ATOM 1806 O ASN A 126 15.275 18.034 10.620 1.00 64.13 O ATOM 1807 CB ASN A 126 13.689 17.336 7.830 1.00 54.23 C ATOM 1808 CG ASN A 126 14.220 18.712 7.466 1.00 23.41 C ATOM 1809 OD1 ASN A 126 15.433 18.936 7.448 1.00 4.50 O ATOM 1810 ND2 ASN A 126 13.324 19.632 7.144 1.00 5.31 N ATOM 0 H ASN A 126 13.378 14.924 8.423 1.00 23.44 H new ATOM 0 HA ASN A 126 15.637 16.708 8.436 1.00 73.42 H new ATOM 0 HB2 ASN A 126 13.562 16.747 6.922 1.00 54.23 H new ATOM 0 HB3 ASN A 126 12.703 17.439 8.283 1.00 54.23 H new ATOM 0 HD21 ASN A 126 13.628 20.566 6.868 1.00 5.31 H new ATOM 0 HD22 ASN A 126 12.330 19.407 7.172 1.00 5.31 H new ATOM 1817 N ALA A 127 13.592 16.578 10.972 1.00 54.04 N ATOM 1818 CA ALA A 127 13.353 16.946 12.358 1.00 54.10 C ATOM 1819 C ALA A 127 14.425 16.366 13.288 1.00 52.15 C ATOM 1820 O ALA A 127 14.318 16.472 14.504 1.00 1.24 O ATOM 1821 CB ALA A 127 11.961 16.479 12.769 1.00 41.33 C ATOM 0 H ALA A 127 12.982 15.833 10.637 1.00 54.04 H new ATOM 0 HA ALA A 127 13.410 18.031 12.447 1.00 54.10 H new ATOM 0 HB1 ALA A 127 11.777 16.753 13.808 1.00 41.33 H new ATOM 0 HB2 ALA A 127 11.215 16.953 12.131 1.00 41.33 H new ATOM 0 HB3 ALA A 127 11.894 15.396 12.662 1.00 41.33 H new ATOM 1827 N THR A 128 15.465 15.757 12.725 1.00 1.20 N ATOM 1828 CA THR A 128 16.525 15.174 13.541 1.00 2.03 C ATOM 1829 C THR A 128 17.632 16.203 13.708 1.00 41.31 C ATOM 1830 O THR A 128 18.555 16.024 14.497 1.00 64.41 O ATOM 1831 CB THR A 128 17.107 13.871 12.922 1.00 53.22 C ATOM 1832 OG1 THR A 128 17.690 13.060 13.949 1.00 44.43 O ATOM 1833 CG2 THR A 128 18.174 14.170 11.867 1.00 73.21 C ATOM 0 H THR A 128 15.596 15.655 11.719 1.00 1.20 H new ATOM 0 HA THR A 128 16.097 14.902 14.506 1.00 2.03 H new ATOM 0 HB THR A 128 16.283 13.344 12.442 1.00 53.22 H new ATOM 0 HG1 THR A 128 18.208 13.626 14.558 1.00 44.43 H new ATOM 0 HG21 THR A 128 18.555 13.234 11.459 1.00 73.21 H new ATOM 0 HG22 THR A 128 17.736 14.764 11.065 1.00 73.21 H new ATOM 0 HG23 THR A 128 18.992 14.726 12.325 1.00 73.21 H new ATOM 1841 N ARG A 129 17.524 17.285 12.940 1.00 15.30 N ATOM 1842 CA ARG A 129 18.516 18.343 12.944 1.00 1.24 C ATOM 1843 C ARG A 129 17.874 19.704 13.180 1.00 21.22 C ATOM 1844 O ARG A 129 18.397 20.528 13.928 1.00 60.25 O ATOM 1845 CB ARG A 129 19.267 18.321 11.618 1.00 61.34 C ATOM 1846 CG ARG A 129 18.381 18.200 10.381 1.00 45.30 C ATOM 1847 CD ARG A 129 19.219 17.978 9.132 1.00 1.10 C ATOM 1848 NE ARG A 129 20.078 16.793 9.266 1.00 10.14 N ATOM 1849 CZ ARG A 129 21.389 16.839 9.539 1.00 72.04 C ATOM 1850 NH1 ARG A 129 22.028 18.005 9.578 1.00 12.15 N1+ ATOM 1851 NH2 ARG A 129 22.066 15.712 9.740 1.00 55.55 N ATOM 0 H ARG A 129 16.746 17.447 12.301 1.00 15.30 H new ATOM 0 HA ARG A 129 19.215 18.172 13.763 1.00 1.24 H new ATOM 0 HB2 ARG A 129 19.858 19.233 11.536 1.00 61.34 H new ATOM 0 HB3 ARG A 129 19.968 17.487 11.628 1.00 61.34 H new ATOM 0 HG2 ARG A 129 17.684 17.372 10.508 1.00 45.30 H new ATOM 0 HG3 ARG A 129 17.784 19.105 10.267 1.00 45.30 H new ATOM 0 HD2 ARG A 129 18.564 17.859 8.269 1.00 1.10 H new ATOM 0 HD3 ARG A 129 19.836 18.857 8.945 1.00 1.10 H new ATOM 0 HE ARG A 129 19.648 15.876 9.143 1.00 10.14 H new ATOM 0 HH11 ARG A 129 21.520 18.871 9.399 1.00 12.15 H new ATOM 0 HH12 ARG A 129 23.026 18.033 9.786 1.00 12.15 H new ATOM 0 HH21 ARG A 129 21.587 14.813 9.686 1.00 55.55 H new ATOM 0 HH22 ARG A 129 23.064 15.747 9.948 1.00 55.55 H new ATOM 1865 N ASN A 130 16.744 19.942 12.529 1.00 53.23 N ATOM 1866 CA ASN A 130 16.001 21.188 12.727 1.00 71.44 C ATOM 1867 C ASN A 130 15.333 21.199 14.100 1.00 71.52 C ATOM 1868 O ASN A 130 15.066 22.260 14.663 1.00 41.25 O ATOM 1869 CB ASN A 130 14.944 21.388 11.630 1.00 51.21 C ATOM 1870 CG ASN A 130 15.528 21.460 10.225 1.00 65.44 C ATOM 1871 OD1 ASN A 130 14.862 21.107 9.256 1.00 64.05 O ATOM 1872 ND2 ASN A 130 16.765 21.923 10.098 1.00 32.23 N ATOM 0 H ASN A 130 16.320 19.296 11.863 1.00 53.23 H new ATOM 0 HA ASN A 130 16.714 22.011 12.669 1.00 71.44 H new ATOM 0 HB2 ASN A 130 14.227 20.568 11.675 1.00 51.21 H new ATOM 0 HB3 ASN A 130 14.392 22.306 11.832 1.00 51.21 H new ATOM 0 HD21 ASN A 130 17.190 21.994 9.174 1.00 32.23 H new ATOM 0 HD22 ASN A 130 17.290 22.208 10.925 1.00 32.23 H new ATOM 1879 N ASN A 131 15.066 20.009 14.630 1.00 23.53 N ATOM 1880 CA ASN A 131 14.422 19.866 15.937 1.00 43.51 C ATOM 1881 C ASN A 131 15.443 19.468 17.001 1.00 71.03 C ATOM 1882 O ASN A 131 15.402 19.955 18.132 1.00 72.12 O ATOM 1883 CB ASN A 131 13.311 18.810 15.869 1.00 43.33 C ATOM 1884 CG ASN A 131 12.516 18.711 17.163 1.00 4.41 C ATOM 1885 OD1 ASN A 131 11.525 19.412 17.355 1.00 52.34 O ATOM 1886 ND2 ASN A 131 12.936 17.824 18.059 1.00 53.22 N ATOM 0 H ASN A 131 15.286 19.124 14.174 1.00 23.53 H new ATOM 0 HA ASN A 131 13.988 20.828 16.209 1.00 43.51 H new ATOM 0 HB2 ASN A 131 12.635 19.052 15.049 1.00 43.33 H new ATOM 0 HB3 ASN A 131 13.751 17.839 15.643 1.00 43.33 H new ATOM 0 HD21 ASN A 131 12.432 17.709 18.938 1.00 53.22 H new ATOM 0 HD22 ASN A 131 13.763 17.258 17.868 1.00 53.22 H new ATOM 1893 N VAL A 132 16.357 18.573 16.629 1.00 22.24 N ATOM 1894 CA VAL A 132 17.360 18.050 17.557 1.00 51.15 C ATOM 1895 C VAL A 132 18.716 18.704 17.289 1.00 30.12 C ATOM 1896 O VAL A 132 19.061 18.980 16.140 1.00 33.10 O ATOM 1897 CB VAL A 132 17.492 16.509 17.431 1.00 54.43 C ATOM 1898 CG1 VAL A 132 18.404 15.940 18.520 1.00 31.31 C ATOM 1899 CG2 VAL A 132 16.114 15.847 17.466 1.00 70.22 C ATOM 0 H VAL A 132 16.424 18.193 15.685 1.00 22.24 H new ATOM 0 HA VAL A 132 17.034 18.286 18.570 1.00 51.15 H new ATOM 0 HB VAL A 132 17.952 16.287 16.468 1.00 54.43 H new ATOM 0 HG11 VAL A 132 18.477 14.858 18.405 1.00 31.31 H new ATOM 0 HG12 VAL A 132 19.396 16.382 18.431 1.00 31.31 H new ATOM 0 HG13 VAL A 132 17.989 16.174 19.501 1.00 31.31 H new ATOM 0 HG21 VAL A 132 16.227 14.767 17.376 1.00 70.22 H new ATOM 0 HG22 VAL A 132 15.621 16.083 18.409 1.00 70.22 H new ATOM 0 HG23 VAL A 132 15.511 16.219 16.638 1.00 70.22 H new ATOM 1909 N ALA A 133 19.478 18.945 18.350 1.00 44.32 N ATOM 1910 CA ALA A 133 20.749 19.654 18.240 1.00 45.42 C ATOM 1911 C ALA A 133 21.862 18.732 17.763 1.00 30.31 C ATOM 1912 O ALA A 133 22.362 17.896 18.517 1.00 14.22 O ATOM 1913 CB ALA A 133 21.113 20.295 19.575 1.00 22.23 C ATOM 0 H ALA A 133 19.237 18.659 19.299 1.00 44.32 H new ATOM 0 HA ALA A 133 20.633 20.440 17.494 1.00 45.42 H new ATOM 0 HB1 ALA A 133 22.063 20.821 19.479 1.00 22.23 H new ATOM 0 HB2 ALA A 133 20.335 21.002 19.864 1.00 22.23 H new ATOM 0 HB3 ALA A 133 21.202 19.522 20.338 1.00 22.23 H new ATOM 1919 N VAL A 134 22.225 18.872 16.493 1.00 55.21 N ATOM 1920 CA VAL A 134 23.350 18.138 15.935 1.00 14.23 C ATOM 1921 C VAL A 134 24.457 19.102 15.530 1.00 75.02 C ATOM 1922 O VAL A 134 24.286 19.911 14.615 1.00 44.45 O ATOM 1923 CB VAL A 134 22.955 17.287 14.706 1.00 13.33 C ATOM 1924 CG1 VAL A 134 24.089 16.324 14.362 1.00 2.32 C ATOM 1925 CG2 VAL A 134 21.646 16.540 14.952 1.00 40.12 C ATOM 0 H VAL A 134 21.754 19.489 15.831 1.00 55.21 H new ATOM 0 HA VAL A 134 23.698 17.461 16.715 1.00 14.23 H new ATOM 0 HB VAL A 134 22.791 17.949 13.856 1.00 13.33 H new ATOM 0 HG11 VAL A 134 23.808 15.726 13.495 1.00 2.32 H new ATOM 0 HG12 VAL A 134 24.991 16.891 14.134 1.00 2.32 H new ATOM 0 HG13 VAL A 134 24.278 15.667 15.211 1.00 2.32 H new ATOM 0 HG21 VAL A 134 21.393 15.950 14.071 1.00 40.12 H new ATOM 0 HG22 VAL A 134 21.760 15.879 15.811 1.00 40.12 H new ATOM 0 HG23 VAL A 134 20.849 17.257 15.149 1.00 40.12 H new ATOM 1935 N ARG A 135 25.585 19.018 16.216 1.00 5.32 N ATOM 1936 CA ARG A 135 26.722 19.883 15.933 1.00 35.41 C ATOM 1937 C ARG A 135 27.574 19.257 14.827 1.00 62.34 C ATOM 1938 O ARG A 135 28.378 18.361 15.082 1.00 24.24 O ATOM 1939 CB ARG A 135 27.543 20.111 17.220 1.00 72.41 C ATOM 1940 CG ARG A 135 28.440 21.352 17.192 1.00 24.53 C ATOM 1941 CD ARG A 135 29.689 21.166 16.337 1.00 72.30 C ATOM 1942 NE ARG A 135 30.438 22.418 16.206 1.00 54.11 N ATOM 1943 CZ ARG A 135 31.586 22.683 16.831 1.00 2.05 C ATOM 1944 NH1 ARG A 135 32.156 21.774 17.611 1.00 12.22 N1+ ATOM 1945 NH2 ARG A 135 32.162 23.865 16.674 1.00 32.21 N ATOM 0 H ARG A 135 25.739 18.357 16.977 1.00 5.32 H new ATOM 0 HA ARG A 135 26.372 20.855 15.586 1.00 35.41 H new ATOM 0 HB2 ARG A 135 26.857 20.193 18.063 1.00 72.41 H new ATOM 0 HB3 ARG A 135 28.164 19.234 17.399 1.00 72.41 H new ATOM 0 HG2 ARG A 135 27.868 22.198 16.811 1.00 24.53 H new ATOM 0 HG3 ARG A 135 28.738 21.601 18.211 1.00 24.53 H new ATOM 0 HD2 ARG A 135 30.327 20.403 16.783 1.00 72.30 H new ATOM 0 HD3 ARG A 135 29.405 20.805 15.349 1.00 72.30 H new ATOM 0 HE ARG A 135 30.055 23.138 15.594 1.00 54.11 H new ATOM 0 HH11 ARG A 135 31.716 20.862 17.737 1.00 12.22 H new ATOM 0 HH12 ARG A 135 33.034 21.987 18.084 1.00 12.22 H new ATOM 0 HH21 ARG A 135 31.728 24.569 16.077 1.00 32.21 H new ATOM 0 HH22 ARG A 135 33.040 24.072 17.150 1.00 32.21 H new ATOM 1959 N LEU A 136 27.362 19.706 13.592 1.00 14.32 N ATOM 1960 CA LEU A 136 28.128 19.216 12.449 1.00 2.32 C ATOM 1961 C LEU A 136 29.537 19.808 12.450 1.00 50.04 C ATOM 1962 O LEU A 136 29.716 21.029 12.449 1.00 1.31 O ATOM 1963 CB LEU A 136 27.407 19.536 11.128 1.00 33.50 C ATOM 1964 CG LEU A 136 26.187 18.650 10.814 1.00 40.54 C ATOM 1965 CD1 LEU A 136 25.477 19.124 9.547 1.00 3.54 C ATOM 1966 CD2 LEU A 136 26.609 17.188 10.672 1.00 32.41 C ATOM 0 H LEU A 136 26.663 20.411 13.357 1.00 14.32 H new ATOM 0 HA LEU A 136 28.211 18.133 12.537 1.00 2.32 H new ATOM 0 HB2 LEU A 136 27.083 20.577 11.152 1.00 33.50 H new ATOM 0 HB3 LEU A 136 28.122 19.444 10.311 1.00 33.50 H new ATOM 0 HG LEU A 136 25.488 18.732 11.646 1.00 40.54 H new ATOM 0 HD11 LEU A 136 24.619 18.481 9.348 1.00 3.54 H new ATOM 0 HD12 LEU A 136 25.137 20.151 9.683 1.00 3.54 H new ATOM 0 HD13 LEU A 136 26.167 19.079 8.705 1.00 3.54 H new ATOM 0 HD21 LEU A 136 25.734 16.577 10.450 1.00 32.41 H new ATOM 0 HD22 LEU A 136 27.332 17.095 9.861 1.00 32.41 H new ATOM 0 HD23 LEU A 136 27.063 16.848 11.603 1.00 32.41 H new ATOM 1978 N VAL A 137 30.526 18.925 12.470 1.00 24.14 N ATOM 1979 CA VAL A 137 31.933 19.307 12.474 1.00 11.21 C ATOM 1980 C VAL A 137 32.706 18.471 11.454 1.00 22.22 C ATOM 1981 O VAL A 137 32.544 17.252 11.379 1.00 60.11 O ATOM 1982 CB VAL A 137 32.549 19.159 13.899 1.00 74.42 C ATOM 1983 CG1 VAL A 137 31.801 18.097 14.697 1.00 2.12 C ATOM 1984 CG2 VAL A 137 34.043 18.824 13.841 1.00 51.44 C ATOM 0 H VAL A 137 30.374 17.916 12.484 1.00 24.14 H new ATOM 0 HA VAL A 137 32.008 20.357 12.191 1.00 11.21 H new ATOM 0 HB VAL A 137 32.444 20.121 14.401 1.00 74.42 H new ATOM 0 HG11 VAL A 137 32.245 18.007 15.689 1.00 2.12 H new ATOM 0 HG12 VAL A 137 30.754 18.384 14.793 1.00 2.12 H new ATOM 0 HG13 VAL A 137 31.869 17.139 14.181 1.00 2.12 H new ATOM 0 HG21 VAL A 137 34.434 18.729 14.854 1.00 51.44 H new ATOM 0 HG22 VAL A 137 34.185 17.884 13.308 1.00 51.44 H new ATOM 0 HG23 VAL A 137 34.574 19.620 13.320 1.00 51.44 H new ATOM 1994 N VAL A 138 33.535 19.138 10.664 1.00 43.23 N ATOM 1995 CA VAL A 138 34.305 18.480 9.615 1.00 53.11 C ATOM 1996 C VAL A 138 35.743 18.261 10.071 1.00 13.33 C ATOM 1997 O VAL A 138 36.339 19.113 10.738 1.00 44.02 O ATOM 1998 CB VAL A 138 34.295 19.272 8.287 1.00 15.42 C ATOM 1999 CG1 VAL A 138 32.886 19.746 7.949 1.00 20.25 C ATOM 2000 CG2 VAL A 138 35.275 20.433 8.341 1.00 13.44 C ATOM 0 H VAL A 138 33.693 20.143 10.730 1.00 43.23 H new ATOM 0 HA VAL A 138 33.826 17.519 9.428 1.00 53.11 H new ATOM 0 HB VAL A 138 34.619 18.604 7.489 1.00 15.42 H new ATOM 0 HG11 VAL A 138 32.904 20.301 7.011 1.00 20.25 H new ATOM 0 HG12 VAL A 138 32.226 18.884 7.848 1.00 20.25 H new ATOM 0 HG13 VAL A 138 32.519 20.393 8.746 1.00 20.25 H new ATOM 0 HG21 VAL A 138 35.250 20.975 7.395 1.00 13.44 H new ATOM 0 HG22 VAL A 138 34.997 21.106 9.152 1.00 13.44 H new ATOM 0 HG23 VAL A 138 36.281 20.052 8.514 1.00 13.44 H new ATOM 2010 N ALA A 139 36.275 17.104 9.746 1.00 53.03 N ATOM 2011 CA ALA A 139 37.624 16.720 10.164 1.00 12.31 C ATOM 2012 C ALA A 139 38.537 16.534 8.954 1.00 73.13 C ATOM 2013 O ALA A 139 38.144 16.806 7.813 1.00 43.50 O ATOM 2014 CB ALA A 139 37.577 15.447 11.001 1.00 22.50 C ATOM 0 H ALA A 139 35.795 16.399 9.187 1.00 53.03 H new ATOM 0 HA ALA A 139 38.034 17.523 10.776 1.00 12.31 H new ATOM 0 HB1 ALA A 139 38.588 15.174 11.305 1.00 22.50 H new ATOM 0 HB2 ALA A 139 36.965 15.617 11.887 1.00 22.50 H new ATOM 0 HB3 ALA A 139 37.145 14.639 10.411 1.00 22.50 H new ATOM 2021 N MET B 1 25.827 24.494 25.309 1.00 72.34 N ATOM 2022 CA MET B 1 25.040 24.086 26.464 1.00 63.32 C ATOM 2023 C MET B 1 25.927 23.441 27.520 1.00 71.35 C ATOM 2024 O MET B 1 27.119 23.211 27.293 1.00 2.40 O ATOM 2025 CB MET B 1 23.944 23.100 26.047 1.00 41.04 C ATOM 2026 CG MET B 1 24.488 21.749 25.609 1.00 5.33 C ATOM 2027 SD MET B 1 23.202 20.616 25.049 1.00 24.33 S ATOM 2028 CE MET B 1 22.405 20.218 26.601 1.00 72.42 C ATOM 0 H1 MET B 1 25.820 25.531 25.233 1.00 72.34 H new ATOM 0 H2 MET B 1 26.806 24.161 25.421 1.00 72.34 H new ATOM 0 H3 MET B 1 25.418 24.081 24.447 1.00 72.34 H new ATOM 0 HA MET B 1 24.578 24.978 26.886 1.00 63.32 H new ATOM 0 HB2 MET B 1 23.258 22.955 26.882 1.00 41.04 H new ATOM 0 HB3 MET B 1 23.366 23.533 25.231 1.00 41.04 H new ATOM 0 HG2 MET B 1 25.208 21.898 24.805 1.00 5.33 H new ATOM 0 HG3 MET B 1 25.027 21.295 26.440 1.00 5.33 H new ATOM 0 HE1 MET B 1 21.948 19.231 26.533 1.00 72.42 H new ATOM 0 HE2 MET B 1 23.145 20.221 27.401 1.00 72.42 H new ATOM 0 HE3 MET B 1 21.636 20.960 26.816 1.00 72.42 H new ATOM 2038 N ASN B 2 25.333 23.136 28.663 1.00 33.33 N ATOM 2039 CA ASN B 2 26.044 22.488 29.759 1.00 51.30 C ATOM 2040 C ASN B 2 25.726 21.000 29.764 1.00 60.31 C ATOM 2041 O ASN B 2 24.774 20.555 30.407 1.00 61.35 O ATOM 2042 CB ASN B 2 25.681 23.115 31.114 1.00 21.53 C ATOM 2043 CG ASN B 2 26.414 22.455 32.278 1.00 32.42 C ATOM 2044 OD1 ASN B 2 27.534 21.961 32.123 1.00 51.33 O ATOM 2045 ND2 ASN B 2 25.793 22.444 33.450 1.00 42.33 N ATOM 0 H ASN B 2 24.351 23.328 28.859 1.00 33.33 H new ATOM 0 HA ASN B 2 27.114 22.632 29.606 1.00 51.30 H new ATOM 0 HB2 ASN B 2 25.920 24.178 31.094 1.00 21.53 H new ATOM 0 HB3 ASN B 2 24.606 23.033 31.272 1.00 21.53 H new ATOM 0 HD21 ASN B 2 26.241 22.017 34.261 1.00 42.33 H new ATOM 0 HD22 ASN B 2 24.867 22.862 33.541 1.00 42.33 H new ATOM 2052 N ILE B 3 26.491 20.248 28.993 1.00 21.23 N ATOM 2053 CA ILE B 3 26.326 18.804 28.915 1.00 72.42 C ATOM 2054 C ILE B 3 26.654 18.136 30.249 1.00 64.03 C ATOM 2055 O ILE B 3 27.747 18.307 30.791 1.00 40.30 O ATOM 2056 CB ILE B 3 27.221 18.210 27.802 1.00 60.30 C ATOM 2057 CG1 ILE B 3 26.808 18.776 26.438 1.00 50.54 C ATOM 2058 CG2 ILE B 3 27.149 16.684 27.797 1.00 62.10 C ATOM 2059 CD1 ILE B 3 25.457 18.284 25.962 1.00 13.01 C ATOM 0 H ILE B 3 27.240 20.616 28.406 1.00 21.23 H new ATOM 0 HA ILE B 3 25.281 18.607 28.676 1.00 72.42 H new ATOM 0 HB ILE B 3 28.254 18.494 28.002 1.00 60.30 H new ATOM 0 HG12 ILE B 3 26.789 19.864 26.496 1.00 50.54 H new ATOM 0 HG13 ILE B 3 27.564 18.509 25.699 1.00 50.54 H new ATOM 0 HG21 ILE B 3 27.787 16.292 27.005 1.00 62.10 H new ATOM 0 HG22 ILE B 3 27.488 16.301 28.759 1.00 62.10 H new ATOM 0 HG23 ILE B 3 26.120 16.369 27.623 1.00 62.10 H new ATOM 0 HD11 ILE B 3 25.230 18.725 24.991 1.00 13.01 H new ATOM 0 HD12 ILE B 3 25.477 17.198 25.871 1.00 13.01 H new ATOM 0 HD13 ILE B 3 24.690 18.574 26.680 1.00 13.01 H new ATOM 2071 N LEU B 4 25.692 17.383 30.765 1.00 23.11 N ATOM 2072 CA LEU B 4 25.864 16.621 31.999 1.00 23.43 C ATOM 2073 C LEU B 4 26.605 15.323 31.715 