USER MOD reduce.3.24.130724 H: found=0, std=0, add=1240, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1242 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 138 THR OG1 : rot 72:sc= 2.08 USER MOD Set 1.2: A 140 THR OG1 : rot 63:sc= 0.328 USER MOD Set 2.1: A 79 SER OG : rot 167:sc= -0.168 USER MOD Set 2.2: A 105 SER OG : rot -154:sc= 1.23 USER MOD Set 3.1: A 62 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 100 SER OG : rot -169:sc= 1.4 USER MOD Set 4.1: A 31 SER OG : rot -60:sc= 1.29 USER MOD Set 4.2: A 34 GLN : amide:sc= 1.64 K(o=2.9,f=-1.7) USER MOD Set 5.1: A 7 TYR OH : rot -152:sc= 0.666 USER MOD Set 5.2: A 157 LYS NZ :NH3+ 167:sc= -1.43 (180deg=-2.39) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.137 K(o=-0.14,f=-1.2) USER MOD Single : A 15 LYS NZ :NH3+ -150:sc= 0.557 (180deg=0.0847) USER MOD Single : A 25 GLN : amide:sc= 0.265 X(o=0.27,f=-0.14) USER MOD Single : A 32 GLN : amide:sc=-0.00162 X(o=-0.0016,f=-0.0016) USER MOD Single : A 36 LYS NZ :NH3+ 177:sc= 1.26 (180deg=1.2) USER MOD Single : A 45 THR OG1 : rot 76:sc= 1.26 USER MOD Single : A 47 CYS SG : rot 158:sc= -0.45 USER MOD Single : A 51 CYS SG : rot -160:sc= -0.581 USER MOD Single : A 53 THR OG1 : rot 84:sc= 1.22 USER MOD Single : A 54 THR OG1 : rot 23:sc= 1.22 USER MOD Single : A 59 LYS NZ :NH3+ 170:sc= 0.603 (180deg=0.359) USER MOD Single : A 64 LYS NZ :NH3+ 166:sc= 1.27 (180deg=1.02) USER MOD Single : A 68 LYS NZ :NH3+ -167:sc= 0.993 (180deg=0.406) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -161:sc= 0.687! (180deg=0.496!) USER MOD Single : A 98 HIS : no HE2:sc= -1.3 K(o=-1.3,f=-3.3) USER MOD Single : A 107 SER OG : rot 101:sc= 1.29 USER MOD Single : A 116 GLN : amide:sc= 0.842 K(o=0.84,f=-1.1) USER MOD Single : A 117 THR OG1 : rot 91:sc= 1.03 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 1.16 K(o=1.2,f=-0.0096) USER MOD Single : A 124 LYS NZ :NH3+ 158:sc= 1.11 (180deg=0.331!) USER MOD Single : A 137 HIS : no HE2:sc= 0.455 K(o=0.46,f=-2.6!) USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 145 LYS NZ :NH3+ -170:sc= 1.36 (180deg=0.923) USER MOD Single : A 153 TYR OH : rot 38:sc= 1.16 USER MOD Single : A 154 SER OG : rot 180:sc= 0 USER MOD Single : A 161 THR OG1 : rot -86:sc= 0.0473 USER MOD Single : A 169 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 89 N TYR A 7 15.364 5.082 4.005 1.00 1.53 N ATOM 90 CA TYR A 7 15.529 3.622 3.948 1.00 1.42 C ATOM 91 C TYR A 7 14.737 2.924 2.825 1.00 1.48 C ATOM 92 O TYR A 7 14.924 1.722 2.634 1.00 1.55 O ATOM 93 CB TYR A 7 15.227 3.000 5.329 1.00 1.71 C ATOM 94 CG TYR A 7 15.652 1.544 5.533 1.00 1.37 C ATOM 95 CD1 TYR A 7 16.923 1.088 5.115 1.00 2.36 C ATOM 96 CD2 TYR A 7 14.774 0.634 6.155 1.00 2.11 C ATOM 97 CE1 TYR A 7 17.281 -0.271 5.257 1.00 2.88 C ATOM 98 CE2 TYR A 7 15.146 -0.715 6.340 1.00 2.34 C ATOM 99 CZ TYR A 7 16.382 -1.182 5.852 1.00 2.35 C ATOM 100 OH TYR A 7 16.682 -2.511 5.908 1.00 3.16 O ATOM 0 HA TYR A 7 16.573 3.447 3.688 1.00 1.42 H new ATOM 0 HB2 TYR A 7 15.716 3.607 6.090 1.00 1.71 H new ATOM 0 HB3 TYR A 7 14.154 3.070 5.507 1.00 1.71 H new ATOM 0 HD1 TYR A 7 17.626 1.785 4.683 1.00 2.36 H new ATOM 0 HD2 TYR A 7 13.806 0.972 6.494 1.00 2.11 H new ATOM 0 HE1 TYR A 7 18.244 -0.614 4.910 1.00 2.88 H new ATOM 0 HE2 TYR A 7 14.481 -1.391 6.857 1.00 2.34 H new ATOM 0 HH TYR A 7 15.853 -3.033 5.925 1.00 3.16 H new ATOM 110 N GLY A 8 13.909 3.630 2.044 1.00 1.18 N ATOM 111 CA GLY A 8 13.402 3.109 0.769 1.00 1.05 C ATOM 112 C GLY A 8 14.269 3.535 -0.416 1.00 1.14 C ATOM 113 O GLY A 8 15.305 4.185 -0.259 1.00 1.38 O ATOM 0 H GLY A 8 13.576 4.566 2.274 1.00 1.18 H new ATOM 0 HA2 GLY A 8 13.361 2.021 0.814 1.00 1.05 H new ATOM 0 HA3 GLY A 8 12.382 3.460 0.615 1.00 1.05 H new ATOM 117 N THR A 9 13.837 3.185 -1.628 1.00 1.01 N ATOM 118 CA THR A 9 14.472 3.638 -2.872 1.00 1.11 C ATOM 119 C THR A 9 13.959 5.037 -3.185 1.00 1.28 C ATOM 120 O THR A 9 12.953 5.220 -3.874 1.00 1.26 O ATOM 121 CB THR A 9 14.221 2.677 -4.025 1.00 1.32 C ATOM 122 OG1 THR A 9 14.490 1.362 -3.599 1.00 1.46 O ATOM 123 CG2 THR A 9 15.123 2.974 -5.223 1.00 1.54 C ATOM 0 H THR A 9 13.033 2.576 -1.778 1.00 1.01 H new ATOM 0 HA THR A 9 15.553 3.663 -2.738 1.00 1.11 H new ATOM 0 HB THR A 9 13.181 2.796 -4.329 1.00 1.32 H new ATOM 0 HG1 THR A 9 14.328 0.739 -4.338 1.00 1.46 H new ATOM 0 HG21 THR A 9 14.911 2.265 -6.023 1.00 1.54 H new ATOM 0 HG22 THR A 9 14.935 3.988 -5.577 1.00 1.54 H new ATOM 0 HG23 THR A 9 16.167 2.882 -4.924 1.00 1.54 H new ATOM 131 N ARG A 10 14.653 6.023 -2.628 1.00 1.01 N ATOM 132 CA ARG A 10 14.395 7.446 -2.832 1.00 1.04 C ATOM 133 C ARG A 10 14.623 7.839 -4.288 1.00 1.41 C ATOM 134 O ARG A 10 15.736 7.784 -4.807 1.00 1.68 O ATOM 135 CB ARG A 10 15.227 8.271 -1.853 1.00 1.05 C ATOM 136 CG ARG A 10 14.960 9.774 -2.017 1.00 1.42 C ATOM 137 CD ARG A 10 16.063 10.479 -2.827 1.00 2.33 C ATOM 138 NE ARG A 10 15.507 11.443 -3.791 1.00 2.90 N ATOM 139 CZ ARG A 10 16.043 12.585 -4.202 1.00 3.63 C ATOM 140 NH1 ARG A 10 17.145 13.084 -3.679 1.00 4.47 N ATOM 141 NH2 ARG A 10 15.468 13.246 -5.182 1.00 4.47 N ATOM 0 H ARG A 10 15.438 5.849 -2.000 1.00 1.01 H new ATOM 0 HA ARG A 10 13.347 7.658 -2.623 1.00 1.04 H new ATOM 0 HB2 ARG A 10 14.995 7.968 -0.832 1.00 1.05 H new ATOM 0 HB3 ARG A 10 16.286 8.069 -2.013 1.00 1.05 H new ATOM 0 HG2 ARG A 10 14.000 9.918 -2.513 1.00 1.42 H new ATOM 0 HG3 ARG A 10 14.883 10.236 -1.033 1.00 1.42 H new ATOM 0 HD2 ARG A 