USER MOD reduce.3.24.130724 H: found=0, std=0, add=916, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 915 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 69 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.195) USER MOD Set 1.2: A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 61 ASN : amide:sc= -1.7 K(o=-2.6,f=-5!) USER MOD Set 2.2: A 66 THR OG1 : rot -149:sc= -0.865 USER MOD Set 3.1: A 13 LYS NZ :NH3+ -153:sc= 0.11 (180deg=-0.0203) USER MOD Set 3.2: A 14 ASN : amide:sc= -0.68 K(o=-0.57,f=-1.9) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 CYS SG : rot 140:sc= -0.342 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0369 USER MOD Single : A 18 MET CE :methyl -153:sc= -1.01 (180deg=-2.19) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.0132) USER MOD Single : A 28 HIS : no HD1:sc= -1.53 K(o=-1.5,f=-3.1) USER MOD Single : A 32 TYR OH : rot -64:sc= -0.44 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.392 K(o=-0.39,f=-0.91) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0364 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 73:sc= 0.031 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0.137 X(o=0.14,f=0) USER MOD Single : A 82 SER OG : rot 139:sc= 0.106 USER MOD Single : A 87 MET CE :methyl -127:sc= -0.512 (180deg=-2.01) USER MOD Single : A 90 GLN : amide:sc= -0.336 X(o=-0.34,f=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0.00184 USER MOD Single : A 95 LYS NZ :NH3+ -125:sc= 0.246 (180deg=-2.46!) USER MOD Single : A 104 LYS NZ :NH3+ 174:sc= -0.0071 (180deg=-0.0913) USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 68 N VAL A 7 0.831 0.762 -17.091 1.00 10.34 N ATOM 69 CA VAL A 7 1.225 -0.306 -18.003 1.00 2.44 C ATOM 70 C VAL A 7 0.114 -0.614 -19.002 1.00 5.32 C ATOM 71 O VAL A 7 -1.066 -0.636 -18.648 1.00 24.25 O ATOM 72 CB VAL A 7 1.584 -1.593 -17.238 1.00 52.12 C ATOM 73 CG1 VAL A 7 2.153 -2.638 -18.187 1.00 54.24 C ATOM 74 CG2 VAL A 7 2.567 -1.288 -16.116 1.00 43.52 C ATOM 0 HA VAL A 7 2.106 0.046 -18.541 1.00 2.44 H new ATOM 0 HB VAL A 7 0.674 -1.998 -16.794 1.00 52.12 H new ATOM 0 HG11 VAL A 7 2.401 -3.540 -17.628 1.00 54.24 H new ATOM 0 HG12 VAL A 7 1.414 -2.876 -18.952 1.00 54.24 H new ATOM 0 HG13 VAL A 7 3.053 -2.247 -18.662 1.00 54.24 H new ATOM 0 HG21 VAL A 7 2.810 -2.208 -15.585 1.00 43.52 H new ATOM 0 HG22 VAL A 7 3.477 -0.860 -16.536 1.00 43.52 H new ATOM 0 HG23 VAL A 7 2.118 -0.577 -15.422 1.00 43.52 H new ATOM 84 N THR A 8 0.498 -0.852 -20.251 1.00 15.13 N ATOM 85 CA THR A 8 -0.464 -1.159 -21.302 1.00 55.12 C ATOM 86 C THR A 8 -0.035 -2.384 -22.101 1.00 32.31 C ATOM 87 O THR A 8 1.144 -2.546 -22.421 1.00 11.22 O ATOM 88 CB THR A 8 -0.644 0.030 -22.263 1.00 32.32 C ATOM 89 OG1 THR A 8 -0.436 1.262 -21.564 1.00 2.03 O ATOM 90 CG2 THR A 8 -2.034 0.021 -22.882 1.00 55.11 C ATOM 0 H THR A 8 1.470 -0.838 -20.560 1.00 15.13 H new ATOM 0 HA THR A 8 -1.414 -1.366 -20.809 1.00 55.12 H new ATOM 0 HB THR A 8 0.093 -0.063 -23.061 1.00 32.32 H new ATOM 0 HG1 THR A 8 -0.551 2.013 -22.183 1.00 2.03 H new ATOM 0 HG21 THR A 8 -2.137 0.871 -23.557 1.00 55.11 H new ATOM 0 HG22 THR A 8 -2.178 -0.905 -23.439 1.00 55.11 H new ATOM 0 HG23 THR A 8 -2.784 0.091 -22.094 1.00 55.11 H new ATOM 98 N ILE A 9 -0.996 -3.243 -22.421 1.00 40.31 N ATOM 99 CA ILE A 9 -0.715 -4.453 -23.186 1.00 3.44 C ATOM 100 C ILE A 9 -1.396 -4.410 -24.549 1.00 62.44 C ATOM 101 O ILE A 9 -2.546 -3.988 -24.668 1.00 5.32 O ATOM 102 CB ILE A 9 -1.177 -5.714 -22.432 1.00 0.54 C ATOM 103 CG1 ILE A 9 -0.996 -6.954 -23.310 1.00 33.21 C ATOM 104 CG2 ILE A 9 -2.629 -5.571 -22.000 1.00 54.44 C ATOM 105 CD1 ILE A 9 -1.247 -8.254 -22.580 1.00 32.30 C ATOM 0 H ILE A 9 -1.976 -3.125 -22.163 1.00 40.31 H new ATOM 0 HA ILE A 9 0.365 -4.498 -23.324 1.00 3.44 H new ATOM 0 HB ILE A 9 -0.563 -5.831 -21.539 1.00 0.54 H new ATOM 0 HG12 ILE A 9 -1.674 -6.888 -24.161 1.00 33.21 H new ATOM 0 HG13 ILE A 9 0.018 -6.961 -23.710 1.00 33.21 H new ATOM 0 HG21 ILE A 9 -2.941 -6.470 -21.468 1.00 54.44 H new ATOM 0 HG22 ILE A 9 -2.730 -4.708 -21.342 1.00 54.44 H new ATOM 0 HG23 ILE A 9 -3.258 -5.433 -22.879 1.00 54.44 H new ATOM 0 HD11 ILE A 9 -1.100 -9.090 -23.264 1.00 32.30 H new ATOM 0 HD12 ILE A 9 -0.552 -8.342 -21.745 1.00 32.30 H new ATOM 0 HD13 ILE A 9 -2.270 -8.268 -22.204 1.00 32.30 H new ATOM 117 N TYR A 10 -0.678 -4.854 -25.576 1.00 4.54 N ATOM 118 CA TYR A 10 -1.213 -4.867 -26.933 1.00 30.24 C ATOM 119 C TYR A 10 -1.448 -6.296 -27.411 1.00 22.21 C ATOM 120 O TYR A 10 -0.522 -7.105 -27.468 1.00 41.11 O ATOM 121 CB TYR A 10 -0.256 -4.149 -27.886 1.00 22.32 C ATOM 122 CG TYR A 10 -0.168 -2.658 -27.647 1.00 34.41 C ATOM 123 CD1 TYR A 10 0.636 -2.143 -26.638 1.00 15.21 C ATOM 124 CD2 TYR A 10 -0.889 -1.766 -28.431 1.00 54.11 C ATOM 125 CE1 TYR A 10 0.718 -0.782 -26.416 1.00 22.30 C ATOM 126 CE2 TYR A 10 -0.811 -0.403 -28.216 1.00 20.31 C ATOM 127 CZ TYR A 10 -0.006 0.084 -27.208 1.00 60.44 C ATOM 128 OH TYR A 10 0.073 1.441 -26.990 1.00 41.33 O ATOM 0 H TYR A 10 0.275 -5.209 -25.494 1.00 4.54 H new ATOM 0 HA TYR A 10 -2.169 -4.344 -26.926 1.00 30.24 H new ATOM 0 HB2 TYR A 10 0.738 -4.584 -27.785 1.00 22.32 H new ATOM 0 HB3 TYR A 10 -0.578 -4.326 -28.912 1.00 22.32 H new ATOM 0 HD1 TYR A 10 1.206 -2.818 -26.017 1.00 15.21 H new ATOM 0 HD2 TYR A 10 -1.521 -2.144 -29.221 1.00 54.11 H new ATOM 0 HE1 TYR A 10 1.346 -0.398 -25.626 1.00 22.30 H new ATOM 0 HE2 TYR A 10 -1.378 0.277 -28.834 1.00 20.31 H new ATOM 0 HH TYR A 10 -0.497 1.910 -27.635 1.00 41.33 H new ATOM 138 N GLY A 11 -2.696 -6.600 -27.756 1.00 41.24 N ATOM 139 CA GLY A 11 -3.032 -7.931 -28.227 1.00 3.41 C ATOM 140 C GLY A 11 -4.300 -7.948 -29.059 1.00 42.14 C ATOM 141 O GLY A 11 -4.676 -6.936 -29.649 1.00 61.14 O ATOM 0 H GLY A 11 -3.480 -5.948 -27.718 1.00 41.24 H new ATOM 0 HA2 GLY A 11 -2.206 -8.322 -28.821 1.00 3.41 H new ATOM 0 HA3 GLY A 11 -3.153 -8.596 -27.372 1.00 3.41 H new ATOM 145 N ILE A 12 -4.956 -9.102 -29.108 1.00 0.23 N ATOM 146 CA ILE A 12 -6.188 -9.247 -29.874 1.00 21.20 C ATOM 147 C ILE A 12 -7.230 -10.042 -29.096 1.00 0.25 C ATOM 148 O ILE A 12 -6.963 -10.528 -27.996 1.00 72.24 O ATOM 149 CB ILE A 12 -5.932 -9.942 -31.224 1.00 70.51 C ATOM 150 CG1 ILE A 12 -5.189 -11.263 -31.009 1.00 34.24 C ATOM 151 CG2 ILE A 12 -5.142 -9.029 -32.150 1.00 63.31 C ATOM 152 CD1 ILE A 12 -5.052 -12.091 -32.268 1.00 42.40 C ATOM 0 H ILE A 12 -4.656 -9.950 -28.627 1.00 0.23 H new ATOM 0 HA ILE A 12 -6.565 -8.241 -30.057 1.00 21.20 H new ATOM 0 HB ILE A 12 -6.892 -10.158 -31.692 1.00 70.51 H new ATOM 0 HG12 ILE A 12 -4.196 -11.052 -30.613 1.00 34.24 H new ATOM 0 HG13 ILE A 12 -5.715 -11.848 -30.255 1.00 34.24 H new ATOM 0 HG21 ILE A 12 -4.969 -9.535 -33.100 1.00 63.31 H new ATOM 0 HG22 ILE A 12 -5.705 -8.112 -32.324 1.00 63.31 H new ATOM 0 HG23 ILE A 12 -4.185 -8.785 -31.690 1.00 63.31 H new ATOM 0 HD11 ILE A 12 -4.516 -13.012 -32.041 1.00 42.40 H new ATOM 0 HD12 ILE A 12 -6.042 -12.333 -32.654 1.00 42.40 H new ATOM 0 HD13 ILE A 12 -4.499 -11.525 -33.018 1.00 42.40 H new ATOM 164 N LYS A 13 -8.419 -10.172 -29.673 1.00 73.52 N ATOM 165 CA LYS A 13 -9.503 -10.911 -29.035 1.00 71.53 C ATOM 166 C LYS A 13 -9.499 -12.372 -29.476 1.00 42.41 C ATOM 167 O LYS A 13 -9.978 -13.248 -28.757 1.00 70.40 O ATOM 168 CB LYS A 13 -10.851 -10.270 -29.371 1.00 10.01 C ATOM 169 CG LYS A 13 -11.139 -10.203 -30.861 1.00 12.21 C ATOM 170 CD LYS A 13 -12.567 -9.762 -31.135 1.00 11.45 C ATOM 171 CE LYS A 13 -13.541 -10.924 -31.016 1.00 71.10 C ATOM 172 NZ LYS A 13 -13.486 -11.819 -32.205 1.00 71.14 N ATOM 0 H LYS A 13 -8.657 -9.775 -30.582 1.00 73.52 H new ATOM 0 HA LYS A 13 -9.349 -10.875 -27.957 1.00 71.53 H new ATOM 0 HB2 LYS A 13 -11.644 -10.835 -28.881 1.00 10.01 H new ATOM 0 HB3 LYS A 13 -10.877 -9.261 -28.959 1.00 10.01 H new ATOM 0 HG2 LYS A 13 -10.446 -9.508 -31.335 1.00 12.21 H new ATOM 0 HG3 LYS A 13 -10.967 -11.181 -31.310 1.00 12.21 H new ATOM 0 HD2 LYS A 13 -12.848 -8.977 -30.433 1.00 11.45 H new ATOM 0 HD3 LYS A 13 -12.631 -9.333 -32.135 1.00 11.45 H new ATOM 0 HE2 LYS A 13 -13.313 -11.499 -30.118 1.00 71.10 H new ATOM 0 HE3 LYS A 13 -14.554 -10.538 -30.899 1.00 71.10 H new ATOM 0 HZ1 LYS A 13 -14.404 -12.292 -32.326 1.00 71.14 H new ATOM 0 HZ2 LYS A 13 -13.271 -11.257 -33.053 1.00 71.14 H new ATOM 0 HZ3 LYS A 13 -12.744 -12.534 -32.067 1.00 71.14 H new ATOM 186 N ASN A 14 -8.953 -12.626 -30.661 1.00 14.55 N ATOM 187 CA ASN A 14 -8.886 -13.981 -31.196 1.00 43.33 C ATOM 188 C ASN A 14 -7.504 -14.587 -30.970 1.00 4.54 C ATOM 189 O ASN A 14 -6.752 -14.816 -31.918 1.00 13.15 O ATOM 190 CB ASN A 14 -9.214 -13.979 -32.690 1.00 12.44 C ATOM 191 CG ASN A 14 -10.597 -13.424 -32.977 1.00 1.15 C ATOM 192 OD1 ASN A 14 -11.606 -14.087 -32.736 1.00 11.24 O ATOM 193 ND2 ASN A 14 -10.649 -12.203 -33.495 1.00 4.23 N ATOM 0 H ASN A 14 -8.551 -11.912 -31.268 1.00 14.55 H new ATOM 0 HA ASN A 14 -9.622 -14.589 -30.670 1.00 43.33 H new ATOM 0 HB2 ASN A 14 -8.470 -13.386 -33.222 1.00 12.44 H new ATOM 0 HB3 ASN A 14 -9.146 -14.996 -33.076 1.00 12.44 H new ATOM 0 HD21 ASN A 14 -11.551 -11.778 -33.710 1.00 4.23 H new ATOM 0 HD22 ASN A 14 -9.787 -11.690 -33.678 1.00 4.23 H new ATOM 200 N CYS A 15 -7.178 -14.846 -29.708 1.00 13.42 N ATOM 201 CA CYS A 15 -5.887 -15.427 -29.356 1.00 5.12 C ATOM 202 C CYS A 15 -5.958 -16.134 -28.007 1.00 45.42 C ATOM 203 O CYS A 15 -6.126 -15.494 -26.967 1.00 62.11 O ATOM 204 CB CYS A 15 -4.809 -14.342 -29.321 1.00 22.14 C ATOM 205 SG CYS A 15 -3.124 -14.979 -29.170 1.00 2.24 S ATOM 0 H CYS A 15 -7.789 -14.663 -28.912 1.00 13.42 H new ATOM 0 HA CYS A 15 -5.628 -16.163 -30.117 1.00 5.12 H new ATOM 0 HB2 CYS A 15 -4.880 -13.745 -30.230 1.00 22.14 H new ATOM 0 HB3 CYS A 15 -5.009 -13.673 -28.484 1.00 22.14 H new ATOM 0 HG CYS A 15 -2.329 -14.288 -29.932 1.00 2.24 H new ATOM 211 N ASP A 16 -5.831 -17.456 -28.029 1.00 14.03 N ATOM 212 CA ASP A 16 -5.882 -18.249 -26.807 1.00 11.23 C ATOM 213 C ASP A 16 -4.796 -17.812 -25.829 1.00 34.34 C ATOM 214 O ASP A 16 -5.052 -17.634 -24.638 1.00 45.12 O ATOM 215 CB ASP A 16 -5.725 -19.736 -27.133 1.00 50.21 C ATOM 216 CG ASP A 16 -4.642 -19.992 -28.162 1.00 54.43 C ATOM 217 OD1 ASP A 16 -3.458 -20.064 -27.773 1.00 34.04 O ATOM 218 OD2 ASP A 16 -4.979 -20.117 -29.359 1.00 34.14 O ATOM 0 H ASP A 16 -5.692 -18.001 -28.880 1.00 14.03 H new ATOM 0 HA ASP A 16 -6.853 -18.088 -26.338 1.00 11.23 H new ATOM 0 HB2 ASP A 16 -5.491 -20.282 -26.219 1.00 50.21 H new ATOM 0 HB3 ASP A 16 -6.673 -20.126 -27.503 1.00 50.21 H new ATOM 223 N THR A 17 -3.580 -17.642 -26.340 1.00 62.21 N ATOM 224 CA THR A 17 -2.454 -17.228 -25.513 1.00 10.24 C ATOM 225 C THR A 17 -2.795 -15.983 -24.703 1.00 43.54 C ATOM 226 O THR A 17 -2.502 -15.907 -23.510 1.00 32.13 O ATOM 227 CB THR A 17 -1.204 -16.945 -26.367 1.00 64.53 C ATOM 228 OG1 THR A 17 -1.140 -17.863 -27.463 1.00 51.14 O ATOM 229 CG2 THR A 17 0.061 -17.058 -25.529 1.00 13.05 C ATOM 0 H THR A 17 -3.350 -17.785 -27.323 1.00 62.21 H new ATOM 0 HA THR A 17 -2.241 -18.053 -24.833 1.00 10.24 H new ATOM 0 HB THR A 17 -1.277 -15.927 -26.751 1.00 64.53 H new ATOM 0 HG1 THR A 17 -0.343 -17.675 -28.001 1.00 51.14 H new ATOM 0 HG21 THR A 17 0.931 -16.854 -26.154 1.00 13.05 H new ATOM 0 HG22 THR A 17 0.023 -16.336 -24.713 1.00 13.05 H new ATOM 0 HG23 THR A 17 0.137 -18.065 -25.119 1.00 13.05 H new ATOM 237 N MET A 18 -3.419 -15.009 -25.358 1.00 61.22 N ATOM 238 CA MET A 18 -3.801 -13.766 -24.696 1.00 4.42 C ATOM 239 C MET A 18 -4.612 -14.050 -23.436 1.00 72.34 C ATOM 240 O MET A 18 -4.374 -13.455 -22.385 1.00 54.40 O ATOM 241 CB MET A 18 -4.611 -12.885 -25.649 1.00 41.43 C ATOM 242 CG MET A 18 -3.765 -12.207 -26.715 1.00 42.31 C ATOM 243 SD MET A 18 -2.640 -10.975 -26.030 1.00 61.21 S ATOM 244 CE MET A 18 -3.797 -9.878 -25.213 1.00 35.43 C ATOM 0 H MET A 18 -3.671 -15.056 -26.345 1.00 61.22 H new ATOM 0 HA MET A 18 -2.890 -13.239 -24.411 1.00 4.42 H new ATOM 0 HB2 MET A 18 -5.373 -13.494 -26.135 1.00 41.43 H new ATOM 0 HB3 MET A 18 -5.133 -12.122 -25.071 1.00 41.43 H new ATOM 0 HG2 MET A 18 -3.189 -12.962 -27.250 1.00 42.31 H new ATOM 0 HG3 MET A 18 -4.420 -11.730 -27.444 1.00 42.31 H new ATOM 0 HE1 MET A 18 -3.374 -8.874 -25.164 1.00 35.43 H new ATOM 0 HE2 MET A 18 -4.731 -9.852 -25.774 1.00 35.43 H new ATOM 0 HE3 MET A 18 -3.990 -10.240 -24.203 1.00 35.43 H new ATOM 254 N LYS A 19 -5.573 -14.962 -23.548 1.00 34.45 N ATOM 255 CA LYS A 19 -6.419 -15.325 -22.418 1.00 44.21 C ATOM 256 C LYS A 19 -5.575 -15.721 -21.210 1.00 43.12 C ATOM 257 O LYS A 19 -5.764 -15.202 -20.110 1.00 22.52 O ATOM 258 CB LYS A 19 -7.350 -16.477 -22.801 1.00 42.21 C ATOM 259 CG LYS A 19 -8.586 -16.578 -21.924 1.00 0.44 C ATOM 260 CD LYS A 19 -8.458 -17.698 -20.906 1.00 30.12 C ATOM 261 CE LYS A 19 -8.447 -19.063 -21.576 1.00 54.50 C ATOM 262 NZ LYS A 19 -8.618 -20.167 -20.591 1.00 12.14 N ATOM 0 H LYS A 19 -5.785 -15.463 -24.411 1.00 34.45 H new ATOM 0 HA LYS A 19 -7.018 -14.454 -22.151 1.00 44.21 H new ATOM 0 HB2 LYS A 19 -7.660 -16.353 -23.838 1.00 42.21 H new ATOM 0 HB3 LYS A 19 -6.797 -17.414 -22.744 1.00 42.21 H new ATOM 0 HG2 LYS A 19 -8.744 -15.632 -21.407 1.00 0.44 H new ATOM 0 HG3 LYS A 19 -9.463 -16.751 -22.548 1.00 0.44 H new ATOM 0 HD2 LYS A 19 -7.541 -17.566 -20.332 1.00 30.12 H new ATOM 0 HD3 LYS A 19 -9.286 -17.645 -20.200 1.00 30.12 H new ATOM 0 HE2 LYS A 19 -9.245 -19.110 -22.316 1.00 54.50 H new ATOM 0 HE3 LYS A 19 -7.507 -19.197 -22.112 1.00 54.50 H new ATOM 0 HZ1 LYS A 19 -8.605 -21.081 -21.088 1.00 12.14 H new ATOM 0 HZ2 LYS A 19 -7.842 -20.138 -19.899 1.00 12.14 H new ATOM 0 HZ3 LYS A 19 -9.526 -20.054 -20.097 1.00 12.14 H new ATOM 276 N LYS A 20 -4.640 -16.641 -21.424 1.00 34.44 N ATOM 277 CA LYS A 20 -3.763 -17.104 -20.355 1.00 13.54 C ATOM 278 C LYS A 20 -2.954 -15.949 -19.776 1.00 54.33 C ATOM 279 O LYS A 20 -2.818 -15.822 -18.559 1.00 71.32 O ATOM 280 CB LYS A 20 -2.820 -18.191 -20.876 1.00 51.40 C ATOM 281 CG LYS A 20 -3.541 -19.374 -21.499 1.00 41.13 C ATOM 282 CD LYS A 20 -2.635 -20.591 -21.596 1.00 21.45 C ATOM 283 CE LYS A 20 -2.712 -21.445 -20.341 1.00 33.50 C ATOM 284 NZ LYS A 20 -3.956 -22.263 -20.303 1.00 30.33 N ATOM 0 H LYS A 20 -4.470 -17.081 -22.329 1.00 34.44 H new ATOM 0 HA LYS A 20 -4.386 -17.521 -19.563 1.00 13.54 H new ATOM 0 HB2 LYS A 20 -2.149 -17.754 -21.616 1.00 51.40 H new ATOM 0 HB3 LYS A 20 -2.199 -18.547 -20.054 1.00 51.40 H new ATOM 0 HG2 LYS A 20 -4.420 -19.620 -20.904 1.00 41.13 H new ATOM 0 HG3 LYS A 20 -3.895 -19.103 -22.493 1.00 41.13 H new ATOM 0 HD2 LYS A 20 -2.919 -21.189 -22.462 1.00 21.45 H new ATOM 0 HD3 LYS A 20 -1.606 -20.268 -21.755 1.00 21.45 H new ATOM 0 HE2 LYS A 20 -1.844 -22.102 -20.295 1.00 33.50 H new ATOM 0 HE3 LYS A 20 -2.673 -20.803 -19.461 1.00 33.50 H new ATOM 0 HZ1 LYS A 20 -4.231 -22.431 -19.314 1.00 30.33 H new ATOM 0 HZ2 LYS A 20 -4.720 -21.756 -20.793 1.00 30.33 H new ATOM 0 HZ3 LYS A 20 -3.787 -23.174 -20.775 1.00 30.33 H new ATOM 298 N ALA A 21 -2.420 -15.107 -20.654 1.00 53.12 N ATOM 299 CA ALA A 21 -1.627 -13.960 -20.229 1.00 1.22 C ATOM 300 C ALA A 21 -2.438 -13.036 -19.327 1.00 43.50 C ATOM 301 O ALA A 21 -1.972 -12.623 -18.265 1.00 22.15 O ATOM 302 CB ALA A 21 -1.110 -13.198 -21.441 1.00 20.30 C ATOM 0 H ALA A 21 -2.522 -15.198 -21.665 1.00 53.12 H new ATOM 0 HA ALA A 21 -0.777 -14.329 -19.656 1.00 1.22 H new ATOM 0 HB1 ALA A 21 -0.520 -12.344 -21.109 1.00 20.30 H new ATOM 0 HB2 ALA A 21 -0.487 -13.857 -22.046 1.00 20.30 H new ATOM 0 HB3 ALA A 21 -1.953 -12.847 -22.037 1.00 20.30 H new ATOM 308 N ARG A 22 -3.654 -12.714 -19.758 1.00 25.34 N ATOM 309 CA ARG A 22 -4.529 -11.836 -18.990 1.00 62.34 C ATOM 310 C ARG A 22 -4.817 -12.426 -17.612 1.00 32.15 C ATOM 311 O ARG A 22 -4.692 -11.743 -16.596 1.00 70.51 O ATOM 312 CB ARG A 22 -5.842 -11.605 -19.742 1.00 44.13 C ATOM 313 CG ARG A 22 -5.674 -10.818 -21.032 1.00 55.33 C ATOM 314 CD ARG A 22 -6.931 -10.031 -21.371 1.00 32.33 C ATOM 315 NE ARG A 22 -7.517 -10.456 -22.638 1.00 60.44 N ATOM 316 CZ ARG A 22 -8.254 -11.553 -22.776 1.00 11.23 C ATOM 317 NH1 ARG A 22 -8.492 -12.331 -21.729 1.00 3.41 N ATOM 318 NH2 ARG A 22 -8.753 -11.874 -23.963 1.00 10.54 N ATOM 0 H ARG A 22 -4.055 -13.048 -20.634 1.00 25.34 H new ATOM 0 HA ARG A 22 -4.020 -10.881 -18.859 1.00 62.34 H new ATOM 0 HB2 ARG A 22 -6.294 -12.570 -19.971 1.00 44.13 H new ATOM 0 HB3 ARG A 22 -6.536 -11.074 -19.090 1.00 44.13 H new ATOM 0 HG2 ARG A 22 -4.830 -10.135 -20.936 1.00 55.33 H new ATOM 0 HG3 ARG A 22 -5.439 -11.501 -21.848 1.00 55.33 H new ATOM 0 HD2 ARG A 22 -7.663 -10.156 -20.573 1.00 32.33 H new ATOM 0 HD3 ARG A 22 -6.691 -8.969 -21.421 1.00 32.33 H new ATOM 0 HE ARG A 22 -7.352 -9.879 -23.463 1.00 60.44 H new ATOM 0 HH11 ARG A 22 -8.109 -12.088 -20.815 1.00 3.41 H new ATOM 0 HH12 ARG A 22 -9.058 -13.173 -21.837 1.00 3.41 H new ATOM 0 HH21 ARG A 22 -8.571 -11.278 -24.771 1.00 10.54 H new ATOM 0 HH22 ARG A 22 -9.319 -12.716 -24.068 1.00 10.54 H new ATOM 332 N ILE A 23 -5.203 -13.698 -17.587 1.00 34.41 N ATOM 333 CA ILE A 23 -5.508 -14.378 -16.336 1.00 74.45 C ATOM 334 C ILE A 23 -4.291 -14.411 -15.417 1.00 44.23 C ATOM 335 O ILE A 23 -4.420 -14.327 -14.196 1.00 42.13 O ATOM 336 CB ILE A 23 -5.990 -15.820 -16.581 1.00 2.43 C ATOM 337 CG1 ILE A 23 -7.292 -15.816 -17.386 1.00 24.30 C ATOM 338 CG2 ILE A 23 -6.181 -16.548 -15.259 1.00 3.12 C ATOM 339 CD1 ILE A 23 -7.751 -17.196 -17.798 1.00 52.43 C ATOM 0 H ILE A 23 -5.312 -14.277 -18.420 1.00 34.41 H new ATOM 0 HA ILE A 23 -6.308 -13.813 -15.857 1.00 74.45 H new ATOM 0 HB ILE A 23 -5.230 -16.348 -17.157 1.00 2.43 H new ATOM 0 HG12 ILE A 23 -8.075 -15.343 -16.793 1.00 24.30 H new ATOM 0 HG13 ILE A 23 -7.156 -15.206 -18.279 1.00 24.30 H new ATOM 0 HG21 ILE A 23 -6.522 -17.566 -15.450 1.00 3.12 H new ATOM 0 HG22 ILE A 23 -5.234 -16.578 -14.720 1.00 3.12 H new ATOM 0 HG23 ILE A 23 -6.924 -16.023 -14.659 1.00 3.12 H new ATOM 0 HD11 ILE A 23 -8.679 -17.117 -18.365 1.00 52.43 H new ATOM 0 HD12 ILE A 23 -6.986 -17.664 -18.418 1.00 52.43 H new ATOM 0 HD13 ILE A 23 -7.919 -17.804 -16.909 1.00 52.43 H new ATOM 351 N TRP A 24 -3.111 -14.531 -16.013 1.00 31.51 N ATOM 352 CA TRP A 24 -1.869 -14.573 -15.249 1.00 62.05 C ATOM 353 C TRP A 24 -1.563 -13.212 -14.632 1.00 74.25 C ATOM 354 O TRP A 24 -1.129 -13.124 -13.482 1.00 4.31 O ATOM 355 CB TRP A 24 -0.709 -15.013 -16.144 1.00 3.42 C ATOM 356 CG TRP A 24 0.321 -15.827 -15.421 1.00 50.22 C ATOM 357 CD1 TRP A 24 0.516 -17.176 -15.520 1.00 42.14 C ATOM 358 CD2 TRP A 24 1.297 -15.346 -14.491 1.00 0.54 C ATOM 359 NE1 TRP A 24 1.554 -17.561 -14.706 1.00 71.32 N ATOM 360 CE2 TRP A 24 2.050 -16.457 -14.065 1.00 44.32 C ATOM 361 CE3 TRP A 24 1.609 -14.084 -13.978 1.00 41.34 C ATOM 362 CZ2 TRP A 24 3.093 -16.342 -13.149 1.00 65.40 C ATOM 363 CZ3 TRP A 24 2.644 -13.971 -13.069 1.00 2.15 C ATOM 364 CH2 TRP A 24 3.377 -15.094 -12.664 1.00 64.41 C ATOM 0 H TRP A 24 -2.987 -14.601 -17.023 1.00 31.51 H new ATOM 0 HA TRP A 24 -1.992 -15.297 -14.444 1.00 62.05 H new ATOM 0 HB2 TRP A 24 -1.103 -15.595 -16.977 1.00 3.42 H new ATOM 0 HB3 TRP A 24 -0.232 -14.130 -16.569 1.00 3.42 H new ATOM 0 HD1 TRP A 24 -0.061 -17.841 -16.146 1.00 42.14 H new ATOM 0 HE1 TRP A 24 1.899 -18.515 -14.597 1.00 71.32 H new ATOM 0 HE3 TRP A 24 1.051 -13.212 -14.286 1.00 41.34 H new ATOM 0 HZ2 TRP A 24 3.657 -17.207 -12.833 1.00 65.40 H new ATOM 0 HZ3 TRP A 24 2.892 -13.001 -12.664 1.00 2.15 H new ATOM 0 HH2 TRP A 24 4.182 -14.973 -11.955 1.00 64.41 H new ATOM 375 N LEU A 25 -1.792 -12.154 -15.401 1.00 11.33 N ATOM 376 CA LEU A 25 -1.542 -10.797 -14.930 1.00 44.32 C ATOM 377 C LEU A 25 -2.552 -10.396 -13.859 1.00 51.32 C ATOM 378 O LEU A 25 -2.179 -9.922 -12.787 1.00 43.22 O ATOM 379 CB LEU A 25 -1.602 -9.811 -16.098 1.00 70.24 C ATOM 380 CG LEU A 25 -0.276 -9.524 -16.803 1.00 60.23 C ATOM 381 CD1 LEU A 25 0.700 -8.851 -15.851 1.00 21.14 C ATOM 382 CD2 LEU A 25 0.320 -10.808 -17.362 1.00 3.23 C ATOM 0 H LEU A 25 -2.151 -12.210 -16.354 1.00 11.33 H new ATOM 0 HA LEU A 25 -0.545 -10.770 -14.491 1.00 44.32 H new ATOM 0 HB2 LEU A 25 -2.307 -10.195 -16.835 1.00 70.24 H new ATOM 0 HB3 LEU A 25 -2.007 -8.868 -15.731 1.00 70.24 H new ATOM 0 HG LEU A 25 -0.468 -8.845 -17.634 1.00 60.23 H new ATOM 0 HD11 LEU A 25 1.638 -8.655 -16.370 1.00 21.14 H new ATOM 0 HD12 LEU A 25 0.276 -7.910 -15.500 1.00 21.14 H new ATOM 0 HD13 LEU A 25 0.887 -9.505 -14.999 1.00 21.14 H new ATOM 0 HD21 LEU A 25 1.263 -10.584 -17.860 1.00 3.23 H new ATOM 0 HD22 LEU A 25 0.497 -11.511 -16.548 1.00 3.23 H new ATOM 0 HD23 LEU A 25 -0.373 -11.249 -18.078 1.00 3.23 H new ATOM 394 N GLU A 26 -3.833 -10.594 -14.158 1.00 61.23 N ATOM 395 CA GLU A 26 -4.896 -10.255 -13.220 1.00 64.31 C ATOM 396 C GLU A 26 -4.778 -11.080 -11.942 1.00 74.22 C ATOM 397 O GLU A 26 -5.070 -10.596 -10.849 1.00 53.23 O ATOM 398 CB GLU A 26 -6.266 -10.483 -13.864 1.00 32.45 C ATOM 399 CG GLU A 26 -6.602 -11.949 -14.075 1.00 31.13 C ATOM 400 CD GLU A 26 -7.260 -12.578 -12.862 1.00 44.21 C ATOM 401 OE1 GLU A 26 -8.266 -12.019 -12.376 1.00 61.24 O ATOM 402 OE2 GLU A 26 -6.769 -13.628 -12.399 1.00 13.03 O ATOM 0 H GLU A 26 -4.158 -10.987 -15.041 1.00 61.23 H new ATOM 0 HA GLU A 26 -4.795 -9.201 -12.961 1.00 64.31 H new ATOM 0 HB2 GLU A 26 -7.033 -10.030 -13.236 1.00 32.45 H new ATOM 0 HB3 GLU A 26 -6.296 -9.970 -14.825 1.00 32.45 H new ATOM 0 HG2 GLU A 26 -7.265 -12.046 -14.934 1.00 31.13 H new ATOM 0 HG3 GLU A 26 -5.690 -12.496 -14.313 1.00 31.13 H new ATOM 409 N ASP A 27 -4.348 -12.328 -12.090 1.00 34.31 N ATOM 410 CA ASP A 27 -4.190 -13.222 -10.947 1.00 72.41 C ATOM 411 C ASP A 27 -3.036 -12.770 -10.059 1.00 33.14 C ATOM 412 O ASP A 27 -3.166 -12.706 -8.837 1.00 3.11 O ATOM 413 CB ASP A 27 -3.954 -14.656 -11.424 1.00 42.32 C ATOM 414 CG ASP A 27 -3.421 -15.552 -10.323 1.00 63.52 C ATOM 415 OD1 ASP A 27 -4.236 -16.049 -9.517 1.00 71.12 O ATOM 416 OD2 ASP A 27 -2.191 -15.757 -10.268 1.00 45.10 O ATOM 0 H ASP A 27 -4.103 -12.744 -12.988 1.00 34.31 H new ATOM 0 HA ASP A 27 -5.108 -13.189 -10.361 1.00 72.41 H new ATOM 0 HB2 ASP A 27 -4.889 -15.068 -11.803 1.00 42.32 H new ATOM 0 HB3 ASP A 27 -3.249 -14.648 -12.255 1.00 42.32 H new ATOM 421 N HIS A 28 -1.903 -12.461 -10.683 1.00 21.13 N ATOM 422 CA HIS A 28 -0.723 -12.015 -9.948 1.00 13.54 C ATOM 423 C HIS A 28 -0.971 -10.661 -9.291 1.00 43.42 C ATOM 424 O HIS A 28 -0.231 -10.247 -8.401 1.00 0.32 O ATOM 425 CB HIS A 28 0.483 -11.929 -10.884 1.00 14.43 C ATOM 426 CG HIS A 28 1.798 -11.945 -10.168 1.00 55.54 C ATOM 427 ND1 HIS A 28 2.614 -10.839 -10.066 1.00 12.03 N ATOM 428 CD2 HIS A 28 2.438 -12.944 -9.515 1.00 71.45 C ATOM 429 CE1 HIS A 28 3.700 -11.156 -9.383 1.00 24.52 C ATOM 430 NE2 HIS A 28 3.617 -12.427 -9.036 1.00 21.13 N ATOM 0 H HIS A 28 -1.777 -12.511 -11.694 1.00 21.13 H new ATOM 0 HA HIS A 28 -0.515 -12.745 -9.165 1.00 13.54 H new ATOM 0 HB2 HIS A 28 0.450 -12.764 -11.584 1.00 14.43 H new ATOM 0 HB3 HIS A 28 0.411 -11.015 -11.474 1.00 14.43 H new ATOM 0 HD2 HIS A 28 2.087 -13.958 -9.394 1.00 71.45 H new ATOM 0 HE1 HIS A 28 4.516 -10.489 -9.149 1.00 24.52 H new ATOM 0 HE2 HIS A 28 4.315 -12.942 -8.499 1.00 21.13 H new ATOM 438 N GLY A 29 -2.019 -9.975 -9.738 1.00 43.32 N ATOM 439 CA GLY A 29 -2.345 -8.674 -9.183 1.00 61.30 C ATOM 440 C GLY A 29 -1.495 -7.564 -9.770 1.00 13.24 C ATOM 441 O GLY A 29 -1.048 -6.670 -9.052 1.00 52.32 O ATOM 0 H GLY A 29 -2.648 -10.297 -10.474 1.00 43.32 H new ATOM 0 HA2 GLY A 29 -3.397 -8.457 -9.367 1.00 61.30 H new ATOM 0 HA3 GLY A 29 -2.209 -8.699 -8.102 1.00 61.30 H new ATOM 445 N ILE A 30 -1.271 -7.621 -11.078 1.00 54.44 N ATOM 446 CA ILE A 30 -0.469 -6.613 -11.761 1.00 74.22 C ATOM 447 C ILE A 30 -1.352 -5.630 -12.522 1.00 61.31 C ATOM 448 O ILE A 30 -2.338 -6.021 -13.147 1.00 14.22 O ATOM 449 CB ILE A 30 0.528 -7.256 -12.743 1.00 33.02 C ATOM 450 CG1 ILE A 30 1.511 -8.155 -11.990 1.00 74.32 C ATOM 451 CG2 ILE A 30 1.273 -6.182 -13.520 1.00 52.12 C ATOM 452 CD1 ILE A 30 2.306 -9.072 -12.893 1.00 25.45 C ATOM 0 H ILE A 30 -1.634 -8.355 -11.687 1.00 54.44 H new ATOM 0 HA ILE A 30 0.086 -6.078 -10.991 1.00 74.22 H new ATOM 0 HB ILE A 30 -0.027 -7.870 -13.452 1.00 33.02 H new ATOM 0 HG12 ILE A 30 2.201 -7.530 -11.423 1.00 74.32 H new ATOM 0 HG13 ILE A 30 0.960 -8.758 -11.268 1.00 74.32 H new ATOM 0 HG21 ILE A 30 1.974 -6.652 -14.210 1.00 52.12 H new ATOM 0 HG22 ILE A 30 0.560 -5.579 -14.082 1.00 52.12 H new ATOM 0 HG23 ILE A 30 1.820 -5.544 -12.826 1.00 52.12 H new ATOM 0 HD11 ILE A 30 2.982 -9.679 -12.291 1.00 25.45 H new ATOM 0 HD12 ILE A 30 1.625 -9.723 -13.442 1.00 25.45 H new ATOM 0 HD13 ILE A 30 2.885 -8.476 -13.598 1.00 25.45 H new ATOM 464 N ASP A 31 -0.991 -4.353 -12.465 1.00 75.12 N ATOM 465 CA ASP A 31 -1.749 -3.313 -13.152 1.00 21.24 C ATOM 466 C ASP A 31 -1.373 -3.252 -14.629 1.00 75.12 C ATOM 467 O ASP A 31 -0.194 -3.203 -14.979 1.00 63.43 O ATOM 468 CB ASP A 31 -1.504 -1.954 -12.494 1.00 24.41 C ATOM 469 CG ASP A 31 -2.503 -0.906 -12.940 1.00 12.42 C ATOM 470 OD1 ASP A 31 -2.869 -0.905 -14.134 1.00 60.30 O ATOM 471 OD2 ASP A 31 -2.919 -0.085 -12.095 1.00 24.32 O ATOM 0 H ASP A 31 -0.179 -4.013 -11.951 1.00 75.12 H new ATOM 0 HA ASP A 31 -2.808 -3.559 -13.075 1.00 21.24 H new ATOM 0 HB2 ASP A 31 -1.556 -2.064 -11.411 1.00 24.41 H new ATOM 0 HB3 ASP A 31 -0.496 -1.615 -12.732 1.00 24.41 H new ATOM 476 N TYR A 32 -2.383 -3.256 -15.492 1.00 1.34 N ATOM 477 CA TYR A 32 -2.159 -3.205 -16.932 1.00 14.55 C ATOM 478 C TYR A 32 -3.478 -3.055 -17.684 1.00 23.04 C ATOM 479 O TYR A 32 -4.459 -3.735 -17.382 1.00 43.04 O ATOM 480 CB TYR A 32 -1.431 -4.466 -17.400 1.00 44.01 C ATOM 481 CG TYR A 32 -2.326 -5.680 -17.499 1.00 2.43 C ATOM 482 CD1 TYR A 32 -3.037 -6.134 -16.395 1.00 2.21 C ATOM 483 CD2 TYR A 32 -2.460 -6.373 -18.695 1.00 41.42 C ATOM 484 CE1 TYR A 32 -3.856 -7.244 -16.481 1.00 1.10 C ATOM 485 CE2 TYR A 32 -3.277 -7.483 -18.791 1.00 0.12 C ATOM 486 CZ TYR A 32 -3.972 -7.915 -17.680 1.00 70.01 C ATOM 487 OH TYR A 32 -4.787 -9.020 -17.771 1.00 34.31 O ATOM 0 H TYR A 32 -3.365 -3.294 -15.219 1.00 1.34 H new ATOM 0 HA TYR A 32 -1.539 -2.335 -17.148 1.00 14.55 H new ATOM 0 HB2 TYR A 32 -0.982 -4.276 -18.375 1.00 44.01 H new ATOM 0 HB3 TYR A 32 -0.615 -4.682 -16.710 1.00 44.01 H new ATOM 0 HD1 TYR A 32 -2.948 -5.611 -15.454 1.00 2.21 H new ATOM 0 HD2 TYR A 32 -1.916 -6.038 -19.566 1.00 41.42 H new ATOM 0 HE1 TYR A 32 -4.402 -7.584 -15.614 1.00 1.10 H new ATOM 0 HE2 TYR A 32 -3.371 -8.009 -19.729 1.00 0.12 H new ATOM 0 HH TYR A 32 -4.441 -9.730 -17.191 1.00 34.31 H new ATOM 497 N THR A 33 -3.493 -2.161 -18.667 1.00 12.42 N ATOM 498 CA THR A 33 -4.689 -1.921 -19.463 1.00 70.00 C ATOM 499 C THR A 33 -4.712 -2.809 -20.703 1.00 44.51 C ATOM 500 O THR A 33 -3.706 -2.948 -21.397 1.00 22.54 O ATOM 501 CB THR A 33 -4.788 -0.447 -19.899 1.00 0.30 C ATOM 502 OG1 THR A 33 -4.842 0.402 -18.748 1.00 62.20 O ATOM 503 CG2 THR A 33 -6.020 -0.219 -20.763 1.00 52.41 C ATOM 0 H THR A 33 -2.689 -1.591 -18.931 1.00 12.42 H new