1.00 41.14 C ATOM 2074 O LEU B 4 27.508 14.932 32.459 1.00 62.34 O ATOM 2075 CB LEU B 4 24.502 16.303 32.628 1.00 50.44 C ATOM 2076 CG LEU B 4 23.651 17.523 32.999 1.00 31.23 C ATOM 2077 CD1 LEU B 4 22.295 17.087 33.551 1.00 75.25 C ATOM 2078 CD2 LEU B 4 24.382 18.412 34.004 1.00 11.04 C ATOM 0 H LEU B 4 24.770 17.282 30.342 1.00 23.11 H new ATOM 0 HA LEU B 4 26.446 17.225 32.696 1.00 23.43 H new ATOM 0 HB2 LEU B 4 23.935 15.683 31.933 1.00 50.44 H new ATOM 0 HB3 LEU B 4 24.665 15.708 33.526 1.00 50.44 H new ATOM 0 HG LEU B 4 23.481 18.105 32.093 1.00 31.23 H new ATOM 0 HD11 LEU B 4 21.707 17.968 33.808 1.00 75.25 H new ATOM 0 HD12 LEU B 4 21.766 16.504 32.797 1.00 75.25 H new ATOM 0 HD13 LEU B 4 22.444 16.477 34.442 1.00 75.25 H new ATOM 0 HD21 LEU B 4 23.758 19.271 34.251 1.00 11.04 H new ATOM 0 HD22 LEU B 4 24.591 17.842 34.909 1.00 11.04 H new ATOM 0 HD23 LEU B 4 25.320 18.758 33.569 1.00 11.04 H new ATOM 2090 N TYR B 5 26.217 14.650 30.633 1.00 23.42 N ATOM 2091 CA TYR B 5 26.844 13.374 30.274 1.00 44.15 C ATOM 2092 C TYR B 5 26.996 13.255 28.766 1.00 24.15 C ATOM 2093 O TYR B 5 26.057 13.517 28.025 1.00 75.34 O ATOM 2094 CB TYR B 5 26.017 12.199 30.815 1.00 21.21 C ATOM 2095 CG TYR B 5 26.649 10.829 30.593 1.00 10.12 C ATOM 2096 CD1 TYR B 5 26.441 10.120 29.411 1.00 52.12 C ATOM 2097 CD2 TYR B 5 27.448 10.241 31.572 1.00 71.12 C ATOM 2098 CE1 TYR B 5 27.008 8.875 29.213 1.00 75.45 C ATOM 2099 CE2 TYR B 5 28.020 8.996 31.378 1.00 10.31 C ATOM 2100 CZ TYR B 5 27.797 8.318 30.199 1.00 52.51 C ATOM 2101 OH TYR B 5 28.362 7.074 30.005 1.00 25.44 O ATOM 0 H TYR B 5 25.483 14.959 29.996 1.00 23.42 H new ATOM 0 HA TYR B 5 27.835 13.344 30.726 1.00 44.15 H new ATOM 0 HB2 TYR B 5 25.859 12.344 31.884 1.00 21.21 H new ATOM 0 HB3 TYR B 5 25.035 12.214 30.342 1.00 21.21 H new ATOM 0 HD1 TYR B 5 25.825 10.551 28.636 1.00 52.12 H new ATOM 0 HD2 TYR B 5 27.624 10.767 32.499 1.00 71.12 H new ATOM 0 HE1 TYR B 5 26.834 8.340 28.291 1.00 75.45 H new ATOM 0 HE2 TYR B 5 28.638 8.558 32.147 1.00 10.31 H new ATOM 0 HH TYR B 5 28.889 6.827 30.794 1.00 25.44 H new ATOM 2111 N LYS B 6 28.180 12.862 28.321 1.00 30.03 N ATOM 2112 CA LYS B 6 28.449 12.670 26.900 1.00 63.12 C ATOM 2113 C LYS B 6 29.284 11.410 26.665 1.00 12.41 C ATOM 2114 O LYS B 6 30.125 11.044 27.489 1.00 54.02 O ATOM 2115 CB LYS B 6 29.151 13.906 26.305 1.00 22.40 C ATOM 2116 CG LYS B 6 29.603 13.725 24.856 1.00 43.31 C ATOM 2117 CD LYS B 6 29.972 15.046 24.186 1.00 65.01 C ATOM 2118 CE LYS B 6 28.747 15.919 23.924 1.00 23.11 C ATOM 2119 NZ LYS B 6 29.051 17.057 23.012 1.00 52.41 N1+ ATOM 0 H LYS B 6 28.977 12.668 28.927 1.00 30.03 H new ATOM 0 HA LYS B 6 27.493 12.541 26.392 1.00 63.12 H new ATOM 0 HB2 LYS B 6 28.473 14.758 26.360 1.00 22.40 H new ATOM 0 HB3 LYS B 6 30.019 14.149 26.918 1.00 22.40 H new ATOM 0 HG2 LYS B 6 30.463 13.056 24.829 1.00 43.31 H new ATOM 0 HG3 LYS B 6 28.806 13.244 24.288 1.00 43.31 H new ATOM 0 HD2 LYS B 6 30.675 15.589 24.818 1.00 65.01 H new ATOM 0 HD3 LYS B 6 30.481 14.844 23.244 1.00 65.01 H new ATOM 0 HE2 LYS B 6 27.955 15.309 23.490 1.00 23.11 H new ATOM 0 HE3 LYS B 6 28.369 16.305 24.871 1.00 23.11 H new ATOM 0 HZ1 LYS B 6 28.174 17.572 22.795 1.00 52.41 H new ATOM 0 HZ2 LYS B 6 29.726 17.701 23.473 1.00 52.41 H new ATOM 0 HZ3 LYS B 6 29.466 16.694 22.130 1.00 52.41 H new ATOM 2133 N THR B 7 29.020 10.751 25.544 1.00 10.14 N ATOM 2134 CA THR B 7 29.760 9.571 25.122 1.00 42.05 C ATOM 2135 C THR B 7 30.037 9.668 23.620 1.00 63.52 C ATOM 2136 O THR B 7 29.372 10.432 22.912 1.00 72.52 O ATOM 2137 CB THR B 7 28.979 8.272 25.450 1.00 0.35 C ATOM 2138 OG1 THR B 7 29.744 7.118 25.072 1.00 0.11 O ATOM 2139 CG2 THR B 7 27.614 8.246 24.756 1.00 24.11 C ATOM 0 H THR B 7 28.280 11.024 24.897 1.00 10.14 H new ATOM 0 HA THR B 7 30.703 9.530 25.667 1.00 42.05 H new ATOM 0 HB THR B 7 28.810 8.253 26.527 1.00 0.35 H new ATOM 0 HG1 THR B 7 29.239 6.306 25.287 1.00 0.11 H new ATOM 0 HG21 THR B 7 27.095 7.321 25.009 1.00 24.11 H new ATOM 0 HG22 THR B 7 27.021 9.098 25.088 1.00 24.11 H new ATOM 0 HG23 THR B 7 27.754 8.300 23.676 1.00 24.11 H new ATOM 2147 N ALA B 8 31.008 8.905 23.130 1.00 4.15 N ATOM 2148 CA ALA B 8 31.451 9.030 21.745 1.00 51.31 C ATOM 2149 C ALA B 8 31.411 7.697 21.010 1.00 33.43 C ATOM 2150 O ALA B 8 31.611 6.633 21.601 1.00 64.22 O ATOM 2151 CB ALA B 8 32.860 9.611 21.690 1.00 24.44 C ATOM 0 H ALA B 8 31.503 8.195 23.669 1.00 4.15 H new ATOM 0 HA ALA B 8 30.759 9.706 21.244 1.00 51.31 H new ATOM 0 HB1 ALA B 8 33.177 9.698 20.651 1.00 24.44 H new ATOM 0 HB2 ALA B 8 32.866 10.597 22.155 1.00 24.44 H new ATOM 0 HB3 ALA B 8 33.546 8.954 22.225 1.00 24.44 H new ATOM 2157 N ALA B 9 31.168 7.775 19.710 1.00 21.22 N ATOM 2158 CA ALA B 9 31.186 6.619 18.829 1.00 20.22 C ATOM 2159 C ALA B 9 31.825 7.016 17.507 1.00 31.45 C ATOM 2160 O ALA B 9 31.821 8.187 17.147 1.00 1.21 O ATOM 2161 CB ALA B 9 29.775 6.085 18.613 1.00 3.15 C ATOM 0 H ALA B 9 30.951 8.651 19.234 1.00 21.22 H new ATOM 0 HA ALA B 9 31.771 5.821 19.286 1.00 20.22 H new ATOM 0 HB1 ALA B 9 29.811 5.220 17.951 1.00 3.15 H new ATOM 0 HB2 ALA B 9 29.347 5.791 19.571 1.00 3.15 H new ATOM 0 HB3 ALA B 9 29.157 6.862 18.162 1.00 3.15 H new ATOM 2167 N THR B 10 32.365 6.051 16.791 1.00 33.23 N ATOM 2168 CA THR B 10 33.041 6.302 15.535 1.00 64.31 C ATOM 2169 C THR B 10 32.651 5.214 14.547 1.00 63.33 C ATOM 2170 O THR B 10 32.711 4.022 14.857 1.00 30.04 O ATOM 2171 CB THR B 10 34.582 6.360 15.708 1.00 62.43 C ATOM 2172 OG1 THR B 10 35.210 6.688 14.461 1.00 21.44 O ATOM 2173 CG2 THR B 10 35.139 5.038 16.236 1.00 23.24 C ATOM 0 H THR B 10 32.347 5.068 17.064 1.00 33.23 H new ATOM 0 HA THR B 10 32.732 7.277 15.158 1.00 64.31 H new ATOM 0 HB THR B 10 34.802 7.136 16.441 1.00 62.43 H new ATOM 0 HG1 THR B 10 36.182 6.723 14.583 1.00 21.44 H new ATOM 0 HG21 THR B 10 36.221 5.116 16.344 1.00 23.24 H new ATOM 0 HG22 THR B 10 34.692 4.816 17.205 1.00 23.24 H new ATOM 0 HG23 THR B 10 34.902 4.237 15.535 1.00 23.24 H new ATOM 2181 N SER B 11 32.213 5.629 13.380 1.00 64.42 N ATOM 2182 CA SER B 11 31.680 4.708 12.395 1.00 20.54 C ATOM 2183 C SER B 11 32.505 4.743 11.110 1.00 44.42 C ATOM 2184 O SER B 11 32.556 5.759 10.416 1.00 74.01 O ATOM 2185 CB SER B 11 30.216 5.065 12.128 1.00 74.14 C ATOM 2186 OG SER B 11 29.457 5.004 13.328 1.00 11.25 O ATOM 0 H SER B 11 32.215 6.606 13.086 1.00 64.42 H new ATOM 0 HA SER B 11 31.736 3.690 12.779 1.00 20.54 H new ATOM 0 HB2 SER B 11 30.153 6.066 11.702 1.00 74.14 H new ATOM 0 HB3 SER B 11 29.798 4.379 11.392 1.00 74.14 H new ATOM 0 HG SER B 11 28.727 5.657 13.287 1.00 11.25 H new ATOM 2192 N THR B 12 33.175 3.634 10.817 1.00 44.31 N ATOM 2193 CA THR B 12 34.012 3.520 9.633 1.00 14.13 C ATOM 2194 C THR B 12 33.238 2.863 8.490 1.00 53.42 C ATOM 2195 O THR B 12 32.256 2.150 8.721 1.00 32.44 O ATOM 2196 CB THR B 12 35.264 2.667 9.938 1.00 2.30 C ATOM 2197 OG1 THR B 12 35.780 3.004 11.234 1.00 14.42 O ATOM 2198 CG2 THR B 12 36.348 2.881 8.890 1.00 31.31 C ATOM 0 H THR B 12 33.152 2.792 11.393 1.00 44.31 H new ATOM 0 HA THR B 12 34.314 4.525 9.339 1.00 14.13 H new ATOM 0 HB THR B 12 34.969 1.618 9.918 1.00 2.30 H new ATOM 0 HG1 THR B 12 36.700 3.331 11.145 1.00 14.42 H new ATOM 0 HG21 THR B 12 37.215 2.267 9.133 1.00 31.31 H new ATOM 0 HG22 THR B 12 35.967 2.598 7.909 1.00 31.31 H new ATOM 0 HG23 THR B 12 36.639 3.931 8.877 1.00 31.31 H new ATOM 2206 N GLY B 13 33.683 3.100 7.266 1.00 25.11 N ATOM 2207 CA GLY B 13 33.105 2.430 6.120 1.00 71.12 C ATOM 2208 C GLY B 13 33.855 1.157 5.787 1.00 70.11 C ATOM 2209 O GLY B 13 34.623 1.122 4.829 1.00 42.34 O ATOM 0 H GLY B 13 34.439 3.748 7.045 1.00 25.11 H new ATOM 0 HA2 GLY B 13 32.060 2.196 6.323 1.00 71.12 H new ATOM 0 HA3 GLY B 13 33.121 3.099 5.260 1.00 71.12 H new ATOM 2213 N GLY B 14 33.655 0.117 6.607 1.00 21.54 N ATOM 2214 CA GLY B 14 34.316 -1.160 6.375 1.00 31.21 C ATOM 2215 C GLY B 14 33.995 -1.743 5.007 1.00 73.40 C ATOM 2216 O GLY B 14 34.600 -1.361 4.005 1.00 13.01 O ATOM 0 H GLY B 14 33.047 0.140 7.426 1.00 21.54 H new ATOM 0 HA2 GLY B 14 35.394 -1.029 6.466 1.00 31.21 H new ATOM 0 HA3 GLY B 14 34.014 -1.867 7.148 1.00 31.21 H new ATOM 2220 N ARG B 15 33.060 -2.686 4.960 1.00 12.42 N ATOM 2221 CA ARG B 15 32.585 -3.225 3.687 1.00 62.32 C ATOM 2222 C ARG B 15 31.419 -2.389 3.171 1.00 53.41 C ATOM 2223 O ARG B 15 31.452 -1.885 2.046 1.00 34.04 O ATOM 2224 CB ARG B 15 32.179 -4.702 3.832 1.00 22.32 C ATOM 2225 CG ARG B 15 31.446 -5.284 2.618 1.00 23.03 C ATOM 2226 CD ARG B 15 32.155 -4.978 1.299 1.00 52.22 C ATOM 2227 NE ARG B 15 33.545 -5.436 1.286 1.00 65.14 N ATOM 2228 CZ ARG B 15 34.418 -5.145 0.319 1.00 55.23 C ATOM 2229 NH1 ARG B 15 34.052 -4.384 -0.706 1.00 21.14 N1+ ATOM 2230 NH2 ARG B 15 35.661 -5.600 0.388 1.00 51.30 N ATOM 0 H ARG B 15 32.617 -3.093 5.784 1.00 12.42 H new ATOM 0 HA ARG B 15 33.398 -3.175 2.963 1.00 62.32 H new ATOM 0 HB2 ARG B 15 33.075 -5.295 4.018 1.00 22.32 H new ATOM 0 HB3 ARG B 15 31.541 -4.805 4.709 1.00 22.32 H new ATOM 0 HG2 ARG B 15 31.357 -6.364 2.736 1.00 23.03 H new ATOM 0 HG3 ARG B 15 30.433 -4.882 2.583 1.00 23.03 H new ATOM 0 HD2 ARG B 15 31.613 -5.452 0.481 1.00 52.22 H new ATOM 0 HD3 ARG B 15 32.129 -3.903 1.118 1.00 52.22 H new ATOM 0 HE ARG B 15 33.866 -6.013 2.063 1.00 65.14 H new ATOM 0 HH11 ARG B 15 33.101 -4.019 -0.756 1.00 21.14 H new ATOM 0 HH12 ARG B 15 34.722 -4.164 -1.443 1.00 21.14 H new ATOM 0 HH21 ARG B 15 35.951 -6.173 1.180 1.00 51.30 H new ATOM 0 HH22 ARG B 15 36.327 -5.377 -0.351 1.00 51.30 H new ATOM 2244 N ASP B 16 30.389 -2.241 3.998 1.00 43.23 N ATOM 2245 CA ASP B 16 29.238 -1.424 3.632 1.00 64.45 C ATOM 2246 C ASP B 16 28.988 -0.372 4.712 1.00 45.23 C ATOM 2247 O ASP B 16 28.726 0.792 4.403 1.00 44.01 O ATOM 2248 CB ASP B 16 28.006 -2.309 3.428 1.00 65.33 C ATOM 2249 CG ASP B 16 26.850 -1.572 2.763 1.00 54.31 C ATOM 2250 OD1 ASP B 16 26.121 -0.831 3.453 1.00 24.34 O ATOM 2251 OD2 ASP B 16 26.671 -1.718 1.535 1.00 12.23 O1- ATOM 0 H ASP B 16 30.328 -2.673 4.920 1.00 43.23 H new ATOM 0 HA ASP B 16 29.442 -0.911 2.692 1.00 64.45 H new ATOM 0 HB2 ASP B 16 28.280 -3.170 2.818 1.00 65.33 H new ATOM 0 HB3 ASP B 16 27.678 -2.694 4.393 1.00 65.33 H new ATOM 2256 N GLY B 17 29.082 -0.776 5.983 1.00 22.41 N ATOM 2257 CA GLY B 17 29.197 0.197 7.054 1.00 74.22 C ATOM 2258 C GLY B 17 29.655 -0.439 8.350 1.00 32.04 C ATOM 2259 O GLY B 17 29.463 -1.638 8.558 1.00 11.23 O ATOM 0 H GLY B 17 29.080 -1.751 6.283 1.00 22.41 H new ATOM 0 HA2 GLY B 17 29.902 0.975 6.763 1.00 74.22 H new ATOM 0 HA3 GLY B 17 28.233 0.682 7.209 1.00 74.22 H new ATOM 2263 N ARG B 18 30.276 0.352 9.216 1.00 41.41 N ATOM 2264 CA ARG B 18 30.694 -0.118 10.534 1.00 45.30 C ATOM 2265 C ARG B 18 30.387 0.944 11.587 1.00 1.35 C ATOM 2266 O ARG B 18 30.423 2.137 11.291 1.00 0.54 O ATOM 2267 CB ARG B 18 32.198 -0.453 10.540 1.00 74.40 C ATOM 2268 CG ARG B 18 32.660 -1.116 11.831 1.00 53.04 C ATOM 2269 CD ARG B 18 34.144 -1.451 11.830 1.00 43.11 C ATOM 2270 NE ARG B 18 34.991 -0.255 11.886 1.00 64.22 N ATOM 2271 CZ ARG B 18 35.922 -0.045 12.821 1.00 63.34 C ATOM 2272 NH1 ARG B 18 36.051 -0.888 13.835 1.00 23.22 N1+ ATOM 2273 NH2 ARG B 18 36.702 1.027 12.758 1.00 54.01 N ATOM 0 H ARG B 18 30.503 1.329 9.029 1.00 41.41 H new ATOM 0 HA ARG B 18 30.139 -1.026 10.771 1.00 45.30 H new ATOM 0 HB2 ARG B 18 32.420 -1.112 9.701 1.00 74.40 H new ATOM 0 HB3 ARG B 18 32.768 0.463 10.385 1.00 74.40 H new ATOM 0 HG2 ARG B 18 32.443 -0.455 12.670 1.00 53.04 H new ATOM 0 HG3 ARG B 18 32.087 -2.030 11.989 1.00 53.04 H new ATOM 0 HD2 ARG B 18 34.369 -2.092 12.683 1.00 43.11 H new ATOM 0 HD3 ARG B 18 34.384 -2.020 10.932 1.00 43.11 H new ATOM 0 HE ARG B 18 34.862 0.459 11.169 1.00 64.22 H new ATOM 0 HH11 ARG B 18 35.438 -1.701 13.904 1.00 23.22 H new ATOM 0 HH12 ARG B 18 36.763 -0.724 14.547 1.00 23.22 H new ATOM 0 HH21 ARG B 18 36.592 1.694 11.994 1.00 54.01 H new ATOM 0 HH22 ARG B 18 37.412 1.184 13.474 1.00 54.01 H new ATOM 2287 N ALA B 19 30.082 0.504 12.804 1.00 25.44 N ATOM 2288 CA ALA B 19 29.791 1.407 13.917 1.00 25.14 C ATOM 2289 C ALA B 19 30.469 0.903 15.188 1.00 64.21 C ATOM 2290 O ALA B 19 30.244 -0.237 15.609 1.00 14.23 O ATOM 2291 CB ALA B 19 28.284 1.535 14.121 1.00 63.23 C ATOM 0 H ALA B 19 30.029 -0.485 13.048 1.00 25.44 H new ATOM 0 HA ALA B 19 30.185 2.396 13.682 1.00 25.14 H new ATOM 0 HB1 ALA B 19 28.086 2.211 14.953 1.00 63.23 H new ATOM 0 HB2 ALA B 19 27.827 1.932 13.215 1.00 63.23 H new ATOM 0 HB3 ALA B 19 27.862 0.554 14.341 1.00 63.23 H new ATOM 2297 N THR B 20 31.286 1.750 15.797 1.00 63.15 N ATOM 2298 CA THR B 20 32.077 1.368 16.959 1.00 31.24 C ATOM 2299 C THR B 20 31.938 2.399 18.076 1.00 2.34 C ATOM 2300 O THR B 20 32.361 3.543 17.928 1.00 75.11 O ATOM 2301 CB THR B 20 33.569 1.228 16.561 1.00 15.15 C ATOM 2302 OG1 THR B 20 33.681 0.389 15.401 1.00 53.32 O ATOM 2303 CG2 THR B 20 34.402 0.642 17.697 1.00 14.05 C ATOM 0 H THR B 20 31.419 2.717 15.502 1.00 63.15 H new ATOM 0 HA THR B 20 31.706 0.410 17.324 1.00 31.24 H new ATOM 0 HB THR B 20 33.953 2.224 16.341 1.00 15.15 H new ATOM 0 HG1 THR B 20 34.114 -0.455 15.648 1.00 53.32 H new ATOM 0 HG21 THR B 20 35.442 0.559 17.380 1.00 14.05 H new ATOM 0 HG22 THR B 20 34.339 1.294 18.568 1.00 14.05 H new ATOM 0 HG23 THR B 20 34.021 -0.346 17.955 1.00 14.05 H new ATOM 2311 N SER B 21 31.344 1.993 19.196 1.00 21.31 N ATOM 2312 CA SER B 21 31.243 2.873 20.347 1.00 32.44 C ATOM 2313 C SER B 21 32.641 3.059 20.904 1.00 11.23 C ATOM 2314 O SER B 21 33.220 2.103 21.460 1.00 42.34 O ATOM 2315 CB SER B 21 30.301 2.317 21.421 1.00 31.41 C ATOM 2316 OG SER B 21 30.176 3.215 22.511 1.00 74.21 O ATOM 0 H SER B 21 30.931 1.070 19.326 1.00 21.31 H new ATOM 0 HA SER B 21 30.818 3.827 20.036 1.00 32.44 H new ATOM 0 HB2 SER B 21 29.319 2.131 20.986 1.00 31.41 H new ATOM 0 HB3 SER B 21 30.678 1.359 21.778 1.00 31.41 H new ATOM 0 HG SER B 21 29.453 2.915 23.101 1.00 74.21 H new ATOM 2322 N HIS B 22 33.143 4.295 20.735 1.00 5.04 N ATOM 2323 CA HIS B 22 34.547 4.669 20.940 1.00 32.51 C ATOM 2324 C HIS B 22 35.077 4.215 22.288 1.00 35.24 C ATOM 2325 O HIS B 22 36.263 3.917 22.423 1.00 73.12 O ATOM 2326 CB HIS B 22 34.688 6.197 20.802 1.00 3.43 C ATOM 2327 CG HIS B 22 36.060 6.741 21.101 1.00 12.52 C ATOM 2328 ND1 HIS B 22 36.995 7.015 20.124 1.00 31.42 N ATOM 2329 CD2 HIS B 22 36.636 7.099 22.276 1.00 34.34 C ATOM 2330 CE1 HIS B 22 38.080 7.514 20.684 1.00 23.12 C ATOM 2331 NE2 HIS B 22 37.889 7.577 21.987 1.00 12.42 N ATOM 0 H HIS B 22 32.563 5.082 20.443 1.00 5.04 H new ATOM 0 HA HIS B 22 35.143 4.164 20.180 1.00 32.51 H new ATOM 0 HB2 HIS B 22 34.415 6.481 19.786 1.00 3.43 H new ATOM 0 HB3 HIS B 22 33.971 6.674 21.470 1.00 3.43 H new ATOM 0 HD2 HIS B 22 36.191 7.022 23.257 1.00 34.34 H new ATOM 0 HE1 HIS B 22 38.975 7.820 20.163 1.00 23.12 H new ATOM 0 HE2 HIS B 22 38.563 7.925 22.669 1.00 12.42 H new ATOM 2340 N ASP B 23 34.192 4.109 23.266 1.00 44.12 N ATOM 2341 CA ASP B 23 34.594 3.747 24.624 1.00 0.24 C ATOM 2342 C ASP B 23 34.784 2.230 24.730 1.00 62.21 C ATOM 2343 O ASP B 23 34.696 1.650 25.812 1.00 40.03 O ATOM 2344 CB ASP B 23 33.536 4.245 25.621 1.00 12.04 C ATOM 2345 CG ASP B 23 34.024 4.228 27.063 1.00 5.31 C ATOM 2346 OD1 ASP B 23 35.111 4.782 27.332 1.00 63.54 O ATOM 2347 OD2 ASP B 23 33.313 3.684 27.936 1.00 33.23 O1- ATOM 0 H ASP B 23 33.191 4.267 23.150 1.00 44.12 H new ATOM 0 HA ASP B 23 35.546 4.221 24.863 1.00 0.24 H new ATOM 0 HB2 ASP B 23 33.243 5.260 25.354 1.00 12.04 H new ATOM 0 HB3 ASP B 23 32.645 3.623 25.537 1.00 12.04 H