10 16.739 10.996 -2.146 1.00 2.33 H new ATOM 0 HD3 ARG A 10 16.655 9.734 -3.359 1.00 2.33 H new ATOM 0 HE ARG A 10 14.600 11.204 -4.191 1.00 2.90 H new ATOM 0 HH11 ARG A 10 17.622 12.588 -2.926 1.00 4.47 H new ATOM 0 HH12 ARG A 10 17.521 13.966 -4.027 1.00 4.47 H new ATOM 0 HH21 ARG A 10 14.621 12.880 -5.616 1.00 4.47 H new ATOM 0 HH22 ARG A 10 15.869 14.125 -5.508 1.00 4.47 H new ATOM 155 N LEU A 11 13.547 8.280 -4.933 1.00 1.03 N ATOM 156 CA LEU A 11 13.509 8.549 -6.379 1.00 1.06 C ATOM 157 C LEU A 11 13.989 9.967 -6.726 1.00 1.56 C ATOM 158 O LEU A 11 13.796 10.919 -5.968 1.00 2.09 O ATOM 159 CB LEU A 11 12.105 8.263 -6.955 1.00 0.89 C ATOM 160 CG LEU A 11 11.569 6.833 -6.698 1.00 0.90 C ATOM 161 CD1 LEU A 11 10.188 6.675 -7.347 1.00 0.89 C ATOM 162 CD2 LEU A 11 12.507 5.739 -7.231 1.00 1.05 C ATOM 0 H LEU A 11 12.660 8.465 -4.465 1.00 1.03 H new ATOM 0 HA LEU A 11 14.213 7.865 -6.853 1.00 1.06 H new ATOM 0 HB2 LEU A 11 11.402 8.980 -6.530 1.00 0.89 H new ATOM 0 HB3 LEU A 11 12.128 8.438 -8.031 1.00 0.89 H new ATOM 0 HG LEU A 11 11.504 6.708 -5.617 1.00 0.90 H new ATOM 0 HD11 LEU A 11 9.813 5.668 -7.165 1.00 0.89 H new ATOM 0 HD12 LEU A 11 9.499 7.402 -6.917 1.00 0.89 H new ATOM 0 HD13 LEU A 11 10.269 6.843 -8.421 1.00 0.89 H new ATOM 0 HD21 LEU A 11 12.079 4.759 -7.022 1.00 1.05 H new ATOM 0 HD22 LEU A 11 12.631 5.859 -8.307 1.00 1.05 H new ATOM 0 HD23 LEU A 11 13.478 5.822 -6.743 1.00 1.05 H new ATOM 174 N LEU A 12 14.639 10.108 -7.885 1.00 1.26 N ATOM 175 CA LEU A 12 15.157 11.392 -8.380 1.00 1.41 C ATOM 176 C LEU A 12 14.096 12.142 -9.191 1.00 1.77 C ATOM 177 O LEU A 12 13.770 13.276 -8.856 1.00 2.21 O ATOM 178 CB LEU A 12 16.462 11.169 -9.165 1.00 1.64 C ATOM 179 CG LEU A 12 17.717 11.202 -8.264 1.00 1.82 C ATOM 180 CD1 LEU A 12 17.754 10.082 -7.211 1.00 2.71 C ATOM 181 CD2 LEU A 12 18.966 11.122 -9.145 1.00 2.99 C ATOM 0 H LEU A 12 14.824 9.327 -8.515 1.00 1.26 H new ATOM 0 HA LEU A 12 15.395 12.031 -7.530 1.00 1.41 H new ATOM 0 HB2 LEU A 12 16.413 10.208 -9.677 1.00 1.64 H new ATOM 0 HB3 LEU A 12 16.553 11.935 -9.935 1.00 1.64 H new ATOM 0 HG LEU A 12 17.684 12.140 -7.710 1.00 1.82 H new ATOM 0 HD11 LEU A 12 18.664 10.171 -6.617 1.00 2.71 H new ATOM 0 HD12 LEU A 12 16.885 10.167 -6.558 1.00 2.71 H new ATOM 0 HD13 LEU A 12 17.739 9.113 -7.710 1.00 2.71 H new ATOM 0 HD21 LEU A 12 19.856 11.145 -8.517 1.00 2.99 H new ATOM 0 HD22 LEU A 12 18.949 10.194 -9.717 1.00 2.99 H new ATOM 0 HD23 LEU A 12 18.983 11.970 -9.830 1.00 2.99 H new ATOM 193 N ASN A 13 13.525 11.492 -10.209 1.00 1.43 N ATOM 194 CA ASN A 13 12.393 11.994 -10.991 1.00 1.55 C ATOM 195 C ASN A 13 11.088 11.282 -10.560 1.00 1.41 C ATOM 196 O ASN A 13 10.925 10.103 -10.893 1.00 1.49 O ATOM 197 CB ASN A 13 12.695 11.751 -12.481 1.00 1.84 C ATOM 198 CG ASN A 13 11.555 12.180 -13.400 1.00 2.79 C ATOM 199 OD1 ASN A 13 10.619 12.860 -13.007 1.00 3.77 O ATOM 200 ND2 ASN A 13 11.601 11.789 -14.658 1.00 3.29 N ATOM 0 H ASN A 13 13.847 10.576 -10.520 1.00 1.43 H new ATOM 0 HA ASN A 13 12.253 13.061 -10.818 1.00 1.55 H new ATOM 0 HB2 ASN A 13 13.599 12.294 -12.756 1.00 1.84 H new ATOM 0 HB3 ASN A 13 12.900 10.692 -12.636 1.00 1.84 H new ATOM 0 HD21 ASN A 13 10.856 12.054 -15.302 1.00 3.29 H new ATOM 0 HD22 ASN A 13 12.382 11.221 -14.987 1.00 3.29 H new ATOM 207 N PRO A 14 10.177 11.950 -9.821 1.00 1.26 N ATOM 208 CA PRO A 14 8.949 11.332 -9.340 1.00 1.15 C ATOM 209 C PRO A 14 7.863 11.338 -10.426 1.00 1.33 C ATOM 210 O PRO A 14 7.247 12.357 -10.750 1.00 1.62 O ATOM 211 CB PRO A 14 8.578 12.116 -8.087 1.00 1.25 C ATOM 212 CG PRO A 14 9.092 13.526 -8.385 1.00 1.38 C ATOM 213 CD PRO A 14 10.346 13.266 -9.220 1.00 1.39 C ATOM 0 HA PRO A 14 9.069 10.276 -9.099 1.00 1.15 H new ATOM 0 HB2 PRO A 14 7.502 12.109 -7.913 1.00 1.25 H new ATOM 0 HB3 PRO A 14 9.048 11.697 -7.197 1.00 1.25 H new ATOM 0 HG2 PRO A 14 8.357 14.116 -8.933 1.00 1.38 H new ATOM 0 HG3 PRO A 14 9.322 14.073 -7.471 1.00 1.38 H new ATOM 0 HD2 PRO A 14 10.466 14.030 -9.988 1.00 1.39 H new ATOM 0 HD3 PRO A 14 11.240 13.296 -8.597 1.00 1.39 H new ATOM 221 N LYS A 15 7.642 10.156 -10.993 1.00 0.95 N ATOM 222 CA LYS A 15 6.756 9.925 -12.141 1.00 1.01 C ATOM 223 C LYS A 15 5.266 10.031 -11.752 1.00 1.17 C ATOM 224 O LYS A 15 4.858 9.343 -10.813 1.00 1.27 O ATOM 225 CB LYS A 15 7.057 8.524 -12.691 1.00 1.13 C ATOM 226 CG LYS A 15 6.268 8.126 -13.956 1.00 1.66 C ATOM 227 CD LYS A 15 6.094 6.605 -14.084 1.00 1.87 C ATOM 228 CE LYS A 15 4.957 6.106 -13.173 1.00 2.17 C ATOM 229 NZ LYS A 15 4.818 4.628 -13.195 1.00 2.65 N ATOM 0 H LYS A 15 8.087 9.301 -10.659 1.00 0.95 H new ATOM 0 HA LYS A 15 6.941 10.691 -12.894 1.00 1.01 H new ATOM 0 HB2 LYS A 15 8.122 8.460 -12.913 1.00 1.13 H new ATOM 0 HB3 LYS A 15 6.850 7.793 -11.909 1.00 1.13 H new ATOM 0 HG2 LYS A 15 5.287 8.600 -13.933 1.00 1.66 H new ATOM 0 HG3 LYS A 15 6.785 8.505 -14.838 1.00 1.66 H new ATOM 0 HD2 LYS A 15 5.877 6.345 -15.120 1.00 1.87 H new ATOM 0 HD3 LYS A 15 7.025 6.104 -13.819 1.00 1.87 H new ATOM 0 HE2 LYS A 15 5.144 6.435 -12.151 1.00 2.17 H new ATOM 0 HE3 LYS A 15 4.018 6.561 -13.487 1.00 2.17 H new ATOM 0 HZ1 LYS A 15 3.825 4.370 -13.025 1.00 2.65 H new ATOM 0 HZ2 LYS A 15 5.116 4.265 -14.123 1.00 2.65 H new ATOM 0 HZ3 LYS A 15 5.415 4.212 -12.452 1.00 2.65 H new ATOM 243 N PRO A 16 4.434 10.793 -12.489 1.00 0.97 N ATOM 244 CA PRO A 16 3.009 10.932 -12.203 1.00 1.00 C ATOM 245 C PRO A 16 2.288 9.587 -12.397 1.00 1.14 C