ATOM 0 HA THR A 33 -5.543 -2.163 -18.830 1.00 70.00 H new ATOM 0 HB THR A 33 -3.902 -0.205 -20.487 1.00 0.30 H new ATOM 0 HG1 THR A 33 -4.903 1.337 -19.034 1.00 62.20 H new ATOM 0 HG21 THR A 33 -6.068 0.829 -21.058 1.00 52.41 H new ATOM 0 HG22 THR A 33 -5.961 -0.845 -21.654 1.00 52.41 H new ATOM 0 HG23 THR A 33 -6.915 -0.478 -20.197 1.00 52.41 H new ATOM 511 N PHE A 34 -5.867 -3.405 -20.975 1.00 20.02 N ATOM 512 CA PHE A 34 -6.022 -4.281 -22.132 1.00 51.35 C ATOM 513 C PHE A 34 -6.302 -3.469 -23.394 1.00 63.42 C ATOM 514 O PHE A 34 -7.378 -2.889 -23.545 1.00 51.44 O ATOM 515 CB PHE A 34 -7.153 -5.283 -21.893 1.00 74.40 C ATOM 516 CG PHE A 34 -7.412 -6.185 -23.066 1.00 73.23 C ATOM 517 CD1 PHE A 34 -6.362 -6.798 -23.730 1.00 15.04 C ATOM 518 CD2 PHE A 34 -8.705 -6.419 -23.505 1.00 54.34 C ATOM 519 CE1 PHE A 34 -6.597 -7.630 -24.809 1.00 11.43 C ATOM 520 CE2 PHE A 34 -8.947 -7.250 -24.582 1.00 31.14 C ATOM 521 CZ PHE A 34 -7.890 -7.855 -25.236 1.00 71.33 C ATOM 0 H PHE A 34 -6.710 -3.298 -20.411 1.00 20.02 H new ATOM 0 HA PHE A 34 -5.089 -4.826 -22.272 1.00 51.35 H new ATOM 0 HB2 PHE A 34 -6.910 -5.893 -21.023 1.00 74.40 H new ATOM 0 HB3 PHE A 34 -8.066 -4.738 -21.655 1.00 74.40 H new ATOM 0 HD1 PHE A 34 -5.348 -6.624 -23.401 1.00 15.04 H new ATOM 0 HD2 PHE A 34 -9.534 -5.946 -22.999 1.00 54.34 H new ATOM 0 HE1 PHE A 34 -5.770 -8.103 -25.317 1.00 11.43 H new ATOM 0 HE2 PHE A 34 -9.960 -7.427 -24.912 1.00 31.14 H new ATOM 0 HZ PHE A 34 -8.076 -8.503 -26.080 1.00 71.33 H new ATOM 531 N HIS A 35 -5.328 -3.434 -24.297 1.00 30.12 N ATOM 532 CA HIS A 35 -5.470 -2.696 -25.546 1.00 4.21 C ATOM 533 C HIS A 35 -5.414 -3.638 -26.745 1.00 71.42 C ATOM 534 O HIS A 35 -4.450 -4.383 -26.916 1.00 23.35 O ATOM 535 CB HIS A 35 -4.374 -1.637 -25.664 1.00 32.13 C ATOM 536 CG HIS A 35 -4.790 -0.286 -25.169 1.00 2.30 C ATOM 537 ND1 HIS A 35 -4.023 0.848 -25.340 1.00 73.35 N ATOM 538 CD2 HIS A 35 -5.902 0.111 -24.506 1.00 54.12 C ATOM 539 CE1 HIS A 35 -4.645 1.882 -24.803 1.00 51.22 C ATOM 540 NE2 HIS A 35 -5.787 1.462 -24.290 1.00 32.22 N ATOM 0 H HIS A 35 -4.432 -3.908 -24.187 1.00 30.12 H new ATOM 0 HA HIS A 35 -6.442 -2.204 -25.539 1.00 4.21 H new ATOM 0 HB2 HIS A 35 -3.500 -1.967 -25.103 1.00 32.13 H new ATOM 0 HB3 HIS A 35 -4.071 -1.555 -26.708 1.00 32.13 H new ATOM 0 HD2 HIS A 35 -6.726 -0.518 -24.203 1.00 54.12 H new ATOM 0 HE1 HIS A 35 -4.281 2.899 -24.786 1.00 51.22 H new ATOM 0 HE2 HIS A 35 -6.472 2.046 -23.811 1.00 32.22 H new ATOM 548 N ASP A 36 -6.455 -3.600 -27.570 1.00 25.23 N ATOM 549 CA ASP A 36 -6.524 -4.450 -28.753 1.00 42.21 C ATOM 550 C ASP A 36 -5.974 -3.724 -29.977 1.00 1.23 C ATOM 551 O ASP A 36 -6.073 -2.502 -30.081 1.00 31.51 O ATOM 552 CB ASP A 36 -7.967 -4.888 -29.008 1.00 24.32 C ATOM 553 CG ASP A 36 -8.293 -6.216 -28.354 1.00 34.45 C ATOM 554 OD1 ASP A 36 -7.389 -7.070 -28.264 1.00 21.31 O ATOM 555 OD2 ASP A 36 -9.456 -6.401 -27.933 1.00 70.42 O ATOM 0 H ASP A 36 -7.262 -2.990 -27.441 1.00 25.23 H new ATOM 0 HA ASP A 36 -5.911 -5.333 -28.573 1.00 42.21 H new ATOM 0 HB2 ASP A 36 -8.647 -4.124 -28.631 1.00 24.32 H new ATOM 0 HB3 ASP A 36 -8.136 -4.964 -30.082 1.00 24.32 H new ATOM 560 N TYR A 37 -5.397 -4.485 -30.900 1.00 30.14 N ATOM 561 CA TYR A 37 -4.828 -3.914 -32.115 1.00 33.02 C ATOM 562 C TYR A 37 -5.928 -3.419 -33.050 1.00 52.25 C ATOM 563 O TYR A 37 -5.853 -2.312 -33.585 1.00 44.22 O ATOM 564 CB TYR A 37 -3.962 -4.949 -32.833 1.00 4.33 C ATOM 565 CG TYR A 37 -2.562 -5.061 -32.272 1.00 34.33 C ATOM 566 CD1 TYR A 37 -1.748 -3.941 -32.153 1.00 30.14 C ATOM 567 CD2 TYR A 37 -2.052 -6.287 -31.861 1.00 74.22 C ATOM 568 CE1 TYR A 37 -0.469 -4.038 -31.641 1.00 74.45 C ATOM 569 CE2 TYR A 37 -0.774 -6.393 -31.348 1.00 34.11 C ATOM 570 CZ TYR A 37 0.014 -5.266 -31.240 1.00 12.12 C ATOM 571 OH TYR A 37 1.288 -5.366 -30.730 1.00 41.03 O ATOM 0 H TYR A 37 -5.311 -5.499 -30.830 1.00 30.14 H new ATOM 0 HA TYR A 37 -4.207 -3.065 -31.831 1.00 33.02 H new ATOM 0 HB2 TYR A 37 -4.448 -5.923 -32.771 1.00 4.33 H new ATOM 0 HB3 TYR A 37 -3.901 -4.689 -33.890 1.00 4.33 H new ATOM 0 HD1 TYR A 37 -2.122 -2.978 -32.466 1.00 30.14 H new ATOM 0 HD2 TYR A 37 -2.666 -7.172 -31.944 1.00 74.22 H new ATOM 0 HE1 TYR A 37 0.150 -3.157 -31.555 1.00 74.45 H new ATOM 0 HE2 TYR A 37 -0.394 -7.353 -31.033 1.00 34.11 H new ATOM 0 HH TYR A 37 1.474 -6.299 -30.494 1.00 41.03 H new ATOM 581 N LYS A 38 -6.949 -4.246 -33.240 1.00 0.11 N ATOM 582 CA LYS A 38 -8.067 -3.894 -34.109 1.00 54.34 C ATOM 583 C LYS A 38 -9.008 -2.915 -33.414 1.00 63.30 C ATOM 584 O LYS A 38 -9.374 -1.883 -33.977 1.00 51.11 O ATOM 585 CB LYS A 38 -8.836 -5.152 -34.519 1.00 63.31 C ATOM 586 CG LYS A 38 -8.073 -6.042 -35.484 1.00 54.42 C ATOM 587 CD LYS A 38 -8.744 -7.397 -35.643 1.00 63.40 C ATOM 588 CE LYS A 38 -9.840 -7.356 -36.697 1.00 74.30 C ATOM 589 NZ LYS A 38 -9.287 -7.461 -38.076 1.00 30.43 N ATOM 0 H LYS A 38 -7.027 -5.165 -32.804 1.00 0.11 H new ATOM 0 HA LYS A 38 -7.665 -3.414 -35.001 1.00 54.34 H new ATOM 0 HB2 LYS A 38 -9.081 -5.725 -33.625 1.00 63.31 H new ATOM 0 HB3 LYS A 38 -9.780 -4.858 -34.978 1.00 63.31 H new ATOM 0 HG2 LYS A 38 -8.005 -5.552 -36.456 1.00 54.42 H new ATOM 0 HG3 LYS A 38 -7.053 -6.180 -35.124 1.00 54.42 H new ATOM 0 HD2 LYS A 38 -7.999 -8.143 -35.920 1.00 63.40 H new ATOM 0 HD3 LYS A 38 -9.167 -7.709 -34.688 1.00 63.40 H new ATOM 0 HE2 LYS A 38 -10.541 -8.172 -36.524 1.00 74.30 H new ATOM 0 HE3 LYS A 38 -10.402 -6.427 -36.601 1.00 74.30 H new ATOM 0 HZ1 LYS A 38 -10.065 -7.429 -38.765 1.00 30.43 H new ATOM 0 HZ2 LYS A 38 -8.637 -6.668 -38.251 1.00 30.43 H new ATOM 0 HZ3 LYS A 38 -8.772 -8.359 -38.176 1.00 30.43 H new ATOM 603 N LYS A 39 -9.396 -3.243 -32.186 1.00 13.11 N ATOM 604 CA LYS A 39 -10.292 -2.392 -31.412 1.00 43.13 C ATOM 605 C LYS A 39 -9.743 -0.973 -31.314 1.00 2.14 C ATOM 606 O LYS A 39 -10.466 -0.002 -31.540 1.00 41.33 O ATOM 607 CB LYS A 39 -10.494 -2.971 -30.010 1.00 74.40 C ATOM 608 CG LYS A 39 -11.819 -2.582 -29.377 1.00 14.42 C ATOM 609 CD LYS A 39 -11.724 -1.246 -28.662 1.00 32.52 C ATOM 610 CE LYS A 39 -10.974 -1.370 -27.344 1.00 13.12 C ATOM 611 NZ LYS A 39 -10.538 -0.043 -26.826 1.00 4.24 N ATOM 0 H LYS A 39 -9.103 -4.093 -31.705 1.00 13.11 H new ATOM 0 HA LYS A 39 -11.253 -2.356 -31.925 1.00 43.13 H new ATOM 0 HB2 LYS A 39 -10.431 -4.058 -30.062 1.00 74.40 H new ATOM 0 HB3 LYS A 39 -9.681 -2.635 -29.367 1.00 74.40 H new ATOM 0 HG2 LYS A 39 -12.589 -2.530 -30.146 1.00 14.42 H new ATOM 0 HG3 LYS A 39 -12.126 -3.353 -28.670 1.00 14.42 H new ATOM 0 HD2 LYS A 39 -11.218 -0.524 -29.303 1.00 32.52 H new ATOM 0 HD3 LYS A 39 -12.726 -0.860 -28.476 1.00 32.52 H new ATOM 0 HE2 LYS A 39 -11.614 -1.855 -26.607 1.00 13.12 H new ATOM 0 HE3 LYS A 39 -10.103 -2.010 -27.481 1.00 13.12 H new ATOM 0 HZ1 LYS A 39 -10.031 -0.171 -25.927 1.00 4.24 H new ATOM 0 HZ2 LYS A 39 -9.907 0.410 -27.518 1.00 4.24 H new ATOM 0 HZ3 LYS A 39 -11.371 0.560 -26.671 1.00 4.24 H new ATOM 625 N GLU A 40 -8.463 -0.860 -30.978 1.00 43.23 N ATOM 626 CA GLU A 40 -7.819 0.442 -30.851 1.00 30.23 C ATOM 627 C GLU A 40 -7.401 0.978 -32.216 1.00 71.01 C ATOM 628 O GLU A 40 -7.290 2.188 -32.414 1.00 70.35 O ATOM 629 CB GLU A 40 -6.598 0.345 -29.934 1.00 33.12 C ATOM 630 CG GLU A 40 -6.261 1.648 -29.228 1.00 71.13 C ATOM 631 CD GLU A 40 -5.299 2.510 -30.020 1.00 51.30 C ATOM 632 OE1 GLU A 40 -4.115 2.130 -30.132 1.00 43.15 O ATOM 633 OE2 GLU A 40 -5.730 3.566 -30.529 1.00 11.55 O ATOM 0 H GLU A 40 -7.851 -1.654 -30.789 1.00 43.23 H new ATOM 0 HA GLU A 40 -8.539 1.133 -30.413 1.00 30.23 H new ATOM 0 HB2 GLU A 40 -6.776 -0.428 -29.186 1.00 33.12 H new ATOM 0 HB3 GLU A 40 -5.737 0.027 -30.522 1.00 33.12 H new ATOM 0 HG2 GLU A 40 -7.179 2.207 -29.048 1.00 71.13 H new ATOM 0 HG3 GLU A 40 -5.826 1.427 -28.253 1.00 71.13 H new ATOM 640 N GLY A 41 -7.170 0.068 -33.158 1.00 12.45 N ATOM 641 CA GLY A 41 -6.767 0.467 -34.494 1.00 0.44 C ATOM 642 C GLY A 41 -5.261 0.461 -34.671 1.00 54.13 C ATOM 643 O GLY A 41 -4.522 0.875 -33.777 1.00 32.21 O ATOM 0 H GLY A 41 -7.255 -0.939 -33.019 1.00 12.45 H new ATOM 0 HA2 GLY A 41 -7.218 -0.206 -35.223 1.00 0.44 H new ATOM 0 HA3 GLY A 41 -7.150 1.466 -34.703 1.00 0.44 H new ATOM 647 N LEU A 42 -4.805 -0.012 -35.825 1.00 61.22 N ATOM 648 CA LEU A 42 -3.376 -0.072 -36.116 1.00 32.11 C ATOM 649 C LEU A 42 -3.048 0.695 -37.394 1.00 60.11 C ATOM 650 O LEU A 42 -3.519 0.347 -38.476 1.00 61.12 O ATOM 651 CB LEU A 42 -2.925 -1.528 -36.252 1.00 31.00 C ATOM 652 CG LEU A 42 -1.465 -1.813 -35.897 1.00 10.43 C ATOM 653 CD1 LEU A 42 -0.532 -1.014 -36.793 1.00 61.11 C ATOM 654 CD2 LEU A 42 -1.200 -1.498 -34.432 1.00 25.43 C ATOM 0 H LEU A 42 -5.403 -0.360 -36.575 1.00 61.22 H new ATOM 0 HA LEU A 42 -2.841 0.393 -35.288 1.00 32.11 H new ATOM 0 HB2 LEU A 42 -3.560 -2.145 -35.616 1.00 31.00 H new ATOM 0 HB3 LEU A 42 -3.097 -1.847 -37.280 1.00 31.00 H new ATOM 0 HG LEU A 42 -1.272 -2.873 -36.060 1.00 10.43 H new ATOM 0 HD11 LEU A 42 0.502 -1.230 -36.526 1.00 61.11 H new ATOM 0 HD12 LEU A 42 -0.703 -1.289 -37.834 1.00 61.11 H new ATOM 0 HD13 LEU A 42 -0.726 0.051 -36.663 1.00 61.11 H new ATOM 0 HD21 LEU A 42 -0.156 -1.707 -34.198 1.00 25.43 H new ATOM 0 HD22 LEU A 42 -1.411 -0.446 -34.242 1.00 25.43 H new ATOM 0 HD23 LEU A 42 -1.843 -2.116 -33.805 1.00 25.43 H new ATOM 666 N ASP A 43 -2.237 1.738 -37.259 1.00 24.10 N ATOM 667 CA ASP A 43 -1.843 2.552 -38.401 1.00 33.24 C ATOM 668 C ASP A 43 -0.339 2.461 -38.641 1.00 21.14 C ATOM 669 O ASP A 43 0.408 1.987 -37.785 1.00 4.53 O ATOM 670 CB ASP A 43 -2.248 4.010 -38.180 1.00 14.14 C ATOM 671 CG ASP A 43 -2.041 4.459 -36.747 1.00 53.01 C ATOM 672 OD1 ASP A 43 -2.835 4.048 -35.877 1.00 52.23 O ATOM 673 OD2 ASP A 43 -1.083 5.220 -36.496 1.00 4.11 O ATOM 0 H ASP A 43 -1.840 2.039 -36.369 1.00 24.10 H new ATOM 0 HA ASP A 43 -2.358 2.169 -39.282 1.00 33.24 H new ATOM 0 HB2 ASP A 43 -1.668 4.650 -38.845 1.00 14.14 H new ATOM 0 HB3 ASP A 43 -3.296 4.137 -38.449 1.00 14.14 H new ATOM 678 N ALA A 44 0.098 2.917 -39.810 1.00 11.33 N ATOM 679 CA ALA A 44 1.512 2.887 -40.162 1.00 41.31 C ATOM 680 C ALA A 44 2.361 3.544 -39.078 1.00 2.35 C ATOM 681 O ALA A 44 3.433 3.048 -38.732 1.00 3.31 O ATOM 682 CB ALA A 44 1.738 3.575 -41.501 1.00 54.41 C ATOM 0 H ALA A 44 -0.507 3.312 -40.530 1.00 11.33 H new ATOM 0 HA ALA A 44 1.818 1.844 -40.246 1.00 41.31 H new ATOM 0 HB1 ALA A 44 2.799 3.545 -41.751 1.00 54.41 H new ATOM 0 HB2 ALA A 44 1.168 3.061 -42.275 1.00 54.41 H new ATOM 0 HB3 ALA A 44 1.410 4.612 -41.437 1.00 54.41 H new ATOM 688 N GLU A 45 1.875 4.662 -38.549 1.00 21.11 N ATOM 689 CA GLU A 45 2.591 5.387 -37.506 1.00 32.33 C ATOM 690 C GLU A 45 2.934 4.465 -36.341 1.00 22.11 C ATOM 691 O GLU A 45 4.081 4.407 -35.895 1.00 3.32 O ATOM 692 CB GLU A 45 1.754 6.568 -37.008 1.00 25.10 C ATOM 693 CG GLU A 45 2.584 7.693 -36.412 1.00 65.44 C ATOM 694 CD GLU A 45 1.733 8.748 -35.733 1.00 54.25 C ATOM 695 OE1 GLU A 45 0.553 8.463 -35.442 1.00 35.42 O ATOM 696 OE2 GLU A 45 2.248 9.860 -35.491 1.00 31.22 O ATOM 0 H GLU A 45 0.989 5.085 -38.825 1.00 21.11 H new ATOM 0 HA GLU A 45 3.520 5.765 -37.933 1.00 32.33 H new ATOM 0 HB2 GLU A 45 1.166 6.961 -37.837 1.00 25.10 H new ATOM 0 HB3 GLU A 45 1.048 6.212 -36.258 1.00 25.10 H new ATOM 0 HG2 GLU A 45 3.287 7.278 -35.689 1.00 65.44 H new ATOM 0 HG3 GLU A 45 3.175 8.160 -37.200 1.00 65.44 H new ATOM 703 N THR A 46 1.931 3.744 -35.848 1.00 73.34 N ATOM 704 CA THR A 46 2.125 2.826 -34.734 1.00 14.20 C ATOM 705 C THR A 46 3.063 1.687 -35.116 1.00 20.44 C ATOM 706 O THR A 46 4.009 1.378 -34.391 1.00 51.10 O ATOM 707 CB THR A 46 0.786 2.233 -34.255 1.00 72.32 C ATOM 708 OG1 THR A 46 -0.274 3.167 -34.489 1.00 61.33 O ATOM 709 CG2 THR A 46 0.847 1.887 -32.774 1.00 1.32 C ATOM 0 H THR A 46 0.976 3.779 -36.204 1.00 73.34 H new ATOM 0 HA THR A 46 2.570 3.403 -33.924 1.00 14.20 H new ATOM 0 HB THR A 46 0.595 1.319 -34.818 1.00 72.32 H new ATOM 0 HG1 THR A 46 -1.122 2.783 -34.184 1.00 61.33 H new ATOM 0 HG21 THR A 46 -0.109 1.470 -32.458 1.00 1.32 H new ATOM 0 HG22 THR A 46 1.636 1.155 -32.604 1.00 1.32 H new ATOM 0 HG23 THR A 46 1.058 2.788 -32.198 1.00 1.32 H new ATOM 717 N LEU A 47 2.797 1.066 -36.260 1.00 41.05 N ATOM 718 CA LEU A 47 3.618 -0.040 -36.739 1.00 30.54 C ATOM 719 C LEU A 47 5.086 0.367 -36.817 1.00 4.21 C ATOM 720 O LEU A 47 5.962 -0.332 -36.305 1.00 62.44 O ATOM 721 CB LEU A 47 3.133 -0.504 -38.114 1.00 40.43 C ATOM 722 CG LEU A 47 3.384 -1.973 -38.454 1.00 30.21 C ATOM 723 CD1 LEU A 47 4.876 -2.267 -38.483 1.00 72.53 C ATOM 724 CD2 LEU A 47 2.679 -2.879 -37.455 1.00 35.34 C ATOM 0 H LEU A 47 2.019 1.310 -36.873 1.00 41.05 H new ATOM 0 HA LEU A 47 3.524 -0.863 -36.031 1.00 30.54 H new ATOM 0 HB2 LEU A 47 2.062 -0.314 -38.182 1.00 40.43 H new ATOM 0 HB3 LEU A 47 3.615 0.111 -38.874 1.00 40.43 H new ATOM 0 HG LEU A 47 2.976 -2.172 -39.445 1.00 30.21 H new ATOM 0 HD11 LEU A 47 5.035 -3.317 -38.727 1.00 72.53 H new ATOM 0 HD12 LEU A 47 5.355 -1.643 -39.237 1.00 72.53 H new ATOM 0 HD13 LEU A 47 5.308 -2.052 -37.506 1.00 72.53 H new ATOM 0 HD21 LEU A 47 2.868 -3.921 -37.712 1.00 35.34 H new ATOM 0 HD22 LEU A 47 3.056 -2.678 -36.452 1.00 35.34 H new ATOM 0 HD23 LEU A 47 1.606 -2.687 -37.484 1.00 35.34 H new ATOM 736 N ASP A 48 5.348 1.500 -37.457 1.00 1.01 N ATOM 737 CA ASP A 48 6.710 2.003 -37.598 1.00 1.33 C ATOM 738 C ASP A 48 7.325 2.297 -36.233 1.00 4.12 C ATOM 739 O ASP A 48 8.481 1.959 -35.976 1.00 45.52 O ATOM 740 CB ASP A 48 6.724 3.264 -38.461 1.00 15.35 C ATOM 741 CG ASP A 48 8.055 3.475 -39.157 1.00 42.32 C ATOM 742 OD1 ASP A 48 8.323 2.769 -40.151 1.00 12.50 O ATOM 743 OD2 ASP A 48 8.827 4.348 -38.708 1.00 70.50 O ATOM 0 H ASP A 48 4.635 2.089 -37.887 1.00 1.01 H new ATOM 0 HA ASP A 48 7.307 1.233 -38.086 1.00 1.33 H new ATOM 0 HB2 ASP A 48 5.933 3.198 -39.208 1.00 15.35 H new ATOM 0 HB3 ASP A 48 6.502 4.130 -37.837 1.00 15.35 H new ATOM 748 N ARG A 49 6.545 2.930 -35.364 1.00 40.22 N ATOM 749 CA ARG A 49 7.013 3.272 -34.026 1.00 24.55 C ATOM 750 C ARG A 49 7.521 2.033 -33.293 1.00 53.00 C ATOM 751 O ARG A 49 8.592 2.053 -32.687 1.00 73.52 O ATOM 752 CB ARG A 49 5.891 3.929 -33.221 1.00 41.24 C ATOM 753 CG ARG A 49 6.386 4.748 -32.041 1.00 35.00 C ATOM 754 CD ARG A 49 5.288 4.958 -31.009 1.00 53.11 C ATOM 755 NE ARG A 49 4.486 6.143 -31.298 1.00 73.43 N ATOM 756 CZ ARG A 49 3.497 6.570 -30.520 1.00 12.33 C ATOM 757 NH1 ARG A 49 3.190 5.909 -29.411 1.00 1.45 N ATOM 758 NH2 ARG A 49 2.812 7.657 -30.850 1.00 21.11 N ATOM 0 H ARG A 49 5.586 3.217 -35.562 1.00 40.22 H new ATOM 0 HA ARG A 49 7.838 3.977 -34.128 1.00 24.55 H new ATOM 0 HB2 ARG A 49 5.311 4.573 -33.882 1.00 41.24 H new ATOM 0 HB3 ARG A 49 5.215 3.155 -32.857 1.00 41.24 H new ATOM 0 HG2 ARG A 49 7.232 4.243 -31.576 1.00 35.00 H new ATOM 0 HG3 ARG A 49 6.746 5.715 -32.393 1.00 35.00 H new ATOM 0 HD2 ARG A 49 4.642 4.080 -30.983 1.00 53.11 H new ATOM 0 HD3 ARG A 49 5.734 5.055 -30.019 1.00 53.11 H new ATOM 0 HE ARG A 49 4.696 6.673 -32.144 1.00 73.43 H new ATOM 0 HH11 ARG A 49 3.713 5.072 -29.155 1.00 1.45 H new ATOM 0 HH12 ARG A 49 2.431 6.238 -28.815 1.00 1.45 H new ATOM 0 HH21 ARG A 49 3.044 8.167 -31.702 1.00 21.11 H new ATOM 0 HH22 ARG A 49 2.053 7.983 -30.251 1.00 21.11 H new ATOM 772 N PHE A 50 6.743 0.957 -33.353 1.00 52.05 N ATOM 773 CA PHE A 50 7.112 -0.291 -32.695 1.00 23.30 C ATOM 774 C PHE A 50 8.257 -0.977 -33.434 1.00 71.14 C ATOM 775 O PHE A 50 9.084 -1.659 -32.826 1.00 40.10 O ATOM 776 CB PHE A 50 5.905 -1.228 -32.618 1.00 63.44 C ATOM 777 CG PHE A 50 4.903 -0.830 -31.572 1.00 22.12 C ATOM 778 CD1 PHE A 50 5.285 -0.683 -30.248 1.00 32.42 C ATOM 779 CD2 PHE A 50 3.579 -0.602 -31.913 1.00 14.32 C ATOM 780 CE1 PHE A 50 4.365 -0.318 -29.284 1.00 14.22 C ATOM 781 CE2 PHE A 50 2.655 -0.236 -30.953 1.00 41.31 C ATOM 782 CZ PHE A 50 3.049 -0.093 -29.637 1.00 24.45 C ATOM 0 H PHE A 50 5.853 0.924 -33.851 1.00 52.05 H new ATOM 0 HA PHE A 50 7.445 -0.055 -31.684 1.00 23.30 H new ATOM 0 HB2 PHE A 50 5.413 -1.254 -33.590 1.00 63.44 H new ATOM 0 HB3 PHE A 50 6.253 -2.240 -32.410 1.00 63.44 H new ATOM 0 HD1 PHE A 50 6.313 -0.856 -29.967 1.00 32.42 H new ATOM 0 HD2 PHE A 50 3.266 -0.712 -32.941 1.00 14.32 H new ATOM 0 HE1 PHE A 50 4.675 -0.209 -28.255 1.00 14.22 H new ATOM 0 HE2 PHE A 50 1.626 -0.062 -31.231 1.00 41.31 H new ATOM 0 HZ PHE A 50 2.329 0.194 -28.885 1.00 24.45 H new ATOM 792 N LEU A 51 8.299 -0.794 -34.749 1.00 22.50 N ATOM 793 CA LEU A 51 9.342 -1.396 -35.573 1.00 0.23 C ATOM 794 C LEU A 51 10.708 -0.802 -35.241 1.00 53.31 C ATOM 795 O LEU A 51 11.722 -1.500 -35.264 1.00 22.12 O ATOM 796 CB LEU A 51 9.030 -1.189 -37.055 1.00 24.51 C ATOM 797 CG LEU A 51 9.549 -2.268 -38.007 1.00 22.33 C ATOM 798 CD1 LEU A 51 11.067 -2.332 -37.965 1.00 70.24 C ATOM 799 CD2 LEU A 51 8.946 -3.621 -37.658 1.00 23.22 C ATOM 0 H LEU A 51 7.623 -0.234 -35.268 1.00 22.50 H new ATOM 0 HA LEU A 51 9.369 -2.465 -35.359 1.00 0.23 H new ATOM 0 HB2 LEU A 51 7.949 -1.119 -37.172 1.00 24.51 H new ATOM 0 HB3 LEU A 51 9.446 -0.230 -37.363 1.00 24.51 H new ATOM 0 HG LEU A 51 9.245 -2.008 -39.021 1.00 22.33 H new ATOM 0 HD11 LEU A 51 11.418 -3.105 -38.649 1.00 70.24 H new ATOM 0 HD12 LEU A 51 11.480 -1.369 -38.264 1.00 70.24 H new ATOM 0 HD13 LEU A 51 11.393 -2.568 -36.952 1.00 70.24 H new ATOM 0 HD21 LEU A 51 9.326 -4.377 -38.345 1.00 23.22 H new ATOM 0 HD22 LEU A 51 9.219 -3.889 -36.637 1.00 23.22 H new ATOM 0 HD23 LEU A 51 7.860 -3.568 -37.741 1.00 23.22 H new ATOM 811 N LYS A 52 10.727 0.489 -34.930 1.00 72.22 N ATOM 812 CA LYS A 52 11.966 1.177 -34.590 1.00 13.04 C ATOM 813 C LYS A 52 12.512 0.685 -33.252 1.00 1.22 C ATOM 814 O LYS A 52 13.723 0.556 -33.074 1.00 22.51 O ATOM 815 CB LYS A 52 11.736 2.689 -34.534 1.00 14.41 C ATOM 816 CG LYS A 52 11.883 3.375 -35.882 1.00 64.25 C ATOM 817 CD LYS A 52 12.087 4.873 -35.724 1.00 12.02 C ATOM 818 CE LYS A 52 11.772 5.617 -37.012 1.00 32.31 C ATOM 819 NZ LYS A 52 12.408 6.963 -37.046 1.00 13.43 N ATOM 0 H LYS A 52 9.897 1.081 -34.906 1.00 72.22 H new ATOM 0 HA LYS A 52 12.699 0.956 -35.366 1.00 13.04 H new ATOM 0 HB2 LYS A 52 10.737 2.882 -34.144 1.00 14.41 H new ATOM 0 HB3 LYS A 52 12.443 3.130 -33.832 1.00 14.41 H new ATOM 0 HG2 LYS A 52 12.729 2.946 -36.420 1.00 64.25 H new ATOM 0 HG3 LYS A 52 10.994 3.189 -36.485 1.00 64.25 H new ATOM 0 HD2 LYS A 52 11.450 5.246 -34.922 1.00 12.02 H new ATOM 0 HD3 LYS A 52 13.118 5.072 -35.430 1.00 12.02 H new ATOM 0 HE2 LYS A 52 12.117 5.031 -37.864 1.00 32.31 H new ATOM 0 HE3 LYS A 52 10.692 5.723 -37.115 1.00 32.31 H new ATOM 0 HZ1 LYS A 52 12.169 7.437 -37.940 1.00 13.43 H new ATOM 0 HZ2 LYS A 52 12.059 7.532 -36.248 1.00 13.43 H new ATOM 0 HZ3 LYS A 52 13.440 6.861 -36.974 1.00 13.43 H new ATOM 833 N THR A 53 11.609 0.412 -32.316 1.00 24.20 N ATOM 834 CA THR A 53 12.000 -0.066 -30.995 1.00 34.52 C ATOM 835 C THR A 53 12.307 -1.559 -31.019 1.00 21.14 C ATOM 836 O THR A 53 13.096 -2.055 -30.213 1.00 72.44 O ATOM 837 CB THR A 53 10.900 0.204 -29.951 1.00 24.53 C ATOM 838 OG1 THR A 53 10.471 1.569 -30.034 1.00 13.12 O ATOM 839 CG2 THR A 53 11.401 -0.091 -28.546 1.00 64.44 C ATOM 0 H THR A 53 10.603 0.513 -32.448 1.00 24.20 H new ATOM 0 HA THR A 53 12.899 0.482 -30.714 1.00 34.52 H new ATOM 0 HB THR A 53 10.059 -0.455 -30.164 1.00 24.53 H new ATOM 0 HG1 THR A 53 9.928 1.693 -30.840 1.00 13.12 H new ATOM 0 HG21 THR A 53 10.606 0.107 -27.827 1.00 64.44 H new ATOM 0 HG22 THR A 53 11.699 -1.137 -28.478 1.00 64.44 H new ATOM 0 HG23 THR A 53 12.258 0.545 -28.324 1.00 64.44 H new ATOM 847 N VAL A 54 11.678 -2.273 -31.947 1.00 5.34 N ATOM 848 CA VAL A 54 11.884 -3.710 -32.077 1.00 43.11 C ATOM 849 C VAL A 54 11.813 -4.146 -33.535 1.00 50.42 C ATOM 850 O VAL A 54 10.910 -3.765 -34.280 1.00 41.32 O ATOM 851 CB VAL A 54 10.843 -4.503 -31.265 1.00 32.21 C ATOM 852 CG1 VAL A 54 11.090 -5.998 -31.394 1.00 15.02 C ATOM 853 CG2 VAL A 54 10.869 -4.074 -29.805 1.00 51.22 C ATOM 0 H VAL A 54 11.021 -1.879 -32.620 1.00 5.34 H new ATOM 0 HA VAL A 54 12.879 -3.923 -31.685 1.00 43.11 H new ATOM 0 HB VAL A 54 9.853 -4.287 -31.667 1.00 32.21 H new ATOM 0 HG11 VAL A 54 10.345 -6.541 -30.813 1.00 15.02 H new ATOM 0 HG12 VAL A 54 11.017 -6.290 -32.442 1.00 15.02 H new ATOM 0 HG13 VAL A 54 12.086 -6.236 -31.019 1.00 15.02 H new ATOM 0 HG21 VAL A 54 10.128 -4.644 -29.245 1.00 51.22 H new ATOM 0 HG22 VAL A 54 11.859 -4.259 -29.389 1.00 51.22 H new ATOM 0 HG23 VAL A 54 10.639 -3.011 -29.734 1.00 51.22 H new ATOM 863 N PRO A 55 12.789 -4.965 -33.957 1.00 2.25 N ATOM 864 CA PRO A 55 12.859 -5.473 -35.330 1.00 2.03 C ATOM 865 C PRO A 55 11.752 -6.475 -35.636 1.00 74.41 C ATOM 866 O PRO A 55 11.335 -7.239 -34.764 1.00 51.24 O ATOM 867 CB PRO A 55 14.228 -6.154 -35.387 1.00 33.24 C ATOM 868 CG PRO A 55 14.524 -6.529 -33.976 1.00 34.23 C ATOM 869 CD PRO A 55 13.898 -5.460 -33.124 1.00 62.25 C ATOM 0 HA PRO A 55 12.732 -4.678 -36.065 1.00 2.03 H new ATOM 0 HB2 PRO A 55 14.207 -7.031 -36.034 1.00 33.24 H new ATOM 0 HB3 PRO A 55 14.988 -5.482 -35.786 1.00 33.24 H new ATOM 0 HG2 PRO A 55 14.111 -7.509 -33.738 1.00 34.23 H new ATOM 0 HG3 PRO A 55 15.599 -6.585 -33.804 1.00 34.23 H new ATOM 0 HD2 PRO A 55 13.540 -5.860 -32.175 1.00 62.25 H new ATOM 0 HD3 PRO A 55 14.608 -4.667 -32.888 1.00 62.25 H new ATOM 877 N TRP A 56 11.279 -6.468 -36.877 1.00 2.13 N ATOM 878 CA TRP A 56 10.219 -7.378 -37.296 1.00 72.32 C ATOM 879 C TRP A 56 10.573 -8.821 -36.950 1.00 33.30 C ATOM 880 O TRP A 56 9.724 -9.582 -36.485 1.00 54.31 O ATOM 881 CB TRP A 56 9.971 -7.247 -38.799 1.00 43.12 C ATOM 882 CG TRP A 56 11.222 -7.351 -39.619 1.00 71.25 C ATOM 883 CD1 TRP A 56 12.043 -6.326 -39.997 1.00 71.41 C ATOM 884 CD2 TRP A 56 11.792 -8.546 -40.163 1.00 63.01 C ATOM 885 NE1 TRP A 56 13.089 -6.813 -40.743 1.00 11.50 N ATOM 886 CE2 TRP A 56 12.959 -8.171 -40.859 1.00 54.44 C ATOM 887 CE3 TRP A 56 11.434 -9.896 -40.129 1.00 64.22 C ATOM 888 CZ2 TRP A 56 13.765 -9.098 -41.514 1.00 2.44 C ATOM 889 CZ3 TRP A 56 12.234 -10.815 -40.780 1.00 44.31 C ATOM 890 CH2 TRP A 56 13.389 -10.413 -41.465 1.00 14.15 C ATOM 0 H TRP A 56 11.612 -5.843 -37.611 1.00 2.13 H new ATOM 0 HA TRP A 56 9.309 -7.108 -36.760 1.00 72.32 H new ATOM 0 HB2 TRP A 56 9.273 -8.023 -39.114 1.00 43.12 H new ATOM 0 HB3 TRP A 56 9.493 -6.288 -38.999 1.00 43.12 H new ATOM 0 HD1 TRP A 56 11.892 -5.286 -39.746 1.00 71.41 H new ATOM 0 HE1 TRP A 56 13.841 -6.253 -41.145 1.00 11.50 H new ATOM 0 HE3 TRP A 56 10.547 -10.216 -39.603 1.00 64.22 H new ATOM 0 HZ2 TRP A 56 14.655 -8.790 -42.042 1.00 2.44 H new ATOM 0 HZ3 TRP A 56 11.965 -11.861 -40.761 1.00 44.31 H new ATOM 0 HH2 TRP A 56 13.994 -11.156 -41.964 1.00 14.15 H new ATOM 901 N GLU A 57 11.828 -9.189 -37.180 1.00 24.51 N ATOM 902 CA GLU A 57 12.292 -10.542 -36.893 1.00 64.15 C ATOM 903 C GLU A 57 11.946 -10.943 -35.461 1.00 74.11 C ATOM 904 O GLU A 57 11.731 -12.119 -35.171 1.00 43.02 O ATOM 905 CB GLU A 57 13.803 -10.645 -37.113 1.00 44.32 C ATOM 906 CG GLU A 57 14.620 -9.895 -36.076 1.00 74.32 C ATOM 907 CD GLU A 57 15.984 -9.481 -36.596 1.00 2.22 C ATOM 908 OE1 GLU A 57 16.036 -8.688 -37.558 1.00 73.32 O ATOM 909 OE2 GLU A 57 16.998 -9.951 -36.039 1.00 35.22 O ATOM 0 H GLU A 57 12.542 -8.570 -37.564 1.00 24.51 H new ATOM 0 HA GLU A 57 11.786 -11.225 -37.576 1.00 64.15 H new ATOM 0 HB2 GLU A 57 14.093 -11.696 -37.101 1.00 44.32 H new ATOM 0 HB3 GLU A 57 14.045 -10.259 -38.103 1.00 44.32 H new ATOM 0 HG2 GLU A 57 14.072 -9.008 -35.759 1.00 74.32 H new ATOM 0 HG3 GLU A 57 14.747 -10.524 -35.195 1.00 74.32 H new ATOM 916 N GLN A 58 11.897 -9.956 -34.573 1.00 73.33 N ATOM 917 CA GLN A 58 11.578 -10.206 -33.171 1.00 13.45 C ATOM 918 C GLN A 58 10.294 -9.490 -32.769 1.00 24.32 C ATOM 919 O GLN A 58 10.100 -9.151 -31.600 1.00 52.14 O ATOM 920 CB GLN A 58 12.733 -9.751 -32.276 1.00 52.31 C ATOM 921 CG GLN A 58 14.033 -10.497 -32.534 1.00 2.22 C ATOM 922 CD GLN A 58 14.855 -10.689 -31.274 1.00 73.04 C ATOM 923 OE1 GLN A 58 15.208 -9.723 -30.597 1.00 12.51 O ATOM 924 NE2 GLN A 58 15.164 -11.939 -30.954 1.00 11.14 N ATOM 0 H GLN A 58 12.074 -8.977 -34.798 1.00 73.33 H new ATOM 0 HA GLN A 58 11.429 -11.278 -33.043 1.00 13.45 H new ATOM 0 HB2 GLN A 58 12.900 -8.684 -32.426 1.00 52.31 H new ATOM 0 HB3 GLN A 58 12.448 -9.885 -31.233 1.00 52.31 H new ATOM 0 HG2 GLN A 58 13.809 -11.471 -32.969 1.00 2.22 H new ATOM 0 HG3 GLN A 58 14.623 -9.948 -33.268 1.00 2.22 H new ATOM 0 HE21 GLN A 58 14.850 -12.709 -31.545 1.00 11.14 H new ATOM 0 HE22 GLN A 58 15.715 -12.130 -30.117 1.00 11.14 H new ATOM 933 N LEU A 59 9.420 -9.260 -33.742 1.00 41.15 N ATOM 934 CA LEU A 59 8.153 -8.583 -33.490 1.00 23.12 C ATOM 935 C LEU A 59 6.996 -9.331 -34.144 1.00 51.11 C ATOM 936 O LEU A 59 5.888 -8.804 -34.259 1.00 4.12 O ATOM 937 CB LEU A 59 8.207 -7.146 -34.011 1.00 20.44 C ATOM 938 CG LEU A 59 7.184 -6.177 -33.416 1.00 33.41 C ATOM 939 CD1 LEU A 59 7.556 -5.821 -31.985 1.00 5.54 C ATOM 940 CD2 LEU A 59 7.080 -4.921 -34.270 1.00 61.44 C ATOM 0 H LEU A 59 9.566 -9.533 -34.714 1.00 41.15 H new ATOM 0 HA LEU A 59 7.987 -8.566 -32.413 1.00 23.12 H new ATOM 0 HB2 LEU A 59 9.205 -6.750 -33.823 1.00 20.44 H new ATOM 0 HB3 LEU A 59 8.071 -7.167 -35.092 1.00 20.44 H new ATOM 0 HG LEU A 59 6.211 -6.667 -33.406 1.00 33.41 H new ATOM 0 HD11 LEU A 59 6.817 -5.131 -31.578 1.00 5.54 H new ATOM 0 HD12 LEU A 59 7.579 -6.727 -31.379 1.00 5.54 H new ATOM 0 HD13 LEU A 59 8.539 -5.350 -31.971 1.00 5.54 H new ATOM 0 HD21 LEU A 59 6.348 -4.243 -33.832 1.00 61.44 H new ATOM 0 HD22 LEU A 59 8.051 -4.428 -34.312 1.00 61.44 H new ATOM 0 HD23 LEU A 59 6.766 -5.192 -35.278 1.00 61.44 H new ATOM 952 N LEU A 60 7.259 -10.562 -34.569 1.00 55.45 N ATOM 953 CA LEU A 60 6.238 -11.384 -35.210 1.00 62.31 C ATOM 954 C LEU A 60 6.491 -12.866 -34.950 1.00 44.10 C ATOM 955 O LEU A 60 7.637 -13.301 -34.845 1.00 61.30 O ATOM 956 CB LEU A 60 6.210 -11.115 -36.715 1.00 44.32 C ATOM 957 CG LEU A 60 7.271 -11.839 -37.546 1.00 11.04 C ATOM 958 CD1 LEU A 60 6.635 -12.946 -38.374 1.00 41.24 C ATOM 959 CD2 LEU A 60 8.009 -10.857 -38.442 1.00 71.44 C ATOM 0 H LEU A 60 8.170 -11.013 -34.481 1.00 55.45 H new ATOM 0 HA LEU A 60 5.271 -11.119 -34.783 1.00 62.31 H new ATOM 0 HB2 LEU A 60 5.227 -11.393 -37.095 1.00 44.32 H new ATOM 0 HB3 LEU A 60 6.322 -10.043 -36.874 1.00 44.32 H new ATOM 0 HG LEU A 60 7.993 -12.291 -36.865 1.00 11.04 H new ATOM 0 HD11 LEU A 60 7.404 -13.450 -38.959 1.00 41.24 H new ATOM 0 HD12 LEU A 60 6.153 -13.665 -37.711 1.00 41.24 H new ATOM 0 HD13 LEU A 60 5.892 -12.517 -39.046 1.00 41.24 H new ATOM 0 HD21 LEU A 60 8.760 -11.390 -39.025 1.00 71.44 H new ATOM 0 HD22 LEU A 60 7.300 -10.376 -39.116 1.00 71.44 H new ATOM 0 HD23 LEU A 60 8.497 -10.100 -37.828 1.00 71.44 H new ATOM 971 N ASN A 61 5.413 -13.636 -34.849 1.00 14.22 N ATOM 972 CA ASN A 61 5.518 -15.070 -34.605 1.00 33.24 C ATOM 973 C ASN A 61 6.466 -15.725 -35.605 1.00 54.15 C ATOM 974 O ASN A 61 6.489 -15.365 -36.782 1.00 1.23 O ATOM 975 CB ASN A 61 4.137 -15.726 -34.689 1.00 52.35 C ATOM 976 CG ASN A 61 3.294 -15.154 -35.812 1.00 2.34 C ATOM 977 OD1 ASN A 61 2.249 -14.549 -35.572 1.00 42.20 O ATOM 978 ND2 ASN A 61 3.745 -15.344 -37.047 1.00 71.33 N ATOM 0 H ASN A 61 4.457 -13.291 -34.932 1.00 14.22 H new ATOM 0 HA ASN A 61 5.921 -15.213 -33.602 1.00 33.24 H new ATOM 0 HB2 ASN A 61 4.256 -16.799 -34.838 1.00 52.35 H new ATOM 0 HB3 ASN A 61 3.615 -15.591 -33.742 1.00 52.35 H new ATOM 0 HD21 ASN A 61 3.220 -14.982 -37.843 1.00 71.33 H new ATOM 0 HD22 ASN A 61 4.617 -15.852 -37.199 1.00 71.33 H new ATOM 985 N ARG A 62 7.246 -16.689 -35.129 1.00 14.43 N ATOM 986 CA ARG A 62 8.197 -17.394 -35.980 1.00 62.32 C ATOM 987 C ARG A 62 7.752 -18.835 -36.213 1.00 71.20 C ATOM 988 O ARG A 62 7.756 -19.321 -37.344 1.00 73.11 O ATOM 989 CB ARG A 62 9.591 -17.374 -35.350 1.00 1.22 C ATOM 990 CG ARG A 62 10.370 -16.101 -35.636 1.00 71.45 C ATOM 991 CD ARG A 62 10.299 -15.129 -34.468 1.00 72.42 C ATOM 992 NE ARG A 62 11.624 -14.690 -34.040 1.00 15.00 N ATOM 993 CZ ARG A 62 12.480 -15.468 -33.389 1.00 45.11 C ATOM 994 NH1 ARG A 62 12.153 -16.719 -33.092 1.00 32.15 N ATOM 995 NH2 ARG A 62 13.668 -14.997 -33.032 1.00 4.03 N ATOM 0 H ARG A 62 7.238 -17.000 -34.158 1.00 14.43 H new ATOM 0 HA ARG A 62 8.234 -16.883 -36.942 1.00 62.32 H new ATOM 0 HB2 ARG A 62 9.495 -17.496 -34.271 1.00 1.22 H new ATOM 0 HB3 ARG A 62 10.159 -18.228 -35.718 1.00 1.22 H new ATOM 0 HG2 ARG A 62 11.411 -16.349 -35.841 1.00 71.45 H new ATOM 0 HG3 ARG A 62 9.973 -15.624 -36.532 1.00 71.45 H new ATOM 0 HD2 ARG A 62 9.705 -14.261 -34.754 1.00 72.42 H new ATOM 0 HD3 ARG A 62 9.787 -15.604 -33.631 1.00 72.42 H new ATOM 0 HE ARG A 62 11.907 -13.734 -34.253 1.00 15.00 H new ATOM 0 HH11 ARG A 62 11.241 -17.086 -33.364 1.00 32.15 H new ATOM 0 HH12 ARG A 62 12.814 -17.314 -32.592 1.00 32.15 H new ATOM 0 HH21 ARG A 62 13.924 -14.036 -33.258 1.00 4.03 H new ATOM 0 HH22 ARG A 62 14.325 -15.596 -32.532 1.00 4.03 H new ATOM 1009 N ALA A 63 7.372 -19.513 -35.136 1.00 13.41 N ATOM 1010 CA ALA A 63 6.923 -20.898 -35.222 1.00 11.25 C ATOM 1011 C ALA A 63 5.413 -20.975 -35.422 1.00 40.23 C ATOM 1012 O ALA A 63 4.887 -21.995 -35.864 1.00 15.22 O ATOM 1013 CB ALA A 63 7.332 -21.665 -33.974 1.00 4.01 C ATOM 0 H ALA A 63 7.366 -19.126 -34.192 1.00 13.41 H new ATOM 0 HA ALA A 63 7.401 -21.355 -36.088 1.00 11.25 H new ATOM 0 HB1 ALA A 63 6.990 -22.697 -34.053 1.00 4.01 H new ATOM 0 HB2 ALA A 63 8.418 -21.649 -33.876 1.00 4.01 H new ATOM 0 HB3 ALA A 63 6.882 -21.200 -33.097 1.00 4.01 H new ATOM 1019 N GLY A 64 4.721 -19.889 -35.092 1.00 15.42 N ATOM 1020 CA GLY A 64 3.278 -19.855 -35.241 1.00 64.14 C ATOM 1021 C GLY A 64 2.830 -20.254 -36.633 1.00 10.02 C ATOM 1022 O GLY A 64 3.570 -20.089 -37.604 1.00 62.15 O ATOM 0 H GLY A 64 5.134 -19.032 -34.724 1.00 15.42 H new ATOM 0 HA2 GLY A 64 2.824 -20.525 -34.511 1.00 64.14 H new ATOM 0 HA3 GLY A 64 2.916 -18.851 -35.020 1.00 64.14 H new ATOM 1026 N THR A 65 1.615 -20.785 -36.732 1.00 32.42 N ATOM 1027 CA THR A 65 1.070 -21.213 -38.014 1.00 14.14 C ATOM 1028 C THR A 65 1.014 -20.053 -39.002 1.00 2.22 C ATOM 1029 O THR A 65 1.158 -20.245 -40.210 1.00 74.54 O ATOM 1030 CB THR A 65 -0.342 -21.806 -37.854 1.00 43.52 C ATOM 1031 OG1 THR A 65 -0.935 -22.015 -39.142 1.00 71.44 O ATOM 1032 CG2 THR A 65 -1.226 -20.883 -37.029 1.00 24.43 C ATOM 0 H THR A 65 0.990 -20.929 -35.939 1.00 32.42 H new ATOM 0 HA THR A 65 1.737 -21.983 -38.400 1.00 14.14 H new ATOM 0 HB THR A 65 -0.254 -22.760 -37.335 1.00 43.52 H new ATOM 0 HG1 THR A 65 -1.832 -22.394 -39.032 1.00 71.44 H new ATOM 0 HG21 THR A 65 -2.218 -21.323 -36.929 1.00 24.43 H new ATOM 0 HG22 THR A 65 -0.788 -20.748 -36.040 1.00 24.43 H new ATOM 0 HG23 THR A 65 -1.306 -19.916 -37.526 1.00 24.43 H new ATOM 1040 N THR A 66 0.804 -18.848 -38.481 1.00 75.01 N ATOM 1041 CA THR A 66 0.728 -17.657 -39.317 1.00 24.34 C ATOM 1042 C THR A 66 1.951 -17.539 -40.219 1.00 70.12 C ATOM 1043 O THR A 66 1.829 -17.321 -41.425 1.00 31.44 O ATOM 1044 CB THR A 66 0.609 -16.379 -38.466 1.00 53.23 C ATOM 1045 OG1 THR A 66 1.253 -16.571 -37.202 1.00 11.42 O ATOM 1046 CG2 THR A 66 -0.851 -16.010 -38.247 1.00 2.54 C ATOM 0 H THR A 66 0.684 -18.672 -37.484 1.00 75.01 H new ATOM 0 HA THR A 66 -0.166 -17.760 -39.932 1.00 24.34 H new ATOM 0 HB THR A 66 1.097 -15.565 -39.001 1.00 53.23 H new ATOM 0 HG1 THR A 66 0.798 -16.036 -36.518 1.00 11.42 H new ATOM 0 HG21 THR A 66 -0.911 -15.104 -37.643 1.00 2.54 H new ATOM 0 HG22 THR A 66 -1.331 -15.837 -39.210 1.00 2.54 H new ATOM 0 HG23 THR A 66 -1.359 -16.825 -37.730 1.00 2.54 H new ATOM 1054 N PHE A 67 3.133 -17.687 -39.629 1.00 31.33 N ATOM 1055 CA PHE A 67 4.380 -17.597 -40.380 1.00 51.22 C ATOM 1056 C PHE A 67 4.546 -18.800 -41.305 1.00 2.20 C ATOM 1057 O PHE A 67 5.087 -18.681 -42.404 1.00 62.22 O ATOM 1058 CB PHE A 67 5.571 -17.507 -39.424 1.00 14.00 C ATOM 1059 CG PHE A 67 6.897 -17.425 -40.124 1.00 64.31 C ATOM 1060 CD1 PHE A 67 7.566 -18.575 -40.508 1.00 12.13 C ATOM 1061 CD2 PHE A 67 7.475 -16.195 -40.397 1.00 15.52 C ATOM 1062 CE1 PHE A 67 8.787 -18.501 -41.152 1.00 72.43 C ATOM 1063 CE2 PHE A 67 8.695 -16.114 -41.041 1.00 33.54 C ATOM 1064 CZ PHE A 67 9.351 -17.270 -41.420 1.00 75.02 C ATOM 0 H PHE A 67 3.253 -17.870 -38.633 1.00 31.33 H new ATOM 0 HA PHE A 67 4.343 -16.694 -40.989 1.00 51.22 H new ATOM 0 HB2 PHE A 67 5.450 -16.630 -38.788 1.00 14.00 H new ATOM 0 HB3 PHE A 67 5.568 -18.379 -38.770 1.00 14.00 H new ATOM 0 HD1 PHE A 67 7.129 -19.541 -40.302 1.00 12.13 H new ATOM 0 HD2 PHE A 67 6.966 -15.289 -40.103 1.00 15.52 H new ATOM 0 HE1 PHE A 67 9.299 -19.406 -41.445 1.00 72.43 H new ATOM 0 HE2 PHE A 67 9.135 -15.150 -41.248 1.00 33.54 H new ATOM 0 HZ PHE A 67 10.304 -17.210 -41.925 1.00 75.02 H new ATOM 1074 N ARG A 68 4.075 -19.957 -40.851 1.00 35.20 N ATOM 1075 CA ARG A 68 4.172 -21.181 -41.635 1.00 13.24 C ATOM 1076 C ARG A 68 3.124 -21.202 -42.744 1.00 42.44 C ATOM 1077 O ARG A 68 3.101 -22.109 -43.576 1.00 51.04 O ATOM 1078 CB ARG A 68 4.001 -22.406 -40.734 1.00 65.20 C ATOM 1079 CG ARG A 68 5.309 -22.937 -40.173 1.00 50.00 C ATOM 1080 CD ARG A 68 5.231 -24.430 -39.896 1.00 44.21 C ATOM 1081 NE ARG A 68 5.003 -25.202 -41.115 1.00 1.04 N ATOM 1082 CZ ARG A 68 4.700 -26.495 -41.121 1.00 43.45 C ATOM 1083 NH1 ARG A 68 4.588 -27.158 -39.978 1.00 73.52 N ATOM 1084 NH2 ARG A 68 4.508 -27.128 -42.271 1.00 33.20 N ATOM 0 H ARG A 68 3.622 -20.072 -39.944 1.00 35.20 H new ATOM 0 HA ARG A 68 5.161 -21.211 -42.092 1.00 13.24 H new ATOM 0 HB2 ARG A 68 3.339 -22.149 -39.907 1.00 65.20 H new ATOM 0 HB3 ARG A 68 3.511 -23.198 -41.301 1.00 65.20 H new ATOM 0 HG2 ARG A 68 6.116 -22.738 -40.878 1.00 50.00 H new ATOM 0 HG3 ARG A 68 5.553 -22.407 -39.252 1.00 50.00 H new ATOM 0 HD2 ARG A 68 6.157 -24.760 -39.426 1.00 44.21 H new ATOM 0 HD3 ARG A 68 4.426 -24.626 -39.187 1.00 44.21 H new ATOM 0 HE ARG A 68 5.081 -24.721 -42.011 1.00 1.04 H new ATOM 0 HH11 ARG A 68 4.735 -26.675 -39.092 1.00 73.52 H new ATOM 0 HH12 ARG A 68 4.355 -28.151 -39.985 1.00 73.52 H new ATOM 0 HH21 ARG A 68 4.593 -26.622 -43.152 1.00 33.20 H new ATOM 0 HH22 ARG A 68 4.275 -28.121 -42.274 1.00 33.20 H new ATOM 1098 N LYS A 69 2.257 -20.195 -42.749 1.00 73.43 N ATOM 1099 CA LYS A 69 1.205 -20.096 -43.754 1.00 73.42 C ATOM 1100 C LYS A 69 1.800 -19.993 -45.155 1.00 41.12 C ATOM 1101 O LYS A 69 1.282 -20.581 -46.105 1.00 52.53 O ATOM 1102 CB LYS A 69 0.317 -18.880 -43.475 1.00 31.13 C ATOM 1103 CG LYS A 69 -0.927 -18.824 -44.342 1.00 71.24 C ATOM 1104 CD LYS A 69 -2.023 -17.996 -43.693 1.00 50.32 C ATOM 1105 CE LYS A 69 -1.843 -16.513 -43.975 1.00 72.15 C ATOM 1106 NZ LYS A 69 -0.974 -15.858 -42.957 1.00 71.33 N ATOM 0 H LYS A 69 2.262 -19.436 -42.068 1.00 73.43 H new ATOM 0 HA LYS A 69 0.599 -21.001 -43.700 1.00 73.42 H new ATOM 0 HB2 LYS A 69 0.019 -18.891 -42.427 1.00 31.13 H new ATOM 0 HB3 LYS A 69 0.899 -17.972 -43.631 1.00 31.13 H new ATOM 0 HG2 LYS A 69 -0.675 -18.399 -45.313 1.00 71.24 H new ATOM 0 HG3 LYS A 69 -1.292 -19.835 -44.522 1.00 71.24 H new ATOM 0 HD2 LYS A 69 -2.995 -18.322 -44.064 1.00 50.32 H new ATOM 0 HD3 LYS A 69 -2.019 -18.166 -42.616 1.00 50.32 H new ATOM 0 HE2 LYS A 69 -1.406 -16.382 -44.965 1.00 72.15 H new ATOM 0 HE3 LYS A 69 -2.817 -16.025 -43.989 1.00 72.15 H new ATOM 0 HZ1 LYS A 69 -1.139 -14.831 -42.969 1.00 71.33 H new ATOM 0 HZ2 LYS A 69 -1.200 -16.234 -42.014 1.00 71.33 H new ATOM 0 HZ3 LYS A 69 0.024 -16.051 -43.177 1.00 71.33 H new ATOM 1120 N LEU A 70 2.890 -19.243 -45.276 1.00 1.50 N ATOM 1121 CA LEU A 70 3.556 -19.064 -46.561 1.00 30.25 C ATOM 1122 C LEU A 70 4.650 -20.109 -46.757 1.00 52.51 C ATOM 1123 O LEU A 70 5.153 -20.703 -45.804 1.00 53.44 O ATOM 1124 CB LEU A 70 4.154 -17.660 -46.657 1.00 30.13 C ATOM 1125 CG LEU A 70 3.195 -16.550 -47.088 1.00 75.04 C ATOM 1126 CD1 LEU A 70 2.699 -16.793 -48.505 1.00 23.34 C ATOM 1127 CD2 LEU A 70 2.024 -16.451 -46.121 1.00 52.00 C ATOM 0 H LEU A 70 3.331 -18.749 -44.500 1.00 1.50 H new ATOM 0 HA LEU A 70 2.813 -19.190 -47.348 1.00 30.25 H new ATOM 0 HB2 LEU A 70 4.569 -17.396 -45.684 1.00 30.13 H new ATOM 0 HB3 LEU A 70 4.985 -17.688 -47.361 1.00 30.13 H new ATOM 0 HG LEU A 70 3.735 -15.603 -47.071 1.00 75.04 H new ATOM 0 HD11 LEU A 70 2.018 -15.993 -48.794 1.00 23.34 H new ATOM 0 HD12 LEU A 70 3.547 -16.812 -49.189 1.00 23.34 H new ATOM 0 HD13 LEU A 70 2.176 -17.748 -48.549 1.00 23.34 H new ATOM 0 HD21 LEU A 70 1.352 -15.656 -46.444 1.00 52.00 H new ATOM 0 HD22 LEU A 70 1.484 -17.398 -46.105 1.00 52.00 H new ATOM 0 HD23 LEU A 70 2.396 -16.228 -45.121 1.00 52.00 H new ATOM 1139 N PRO A 71 5.029 -20.339 -48.023 1.00 40.12 N ATOM 1140 CA PRO A 71 6.069 -21.311 -48.374 1.00 21.41 C ATOM 1141 C PRO A 71 7.458 -20.857 -47.937 1.00 4.43 C ATOM 1142 O PRO A 71 7.611 -19.799 -47.326 1.00 61.04 O ATOM 1143 CB PRO A 71 5.986 -21.383 -49.901 1.00 10.33 C ATOM 1144 CG PRO A 71 5.412 -20.072 -50.311 1.00 64.15 C ATOM 1145 CD PRO A 71 4.472 -19.667 -49.210 1.00 72.42 C ATOM 0 HA PRO A 71 5.915 -22.270 -47.879 1.00 21.41 H new ATOM 0 HB2 PRO A 71 6.969 -21.541 -50.344 1.00 10.33 H new ATOM 0 HB3 PRO A 71 5.354 -22.210 -50.225 1.00 10.33 H new ATOM 0 HG2 PRO A 71 6.197 -19.328 -50.447 1.00 64.15 H new ATOM 0 HG3 PRO A 71 4.885 -20.157 -51.262 1.00 64.15 H new ATOM 0 HD2 PRO A 71 4.444 -18.585 -49.083 1.00 72.42 H new ATOM 0 HD3 PRO A 71 3.451 -19.991 -49.413 1.00 72.42 H new ATOM 1153 N GLU A 72 8.466 -21.661 -48.256 1.00 64.42 N ATOM 1154 CA GLU A 72 9.842 -21.342 -47.894 1.00 2.33 C ATOM 1155 C GLU A 72 10.368 -20.181 -48.734 1.00 32.21 C ATOM 1156 O GLU A 72 11.157 -19.364 -48.256 1.00 64.11 O ATOM 1157 CB GLU A 72 10.740 -22.566 -48.079 1.00 3.30 C ATOM 1158 CG GLU A 72 10.650 -23.564 -46.937 1.00 14.02 C ATOM 1159 CD GLU A 72 11.246 -24.913 -47.293 1.00 23.34 C ATOM 1160 OE1 GLU A 72 12.215 -24.946 -48.081 1.00 4.25 O ATOM 1161 OE2 GLU A 72 10.741 -25.936 -46.784 1.00 2.14 O ATOM 0 H GLU A 72 8.356 -22.538 -48.764 1.00 64.42 H new ATOM 0 HA GLU A 72 9.856 -21.047 -46.845 1.00 2.33 H new ATOM 0 HB2 GLU A 72 10.471 -23.066 -49.010 1.00 3.30 H new ATOM 0 HB3 GLU A 72 11.774 -22.236 -48.181 1.00 3.30 H new ATOM 0 HG2 GLU A 72 11.167 -23.161 -46.066 1.00 14.02 H new ATOM 0 HG3 GLU A 72 9.605 -23.695 -46.656 1.00 14.02 H new ATOM 1168 N ASP A 73 9.927 -20.115 -49.984 1.00 54.44 N ATOM 1169 CA ASP A 73 10.353 -19.054 -50.890 1.00 22.54 C ATOM 1170 C ASP A 73 9.835 -17.698 -50.420 1.00 73.43 C ATOM 1171 O ASP A 73 10.600 -16.742 -50.290 1.00 20.35 O ATOM 1172 CB ASP A 73 9.858 -19.337 -52.310 1.00 11.40 C ATOM 1173 CG ASP A 73 10.310 -20.691 -52.821 1.00 35.22 C ATOM 1174 OD1 ASP A 73 11.361 -21.181 -52.355 1.00 60.34 O ATOM 1175 OD2 ASP A 73 9.616 -21.261 -53.688 1.00 64.21 O ATOM 0 H ASP A 73 9.275 -20.783 -50.394 1.00 54.44 H new ATOM 0 HA ASP A 73 11.443 -19.027 -50.891 1.00 22.54 H new ATOM 0 HB2 ASP A 73 8.769 -19.290 -52.328 1.00 11.40 H new ATOM 0 HB3 ASP A 73 10.222 -18.559 -52.981 1.00 11.40 H new ATOM 1180 N VAL A 74 8.533 -17.621 -50.168 1.00 22.21 N ATOM 1181 CA VAL A 74 7.914 -16.383 -49.712 1.00 51.24 C ATOM 1182 C VAL A 74 8.491 -15.941 -48.372 1.00 71.30 C ATOM 1183 O VAL A 74 8.651 -14.746 -48.117 1.00 64.14 O ATOM 1184 CB VAL A 74 6.387 -16.535 -49.576 1.00 4.32 C ATOM 1185 CG1 VAL A 74 5.778 -15.282 -48.966 1.00 2.42 C ATOM 1186 CG2 VAL A 74 5.760 -16.839 -50.928 1.00 20.32 C ATOM 0 H VAL A 74 7.886 -18.402 -50.272 1.00 22.21 H new ATOM 0 HA VAL A 74 8.130 -15.625 -50.465 1.00 51.24 H new ATOM 0 HB VAL A 74 6.180 -17.372 -48.909 1.00 4.32 H new ATOM 0 HG11 VAL A 74 4.699 -15.408 -48.878 1.00 2.42 H new ATOM 0 HG12 VAL A 74 6.206 -15.114 -47.978 1.00 2.42 H new ATOM 0 HG13 VAL A 74 5.992 -14.425 -49.605 1.00 2.42 H new ATOM 0 HG21 VAL A 74 4.681 -16.943 -50.814 1.00 20.32 H new ATOM 0 HG22 VAL A 74 5.974 -16.025 -51.620 1.00 20.32 H new ATOM 0 HG23 VAL A 74 6.175 -17.767 -51.321 1.00 20.32 H new ATOM 1196 N ARG A 75 8.801 -16.911 -47.519 1.00 32.22 N ATOM 1197 CA ARG A 75 9.360 -16.623 -46.203 1.00 2.22 C ATOM 1198 C ARG A 75 10.846 -16.291 -46.305 1.00 43.01 C ATOM 1199 O ARG A 75 11.399 -15.603 -45.448 1.00 52.32 O ATOM 1200 CB ARG A 75 9.155 -17.814 -45.266 1.00 70.20 C ATOM 1201 CG ARG A 75 7.713 -18.000 -44.823 1.00 33.21 C ATOM 1202 CD ARG A 75 7.204 -16.786 -44.061 1.00 64.25 C ATOM 1203 NE ARG A 75 6.514 -15.842 -44.935 1.00 60.01 N ATOM 1204 CZ ARG A 75 6.127 -14.631 -44.548 1.00 52.41 C ATOM 1205 NH1 ARG A 75 6.361 -14.220 -43.310 