new ATOM 2352 N GLN B 24 35.053 1.603 23.575 1.00 3.35 N ATOM 2353 CA GLN B 24 35.298 0.166 23.476 1.00 64.10 C ATOM 2354 C GLN B 24 34.064 -0.609 23.915 1.00 11.02 C ATOM 2355 O GLN B 24 34.138 -1.788 24.266 1.00 0.33 O ATOM 2356 CB GLN B 24 36.527 -0.236 24.308 1.00 41.34 C ATOM 2357 CG GLN B 24 37.808 0.486 23.902 1.00 71.43 C ATOM 2358 CD GLN B 24 38.158 0.290 22.436 1.00 54.02 C ATOM 2359 OE1 GLN B 24 38.855 -0.659 22.070 1.00 54.01 O ATOM 2360 NE2 GLN B 24 37.691 1.193 21.586 1.00 4.32 N ATOM 0 H GLN B 24 35.106 2.088 22.679 1.00 3.35 H new ATOM 0 HA GLN B 24 35.506 -0.081 22.435 1.00 64.10 H new ATOM 0 HB2 GLN B 24 36.324 -0.033 25.360 1.00 41.34 H new ATOM 0 HB3 GLN B 24 36.682 -1.311 24.215 1.00 41.34 H new ATOM 0 HG2 GLN B 24 37.699 1.551 24.105 1.00 71.43 H new ATOM 0 HG3 GLN B 24 38.632 0.127 24.518 1.00 71.43 H new ATOM 0 HE21 GLN B 24 37.117 1.965 21.926 1.00 4.32 H new ATOM 0 HE22 GLN B 24 37.905 1.116 20.592 1.00 4.32 H new ATOM 2369 N LYS B 25 32.923 0.069 23.868 1.00 34.11 N ATOM 2370 CA LYS B 25 31.665 -0.510 24.306 1.00 33.22 C ATOM 2371 C LYS B 25 30.904 -1.143 23.148 1.00 40.01 C ATOM 2372 O LYS B 25 30.030 -1.984 23.378 1.00 34.42 O ATOM 2373 CB LYS B 25 30.807 0.553 25.008 1.00 20.21 C ATOM 2374 CG LYS B 25 31.461 1.110 26.270 1.00 22.43 C ATOM 2375 CD LYS B 25 31.754 0.004 27.287 1.00 41.25 C ATOM 2376 CE LYS B 25 32.715 0.468 28.376 1.00 25.52 C ATOM 2377 NZ LYS B 25 32.187 1.627 29.146 1.00 5.33 N1+ ATOM 0 H LYS B 25 32.847 1.028 23.528 1.00 34.11 H new ATOM 0 HA LYS B 25 31.891 -1.304 25.017 1.00 33.22 H new ATOM 0 HB2 LYS B 25 30.613 1.371 24.315 1.00 20.21 H new ATOM 0 HB3 LYS B 25 29.841 0.119 25.267 1.00 20.21 H new ATOM 0 HG2 LYS B 25 32.389 1.618 26.006 1.00 22.43 H new ATOM 0 HG3 LYS B 25 30.807 1.856 26.721 1.00 22.43 H new ATOM 0 HD2 LYS B 25 30.821 -0.325 27.744 1.00 41.25 H new ATOM 0 HD3 LYS B 25 32.178 -0.858 26.773 1.00 41.25 H new ATOM 0 HE2 LYS B 25 32.912 -0.359 29.059 1.00 25.52 H new ATOM 0 HE3 LYS B 25 33.668 0.741 27.923 1.00 25.52 H new ATOM 0 HZ1 LYS B 25 32.706 1.713 30.043 1.00 5.33 H new ATOM 0 HZ2 LYS B 25 32.309 2.498 28.590 1.00 5.33 H new ATOM 0 HZ3 LYS B 25 31.176 1.481 29.344 1.00 5.33 H new ATOM 2391 N LEU B 26 31.209 -0.753 21.903 1.00 71.52 N ATOM 2392 CA LEU B 26 30.566 -1.401 20.760 1.00 40.15 C ATOM 2393 C LEU B 26 31.499 -1.431 19.560 1.00 62.33 C ATOM 2394 O LEU B 26 32.280 -0.512 19.367 1.00 50.50 O ATOM 2395 CB LEU B 26 29.269 -0.667 20.409 1.00 64.14 C ATOM 2396 CG LEU B 26 28.533 -1.171 19.163 1.00 70.42 C ATOM 2397 CD1 LEU B 26 28.018 -2.594 19.366 1.00 23.12 C ATOM 2398 CD2 LEU B 26 27.399 -0.220 18.804 1.00 31.22 C ATOM 0 H LEU B 26 31.875 -0.017 21.669 1.00 71.52 H new ATOM 0 HA LEU B 26 30.331 -2.430 21.030 1.00 40.15 H new ATOM 0 HB2 LEU B 26 28.592 -0.737 21.261 1.00 64.14 H new ATOM 0 HB3 LEU B 26 29.498 0.390 20.270 1.00 64.14 H new ATOM 0 HG LEU B 26 29.237 -1.196 18.331 1.00 70.42 H new ATOM 0 HD11 LEU B 26 27.500 -2.925 18.466 1.00 23.12 H new ATOM 0 HD12 LEU B 26 28.857 -3.259 19.567 1.00 23.12 H new ATOM 0 HD13 LEU B 26 27.328 -2.614 20.210 1.00 23.12 H new ATOM 0 HD21 LEU B 26 26.883 -0.588 17.917 1.00 31.22 H new ATOM 0 HD22 LEU B 26 26.696 -0.162 19.635 1.00 31.22 H new ATOM 0 HD23 LEU B 26 27.805 0.771 18.602 1.00 31.22 H new ATOM 2410 N ASP B 27 31.416 -2.502 18.776 1.00 22.45 N ATOM 2411 CA ASP B 27 32.162 -2.628 17.524 1.00 53.33 C ATOM 2412 C ASP B 27 31.442 -3.616 16.612 1.00 42.15 C ATOM 2413 O ASP B 27 31.643 -4.827 16.708 1.00 22.10 O ATOM 2414 CB ASP B 27 33.610 -3.085 17.784 1.00 24.13 C ATOM 2415 CG ASP B 27 34.430 -3.241 16.503 1.00 15.20 C ATOM 2416 OD1 ASP B 27 34.920 -2.221 15.971 1.00 3.40 O ATOM 2417 OD2 ASP B 27 34.608 -4.385 16.033 1.00 21.30 O1- ATOM 0 H ASP B 27 30.830 -3.309 18.989 1.00 22.45 H new ATOM 0 HA ASP B 27 32.210 -1.653 17.039 1.00 53.33 H new ATOM 0 HB2 ASP B 27 34.101 -2.363 18.436 1.00 24.13 H new ATOM 0 HB3 ASP B 27 33.594 -4.036 18.316 1.00 24.13 H new ATOM 2422 N VAL B 28 30.557 -3.092 15.767 1.00 42.42 N ATOM 2423 CA VAL B 28 29.758 -3.917 14.857 1.00 61.03 C ATOM 2424 C VAL B 28 29.771 -3.352 13.444 1.00 62.05 C ATOM 2425 O VAL B 28 30.305 -2.272 13.202 1.00 71.42 O ATOM 2426 CB VAL B 28 28.286 -4.056 15.325 1.00 35.33 C ATOM 2427 CG1 VAL B 28 28.190 -5.021 16.501 1.00 44.41 C ATOM 2428 CG2 VAL B 28 27.697 -2.689 15.677 1.00 74.12 C ATOM 0 H VAL B 28 30.373 -2.092 15.692 1.00 42.42 H new ATOM 0 HA VAL B 28 30.220 -4.904 14.864 1.00 61.03 H new ATOM 0 HB VAL B 28 27.698 -4.467 14.504 1.00 35.33 H new ATOM 0 HG11 VAL B 28 27.150 -5.107 16.817 1.00 44.41 H new ATOM 0 HG12 VAL B 28 28.560 -6.001 16.199 1.00 44.41 H new ATOM 0 HG13 VAL B 28 28.791 -4.646 17.329 1.00 44.41 H new ATOM 0 HG21 VAL B 28 26.664 -2.811 16.003 1.00 74.12 H new ATOM 0 HG22 VAL B 28 28.280 -2.238 16.480 1.00 74.12 H new ATOM 0 HG23 VAL B 28 27.727 -2.043 14.800 1.00 74.12 H new ATOM 2438 N LYS B 29 29.153 -4.081 12.527 1.00 64.31 N ATOM 2439 CA LYS B 29 29.174 -3.742 11.112 1.00 24.45 C ATOM 2440 C LYS B 29 27.832 -4.063 10.458 1.00 31.35 C ATOM 2441 O LYS B 29 27.220 -5.093 10.744 1.00 25.23 O ATOM 2442 CB LYS B 29 30.323 -4.507 10.435 1.00 11.40 C ATOM 2443 CG LYS B 29 30.081 -4.897 8.976 1.00 53.23 C ATOM 2444 CD LYS B 29 31.357 -5.437 8.331 1.00 3.25 C ATOM 2445 CE LYS B 29 31.086 -6.192 7.034 1.00 32.51 C ATOM 2446 NZ LYS B 29 30.491 -7.532 7.281 1.00 50.55 N1+ ATOM 0 H LYS B 29 28.622 -4.925 12.743 1.00 64.31 H new ATOM 0 HA LYS B 29 29.340 -2.671 10.994 1.00 24.45 H new ATOM 0 HB2 LYS B 29 31.224 -3.895 10.485 1.00 11.40 H new ATOM 0 HB3 LYS B 29 30.521 -5.413 11.008 1.00 11.40 H new ATOM 0 HG2 LYS B 29 29.296 -5.652 8.924 1.00 53.23 H new ATOM 0 HG3 LYS B 29 29.727 -4.030 8.419 1.00 53.23 H new ATOM 0 HD2 LYS B 29 32.036 -4.609 8.129 1.00 3.25 H new ATOM 0 HD3 LYS B 29 31.862 -6.100 9.034 1.00 3.25 H new ATOM 0 HE2 LYS B 29 30.413 -5.607 6.408 1.00 32.51 H new ATOM 0 HE3 LYS B 29 32.018 -6.306 6.480 1.00 32.51 H new ATOM 0 HZ1 LYS B 29 30.677 -8.150 6.465 1.00 50.55 H new ATOM 0 HZ2 LYS B 29 30.915 -7.948 8.134 1.00 50.55 H new ATOM 0 HZ3 LYS B 29 29.464 -7.436 7.416 1.00 50.55 H new ATOM 2460 N LEU B 30 27.375 -3.169 9.587 1.00 60.42 N ATOM 2461 CA LEU B 30 26.117 -3.348 8.880 1.00 43.12 C ATOM 2462 C LEU B 30 26.321 -3.255 7.366 1.00 50.11 C ATOM 2463 O LEU B 30 27.392 -2.819 6.881 1.00 72.32 O ATOM 2464 CB LEU B 30 25.033 -2.355 9.375 1.00 4.40 C ATOM 2465 CG LEU B 30 25.454 -0.889 9.631 1.00 61.23 C ATOM 2466 CD1 LEU B 30 26.338 -0.764 10.876 1.00 42.23 C ATOM 2467 CD2 LEU B 30 26.147 -0.301 8.411 1.00 52.40 C ATOM 0 H LEU B 30 27.865 -2.305 9.354 1.00 60.42 H new ATOM 0 HA LEU B 30 25.752 -4.351 9.104 1.00 43.12 H new ATOM 0 HB2 LEU B 30 24.227 -2.348 8.641 1.00 4.40 H new ATOM 0 HB3 LEU B 30 24.617 -2.750 10.302 1.00 4.40 H new ATOM 0 HG LEU B 30 24.546 -0.316 9.816 1.00 61.23 H new ATOM 0 HD11 LEU B 30 26.614 0.280 11.023 1.00 42.23 H new ATOM 0 HD12 LEU B 30 25.791 -1.121 11.748 1.00 42.23 H new ATOM 0 HD13 LEU B 30 27.240 -1.362 10.744 1.00 42.23 H new ATOM 0 HD21 LEU B 30 26.433 0.730 8.617 1.00 52.40 H new ATOM 0 HD22 LEU B 30 27.038 -0.886 8.182 1.00 52.40 H new ATOM 0 HD23 LEU B 30 25.467 -0.326 7.559 1.00 52.40 H new ATOM 2479 N SER B 31 25.294 -3.673 6.630 1.00 24.22 N ATOM 2480 CA SER B 31 25.357 -3.748 5.181 1.00 21.40 C ATOM 2481 C SER B 31 23.960 -3.658 4.575 1.00 43.34 C ATOM 2482 O SER B 31 23.074 -4.445 4.917 1.00 1.33 O ATOM 2483 CB SER B 31 26.039 -5.056 4.748 1.00 62.35 C ATOM 2484 OG SER B 31 27.346 -5.160 5.299 1.00 3.34 O ATOM 0 H SER B 31 24.400 -3.967 7.024 1.00 24.22 H new ATOM 0 HA SER B 31 25.944 -2.905 4.818 1.00 21.40 H new ATOM 0 HB2 SER B 31 25.437 -5.907 5.068 1.00 62.35 H new ATOM 0 HB3 SER B 31 26.095 -5.097 3.660 1.00 62.35 H new ATOM 0 HG SER B 31 27.508 -6.083 5.585 1.00 3.34 H new ATOM 2490 N ALA B 32 23.771 -2.687 3.687 1.00 40.52 N ATOM 2491 CA ALA B 32 22.508 -2.516 2.984 1.00 75.13 C ATOM 2492 C ALA B 32 22.194 -3.756 2.140 1.00 31.44 C ATOM 2493 O ALA B 32 22.963 -4.108 1.234 1.00 42.31 O ATOM 2494 CB ALA B 32 22.559 -1.269 2.106 1.00 44.15 C ATOM 0 H ALA B 32 24.484 -2.002 3.437 1.00 40.52 H new ATOM 0 HA ALA B 32 21.713 -2.391 3.719 1.00 75.13 H new ATOM 0 HB1 ALA B 32 21.609 -1.152 1.585 1.00 44.15 H new ATOM 0 HB2 ALA B 32 22.742 -0.393 2.728 1.00 44.15 H new ATOM 0 HB3 ALA B 32 23.362 -1.370 1.376 1.00 44.15 H new ATOM 2500 N PRO B 33 21.071 -4.445 2.438 1.00 64.54 N ATOM 2501 CA PRO B 33 20.635 -5.620 1.677 1.00 71.30 C ATOM 2502 C PRO B 33 20.645 -5.350 0.174 1.00 44.54 C ATOM 2503 O PRO B 33 20.072 -4.363 -0.293 1.00 60.20 O ATOM 2504 CB PRO B 33 19.207 -5.862 2.182 1.00 5.21 C ATOM 2505 CG PRO B 33 19.216 -5.324 3.572 1.00 53.32 C ATOM 2506 CD PRO B 33 20.144 -4.137 3.549 1.00 34.02 C ATOM 0 HA PRO B 33 21.291 -6.479 1.819 1.00 71.30 H new ATOM 0 HB2 PRO B 33 18.472 -5.349 1.561 1.00 5.21 H new ATOM 0 HB3 PRO B 33 18.953 -6.922 2.167 1.00 5.21 H new ATOM 0 HG2 PRO B 33 18.214 -5.030 3.884 1.00 53.32 H new ATOM 0 HG3 PRO B 33 19.562 -6.077 4.280 1.00 53.32 H new ATOM 0 HD2 PRO B 33 19.602 -3.207 3.374 1.00 34.02 H new ATOM 0 HD3 PRO B 33 20.674 -4.024 4.495 1.00 34.02 H new ATOM 2514 N ARG B 34 21.287 -6.238 -0.582 1.00 0.10 N ATOM 2515 CA ARG B 34 21.494 -6.019 -2.008 1.00 23.43 C ATOM 2516 C ARG B 34 20.164 -5.979 -2.760 1.00 64.55 C ATOM 2517 O ARG B 34 20.111 -5.563 -3.918 1.00 62.12 O ATOM 2518 CB ARG B 34 22.416 -7.087 -2.589 1.00 33.02 C ATOM 2519 CG ARG B 34 22.976 -6.708 -3.952 1.00 11.34 C ATOM 2520 CD ARG B 34 24.089 -7.643 -4.375 1.00 70.25 C ATOM 2521 NE ARG B 34 24.649 -7.287 -5.681 1.00 41.11 N ATOM 2522 CZ ARG B 34 25.853 -7.673 -6.109 1.00 71.43 C ATOM 2523 NH1 ARG B 34 26.629 -8.419 -5.330 1.00 70.13 N1+ ATOM 2524 NH2 ARG B 34 26.280 -7.316 -7.314 1.00 21.32 N ATOM 0 H ARG B 34 21.672 -7.114 -0.230 1.00 0.10 H new ATOM 0 HA ARG B 34 21.974 -5.049 -2.132 1.00 23.43 H new ATOM 0 HB2 ARG B 34 23.241 -7.262 -1.899 1.00 33.02 H new ATOM 0 HB3 ARG B 34 21.868 -8.025 -2.675 1.00 33.02 H new ATOM 0 HG2 ARG B 34 22.178 -6.732 -4.694 1.00 11.34 H new ATOM 0 HG3 ARG B 34 23.351 -5.685 -3.921 1.00 11.34 H new ATOM 0 HD2 ARG B 34 24.880 -7.624 -3.626 1.00 70.25 H new ATOM 0 HD3 ARG B 34 23.709 -8.664 -4.411 1.00 70.25 H new ATOM 0 HE ARG B 34 24.084 -6.708 -6.302 1.00 41.11 H new ATOM 0 HH11 ARG B 34 26.305 -8.697 -4.404 1.00 70.13 H new ATOM 0 HH12 ARG B 34 27.549 -8.713 -5.658 1.00 70.13 H new ATOM 0 HH21 ARG B 34 25.687 -6.745 -7.916 1.00 21.32 H new ATOM 0 HH22 ARG B 34 27.201 -7.613 -7.637 1.00 21.32 H new ATOM 2538 N GLU B 35 19.096 -6.396 -2.079 1.00 42.24 N ATOM 2539 CA GLU B 35 17.734 -6.318 -2.614 1.00 63.02 C ATOM 2540 C GLU B 35 17.458 -4.936 -3.196 1.00 12.03 C ATOM 2541 O GLU B 35 16.836 -4.795 -4.251 1.00 54.43 O ATOM 2542 CB GLU B 35 16.717 -6.590 -1.495 1.00 72.41 C ATOM 2543 CG GLU B 35 16.884 -7.939 -0.807 1.00 31.33 C ATOM 2544 CD GLU B 35 16.767 -9.107 -1.770 1.00 34.33 C ATOM 2545 OE1 GLU B 35 17.786 -9.780 -2.026 1.00 72.42 O ATOM 2546 OE2 GLU B 35 15.655 -9.354 -2.280 1.00 24.25 O1- ATOM 0 H GLU B 35 19.149 -6.797 -1.143 1.00 42.24 H new ATOM 0 HA GLU B 35 17.638 -7.066 -3.401 1.00 63.02 H new ATOM 0 HB2 GLU B 35 16.799 -5.802 -0.747 1.00 72.41 H new ATOM 0 HB3 GLU B 35 15.712 -6.530 -1.912 1.00 72.41 H new ATOM 0 HG2 GLU B 35 17.857 -7.974 -0.317 1.00 31.33 H new ATOM 0 HG3 GLU B 35 16.130 -8.040 -0.027 1.00 31.33 H new ATOM 2553 N LEU B 36 17.956 -3.924 -2.497 1.00 53.04 N ATOM 2554 CA LEU B 36 17.638 -2.531 -2.790 1.00 1.52 C ATOM 2555 C LEU B 36 18.736 -1.881 -3.632 1.00 52.10 C ATOM 2556 O LEU B 36 18.742 -0.665 -3.836 1.00 30.14 O ATOM 2557 CB LEU B 36 17.457 -1.792 -1.457 1.00 63.52 C ATOM 2558 CG LEU B 36 16.505 -2.501 -0.474 1.00 20.23 C ATOM 2559 CD1 LEU B 36 16.570 -1.879 0.915 1.00 52.43 C ATOM 2560 CD2 LEU B 36 15.076 -2.484 -1.004 1.00 15.21 C ATOM 0 H LEU B 36 18.593 -4.045 -1.710 1.00 53.04 H new ATOM 0 HA LEU B 36 16.718 -2.477 -3.373 1.00 1.52 H new ATOM 0 HB2 LEU B 36 18.431 -1.674 -0.983 1.00 63.52 H new ATOM 0 HB3 LEU B 36 17.077 -0.790 -1.657 1.00 63.52 H new ATOM 0 HG LEU B 36 16.832 -3.537 -0.387 1.00 20.23 H new ATOM 0 HD11 LEU B 36 15.886 -2.404 1.581 1.00 52.43 H new ATOM 0 HD12 LEU B 36 17.586 -1.958 1.302 1.00 52.43 H new ATOM 0 HD13 LEU B 36 16.285 -0.829 0.857 1.00 52.43 H new ATOM 0 HD21 LEU B 36 14.419 -2.989 -0.296 1.00 15.21 H new ATOM 0 HD22 LEU B 36 14.747 -1.453 -1.131 1.00 15.21 H new ATOM 0 HD23 LEU B 36 15.038 -2.998 -1.964 1.00 15.21 H new ATOM 2572 N GLY B 37 19.645 -2.708 -4.140 1.00 22.45 N ATOM 2573 CA GLY B 37 20.774 -2.210 -4.905 1.00 25.41 C ATOM 2574 C GLY B 37 21.951 -1.875 -4.012 1.00 51.22 C ATOM 2575 O GLY B 37 22.424 -0.739 -3.992 1.00 30.40 O ATOM 0 H GLY B 37 19.619 -3.722 -4.034 1.00 22.45 H new ATOM 0 HA2 GLY B 37 21.075 -2.958 -5.639 1.00 25.41 H new ATOM 0 HA3 GLY B 37 20.474 -1.321 -5.460 1.00 25.41 H new ATOM 2579 N GLY B 38 22.421 -2.871 -3.266 1.00 53.33 N ATOM 2580 CA GLY B 38 23.515 -2.662 -2.338 1.00 54.12 C ATOM 2581 C GLY B 38 24.600 -3.706 -2.496 1.00 61.21 C ATOM 2582 O GLY B 38 24.968 -4.063 -3.615 1.00 64.12 O ATOM 0 H GLY B 38 22.060 -3.825 -3.290 1.00 53.33 H new ATOM 0 HA2 GLY B 38 23.940 -1.671 -2.496 1.00 54.12 H new ATOM 0 HA3 GLY B 38 23.134 -2.687 -1.317 1.00 54.12 H new ATOM 2586 N ALA B 39 25.097 -4.213 -1.375 1.00 3.10 N ATOM 2587 CA ALA B 39 26.197 -5.179 -1.379 1.00 71.25 C ATOM 2588 C ALA B 39 25.731 -6.559 -0.919 1.00 4.43 C ATOM 2589 O ALA B 39 26.329 -7.576 -1.276 1.00 31.41 O ATOM 2590 CB ALA B 39 27.334 -4.680 -0.492 1.00 12.41 C ATOM 0 H ALA B 39 24.756 -3.972 -0.444 1.00 3.10 H new ATOM 0 HA ALA B 39 26.557 -5.276 -2.403 1.00 71.25 H new ATOM 0 HB1 ALA B 39 28.148 -5.405 -0.501 1.00 12.41 H new ATOM 0 HB2 ALA B 39 27.696 -3.723 -0.868 1.00 12.41 H new ATOM 0 HB3 ALA B 39 26.971 -4.555 0.528 1.00 12.41 H new ATOM 2596 N GLY B 40 24.646 -6.587 -0.145 1.00 23.34 N ATOM 2597 CA GLY B 40 24.156 -7.834 0.430 1.00 31.44 C ATOM 2598 C GLY B 40 25.207 -8.569 1.250 1.00 1.42 C ATOM 2599 O GLY B 40 25.180 -9.798 1.347 1.00 53.13 O ATOM 0 H GLY B 40 24.094 -5.764 0.096 1.00 23.34 H new ATOM 0 HA2 GLY B 40 23.294 -7.621 1.063 1.00 31.44 H new ATOM 0 HA3 GLY B 40 23.809 -8.485 -0.372 1.00 31.44 H new ATOM 2603 N ALA B 41 26.132 -7.816 1.838 1.00 13.10 N ATOM 2604 CA ALA B 41 27.213 -8.396 2.632 1.00 45.11 C ATOM 2605 C ALA B 41 26.702 -8.883 3.988 1.00 24.05 C ATOM 2606 O ALA B 41 25.551 -8.638 4.355 1.00 14.44 O ATOM 2607 CB ALA B 41 28.329 -7.377 2.825 1.00 11.53 C ATOM 0 H ALA B 41 26.155 -6.798 1.780 1.00 13.10 H new ATOM 0 HA ALA B 41 27.606 -9.256 2.090 1.00 45.11 H new ATOM 0 HB1 ALA B 41 29.129 -7.821 3.418 1.00 11.53 H new ATOM 0 HB2 ALA B 41 28.721 -7.078 1.853 1.00 11.53 H new ATOM 0 HB3 ALA B 41 27.937 -6.501 3.342 1.00 11.53 H new ATOM 2613 N GLU B 42 27.564 -9.579 4.724 1.00 15.20 N ATOM 2614 CA GLU B 42 27.228 -10.057 6.063 1.00 53.20 C ATOM 2615 C GLU B 42 27.196 -8.888 7.051 1.00 74.14 C ATOM 2616 O GLU B 42 28.180 -8.581 7.731 1.00 53.42 O ATOM 2617 CB GLU B 42 28.220 -11.138 6.513 1.00 21.14 C ATOM 2618 CG GLU B 42 29.671 -10.695 6.422 1.00 73.23 C ATOM 2619 CD GLU B 42 30.655 -11.824 6.683 1.00 72.34 C ATOM 2620 OE1 GLU B 42 31.061 -12.007 7.853 1.00 61.42 O ATOM 2621 OE2 GLU B 42 31.027 -12.527 5.721 1.00 61.14 O1- ATOM 0 H GLU B 42 28.504 -9.826 4.415 1.00 15.20 H new ATOM 0 HA GLU B 42 26.235 -10.506 6.037 1.00 53.20 H new ATOM 0 HB2 GLU B 42 27.997 -11.421 7.542 1.00 21.14 H new ATOM 0 HB3 GLU B 42 