ATOM 246 O PRO A 16 2.718 8.765 -13.208 1.00 1.03 O ATOM 247 CB PRO A 16 2.502 12.030 -13.138 1.00 1.21 C ATOM 248 CG PRO A 16 3.464 11.976 -14.324 1.00 1.19 C ATOM 249 CD PRO A 16 4.781 11.476 -13.723 1.00 1.07 C ATOM 0 HA PRO A 16 2.814 11.211 -11.167 1.00 1.00 H new ATOM 0 HB2 PRO A 16 1.474 11.846 -13.449 1.00 1.21 H new ATOM 0 HB3 PRO A 16 2.519 13.006 -12.654 1.00 1.21 H new ATOM 0 HG2 PRO A 16 3.100 11.303 -15.100 1.00 1.19 H new ATOM 0 HG3 PRO A 16 3.584 12.957 -14.783 1.00 1.19 H new ATOM 0 HD2 PRO A 16 5.290 10.801 -14.411 1.00 1.07 H new ATOM 0 HD3 PRO A 16 5.460 12.306 -13.530 1.00 1.07 H new ATOM 257 N VAL A 17 1.209 9.366 -11.640 1.00 0.86 N ATOM 258 CA VAL A 17 0.377 8.148 -11.632 1.00 0.89 C ATOM 259 C VAL A 17 -1.002 8.485 -11.063 1.00 1.22 C ATOM 260 O VAL A 17 -1.103 9.333 -10.179 1.00 1.22 O ATOM 261 CB VAL A 17 0.959 6.987 -10.774 1.00 0.97 C ATOM 262 CG1 VAL A 17 2.194 6.326 -11.401 1.00 1.08 C ATOM 263 CG2 VAL A 17 1.316 7.381 -9.326 1.00 1.03 C ATOM 0 H VAL A 17 0.870 10.066 -10.980 1.00 0.86 H new ATOM 0 HA VAL A 17 0.336 7.809 -12.667 1.00 0.89 H new ATOM 0 HB VAL A 17 0.133 6.276 -10.748 1.00 0.97 H new ATOM 0 HG11 VAL A 17 2.548 5.526 -10.751 1.00 1.08 H new ATOM 0 HG12 VAL A 17 1.931 5.913 -12.375 1.00 1.08 H new ATOM 0 HG13 VAL A 17 2.982 7.069 -11.523 1.00 1.08 H new ATOM 0 HG21 VAL A 17 1.714 6.513 -8.800 1.00 1.03 H new ATOM 0 HG22 VAL A 17 2.065 8.173 -9.339 1.00 1.03 H new ATOM 0 HG23 VAL A 17 0.421 7.736 -8.814 1.00 1.03 H new ATOM 273 N ASP A 18 -2.042 7.765 -11.484 1.00 0.81 N ATOM 274 CA ASP A 18 -3.358 7.794 -10.842 1.00 0.74 C ATOM 275 C ASP A 18 -4.079 6.455 -11.025 1.00 0.98 C ATOM 276 O ASP A 18 -4.323 6.016 -12.142 1.00 1.90 O ATOM 277 CB ASP A 18 -4.205 8.990 -11.320 1.00 0.87 C ATOM 278 CG ASP A 18 -4.552 8.980 -12.816 1.00 2.27 C ATOM 279 OD1 ASP A 18 -3.682 9.347 -13.629 1.00 3.94 O ATOM 280 OD2 ASP A 18 -5.736 8.698 -13.121 1.00 2.73 O ATOM 0 H ASP A 18 -1.995 7.139 -12.288 1.00 0.81 H new ATOM 0 HA ASP A 18 -3.208 7.940 -9.772 1.00 0.74 H new ATOM 0 HB2 ASP A 18 -5.132 9.012 -10.747 1.00 0.87 H new ATOM 0 HB3 ASP A 18 -3.668 9.911 -11.093 1.00 0.87 H new ATOM 285 N PHE A 19 -4.407 5.774 -9.919 1.00 0.76 N ATOM 286 CA PHE A 19 -5.060 4.465 -10.014 1.00 0.91 C ATOM 287 C PHE A 19 -6.572 4.621 -10.169 1.00 3.51 C ATOM 288 O PHE A 19 -7.157 5.593 -9.682 1.00 5.35 O ATOM 289 CB PHE A 19 -4.690 3.538 -8.840 1.00 1.19 C ATOM 290 CG PHE A 19 -5.202 3.914 -7.457 1.00 1.35 C ATOM 291 CD1 PHE A 19 -6.561 3.735 -7.132 1.00 2.07 C ATOM 292 CD2 PHE A 19 -4.309 4.358 -6.465 1.00 4.19 C ATOM 293 CE1 PHE A 19 -7.028 4.022 -5.840 1.00 2.22 C ATOM 294 CE2 PHE A 19 -4.778 4.647 -5.171 1.00 5.51 C ATOM 295 CZ PHE A 19 -6.137 4.478 -4.856 1.00 2.57 C ATOM 0 H PHE A 19 -4.235 6.100 -8.968 1.00 0.76 H new ATOM 0 HA PHE A 19 -4.683 3.977 -10.913 1.00 0.91 H new ATOM 0 HB2 PHE A 19 -5.056 2.538 -9.073 1.00 1.19 H new ATOM 0 HB3 PHE A 19 -3.603 3.476 -8.790 1.00 1.19 H new ATOM 0 HD1 PHE A 19 -7.249 3.374 -7.883 1.00 2.07 H new ATOM 0 HD2 PHE A 19 -3.261 4.477 -6.698 1.00 4.19 H new ATOM 0 HE1 PHE A 19 -8.074 3.892 -5.603 1.00 2.22 H new ATOM 0 HE2 PHE A 19 -4.091 5.000 -4.416 1.00 5.51 H new ATOM 0 HZ PHE A 19 -6.494 4.698 -3.861 1.00 2.57 H new ATOM 305 N ALA A 20 -7.209 3.599 -10.739 1.00 0.78 N ATOM 306 CA ALA A 20 -8.646 3.357 -10.644 1.00 0.78 C ATOM 307 C ALA A 20 -8.881 1.932 -10.108 1.00 0.90 C ATOM 308 O ALA A 20 -8.418 0.971 -10.712 1.00 1.06 O ATOM 309 CB ALA A 20 -9.273 3.565 -12.030 1.00 1.05 C ATOM 0 H ALA A 20 -6.724 2.896 -11.296 1.00 0.78 H new ATOM 0 HA ALA A 20 -9.119 4.054 -9.952 1.00 0.78 H new ATOM 0 HB1 ALA A 20 -10.347 3.387 -11.974 1.00 1.05 H new ATOM 0 HB2 ALA A 20 -9.091 4.587 -12.362 1.00 1.05 H new ATOM 0 HB3 ALA A 20 -8.827 2.868 -12.740 1.00 1.05 H new ATOM 315 N LEU A 21 -9.550 1.830 -8.958 1.00 0.72 N ATOM 316 CA LEU A 21 -9.874 0.622 -8.193 1.00 0.66 C ATOM 317 C LEU A 21 -11.292 0.745 -7.596 1.00 0.92 C ATOM 318 O LEU A 21 -11.973 1.744 -7.824 1.00 1.22 O ATOM 319 CB LEU A 21 -8.817 0.446 -7.080 1.00 0.65 C ATOM 320 CG LEU A 21 -8.072 -0.898 -7.056 1.00 0.80 C ATOM 321 CD1 LEU A 21 -8.991 -2.122 -6.923 1.00 1.11 C ATOM 322 CD2 LEU A 21 -7.163 -1.076 -8.274 1.00 1.24 C ATOM 0 H LEU A 21 -9.911 2.665 -8.496 1.00 0.72 H new ATOM 0 HA LEU A 21 -9.859 -0.254 -8.842 1.00 0.66 H new ATOM 0 HB2 LEU A 21 -8.081 1.244 -7.178 1.00 0.65 H new ATOM 0 HB3 LEU A 21 -9.308 0.582 -6.117 1.00 0.65 H new ATOM 0 HG LEU A 21 -7.463 -0.850 -6.153 1.00 0.80 H new ATOM 0 HD11 LEU A 21 -8.388 -3.030 -6.914 1.00 1.11 H new ATOM 0 HD12 LEU A 21 -9.557 -2.053 -5.994 1.00 1.11 H new ATOM 0 HD13 LEU A 21 -9.680 -2.153 -7.767 1.00 1.11 H new ATOM 0 HD21 LEU A 21 -6.658 -2.040 -8.213 1.00 1.24 H new ATOM 0 HD22 LEU A 21 -7.762 -1.037 -9.184 1.00 1.24 H new ATOM 0 HD23 LEU A 21 -6.421 -0.278 -8.294 1.00 1.24 H new ATOM 334 N GLU A 22 -11.722 -0.235 -6.803 1.00 0.62 N ATOM 335 CA GLU A 22 -12.983 -0.218 -6.068 1.00 0.61 C ATOM 336 C GLU A 22 -12.755 -0.586 -4.593 1.00 0.99 C ATOM 337 O GLU A 22 -11.852 -1.359 -4.268 1.00 1.17 O ATOM 338 CB GLU A 22 -13.971 -1.128 -6.813 1.00 0.64 C ATOM 339 CG GLU A 22 -15.348 -1.247 -6.155 1.00 1.54 C ATOM 340 CD GLU A 22 -16.455 -1.116 -7.192 1.00 2.41 C ATOM 341 OE1 GLU A 22 -16.561 -2.025 -8.042 1.00 2.64 O ATOM 342 OE2 GLU A 22 -17.152 -0.079 -7.154 1.00 3.80 O ATOM 0 H GLU A 22 -11.185 -1.089 -6.650 1.00 0.62 H new ATOM 0 HA