1.00 43.22 N ATOM 1206 NH2 ARG A 75 5.504 -13.827 -45.402 1.00 22.23 N ATOM 0 H ARG A 75 8.675 -17.904 -47.715 1.00 32.22 H new ATOM 0 HA ARG A 75 8.839 -15.757 -45.796 1.00 2.22 H new ATOM 0 HB2 ARG A 75 9.492 -18.722 -45.767 1.00 70.20 H new ATOM 0 HB3 ARG A 75 9.783 -17.684 -44.385 1.00 70.20 H new ATOM 0 HG2 ARG A 75 7.083 -18.174 -45.695 1.00 33.21 H new ATOM 0 HG3 ARG A 75 7.636 -18.886 -44.192 1.00 33.21 H new ATOM 0 HD2 ARG A 75 6.526 -17.111 -43.272 1.00 64.25 H new ATOM 0 HD3 ARG A 75 8.042 -16.285 -43.576 1.00 64.25 H new ATOM 0 HE ARG A 75 6.318 -16.127 -45.895 1.00 60.01 H new ATOM 0 HH11 ARG A 75 6.840 -14.834 -42.651 1.00 43.22 H new ATOM 0 HH12 ARG A 75 6.063 -13.290 -43.016 1.00 43.22 H new ATOM 0 HH21 ARG A 75 5.322 -14.139 -46.356 1.00 22.23 H new ATOM 0 HH22 ARG A 75 5.207 -12.898 -45.104 1.00 22.23 H new ATOM 1220 N SER A 76 11.486 -16.785 -47.359 1.00 13.42 N ATOM 1221 CA SER A 76 12.909 -16.547 -47.571 1.00 72.25 C ATOM 1222 C SER A 76 13.134 -15.236 -48.318 1.00 24.11 C ATOM 1223 O SER A 76 14.201 -14.630 -48.224 1.00 72.30 O ATOM 1224 CB SER A 76 13.533 -17.705 -48.351 1.00 52.34 C ATOM 1225 OG SER A 76 14.856 -17.396 -48.752 1.00 11.12 O ATOM 0 H SER A 76 11.042 -17.353 -48.080 1.00 13.42 H new ATOM 0 HA SER A 76 13.389 -16.477 -46.595 1.00 72.25 H new ATOM 0 HB2 SER A 76 13.537 -18.603 -47.733 1.00 52.34 H new ATOM 0 HB3 SER A 76 12.926 -17.925 -49.229 1.00 52.34 H new ATOM 0 HG SER A 76 15.233 -18.153 -49.247 1.00 11.12 H new ATOM 1231 N ASN A 77 12.120 -14.805 -49.062 1.00 61.11 N ATOM 1232 CA ASN A 77 12.207 -13.566 -49.828 1.00 63.22 C ATOM 1233 C ASN A 77 11.604 -12.402 -49.048 1.00 4.51 C ATOM 1234 O ASN A 77 11.167 -11.410 -49.632 1.00 30.21 O ATOM 1235 CB ASN A 77 11.489 -13.721 -51.171 1.00 34.15 C ATOM 1236 CG ASN A 77 12.389 -14.306 -52.242 1.00 2.31 C ATOM 1237 OD1 ASN A 77 12.733 -13.633 -53.214 1.00 62.33 O ATOM 1238 ND2 ASN A 77 12.774 -15.566 -52.071 1.00 63.33 N ATOM 0 H ASN A 77 11.230 -15.295 -49.151 1.00 61.11 H new ATOM 0 HA ASN A 77 13.260 -13.353 -50.009 1.00 63.22 H new ATOM 0 HB2 ASN A 77 10.617 -14.363 -51.042 1.00 34.15 H new ATOM 0 HB3 ASN A 77 11.123 -12.748 -51.499 1.00 34.15 H new ATOM 0 HD21 ASN A 77 13.379 -16.013 -52.760 1.00 63.33 H new ATOM 0 HD22 ASN A 77 12.465 -16.087 -51.250 1.00 63.33 H new ATOM 1245 N VAL A 78 11.584 -12.530 -47.725 1.00 54.35 N ATOM 1246 CA VAL A 78 11.036 -11.488 -46.865 1.00 25.14 C ATOM 1247 C VAL A 78 12.064 -10.392 -46.607 1.00 53.34 C ATOM 1248 O VAL A 78 13.229 -10.673 -46.327 1.00 13.31 O ATOM 1249 CB VAL A 78 10.567 -12.064 -45.515 1.00 24.53 C ATOM 1250 CG1 VAL A 78 10.029 -10.958 -44.621 1.00 61.22 C ATOM 1251 CG2 VAL A 78 9.517 -13.143 -45.734 1.00 61.01 C ATOM 0 H VAL A 78 11.941 -13.345 -47.226 1.00 54.35 H new ATOM 0 HA VAL A 78 10.179 -11.063 -47.388 1.00 25.14 H new ATOM 0 HB VAL A 78 11.423 -12.518 -45.015 1.00 24.53 H new ATOM 0 HG11 VAL A 78 9.702 -11.384 -43.672 1.00 61.22 H new ATOM 0 HG12 VAL A 78 10.814 -10.224 -44.439 1.00 61.22 H new ATOM 0 HG13 VAL A 78 9.185 -10.473 -45.111 1.00 61.22 H new ATOM 0 HG21 VAL A 78 9.196 -13.539 -44.771 1.00 61.01 H new ATOM 0 HG22 VAL A 78 8.660 -12.716 -46.254 1.00 61.01 H new ATOM 0 HG23 VAL A 78 9.942 -13.948 -46.334 1.00 61.01 H new ATOM 1261 N ASP A 79 11.624 -9.143 -46.705 1.00 75.02 N ATOM 1262 CA ASP A 79 12.506 -8.002 -46.480 1.00 32.13 C ATOM 1263 C ASP A 79 11.905 -7.044 -45.456 1.00 22.35 C ATOM 1264 O ASP A 79 10.801 -7.263 -44.960 1.00 11.20 O ATOM 1265 CB ASP A 79 12.767 -7.266 -47.795 1.00 14.11 C ATOM 1266 CG ASP A 79 12.886 -8.211 -48.974 1.00 70.21 C ATOM 1267 OD1 ASP A 79 13.879 -8.967 -49.031 1.00 12.03 O ATOM 1268 OD2 ASP A 79 11.987 -8.195 -49.840 1.00 63.45 O ATOM 0 H ASP A 79 10.663 -8.894 -46.938 1.00 75.02 H new ATOM 0 HA ASP A 79 13.452 -8.376 -46.088 1.00 32.13 H new ATOM 0 HB2 ASP A 79 11.957 -6.560 -47.980 1.00 14.11 H new ATOM 0 HB3 ASP A 79 13.684 -6.684 -47.706 1.00 14.11 H new ATOM 1273 N ALA A 80 12.640 -5.981 -45.145 1.00 44.44 N ATOM 1274 CA ALA A 80 12.180 -4.989 -44.182 1.00 1.03 C ATOM 1275 C ALA A 80 10.882 -4.335 -44.645 1.00 60.14 C ATOM 1276 O ALA A 80 9.856 -4.426 -43.972 1.00 3.35 O ATOM 1277 CB ALA A 80 13.253 -3.934 -43.956 1.00 43.13 C ATOM 0 H ALA A 80 13.557 -5.785 -45.547 1.00 44.44 H new ATOM 0 HA ALA A 80 11.984 -5.499 -43.239 1.00 1.03 H new ATOM 0 HB1 ALA A 80 12.895 -3.200 -43.234 1.00 43.13 H new ATOM 0 HB2 ALA A 80 14.156 -4.410 -43.573 1.00 43.13 H new ATOM 0 HB3 ALA A 80 13.478 -3.436 -44.899 1.00 43.13 H new ATOM 1283 N ALA A 81 10.936 -3.676 -45.798 1.00 21.32 N ATOM 1284 CA ALA A 81 9.764 -3.008 -46.351 1.00 55.31 C ATOM 1285 C ALA A 81 8.571 -3.956 -46.417 1.00 31.04 C ATOM 1286 O ALA A 81 7.515 -3.678 -45.851 1.00 33.41 O ATOM 1287 CB ALA A 81 10.076 -2.454 -47.733 1.00 13.35 C ATOM 0 H ALA A 81 11.778 -3.590 -46.367 1.00 21.32 H new ATOM 0 HA ALA A 81 9.502 -2.182 -45.690 1.00 55.31 H new ATOM 0 HB1 ALA A 81 9.192 -1.958 -48.134 1.00 13.35 H new ATOM 0 HB2 ALA A 81 10.894 -1.737 -47.661 1.00 13.35 H new ATOM 0 HB3 ALA A 81 10.366 -3.270 -48.395 1.00 13.35 H new ATOM 1293 N SER A 82 8.748 -5.075 -47.110 1.00 54.12 N ATOM 1294 CA SER A 82 7.684 -6.063 -47.253 1.00 14.13 C ATOM 1295 C SER A 82 7.152 -6.489 -45.889 1.00 30.51 C ATOM 1296 O SER A 82 5.946 -6.651 -45.704 1.00 1.33 O ATOM 1297 CB SER A 82 8.194 -7.286 -48.019 1.00 73.02 C ATOM 1298 OG SER A 82 9.215 -6.926 -48.933 1.00 11.21 O ATOM 0 H SER A 82 9.618 -5.321 -47.582 1.00 54.12 H new ATOM 0 HA SER A 82 6.870 -5.605 -47.815 1.00 14.13 H new ATOM 0 HB2 SER A 82 8.576 -8.026 -47.316 1.00 73.02 H new ATOM 0 HB3 SER A 82 7.368 -7.753 -48.556 1.00 73.02 H new ATOM 0 HG SER A 82 9.923 -7.603 -48.915 1.00 11.21 H new ATOM 1304 N ALA A 83 8.061 -6.668 -44.936 1.00 34.11 N ATOM 1305 CA ALA A 83 7.684 -7.074 -43.587 1.00 62.10 C ATOM 1306 C ALA A 83 6.797 -6.023 -42.926 1.00 53.55 C ATOM 1307 O ALA A 83 5.799 -6.353 -42.285 1.00 1.10 O ATOM 1308 CB ALA A 83 8.926 -7.324 -42.745 1.00 14.31 C ATOM 0 H ALA A 83 9.063 -6.538 -45.073 1.00 34.11 H new ATOM 0 HA ALA A 83 7.114 -8.001 -43.658 1.00 62.10 H new ATOM 0 HB1 ALA A 83 8.630 -7.626 -41.741 1.00 14.31 H new ATOM 0 HB2 ALA A 83 9.522 -8.115 -43.201 1.00 14.31 H new ATOM 0 HB3 ALA A 83 9.518 -6.410 -42.689 1.00 14.31 H new ATOM 1314 N ARG A 84 7.169 -4.756 -43.085 1.00 14.24 N ATOM 1315 CA ARG A 84 6.409 -3.659 -42.502 1.00 42.23 C ATOM 1316 C ARG A 84 5.013 -3.579 -43.112 1.00 55.53 C ATOM 1317 O ARG A 84 4.029 -3.354 -42.408 1.00 43.13 O ATOM 1318 CB ARG A 84 7.144 -2.334 -42.710 1.00 72.41 C ATOM 1319 CG ARG A 84 8.462 -2.244 -41.959 1.00 43.35 C ATOM 1320 CD ARG A 84 8.788 -0.809 -41.575 1.00 30.14 C ATOM 1321 NE ARG A 84 10.067 -0.371 -42.126 1.00 24.42 N ATOM 1322 CZ ARG A 84 10.244 -0.044 -43.402 1.00 23.24 C ATOM 1323 NH1 ARG A 84 9.229 -0.104 -44.252 1.00 30.24 N ATOM 1324 NH2 ARG A 84 11.439 0.345 -43.829 1.00 14.35 N ATOM 0 H ARG A 84 7.992 -4.465 -43.613 1.00 14.24 H new ATOM 0 HA ARG A 84 6.309 -3.848 -41.433 1.00 42.23 H new ATOM 0 HB2 ARG A 84 7.332 -2.196 -43.775 1.00 72.41 H new ATOM 0 HB3 ARG A 84 6.498 -1.516 -42.392 1.00 72.41 H new ATOM 0 HG2 ARG A 84 8.413 -2.860 -41.061 1.00 43.35 H new ATOM 0 HG3 ARG A 84 9.263 -2.647 -42.579 1.00 43.35 H new ATOM 0 HD2 ARG A 84 7.996 -0.150 -41.930 1.00 30.14 H new ATOM 0 HD3 ARG A 84 8.812 -0.721 -40.489 1.00 30.14 H new ATOM 0 HE ARG A 84 10.868 -0.313 -41.498 1.00 24.42 H new ATOM 0 HH11 ARG A 84 8.309 -0.402 -43.928 1.00 30.24 H new ATOM 0 HH12 ARG A 84 9.368 0.148 -45.231 1.00 30.24 H new ATOM 0 HH21 ARG A 84 12.222 0.393 -43.178 1.00 14.35 H new ATOM 0 HH22 ARG A 84 11.574 0.596 -44.808 1.00 14.35 H new ATOM 1338 N GLU A 85 4.936 -3.765 -44.427 1.00 51.11 N ATOM 1339 CA GLU A 85 3.660 -3.713 -45.131 1.00 55.12 C ATOM 1340 C GLU A 85 2.757 -4.869 -44.710 1.00 1.33 C ATOM 1341 O GLU A 85 1.576 -4.676 -44.422 1.00 32.23 O ATOM 1342 CB GLU A 85 3.886 -3.754 -46.644 1.00 75.34 C ATOM 1343 CG GLU A 85 4.850 -2.691 -47.144 1.00 45.21 C ATOM 1344 CD GLU A 85 4.380 -2.035 -48.428 1.00 21.03 C ATOM 1345 OE1 GLU A 85 4.441 -2.695 -49.487 1.00 42.31 O ATOM 1346 OE2 GLU A 85 3.950 -0.864 -48.374 1.00 3.32 O ATOM 0 H GLU A 85 5.741 -3.953 -45.025 1.00 51.11 H new ATOM 0 HA GLU A 85 3.168 -2.777 -44.868 1.00 55.12 H new ATOM 0 HB2 GLU A 85 4.268 -4.737 -46.919 1.00 75.34 H new ATOM 0 HB3 GLU A 85 2.928 -3.631 -47.150 1.00 75.34 H new ATOM 0 HG2 GLU A 85 4.975 -1.928 -46.375 1.00 45.21 H new ATOM 0 HG3 GLU A 85 5.829 -3.142 -47.308 1.00 45.21 H new ATOM 1353 N LEU A 86 3.323 -6.071 -44.675 1.00 22.40 N ATOM 1354 CA LEU A 86 2.570 -7.259 -44.289 1.00 21.33 C ATOM 1355 C LEU A 86 2.067 -7.143 -42.854 1.00 20.32 C ATOM 1356 O LEU A 86 0.891 -7.380 -42.577 1.00 2.34 O ATOM 1357 CB LEU A 86 3.442 -8.509 -44.435 1.00 74.11 C ATOM 1358 CG LEU A 86 3.933 -8.822 -45.850 1.00 10.31 C ATOM 1359 CD1 LEU A 86 5.234 -9.608 -45.800 1.00 65.15 C ATOM 1360 CD2 LEU A 86 2.872 -9.589 -46.624 1.00 0.22 C ATOM 0 H LEU A 86 4.300 -6.248 -44.909 1.00 22.40 H new ATOM 0 HA LEU A 86 1.708 -7.344 -44.951 1.00 21.33 H new ATOM 0 HB2 LEU A 86 4.311 -8.400 -43.786 1.00 74.11 H new ATOM 0 HB3 LEU A 86 2.877 -9.367 -44.070 1.00 74.11 H new ATOM 0 HG LEU A 86 4.121 -7.881 -46.367 1.00 10.31 H new ATOM 0 HD11 LEU A 86 5.569 -9.822 -46.815 1.00 65.15 H new ATOM 0 HD12 LEU A 86 5.994 -9.022 -45.283 1.00 65.15 H new ATOM 0 HD13 LEU A 86 5.073 -10.544 -45.266 1.00 65.15 H new ATOM 0 HD21 LEU A 86 3.238 -9.803 -47.628 1.00 0.22 H new ATOM 0 HD22 LEU A 86 2.652 -10.525 -46.110 1.00 0.22 H new ATOM 0 HD23 LEU A 86 1.964 -8.989 -46.689 1.00 0.22 H new ATOM 1372 N MET A 87 2.964 -6.774 -41.946 1.00 55.22 N ATOM 1373 CA MET A 87 2.609 -6.623 -40.539 1.00 3.41 C ATOM 1374 C MET A 87 1.634 -5.466 -40.346 1.00 3.31 C ATOM 1375 O MET A 87 0.775 -5.504 -39.463 1.00 33.02 O ATOM 1376 CB MET A 87 3.865 -6.393 -39.696 1.00 13.51 C ATOM 1377 CG MET A 87 4.464 -7.672 -39.136 1.00 72.40 C ATOM 1378 SD MET A 87 5.122 -8.751 -40.422 1.00 23.01 S ATOM 1379 CE MET A 87 3.713 -9.814 -40.727 1.00 34.44 C ATOM 0 H MET A 87 3.941 -6.574 -42.159 1.00 55.22 H new ATOM 0 HA MET A 87 2.124 -7.542 -40.211 1.00 3.41 H new ATOM 0 HB2 MET A 87 4.614 -5.887 -40.305 1.00 13.51 H new ATOM 0 HB3 MET A 87 3.621 -5.724 -38.871 1.00 13.51 H new ATOM 0 HG2 MET A 87 5.261 -7.420 -38.436 1.00 72.40 H new ATOM 0 HG3 MET A 87 3.702 -8.209 -38.571 1.00 72.40 H new ATOM 0 HE1 MET A 87 4.019 -10.857 -40.643 1.00 34.44 H new ATOM 0 HE2 MET A 87 2.934 -9.605 -39.994 1.00 34.44 H new ATOM 0 HE3 MET A 87 3.327 -9.628 -41.730 1.00 34.44 H new ATOM 1389 N LEU A 88 1.771 -4.437 -41.176 1.00 0.04 N ATOM 1390 CA LEU A 88 0.902 -3.269 -41.096 1.00 32.32 C ATOM 1391 C LEU A 88 -0.541 -3.639 -41.425 1.00 31.41 C ATOM 1392 O LEU A 88 -1.444 -3.437 -40.615 1.00 51.04 O ATOM 1393 CB LEU A 88 1.391 -2.179 -42.052 1.00 71.42 C ATOM 1394 CG LEU A 88 0.534 -0.915 -42.124 1.00 15.31 C ATOM 1395 CD1 LEU A 88 1.396 0.298 -42.438 1.00 0.02 C ATOM 1396 CD2 LEU A 88 -0.565 -1.074 -43.165 1.00 33.15 C ATOM 0 H LEU A 88 2.476 -4.389 -41.912 1.00 0.04 H new ATOM 0 HA LEU A 88 0.937 -2.891 -40.074 1.00 32.32 H new ATOM 0 HB2 LEU A 88 2.401 -1.893 -41.758 1.00 71.42 H new ATOM 0 HB3 LEU A 88 1.459 -2.605 -43.053 1.00 71.42 H new ATOM 0 HG LEU A 88 0.067 -0.761 -41.151 1.00 15.31 H new ATOM 0 HD11 LEU A 88 0.768 1.188 -42.485 1.00 0.02 H new ATOM 0 HD12 LEU A 88 2.146 0.424 -41.657 1.00 0.02 H new ATOM 0 HD13 LEU A 88 1.893 0.153 -43.397 1.00 0.02 H new ATOM 0 HD21 LEU A 88 -1.165 -0.165 -43.202 1.00 33.15 H new ATOM 0 HD22 LEU A 88 -0.117 -1.254 -44.142 1.00 33.15 H new ATOM 0 HD23 LEU A 88 -1.201 -1.918 -42.897 1.00 33.15 H new ATOM 1408 N ALA A 89 -0.748 -4.185 -42.619 1.00 5.24 N ATOM 1409 CA ALA A 89 -2.080 -4.588 -43.053 1.00 72.31 C ATOM 1410 C ALA A 89 -2.565 -5.808 -42.277 1.00 53.31 C ATOM 1411 O ALA A 89 -3.768 -6.026 -42.135 1.00 61.11 O ATOM 1412 CB ALA A 89 -2.084 -4.876 -44.547 1.00 53.34 C ATOM 0 H ALA A 89 -0.011 -4.358 -43.302 1.00 5.24 H new ATOM 0 HA ALA A 89 -2.765 -3.765 -42.850 1.00 72.31 H new ATOM 0 HB1 ALA A 89 -3.085 -5.176 -44.857 1.00 53.34 H new ATOM 0 HB2 ALA A 89 -1.789 -3.979 -45.091 1.00 53.34 H new ATOM 0 HB3 ALA A 89 -1.381 -5.680 -44.764 1.00 53.34 H new ATOM 1418 N GLN A 90 -1.621 -6.599 -41.777 1.00 12.11 N ATOM 1419 CA GLN A 90 -1.954 -7.798 -41.016 1.00 12.45 C ATOM 1420 C GLN A 90 -1.126 -7.878 -39.738 1.00 41.24 C ATOM 1421 O GLN A 90 -0.192 -8.672 -39.623 1.00 10.03 O ATOM 1422 CB GLN A 90 -1.723 -9.047 -41.868 1.00 3.41 C ATOM 1423 CG GLN A 90 -2.826 -9.308 -42.879 1.00 23.53 C ATOM 1424 CD GLN A 90 -2.528 -10.493 -43.777 1.00 74.41 C ATOM 1425 OE1 GLN A 90 -2.713 -10.428 -44.992 1.00 50.25 O ATOM 1426 NE2 GLN A 90 -2.064 -11.585 -43.182 1.00 33.14 N ATOM 0 H GLN A 90 -0.621 -6.432 -41.885 1.00 12.11 H new ATOM 0 HA GLN A 90 -3.007 -7.744 -40.741 1.00 12.45 H new ATOM 0 HB2 GLN A 90 -0.775 -8.946 -42.396 1.00 3.41 H new ATOM 0 HB3 GLN A 90 -1.632 -9.912 -41.211 1.00 3.41 H new ATOM 0 HG2 GLN A 90 -3.763 -9.484 -42.351 1.00 23.53 H new ATOM 0 HG3 GLN A 90 -2.968 -8.419 -43.493 1.00 23.53 H new ATOM 0 HE21 GLN A 90 -1.925 -11.595 -42.172 1.00 33.14 H new ATOM 0 HE22 GLN A 90 -1.846 -12.414 -43.735 1.00 33.14 H new ATOM 1435 N PRO A 91 -1.474 -7.037 -38.753 1.00 51.14 N ATOM 1436 CA PRO A 91 -0.776 -6.993 -37.465 1.00 32.24 C ATOM 1437 C PRO A 91 -1.033 -8.239 -36.624 1.00 54.10 C ATOM 