28.080 -12.028 5.900 1.00 21.14 H new ATOM 0 HG2 GLU B 42 29.857 -10.280 5.431 1.00 73.23 H new ATOM 0 HG3 GLU B 42 29.846 -9.894 7.141 1.00 73.23 H new ATOM 2628 N GLY B 43 26.074 -8.200 7.061 1.00 33.24 N ATOM 2629 CA GLY B 43 25.845 -7.118 8.002 1.00 35.43 C ATOM 2630 C GLY B 43 24.393 -7.054 8.420 1.00 2.13 C ATOM 2631 O GLY B 43 23.616 -7.954 8.101 1.00 72.12 O ATOM 0 H GLY B 43 25.298 -8.371 6.422 1.00 33.24 H new ATOM 0 HA2 GLY B 43 26.473 -7.259 8.882 1.00 35.43 H new ATOM 0 HA3 GLY B 43 26.138 -6.171 7.549 1.00 35.43 H new ATOM 2635 N THR B 44 24.022 -5.997 9.132 1.00 33.20 N ATOM 2636 CA THR B 44 22.642 -5.813 9.564 1.00 33.40 C ATOM 2637 C THR B 44 22.041 -4.585 8.876 1.00 35.03 C ATOM 2638 O THR B 44 22.711 -3.925 8.074 1.00 4.14 O ATOM 2639 CB THR B 44 22.543 -5.675 11.108 1.00 13.15 C ATOM 2640 OG1 THR B 44 21.169 -5.676 11.522 1.00 1.03 O ATOM 2641 CG2 THR B 44 23.219 -4.402 11.605 1.00 34.45 C ATOM 0 H THR B 44 24.658 -5.254 9.423 1.00 33.20 H new ATOM 0 HA THR B 44 22.075 -6.698 9.277 1.00 33.40 H new ATOM 0 HB THR B 44 23.060 -6.530 11.543 1.00 13.15 H new ATOM 0 HG1 THR B 44 21.121 -5.590 12.497 1.00 1.03 H new ATOM 0 HG21 THR B 44 23.128 -4.342 12.690 1.00 34.45 H new ATOM 0 HG22 THR B 44 24.273 -4.419 11.329 1.00 34.45 H new ATOM 0 HG23 THR B 44 22.739 -3.535 11.152 1.00 34.45 H new ATOM 2649 N ASN B 45 20.785 -4.289 9.196 1.00 4.01 N ATOM 2650 CA ASN B 45 20.058 -3.185 8.579 1.00 51.43 C ATOM 2651 C ASN B 45 20.152 -1.922 9.434 1.00 21.43 C ATOM 2652 O ASN B 45 19.996 -1.982 10.655 1.00 31.35 O ATOM 2653 CB ASN B 45 18.589 -3.575 8.391 1.00 71.14 C ATOM 2654 CG ASN B 45 18.322 -4.305 7.091 1.00 11.33 C ATOM 2655 OD1 ASN B 45 18.503 -5.520 6.997 1.00 33.20 O ATOM 2656 ND2 ASN B 45 17.851 -3.573 6.092 1.00 55.34 N ATOM 0 H ASN B 45 20.244 -4.806 9.889 1.00 4.01 H new ATOM 0 HA ASN B 45 20.509 -2.976 7.609 1.00 51.43 H new ATOM 0 HB2 ASN B 45 18.279 -4.206 9.224 1.00 71.14 H new ATOM 0 HB3 ASN B 45 17.975 -2.675 8.427 1.00 71.14 H new ATOM 0 HD21 ASN B 45 17.623 -4.013 5.201 1.00 55.34 H new ATOM 0 HD22 ASN B 45 17.717 -2.569 6.214 1.00 55.34 H new ATOM 2663 N PRO B 46 20.400 -0.758 8.800 1.00 54.41 N ATOM 2664 CA PRO B 46 20.508 0.523 9.510 1.00 2.04 C ATOM 2665 C PRO B 46 19.167 0.983 10.088 1.00 14.41 C ATOM 2666 O PRO B 46 19.095 1.410 11.244 1.00 12.32 O ATOM 2667 CB PRO B 46 21.003 1.494 8.427 1.00 21.50 C ATOM 2668 CG PRO B 46 20.546 0.892 7.141 1.00 13.22 C ATOM 2669 CD PRO B 46 20.601 -0.600 7.343 1.00 31.44 C ATOM 0 HA PRO B 46 21.174 0.459 10.371 1.00 2.04 H new ATOM 0 HB2 PRO B 46 20.585 2.491 8.568 1.00 21.50 H new ATOM 0 HB3 PRO B 46 22.088 1.596 8.453 1.00 21.50 H new ATOM 0 HG2 PRO B 46 19.535 1.216 6.895 1.00 13.22 H new ATOM 0 HG3 PRO B 46 21.189 1.199 6.316 1.00 13.22 H new ATOM 0 HD2 PRO B 46 19.825 -1.111 6.773 1.00 31.44 H new ATOM 0 HD3 PRO B 46 21.557 -1.014 7.022 1.00 31.44 H new ATOM 2677 N GLU B 47 18.105 0.882 9.289 1.00 51.12 N ATOM 2678 CA GLU B 47 16.783 1.324 9.723 1.00 42.23 C ATOM 2679 C GLU B 47 16.225 0.352 10.767 1.00 51.31 C ATOM 2680 O GLU B 47 15.469 0.742 11.659 1.00 51.34 O ATOM 2681 CB GLU B 47 15.832 1.497 8.515 1.00 43.35 C ATOM 2682 CG GLU B 47 15.229 0.213 7.938 1.00 13.13 C ATOM 2683 CD GLU B 47 16.250 -0.864 7.604 1.00 41.12 C ATOM 2684 OE1 GLU B 47 16.052 -2.016 8.037 1.00 53.12 O ATOM 2685 OE2 GLU B 47 17.260 -0.565 6.928 1.00 73.03 O1- ATOM 0 H GLU B 47 18.135 0.500 8.344 1.00 51.12 H new ATOM 0 HA GLU B 47 16.870 2.303 10.193 1.00 42.23 H new ATOM 0 HB2 GLU B 47 15.016 2.155 8.814 1.00 43.35 H new ATOM 0 HB3 GLU B 47 16.377 2.006 7.720 1.00 43.35 H new ATOM 0 HG2 GLU B 47 14.513 -0.191 8.653 1.00 13.13 H new ATOM 0 HG3 GLU B 47 14.672 0.461 7.035 1.00 13.13 H new ATOM 2692 N GLN B 48 16.620 -0.916 10.653 1.00 65.22 N ATOM 2693 CA GLN B 48 16.305 -1.923 11.658 1.00 23.21 C ATOM 2694 C GLN B 48 17.023 -1.600 12.965 1.00 44.13 C ATOM 2695 O GLN B 48 16.460 -1.748 14.052 1.00 15.51 O ATOM 2696 CB GLN B 48 16.729 -3.309 11.164 1.00 21.32 C ATOM 2697 CG GLN B 48 16.442 -4.447 12.140 1.00 64.34 C ATOM 2698 CD GLN B 48 14.981 -4.892 12.201 1.00 23.41 C ATOM 2699 OE1 GLN B 48 14.038 -3.994 11.948 1.00 3.40 O flip ATOM 2700 NE2 GLN B 48 14.706 -6.056 12.478 1.00 12.54 N flip ATOM 0 H GLN B 48 17.164 -1.269 9.866 1.00 65.22 H new ATOM 0 HA GLN B 48 15.229 -1.920 11.832 1.00 23.21 H new ATOM 0 HB2 GLN B 48 16.218 -3.517 10.224 1.00 21.32 H new ATOM 0 HB3 GLN B 48 17.798 -3.293 10.950 1.00 21.32 H new ATOM 0 HG2 GLN B 48 17.056 -5.305 11.866 1.00 64.34 H new ATOM 0 HG3 GLN B 48 16.754 -4.138 13.138 1.00 64.34 H new ATOM 0 HE21 GLN B 48 15.452 -6.725 12.668 1.00 12.54 H new ATOM 0 HE22 GLN B 48 13.731 -6.354 12.518 1.00 12.54 H new ATOM 2709 N LEU B 49 18.274 -1.164 12.841 1.00 25.52 N ATOM 2710 CA LEU B 49 19.078 -0.767 13.990 1.00 12.42 C ATOM 2711 C LEU B 49 18.372 0.373 14.729 1.00 73.15 C ATOM 2712 O LEU B 49 18.206 0.332 15.955 1.00 22.33 O ATOM 2713 CB LEU B 49 20.490 -0.361 13.510 1.00 25.41 C ATOM 2714 CG LEU B 49 21.548 -0.058 14.594 1.00 55.21 C ATOM 2715 CD1 LEU B 49 21.365 1.340 15.179 1.00 20.42 C ATOM 2716 CD2 LEU B 49 21.516 -1.113 15.699 1.00 31.54 C ATOM 0 H LEU B 49 18.755 -1.077 11.946 1.00 25.52 H new ATOM 0 HA LEU B 49 19.190 -1.598 14.687 1.00 12.42 H new ATOM 0 HB2 LEU B 49 20.874 -1.162 12.878 1.00 25.41 H new ATOM 0 HB3 LEU B 49 20.391 0.523 12.880 1.00 25.41 H new ATOM 0 HG LEU B 49 22.526 -0.093 14.115 1.00 55.21 H new ATOM 0 HD11 LEU B 49 22.126 1.519 15.938 1.00 20.42 H new ATOM 0 HD12 LEU B 49 21.462 2.082 14.386 1.00 20.42 H new ATOM 0 HD13 LEU B 49 20.376 1.419 15.631 1.00 20.42 H new ATOM 0 HD21 LEU B 49 22.270 -0.877 16.450 1.00 31.54 H new ATOM 0 HD22 LEU B 49 20.531 -1.122 16.165 1.00 31.54 H new ATOM 0 HD23 LEU B 49 21.724 -2.094 15.272 1.00 31.54 H new ATOM 2728 N PHE B 50 17.934 1.378 13.966 1.00 74.53 N ATOM 2729 CA PHE B 50 17.160 2.487 14.518 1.00 13.24 C ATOM 2730 C PHE B 50 15.873 1.976 15.157 1.00 54.12 C ATOM 2731 O PHE B 50 15.513 2.392 16.253 1.00 20.22 O ATOM 2732 CB PHE B 50 16.825 3.511 13.426 1.00 14.34 C ATOM 2733 CG PHE B 50 15.862 4.587 13.876 1.00 61.31 C ATOM 2734 CD1 PHE B 50 16.298 5.653 14.647 1.00 53.13 C ATOM 2735 CD2 PHE B 50 14.521 4.535 13.519 1.00 53.22 C ATOM 2736 CE1 PHE B 50 15.420 6.641 15.056 1.00 14.14 C ATOM 2737 CE2 PHE B 50 13.640 5.518 13.924 1.00 22.12 C ATOM 2738 CZ PHE B 50 14.088 6.572 14.693 1.00 62.30 C ATOM 0 H PHE B 50 18.104 1.444 12.962 1.00 74.53 H new ATOM 0 HA PHE B 50 17.767 2.973 15.282 1.00 13.24 H new ATOM 0 HB2 PHE B 50 17.748 3.981 13.086 1.00 14.34 H new ATOM 0 HB3 PHE B 50 16.398 2.989 12.569 1.00 14.34 H new ATOM 0 HD1 PHE B 50 17.338 5.713 14.933 1.00 53.13 H new ATOM 0 HD2 PHE B 50 14.162 3.714 12.916 1.00 53.22 H new ATOM 0 HE1 PHE B 50 15.775 7.465 15.658 1.00 14.14 H new ATOM 0 HE2 PHE B 50 12.600 5.462 13.639 1.00 22.12 H new ATOM 0 HZ PHE B 50 13.400 7.341 15.011 1.00 62.30 H new ATOM 2748 N ALA B 51 15.184 1.081 14.454 1.00 24.13 N ATOM 2749 CA ALA B 51 13.933 0.502 14.938 1.00 31.22 C ATOM 2750 C ALA B 51 14.109 -0.093 16.330 1.00 63.22 C ATOM 2751 O ALA B 51 13.362 0.229 17.257 1.00 61.14 O ATOM 2752 CB ALA B 51 13.436 -0.565 13.970 1.00 4.33 C ATOM 0 H ALA B 51 15.474 0.738 13.538 1.00 24.13 H new ATOM 0 HA ALA B 51 13.192 1.299 14.999 1.00 31.22 H new ATOM 0 HB1 ALA B 51 12.503 -0.988 14.343 1.00 4.33 H new ATOM 0 HB2 ALA B 51 13.266 -0.117 12.991 1.00 4.33 H new ATOM 0 HB3 ALA B 51 14.183 -1.354 13.883 1.00 4.33 H new ATOM 2758 N ALA B 52 15.108 -0.958 16.465 1.00 2.41 N ATOM 2759 CA ALA B 52 15.411 -1.609 17.735 1.00 55.02 C ATOM 2760 C ALA B 52 15.743 -0.579 18.816 1.00 53.11 C ATOM 2761 O ALA B 52 15.173 -0.606 19.910 1.00 74.31 O ATOM 2762 CB ALA B 52 16.565 -2.592 17.556 1.00 43.35 C ATOM 0 H ALA B 52 15.728 -1.227 15.701 1.00 2.41 H new ATOM 0 HA ALA B 52 14.527 -2.158 18.060 1.00 55.02 H new ATOM 0 HB1 ALA B 52 16.784 -3.073 18.509 1.00 43.35 H new ATOM 0 HB2 ALA B 52 16.288 -3.349 16.823 1.00 43.35 H new ATOM 0 HB3 ALA B 52 17.448 -2.057 17.208 1.00 43.35 H new ATOM 2768 N GLY B 53 16.654 0.338 18.495 1.00 41.34 N ATOM 2769 CA GLY B 53 17.075 1.349 19.455 1.00 4.13 C ATOM 2770 C GLY B 53 15.940 2.264 19.878 1.00 15.42 C ATOM 2771 O GLY B 53 15.828 2.623 21.048 1.00 73.22 O ATOM 0 H GLY B 53 17.110 0.400 17.585 1.00 41.34 H new ATOM 0 HA2 GLY B 53 17.488 0.858 20.336 1.00 4.13 H new ATOM 0 HA3 GLY B 53 17.875 1.947 19.019 1.00 4.13 H new ATOM 2775 N TYR B 54 15.095 2.625 18.919 1.00 15.35 N ATOM 2776 CA TYR B 54 13.972 3.525 19.149 1.00 21.24 C ATOM 2777 C TYR B 54 12.900 2.840 19.993 1.00 2.44 C ATOM 2778 O TYR B 54 12.418 3.406 20.972 1.00 55.40 O ATOM 2779 CB TYR B 54 13.398 3.993 17.796 1.00 22.10 C ATOM 2780 CG TYR B 54 12.106 4.796 17.869 1.00 24.43 C ATOM 2781 CD1 TYR B 54 11.767 5.536 19.000 1.00 33.43 C ATOM 2782 CD2 TYR B 54 11.223 4.810 16.792 1.00 20.22 C ATOM 2783 CE1 TYR B 54 10.588 6.255 19.056 1.00 54.12 C ATOM 2784 CE2 TYR B 54 10.049 5.530 16.841 1.00 11.21 C ATOM 2785 CZ TYR B 54 9.734 6.250 17.973 1.00 15.31 C ATOM 2786 OH TYR B 54 8.556 6.960 18.029 1.00 73.14 O ATOM 0 H TYR B 54 15.170 2.300 17.955 1.00 15.35 H new ATOM 0 HA TYR B 54 14.320 4.398 19.701 1.00 21.24 H new ATOM 0 HB2 TYR B 54 14.152 4.598 17.292 1.00 22.10 H new ATOM 0 HB3 TYR B 54 13.224 3.116 17.173 1.00 22.10 H new ATOM 0 HD1 TYR B 54 12.437 5.548 19.847 1.00 33.43 H new ATOM 0 HD2 TYR B 54 11.463 4.246 15.902 1.00 20.22 H new ATOM 0 HE1 TYR B 54 10.337 6.818 19.943 1.00 54.12 H new ATOM 0 HE2 TYR B 54 9.378 5.530 15.995 1.00 11.21 H new ATOM 0 HH TYR B 54 7.834 6.427 17.636 1.00 73.14 H new ATOM 2796 N SER B 55 12.535 1.621 19.618 1.00 62.44 N ATOM 2797 CA SER B 55 11.509 0.881 20.346 1.00 11.44 C ATOM 2798 C SER B 55 11.959 0.632 21.789 1.00 45.34 C ATOM 2799 O SER B 55 11.172 0.766 22.727 1.00 23.33 O ATOM 2800 CB SER B 55 11.191 -0.436 19.628 1.00 71.55 C ATOM 2801 OG SER B 55 12.358 -1.219 19.436 1.00 22.42 O ATOM 0 H SER B 55 12.930 1.125 18.819 1.00 62.44 H new ATOM 0 HA SER B 55 10.596 1.476 20.375 1.00 11.44 H new ATOM 0 HB2 SER B 55 10.464 -1.002 20.210 1.00 71.55 H new ATOM 0 HB3 SER B 55 10.731 -0.223 18.663 1.00 71.55 H new ATOM 0 HG SER B 55 12.864 -0.871 18.672 1.00 22.42 H new ATOM 2807 N ALA B 56 13.239 0.293 21.956 1.00 72.32 N ATOM 2808 CA ALA B 56 13.824 0.125 23.284 1.00 72.14 C ATOM 2809 C ALA B 56 13.835 1.458 24.030 1.00 34.31 C ATOM 2810 O ALA B 56 13.458 1.530 25.198 1.00 51.54 O ATOM 2811 CB ALA B 56 15.235 -0.445 23.177 1.00 11.32 C ATOM 0 H ALA B 56 13.889 0.130 21.187 1.00 72.32 H new ATOM 0 HA ALA B 56 13.213 -0.580 23.848 1.00 72.14 H new ATOM 0 HB1 ALA B 56 15.656 -0.564 24.175 1.00 11.32 H new ATOM 0 HB2 ALA B 56 15.199 -1.415 22.681 1.00 11.32 H new ATOM 0 HB3 ALA B 56 15.860 0.236 22.598 1.00 11.32 H new ATOM 2817 N CYS B 57 14.249 2.514 23.332 1.00 24.02 N ATOM 2818 CA CYS B 57 14.267 3.865 23.892 1.00 54.22 C ATOM 2819 C CYS B 57 12.866 4.264 24.351 1.00 22.14 C ATOM 2820 O CYS B 57 12.702 4.943 25.364 1.00 1.03 O ATOM 2821 CB CYS B 57 14.802 4.876 22.866 1.00 72.40 C ATOM 2822 SG CYS B 57 14.887 6.582 23.466 1.00 42.35 S ATOM 0 H CYS B 57 14.579 2.459 22.369 1.00 24.02 H new ATOM 0 HA CYS B 57 14.935 3.870 24.753 1.00 54.22 H new ATOM 0 HB2 CYS B 57 15.799 4.564 22.553 1.00 72.40 H new ATOM 0 HB3 CYS B 57 14.167 4.847 21.981 1.00 72.40 H new ATOM 0 HG CYS B 57 15.352 7.350 22.526 1.00 42.35 H new ATOM 2828 N PHE B 58 11.855 3.833 23.595 1.00 34.03 N ATOM 2829 CA PHE B 58 10.469 4.147 23.914 1.00 42.11 C ATOM 2830 C PHE B 58 10.086 3.506 25.249 1.00 1.15 C ATOM 2831 O PHE B 58 9.290 4.056 26.014 1.00 52.32 O ATOM 2832 CB PHE B 58 9.545 3.658 22.787 1.00 13.13 C ATOM 2833 CG PHE B 58 8.197 4.338 22.764 1.00 50.11 C ATOM 2834 CD1 PHE B 58 7.089 3.760 23.370 1.00 2.44 C ATOM 2835 CD2 PHE B 58 8.045 5.564 22.131 1.00 25.34 C ATOM 2836 CE1 PHE B 58 5.858 4.392 23.343 1.00 5.05 C ATOM 2837 CE2 PHE B 58 6.819 6.199 22.101 1.00 25.32 C ATOM 2838 CZ PHE B 58 5.724 5.613 22.709 1.00 52.03 C ATOM 0 H PHE B 58 11.975 3.265 22.757 1.00 34.03 H new ATOM 0 HA PHE B 58 10.355 5.227 24.004 1.00 42.11 H new ATOM 0 HB2 PHE B 58 10.039 3.820 21.829 1.00 13.13 H new ATOM 0 HB3 PHE B 58 9.397 2.583 22.892 1.00 13.13 H new ATOM 0 HD1 PHE B 58 7.189 2.807 23.868 1.00 2.44 H new ATOM 0 HD2 PHE B 58 8.897 6.027 21.656 1.00 25.34 H new ATOM 0 HE1 PHE B 58 5.003 3.932 23.817 1.00 5.05 H new ATOM 0 HE2 PHE B 58 6.716 7.152 21.603 1.00 25.32 H new ATOM 0 HZ PHE B 58 4.765 6.109 22.689 1.00 52.03 H new ATOM 2848 N LEU B 59 10.676 2.346 25.523 1.00 60.43 N ATOM 2849 CA LEU B 59 10.483 1.658 26.796 1.00 11.12 C ATOM 2850 C LEU B 59 11.152 2.445 27.922 1.00 60.54 C ATOM 2851 O LEU B 59 10.559 2.659 28.980 1.00 64.41 O ATOM 2852 CB LEU B 59 11.057 0.233 26.725 1.00 33.41 C ATOM 2853 CG LEU B 59 10.367 -0.701 25.714 1.00 23.42 C ATOM 2854 CD1 LEU B 59 11.121 -2.023 25.594 1.00 12.45 C ATOM 2855 CD2 LEU B 59 8.913 -0.947 26.116 1.00 24.24 C ATOM 0 H LEU B 59 11.296 1.860 24.875 1.00 60.43 H new ATOM 0 HA LEU B 59 9.415 1.590 27.001 1.00 11.12 H new ATOM 0 HB2 LEU B 59 12.116 0.297 26.473 1.00 33.41 H new ATOM 0 HB3 LEU B 59 10.992 -0.218 27.715 1.00 33.41 H new ATOM 0 HG LEU B 59 10.378 -0.214 24.739 1.00 23.42 H new ATOM 0 HD11 LEU B 59 10.615 -2.666 24.874 1.00 12.45 H new ATOM 0 HD12 LEU B 59 12.140 -1.832 25.256 1.00 12.45 H new ATOM 0 HD13 LEU B 59 11.148 -2.516 26.566 1.00 12.45 H new ATOM 0 HD21 LEU B 59 8.442 -1.609 25.390 1.00 24.24 H new ATOM 0 HD22 LEU B 59 8.882 -1.409 27.103 1.00 24.24 H new ATOM 0 HD23 LEU B 59 8.377 0.002 26.143 1.00 24.24 H new ATOM 2867 N SER B 60 12.386 2.881 27.677 1.00 44.21 N ATOM 2868 CA SER B 60 13.121 3.707 28.632 1.00 2.40 C ATOM 2869 C SER B 60 12.370 5.019 28.894 1.00 73.23 C ATOM 2870 O SER B 60 12.372 5.540 30.013 1.00 65.55 O ATOM 2871 CB SER B 60 14.531 3.995 28.097 1.00 63.24 C ATOM 2872 OG SER B 60 15.189 2.795 27.727 1.00 24.13 O ATOM 0 H SER B 60 12.900 2.674 26.820 1.00 44.21 H new ATOM 0 HA SER B 60 13.205 3.166 29.574 1.00 2.40 H new ATOM 0 HB2 SER B 60 14.468 4.660 27.236 1.00 63.24 H new ATOM 0 HB3 SER B 60 15.114 4.514 28.858 1.00 63.24 H new ATOM 0 HG SER B 60 15.826 2.542 28.427 1.00 24.13 H new ATOM 2878 N ALA B 61 11.723 5.540 27.851 1.00 21.42 N ATOM 2879 CA ALA B 61 10.909 6.746 27.965 1.00 31.00 C ATOM 2880 C ALA B 61 9.707 6.485 28.867 1.00 42.41 C ATOM 2881 O ALA B 61 9.398 7.285 29.747 1.00 44.10 O ATOM 2882 CB ALA B 61 10.456 7.219 26.587 1.00 4.34 C ATOM 0 H ALA B 61 11.749 5.141 26.913 1.00 21.42 H new ATOM 0 HA ALA B 61 11.514 7.535 28.412 1.00 31.00 H new ATOM 0 HB1 ALA B 61 9.850 8.119 26.692 1.00 4.34 H new ATOM 0 HB2 ALA B 61 11.329 7.439 25.973 1.00 4.34 H new ATOM 0 HB3 ALA B 61 9.864 6.437 26.110 1.00 4.34 H new ATOM 2888 N MET B 62 9.041 5.354 28.640 1.00 64.12 N ATOM 2889 CA MET B 62 7.942 4.900 29.498 1.00 62.41 C ATOM 2890 C MET B 62 8.394 4.861 30.958 1.00 51.11 C ATOM 2891 O MET B 62 7.758 5.429 31.849 1.00 53.32 O ATOM 2892 CB MET B 62 7.474 3.502 29.033 1.00 4.11 C ATOM 2893 CG MET B 62 6.722 2.690 30.085 1.00 71.00 C ATOM 2894 SD MET B 62 7.810 2.004 31.362 1.00 51.43 S ATOM 2895 CE MET B 62 7.011 2.553 32.872 1.00 33.40 C ATOM 0 H MET B 62 9.245 4.728 27.861 1.00 64.12 H new ATOM 0 HA MET B 62 7.108 5.597 29.420 1.00 62.41 H new ATOM 0 HB2 MET B 62 6.831 3.622 28.161 1.00 4.11 H new ATOM 0 HB3 MET B 62 8.346 2.932 28.711 1.00 4.11 H new ATOM 0 HG2 MET B 62 5.972 3.324 30.557 1.00 71.00 H new ATOM 0 HG3 MET B 62 6.188 1.876 29.594 1.00 71.00 