GLU A 22 -13.420 0.780 -6.034 1.00 0.61 H new ATOM 0 HB2 GLU A 22 -14.099 -0.750 -7.827 1.00 0.64 H new ATOM 0 HB3 GLU A 22 -13.535 -2.124 -6.897 1.00 0.64 H new ATOM 0 HG2 GLU A 22 -15.431 -2.208 -5.647 1.00 1.54 H new ATOM 0 HG3 GLU A 22 -15.461 -0.473 -5.396 1.00 1.54 H new ATOM 349 N GLY A 23 -13.535 0.039 -3.702 1.00 0.73 N ATOM 350 CA GLY A 23 -13.541 -0.145 -2.246 1.00 0.75 C ATOM 351 C GLY A 23 -14.927 -0.557 -1.721 1.00 0.82 C ATOM 352 O GLY A 23 -15.848 -0.743 -2.516 1.00 0.94 O ATOM 0 H GLY A 23 -14.223 0.731 -3.999 1.00 0.73 H new ATOM 0 HA2 GLY A 23 -12.810 -0.906 -1.974 1.00 0.75 H new ATOM 0 HA3 GLY A 23 -13.231 0.782 -1.763 1.00 0.75 H new ATOM 356 N PRO A 24 -15.114 -0.709 -0.396 1.00 0.81 N ATOM 357 CA PRO A 24 -16.337 -1.228 0.237 1.00 0.92 C ATOM 358 C PRO A 24 -17.521 -0.233 0.231 1.00 1.05 C ATOM 359 O PRO A 24 -18.299 -0.167 1.182 1.00 1.27 O ATOM 360 CB PRO A 24 -15.883 -1.606 1.653 1.00 1.12 C ATOM 361 CG PRO A 24 -14.853 -0.526 1.952 1.00 1.08 C ATOM 362 CD PRO A 24 -14.109 -0.434 0.624 1.00 0.93 C ATOM 0 HA PRO A 24 -16.745 -2.075 -0.315 1.00 0.92 H new ATOM 0 HB2 PRO A 24 -16.709 -1.591 2.364 1.00 1.12 H new ATOM 0 HB3 PRO A 24 -15.449 -2.605 1.690 1.00 1.12 H new ATOM 0 HG2 PRO A 24 -15.320 0.420 2.226 1.00 1.08 H new ATOM 0 HG3 PRO A 24 -14.193 -0.806 2.773 1.00 1.08 H new ATOM 0 HD2 PRO A 24 -13.668 0.554 0.487 1.00 0.93 H new ATOM 0 HD3 PRO A 24 -13.294 -1.156 0.578 1.00 0.93 H new ATOM 370 N GLN A 25 -17.656 0.577 -0.825 1.00 0.93 N ATOM 371 CA GLN A 25 -18.668 1.630 -0.963 1.00 1.12 C ATOM 372 C GLN A 25 -18.782 2.173 -2.403 1.00 1.41 C ATOM 373 O GLN A 25 -19.392 3.220 -2.598 1.00 1.69 O ATOM 374 CB GLN A 25 -18.369 2.755 0.061 1.00 1.24 C ATOM 375 CG GLN A 25 -19.596 3.569 0.512 1.00 2.28 C ATOM 376 CD GLN A 25 -20.730 2.758 1.150 1.00 3.67 C ATOM 377 OE1 GLN A 25 -21.885 3.132 1.080 1.00 5.10 O ATOM 378 NE2 GLN A 25 -20.497 1.636 1.799 1.00 4.23 N ATOM 0 H GLN A 25 -17.041 0.515 -1.636 1.00 0.93 H new ATOM 0 HA GLN A 25 -19.644 1.196 -0.747 1.00 1.12 H new ATOM 0 HB2 GLN A 25 -17.904 2.310 0.941 1.00 1.24 H new ATOM 0 HB3 GLN A 25 -17.639 3.438 -0.375 1.00 1.24 H new ATOM 0 HG2 GLN A 25 -19.267 4.324 1.226 1.00 2.28 H new ATOM 0 HG3 GLN A 25 -19.995 4.100 -0.352 1.00 2.28 H new ATOM 0 HE21 GLN A 25 -19.543 1.284 1.883 1.00 4.23 H new ATOM 0 HE22 GLN A 25 -21.270 1.119 2.218 1.00 4.23 H new ATOM 387 N GLY A 26 -18.199 1.502 -3.409 1.00 1.22 N ATOM 388 CA GLY A 26 -18.105 2.014 -4.780 1.00 1.34 C ATOM 389 C GLY A 26 -16.659 2.267 -5.238 1.00 1.20 C ATOM 390 O GLY A 26 -15.711 1.959 -4.501 1.00 1.27 O ATOM 0 H GLY A 26 -17.777 0.581 -3.290 1.00 1.22 H new ATOM 0 HA2 GLY A 26 -18.574 1.302 -5.459 1.00 1.34 H new ATOM 0 HA3 GLY A 26 -18.670 2.944 -4.853 1.00 1.34 H new ATOM 394 N PRO A 27 -16.477 2.803 -6.461 1.00 1.05 N ATOM 395 CA PRO A 27 -15.177 2.995 -7.093 1.00 1.10 C ATOM 396 C PRO A 27 -14.333 4.060 -6.378 1.00 1.19 C ATOM 397 O PRO A 27 -14.858 5.012 -5.803 1.00 1.11 O ATOM 398 CB PRO A 27 -15.472 3.358 -8.551 1.00 1.08 C ATOM 399 CG PRO A 27 -16.865 3.984 -8.488 1.00 1.01 C ATOM 400 CD PRO A 27 -17.541 3.197 -7.369 1.00 1.05 C ATOM 0 HA PRO A 27 -14.572 2.090 -7.033 1.00 1.10 H new ATOM 0 HB2 PRO A 27 -14.735 4.057 -8.948 1.00 1.08 H new ATOM 0 HB3 PRO A 27 -15.456 2.479 -9.195 1.00 1.08 H new ATOM 0 HG2 PRO A 27 -16.819 5.049 -8.262 1.00 1.01 H new ATOM 0 HG3 PRO A 27 -17.398 3.881 -9.433 1.00 1.01 H new ATOM 0 HD2 PRO A 27 -18.286 3.807 -6.857 1.00 1.05 H new ATOM 0 HD3 PRO A 27 -18.061 2.324 -7.764 1.00 1.05 H new ATOM 408 N VAL A 28 -13.008 3.900 -6.443 1.00 0.88 N ATOM 409 CA VAL A 28 -12.012 4.728 -5.746 1.00 0.90 C ATOM 410 C VAL A 28 -10.832 4.997 -6.685 1.00 1.04 C ATOM 411 O VAL A 28 -10.315 4.086 -7.329 1.00 0.97 O ATOM 412 CB VAL A 28 -11.506 4.045 -4.446 1.00 1.13 C ATOM 413 CG1 VAL A 28 -10.529 4.966 -3.690 1.00 1.22 C ATOM 414 CG2 VAL A 28 -12.642 3.668 -3.481 1.00 1.90 C ATOM 0 H VAL A 28 -12.580 3.163 -7.003 1.00 0.88 H new ATOM 0 HA VAL A 28 -12.488 5.667 -5.462 1.00 0.90 H new ATOM 0 HB VAL A 28 -11.009 3.131 -4.771 1.00 1.13 H new ATOM 0 HG11 VAL A 28 -10.187 4.468 -2.783 1.00 1.22 H new ATOM 0 HG12 VAL A 28 -9.673 5.189 -4.326 1.00 1.22 H new ATOM 0 HG13 VAL A 28 -11.035 5.894 -3.425 1.00 1.22 H new ATOM 0 HG21 VAL A 28 -12.223 3.195 -2.593 1.00 1.90 H new ATOM 0 HG22 VAL A 28 -13.186 4.567 -3.191 1.00 1.90 H new ATOM 0 HG23 VAL A 28 -13.323 2.975 -3.974 1.00 1.90 H new ATOM 424 N ARG A 29 -10.387 6.256 -6.749 1.00 0.76 N ATOM 425 CA ARG A 29 -9.227 6.687 -7.543 1.00 0.69 C ATOM 426 C ARG A 29 -8.158 7.337 -6.665 1.00 1.11 C ATOM 427 O ARG A 29 -8.489 7.904 -5.624 1.00 1.37 O ATOM 428 CB ARG A 29 -9.664 7.695 -8.622 1.00 0.80 C ATOM 429 CG ARG A 29 -10.303 7.030 -9.855 1.00 0.97 C ATOM 430 CD ARG A 29 -10.785 8.048 -10.904 1.00 1.33 C ATOM 431 NE ARG A 29 -9.781 9.088 -11.204 1.00 2.06 N ATOM 432 CZ ARG A 29 -8.639 8.950 -11.869 1.00 3.22 C ATOM 433 NH1 ARG A 29 -8.283 7.849 -12.498 1.00 3.86 N ATOM 434 NH2 ARG A 29 -7.792 9.948 -11.898 1.00 4.59 N ATOM 0 H ARG A 29 -10.831 7.021 -6.241 1.00 0.76 H new ATOM 0 HA ARG A 29 -8.805 5.798 -8.011 1.00 0.69 H new ATOM 0 HB2 ARG A 29 -10.376 8.397 -8.187 1.00 0.80 H new ATOM 0 HB3 ARG A 29 -8.798 8.275 -8.939 1.00 0.80 H new ATOM 0 HG2 ARG A 29 -9.579 6.358 -10.315 1.00 0.97 H new ATOM 0 HG3 ARG A 29 -11.147 6.419 -9.535 1.00 0.97 H new ATOM 0 HD2 ARG A 29 -11.039 7.521 -11.823 1.00 1.33 