1438 O PRO A 91 -0.382 -8.455 -35.603 1.00 35.34 O ATOM 1439 CB PRO A 91 -1.366 -5.756 -36.784 1.00 71.34 C ATOM 1440 CG PRO A 91 -2.711 -5.588 -37.401 1.00 71.22 C ATOM 1441 CD PRO A 91 -2.577 -6.062 -38.822 1.00 34.13 C ATOM 0 HA PRO A 91 0.306 -6.952 -37.589 1.00 32.24 H new ATOM 0 HB2 PRO A 91 -1.440 -5.896 -35.706 1.00 71.34 H new ATOM 0 HB3 PRO A 91 -0.742 -4.878 -36.950 1.00 71.34 H new ATOM 0 HG2 PRO A 91 -3.462 -6.169 -36.865 1.00 71.22 H new ATOM 0 HG3 PRO A 91 -3.029 -4.546 -37.366 1.00 71.22 H new ATOM 0 HD2 PRO A 91 -3.498 -6.522 -39.181 1.00 34.13 H new ATOM 0 HD3 PRO A 91 -2.345 -5.240 -39.500 1.00 34.13 H new ATOM 1449 N SER A 92 -1.987 -9.055 -37.061 1.00 20.51 N ATOM 1450 CA SER A 92 -2.333 -10.278 -36.346 1.00 11.34 C ATOM 1451 C SER A 92 -1.120 -11.195 -36.220 1.00 43.02 C ATOM 1452 O SER A 92 -1.064 -12.051 -35.338 1.00 60.53 O ATOM 1453 CB SER A 92 -3.467 -11.010 -37.064 1.00 1.20 C ATOM 1454 OG SER A 92 -3.223 -11.087 -38.458 1.00 33.02 O ATOM 0 H SER A 92 -2.534 -8.891 -37.906 1.00 20.51 H new ATOM 0 HA SER A 92 -2.665 -10.003 -35.345 1.00 11.34 H new ATOM 0 HB2 SER A 92 -3.572 -12.015 -36.654 1.00 1.20 H new ATOM 0 HB3 SER A 92 -4.409 -10.492 -36.885 1.00 1.20 H new ATOM 0 HG SER A 92 -3.962 -11.561 -38.894 1.00 33.02 H new ATOM 1460 N MET A 93 -0.150 -11.009 -37.109 1.00 64.00 N ATOM 1461 CA MET A 93 1.063 -11.817 -37.098 1.00 11.03 C ATOM 1462 C MET A 93 2.047 -11.308 -36.050 1.00 22.03 C ATOM 1463 O MET A 93 2.952 -12.029 -35.631 1.00 62.52 O ATOM 1464 CB MET A 93 1.721 -11.808 -38.479 1.00 21.24 C ATOM 1465 CG MET A 93 1.266 -12.947 -39.377 1.00 71.33 C ATOM 1466 SD MET A 93 1.225 -12.483 -41.120 1.00 63.23 S ATOM 1467 CE MET A 93 2.008 -13.909 -41.868 1.00 50.03 C ATOM 0 H MET A 93 -0.181 -10.305 -37.847 1.00 64.00 H new ATOM 0 HA MET A 93 0.785 -12.840 -36.843 1.00 11.03 H new ATOM 0 HB2 MET A 93 1.503 -10.860 -38.970 1.00 21.24 H new ATOM 0 HB3 MET A 93 2.803 -11.862 -38.357 1.00 21.24 H new ATOM 0 HG2 MET A 93 1.936 -13.797 -39.247 1.00 71.33 H new ATOM 0 HG3 MET A 93 0.273 -13.274 -39.068 1.00 71.33 H new ATOM 0 HE1 MET A 93 2.057 -13.772 -42.948 1.00 50.03 H new ATOM 0 HE2 MET A 93 3.017 -14.021 -41.470 1.00 50.03 H new ATOM 0 HE3 MET A 93 1.428 -14.803 -41.641 1.00 50.03 H new ATOM 1477 N VAL A 94 1.863 -10.061 -35.630 1.00 52.44 N ATOM 1478 CA VAL A 94 2.734 -9.454 -34.629 1.00 10.35 C ATOM 1479 C VAL A 94 2.774 -10.291 -33.356 1.00 43.41 C ATOM 1480 O VAL A 94 1.753 -10.820 -32.914 1.00 40.44 O ATOM 1481 CB VAL A 94 2.277 -8.026 -34.278 1.00 33.42 C ATOM 1482 CG1 VAL A 94 3.189 -7.417 -33.225 1.00 75.05 C ATOM 1483 CG2 VAL A 94 2.235 -7.158 -35.526 1.00 35.21 C ATOM 0 H VAL A 94 1.119 -9.450 -35.967 1.00 52.44 H new ATOM 0 HA VAL A 94 3.733 -9.410 -35.063 1.00 10.35 H new ATOM 0 HB VAL A 94 1.269 -8.077 -33.865 1.00 33.42 H new ATOM 0 HG11 VAL A 94 2.850 -6.408 -32.990 1.00 75.05 H new ATOM 0 HG12 VAL A 94 3.162 -8.028 -32.323 1.00 75.05 H new ATOM 0 HG13 VAL A 94 4.209 -7.378 -33.606 1.00 75.05 H new ATOM 0 HG21 VAL A 94 1.910 -6.152 -35.259 1.00 35.21 H new ATOM 0 HG22 VAL A 94 3.229 -7.112 -35.971 1.00 35.21 H new ATOM 0 HG23 VAL A 94 1.536 -7.587 -36.244 1.00 35.21 H new ATOM 1493 N LYS A 95 3.959 -10.408 -32.768 1.00 21.24 N ATOM 1494 CA LYS A 95 4.134 -11.179 -31.542 1.00 1.24 C ATOM 1495 C LYS A 95 3.129 -10.747 -30.480 1.00 13.35 C ATOM 1496 O LYS A 95 2.576 -9.649 -30.546 1.00 52.22 O ATOM 1497 CB LYS A 95 5.560 -11.014 -31.011 1.00 62.41 C ATOM 1498 CG LYS A 95 5.975 -12.102 -30.037 1.00 12.43 C ATOM 1499 CD LYS A 95 5.832 -11.645 -28.595 1.00 23.31 C ATOM 1500 CE LYS A 95 5.479 -12.804 -27.675 1.00 33.13 C ATOM 1501 NZ LYS A 95 6.693 -13.499 -27.166 1.00 64.41 N ATOM 0 H LYS A 95 4.814 -9.978 -33.121 1.00 21.24 H new ATOM 0 HA LYS A 95 3.960 -12.230 -31.774 1.00 1.24 H new ATOM 0 HB2 LYS A 95 6.253 -11.007 -31.852 1.00 62.41 H new ATOM 0 HB3 LYS A 95 5.646 -10.045 -30.519 1.00 62.41 H new ATOM 0 HG2 LYS A 95 5.364 -12.990 -30.200 1.00 12.43 H new ATOM 0 HG3 LYS A 95 7.010 -12.387 -30.228 1.00 12.43 H new ATOM 0 HD2 LYS A 95 6.764 -11.187 -28.263 1.00 23.31 H new ATOM 0 HD3 LYS A 95 5.059 -10.879 -28.530 1.00 23.31 H new ATOM 0 HE2 LYS A 95 4.893 -12.434 -26.834 1.00 33.13 H new ATOM 0 HE3 LYS A 95 4.852 -13.516 -28.212 1.00 33.13 H new ATOM 0 HZ1 LYS A 95 6.632 -14.513 -27.390 1.00 64.41 H new ATOM 0 HZ2 LYS A 95 7.539 -13.095 -27.617 1.00 64.41 H new ATOM 0 HZ3 LYS A 95 6.757 -13.375 -26.135 1.00 64.41 H new ATOM 1515 N ARG A 96 2.900 -11.616 -29.501 1.00 23.43 N ATOM 1516 CA ARG A 96 1.962 -11.323 -28.423 1.00 52.42 C ATOM 1517 C ARG A 96 2.003 -12.413 -27.356 1.00 73.24 C ATOM 1518 O ARG A 96 2.355 -13.563 -27.621 1.00 25.00 O ATOM 1519 CB ARG A 96 0.543 -11.190 -28.977 1.00 2.41 C ATOM 1520 CG ARG A 96 -0.122 -12.524 -29.279 1.00 32.35 C ATOM 1521 CD ARG A 96 0.535 -13.217 -30.463 1.00 1.31 C ATOM 1522 NE ARG A 96 1.348 -14.356 -30.048 1.00 4.33 N ATOM 1523 CZ ARG A 96 1.733 -15.324 -30.873 1.00 22.53 C ATOM 1524 NH1 ARG A 96 1.382 -15.288 -32.152 1.00 21.10 N ATOM 1525 NH2 ARG A 96 2.472 -16.329 -30.421 1.00 31.42 N ATOM 0 H ARG A 96 3.351 -12.528 -29.432 1.00 23.43 H new ATOM 0 HA ARG A 96 2.256 -10.379 -27.965 1.00 52.42 H new ATOM 0 HB2 ARG A 96 -0.068 -10.643 -28.259 1.00 2.41 H new ATOM 0 HB3 ARG A 96 0.573 -10.594 -29.889 1.00 2.41 H new ATOM 0 HG2 ARG A 96 -0.065 -13.168 -28.401 1.00 32.35 H new ATOM 0 HG3 ARG A 96 -1.180 -12.365 -29.489 1.00 32.35 H new ATOM 0 HD2 ARG A 96 -0.234 -13.555 -31.158 1.00 1.31 H new ATOM 0 HD3 ARG A 96 1.159 -12.503 -31.000 1.00 1.31 H new ATOM 0 HE ARG A 96 1.636 -14.412 -29.071 1.00 4.33 H new ATOM 0 HH11 ARG A 96 0.816 -14.516 -32.504 1.00 21.10 H new ATOM 0 HH12 ARG A 96 1.679 -16.032 -32.783 1.00 21.10 H new ATOM 0 HH21 ARG A 96 2.745 -16.359 -29.439 1.00 31.42 H new ATOM 0 HH22 ARG A 96 2.767 -17.071 -31.056 1.00 31.42 H new ATOM 1539 N PRO A 97 1.634 -12.045 -26.120 1.00 5.45 N ATOM 1540 CA PRO A 97 1.214 -10.680 -25.793 1.00 55.21 C ATOM 1541 C PRO A 97 2.371 -9.688 -25.850 1.00 1.12 C ATOM 1542 O PRO A 97 3.537 -10.080 -25.892 1.00 11.34 O ATOM 1543 CB PRO A 97 0.687 -10.804 -24.362 1.00 63.23 C ATOM 1544 CG PRO A 97 1.398 -11.985 -23.797 1.00 53.40 C ATOM 1545 CD PRO A 97 1.602 -12.933 -24.946 1.00 14.11 C ATOM 0 HA PRO A 97 0.478 -10.300 -26.501 1.00 55.21 H new ATOM 0 HB2 PRO A 97 0.895 -9.903 -23.784 1.00 63.23 H new ATOM 0 HB3 PRO A 97 -0.393 -10.949 -24.349 1.00 63.23 H new ATOM 0 HG2 PRO A 97 2.352 -11.693 -23.358 1.00 53.40 H new ATOM 0 HG3 PRO A 97 0.812 -12.452 -23.005 1.00 53.40 H new ATOM 0 HD2 PRO A 97 2.530 -13.496 -24.843 1.00 14.11 H new ATOM 0 HD3 PRO A 97 0.794 -13.661 -25.015 1.00 14.11 H new ATOM 1553 N VAL A 98 2.041 -8.399 -25.850 1.00 75.11 N ATOM 1554 CA VAL A 98 3.053 -7.351 -25.901 1.00 22.51 C ATOM 1555 C VAL A 98 2.832 -6.321 -24.798 1.00 20.24 C ATOM 1556 O VAL A 98 1.733 -5.790 -24.639 1.00 74.34 O ATOM 1557 CB VAL A 98 3.051 -6.634 -27.264 1.00 62.21 C ATOM 1558 CG1 VAL A 98 4.102 -5.535 -27.290 1.00 65.22 C ATOM 1559 CG2 VAL A 98 3.281 -7.631 -28.389 1.00 73.13 C ATOM 0 H VAL A 98 1.081 -8.057 -25.815 1.00 75.11 H new ATOM 0 HA VAL A 98 4.018 -7.836 -25.755 1.00 22.51 H new ATOM 0 HB VAL A 98 2.075 -6.173 -27.412 1.00 62.21 H new ATOM 0 HG11 VAL A 98 4.086 -5.039 -28.261 1.00 65.22 H new ATOM 0 HG12 VAL A 98 3.887 -4.807 -26.507 1.00 65.22 H new ATOM 0 HG13 VAL A 98 5.087 -5.970 -27.121 1.00 65.22 H new ATOM 0 HG21 VAL A 98 3.277 -7.108 -29.345 1.00 73.13 H new ATOM 0 HG22 VAL A 98 4.244 -8.122 -28.249 1.00 73.13 H new ATOM 0 HG23 VAL A 98 2.488 -8.378 -28.381 1.00 73.13 H new ATOM 1569 N LEU A 99 3.885 -6.044 -24.037 1.00 44.10 N ATOM 1570 CA LEU A 99 3.808 -5.077 -22.947 1.00 22.24 C ATOM 1571 C LEU A 99 4.638 -3.836 -23.260 1.00 30.44 C ATOM 1572 O LEU A 99 5.849 -3.923 -23.455 1.00 63.23 O ATOM 1573 CB LEU A 99 4.290 -5.711 -21.641 1.00 31.22 C ATOM 1574 CG LEU A 99 3.263 -6.556 -20.886 1.00 2.12 C ATOM 1575 CD1 LEU A 99 2.821 -7.741 -21.732 1.00 64.20 C ATOM 1576 CD2 LEU A 99 3.836 -7.031 -19.558 1.00 2.44 C ATOM 0 H LEU A 99 4.802 -6.475 -24.154 1.00 44.10 H new ATOM 0 HA LEU A 99 2.766 -4.776 -22.835 1.00 22.24 H new ATOM 0 HB2 LEU A 99 5.154 -6.337 -21.862 1.00 31.22 H new ATOM 0 HB3 LEU A 99 4.633 -4.916 -20.979 1.00 31.22 H new ATOM 0 HG LEU A 99 2.390 -5.936 -20.682 1.00 2.12 H new ATOM 0 HD11 LEU A 99 2.090 -8.331 -21.179 1.00 64.20 H new ATOM 0 HD12 LEU A 99 2.371 -7.380 -22.657 1.00 64.20 H new ATOM 0 HD13 LEU A 99 3.685 -8.362 -21.968 1.00 64.20 H new ATOM 0 HD21 LEU A 99 3.092 -7.631 -19.034 1.00 2.44 H new ATOM 0 HD22 LEU A 99 4.725 -7.634 -19.740 1.00 2.44 H new ATOM 0 HD23 LEU A 99 4.102 -6.168 -18.947 1.00 2.44 H new ATOM 1588 N GLU A 100 3.977 -2.683 -23.305 1.00 64.22 N ATOM 1589 CA GLU A 100 4.655 -1.426 -23.592 1.00 43.31 C ATOM 1590 C GLU A 100 4.892 -0.630 -22.312 1.00 30.33 C ATOM 1591 O GLU A 100 4.021 -0.553 -21.447 1.00 5.33 O ATOM 1592 CB GLU A 100 3.835 -0.592 -24.579 1.00 12.53 C ATOM 1593 CG GLU A 100 4.667 0.390 -25.386 1.00 51.33 C ATOM 1594 CD GLU A 100 3.887 1.629 -25.782 1.00 23.35 C ATOM 1595 OE1 GLU A 100 3.110 2.132 -24.943 1.00 3.32 O ATOM 1596 OE2 GLU A 100 4.052 2.094 -26.928 1.00 13.23 O ATOM 0 H GLU A 100 2.973 -2.595 -23.146 1.00 64.22 H new ATOM 0 HA GLU A 100 5.622 -1.659 -24.039 1.00 43.31 H new ATOM 0 HB2 GLU A 100 3.315 -1.262 -25.263 1.00 12.53 H new ATOM 0 HB3 GLU A 100 3.071 -0.042 -24.030 1.00 12.53 H new ATOM 0 HG2 GLU A 100 5.540 0.685 -24.803 1.00 51.33 H new ATOM 0 HG3 GLU A 100 5.036 -0.105 -26.284 1.00 51.33 H new ATOM 1603 N ARG A 101 6.078 -0.040 -22.200 1.00 4.25 N ATOM 1604 CA ARG A 101 6.432 0.748 -21.026 1.00 32.41 C ATOM 1605 C ARG A 101 7.792 1.414 -21.208 1.00 74.21 C ATOM 1606 O ARG A 101 8.714 0.824 -21.771 1.00 12.55 O ATOM 1607 CB ARG A 101 6.449 -0.137 -19.778 1.00 44.21 C ATOM 1608 CG ARG A 101 7.264 -1.409 -19.943 1.00 1.21 C ATOM 1609 CD ARG A 101 7.672 -1.988 -18.597 1.00 54.35 C ATOM 1610 NE ARG A 101 6.567 -2.682 -17.942 1.00 52.24 N ATOM 1611 CZ ARG A 101 6.591 -3.066 -16.671 1.00 25.22 C ATOM 1612 NH1 ARG A 101 7.657 -2.824 -15.922 1.00 24.34 N ATOM 1613 NH2 ARG A 101 5.546 -3.693 -16.146 1.00 11.44 N ATOM 0 H ARG A 101 6.810 -0.093 -22.908 1.00 4.25 H new ATOM 0 HA ARG A 101 5.679 1.526 -20.902 1.00 32.41 H new ATOM 0 HB2 ARG A 101 6.851 0.436 -18.942 1.00 44.21 H new ATOM 0 HB3 ARG A 101 5.424 -0.403 -19.518 1.00 44.21 H new ATOM 0 HG2 ARG A 101 6.682 -2.146 -20.496 1.00 1.21 H new ATOM 0 HG3 ARG A 101 8.155 -1.197 -20.534 1.00 1.21 H new ATOM 0 HD2 ARG A 101 8.503 -2.680 -18.737 1.00 54.35 H new ATOM 0 HD3 ARG A 101 8.030 -1.186 -17.951 1.00 54.35 H new ATOM 0 HE ARG A 101 5.731 -2.883 -18.491 1.00 52.24 H new ATOM 0 HH11 ARG A 101 8.462 -2.342 -16.321 1.00 24.34 H new ATOM 0 HH12 ARG A 101 7.672 -3.120 -14.946 1.00 24.34 H new ATOM 0 HH21 ARG A 101 4.723 -3.881 -16.719 1.00 11.44 H new ATOM 0 HH22 ARG A 101 5.566 -3.987 -15.170 1.00 11.44 H new ATOM 1627 N ASP A 102 7.910 2.647 -20.728 1.00 73.03 N ATOM 1628 CA ASP A 102 9.158 3.395 -20.837 1.00 63.23 C ATOM 1629 C ASP A 102 9.618 3.473 -22.289 1.00 24.24 C ATOM 1630 O ASP A 102 10.814 3.417 -22.574 1.00 10.42 O ATOM 1631 CB ASP A 102 10.243 2.744 -19.978 1.00 41.13 C ATOM 1632 CG ASP A 102 11.385 3.693 -19.671 1.00 72.41 C ATOM 1633 OD1 ASP A 102 11.251 4.898 -19.971 1.00 51.21 O ATOM 1634 OD2 ASP A 102 12.412 3.231 -19.132 1.00 22.03 O ATOM 0 H ASP A 102 7.157 3.150 -20.259 1.00 73.03 H new ATOM 0 HA ASP A 102 8.980 4.408 -20.476 1.00 63.23 H new ATOM 0 HB2 ASP A 102 9.803 2.396 -19.044 1.00 41.13 H new ATOM 0 HB3 ASP A 102 10.632 1.866 -20.493 1.00 41.13 H new ATOM 1639 N GLY A 103 8.662 3.602 -23.202 1.00 2.43 N ATOM 1640 CA GLY A 103 8.989 3.684 -24.613 1.00 31.54 C ATOM 1641 C GLY A 103 9.667 2.429 -25.126 1.00 30.50 C ATOM 1642 O GLY A 103 10.269 2.433 -26.200 1.00 10.41 O ATOM 0 H GLY A 103 7.666 3.651 -22.990 1.00 2.43 H new ATOM 0 HA2 GLY A 103 8.077 3.860 -25.184 1.00 31.54 H new ATOM 0 HA3 GLY A 103 9.641 4.541 -24.782 1.00 31.54 H new ATOM 1646 N LYS A 104 9.570 1.351 -24.357 1.00 25.14 N ATOM 1647 CA LYS A 104 10.177 0.081 -24.737 1.00 25.34 C ATOM 1648 C LYS A 104 9.120 -1.011 -24.870 1.00 14.23 C ATOM 1649 O LYS A 104 8.199 -1.099 -24.057 1.00 31.24 O ATOM 1650 CB LYS A 104 11.228 -0.335 -23.705 1.00 11.12 C ATOM 1651 CG LYS A 104 12.098 -1.496 -24.156 1.00 33.24 C ATOM 1652 CD LYS A 104 13.124 -1.867 -23.099 1.00 41.15 C ATOM 1653 CE LYS A 104 13.865 -3.144 -23.466 1.00 4.32 C ATOM 1654 NZ LYS A 104 14.576 -3.018 -24.768 1.00 32.45 N ATOM 0 H LYS A 104 9.076 1.331 -23.465 1.00 25.14 H new ATOM 0 HA LYS A 104 10.660 0.214 -25.705 1.00 25.34 H new ATOM 0 HB2 LYS A 104 11.865 0.521 -23.483 1.00 11.12 H new ATOM 0 HB3 LYS A 104 10.726 -0.608 -22.777 1.00 11.12 H new ATOM 0 HG2 LYS A 104 11.470 -2.360 -24.373 1.00 33.24 H new ATOM 0 HG3 LYS A 104 12.608 -1.231 -25.082 1.00 33.24 H new ATOM 0 HD2 LYS A 104 13.838 -1.052 -22.981 1.00 41.15 H new ATOM 0 HD3 LYS A 104 12.627 -1.997 -22.138 1.00 41.15 H new ATOM 0 HE2 LYS A 104 14.583 -3.385 -22.682 1.00 4.32 H new ATOM 0 HE3 LYS A 104 13.158 -3.972 -23.517 1.00 4.32 H new ATOM 0 HZ1 LYS A 104 15.150 -3.869 -24.934 1.00 32.45 H new ATOM 0 HZ2 LYS A 104 13.881 -2.914 -25.535 1.00 32.45 H new ATOM 0 HZ3 LYS A 104 15.195 -2.182 -24.746 1.00 32.45 H new ATOM 1668 N LEU A 105 9.259 -1.840 -25.897 1.00 31.53 N ATOM 1669 CA LEU A 105 8.316 -2.928 -26.135 1.00 20.33 C ATOM 1670 C LEU A 105 8.850 -4.244 -25.578 1.00 75.31 C ATOM 1671 O LEU A 105 9.990 -4.624 -25.843 1.00 23.42 O ATOM 1672 CB LEU A 105 8.040 -3.071 -27.633 1.00 32.41 C ATOM 1673 CG LEU A 105 6.655 -3.599 -28.012 1.00 52.15 C ATOM 1674 CD1 LEU A 105 5.568 -2.677 -27.483 1.00 35.41 C ATOM 1675 CD2 LEU A 105 6.538 -3.753 -29.521 1.00 22.22 C ATOM 0 H LEU A 105 10.015 -1.781 -26.579 1.00 31.53 H new ATOM 0 HA LEU A 105 7.385 -2.688 -25.621 1.00 20.33 H new ATOM 0 HB2 LEU A 105 8.176 -2.097 -28.102 1.00 32.41 H new ATOM 0 HB3 LEU A 105 8.790 -3.738 -28.059 1.00 32.41 H new ATOM 0 HG LEU A 105 6.524 -4.580 -27.555 1.00 52.15 H new ATOM 0 HD11 LEU A 105 4.590 -3.069 -27.763 1.00 35.41 H new ATOM 0 HD12 LEU A 105 5.638 -2.618 -26.397 1.00 35.41 H new ATOM 0 HD13 LEU A 105 5.695 -1.682 -27.910 1.00 35.41 H new ATOM 0 HD21 LEU A 105 5.547 -4.130 -29.773 1.00 22.22 H new ATOM 0 HD22 LEU A 105 6.690 -2.785 -29.998 1.00 22.22 H new ATOM 0 HD23 LEU A 105 7.293 -4.455 -29.875 1.00 22.22 H new ATOM 1687 N MET A 106 8.018 -4.935 -24.806 1.00 74.33 N ATOM 1688 CA MET A 106 8.406 -6.209 -24.214 1.00 20.31 C ATOM 1689 C MET A 106 7.588 -7.354 -24.804 1.00 43.33 C ATOM 1690 O MET A 106 6.399 -7.201 -25.084 1.00 3.02 O ATOM 1691 CB MET A 106 8.225 -6.168 -22.696 1.00 44.33 C ATOM 1692 CG MET A 106 8.956 -7.283 -21.965 1.00 71.01 C ATOM 1693 SD MET A 106 10.736 -7.008 -21.882 1.00 50.21 S ATOM 1694 CE MET A 106 10.842 -5.905 -20.475 1.00 61.54 C ATOM 0 H MET A 106 7.071 -4.634 -24.576 1.00 74.33 H new ATOM 0 HA MET A 106 9.458 -6.381 -24.442 1.00 20.31 H new ATOM 0 HB2 MET A 106 8.579 -5.207 -22.322 1.00 44.33 H new ATOM 0 HB3 MET A 106 7.162 -6.229 -22.464 1.00 44.33 H new ATOM 0 HG2 MET A 106 8.558 -7.371 -20.954 1.00 71.01 H new ATOM 0 HG3 MET A 106 8.762 -8.230 -22.468 1.00 71.01 H new ATOM 0 HE1 MET A 106 11.885 -5.643 -20.296 1.00 61.54 H new ATOM 0 HE2 MET A 106 10.270 -5.000 -20.678 1.00 61.54 H new ATOM 0 HE3 MET A 106 10.436 -6.400 -19.593 1.00 61.54 H new ATOM 1704 N VAL A 107 8.233 -8.501 -24.991 1.00 75.01 N ATOM 1705 CA VAL A 107 7.565 -9.672 -25.547 1.00 61.12 C ATOM 1706 C VAL A 107 6.987 -10.552 -24.444 1.00 44.11 C ATOM 1707 O VAL A 107 7.613 -10.752 -23.404 1.00 61.33 O ATOM 1708 CB VAL A 107 8.528 -10.512 -26.407 1.00 11.11 C ATOM 1709 CG1 VAL A 107 8.913 -9.757 -27.670 1.00 22.41 C ATOM 1710 CG2 VAL A 107 9.764 -10.892 -25.607 1.00 1.13 C ATOM 0 H VAL A 107 9.217 -8.644 -24.766 1.00 75.01 H new ATOM 0 HA VAL A 107 6.754 -9.304 -26.176 1.00 61.12 H new ATOM 0 HB VAL A 107 8.018 -11.429 -26.701 1.00 11.11 H new ATOM 0 HG11 VAL A 107 9.594 -10.366 -28.265 1.00 22.41 H new ATOM 0 HG12 VAL A 107 8.017 -9.541 -28.252 1.00 22.41 H new ATOM 0 HG13 VAL A 107 9.405 -8.822 -27.400 1.00 22.41 H new ATOM 0 HG21 VAL A 107 10.433 -11.485 -26.231 1.00 1.13 H new ATOM 0 HG22 VAL A 107 10.278 -9.988 -25.281 1.00 1.13 H new ATOM 0 HG23 VAL A 107 9.468 -11.476 -24.735 1.00 1.13 H new ATOM 1720 N GLY A 108 5.789 -11.077 -24.679 1.00 3.25 N ATOM 1721 CA GLY A 108 5.147 -11.929 -23.696 1.00 34.24 C ATOM 1722 C GLY A 108 5.925 -13.204 -23.437 1.00 63.12 C ATOM 1723 O GLY A 108 6.308 -13.908 -24.373 1.00 74.34 O ATOM 0 H GLY A 108 5.251 -10.927 -25.533 1.00 3.25 H new ATOM 0 HA2 GLY A 108 5.035 -11.379 -22.761 1.00 34.24 H new ATOM 0 HA3 GLY A 108 4.144 -12.182 -24.039 1.00 34.24 H new ATOM 1727 N PHE A 109 6.163 -13.502 -22.165 1.00 65.53 N ATOM 1728 CA PHE A 109 6.905 -14.698 -21.784 1.00 34.22 C ATOM 1729 C PHE A 109 5.954 -15.846 -21.455 1.00 13.12 C ATOM 1730 O PHE A 109 4.895 -15.638 -20.861 1.00 33.42 O ATOM 1731 CB PHE A 109 7.806 -14.406 -20.583 1.00 43.33 C ATOM 1732 CG PHE A 109 9.187 -14.983 -20.716 1.00 4.44 C ATOM 1733 CD1 PHE A 109 9.976 -14.679 -21.813 1.00 64.54 C ATOM 1734 CD2 PHE A 109 9.695 -15.828 -19.742 1.00 74.21 C ATOM 1735 CE1 PHE A 109 11.247 -15.209 -21.937 1.00 30.44 C ATOM 1736 CE2 PHE A 109 10.965 -16.361 -19.861 1.00 22.11 C ATOM 1737 CZ PHE A 109 11.743 -16.050 -20.960 1.00 13.51 C ATOM 0 H PHE A 109 5.852 -12.931 -21.379 1.00 65.53 H new ATOM 0 HA PHE A 109 7.526 -14.994 -22.630 1.00 34.22 H new ATOM 0 HB2 PHE A 109 7.883 -13.327 -20.450 1.00 43.33 H new ATOM 0 HB3 PHE A 109 7.339 -14.805 -19.683 1.00 43.33 H new ATOM 0 HD1 PHE A 109 9.594 -14.021 -22.580 1.00 64.54 H new ATOM 0 HD2 PHE A 109 9.092 -16.073 -18.880 1.00 74.21 H new ATOM 0 HE1 PHE A 109 11.852 -14.965 -22.798 1.00 30.44 H new ATOM 0 HE2 PHE A 109 11.349 -17.020 -19.096 1.00 22.11 H new ATOM 0 HZ PHE A 109 12.736 -16.463 -21.055 1.00 13.51 H new ATOM 1747 N LYS A 110 6.339 -17.056 -21.845 1.00 53.10 N ATOM 1748 CA LYS A 110 5.523 -18.238 -21.591 1.00 31.01 C ATOM 1749 C LYS A 110 5.130 -18.321 -20.119 1.00 43.41 C ATOM 1750 O LYS A 110 5.762 -17.725 -19.248 1.00 73.41 O ATOM 1751 CB LYS A 110 6.281 -19.503 -22.001 1.00 1.21 C ATOM 1752 CG LYS A 110 6.201 -19.804 -23.487 1.00 30.45 C ATOM 1753 CD LYS A 110 4.926 -20.553 -23.837 1.00 25.15 C ATOM 1754 CE LYS A 110 5.024 -21.214 -25.204 1.00 71.12 C ATOM 1755 NZ LYS A 110 5.154 -20.210 -26.297 1.00 33.33 N ATOM 0 H LYS A 110 7.212 -17.244 -22.339 1.00 53.10 H new ATOM 0 HA LYS A 110 4.614 -18.158 -22.187 1.00 31.01 H new ATOM 0 HB2 LYS A 110 7.328 -19.398 -21.716 1.00 1.21 H new ATOM 0 HB3 LYS A 110 5.883 -20.352 -21.445 1.00 1.21 H new ATOM 0 HG2 LYS A 110 6.243 -18.872 -24.051 1.00 30.45 H new ATOM 0 HG3 LYS A 110 7.066 -20.396 -23.786 1.00 30.45 H new ATOM 0 HD2 LYS A 110 4.728 -21.311 -23.079 1.00 25.15 H new ATOM 0 HD3 LYS A 110 4.083 -19.863 -23.825 1.00 25.15 H new ATOM 0 HE2 LYS A 110 5.883 -21.885 -25.223 1.00 71.12 H new ATOM 0 HE3 LYS A 110 4.138 -21.826 -25.376 1.00 71.12 H new ATOM 0 HZ1 LYS A 110 5.218 -20.700 -27.212 1.00 33.33 H new ATOM 0 HZ2 LYS A 110 4.322 -19.586 -26.296 1.00 33.33 H new ATOM 0 HZ3 LYS A 110 6.013 -19.643 -26.147 1.00 33.33 H new ATOM 1769 N PRO A 111 4.061 -19.081 -19.835 1.00 3.22 N ATOM 1770 CA PRO A 111 3.561 -19.262 -18.468 1.00 31.43 C ATOM 1771 C PRO A 111 4.506 -20.097 -17.611 1.00 53.03 C ATOM 1772 O PRO A 111 4.836 -19.721 -16.488 1.00 72.25 O ATOM 1773 CB PRO A 111 2.233 -19.995 -18.671 1.00 2.05 C ATOM 1774 CG PRO A 111 2.386 -20.702 -19.973 1.00 62.33 C ATOM 1775 CD PRO A 111 3.260 -19.821 -20.823 1.00 71.40 C ATOM 0 HA PRO A 111 3.463 -18.313 -17.940 1.00 31.43 H new ATOM 0 HB2 PRO A 111 2.040 -20.697 -17.860 1.00 2.05 H new ATOM 0 HB3 PRO A 111 1.396 -19.298 -18.695 1.00 2.05 H new ATOM 0 HG2 PRO A 111 2.840 -21.683 -19.833 1.00 62.33 H new ATOM 0 HG3 PRO A 111 1.417 -20.863 -20.446 1.00 62.33 H new ATOM 0 HD2 PRO A 111 3.889 -20.406 -21.494 1.00 71.40 H new ATOM 0 HD3 PRO A 111 2.669 -19.149 -21.446 1.00 71.40 H new ATOM 1783 N ALA A 112 4.938 -21.233 -18.150 1.00 62.44 N ATOM 1784 CA ALA A 112 5.847 -22.120 -17.435 1.00 52.52 C ATOM 1785 C ALA A 112 7.161 -21.416 -17.113 1.00 34.24 C ATOM 1786 O ALA A 112 7.747 -21.633 -16.053 1.00 74.33 O ATOM 1787 CB ALA A 112 6.105 -23.379 -18.250 1.00 45.03 C ATOM 0 H ALA A 112 4.673 -21.560 -19.079 1.00 62.44 H new ATOM 0 HA ALA A 112 5.376 -22.401 -16.493 1.00 52.52 H new ATOM 0 HB1 ALA A 112 6.785 -24.033 -17.704 1.00 45.03 H new ATOM 0 HB2 ALA A 112 5.163 -23.899 -18.424 1.00 45.03 H new ATOM 0 HB3 ALA A 112 6.551 -23.108 -19.207 1.00 45.03 H new ATOM 1793 N GLN A 113 7.617 -20.575 -18.035 1.00 34.25 N ATOM 1794 CA GLN A 113 8.863 -19.841 -17.849 1.00 42.12 C ATOM 1795 C GLN A 113 8.694 -18.735 -16.812 1.00 63.54 C ATOM 1796 O GLN A 113 9.505 -18.600 -15.895 1.00 30.03 O ATOM 1797 CB GLN A 113 9.331 -19.243 -19.177 1.00 62.35 C ATOM 1798 CG GLN A 113 9.392 -20.254 -20.310 1.00 53.13 C ATOM 1799 CD GLN A 113 10.460 -21.309 -20.095 1.00 30.34 C ATOM 1800 OE1 GLN A 113 10.175 -22.411 -19.628 1.00 1.43 O ATOM 1801 NE2 GLN A 113 11.699 -20.975 -20.437 1.00 31.33 N ATOM 0 H GLN A 113 7.143 -20.385 -18.918 1.00 34.25 H new ATOM 0 HA GLN A 113 9.617 -20.541 -17.488 1.00 42.12 H new ATOM 0 HB2 GLN A 113 8.658 -18.434 -19.459 1.00 62.35 H new ATOM 0 HB3 GLN A 113 10.319 -18.803 -19.040 1.00 62.35 H new ATOM 0 HG2 GLN A 113 8.422 -20.740 -20.410 1.00 53.13 H new ATOM 0 HG3 GLN A 113 9.586 -19.732 -21.247 1.00 53.13 H new ATOM 0 HE21 GLN A 113 11.890 -20.050 -20.821 1.00 31.33 H new ATOM 0 HE22 GLN A 113 12.459 -21.644 -20.316 1.00 31.33 H new ATOM 1810 N TYR A 114 7.636 -17.946 -16.963 1.00 74.31 N ATOM 1811 CA TYR A 114 7.362 -16.850 -16.042 1.00 32.54 C ATOM 1812 C TYR A 114 7.257 -17.358 -14.607 1.00 30.52 C ATOM 1813 O TYR A 114 7.792 -16.748 -13.681 1.00 21.43 O ATOM 1814 CB TYR A 114 6.069 -16.134 -16.437 1.00 52.21 C ATOM 1815 CG TYR A 114 6.075 -14.655 -16.124 1.00 71.23 C ATOM 1816 CD1 TYR A 114 7.125 -13.843 -16.536 1.00 2.14 C ATOM 1817 CD2 TYR A 114 5.032 -14.070 -15.418 1.00 72.04 C ATOM 1818 CE1 TYR A 114 7.134 -12.491 -16.252 1.00 70.32 C ATOM 1819 CE2 TYR A 114 5.033 -12.719 -15.131 1.00 0.14 C ATOM 1820 CZ TYR A 114 6.086 -11.934 -15.549 1.00 74.52 C ATOM 1821 OH TYR A 114 6.092 -10.586 -15.265 1.00 24.42 O ATOM 0 H TYR A 114 6.954 -18.045 -17.715 1.00 74.31 H new ATOM 0 HA TYR A 114 8.191 -16.145 -16.100 1.00 32.54 H new ATOM 0 HB2 TYR A 114 5.900 -16.270 -17.505 1.00 52.21 H new ATOM 0 HB3 TYR A 114 5.232 -16.603 -15.920 1.00 52.21 H new ATOM 0 HD1 TYR A 114 7.947 -14.276 -17.087 1.00 2.14 H new ATOM 0 HD2 TYR A 114 4.206 -14.682 -15.088 1.00 72.04 H new ATOM 0 HE1 TYR A 114 7.957 -11.873 -16.579 1.00 70.32 H new ATOM 0 HE2 TYR A 114 4.213 -12.280 -14.582 1.00 0.14 H new ATOM 0 HH TYR A 114 5.282 -10.353 -14.765 1.00 24.42 H new ATOM 1831 N GLU A 115 6.565 -18.478 -14.432 1.00 14.02 N ATOM 1832 CA GLU A 115 6.389 -19.069 -13.110 1.00 22.21 C ATOM 1833 C GLU A 115 7.701 -19.653 -12.597 1.00 15.44 C ATOM 1834 O GLU A 115 8.123 -19.372 -11.476 1.00 4.40 O ATOM 1835 CB GLU A 115 5.315 -20.157 -13.152 1.00 5.22 C ATOM 1836 CG GLU A 115 3.989 -19.682 -13.722 1.00 30.50 C ATOM 1837 CD GLU A 115 2.904 -19.577 -12.667 1.00 42.21 C ATOM 1838 OE1 GLU A 115 3.230 -19.225 -11.514 1.00 54.12 O ATOM 1839 OE2 GLU A 115 1.730 -19.847 -12.995 1.00 14.10 O ATOM 0 H GLU A 115 6.117 -18.995 -15.188 1.00 14.02 H new ATOM 0 HA GLU A 115 6.070 -18.281 -12.427 1.00 22.21 H new ATOM 0 HB2 GLU A 115 5.679 -20.992 -13.750 1.00 5.22 H new ATOM 0 HB3 GLU A 115 5.152 -20.534 -12.142 1.00 5.22 H new ATOM 0 HG2 GLU A 115 4.128 -18.709 -14.193 1.00 30.50 H new ATOM 0 HG3 GLU A 115 3.666 -20.371 -14.503 1.00 30.50 H new ATOM 1846 N ALA A 116 8.343 -20.470 -13.426 1.00 50.22 N ATOM 1847 CA ALA A 116 9.608 -21.094 -13.058 1.00 4.31 C ATOM 1848 C ALA A 116 10.667 -20.044 -12.744 1.00 51.44 C ATOM 1849 O ALA A 116 11.587 -20.289 -11.962 1.00 72.23 O ATOM 1850 CB ALA A 116 10.087 -22.013 -14.173 1.00 54.13 C ATOM 0 H ALA A 116 8.007 -20.715 -14.357 1.00 50.22 H new ATOM 0 HA ALA A 116 9.444 -21.687 -12.158 1.00 4.31 H new ATOM 0 HB1 ALA A 116 11.033 -22.472 -13.885 1.00 54.13 H new ATOM 0 HB2 ALA A 116 9.344 -22.791 -14.348 1.00 54.13 H new ATOM 0 HB3 ALA A 116 10.228 -21.434 -15.086 1.00 54.13 H new ATOM 1856 N TYR A 117 10.533 -18.873 -13.357 1.00 54.32 N ATOM 1857 CA TYR A 117 11.481 -17.785 -13.145 1.00 43.12 C ATOM 1858 C TYR A 117 11.168 -17.035 -11.854 1.00 23.32 C ATOM 1859 O TYR A 117 12.065 -16.726 -11.070 1.00 72.22 O ATOM 1860 CB TYR A 117 11.455 -16.819 -14.330 1.00 24.03 C ATOM 1861 CG TYR A 117 12.408 -15.656 -14.184 1.00 64.05 C ATOM 1862 CD1 TYR A 117 13.784 -15.848 -14.234 1.00 22.44 C ATOM 1863 CD2 TYR A 117 11.934 -14.363 -13.995 1.00 53.14 C ATOM 1864 CE1 TYR A 117 14.658 -14.788 -14.100 1.00 40.30 C ATOM 1865 CE2 TYR A 117 12.802 -13.297 -13.862 1.00 11.13 C ATOM 1866 CZ TYR A 117 14.163 -13.514 -13.914 1.00 14.53 C ATOM 1867 OH TYR A 117 15.031 -12.454 -13.781 1.00 31.20 O ATOM 0 H TYR A 117 9.777 -18.653 -14.005 1.00 54.32 H new ATOM 0 HA TYR A 117 12.478 -18.217 -13.060 1.00 43.12 H new ATOM 0 HB2 TYR A 117 11.700 -17.367 -15.240 1.00 24.03 H new ATOM 0 HB3 TYR A 117 10.442 -16.435 -14.453 1.00 24.03 H new ATOM 0 HD1 TYR A 117 14.176 -16.844 -14.380 1.00 22.44 H new ATOM 0 HD2 TYR A 117 10.869 -14.189 -13.951 1.00 53.14 H new ATOM 0 HE1 TYR A 117 15.724 -14.955 -14.141 1.00 40.30 H new ATOM 0 HE2 TYR A 117 12.417 -12.298 -13.718 1.00 11.13 H new ATOM 0 HH TYR A 117 14.520 -11.627 -13.658 1.00 31.20 H new ATOM 1877 N PHE A 118 9.889 -16.744 -11.643 1.00 14.14 N ATOM 1878 CA PHE A 118 9.456 -16.028 -10.448 1.00 2.10 C ATOM 1879 C PHE A 118 9.785 -16.823 -9.188 1.00 23.32 C ATOM 1880 O PHE A 118 10.128 -16.253 -8.152 1.00 14.34 O ATOM 1881 CB PHE A 118 7.952 -15.752 -10.510 1.00 24.24 C ATOM 1882 CG PHE A 118 7.568 -14.403 -9.974 1.00 65.14 C ATOM 1883 CD1 PHE A 118 7.851 -14.058 -8.662 1.00 41.02 C ATOM 1884 CD2 PHE A 118 6.923 -13.480 -10.781 1.00 55.11 C ATOM 1885 CE1 PHE A 118 7.498 -12.818 -8.165 1.00 73.25 C ATOM 1886 CE2 PHE A 118 6.568 -12.237 -10.290 1.00 41.31 C ATOM 1887 CZ PHE A 118 6.856 -11.905 -8.980 1.00 31.03 C ATOM 0 H PHE A 118 9.135 -16.992 -12.283 1.00 14.14 H new ATOM 0 HA PHE A 118 9.992 -15.080 -10.409 1.00 2.10 H new ATOM 0 HB2 PHE A 118 7.618 -15.831 -11.545 1.00 24.24 H new ATOM 0 HB3 PHE A 118 7.426 -16.522 -9.945 1.00 24.24 H new ATOM 0 HD1 PHE A 118 8.353 -14.767 -8.020 1.00 41.02 H new ATOM 0 HD2 PHE A 118 6.695 -13.734 -11.806 1.00 55.11 H new ATOM 0 HE1 PHE A 118 7.724 -12.562 -7.140 1.00 73.25 H new ATOM 0 HE2 PHE A 118 6.066 -11.526 -10.930 1.00 41.31 H new ATOM 0 HZ PHE A 118 6.580 -10.935 -8.594 1.00 31.03 H new