H new ATOM 0 HE1 MET B 62 7.761 2.692 33.651 1.00 33.40 H new ATOM 0 HE2 MET B 62 6.498 3.497 32.690 1.00 33.40 H new ATOM 0 HE3 MET B 62 6.288 1.804 33.194 1.00 33.40 H new ATOM 2905 N LYS B 63 9.496 4.167 31.167 1.00 72.03 N ATOM 2906 CA LYS B 63 10.131 4.010 32.473 1.00 43.00 C ATOM 2907 C LYS B 63 10.381 5.364 33.140 1.00 70.35 C ATOM 2908 O LYS B 63 9.989 5.577 34.293 1.00 23.43 O ATOM 2909 CB LYS B 63 11.461 3.258 32.304 1.00 31.31 C ATOM 2910 CG LYS B 63 12.104 2.796 33.608 1.00 20.13 C ATOM 2911 CD LYS B 63 11.306 1.675 34.272 1.00 10.22 C ATOM 2912 CE LYS B 63 12.036 1.098 35.478 1.00 1.23 C ATOM 2913 NZ LYS B 63 12.227 2.108 36.551 1.00 55.13 N1+ ATOM 0 H LYS B 63 9.991 3.682 30.418 1.00 72.03 H new ATOM 0 HA LYS B 63 9.459 3.441 33.116 1.00 43.00 H new ATOM 0 HB2 LYS B 63 11.292 2.388 31.670 1.00 31.31 H new ATOM 0 HB3 LYS B 63 12.163 3.904 31.778 1.00 31.31 H new ATOM 0 HG2 LYS B 63 13.119 2.451 33.410 1.00 20.13 H new ATOM 0 HG3 LYS B 63 12.183 3.640 34.293 1.00 20.13 H new ATOM 0 HD2 LYS B 63 10.334 2.057 34.584 1.00 10.22 H new ATOM 0 HD3 LYS B 63 11.120 0.883 33.547 1.00 10.22 H new ATOM 0 HE2 LYS B 63 11.472 0.253 35.872 1.00 1.23 H new ATOM 0 HE3 LYS B 63 13.007 0.715 35.164 1.00 1.23 H new ATOM 0 HZ1 LYS B 63 12.667 1.657 37.378 1.00 55.13 H new ATOM 0 HZ2 LYS B 63 12.844 2.870 36.204 1.00 55.13 H new ATOM 0 HZ3 LYS B 63 11.305 2.505 36.822 1.00 55.13 H new ATOM 2927 N PHE B 64 11.027 6.275 32.413 1.00 21.33 N ATOM 2928 CA PHE B 64 11.323 7.605 32.943 1.00 32.24 C ATOM 2929 C PHE B 64 10.026 8.349 33.249 1.00 14.21 C ATOM 2930 O PHE B 64 9.893 8.980 34.299 1.00 73.11 O ATOM 2931 CB PHE B 64 12.183 8.416 31.963 1.00 30.41 C ATOM 2932 CG PHE B 64 12.596 9.760 32.515 1.00 63.34 C ATOM 2933 CD1 PHE B 64 13.522 9.839 33.545 1.00 43.42 C ATOM 2934 CD2 PHE B 64 12.055 10.937 32.015 1.00 31.33 C ATOM 2935 CE1 PHE B 64 13.898 11.061 34.066 1.00 55.11 C ATOM 2936 CE2 PHE B 64 12.430 12.162 32.533 1.00 33.41 C ATOM 2937 CZ PHE B 64 13.352 12.223 33.559 1.00 14.04 C ATOM 0 H PHE B 64 11.354 6.117 31.460 1.00 21.33 H new ATOM 0 HA PHE B 64 11.890 7.483 33.866 1.00 32.24 H new ATOM 0 HB2 PHE B 64 13.075 7.843 31.711 1.00 30.41 H new ATOM 0 HB3 PHE B 64 11.627 8.565 31.037 1.00 30.41 H new ATOM 0 HD1 PHE B 64 13.954 8.933 33.944 1.00 43.42 H new ATOM 0 HD2 PHE B 64 11.333 10.895 31.213 1.00 31.33 H new ATOM 0 HE1 PHE B 64 14.618 11.108 34.869 1.00 55.11 H new ATOM 0 HE2 PHE B 64 12.002 13.071 32.136 1.00 33.41 H new ATOM 0 HZ PHE B 64 13.646 13.180 33.965 1.00 14.04 H new ATOM 2947 N VAL B 65 9.071 8.247 32.329 1.00 75.05 N ATOM 2948 CA VAL B 65 7.742 8.823 32.509 1.00 40.30 C ATOM 2949 C VAL B 65 7.157 8.402 33.848 1.00 43.44 C ATOM 2950 O VAL B 65 6.748 9.236 34.661 1.00 35.52 O ATOM 2951 CB VAL B 65 6.778 8.369 31.383 1.00 54.45 C ATOM 2952 CG1 VAL B 65 5.330 8.387 31.865 1.00 70.43 C ATOM 2953 CG2 VAL B 65 6.955 9.233 30.133 1.00 51.21 C ATOM 0 H VAL B 65 9.196 7.764 31.439 1.00 75.05 H new ATOM 0 HA VAL B 65 7.850 9.907 32.474 1.00 40.30 H new ATOM 0 HB VAL B 65 7.028 7.342 31.117 1.00 54.45 H new ATOM 0 HG11 VAL B 65 4.673 8.065 31.057 1.00 70.43 H new ATOM 0 HG12 VAL B 65 5.220 7.711 32.713 1.00 70.43 H new ATOM 0 HG13 VAL B 65 5.061 9.398 32.170 1.00 70.43 H new ATOM 0 HG21 VAL B 65 6.268 8.895 29.357 1.00 51.21 H new ATOM 0 HG22 VAL B 65 6.743 10.274 30.377 1.00 51.21 H new ATOM 0 HG23 VAL B 65 7.980 9.146 29.773 1.00 51.21 H new ATOM 2963 N ALA B 66 7.123 7.101 34.072 1.00 30.22 N ATOM 2964 CA ALA B 66 6.564 6.561 35.292 1.00 74.13 C ATOM 2965 C ALA B 66 7.370 7.049 36.488 1.00 44.35 C ATOM 2966 O ALA B 66 6.828 7.305 37.565 1.00 34.23 O ATOM 2967 CB ALA B 66 6.534 5.039 35.233 1.00 23.44 C ATOM 0 H ALA B 66 7.477 6.400 33.422 1.00 30.22 H new ATOM 0 HA ALA B 66 5.538 6.911 35.403 1.00 74.13 H new ATOM 0 HB1 ALA B 66 6.111 4.647 36.158 1.00 23.44 H new ATOM 0 HB2 ALA B 66 5.921 4.720 34.390 1.00 23.44 H new ATOM 0 HB3 ALA B 66 7.548 4.660 35.109 1.00 23.44 H new ATOM 2973 N GLY B 67 8.664 7.228 36.254 1.00 23.35 N ATOM 2974 CA GLY B 67 9.576 7.652 37.296 1.00 73.24 C ATOM 2975 C GLY B 67 9.366 9.097 37.703 1.00 45.13 C ATOM 2976 O GLY B 67 9.631 9.465 38.850 1.00 75.04 O ATOM 0 H GLY B 67 9.103 7.084 35.344 1.00 23.35 H new ATOM 0 HA2 GLY B 67 9.449 7.011 38.168 1.00 73.24 H new ATOM 0 HA3 GLY B 67 10.602 7.521 36.951 1.00 73.24 H new ATOM 2980 N GLN B 68 8.869 9.919 36.776 1.00 2.12 N ATOM 2981 CA GLN B 68 8.672 11.342 37.052 1.00 44.13 C ATOM 2982 C GLN B 68 7.228 11.592 37.470 1.00 40.32 C ATOM 2983 O GLN B 68 6.922 12.570 38.152 1.00 64.50 O ATOM 2984 CB GLN B 68 9.026 12.201 35.825 1.00 33.05 C ATOM 2985 CG GLN B 68 8.279 11.806 34.556 1.00 52.44 C ATOM 2986 CD GLN B 68 8.369 12.844 33.446 1.00 54.32 C ATOM 2987 OE1 GLN B 68 8.340 12.506 32.262 1.00 53.51 O ATOM 2988 NE2 GLN B 68 8.454 14.116 33.814 1.00 53.21 N ATOM 0 H GLN B 68 8.598 9.627 35.837 1.00 2.12 H new ATOM 0 HA GLN B 68 9.338 11.628 37.866 1.00 44.13 H new ATOM 0 HB2 GLN B 68 8.811 13.245 36.051 1.00 33.05 H new ATOM 0 HB3 GLN B 68 10.098 12.129 35.641 1.00 33.05 H new ATOM 0 HG2 GLN B 68 8.677 10.860 34.190 1.00 52.44 H new ATOM 0 HG3 GLN B 68 7.230 11.637 34.800 1.00 52.44 H new ATOM 0 HE21 GLN B 68 8.476 14.360 34.804 1.00 53.21 H new ATOM 0 HE22 GLN B 68 8.498 14.850 33.107 1.00 53.21 H new ATOM 2997 N ASN B 69 6.352 10.679 37.068 1.00 21.43 N ATOM 2998 CA ASN B 69 4.925 10.770 37.369 1.00 41.54 C ATOM 2999 C ASN B 69 4.574 9.983 38.631 1.00 23.00 C ATOM 3000 O ASN B 69 3.404 9.876 38.996 1.00 34.41 O ATOM 3001 CB ASN B 69 4.107 10.255 36.179 1.00 65.13 C ATOM 3002 CG ASN B 69 3.923 11.303 35.093 1.00 21.52 C ATOM 3003 OD1 ASN B 69 2.958 12.070 35.106 1.00 65.21 O ATOM 3004 ND2 ASN B 69 4.846 11.343 34.144 1.00 45.52 N ATOM 0 H ASN B 69 6.609 9.855 36.525 1.00 21.43 H new ATOM 0 HA ASN B 69 4.680 11.817 37.548 1.00 41.54 H new ATOM 0 HB2 ASN B 69 4.602 9.382 35.755 1.00 65.13 H new ATOM 0 HB3 ASN B 69 3.129 9.927 36.531 1.00 65.13 H new ATOM 0 HD21 ASN B 69 4.773 12.025 33.390 1.00 45.52 H new ATOM 0 HD22 ASN B 69 5.630 10.691 34.168 1.00 45.52 H new ATOM 3011 N LYS B 70 5.596 9.420 39.277 1.00 4.22 N ATOM 3012 CA LYS B 70 5.432 8.700 40.550 1.00 71.04 C ATOM 3013 C LYS B 70 4.475 7.515 40.386 1.00 55.13 C ATOM 3014 O LYS B 70 3.811 7.093 41.334 1.00 71.33 O ATOM 3015 CB LYS B 70 4.923 9.644 41.658 1.00 43.15 C ATOM 3016 CG LYS B 70 5.996 10.556 42.259 1.00 61.50 C ATOM 3017 CD LYS B 70 6.797 11.286 41.185 1.00 21.25 C ATOM 3018 CE LYS B 70 7.471 12.542 41.727 1.00 20.34 C ATOM 3019 NZ LYS B 70 8.125 13.336 40.653 1.00 73.12 N1+ ATOM 0 H LYS B 70 6.558 9.447 38.938 1.00 4.22 H new ATOM 0 HA LYS B 70 6.410 8.320 40.844 1.00 71.04 H new ATOM 0 HB2 LYS B 70 4.124 10.264 41.251 1.00 43.15 H new ATOM 0 HB3 LYS B 70 4.486 9.044 42.456 1.00 43.15 H new ATOM 0 HG2 LYS B 70 5.524 11.286 42.917 1.00 61.50 H new ATOM 0 HG3 LYS B 70 6.672 9.963 42.874 1.00 61.50 H new ATOM 0 HD2 LYS B 70 7.554 10.615 40.779 1.00 21.25 H new ATOM 0 HD3 LYS B 70 6.136 11.556 40.361 1.00 21.25 H new ATOM 0 HE2 LYS B 70 6.730 13.160 42.234 1.00 20.34 H new ATOM 0 HE3 LYS B 70 8.215 12.260 42.473 1.00 20.34 H new ATOM 0 HZ1 LYS B 70 7.982 14.350 40.835 1.00 73.12 H new ATOM 0 HZ2 LYS B 70 9.144 13.127 40.638 1.00 73.12 H new ATOM 0 HZ3 LYS B 70 7.707 13.087 39.734 1.00 73.12 H new ATOM 3033 N GLN B 71 4.440 6.969 39.180 1.00 41.03 N ATOM 3034 CA GLN B 71 3.506 5.906 38.824 1.00 14.44 C ATOM 3035 C GLN B 71 4.261 4.690 38.296 1.00 73.31 C ATOM 3036 O GLN B 71 5.468 4.755 38.056 1.00 34.15 O ATOM 3037 CB GLN B 71 2.521 6.396 37.763 1.00 1.40 C ATOM 3038 CG GLN B 71 3.221 6.917 36.522 1.00 33.32 C ATOM 3039 CD GLN B 71 2.455 6.669 35.246 1.00 34.04 C ATOM 3040 OE1 GLN B 71 3.195 6.338 34.209 1.00 74.24 O flip ATOM 3041 NE2 GLN B 71 1.226 6.722 35.209 1.00 0.43 N flip ATOM 0 H GLN B 71 5.058 7.249 38.418 1.00 41.03 H new ATOM 0 HA GLN B 71 2.954 5.622 39.720 1.00 14.44 H new ATOM 0 HB2 GLN B 71 1.854 5.580 37.485 1.00 1.40 H new ATOM 0 HB3 GLN B 71 1.899 7.186 38.185 1.00 1.40 H new ATOM 0 HG2 GLN B 71 3.389 7.988 36.633 1.00 33.32 H new ATOM 0 HG3 GLN B 71 4.202 6.447 36.444 1.00 33.32 H new ATOM 0 HE21 GLN B 71 0.702 6.985 36.043 1.00 0.43 H new ATOM 0 HE22 GLN B 71 0.732 6.503 34.344 1.00 0.43 H new ATOM 3050 N THR B 72 3.552 3.582 38.132 1.00 1.35 N ATOM 3051 CA THR B 72 4.129 2.374 37.557 1.00 51.41 C ATOM 3052 C THR B 72 3.268 1.854 36.408 1.00 74.12 C ATOM 3053 O THR B 72 2.056 1.683 36.556 1.00 25.05 O ATOM 3054 CB THR B 72 4.292 1.268 38.622 1.00 13.02 C ATOM 3055 OG1 THR B 72 3.093 1.162 39.405 1.00 4.22 O ATOM 3056 CG2 THR B 72 5.481 1.553 39.532 1.00 71.50 C ATOM 0 H THR B 72 2.569 3.494 38.391 1.00 1.35 H new ATOM 0 HA THR B 72 5.115 2.637 37.174 1.00 51.41 H new ATOM 0 HB THR B 72 4.474 0.325 38.107 1.00 13.02 H new ATOM 0 HG1 THR B 72 2.312 1.252 38.821 1.00 4.22 H new ATOM 0 HG21 THR B 72 5.572 0.758 40.272 1.00 71.50 H new ATOM 0 HG22 THR B 72 6.392 1.600 38.936 1.00 71.50 H new ATOM 0 HG23 THR B 72 5.330 2.506 40.040 1.00 71.50 H new ATOM 3064 N LEU B 73 3.903 1.619 35.266 1.00 74.12 N ATOM 3065 CA LEU B 73 3.232 1.067 34.090 1.00 52.35 C ATOM 3066 C LEU B 73 3.584 -0.420 33.972 1.00 64.24 C ATOM 3067 O LEU B 73 4.621 -0.842 34.488 1.00 14.14 O ATOM 3068 CB LEU B 73 3.672 1.839 32.831 1.00 75.15 C ATOM 3069 CG LEU B 73 3.458 3.364 32.900 1.00 62.34 C ATOM 3070 CD1 LEU B 73 4.182 4.092 31.759 1.00 33.12 C ATOM 3071 CD2 LEU B 73 1.965 3.690 32.888 1.00 51.14 C ATOM 0 H LEU B 73 4.896 1.805 35.127 1.00 74.12 H new ATOM 0 HA LEU B 73 2.151 1.169 34.190 1.00 52.35 H new ATOM 0 HB2 LEU B 73 4.729 1.642 32.652 1.00 75.15 H new ATOM 0 HB3 LEU B 73 3.126 1.448 31.973 1.00 75.15 H new ATOM 0 HG LEU B 73 3.889 3.719 33.836 1.00 62.34 H new ATOM 0 HD11 LEU B 73 4.007 5.165 31.843 1.00 33.12 H new ATOM 0 HD12 LEU B 73 5.252 3.893 31.822 1.00 33.12 H new ATOM 0 HD13 LEU B 73 3.802 3.736 30.801 1.00 33.12 H new ATOM 0 HD21 LEU B 73 1.828 4.770 32.937 1.00 51.14 H new ATOM 0 HD22 LEU B 73 1.517 3.309 31.971 1.00 51.14 H new ATOM 0 HD23 LEU B 73 1.484 3.224 33.748 1.00 51.14 H new ATOM 3083 N PRO B 74 2.732 -1.235 33.318 1.00 22.31 N ATOM 3084 CA PRO B 74 2.964 -2.683 33.195 1.00 33.15 C ATOM 3085 C PRO B 74 4.322 -3.003 32.571 1.00 51.21 C ATOM 3086 O PRO B 74 4.512 -2.843 31.365 1.00 62.01 O ATOM 3087 CB PRO B 74 1.833 -3.162 32.278 1.00 23.12 C ATOM 3088 CG PRO B 74 0.770 -2.119 32.399 1.00 12.13 C ATOM 3089 CD PRO B 74 1.488 -0.817 32.644 1.00 51.43 C ATOM 0 HA PRO B 74 2.971 -3.171 34.170 1.00 33.15 H new ATOM 0 HB2 PRO B 74 2.175 -3.260 31.248 1.00 23.12 H new ATOM 0 HB3 PRO B 74 1.463 -4.140 32.585 1.00 23.12 H new ATOM 0 HG2 PRO B 74 0.169 -2.068 31.491 1.00 12.13 H new ATOM 0 HG3 PRO B 74 0.090 -2.349 33.219 1.00 12.13 H new ATOM 0 HD2 PRO B 74 1.693 -0.290 31.712 1.00 51.43 H new ATOM 0 HD3 PRO B 74 0.899 -0.144 33.268 1.00 51.43 H new ATOM 3097 N ALA B 75 5.258 -3.454 33.397 1.00 24.41 N ATOM 3098 CA ALA B 75 6.621 -3.742 32.948 1.00 71.53 C ATOM 3099 C ALA B 75 6.703 -5.067 32.186 1.00 71.01 C ATOM 3100 O ALA B 75 7.751 -5.413 31.634 1.00 12.42 O ATOM 3101 CB ALA B 75 7.577 -3.746 34.138 1.00 50.55 C ATOM 0 H ALA B 75 5.099 -3.630 34.389 1.00 24.41 H new ATOM 0 HA ALA B 75 6.916 -2.953 32.256 1.00 71.53 H new ATOM 0 HB1 ALA B 75 8.588 -3.961 33.792 1.00 50.55 H new ATOM 0 HB2 ALA B 75 7.559 -2.770 34.622 1.00 50.55 H new ATOM 0 HB3 ALA B 75 7.267 -4.510 34.851 1.00 50.55 H new ATOM 3107 N ASP B 76 5.594 -5.800 32.138 1.00 24.20 N ATOM 3108 CA ASP B 76 5.558 -7.107 31.468 1.00 60.22 C ATOM 3109 C ASP B 76 5.235 -6.933 29.982 1.00 14.12 C ATOM 3110 O ASP B 76 4.906 -7.885 29.275 1.00 34.13 O ATOM 3111 CB ASP B 76 4.519 -8.013 32.146 1.00 21.51 C ATOM 3112 CG ASP B 76 4.621 -9.464 31.700 1.00 33.51 C ATOM 3113 OD1 ASP B 76 3.714 -9.945 30.988 1.00 23.44 O ATOM 3114 OD2 ASP B 76 5.611 -10.136 32.068 1.00 41.11 O1- ATOM 0 H ASP B 76 4.707 -5.516 32.553 1.00 24.20 H new ATOM 0 HA ASP B 76 6.538 -7.577 31.551 1.00 60.22 H new ATOM 0 HB2 ASP B 76 4.648 -7.960 33.227 1.00 21.51 H new ATOM 0 HB3 ASP B 76 3.519 -7.639 31.926 1.00 21.51 H new ATOM 3119 N THR B 77 5.349 -5.697 29.519 1.00 44.41 N ATOM 3120 CA THR B 77 5.021 -5.337 28.149 1.00 1.21 C ATOM 3121 C THR B 77 6.136 -5.724 27.170 1.00 31.44 C ATOM 3122 O THR B 77 7.238 -6.116 27.576 1.00 72.52 O ATOM 3123 CB THR B 77 4.739 -3.819 28.054 1.00 44.03 C ATOM 3124 OG1 THR B 77 4.540 -3.419 26.694 1.00 73.25 O ATOM 3125 CG2 THR B 77 5.877 -3.000 28.656 1.00 30.02 C ATOM 0 H THR B 77 5.673 -4.913 30.086 1.00 44.41 H new ATOM 0 HA THR B 77 4.128 -5.895 27.868 1.00 1.21 H new ATOM 0 HB THR B 77 3.829 -3.629 28.624 1.00 44.03 H new ATOM 0 HG1 THR B 77 3.733 -3.849 26.341 1.00 73.25 H new ATOM 0 HG21 THR B 77 5.645 -1.938 28.572 1.00 30.02 H new ATOM 0 HG22 THR B 77 5.998 -3.263 29.707 1.00 30.02 H new ATOM 0 HG23 THR B 77 6.802 -3.213 28.120 1.00 30.02 H new ATOM 3133 N THR B 78 5.827 -5.628 25.878 1.00 70.31 N ATOM 3134 CA THR B 78 6.787 -5.897 24.810 1.00 64.53 C ATOM 3135 C THR B 78 6.435 -5.045 23.583 1.00 71.23 C ATOM 3136 O THR B 78 5.264 -4.742 23.347 1.00 64.44 O ATOM 3137 CB THR B 78 6.781 -7.397 24.411 1.00 53.44 C ATOM 3138 OG1 THR B 78 6.909 -8.225 25.581 1.00 34.22 O ATOM 3139 CG2 THR B 78 7.914 -7.723 23.439 1.00 23.30 C ATOM 0 H THR B 78 4.902 -5.361 25.542 1.00 70.31 H new ATOM 0 HA THR B 78 7.783 -5.643 25.174 1.00 64.53 H new ATOM 0 HB THR B 78 5.831 -7.599 23.917 1.00 53.44 H new ATOM 0 HG1 THR B 78 6.902 -9.169 25.316 1.00 34.22 H new ATOM 0 HG21 THR B 78 7.879 -8.782 23.181 1.00 23.30 H new ATOM 0 HG22 THR B 78 7.801 -7.125 22.534 1.00 23.30 H new ATOM 0 HG23 THR B 78 8.872 -7.495 23.907 1.00 23.30 H new ATOM 3147 N VAL B 79 7.447 -4.666 22.810 1.00 22.45 N ATOM 3148 CA VAL B 79 7.261 -3.859 21.606 1.00 23.02 C ATOM 3149 C VAL B 79 7.885 -4.572 20.408 1.00 31.21 C ATOM 3150 O VAL B 79 8.864 -5.303 20.558 1.00 14.34 O ATOM 3151 CB VAL B 79 7.909 -2.453 21.768 1.00 21.11 C ATOM 3152 CG1 VAL B 79 7.762 -1.614 20.497 1.00 1.41 C ATOM 3153 CG2 VAL B 79 7.309 -1.719 22.970 1.00 54.24 C ATOM 0 H VAL B 79 8.420 -4.909 22.999 1.00 22.45 H new ATOM 0 HA VAL B 79 6.191 -3.729 21.445 1.00 23.02 H new ATOM 0 HB VAL B 79 8.975 -2.600 21.944 1.00 21.11 H new ATOM 0 HG11 VAL B 79 8.226 -0.640 20.649 1.00 1.41 H new ATOM 0 HG12 VAL B 79 8.250 -2.123 19.666 1.00 1.41 H new ATOM 0 HG13 VAL B 79 6.704 -1.480 20.269 1.00 1.41 H new ATOM 0 HG21 VAL B 79 7.775 -0.738 23.067 1.00 54.24 H new ATOM 0 HG22 VAL B 79 6.236 -1.598 22.824 1.00 54.24 H new ATOM 0 HG23 VAL B 79 7.489 -2.297 23.876 1.00 54.24 H new ATOM 3163 N THR B 80 7.300 -4.404 19.227 1.00 72.42 N ATOM 3164 CA THR B 80 7.894 -4.927 18.007 1.00 23.21 C ATOM 3165 C THR B 80 7.908 -3.851 16.920 1.00 63.22 C ATOM 3166 O THR B 80 6.856 -3.426 16.437 1.00 42.43 O ATOM 3167 CB THR B 80 7.140 -6.182 17.508 1.00 22.40 C ATOM 3168 OG1 THR B 80 7.050 -7.143 18.570 1.00 71.34 O ATOM 3169 CG2 THR B 80 7.850 -6.815 16.313 1.00 64.25 C ATOM 0 H THR B 80 6.418 -3.911 19.091 1.00 72.42 H new ATOM 0 HA THR B 80 8.920 -5.218 18.232 1.00 23.21 H new ATOM 0 HB THR B 80 6.142 -5.876 17.194 1.00 22.40 H new ATOM 0 HG1 THR B 80 6.571 -7.937 18.253 1.00 71.34 H new ATOM 0 HG21 THR B 80 7.296 -7.695 15.985 1.00 64.25 H new ATOM 0 HG22 THR B 80 7.902 -6.094 15.497 1.00 64.25 H new ATOM 0 HG23 THR B 80 8.859 -7.109 16.603 1.00 64.25 H new ATOM 3177 N ALA B 81 9.106 -3.393 16.572 1.00 41.34 N ATOM 3178 CA ALA B 81 9.287 -2.375 15.544 1.00 73.43 C ATOM 3179 C ALA