H new ATOM 0 HD3 ARG A 29 -11.698 8.525 -10.547 1.00 1.33 H new ATOM 0 HE ARG A 29 -9.989 10.025 -10.859 1.00 2.06 H new ATOM 0 HH11 ARG A 29 -8.900 7.036 -12.493 1.00 3.86 H new ATOM 0 HH12 ARG A 29 -7.391 7.809 -12.991 1.00 3.86 H new ATOM 0 HH21 ARG A 29 -8.012 10.818 -11.414 1.00 4.59 H new ATOM 0 HH22 ARG A 29 -6.912 9.855 -12.405 1.00 4.59 H new ATOM 448 N LEU A 30 -6.898 7.380 -7.124 1.00 0.63 N ATOM 449 CA LEU A 30 -5.857 8.152 -6.423 1.00 0.73 C ATOM 450 C LEU A 30 -6.186 9.649 -6.338 1.00 1.22 C ATOM 451 O LEU A 30 -5.806 10.299 -5.377 1.00 1.31 O ATOM 452 CB LEU A 30 -4.471 7.941 -7.054 1.00 0.91 C ATOM 453 CG LEU A 30 -3.330 8.662 -6.291 1.00 1.48 C ATOM 454 CD1 LEU A 30 -3.241 8.268 -4.806 1.00 2.16 C ATOM 455 CD2 LEU A 30 -1.993 8.361 -6.970 1.00 1.94 C ATOM 0 H LEU A 30 -6.577 6.898 -7.964 1.00 0.63 H new ATOM 0 HA LEU A 30 -5.833 7.767 -5.404 1.00 0.73 H new ATOM 0 HB2 LEU A 30 -4.255 6.873 -7.090 1.00 0.91 H new ATOM 0 HB3 LEU A 30 -4.491 8.297 -8.084 1.00 0.91 H new ATOM 0 HG LEU A 30 -3.558 9.727 -6.325 1.00 1.48 H new ATOM 0 HD11 LEU A 30 -2.421 8.810 -4.334 1.00 2.16 H new ATOM 0 HD12 LEU A 30 -4.177 8.519 -4.306 1.00 2.16 H new ATOM 0 HD13 LEU A 30 -3.062 7.196 -4.724 1.00 2.16 H new ATOM 0 HD21 LEU A 30 -1.190 8.868 -6.434 1.00 1.94 H new ATOM 0 HD22 LEU A 30 -1.814 7.286 -6.960 1.00 1.94 H new ATOM 0 HD23 LEU A 30 -2.021 8.715 -8.001 1.00 1.94 H new ATOM 467 N SER A 31 -6.946 10.204 -7.281 1.00 1.10 N ATOM 468 CA SER A 31 -7.469 11.582 -7.210 1.00 1.41 C ATOM 469 C SER A 31 -8.448 11.856 -6.053 1.00 1.66 C ATOM 470 O SER A 31 -8.867 12.998 -5.899 1.00 2.19 O ATOM 471 CB SER A 31 -8.100 11.982 -8.548 1.00 1.65 C ATOM 472 OG SER A 31 -7.217 11.707 -9.624 1.00 1.48 O ATOM 0 H SER A 31 -7.223 9.710 -8.129 1.00 1.10 H new ATOM 0 HA SER A 31 -6.599 12.203 -6.997 1.00 1.41 H new ATOM 0 HB2 SER A 31 -9.035 11.440 -8.691 1.00 1.65 H new ATOM 0 HB3 SER A 31 -8.346 13.044 -8.536 1.00 1.65 H new ATOM 0 HG SER A 31 -6.384 12.208 -9.500 1.00 1.48 H new ATOM 478 N GLN A 32 -8.799 10.866 -5.221 1.00 1.27 N ATOM 479 CA GLN A 32 -9.435 11.106 -3.920 1.00 1.43 C ATOM 480 C GLN A 32 -8.398 11.453 -2.832 1.00 1.56 C ATOM 481 O GLN A 32 -8.791 11.836 -1.732 1.00 1.86 O ATOM 482 CB GLN A 32 -10.242 9.861 -3.495 1.00 1.50 C ATOM 483 CG GLN A 32 -11.315 9.391 -4.490 1.00 1.66 C ATOM 484 CD GLN A 32 -12.307 10.479 -4.887 1.00 1.94 C ATOM 485 OE1 GLN A 32 -12.305 10.956 -6.010 1.00 2.56 O ATOM 486 NE2 GLN A 32 -13.178 10.919 -4.002 1.00 2.35 N ATOM 0 H GLN A 32 -8.650 9.879 -5.431 1.00 1.27 H new ATOM 0 HA GLN A 32 -10.103 11.960 -4.028 1.00 1.43 H new ATOM 0 HB2 GLN A 32 -9.546 9.040 -3.325 1.00 1.50 H new ATOM 0 HB3 GLN A 32 -10.725 10.072 -2.541 1.00 1.50 H new ATOM 0 HG2 GLN A 32 -10.824 9.015 -5.388 1.00 1.66 H new ATOM 0 HG3 GLN A 32 -11.862 8.556 -4.052 1.00 1.66 H new ATOM 0 HE21 GLN A 32 -13.190 10.528 -3.060 1.00 2.35 H new ATOM 0 HE22 GLN A 32 -13.841 11.651 -4.259 1.00 2.35 H new ATOM 495 N PHE A 33 -7.094 11.301 -3.118 1.00 1.08 N ATOM 496 CA PHE A 33 -5.982 11.363 -2.167 1.00 1.14 C ATOM 497 C PHE A 33 -4.691 11.976 -2.778 1.00 4.19 C ATOM 498 O PHE A 33 -3.581 11.578 -2.415 1.00 6.58 O ATOM 499 CB PHE A 33 -5.695 9.949 -1.616 1.00 1.32 C ATOM 500 CG PHE A 33 -6.871 9.031 -1.329 1.00 1.23 C ATOM 501 CD1 PHE A 33 -7.743 9.296 -0.257 1.00 1.91 C ATOM 502 CD2 PHE A 33 -7.065 7.880 -2.118 1.00 3.45 C ATOM 503 CE1 PHE A 33 -8.814 8.423 0.012 1.00 1.62 C ATOM 504 CE2 PHE A 33 -8.126 7.003 -1.839 1.00 6.73 C ATOM 505 CZ PHE A 33 -9.007 7.277 -0.779 1.00 2.35 C ATOM 0 H PHE A 33 -6.775 11.122 -4.070 1.00 1.08 H new ATOM 0 HA PHE A 33 -6.285 12.028 -1.358 1.00 1.14 H new ATOM 0 HB2 PHE A 33 -5.044 9.441 -2.328 1.00 1.32 H new ATOM 0 HB3 PHE A 33 -5.129 10.062 -0.691 1.00 1.32 H new ATOM 0 HD1 PHE A 33 -7.591 10.169 0.360 1.00 1.91 H new ATOM 0 HD2 PHE A 33 -6.396 7.671 -2.940 1.00 3.45 H new ATOM 0 HE1 PHE A 33 -9.489 8.634 0.828 1.00 1.62 H new ATOM 0 HE2 PHE A 33 -8.265 6.117 -2.440 1.00 6.73 H new ATOM 0 HZ PHE A 33 -9.830 6.609 -0.573 1.00 2.35 H new ATOM 515 N GLN A 34 -4.788 12.904 -3.736 1.00 0.93 N ATOM 516 CA GLN A 34 -3.594 13.560 -4.308 1.00 0.98 C ATOM 517 C GLN A 34 -2.928 14.516 -3.310 1.00 1.26 C ATOM 518 O GLN A 34 -1.743 14.368 -3.018 1.00 1.98 O ATOM 519 CB GLN A 34 -3.944 14.245 -5.642 1.00 1.13 C ATOM 520 CG GLN A 34 -3.883 13.189 -6.753 1.00 2.05 C ATOM 521 CD GLN A 34 -4.152 13.726 -8.158 1.00 2.10 C ATOM 522 OE1 GLN A 34 -5.080 13.298 -8.838 1.00 2.68 O ATOM 523 NE2 GLN A 34 -3.350 14.647 -8.646 1.00 2.41 N ATOM 0 H GLN A 34 -5.672 13.220 -4.134 1.00 0.93 H new ATOM 0 HA GLN A 34 -2.852 12.790 -4.519 1.00 0.98 H new ATOM 0 HB2 GLN A 34 -4.939 14.688 -5.593 1.00 1.13 H new ATOM 0 HB3 GLN A 34 -3.244 15.055 -5.849 1.00 1.13 H new ATOM 0 HG2 GLN A 34 -2.898 12.723 -6.739 1.00 2.05 H new ATOM 0 HG3 GLN A 34 -4.609 12.406 -6.532 1.00 2.05 H new ATOM 0 HE21 GLN A 34 -2.579 15.003 -8.081 1.00 2.41 H new ATOM 0 HE22 GLN A 34 -3.499 15.005 -9.589 1.00 2.41 H new ATOM 532 N ASP A 35 -3.711 15.417 -2.722 1.00 1.15 N ATOM 533 CA ASP A 35 -3.342 16.343 -1.633 1.00 1.38 C ATOM 534 C ASP A 35 -2.877 15.655 -0.321 1.00 1.61 C ATOM 535 O ASP A 35 -2.695 16.301 0.715 1.00 2.20 O ATOM 536 CB ASP A 35 -4.571 17.228 -1.361 1.00 1.61 C ATOM 537 CG ASP A 35 -5.073 17.944 -2.623 1.00 2.96 C ATOM 538 OD1 ASP A 35 -5.696 17.254 -3.467 1.00 4.40 O ATOM 539 OD2 ASP A 35 -4.829 19.166 -2.721 1.00 