B 81 9.583 -3.030 14.198 1.00 13.31 C ATOM 3180 O ALA B 81 10.689 -3.526 13.969 1.00 32.14 O ATOM 3181 CB ALA B 81 10.416 -1.428 15.939 1.00 31.52 C ATOM 0 H ALA B 81 9.977 -3.716 16.994 1.00 41.34 H new ATOM 0 HA ALA B 81 8.366 -1.799 15.451 1.00 73.43 H new ATOM 0 HB1 ALA B 81 10.544 -0.671 15.165 1.00 31.52 H new ATOM 0 HB2 ALA B 81 10.170 -0.943 16.884 1.00 31.52 H new ATOM 0 HB3 ALA B 81 11.342 -1.992 16.051 1.00 31.52 H new ATOM 3187 N GLU B 82 8.591 -3.046 13.320 1.00 50.12 N ATOM 3188 CA GLU B 82 8.742 -3.648 12.001 1.00 53.10 C ATOM 3189 C GLU B 82 8.910 -2.556 10.949 1.00 51.21 C ATOM 3190 O GLU B 82 7.967 -1.824 10.646 1.00 13.21 O ATOM 3191 CB GLU B 82 7.530 -4.535 11.682 1.00 51.24 C ATOM 3192 CG GLU B 82 7.684 -5.355 10.404 1.00 31.41 C ATOM 3193 CD GLU B 82 6.541 -6.337 10.198 1.00 63.34 C ATOM 3194 OE1 GLU B 82 5.604 -6.026 9.431 1.00 35.34 O ATOM 3195 OE2 GLU B 82 6.562 -7.418 10.825 1.00 71.23 O1- ATOM 0 H GLU B 82 7.669 -2.648 13.497 1.00 50.12 H new ATOM 0 HA GLU B 82 9.633 -4.275 11.992 1.00 53.10 H new ATOM 0 HB2 GLU B 82 7.358 -5.212 12.518 1.00 51.24 H new ATOM 0 HB3 GLU B 82 6.644 -3.906 11.594 1.00 51.24 H new ATOM 0 HG2 GLU B 82 7.738 -4.681 9.549 1.00 31.41 H new ATOM 0 HG3 GLU B 82 8.626 -5.902 10.439 1.00 31.41 H new ATOM 3202 N VAL B 83 10.114 -2.445 10.400 1.00 40.31 N ATOM 3203 CA VAL B 83 10.432 -1.383 9.450 1.00 71.44 C ATOM 3204 C VAL B 83 10.485 -1.921 8.026 1.00 35.11 C ATOM 3205 O VAL B 83 10.919 -3.048 7.793 1.00 1.44 O ATOM 3206 CB VAL B 83 11.778 -0.696 9.790 1.00 65.23 C ATOM 3207 CG1 VAL B 83 11.666 0.092 11.093 1.00 71.22 C ATOM 3208 CG2 VAL B 83 12.906 -1.724 9.871 1.00 51.35 C ATOM 0 H VAL B 83 10.889 -3.079 10.596 1.00 40.31 H new ATOM 0 HA VAL B 83 9.635 -0.643 9.525 1.00 71.44 H new ATOM 0 HB VAL B 83 12.016 0.004 8.989 1.00 65.23 H new ATOM 0 HG11 VAL B 83 12.622 0.567 11.314 1.00 71.22 H new ATOM 0 HG12 VAL B 83 10.896 0.857 10.991 1.00 71.22 H new ATOM 0 HG13 VAL B 83 11.400 -0.584 11.905 1.00 71.22 H new ATOM 0 HG21 VAL B 83 13.842 -1.219 10.111 1.00 51.35 H new ATOM 0 HG22 VAL B 83 12.678 -2.454 10.648 1.00 51.35 H new ATOM 0 HG23 VAL B 83 13.004 -2.233 8.912 1.00 51.35 H new ATOM 3218 N GLY B 84 10.020 -1.116 7.085 1.00 51.11 N ATOM 3219 CA GLY B 84 10.048 -1.482 5.692 1.00 52.45 C ATOM 3220 C GLY B 84 10.405 -0.306 4.818 1.00 30.33 C ATOM 3221 O GLY B 84 10.296 0.847 5.236 1.00 4.21 O ATOM 0 H GLY B 84 9.616 -0.198 7.271 1.00 51.11 H new ATOM 0 HA2 GLY B 84 10.772 -2.283 5.540 1.00 52.45 H new ATOM 0 HA3 GLY B 84 9.074 -1.873 5.398 1.00 52.45 H new ATOM 3225 N ILE B 85 10.820 -0.602 3.604 1.00 72.33 N ATOM 3226 CA ILE B 85 11.249 0.409 2.656 1.00 70.35 C ATOM 3227 C ILE B 85 10.753 0.047 1.263 1.00 24.30 C ATOM 3228 O ILE B 85 10.888 -1.105 0.826 1.00 65.43 O ATOM 3229 CB ILE B 85 12.802 0.563 2.672 1.00 43.15 C ATOM 3230 CG1 ILE B 85 13.294 1.616 1.651 1.00 73.10 C ATOM 3231 CG2 ILE B 85 13.478 -0.786 2.429 1.00 2.22 C ATOM 3232 CD1 ILE B 85 13.537 1.077 0.252 1.00 22.31 C ATOM 0 H ILE B 85 10.870 -1.555 3.244 1.00 72.33 H new ATOM 0 HA ILE B 85 10.820 1.369 2.945 1.00 70.35 H new ATOM 0 HB ILE B 85 13.082 0.922 3.662 1.00 43.15 H new ATOM 0 HG12 ILE B 85 12.559 2.418 1.594 1.00 73.10 H new ATOM 0 HG13 ILE B 85 14.219 2.057 2.022 1.00 73.10 H new ATOM 0 HG21 ILE B 85 14.560 -0.658 2.444 1.00 2.22 H new ATOM 0 HG22 ILE B 85 13.184 -1.486 3.211 1.00 2.22 H new ATOM 0 HG23 ILE B 85 13.172 -1.177 1.459 1.00 2.22 H new ATOM 0 HD11 ILE B 85 13.879 1.885 -0.395 1.00 22.31 H new ATOM 0 HD12 ILE B 85 14.296 0.296 0.290 1.00 22.31 H new ATOM 0 HD13 ILE B 85 12.610 0.663 -0.144 1.00 22.31 H new ATOM 3244 N GLY B 86 10.162 1.029 0.593 1.00 43.24 N ATOM 3245 CA GLY B 86 9.657 0.854 -0.761 1.00 50.02 C ATOM 3246 C GLY B 86 9.854 2.116 -1.581 1.00 52.30 C ATOM 3247 O GLY B 86 10.220 3.149 -1.023 1.00 42.02 O ATOM 0 H GLY B 86 10.020 1.965 0.972 1.00 43.24 H new ATOM 0 HA2 GLY B 86 10.171 0.021 -1.240 1.00 50.02 H new ATOM 0 HA3 GLY B 86 8.598 0.599 -0.728 1.00 50.02 H new ATOM 3251 N PRO B 87 9.638 2.074 -2.906 1.00 42.21 N ATOM 3252 CA PRO B 87 9.851 3.238 -3.768 1.00 30.25 C ATOM 3253 C PRO B 87 8.741 4.277 -3.620 1.00 61.30 C ATOM 3254 O PRO B 87 7.558 3.939 -3.525 1.00 52.32 O ATOM 3255 CB PRO B 87 9.854 2.638 -5.176 1.00 44.10 C ATOM 3256 CG PRO B 87 8.976 1.435 -5.074 1.00 14.42 C ATOM 3257 CD PRO B 87 9.144 0.909 -3.668 1.00 45.13 C ATOM 0 HA PRO B 87 10.768 3.772 -3.521 1.00 30.25 H new ATOM 0 HB2 PRO B 87 9.471 3.347 -5.910 1.00 44.10 H new ATOM 0 HB3 PRO B 87 10.862 2.368 -5.490 1.00 44.10 H new ATOM 0 HG2 PRO B 87 7.936 1.694 -5.271 1.00 14.42 H new ATOM 0 HG3 PRO B 87 9.261 0.682 -5.808 1.00 14.42 H new ATOM 0 HD2 PRO B 87 8.201 0.539 -3.265 1.00 45.13 H new ATOM 0 HD3 PRO B 87 9.852 0.081 -3.634 1.00 45.13 H new ATOM 3265 N ASN B 88 9.138 5.541 -3.598 1.00 53.24 N ATOM 3266 CA ASN B 88 8.198 6.653 -3.497 1.00 21.43 C ATOM 3267 C ASN B 88 7.873 7.157 -4.897 1.00 21.10 C ATOM 3268 O ASN B 88 8.773 7.291 -5.729 1.00 51.23 O ATOM 3269 CB ASN B 88 8.807 7.786 -2.652 1.00 72.30 C ATOM 3270 CG ASN B 88 7.823 8.906 -2.326 1.00 63.22 C ATOM 3271 OD1 ASN B 88 6.875 9.165 -3.069 1.00 5.32 O ATOM 3272 ND2 ASN B 88 8.052 9.588 -1.214 1.00 3.11 N ATOM 0 H ASN B 88 10.116 5.826 -3.649 1.00 53.24 H new ATOM 0 HA ASN B 88 7.283 6.315 -3.011 1.00 21.43 H new ATOM 0 HB2 ASN B 88 9.189 7.368 -1.721 1.00 72.30 H new ATOM 0 HB3 ASN B 88 9.659 8.207 -3.185 1.00 72.30 H new ATOM 0 HD21 ASN B 88 7.434 10.355 -0.950 1.00 3.11 H new ATOM 0 HD22 ASN B 88 8.847 9.346 -0.622 1.00 3.11 H new ATOM 3279 N GLU B 89 6.598 7.448 -5.153 1.00 65.22 N ATOM 3280 CA GLU B 89 6.161 7.897 -6.477 1.00 51.32 C ATOM 3281 C GLU B 89 6.754 9.270 -6.811 1.00 22.42 C ATOM 3282 O GLU B 89 6.705 9.724 -7.955 1.00 11.02 O ATOM 3283 CB GLU B 89 4.627 7.923 -6.565 1.00 62.31 C ATOM 3284 CG GLU B 89 3.951 8.857 -5.566 1.00 11.15 C ATOM 3285 CD GLU B 89 2.433 8.813 -5.671 1.00 24.23 C ATOM 3286 OE1 GLU B 89 1.775 8.281 -4.753 1.00 4.32 O ATOM 3287 OE2 GLU B 89 1.890 9.294 -6.688 1.00 35.35 O1- ATOM 0 H GLU B 89 5.850 7.381 -4.463 1.00 65.22 H new ATOM 0 HA GLU B 89 6.529 7.185 -7.216 1.00 51.32 H new ATOM 0 HB2 GLU B 89 4.339 8.220 -7.573 1.00 62.31 H new ATOM 0 HB3 GLU B 89 4.250 6.912 -6.411 1.00 62.31 H new ATOM 0 HG2 GLU B 89 4.251 8.583 -4.555 1.00 11.15 H new ATOM 0 HG3 GLU B 89 4.295 9.877 -5.735 1.00 11.15 H new ATOM 3294 N GLU B 90 7.316 9.920 -5.795 1.00 52.12 N ATOM 3295 CA GLU B 90 8.054 11.169 -5.970 1.00 15.12 C ATOM 3296 C GLU B 90 9.346 10.916 -6.757 1.00 74.05 C ATOM 3297 O GLU B 90 9.928 11.825 -7.357 1.00 53.12 O ATOM 3298 CB GLU B 90 8.370 11.768 -4.591 1.00 14.23 C ATOM 3299 CG GLU B 90 9.335 12.941 -4.625 1.00 30.33 C ATOM 3300 CD GLU B 90 9.553 13.563 -3.254 1.00 5.15 C ATOM 3301 OE1 GLU B 90 8.759 14.445 -2.859 1.00 54.43 O ATOM 3302 OE2 GLU B 90 10.515 13.171 -2.561 1.00 12.50 O1- ATOM 0 H GLU B 90 7.273 9.597 -4.829 1.00 52.12 H new ATOM 0 HA GLU B 90 7.445 11.875 -6.535 1.00 15.12 H new ATOM 0 HB2 GLU B 90 7.439 12.092 -4.127 1.00 14.23 H new ATOM 0 HB3 GLU B 90 8.788 10.987 -3.956 1.00 14.23 H new ATOM 0 HG2 GLU B 90 10.293 12.607 -5.024 1.00 30.33 H new ATOM 0 HG3 GLU B 90 8.953 13.700 -5.307 1.00 30.33 H new ATOM 3309 N GLY B 91 9.763 9.657 -6.766 1.00 72.20 N ATOM 3310 CA GLY B 91 10.970 9.252 -7.465 1.00 12.11 C ATOM 3311 C GLY B 91 12.123 8.995 -6.518 1.00 71.02 C ATOM 3312 O GLY B 91 13.279 9.261 -6.848 1.00 5.53 O ATOM 0 H GLY B 91 9.277 8.895 -6.293 1.00 72.20 H new ATOM 0 HA2 GLY B 91 10.768 8.349 -8.041 1.00 12.11 H new ATOM 0 HA3 GLY B 91 11.253 10.028 -8.176 1.00 12.11 H new ATOM 3316 N GLY B 92 11.808 8.464 -5.340 1.00 60.34 N ATOM 3317 CA GLY B 92 12.828 8.130 -4.363 1.00 61.32 C ATOM 3318 C GLY B 92 12.444 6.898 -3.575 1.00 12.52 C ATOM 3319 O GLY B 92 11.885 5.953 -4.132 1.00 70.13 O ATOM 0 H GLY B 92 10.854 8.258 -5.043 1.00 60.34 H new ATOM 0 HA2 GLY B 92 13.779 7.960 -4.869 1.00 61.32 H new ATOM 0 HA3 GLY B 92 12.974 8.970 -3.683 1.00 61.32 H new ATOM 3323 N PHE B 93 12.726 6.907 -2.280 1.00 71.13 N ATOM 3324 CA PHE B 93 12.317 5.820 -1.396 1.00 4.00 C ATOM 3325 C PHE B 93 11.354 6.343 -0.343 1.00 73.12 C ATOM 3326 O PHE B 93 11.201 7.555 -0.171 1.00 63.14 O ATOM 3327 CB PHE B 93 13.529 5.156 -0.726 1.00 42.41 C ATOM 3328 CG PHE B 93 14.381 4.346 -1.672 1.00 52.32 C ATOM 3329 CD1 PHE B 93 15.752 4.543 -1.744 1.00 72.40 C ATOM 3330 CD2 PHE B 93 13.804 3.381 -2.488 1.00 72.15 C ATOM 3331 CE1 PHE B 93 16.528 3.795 -2.608 1.00 54.33 C ATOM 3332 CE2 PHE B 93 14.577 2.631 -3.353 1.00 20.53 C ATOM 3333 CZ PHE B 93 15.940 2.838 -3.414 1.00 20.53 C ATOM 0 H PHE B 93 13.238 7.657 -1.815 1.00 71.13 H new ATOM 0 HA PHE B 93 11.815 5.064 -1.999 1.00 4.00 H new ATOM 0 HB2 PHE B 93 14.146 5.928 -0.267 1.00 42.41 H new ATOM 0 HB3 PHE B 93 13.178 4.508 0.077 1.00 42.41 H new ATOM 0 HD1 PHE B 93 16.218 5.289 -1.118 1.00 72.40 H new ATOM 0 HD2 PHE B 93 12.738 3.215 -2.446 1.00 72.15 H new ATOM 0 HE1 PHE B 93 17.595 3.958 -2.654 1.00 54.33 H new ATOM 0 HE2 PHE B 93 14.115 1.883 -3.981 1.00 20.53 H new ATOM 0 HZ PHE B 93 16.546 2.253 -4.090 1.00 20.53 H new ATOM 3343 N ALA B 94 10.704 5.421 0.346 1.00 22.42 N ATOM 3344 CA ALA B 94 9.729 5.750 1.371 1.00 62.21 C ATOM 3345 C ALA B 94 9.792 4.710 2.487 1.00 42.21 C ATOM 3346 O ALA B 94 9.798 3.502 2.219 1.00 61.15 O ATOM 3347 CB ALA B 94 8.333 5.824 0.758 1.00 43.22 C ATOM 0 H ALA B 94 10.838 4.419 0.210 1.00 22.42 H new ATOM 0 HA ALA B 94 9.958 6.726 1.799 1.00 62.21 H new ATOM 0 HB1 ALA B 94 7.608 6.071 1.533 1.00 43.22 H new ATOM 0 HB2 ALA B 94 8.315 6.593 -0.014 1.00 43.22 H new ATOM 0 HB3 ALA B 94 8.078 4.861 0.317 1.00 43.22 H new ATOM 3353 N LEU B 95 9.869 5.184 3.728 1.00 51.40 N ATOM 3354 CA LEU B 95 10.024 4.310 4.888 1.00 52.52 C ATOM 3355 C LEU B 95 8.690 4.090 5.590 1.00 31.45 C ATOM 3356 O LEU B 95 7.987 5.044 5.937 1.00 74.21 O ATOM 3357 CB LEU B 95 11.057 4.891 5.875 1.00 5.44 C ATOM 3358 CG LEU B 95 12.533 4.591 5.548 1.00 70.54 C ATOM 3359 CD1 LEU B 95 12.828 3.100 5.698 1.00 3.52 C ATOM 3360 CD2 LEU B 95 12.888 5.064 4.140 1.00 13.14 C ATOM 0 H LEU B 95 9.826 6.177 3.957 1.00 51.40 H new ATOM 0 HA LEU B 95 10.386 3.346 4.532 1.00 52.52 H new ATOM 0 HB2 LEU B 95 10.925 5.972 5.916 1.00 5.44 H new ATOM 0 HB3 LEU B 95 10.838 4.505 6.871 1.00 5.44 H new ATOM 0 HG LEU B 95 13.151 5.139 6.259 1.00 70.54 H new ATOM 0 HD11 LEU B 95 13.875 2.911 5.462 1.00 3.52 H new ATOM 0 HD12 LEU B 95 12.625 2.790 6.723 1.00 3.52 H new ATOM 0 HD13 LEU B 95 12.195 2.533 5.016 1.00 3.52 H new ATOM 0 HD21 LEU B 95 13.935 4.841 3.934 1.00 13.14 H new ATOM 0 HD22 LEU B 95 12.258 4.550 3.414 1.00 13.14 H new ATOM 0 HD23 LEU B 95 12.725 6.139 4.065 1.00 13.14 H new ATOM 3372 N ASP B 96 8.358 2.825 5.783 1.00 51.23 N ATOM 3373 CA ASP B 96 7.149 2.419 6.492 1.00 11.24 C ATOM 3374 C ASP B 96 7.542 1.705 7.770 1.00 14.30 C ATOM 3375 O ASP B 96 8.051 0.592 7.726 1.00 55.22 O ATOM 3376 CB ASP B 96 6.336 1.462 5.624 1.00 22.11 C ATOM 3377 CG ASP B 96 5.038 1.001 6.273 1.00 4.43 C ATOM 3378 OD1 ASP B 96 4.970 -0.168 6.723 1.00 73.12 O ATOM 3379 OD2 ASP B 96 4.077 1.796 6.337 1.00 73.53 O1- ATOM 0 H ASP B 96 8.922 2.042 5.451 1.00 51.23 H new ATOM 0 HA ASP B 96 6.551 3.302 6.720 1.00 11.24 H new ATOM 0 HB2 ASP B 96 6.105 1.951 4.678 1.00 22.11 H new ATOM 0 HB3 ASP B 96 6.946 0.589 5.391 1.00 22.11 H new ATOM 3384 N VAL B 97 7.300 2.325 8.903 1.00 43.21 N ATOM 3385 CA VAL B 97 7.710 1.745 10.179 1.00 65.34 C ATOM 3386 C VAL B 97 6.505 1.544 11.087 1.00 4.12 C ATOM 3387 O VAL B 97 5.799 2.488 11.432 1.00 1.23 O ATOM 3388 CB VAL B 97 8.820 2.591 10.867 1.00 44.15 C ATOM 3389 CG1 VAL B 97 8.632 4.075 10.581 1.00 31.14 C ATOM 3390 CG2 VAL B 97 8.874 2.328 12.376 1.00 13.32 C ATOM 0 H VAL B 97 6.825 3.225 8.976 1.00 43.21 H new ATOM 0 HA VAL B 97 8.145 0.766 9.979 1.00 65.34 H new ATOM 0 HB VAL B 97 9.776 2.282 10.444 1.00 44.15 H new ATOM 0 HG11 VAL B 97 9.421 4.643 11.074 1.00 31.14 H new ATOM 0 HG12 VAL B 97 8.678 4.247 9.506 1.00 31.14 H new ATOM 0 HG13 VAL B 97 7.662 4.398 10.959 1.00 31.14 H new ATOM 0 HG21 VAL B 97 9.661 2.936 12.823 1.00 13.32 H new ATOM 0 HG22 VAL B 97 7.915 2.587 12.825 1.00 13.32 H new ATOM 0 HG23 VAL B 97 9.085 1.274 12.554 1.00 13.32 H new ATOM 3400 N GLU B 98 6.272 0.291 11.445 1.00 55.41 N ATOM 3401 CA GLU B 98 5.109 -0.107 12.217 1.00 61.25 C ATOM 3402 C GLU B 98 5.529 -0.451 13.648 1.00 55.42 C ATOM 3403 O GLU B 98 6.336 -1.358 13.861 1.00 74.01 O ATOM 3404 CB GLU B 98 4.451 -1.315 11.528 1.00 43.20 C ATOM 3405 CG GLU B 98 3.069 -1.662 12.056 1.00 33.43 C ATOM 3406 CD GLU B 98 2.438 -2.846 11.338 1.00 35.25 C ATOM 3407 OE1 GLU B 98 2.228 -2.760 10.112 1.00 70.42 O ATOM 3408 OE2 GLU B 98 2.134 -3.860 11.995 1.00 74.42 O1- ATOM 0 H GLU B 98 6.891 -0.484 11.205 1.00 55.41 H new ATOM 0 HA GLU B 98 4.389 0.710 12.267 1.00 61.25 H new ATOM 0 HB2 GLU B 98 4.378 -1.113 10.459 1.00 43.20 H new ATOM 0 HB3 GLU B 98 5.100 -2.183 11.645 1.00 43.20 H new ATOM 0 HG2 GLU B 98 3.138 -1.885 13.121 1.00 33.43 H new ATOM 0 HG3 GLU B 98 2.418 -0.793 11.954 1.00 33.43 H new ATOM 3415 N LEU B 99 4.997 0.287 14.624 1.00 61.12 N ATOM 3416 CA LEU B 99 5.355 0.084 16.030 1.00 54.24 C ATOM 3417 C LEU B 99 4.239 -0.654 16.761 1.00 51.12 C ATOM 3418 O LEU B 99 3.151 -0.112 16.956 1.00 12.44 O ATOM 3419 CB LEU B 99 5.635 1.427 16.727 1.00 60.12 C ATOM 3420 CG LEU B 99 6.856 2.207 16.209 1.00 42.10 C ATOM 3421 CD1 LEU B 99 7.048 3.496 17.008 1.00 24.34 C ATOM 3422 CD2 LEU B 99 8.117 1.342 16.264 1.00 1.13 C ATOM 0 H LEU B 99 4.317 1.031 14.467 1.00 61.12 H new ATOM 0 HA LEU B 99 6.263 -0.519 16.061 1.00 54.24 H new ATOM 0 HB2 LEU B 99 4.753 2.059 16.624 1.00 60.12 H new ATOM 0 HB3 LEU B 99 5.771 1.241 17.792 1.00 60.12 H new ATOM 0 HG LEU B 99 6.674 2.473 15.168 1.00 42.10 H new ATOM 0 HD11 LEU B 99 7.916 4.034 16.627 1.00 24.34 H new ATOM 0 HD12 LEU B 99 6.161 4.121 16.908 1.00 24.34 H new ATOM 0 HD13 LEU B 99 7.204 3.253 18.059 1.00 24.34 H new ATOM 0 HD21 LEU B 99 8.967 1.914 15.893 1.00 1.13 H new ATOM 0 HD22 LEU B 99 8.305 1.039 17.294 1.00 1.13 H new ATOM 0 HD23 LEU B 99 7.978 0.456 15.644 1.00 1.13 H new ATOM 3434 N ARG B 100 4.519 -1.889 17.162 1.00 53.41 N ATOM 3435 CA ARG B 100 3.532 -2.737 17.823 1.00 2.45 C ATOM 3436 C ARG B 100 3.735 -2.725 19.327 1.00 14.01 C ATOM 3437 O ARG B 100 4.799 -3.102 19.820 1.00 24.14 O ATOM 3438 CB ARG B 100 3.627 -4.164 17.281 1.00 53.52 C ATOM 3439 CG ARG B 100 3.374 -4.226 15.789 1.00 13.43 C ATOM 3440 CD ARG B 100 3.575 -5.610 15.213 1.00 64.11 C ATOM 3441 NE ARG B 100 3.342 -5.590 13.773 1.00 3.43 N ATOM 3442 CZ ARG B 100 4.092 -6.213 12.865 1.00 52.33 C ATOM 3443 NH1 ARG B 100 5.004 -7.109 13.223 1.00 41.53 N1+ ATOM 3444 NH2 ARG B 100 3.896 -5.954 11.584 1.00 11.32 N ATOM 0 H ARG B 100 5.431 -2.329 17.039 1.00 53.41 H new ATOM 0 HA ARG B 100 2.537 -2.344 17.613 1.00 2.45 H new ATOM 0 HB2 ARG B 100 4.616 -4.568 17.497 1.00 53.52 H new ATOM 0 HB3 ARG B 100 2.904 -4.796 17.797 1.00 53.52 H new ATOM 0 HG2 ARG B 100 2.355 -3.898 15.585 1.00 13.43 H new ATOM 0 HG3 ARG B 100 4.041 -3.528 15.284 1.00 13.43 H new ATOM 0 HD2 ARG B 100 4.588 -5.956 15.421 1.00 64.11 H new ATOM 0 HD3 ARG B 100 2.893 -6.314 15.690 1.00 64.11 H new ATOM 0 HE ARG B 100 2.541 -5.057 13.434 1.00 3.43 H new ATOM 0 HH11 ARG B 100 5.141 -7.332 14.209 1.00 41.53 H new ATOM 0 HH12 ARG B 100 5.568 -7.575 12.512 1.00 41.53 H new ATOM 0 HH21 ARG B 100 3.179 -5.285 11.303 1.00 11.32 H new ATOM 0 HH22 ARG B 100 4.462 -6.423 10.877 1.00 11.32 H new ATOM 3458 N VAL B 101 2.708 -2.295 20.048 1.00 41.00 N ATOM 3459 CA VAL B 101 2.775 -2.162 21.493 1.00 50.20 C ATOM 3460 C VAL B 101 1.915 -3.215 22.176 1.00 3.30 C ATOM 3461 O VAL B 101 0.692 -3.096 22.200 1.00 1.54 O ATOM 3462 CB VAL B 101 2.287 -0.765 21.942 1.00 60.12 C ATOM 3463 CG1 VAL B 101 2.326 -0.636 23.464 1.00 22.35 C ATOM 3464 CG2 VAL B 101 3.109 0.338 21.275 1.00 51.31 C ATOM 0 H VAL B 101 1.808 -2.030 19.647 1.00 41.00 H new ATOM 0 HA VAL B 101 3.818 -2.297 21.780 1.00 50.20 H new ATOM 0 HB VAL B 101 1.251 -0.650 21.624 1.00 60.12 H new ATOM 0 HG11 VAL B 101 1.978 0.355 23.754 1.00 22.35 H new ATOM 0 HG12 VAL B 101 1.680 -1.392 23.910 1.00 22.35 H new ATOM 0 HG13 VAL B 101 3.348 -0.779 23.815 1.00 22.35 H new ATOM 0 HG21 VAL B 101 2.748 1.312 21.606 1.00 51.31 H new ATOM 0 HG22 VAL B 101 4.158 0.227 21.551 1.00 51.31 H new ATOM 0 HG23 VAL B 101 3.008 0.262 20.192 1.00 51.31 H new ATOM 3474 N ALA B 102 2.546 -4.249 22.714 1.00 24.03 N ATOM 3475 CA ALA B 102 1.831 -5.227 23.520 1.00 53.32 C ATOM 3476 C ALA B 102 1.912 -4.810 24.979 1.00 44.40 C ATOM 3477 O ALA B 102 2.929 -5.032 25.639 1.00 4.42 O ATOM 3478 CB ALA B 102 2.417 -6.620 23.312 1.00 42.24 C ATOM 0 H ALA B 102 3.544 -4.431 22.608 1.00 24.03 H new ATOM 0 HA ALA B 102 0.785 -5.265 23.216 1.00 53.32 H new ATOM 0 HB1 ALA B 102 1.871 -7.339 23.922 1.00 42.24 H new ATOM 0 HB2 ALA B 102 2.332 -6.897 22.261 1.00 42.24 H new ATOM 0 HB3 ALA B 102 3.467 -6.620 23.604 1.00 42.24 H new ATOM 3484 N LEU B 103 0.833 -4.215 25.479 1.00 61.44 N ATOM 3485 CA LEU B 103 0.813 -3.637 26.818 1.00 72.24 C ATOM 3486 C LEU B 103 -0.272 -4.328 27.648 1.00 41.41 C ATOM 3487 O LEU B 103 -1.464 -4.131 27.415 1.00 40.11 O ATOM 3488 CB LEU B 103 0.583 -2.112 26.723 1.00 55.34 C ATOM 3489 CG LEU B 103 0.814 -1.301 28.019 1.00 34.43 C ATOM 3490 CD1 LEU B 103 2.179 -1.605 28.623 1.00 40.33 C ATOM 3491 CD2 LEU B 103 0.696 0.198 27.743 1.00 1.40 C ATOM 0 H LEU B 103 -0.046 -4.120 24.971 1.00 61.44 H new ATOM 0 HA LEU B 103 1.771 -3.795 27.314 1.00 72.24 H new ATOM 0 HB2 LEU B 103 1.240 -1.715 25.949 1.00 55.34 H new ATOM 0 HB3 LEU B 103 -0.441 -1.941 26.390 1.00 55.34 H new ATOM 0 HG LEU B 103 0.045 -1.595 28.733 1.00 34.43 H new ATOM 0 HD11 LEU B 103 2.313 -1.020 29.533 1.00 40.33 H new ATOM 0 HD12 LEU B 103 2.243 -2.667 28.861 1.00 40.33 H new ATOM 0 HD13 LEU B 103 2.959 -1.346 27.907 1.00 40.33 H new ATOM 0 HD21 LEU B 103 0.862 0.752 28.667 1.00 1.40 H new ATOM 0 HD22 LEU B 103 1.442 0.492 27.005 1.00 1.40 H new ATOM 0 HD23 LEU B 103 -0.300 0.420 27.360 1.00 1.40 H new ATOM 3503 N PRO B 104 0.145 -5.168 28.613 1.00 3.11 N ATOM 3504 CA PRO B 104 -0.764 -6.033 29.373 1.00 24.44 C ATOM 3505 C PRO B 104 -1.605 -5.268 30.397 1.00 5.10 C ATOM 3506 O PRO B 104 -1.228 -4.181 30.839 1.00 15.44 O ATOM 3507 CB PRO B 104 0.200 -7.000 30.066 1.00 10.11 C ATOM 3508 CG PRO B 104 1.447 -6.213 30.258 1.00 31.23 C ATOM 3509 CD PRO B 104 1.546 -5.325 29.051 1.00 74.24 C ATOM 0 HA PRO B 104 -1.503 -6.517 28.735 1.00 24.44 H new ATOM 0 HB2 PRO B 104 -0.202 -7.345 31.019 1.00 10.11 H new ATOM 0 HB3 PRO B 104 0.380 -7.885 29.456 1.00 10.11 H new ATOM 0 HG2 PRO B 104 1.404 -5.626 31.175 1.00 31.23 H new ATOM 0 HG3 PRO B 104 2.316 -6.866 30.338 1.00 31.23 H new ATOM 0 HD2 PRO B 104 1.998 -4.364 29.297 1.00 74.24 H new ATOM 0 HD3 PRO B 104 2.160 -5.776 28.272 1.00 74.24 H new ATOM 3517 N GLY B 105 -2.747 -5.850 30.766 1.00 72.34 N ATOM 3518 CA GLY B 105 -3.631 -5.233 31.742 1.00 21.00 C ATOM 3519 C GLY B 105 -4.344 -4.015 31.185 1.00 53.31 C ATOM 3520 O GLY B 105 -4.905 -3.211 31.934 1.00 21.33 O ATOM 0 H GLY B 105 -3.076 -6.744 30.402 1.00 72.34 H new ATOM 0 HA2 GLY B 105 -4.369 -5.963 32.073 1.00 21.00 H new ATOM 0 HA3 GLY B 105 -3.053 -4.943 32.620 1.00 21.00 H new ATOM 3524 N LEU B 106 -4.326 -3.884 29.863 1.00 45.40 N ATOM 3525 CA LEU B 106 -4.829 -2.690 29.194 1.00 45.21 C ATOM 3526 C LEU B 106 -5.638 -3.054 27.946 1.00 60.53 C ATOM 3527 O LEU B 106 -5.290 -3.985 27.222 1.00 55.33 O ATOM 3528 CB LEU B 106 -3.636 -1.790 28.827 1.00 22.13 C ATOM 3529 CG LEU B 106 -3.920 -0.652 27.833 1.00 5.55 C ATOM 3530 CD1 LEU B 106 -4.970 0.314 28.363 1.00 53.52 C ATOM 3531 CD2 LEU B 106 -2.633 0.090 27.506 1.00 55.01 C ATOM 0 H LEU B 106 -3.965 -4.597 29.229 1.00 45.40 H new ATOM 0 HA LEU B 106 -5.499 -2.156 29.867 1.00 45.21 H new ATOM 0 HB2 LEU B 106 -3.243 -1.352 29.745 1.00 22.13 H new ATOM 0 HB3 LEU B 106 -2.849 -2.419 28.411 1.00 22.13 H new ATOM 0 HG LEU B 106 -4.318 -1.099 26.922 1.00 5.55 H new ATOM 0 HD11 LEU B 106 -5.141 1.103 27.631 1.00 53.52 H new ATOM 0 HD12 LEU B 106 -5.901 -0.223 28.542 1.00 53.52 H new ATOM 0 HD13 LEU B 106 -4.620 0.755 29.296 1.00 53.52 H new ATOM 0 HD21 LEU B 106 -2.845 0.894 26.801 1.00 55.01 H new ATOM 0 HD22 LEU B 106 -2.213 0.510 28.420 1.00 55.01 H new ATOM 0 HD23 LEU B 106 -1.917 -0.602 27.062 1.00 55.01 H new ATOM 3543 N ASP B 107 -6.728 -2.317 27.722 1.00 0.12 N ATOM 3544 CA ASP B 107 -7.548 -2.467 26.517 1.00 50.41 C ATOM 3545 C ASP B 107 -6.864 -1.807 25.331 1.00 24.13 C ATOM 3546 O ASP B 107 -6.191 -0.789 25.489 1.00 45.41 O ATOM 3547 CB ASP B 107 -8.930 -1.824 26.716 1.00 1.44 C ATOM 3548 CG ASP B 107 -9.852 -2.645 27.600 1.00 20.21 C ATOM 3549 OD1 ASP B 107 -9.599 -2.734 28.818 1.00 63.12 O ATOM 3550 OD2 ASP B 107 -10.846 -3.195 27.079 1.00 14.11 O1- ATOM 0 H ASP B 107 -7.066 -1.603 28.367 1.00 0.12 H new ATOM 0 HA ASP B 107 -7.671 -3.533 26.326 1.00 50.41 H new ATOM 0 HB2 ASP B 107 -8.803 -0.834 27.155 1.00 1.44 H new ATOM 0 HB3 ASP B 107 -9.401 -1.683 25.743 1.00 1.44 H new ATOM 3555 N ALA B 108 -7.055 -2.369 24.144 1.00 12.24 N ATOM 3556 CA ALA B 108 -6.451 -1.828 22.930 1.00 21.33 C ATOM 3557 C ALA B 108 -6.997 -0.434 22.623 1.00 4.44 C ATOM 3558 O ALA B 108 -6.266 0.442 22.155 1.00 12.01 O ATOM 3559 CB ALA B 108 -6.689 -2.773 21.758 1.00 34.32 C ATOM 0 H ALA B 108 -7.625 -3.202 23.995 1.00 12.24 H new ATOM 0 HA ALA B 108 -5.377 -1.737 23.090 1.00 21.33 H new ATOM 0 HB1 ALA B 108 -6.234 -2.359 20.858 1.00 34.32 H new ATOM 0 HB2 ALA B 108 -6.243 -3.743 21.977 1.00 34.32 H new ATOM 0 HB3 ALA B 108 -7.761 -2.894 21.600 1.00 34.32 H new ATOM 3565 N ALA B 109 -8.285 -0.233 22.903 1.00 61.34 N ATOM 3566 CA ALA B 109 -8.936 1.053 22.664 1.00 64.51 C ATOM 3567 C ALA B 109 -8.241 2.168 23.450 1.00 34.40 C ATOM 3568 O ALA B 109 -7.859 3.194 22.885 1.00 22.24 O ATOM 3569 CB ALA B 109 -10.416 0.977 23.027 1.00 34.53 C ATOM 0 H ALA B 109 -8.898 -0.947 23.296 1.00 61.34 H new ATOM 0 HA ALA B 109 -8.854 1.287 21.603 1.00 64.51 H new ATOM 0 HB1 ALA B 109 -10.886 1.943 22.843 1.00 34.53 H new ATOM 0 HB2 ALA B 109 -10.902 0.215 22.417 1.00 34.53 H new ATOM 0 HB3 ALA B 109 -10.519 0.718 24.081 1.00 34.53 H new ATOM 3575 N ALA B 110 -8.065 1.949 24.751 1.00 13.42 N ATOM 3576 CA ALA B 110 -7.366 2.907 25.602 1.00 72.03 C ATOM 3577 C ALA B 110 -5.883 2.948 25.246 1.00 4.25 C ATOM 3578 O ALA B 110 -5.256 4.012 25.245 1.00 22.41 O ATOM 3579 CB ALA B 110 -7.557 2.552 27.073 1.00 4.12 C ATOM 0 H ALA B 110 -8.397 1.117 25.238 1.00 13.42 H new ATOM 0 HA ALA B 110 -7.789 3.897 25.432 1.00 72.03 H new ATOM 0 HB1 ALA B 110 -7.029 3.276 27.694 1.00 4.12 H new ATOM 0 HB2 ALA B 110 -8.619 2.571 27.317 1.00 4.12 H new ATOM 0 HB3 ALA B 110 -7.159 1.555 27.261 1.00 4.12 H new ATOM 3585 N ALA B 111 -5.333 1.779 24.924 1.00 64.14 N ATOM 3586 CA ALA B 111 -3.930 1.658 24.541 1.00 51.51 C ATOM 3587 C ALA B 111 -3.610 2.580 23.373 1.00 2.23 C ATOM 3588 O ALA B 111 -2.526 3.158 23.311 1.00 42.41 O ATOM 3589 CB ALA B 111 -3.596 0.211 24.198 1.00 4.22 C ATOM 0 H ALA B 111 -5.844 0.896 24.921 1.00 64.14 H new ATOM 0 HA ALA B 111 -3.313 1.960 25.387 1.00 51.51 H new ATOM 0 HB1 ALA B 111 -2.546 0.137 23.914 1.00 4.22 H new ATOM 0 HB2 ALA B 111 -3.783 -0.421 25.066 1.00 4.22 H new ATOM 0 HB3 ALA B 111 -4.220 -0.120 23.368 1.00 4.22 H new ATOM 3595 N LYS B 112 -4.568 2.728 22.462 1.00 32.30 N ATOM 3596 CA LYS B 112 -4.422 3.643 21.334 1.00 34.20 C ATOM 3597 C LYS B 112 -4.082 5.052 21.816 1.00 24.41 C ATOM 3598 O LYS B 112 -3.125 5.662 21.339 1.00 32.01 O ATOM 3599 CB LYS B 112 -5.704 3.669 20.485 1.00 45.31 C ATOM 3600 CG LYS B 112 -5.845 2.478 19.541 1.00 74.45 C ATOM 3601 CD LYS B 112 -7.153 2.528 18.753 1.00 63.04 C ATOM 3602 CE LYS B 112 -7.123 1.604 17.538 1.00 72.33 C ATOM 3603 NZ LYS B 112 -6.100 2.033 16.543 1.00 62.21 N1+ ATOM 0 H LYS B 112 -5.455 2.225 22.483 1.00 32.30 H new ATOM 0 HA LYS B 112 -3.601 3.282 20.715 1.00 34.20 H new ATOM 0 HB2 LYS B 112 -6.568 3.698 21.149 1.00 45.31 H new ATOM 0 HB3 LYS B 112 -5.722 4.588 19.900 1.00 45.31 H new ATOM 0 HG2 LYS B 112 -5.004 2.462 18.848 1.00 74.45 H new ATOM 0 HG3 LYS B 112 -5.802 1.552 20.115 1.00 74.45 H new ATOM 0 HD2 LYS B 112 -7.980 2.244 19.404 1.00 63.04 H new ATOM 0 HD3 LYS B 112 -7.341 3.551 18.426 1.00 63.04 H new ATOM 0 HE2 LYS B 112 -6.911 0.585 17.861 1.00 72.33 H new ATOM 0 HE3 LYS B 112 -8.106 1.591 17.067 1.00 72.33 H new ATOM 0 HZ1 LYS B 112 -6.554 2.179 15.619 1.00 62.21 H new ATOM 0 HZ2 LYS B 112 -5.661 2.922 16.858 1.00 62.21 H new ATOM 0 HZ3 LYS B 112 -5.370 1.298 16.457 1.00 62.21 H new ATOM 3617 N THR B 113 -4.842 5.555 22.785 1.00 71.03 N ATOM 3618 CA THR B 113 -4.661 6.926 23.250 1.00 12.30 C ATOM 3619 C THR B 113 -3.408 7.043 24.118 1.00 72.03 C ATOM 3620 O THR B 113 -2.728 8.068 24.101 1.00 34.03 O ATOM 3621 CB THR B 113 -5.898 7.447 24.032 1.00 51.23 C ATOM 3622 OG1 THR B 113 -5.994 8.875 23.906 1.00 15.33 O ATOM 3623 CG2 THR B 113 -5.829 7.086 25.513 1.00 55.23 C ATOM 0 H THR B 113 -5.583 5.039 23.260 1.00 71.03 H new ATOM 0 HA THR B 113 -4.542 7.548 22.363 1.00 12.30 H new ATOM 0 HB THR B 113 -6.777 6.968 23.601 1.00 51.23 H new ATOM 0 HG1 THR B 113 -6.777 9.195 24.401 1.00 15.33 H new ATOM 0 HG21 THR B 113 -6.713 7.469 26.022 1.00 55.23 H new ATOM 0 HG22 THR B 113 -5.789 6.002 25.622 1.00 55.23 H new ATOM 0 HG23 THR B 113 -4.936 7.528 25.954 1.00 55.23 H new ATOM 3631 N LEU B 114 -3.104 5.986 24.873 1.00 42.02 N ATOM 3632 CA LEU B 114 -1.930 5.979 25.746 1.00 34.43 C ATOM 3633 C LEU B 114 -0.653 6.000 24.917 1.00 70.23 C ATOM 3634 O LEU B 114 0.238 6.819 25.155 1.00 14.10 O ATOM 3635 CB LEU B 114 -1.950 4.765 26.687 1.00 61.41 C ATOM 3636 CG LEU B 114 -3.175 4.682 27.615 1.00 44.12 C ATOM 3637 CD1 LEU B 114 -3.011 3.554 28.630 1.00 65.44 C ATOM 3638 CD2 LEU B 114 -3.420 6.019 28.316 1.00 20.12 C ATOM 0 H LEU B 114 -3.653 5.127 24.897 1.00 42.02 H new ATOM 0 HA LEU B 114 -1.957 6.878 26.362 1.00 34.43 H new ATOM 0 HB2 LEU B 114 -1.906 3.857 26.085 1.00 61.41 H new ATOM 0 HB3 LEU B 114 -1.049 4.785 27.300 1.00 61.41 H new ATOM 0 HG LEU B 114 -4.049 4.460 27.003 1.00 44.12 H new ATOM 0 HD11 LEU B 114 -3.889 3.514 29.275 1.00 65.44 H new ATOM 0 HD12 LEU B 114 -2.903 2.605 28.105 1.00 65.44 H new ATOM 0 HD13 LEU B 114 -2.123 3.736 29.236 1.00 65.44 H new ATOM 0 HD21 LEU B 114 -4.291 5.935 28.966 1.00 20.12 H new ATOM 0 HD22 LEU B 114 -2.546 6.283 28.912 1.00 20.12 H new ATOM 0 HD23 LEU B 114 -3.598 6.794 27.570 1.00 20.12 H new ATOM 3650 N VAL B 115 -0.584 5.122 23.926 1.00 61.11 N ATOM 3651 CA VAL B 115 0.550 5.086 23.015 1.00 23.35 C ATOM 3652 C VAL B 115 0.601 6.372 22.197 1.00 63.55 C ATOM 3653 O VAL B 115 1.675 6.873 21.890 1.00 10.54 O ATOM 3654 CB VAL B 115 0.488 3.863 22.063 1.00 32.23 C ATOM 3655 CG1 VAL B 115 1.655 3.874 21.077 1.00 53.51 C ATOM 3656 CG2 VAL B 115 0.469 2.560 22.861 1.00 32.34 C ATOM 0 H VAL B 115 -1.302 4.424 23.733 1.00 61.11 H new ATOM 0 HA VAL B 115 1.454 4.995 23.618 1.00 23.35 H new ATOM 0 HB VAL B 115 -0.437 3.930 21.490 1.00 32.23 H new ATOM 0 HG11 VAL B 115 1.586 3.005 20.422 1.00 53.51 H new ATOM 0 HG12 VAL B 115 1.617 4.784 20.478 1.00 53.51 H new ATOM 0 HG13 VAL B 115 2.596 3.840 21.626 1.00 53.51 H new ATOM 0 HG21 VAL B 115 0.425 1.714 22.175 1.00 32.34 H new ATOM 0 HG22 VAL B 115 1.373 2.491 23.466 1.00 32.34 H new ATOM 0 HG23 VAL B 115 -0.405 2.545 23.512 1.00 32.34 H new ATOM 3666 N ASP B 116 -0.571 6.912 21.870 1.00 33.05 N ATOM 3667 CA ASP B 116 -0.663 8.146 21.089 1.00 4.03 C ATOM 3668 C ASP B 116 -0.024 9.315 21.826 1.00 43.14 C ATOM 3669 O ASP B 116 0.848 10.002 21.284 1.00 21.31 O ATOM 3670 CB ASP B 116 -2.122 8.486 20.776 1.00 75.43 C ATOM 3671 CG ASP B 116 -2.257 9.759 19.952 1.00 20.42 C ATOM 3672 OD1 ASP B 116 -1.547 9.895 18.928 1.00 45.35 O ATOM 3673 OD2 ASP B 116 -3.077 10.627 20.319 1.00 32.45 O1- ATOM 0 H ASP B 116 -1.472 6.514 22.134 1.00 33.05 H new ATOM 0 HA ASP B 116 -0.123 7.978 20.157 1.00 4.03 H new ATOM 0 HB2 ASP B 116 -2.578 7.656 20.235 1.00 75.43 H new ATOM 0 HB3 ASP B 116 -2.674 8.600 21.709 1.00 75.43 H new ATOM 3678 N ARG B 117 -0.460 9.536 23.067 1.00 65.05 N ATOM 3679 CA ARG B 117 0.029 10.655 23.856 1.00 30.34 C ATOM 3680 C ARG B 117 1.495 10.443 24.222 1.00 41.22 C ATOM 3681 O ARG B 117 2.294 11.383 24.213 1.00 22.44 O ATOM 3682 CB ARG B 117 -0.833 10.833 25.111 1.00 5.33 C ATOM 3683 CG ARG B 117 -0.914 9.583 25.979 1.00 52.02 C ATOM 3684 CD ARG B 117 -1.972 9.704 27.064 1.00 70.20 C ATOM 3685 NE ARG B 117 -1.634 10.733 28.050 1.00 35.41 N ATOM 3686 CZ ARG B 117 -1.813 10.620 29.369 1.00 33.14 C ATOM 3687 NH1 ARG B 117 -2.309 9.505 29.895 1.00 12.31 N1+ ATOM 3688 NH2 ARG B 117 -1.494 11.634 30.162 1.00 12.43 N ATOM 0 H ARG B 117 -1.149 8.953 23.542 1.00 65.05 H new ATOM 0 HA ARG B 117 -0.042 11.567 23.263 1.00 30.34 H new ATOM 0 HB2 ARG B 117 -0.429 11.652 25.706 1.00 5.33 H new ATOM 0 HB3 ARG B 117 -1.840 11.123 24.812 1.00 5.33 H new ATOM 0 HG2 ARG B 117 -1.137 8.721 25.351 1.00 52.02 H new ATOM 0 HG3 ARG B 117 0.057 9.399 26.439 1.00 52.02 H new ATOM 0 HD2 ARG B 117 -2.933 9.941 26.608 1.00 70.20 H new ATOM 0 HD3 ARG B 117 -2.086 8.744 27.567 1.00 70.20 H new ATOM 0 HE ARG B 117 -1.231 11.603 27.703 1.00 35.41 H new ATOM 0 HH11 ARG B 117 -2.558 8.722 29.290 1.00 12.31 H new ATOM 0 HH12 ARG B 117 -2.441 9.432 30.904 1.00 12.31 H new ATOM 0 HH21 ARG B 117 -1.115 12.493 29.764 1.00 12.43 H new ATOM 0 HH22 ARG B 117 -1.628 11.555 31.170 1.00 12.43 H new ATOM 3702 N ALA B 118 1.847 9.197 24.521 1.00 61.11 N ATOM 3703 CA ALA B 118 3.233 8.832 24.775 1.00 4.01 C ATOM 3704 C ALA B 118 4.072 9.114 23.529 1.00 4.12 C ATOM 3705 O ALA B 118 5.187 9.631 23.611 1.00 22.32 O ATOM 3706 CB ALA B 118 3.323 7.364 25.178 1.00 4.44 C ATOM 0 H ALA B 118 1.188 8.422 24.593 1.00 61.11 H new ATOM 0 HA ALA B 118 3.624 9.430 25.598 1.00 4.01 H new ATOM 0 HB1 ALA B 118 4.364 7.101 25.366 1.00 4.44 H new ATOM 0 HB2 ALA B 118 2.738 7.199 26.083 1.00 4.44 H new ATOM 0 HB3 ALA B 118 2.931 6.741 24.374 1.00 4.44 H new ATOM 3712 N HIS B 119 3.487 8.815 22.371 1.00 53.54 N ATOM 3713 CA HIS B 119 4.130 9.038 21.080 1.00 31.05 C ATOM 3714 C HIS B 119 4.039 10.519 20.680 1.00 22.51 C ATOM 3715 O HIS B 119 4.297 10.876 19.532 1.00 73.21 O ATOM 3716 CB HIS B 119 3.459 8.152 20.010 1.00 24.30 C ATOM 3717 CG HIS B 119 4.358 7.737 18.881 1.00 50.32 C ATOM 3718 ND1 HIS B 119 4.217 8.190 17.587 1.00 33.22 N ATOM 3719 CD2 HIS B 119 5.406 6.885 18.863 1.00 55.12 C ATOM 3720 CE1 HIS B 119 5.146 7.636 16.827 1.00 74.31 C ATOM 3721 NE2 HIS B 119 5.884 6.841 17.578 1.00 22.51 N ATOM 0 H HIS B 119 2.553 8.411 22.302 1.00 53.54 H new ATOM 0 HA HIS B 119 5.184 8.771 21.158 1.00 31.05 H new ATOM 0 HB2 HIS B 119 3.069 7.256 20.493 1.00 24.30 H new ATOM 0 HB3 HIS B 119 2.605 8.689 19.597 1.00 24.30 H new ATOM 0 HD1 HIS B 119 3.508 8.849 17.266 1.00 33.22 H new ATOM 0 HD2 HIS B 119 5.797 6.337 19.708 1.00 55.12 H new ATOM 0 HE1 HIS B 119 5.279 7.806 15.769 1.00 74.31 H new ATOM 3730 N HIS B 120 3.623 11.372 21.615 1.00 35.12 N ATOM 3731 CA HIS B 120 3.632 12.824 21.404 1.00 61.52 C ATOM 3732 C HIS B 120 4.724 13.478 22.246 1.00 22.12 C ATOM 3733 O HIS B 120 5.412 14.388 21.785 1.00 21.30 O ATOM 3734 CB HIS B 120 2.267 13.452 21.748 1.00 61.10 C ATOM 3735 CG HIS B 120 1.224 13.293 20.680 1.00 45.20 C ATOM 3736 ND1 HIS B 120 -0.075 12.923 20.943 1.00 23.40 N ATOM 3737 CD2 HIS B 120 1.287 13.495 19.342 1.00 61.34 C ATOM 3738 CE1 HIS B 120 -0.765 12.903 19.818 1.00 14.23 C ATOM 3739 NE2 HIS B 120 0.038 13.248 18.829 1.00 33.30 N ATOM 0 H HIS B 120 3.274 11.084 22.529 1.00 35.12 H new ATOM 0 HA HIS B 120 3.835 13.001 20.348 1.00 61.52 H new ATOM 0 HB2 HIS B 120 1.897 13.004 22.670 1.00 61.10 H new ATOM 0 HB3 HIS B 120 2.409 14.515 21.945 1.00 61.10 H new ATOM 0 HD2 HIS B 120 2.160 13.795 18.782 1.00 61.34 H new ATOM 0 HE1 HIS B 120 -1.810 12.648 19.723 1.00 14.23 H new ATOM 0 HE2 HIS B 120 -0.226 13.319 17.846 1.00 33.30 H new ATOM 3748 N VAL B 121 4.883 13.004 23.479 1.00 53.34 N ATOM 3749 CA VAL B 121 5.823 13.610 24.425 1.00 2.11 C ATOM 3750 C VAL B 121 7.247 13.078 24.240 1.00 31.12 C ATOM 3751 O VAL B 121 8.217 13.833 24.349 1.00 43.14 O ATOM 3752 CB VAL B 121 5.372 13.386 25.892 1.00 52.03 C ATOM 3753 CG1 VAL B 121 4.016 14.043 26.143 1.00 41.33 C ATOM 3754 CG2 VAL B 121 5.319 11.895 26.234 1.00 63.42 C ATOM 0 H VAL B 121 4.374 12.201 23.849 1.00 53.34 H new ATOM 0 HA VAL B 121 5.826 14.679 24.213 1.00 2.11 H new ATOM 0 HB VAL B 121 6.110 13.853 26.544 1.00 52.03 H new ATOM 0 HG11 VAL B 121 3.716 13.875 27.177 1.00 41.33 H new ATOM 0 HG12 VAL B 121 4.091 15.114 25.956 1.00 41.33 H new ATOM 0 HG13 VAL B 121 3.272 13.609 25.475 1.00 41.33 H new ATOM 0 HG21 VAL B 121 5.000 11.770 27.269 1.00 63.42 H new ATOM 0 HG22 VAL B 121 4.611 11.395 25.573 1.00 63.42 H new ATOM 0 HG23 VAL B 121 6.308 11.457 26.104 1.00 63.42 H new ATOM 3764 N CYS B 122 7.369 11.786 23.940 1.00 64.23 N ATOM 3765 CA CYS B 122 8.674 11.132 23.845 1.00 24.42 C ATOM 3766 C CYS B 122 9.500 11.691 22.679 1.00 23.34 C ATOM 3767 O CYS B 122 8.952 12.018 21.621 1.00 74.53 O ATOM 3768 CB CYS B 122 8.490 9.617 23.684 1.00 15.34 C ATOM 3769 SG CYS B 122 7.612 8.832 25.057 1.00 14.44 S ATOM 0 H CYS B 122 6.577 11.169 23.758 1.00 64.23 H new ATOM 0 HA CYS B 122 9.220 11.335 24.767 1.00 24.42 H new ATOM 0 HB2 CYS B 122 7.945 9.424 22.760 1.00 15.34 H new ATOM 0 HB3 CYS B 122 9.470 9.151 23.579 1.00 15.34 H new ATOM 0 HG CYS B 122 6.330 8.932 24.866 1.00 14.44 H new ATOM 3775 N PRO B 123 10.836 11.815 22.862 1.00 45.45 N ATOM 3776 CA PRO B 123 11.743 12.271 21.800 1.00 1.30 C ATOM 3777 C PRO B 123 11.792 11.268 20.647 1.00 21.43 C ATOM 3778 O PRO B 123 11.317 10.138 20.788 1.00 1.12 O ATOM 3779 CB PRO B 123 13.108 12.372 22.503 1.00 65.25 C ATOM 3780 CG PRO B 123 13.002 11.447 23.670 1.00 12.41 C ATOM 3781 CD PRO B 123 11.564 11.515 24.113 1.00 30.51 C ATOM 0 HA PRO B 123 11.427 13.214 21.354 1.00 1.30 H new ATOM 0 HB2 PRO B 123 13.919 12.078 21.837 1.00 65.25 H new ATOM 0 HB3 PRO B 123 13.313 13.393 22.824 1.00 65.25 H new ATOM 0 HG2 PRO B 123 13.278 10.430 23.390 1.00 12.41 H new ATOM 0 HG3 PRO B 123 13.674 11.750 24.473 1.00 12.41 H new ATOM 0 HD2 PRO B 123 11.234 10.575 24.554 1.00 30.51 H new ATOM 0 HD3 PRO B 123 11.411 12.291 24.863 1.00 30.51 H new ATOM 3789 N TYR B 124 12.356 11.693 19.509 1.00 44.15 N ATOM 3790 CA TYR B 124 12.395 10.884 18.277 1.00 41.53 C ATOM 3791 C TYR B 124 11.005 10.801 17.638 1.00 41.03 C ATOM 3792 O TYR B 124 10.849 10.990 16.431 1.00 24.42 O ATOM 3793 CB TYR B 124 12.925 9.457 18.533 1.00 11.44 C ATOM 3794 CG TYR B 124 14.350 9.393 19.057 1.00 34.02 C ATOM 3795 CD1 TYR B 124 15.422 9.160 18.200 1.00 62.34 C ATOM 3796 CD2 TYR B 124 14.622 9.561 20.412 1.00 4.11 C ATOM 3797 CE1 TYR B 124 16.713 9.102 18.680 1.00 22.14 C ATOM 3798 CE2 TYR B 124 15.912 9.503 20.894 1.00 2.53 C ATOM 3799 CZ TYR B 124 16.954 9.273 20.023 1.00 65.35 C ATOM 3800 OH TYR B 124 18.242 9.223 20.497 1.00 21.31 O ATOM 0 H TYR B 124 12.799 12.607 19.413 1.00 44.15 H new ATOM 0 HA TYR B 124 13.083 11.385 17.596 1.00 41.53 H new ATOM 0 HB2 TYR B 124 12.267 8.963 19.248 1.00 11.44 H new ATOM 0 HB3 TYR B 124 12.869 8.891 17.603 1.00 11.44 H new ATOM 0 HD1 TYR B 124 15.240 9.023 17.144 1.00 62.34 H new ATOM 0 HD2 TYR B 124 13.807 9.740 21.098 1.00 4.11 H new ATOM 0 HE1 TYR B 124 17.534 8.922 18.002 1.00 22.14 H new ATOM 0 HE2 TYR B 124 16.105 9.637 21.948 1.00 2.53 H new ATOM 0 HH TYR B 124 18.467 10.076 20.924 1.00 21.31 H new ATOM 3845 N THR B 128 9.364 11.184 13.823 1.00 13.32 N ATOM 3846 CA THR B 128 9.152 9.874 13.233 1.00 55.14 C ATOM 3847 C THR B 128 7.695 9.705 12.828 1.00 13.14 C ATOM 3848 O THR B 128 7.366 8.842 12.024 1.00 21.45 O ATOM 3849 CB THR B 128 9.570 8.738 14.206 1.00 41.45 C ATOM 3850 OG1 THR B 128 9.920 7.560 13.467 1.00 41.22 O ATOM 3851 CG2 THR B 128 8.450 8.396 15.183 1.00 11.25 C ATOM 0 HA THR B 128 9.780 9.805 12.345 1.00 55.14 H new ATOM 0 HB THR B 128 10.430 9.094 14.774 1.00 41.45 H new ATOM 0 HG1 THR B 128 10.184 6.850 14.089 1.00 41.22 H new ATOM 0 HG21 THR B 128 8.779 7.597 15.848 1.00 11.25 H new ATOM 0 HG22 THR B 128 8.199 9.278 15.772 1.00 11.25 H new ATOM 0 HG23 THR B 128 7.571 8.068 14.628 1.00 11.25 H new ATOM 3859 N ARG B 129 6.823 10.549 13.371 1.00 41.51 N ATOM 3860 CA ARG B 129 5.396 10.439 13.095 1.00 75.21 C ATOM 3861 C ARG B 129 4.933 11.604 12.228 1.00 73.32 C ATOM 3862 O ARG B 129 4.143 11.424 11.301 1.00 44.41 O ATOM 3863 CB ARG B 129 4.592 10.370 14.401 1.00 21.01 C ATOM 3864 CG ARG B 129 4.575 11.658 15.217 1.00 45.10 C ATOM 3865 CD ARG B 129 3.756 11.503 16.495 1.00 21.21 C ATOM 3866 NE ARG B 129 2.353 11.149 16.226 1.00 2.44 N ATOM 3867 CZ ARG B 129 1.484 10.740 17.160 1.00 0.21 C ATOM 3868 NH1 ARG B 129 1.868 10.618 18.424 1.00 5.12 N1+ ATOM 3869 NH2 ARG B 129 0.232 10.460 16.831 1.00 44.44 N ATOM 0 H ARG B 129 7.077 11.311 14.000 1.00 41.51 H new ATOM 0 HA ARG B 129 5.220 9.514 12.546 1.00 75.21 H new ATOM 0 HB2 ARG B 129 3.564 10.095 14.163 1.00 21.01 H new ATOM 0 HB3 ARG B 129 5.001 9.571 15.020 1.00 21.01 H new ATOM 0 HG2 ARG B 129 5.596 11.942 15.471 1.00 45.10 H new ATOM 0 HG3 ARG B 129 4.160 12.466 14.614 1.00 45.10 H new ATOM 0 HD2 ARG B 129 4.208 10.734 17.121 1.00 21.21 H new ATOM 0 HD3 ARG B 129 3.790 12.435 17.060 1.00 21.21 H new ATOM 0 HE ARG B 129 2.020 11.220 15.264 1.00 2.44 H new ATOM 0 HH11 ARG B 129 2.829 10.836 18.688 1.00 5.12 H new ATOM 0 HH12 ARG B 129 1.203 10.306 19.131 1.00 5.12 H new ATOM 0 HH21 ARG B 129 -0.074 10.555 15.863 1.00 44.44 H new ATOM 0 HH22 ARG B 129 -0.426 10.149 17.546 1.00 44.44 H new ATOM 3883 N ASN B 130 5.423 12.801 12.536 1.00 21.53 N ATOM 3884 CA ASN B 130 5.113 13.977 11.732 1.00 53.34 C ATOM 3885 C ASN B 130 5.964 13.983 10.469 1.00 22.35 C ATOM 3886 O ASN B 130 5.464 14.198 9.364 1.00 70.41 O ATOM 3887 CB ASN B 130 5.337 15.279 12.523 1.00 70.21 C ATOM 3888 CG ASN B 130 4.468 15.376 13.768 1.00 33.52 C ATOM 3889 OD1 ASN B 130 3.328 15.838 13.715 1.00 60.32 O ATOM 3890 ND2 ASN B 130 5.010 14.963 14.902 1.00 74.14 N ATOM 0 H ASN B 130 6.034 12.981 13.333 1.00 21.53 H new ATOM 0 HA ASN B 130 4.058 13.928 11.461 1.00 53.34 H new ATOM 0 HB2 ASN B 130 6.386 15.346 12.813 1.00 70.21 H new ATOM 0 HB3 ASN B 130 5.130 16.131 11.875 1.00 70.21 H new ATOM 0 HD21 ASN B 130 4.480 15.022 15.772 1.00 74.14 H new ATOM 0 HD22 ASN B 130 5.958 14.586 14.907 1.00 74.14 H new ATOM 3897 N ASN B 131 7.258 13.732 10.648 1.00 34.23 N ATOM 3898 CA ASN B 131 8.216 13.773 9.546 1.00 31.43 C ATOM 3899 C ASN B 131 8.205 12.450 8.772 1.00 54.44 C ATOM 3900 O ASN B 131 8.201 12.440 7.541 1.00 13.44 O ATOM 3901 CB ASN B 131 9.626 14.061 10.096 1.00 3.33 C ATOM 3902 CG ASN B 131 10.632 14.536 9.041 1.00 61.21 C ATOM 3903 OD1 ASN B 131 11.561 15.277 9.360 1.00 75.43 O ATOM 3904 ND2 ASN B 131 10.473 14.127 7.785 1.00 34.33 N ATOM 0 H ASN B 131 7.669 13.497 11.551 1.00 34.23 H new ATOM 0 HA ASN B 131 7.931 14.570 8.860 1.00 31.43 H new ATOM 0 HB2 ASN B 131 9.551 14.819 10.876 1.00 3.33 H new ATOM 0 HB3 ASN B 131 10.011 13.156 10.566 1.00 3.33 H new ATOM 0 HD21 ASN B 131 11.129 14.428 7.064 1.00 34.33 H new ATOM 0 HD22 ASN B 131 9.695 13.513 7.543 1.00 34.33 H new ATOM 3911 N VAL B 132 8.185 11.340 9.503 1.00 52.13 N ATOM 3912 CA VAL B 132 8.298 10.003 8.907 1.00 11.30 C ATOM 3913 C VAL B 132 6.973 9.242 9.062 1.00 11.32 C ATOM 3914 O VAL B 132 6.087 9.682 9.800 1.00 35.23 O ATOM 3915 CB VAL B 132 9.467 9.214 9.565 1.00 15.30 C ATOM 3916 CG1 VAL B 132 9.748 7.899 8.834 1.00 32.53 C ATOM 3917 CG2 VAL B 132 10.729 10.080 9.628 1.00 3.12 C ATOM 0 H VAL B 132 8.091 11.336 10.519 1.00 52.13 H new ATOM 0 HA VAL B 132 8.514 10.108 7.844 1.00 11.30 H new ATOM 0 HB VAL B 132 9.164 8.962 10.581 1.00 15.30 H new ATOM 0 HG11 VAL B 132 10.571 7.379 9.325 1.00 32.53 H new ATOM 0 HG12 VAL B 132 8.857 7.272 8.857 1.00 32.53 H new ATOM 0 HG13 VAL B 132 10.017 8.109 7.799 1.00 32.53 H new ATOM 0 HG21 VAL B 132 11.537 9.513 10.091 1.00 3.12 H new ATOM 0 HG22 VAL B 132 11.022 10.371 8.619 1.00 3.12 H new ATOM 0 HG23 VAL B 132 10.528 10.974 10.219 1.00 3.12 H new ATOM 3927 N ALA B 133 6.831 8.118 8.363 1.00 53.04 N ATOM 3928 CA ALA B 133 5.587 7.349 8.380 1.00 53.01 C ATOM 3929 C ALA B 133 5.655 6.170 9.349 1.00 72.23 C ATOM 3930 O ALA B 133 6.057 5.052 8.985 1.00 0.23 O ATOM 3931 CB ALA B 133 5.239 6.875 6.972 1.00 11.23 C ATOM 0 H ALA B 133 7.563 7.718 7.776 1.00 53.04 H new ATOM 0 HA ALA B 133 4.796 8.009 8.736 1.00 53.01 H new ATOM 0 HB1 ALA B 133 4.311 6.304 6.999 1.00 11.23 H new ATOM 0 HB2 ALA B 133 5.115 7.738 6.318 1.00 11.23 H new ATOM 0 HB3 ALA B 133 6.042 6.244 6.592 1.00 11.23 H new ATOM 3937 N VAL B 134 5.279 6.442 10.593 1.00 34.41 N ATOM 3938 CA VAL B 134 5.145 5.407 11.607 1.00 31.34 C ATOM 3939 C VAL B 134 3.677 5.065 11.834 1.00 33.12 C ATOM 3940 O VAL B 134 2.856 5.947 12.101 1.00 12.15 O ATOM 3941 CB VAL B 134 5.765 5.823 12.959 1.00 33.43 C ATOM 3942 CG1 VAL B 134 5.490 4.759 14.011 1.00 61.10 C ATOM 3943 CG2 VAL B 134 7.262 6.052 12.829 1.00 5.41 C ATOM 0 H VAL B 134 5.060 7.381 10.925 1.00 34.41 H new ATOM 0 HA VAL B 134 5.685 4.538 11.231 1.00 31.34 H new ATOM 0 HB VAL B 134 5.303 6.761 13.268 1.00 33.43 H new ATOM 0 HG11 VAL B 134 5.932 5.063 14.960 1.00 61.10 H new ATOM 0 HG12 VAL B 134 4.414 4.638 14.134 1.00 61.10 H new ATOM 0 HG13 VAL B 134 5.927 3.812 13.694 1.00 61.10 H new ATOM 0 HG21 VAL B 134 7.671 6.344 13.796 1.00 5.41 H new ATOM 0 HG22 VAL B 134 7.743 5.133 12.494 1.00 5.41 H new ATOM 0 HG23 VAL B 134 7.447 6.844 12.103 1.00 5.41 H new ATOM 3953 N ARG B 135 3.362 3.783 11.735 1.00 11.21 N ATOM 3954 CA ARG B 135 2.020 3.281 11.988 1.00 24.23 C ATOM 3955 C ARG B 135 1.962 2.655 13.381 1.00 24.22 C ATOM 3956 O ARG B 135 2.591 1.625 13.638 1.00 54.44 O ATOM 3957 CB ARG B 135 1.647 2.263 10.903 1.00 74.32 C ATOM 3958 CG ARG B 135 0.303 1.565 11.100 1.00 34.13 C ATOM 3959 CD ARG B 135 -0.062 0.709 9.887 1.00 2.43 C ATOM 3960 NE ARG B 135 1.020 -0.214 9.517 1.00 1.50 N ATOM 3961 CZ ARG B 135 1.917 0.019 8.553 1.00 23.13 C ATOM 3962 NH1 ARG B 135 1.825 1.101 7.791 1.00 1.54 N1+ ATOM 3963 NH2 ARG B 135 2.892 -0.847 8.338 1.00 14.33 N ATOM 0 H ARG B 135 4.032 3.059 11.476 1.00 11.21 H new ATOM 0 HA ARG B 135 1.300 4.099 11.954 1.00 24.23 H new ATOM 0 HB2 ARG B 135 1.636 2.771 9.939 1.00 74.32 H new ATOM 0 HB3 ARG B 135 2.428 1.505 10.855 1.00 74.32 H new ATOM 0 HG2 ARG B 135 0.344 0.938 11.991 1.00 34.13 H new ATOM 0 HG3 ARG B 135 -0.475 2.310 11.269 1.00 34.13 H new ATOM 0 HD2 ARG B 135 -0.966 0.139 10.104 1.00 2.43 H new ATOM 0 HD3 ARG B 135 -0.290 1.358 9.041 1.00 2.43 H new ATOM 0 HE ARG B 135 1.092 -1.092 10.031 1.00 1.50 H new ATOM 0 HH11 ARG B 135 1.065 1.765 7.938 1.00 1.54 H new ATOM 0 HH12 ARG B 135 2.515 1.269 7.059 1.00 1.54 H new ATOM 0 HH21 ARG B 135 2.959 -1.691 8.907 1.00 14.33 H new ATOM 0 HH22 ARG B 135 3.577 -0.671 7.603 1.00 14.33 H new ATOM 3977 N LEU B 136 1.242 3.312 14.288 1.00 62.51 N ATOM 3978 CA LEU B 136 1.097 2.828 15.654 1.00 72.41 C ATOM 3979 C LEU B 136 0.035 1.733 15.727 1.00 41.21 C ATOM 3980 O LEU B 136 -1.142 1.961 15.434 1.00 33.52 O ATOM 3981 CB LEU B 136 0.746 3.986 16.603 1.00 60.04 C ATOM 3982 CG LEU B 136 1.898 4.961 16.907 1.00 34.22 C ATOM 3983 CD1 LEU B 136 1.428 6.102 17.805 1.00 41.31 C ATOM 3984 CD2 LEU B 136 3.072 4.227 17.552 1.00 0.00 C ATOM 0 H LEU B 136 0.749 4.184 14.098 1.00 62.51 H new ATOM 0 HA LEU B 136 2.050 2.402 15.970 1.00 72.41 H new ATOM 0 HB2 LEU B 136 -0.081 4.550 16.171 1.00 60.04 H new ATOM 0 HB3 LEU B 136 0.389 3.567 17.544 1.00 60.04 H new ATOM 0 HG LEU B 136 2.233 5.387 15.961 1.00 34.22 H new ATOM 0 HD11 LEU B 136 2.262 6.776 18.004 1.00 41.31 H new ATOM 0 HD12 LEU B 136 0.629 6.651 17.307 1.00 41.31 H new ATOM 0 HD13 LEU B 136 1.058 5.695 18.746 1.00 41.31 H new ATOM 0 HD21 LEU B 136 3.875 4.935 17.758 1.00 0.00 H new ATOM 0 HD22 LEU B 136 2.745 3.767 18.485 1.00 0.00 H new ATOM 0 HD23 LEU B 136 3.435 3.455 16.874 1.00 0.00 H new ATOM 3996 N VAL B 137 0.473 0.545 16.114 1.00 22.01 N ATOM 3997 CA VAL B 137 -0.392 -0.620 16.246 1.00 61.13 C ATOM 3998 C VAL B 137 -0.323 -1.149 17.675 1.00 31.22 C ATOM 3999 O VAL B 137 0.729 -1.583 18.144 1.00 63.04 O ATOM 4000 CB VAL B 137 -0.001 -1.726 15.221 1.00 72.22 C ATOM 4001 CG1 VAL B 137 1.476 -1.626 14.876 1.00 20.11 C ATOM 4002 CG2 VAL B 137 -0.323 -3.131 15.738 1.00 5.14 C ATOM 0 H VAL B 137 1.448 0.359 16.348 1.00 22.01 H new ATOM 0 HA VAL B 137 -1.418 -0.323 16.029 1.00 61.13 H new ATOM 0 HB VAL B 137 -0.597 -1.561 14.323 1.00 72.22 H new ATOM 0 HG11 VAL B 137 1.736 -2.405 14.159 1.00 20.11 H new ATOM 0 HG12 VAL B 137 1.683 -0.648 14.441 1.00 20.11 H new ATOM 0 HG13 VAL B 137 2.070 -1.753 15.781 1.00 20.11 H new ATOM 0 HG21 VAL B 137 -0.033 -3.869 14.990 1.00 5.14 H new ATOM 0 HG22 VAL B 137 0.227 -3.314 16.661 1.00 5.14 H new ATOM 0 HG23 VAL B 137 -1.393 -3.211 15.932 1.00 5.14 H new ATOM 4012 N VAL B 138 -1.446 -1.081 18.366 1.00 51.04 N ATOM 4013 CA VAL B 138 -1.530 -1.507 19.755 1.00 24.22 C ATOM 4014 C VAL B 138 -2.086 -2.918 19.829 1.00 70.52 C ATOM 4015 O VAL B 138 -2.988 -3.293 19.073 1.00 62.24 O ATOM 4016 CB VAL B 138 -2.384 -0.558 20.618 1.00 51.45 C ATOM 4017 CG1 VAL B 138 -1.910 0.881 20.465 1.00 13.13 C ATOM 4018 CG2 VAL B 138 -3.853 -0.712 20.278 1.00 0.20 C ATOM 0 H VAL B 138 -2.324 -0.730 17.984 1.00 51.04 H new ATOM 0 HA VAL B 138 -0.518 -1.483 20.160 1.00 24.22 H new ATOM 0 HB VAL B 138 -2.261 -0.828 21.667 1.00 51.45 H new ATOM 0 HG11 VAL B 138 -2.526 1.535 21.082 1.00 13.13 H new ATOM 0 HG12 VAL B 138 -0.870 0.957 20.782 1.00 13.13 H new ATOM 0 HG13 VAL B 138 -1.994 1.183 19.421 1.00 13.13 H new ATOM 0 HG21 VAL B 138 -4.442 -0.035 20.896 1.00 0.20 H new ATOM 0 HG22 VAL B 138 -4.010 -0.473 19.226 1.00 0.20 H new ATOM 0 HG23 VAL B 138 -4.164 -1.739 20.467 1.00 0.20 H new ATOM 4028 N ALA B 139 -1.506 -3.705 20.700 1.00 41.23 N ATOM 4029 CA ALA B 139 -1.820 -5.126 20.789 1.00 52.34 C ATOM 4030 C ALA B 139 -2.652 -5.406 22.037 1.00 22.31 C ATOM 4031 O ALA B 139 -3.874 -5.624 21.898 1.00 10.42 O ATOM 4032 CB ALA B 139 -0.543 -5.958 20.771 1.00 71.35 C ATOM 4033 OXT ALA B 139 -2.089 -5.383 23.150 1.00 0.00 O1- ATOM 0 H ALA B 139 -0.804 -3.389 21.369 1.00 41.23 H new ATOM 0 HA ALA B 139 -2.412 -5.412 19.920 1.00 52.34 H new ATOM 0 HB1 ALA B 139 -0.797 -7.016 20.838 1.00 71.35 H new ATOM 0 HB2 ALA B 139 -0.001 -5.773 19.843 1.00 71.35 H new ATOM 0 HB3 ALA B 139 0.084 -5.681 21.619 1.00 71.35 H new