3.71 O ATOM 0 H ASP A 35 -4.684 15.534 -3.005 1.00 1.15 H new ATOM 0 HA ASP A 35 -2.475 16.916 -1.962 1.00 1.38 H new ATOM 0 HB2 ASP A 35 -5.373 16.614 -0.953 1.00 1.61 H new ATOM 0 HB3 ASP A 35 -4.320 17.969 -0.603 1.00 1.61 H new ATOM 544 N LYS A 36 -2.760 14.325 -0.337 1.00 1.12 N ATOM 545 CA LYS A 36 -2.445 13.435 0.780 1.00 1.23 C ATOM 546 C LYS A 36 -1.041 12.791 0.620 1.00 1.18 C ATOM 547 O LYS A 36 -0.263 13.120 -0.274 1.00 1.32 O ATOM 548 CB LYS A 36 -3.559 12.371 0.880 1.00 1.51 C ATOM 549 CG LYS A 36 -5.010 12.883 0.927 1.00 2.07 C ATOM 550 CD LYS A 36 -5.405 13.652 2.195 1.00 2.01 C ATOM 551 CE LYS A 36 -4.994 15.126 2.151 1.00 1.78 C ATOM 552 NZ LYS A 36 -5.593 15.916 3.251 1.00 1.84 N ATOM 0 H LYS A 36 -2.894 13.802 -1.202 1.00 1.12 H new ATOM 0 HA LYS A 36 -2.407 14.007 1.707 1.00 1.23 H new ATOM 0 HB2 LYS A 36 -3.464 11.699 0.027 1.00 1.51 H new ATOM 0 HB3 LYS A 36 -3.380 11.776 1.776 1.00 1.51 H new ATOM 0 HG2 LYS A 36 -5.175 13.530 0.066 1.00 2.07 H new ATOM 0 HG3 LYS A 36 -5.680 12.030 0.818 1.00 2.07 H new ATOM 0 HD2 LYS A 36 -6.484 13.585 2.333 1.00 2.01 H new ATOM 0 HD3 LYS A 36 -4.943 13.177 3.060 1.00 2.01 H new ATOM 0 HE2 LYS A 36 -3.908 15.199 2.206 1.00 1.78 H new ATOM 0 HE3 LYS A 36 -5.294 15.555 1.195 1.00 1.78 H new ATOM 0 HZ1 LYS A 36 -5.244 16.895 3.206 1.00 1.84 H new ATOM 0 HZ2 LYS A 36 -6.629 15.913 3.156 1.00 1.84 H new ATOM 0 HZ3 LYS A 36 -5.328 15.496 4.165 1.00 1.84 H new ATOM 566 N VAL A 37 -0.709 11.852 1.502 1.00 1.07 N ATOM 567 CA VAL A 37 0.533 11.073 1.535 1.00 0.87 C ATOM 568 C VAL A 37 0.101 9.628 1.753 1.00 1.17 C ATOM 569 O VAL A 37 -0.510 9.306 2.773 1.00 1.47 O ATOM 570 CB VAL A 37 1.481 11.556 2.656 1.00 0.95 C ATOM 571 CG1 VAL A 37 2.763 10.712 2.730 1.00 1.06 C ATOM 572 CG2 VAL A 37 1.850 13.031 2.428 1.00 1.41 C ATOM 0 H VAL A 37 -1.338 11.596 2.263 1.00 1.07 H new ATOM 0 HA VAL A 37 1.098 11.187 0.610 1.00 0.87 H new ATOM 0 HB VAL A 37 0.952 11.444 3.603 1.00 0.95 H new ATOM 0 HG11 VAL A 37 3.400 11.087 3.531 1.00 1.06 H new ATOM 0 HG12 VAL A 37 2.503 9.672 2.929 1.00 1.06 H new ATOM 0 HG13 VAL A 37 3.297 10.777 1.782 1.00 1.06 H new ATOM 0 HG21 VAL A 37 2.518 13.366 3.221 1.00 1.41 H new ATOM 0 HG22 VAL A 37 2.349 13.137 1.465 1.00 1.41 H new ATOM 0 HG23 VAL A 37 0.945 13.638 2.436 1.00 1.41 H new ATOM 582 N VAL A 38 0.327 8.807 0.725 1.00 0.59 N ATOM 583 CA VAL A 38 -0.423 7.570 0.508 1.00 0.57 C ATOM 584 C VAL A 38 0.526 6.427 0.170 1.00 0.91 C ATOM 585 O VAL A 38 1.370 6.544 -0.726 1.00 0.88 O ATOM 586 CB VAL A 38 -1.487 7.730 -0.598 1.00 0.65 C ATOM 587 CG1 VAL A 38 -2.437 6.527 -0.657 1.00 0.97 C ATOM 588 CG2 VAL A 38 -2.332 8.996 -0.411 1.00 1.03 C ATOM 0 H VAL A 38 1.039 8.983 0.017 1.00 0.59 H new ATOM 0 HA VAL A 38 -0.946 7.336 1.435 1.00 0.57 H new ATOM 0 HB VAL A 38 -0.927 7.803 -1.530 1.00 0.65 H new ATOM 0 HG11 VAL A 38 -3.170 6.681 -1.449 1.00 0.97 H new ATOM 0 HG12 VAL A 38 -1.866 5.622 -0.862 1.00 0.97 H new ATOM 0 HG13 VAL A 38 -2.951 6.422 0.298 1.00 0.97 H new ATOM 0 HG21 VAL A 38 -3.067 9.065 -1.213 1.00 1.03 H new ATOM 0 HG22 VAL A 38 -2.846 8.952 0.549 1.00 1.03 H new ATOM 0 HG23 VAL A 38 -1.685 9.873 -0.436 1.00 1.03 H new ATOM 598 N LEU A 39 0.384 5.338 0.926 1.00 0.71 N ATOM 599 CA LEU A 39 1.200 4.125 0.830 1.00 0.75 C ATOM 600 C LEU A 39 0.342 2.971 0.285 1.00 1.20 C ATOM 601 O LEU A 39 -0.582 2.520 0.959 1.00 1.29 O ATOM 602 CB LEU A 39 1.765 3.775 2.225 1.00 0.88 C ATOM 603 CG LEU A 39 2.986 4.600 2.690 1.00 1.08 C ATOM 604 CD1 LEU A 39 2.671 6.073 3.002 1.00 2.26 C ATOM 605 CD2 LEU A 39 3.599 3.945 3.935 1.00 1.31 C ATOM 0 H LEU A 39 -0.331 5.273 1.651 1.00 0.71 H new ATOM 0 HA LEU A 39 2.033 4.291 0.147 1.00 0.75 H new ATOM 0 HB2 LEU A 39 0.968 3.898 2.959 1.00 0.88 H new ATOM 0 HB3 LEU A 39 2.042 2.721 2.229 1.00 0.88 H new ATOM 0 HG LEU A 39 3.685 4.604 1.853 1.00 1.08 H new ATOM 0 HD11 LEU A 39 3.582 6.580 3.321 1.00 2.26 H new ATOM 0 HD12 LEU A 39 2.279 6.559 2.108 1.00 2.26 H new ATOM 0 HD13 LEU A 39 1.928 6.126 3.798 1.00 2.26 H new ATOM 0 HD21 LEU A 39 4.461 4.526 4.265 1.00 1.31 H new ATOM 0 HD22 LEU A 39 2.856 3.913 4.732 1.00 1.31 H new ATOM 0 HD23 LEU A 39 3.916 2.930 3.694 1.00 1.31 H new ATOM 617 N LEU A 40 0.657 2.495 -0.921 1.00 0.72 N ATOM 618 CA LEU A 40 -0.030 1.376 -1.574 1.00 0.67 C ATOM 619 C LEU A 40 0.747 0.088 -1.355 1.00 0.98 C ATOM 620 O LEU A 40 1.967 0.095 -1.484 1.00 1.08 O ATOM 621 CB LEU A 40 -0.143 1.608 -3.090 1.00 0.83 C ATOM 622 CG LEU A 40 -1.376 2.415 -3.520 1.00 0.88 C ATOM 623 CD1 LEU A 40 -1.091 3.922 -3.471 1.00 2.61 C ATOM 624 CD2 LEU A 40 -1.776 1.960 -4.927 1.00 2.04 C ATOM 0 H LEU A 40 1.413 2.884 -1.484 1.00 0.72 H new ATOM 0 HA LEU A 40 -1.026 1.303 -1.138 1.00 0.67 H new ATOM 0 HB2 LEU A 40 0.752 2.126 -3.433 1.00 0.83 H new ATOM 0 HB3 LEU A 40 -0.164 0.641 -3.592 1.00 0.83 H new ATOM 0 HG LEU A 40 -2.202 2.234 -2.832 1.00 0.88 H new ATOM 0 HD11 LEU A 40 -1.981 4.471 -3.780 1.00 2.61 H new ATOM 0 HD12 LEU A 40 -0.823 4.209 -2.454 1.00 2.61 H new ATOM 0 HD13 LEU A 40 -0.267 4.158 -4.144 1.00 2.61 H new ATOM 0 HD21 LEU A 40 -2.652 2.520 -5.255 1.00 2.04 H new ATOM 0 HD22 LEU A 40 -0.951 2.140 -5.616 1.00 2.04 H new ATOM 0 HD23 LEU A 40 -2.011 0.896 -4.912 1.00 2.04 H new ATOM 636 N PHE A 41 0.046 -1.016 -1.106 1.00 0.76 N ATOM 637 CA PHE A 41 0.633 -2.338 -0.881 1.00 0.76 C ATOM 638 C PHE A 41 -0.222 -3.409 -1.565 1.00 3.99 C ATOM 639 O PHE A 41 -1.429 -3.496 -1.318 1.00 5.92 O ATOM 640 CB PHE A 41 0.764 -2.576 0.635 1.00 0.78 C ATOM 641 CG PHE A 41 1.321 -3.932 1.045 1.00 0.96 C ATOM 642 CD1 PHE A 41 2.569 -4.367 0.566 1.00 2.25 C ATOM 643 CD2 PHE A 41 0.612 -4.740 1.957 1.00 3.26 C ATOM 644 CE1 PHE A 41 3.108 -5.592 1.002 1.00 2.01 C ATOM 645 CE2 PHE A 41 1.142 -5.972 2.379 1.00 4.76 C ATOM 646 CZ PHE A 41 2.395 -6.397 1.907 1.00 1.79 C ATOM 0 H PHE A 41 -0.973 -1.017 -1.053 1.00 0.76 H new ATOM 0 HA PHE A 41 1.630 -2.394 -1.319 1.00 0.76 H new ATOM 0 HB2 PHE A 41 1.405 -1.799 1.052 1.00 0.78 H new ATOM 0 HB3 PHE A 41 -0.219 -2.455 1.089 1.00 0.78 H new ATOM 0 HD1 PHE A 41 3.116 -3.759 -0.139 1.00 2.25 H new ATOM 0 HD2 PHE A 41 -0.345 -4.410 2.334 1.00 3.26 H new ATOM 0 HE1 PHE A 41 4.073 -5.915 0.640 1.00 2.01 H new ATOM 0 HE2 PHE A 41 0.586 -6.592 3.066 1.00 4.76 H new ATOM 0 HZ PHE A 41 2.809 -7.338 2.238 1.00 1.79 H new ATOM 656 N PHE A 42 0.404 -4.197 -2.446 1.00 0.80 N ATOM 657 CA PHE A 42 -0.275 -5.179 -3.299 1.00 0.82 C ATOM 658 C PHE A 42 -0.042 -6.604 -2.782 1.00 4.38 C ATOM 659 O PHE A 42 1.061 -7.147 -2.902 1.00 7.04 O ATOM 660 CB PHE A 42 0.194 -5.010 -4.751 1.00 0.87 C ATOM 661 CG PHE A 42 -0.400 -3.806 -5.461 1.00 0.90 C ATOM 662 CD1 PHE A 42 0.121 -2.517 -5.237 1.00 3.09 C ATOM 663 CD2 PHE A 42 -1.464 -3.976 -6.369 1.00 2.32 C ATOM 664 CE1 PHE A 42 -0.383 -1.414 -5.949 1.00 6.24 C ATOM 665 CE2 PHE A 42 -1.972 -2.871 -7.075 1.00 1.86 C ATOM 666 CZ PHE A 42 -1.427 -1.591 -6.873 1.00 1.74 C ATOM 0 H PHE A 42 1.414 -4.170 -2.589 1.00 0.80 H new ATOM 0 HA PHE A 42 -1.350 -5.004 -3.267 1.00 0.82 H new ATOM 0 HB2 PHE A 42 1.281 -4.925 -4.762 1.00 0.87 H new ATOM 0 HB3 PHE A 42 -0.061 -5.910 -5.310 1.00 0.87 H new ATOM 0 HD1 PHE A 42 0.911 -2.375 -4.515 1.00 3.09 H new ATOM 0 HD2 PHE A 42 -1.890 -4.956 -6.523 1.00 2.32 H new ATOM 0 HE1 PHE A 42 0.032 -0.431 -5.786 1.00 6.24 H new ATOM 0 HE2 PHE A 42 -2.784 -3.006 -7.775 1.00 1.86 H new ATOM 0 HZ PHE A 42 -1.810 -0.746 -7.426 1.00 1.74 H new ATOM 676 N GLY A 43 -1.089 -7.196 -2.194 1.00 0.95 N ATOM 677 CA GLY A 43 -1.107 -8.571 -1.694 1.00 1.22 C ATOM 678 C GLY A 43 -2.455 -9.274 -1.876 1.00 1.10 C ATOM 679 O GLY A 43 -3.460 -8.671 -2.246 1.00 0.91 O ATOM 0 H GLY A 43 -1.975 -6.712 -2.050 1.00 0.95 H new ATOM 0 HA2 GLY A 43 -0.336 -9.145 -2.207 1.00 1.22 H new ATOM 0 HA3 GLY A 43 -0.849 -8.567 -0.635 1.00 1.22 H new ATOM 683 N PHE A 44 -2.450 -10.567 -1.557 1.00 1.43 N ATOM 684 CA PHE A 44 -3.613 -11.457 -1.517 1.00 1.44 C ATOM 685 C PHE A 44 -4.139 -11.572 -0.079 1.00 3.36 C ATOM 686 O PHE A 44 -3.370 -11.795 0.863 1.00 5.45 O ATOM 687 CB PHE A 44 -3.121 -12.797 -2.101 1.00 1.54 C ATOM 688 CG PHE A 44 -4.046 -13.995 -2.199 1.00 1.62 C ATOM 689 CD1 PHE A 44 -5.447 -13.867 -2.195 1.00 2.77 C ATOM 690 CD2 PHE A 44 -3.470 -15.260 -2.425 1.00 2.62 C ATOM 691 CE1 PHE A 44 -6.260 -14.993 -2.394 1.00 5.28 C ATOM 692 CE2 PHE A 44 -4.282 -16.381 -2.661 1.00 3.33 C ATOM 693 CZ PHE A 44 -5.680 -16.248 -2.642 1.00 3.83 C ATOM 0 H PHE A 44 -1.588 -11.050 -1.305 1.00 1.43 H new ATOM 0 HA PHE A 44 -4.458 -11.088 -2.099 1.00 1.44 H new ATOM 0 HB2 PHE A 44 -2.757 -12.592 -3.108 1.00 1.54 H new ATOM 0 HB3 PHE A 44 -2.260 -13.106 -1.508 1.00 1.54 H new ATOM 0 HD1 PHE A 44 -5.898 -12.898 -2.038 1.00 2.77 H new ATOM 0 HD2 PHE A 44 -2.396 -15.369 -2.417 1.00 2.62 H new ATOM 0 HE1 PHE A 44 -7.335 -14.895 -2.356 1.00 5.28 H new ATOM 0 HE2 PHE A 44 -3.833 -17.343 -2.857 1.00 3.33 H new ATOM 0 HZ PHE A 44 -6.308 -17.109 -2.818 1.00 3.83 H new ATOM 703 N THR A 45 -5.457 -11.441 0.116 1.00 1.53 N ATOM 704 CA THR A 45 -6.082 -11.389 1.456 1.00 1.60 C ATOM 705 C THR A 45 -6.119 -12.750 2.173 1.00 1.92 C ATOM 706 O THR A 45 -6.559 -12.834 3.315 1.00 2.39 O ATOM 707 CB THR A 45 -7.440 -10.660 1.460 1.00 1.85 C ATOM 708 OG1 THR A 45 -7.546 -9.730 0.409 1.00 2.89 O ATOM 709 CG2 THR A 45 -7.568 -9.814 2.726 1.00 1.02 C ATOM 0 H THR A 45 -6.127 -11.367 -0.649 1.00 1.53 H new ATOM 0 HA THR A 45 -5.416 -10.772 2.059 1.00 1.60 H new ATOM 0 HB THR A 45 -8.198 -11.439 1.377 1.00 1.85 H new ATOM 0 HG1 THR A 45 -7.705 -10.205 -0.433 1.00 2.89 H new ATOM 0 HG21 THR A 45 -8.529 -9.300 2.725 1.00 1.02 H new ATOM 0 HG22 THR A 45 -7.502 -10.459 3.603 1.00 1.02 H new ATOM 0 HG23 THR A 45 -6.764 -9.079 2.755 1.00 1.02 H new ATOM 717 N ARG A 46 -5.527 -13.781 1.555 1.00 2.05 N ATOM 718 CA ARG A 46 -5.006 -15.003 2.192 1.00 2.07 C ATOM 719 C ARG A 46 -3.924 -14.713 3.270 1.00 1.74 C ATOM 720 O ARG A 46 -3.495 -15.634 3.956 1.00 2.40 O ATOM 721 CB ARG A 46 -4.483 -15.903 1.052 1.00 2.64 C ATOM 722 CG ARG A 46 -4.228 -17.380 1.401 1.00 3.40 C ATOM 723 CD ARG A 46 -3.727 -18.121 0.146 1.00 4.74 C ATOM 724 NE ARG A 46 -3.454 -19.561 0.330 1.00 5.48 N ATOM 725 CZ ARG A 46 -2.575 -20.150 1.131 1.00 6.01 C ATOM 726 NH1 ARG A 46 -1.834 -19.481 1.996 1.00 6.11 N ATOM 727 NH2 ARG A 46 -2.420 -21.454 1.065 1.00 6.97 N ATOM 0 H ARG A 46 -5.390 -13.788 0.544 1.00 2.05 H new ATOM 0 HA ARG A 46 -5.798 -15.506 2.747 1.00 2.07 H new ATOM 0 HB2 ARG A 46 -5.200 -15.866 0.232 1.00 2.64 H new ATOM 0 HB3 ARG A 46 -3.552 -15.475 0.680 1.00 2.64 H new ATOM 0 HG2 ARG A 46 -3.490 -17.455 2.200 1.00 3.40 H new ATOM 0 HG3 ARG A 46 -5.144 -17.842 1.769 1.00 3.40 H new ATOM 0 HD2 ARG A 46 -4.469 -18.007 -0.644 1.00 4.74 H new ATOM 0 HD3 ARG A 46 -2.815 -17.637 -0.202 1.00 4.74 H new ATOM 0 HE ARG A 46 -4.020 -20.191 -0.238 1.00 5.48 H new ATOM 0 HH11 ARG A 46 -1.925 -18.468 2.069 1.00 6.11 H new ATOM 0 HH12 ARG A 46 -1.171 -19.978 2.591 1.00 6.11 H new ATOM 0 HH21 ARG A 46 -2.972 -22.000 0.404 1.00 6.97 H new ATOM 0 HH22 ARG A 46 -1.748 -21.919 1.675 1.00 6.97 H new ATOM 741 N CYS A 47 -3.480 -13.450 3.402 1.00 1.55 N ATOM 742 CA CYS A 47 -2.749 -12.840 4.523 1.00 2.51 C ATOM 743 C CYS A 47 -1.809 -13.766 5.335 1.00 2.24 C ATOM 744 O CYS A 47 -2.034 -13.910 6.537 1.00 2.64 O ATOM 745 CB CYS A 47 -3.766 -12.121 5.432 1.00 3.94 C ATOM 746 SG CYS A 47 -4.489 -10.685 4.601 1.00 5.10 S ATOM 0 H CYS A 47 -3.639 -12.770 2.658 1.00 1.55 H new ATOM 0 HA CYS A 47 -2.045 -12.140 4.073 1.00 2.51 H new ATOM 0 HB2 CYS A 47 -4.557 -12.815 5.717 1.00 3.94 H new ATOM 0 HB3 CYS A 47 -3.274 -11.803 6.351 1.00 3.94 H new ATOM 0 HG CYS A 47 -5.627 -10.390 5.156 1.00 5.10 H new ATOM 752 N PRO A 48 -0.765 -14.361 4.719 1.00 1.94 N ATOM 753 CA PRO A 48 0.046 -15.397 5.348 1.00 1.91 C ATOM 754 C PRO A 48 0.898 -14.854 6.503 1.00 1.69 C ATOM 755 O PRO A 48 0.579 -15.124 7.656 1.00 1.92 O ATOM 756 CB PRO A 48 0.865 -16.024 4.211 1.00 2.48 C ATOM 757 CG PRO A 48 0.975 -14.905 3.177 1.00 2.67 C ATOM 758 CD PRO A 48 -0.347 -14.155 3.337 1.00 2.45 C ATOM 0 HA PRO A 48 -0.570 -16.155 5.833 1.00 1.91 H new ATOM 0 HB2 PRO A 48 1.847 -16.346 4.557 1.00 2.48 H new ATOM 0 HB3 PRO A 48 0.368 -16.902 3.798 1.00 2.48 H new ATOM 0 HG2 PRO A 48 1.831 -14.259 3.371 1.00 2.67 H new ATOM 0 HG3 PRO A 48 1.096 -15.299 2.168 1.00 2.67 H new ATOM 0 HD2 PRO A 48 -0.221 -13.094 3.122 1.00 2.45 H new ATOM 0 HD3 PRO A 48 -1.097 -14.534 2.643 1.00 2.45 H new ATOM 766 N ASP A 49 1.978 -14.115 6.228 1.00 1.24 N ATOM 767 CA ASP A 49 3.047 -13.895 7.208 1.00 1.37 C ATOM 768 C ASP A 49 3.585 -12.474 7.054 1.00 1.37 C ATOM 769 O ASP A 49 3.414 -11.643 7.943 1.00 1.63 O ATOM 770 CB ASP A 49 4.135 -14.982 7.027 1.00 2.05 C ATOM 771 CG ASP A 49 4.410 -15.426 5.576 1.00 4.32 C ATOM 772 OD1 ASP A 49 4.297 -14.575 4.660 1.00 5.35 O ATOM 773 OD2 ASP A 49 4.692 -16.625 5.379 1.00 5.60 O ATOM 0 H ASP A 49 2.135 -13.657 5.330 1.00 1.24 H new ATOM 0 HA ASP A 49 2.672 -13.985 8.227 1.00 1.37 H new ATOM 0 HB2 ASP A 49 5.066 -14.611 7.455 1.00 2.05 H new ATOM 0 HB3 ASP A 49 3.845 -15.859 7.606 1.00 2.05 H new ATOM 778 N VAL A 50 4.063 -12.172 5.849 1.00 1.24 N ATOM 779 CA VAL A 50 4.365 -10.834 5.344 1.00 1.13 C ATOM 780 C VAL A 50 3.196 -9.850 5.525 1.00 1.15 C ATOM 781 O VAL A 50 3.411 -8.663 5.732 1.00 1.34 O ATOM 782 CB VAL A 50 4.789 -10.932 3.862 1.00 1.18 C ATOM 783 CG1 VAL A 50 3.689 -11.480 2.930 1.00 1.42 C ATOM 784 CG2 VAL A 50 5.245 -9.578 3.325 1.00 1.83 C ATOM 0 H VAL A 50 4.262 -12.896 5.159 1.00 1.24 H new ATOM 0 HA VAL A 50 5.188 -10.430 5.934 1.00 1.13 H new ATOM 0 HB VAL A 50 5.614 -11.645 3.858 1.00 1.18 H new ATOM 0 HG11 VAL A 50 4.064 -11.518 1.907 1.00 1.42 H new ATOM 0 HG12 VAL A 50 3.407 -12.483 3.251 1.00 1.42 H new ATOM 0 HG13 VAL A 50 2.817 -10.827 2.972 1.00 1.42 H new ATOM 0 HG21 VAL A 50 5.537 -9.681 2.280 1.00 1.83 H new ATOM 0 HG22 VAL A 50 4.428 -8.861 3.405 1.00 1.83 H new ATOM 0 HG23 VAL A 50 6.096 -9.224 3.906 1.00 1.83 H new ATOM 794 N CYS A 51 1.940 -10.315 5.479 1.00 1.09 N ATOM 795 CA CYS A 51 0.776 -9.454 5.693 1.00 1.15 C ATOM 796 C CYS A 51 0.654 -9.000 7.162 1.00 1.43 C ATOM 797 O CYS A 51 0.653 -7.787 7.377 1.00 1.58 O ATOM 798 CB CYS A 51 -0.482 -10.134 5.139 1.00 1.34 C ATOM 799 SG CYS A 51 -0.387 -10.107 3.325 1.00 1.84 S ATOM 0 H CYS A 51 1.707 -11.291 5.294 1.00 1.09 H new ATOM 0 HA CYS A 51 0.907 -8.527 5.134 1.00 1.15 H new ATOM 0 HB2 CYS A 51 -0.551 -11.160 5.501 1.00 1.34 H new ATOM 0 HB3 CYS A 51 -1.377 -9.615 5.481 1.00 1.34 H new ATOM 0 HG CYS A 51 -1.575 -10.276 2.826 1.00 1.84 H new ATOM 805 N PRO A 52 0.571 -9.894 8.169 1.00 1.33 N ATOM 806 CA PRO A 52 0.507 -9.459 9.557 1.00 1.47 C ATOM 807 C PRO A 52 1.776 -8.749 10.053 1.00 1.62 C ATOM 808 O PRO A 52 1.624 -7.861 10.890 1.00 1.64 O ATOM 809 CB PRO A 52 0.152 -10.702 10.383 1.00 1.76 C ATOM 810 CG PRO A 52 0.520 -11.879 9.481 1.00 1.70 C ATOM 811 CD PRO A 52 0.298 -11.323 8.078 1.00 1.48 C ATOM 0 HA PRO A 52 -0.255 -8.687 9.667 1.00 1.47 H new ATOM 0 HB2 PRO A 52 0.710 -10.729 11.319 1.00 1.76 H new ATOM 0 HB3 PRO A 52 -0.906 -10.717 10.643 1.00 1.76 H new ATOM 0 HG2 PRO A 52 1.553 -12.194 9.631 1.00 1.70 H new ATOM 0 HG3 PRO A 52 -0.110 -12.747 9.675 1.00 1.70 H new ATOM 0 HD2 PRO A 52 0.961 -11.803 7.358 1.00 1.48 H new ATOM 0 HD3 PRO A 52 -0.723 -11.505 7.742 1.00 1.48 H new ATOM 819 N THR A 53 2.988 -9.054 9.555 1.00 1.29 N ATOM 820 CA THR A 53 4.203 -8.303 9.925 1.00 1.28 C ATOM 821 C THR A 53 4.217 -6.903 9.314 1.00 1.18 C ATOM 822 O THR A 53 4.233 -5.921 10.065 1.00 1.13 O ATOM 823 CB THR A 53 5.480 -9.074 9.569 1.00 1.45 C ATOM 824 OG1 THR A 53 5.442 -9.441 8.221 1.00 2.93 O ATOM 825 CG2 THR A 53 5.625 -10.353 10.387 1.00 1.94 C ATOM 0 H THR A 53 3.153 -9.815 8.896 1.00 1.29 H new ATOM 0 HA THR A 53 4.180 -8.186 11.008 1.00 1.28 H new ATOM 0 HB THR A 53 6.321 -8.416 9.785 1.00 1.45 H new ATOM 0 HG1 THR A 53 5.763 -8.697 7.670 1.00 2.93 H new ATOM 0 HG21 THR A 53 6.543 -10.866 10.101 1.00 1.94 H new ATOM 0 HG22 THR A 53 5.664 -10.104 11.448 1.00 1.94 H new ATOM 0 HG23 THR A 53 4.772 -11.004 10.198 1.00 1.94 H new ATOM 833 N THR A 54 4.143 -6.790 7.980 1.00 0.99 N ATOM 834 CA THR A 54 4.183 -5.501 7.263 1.00 0.90 C ATOM 835 C THR A 54 3.030 -4.601 7.691 1.00 0.97 C ATOM 836 O THR A 54 3.279 -3.436 7.984 1.00 0.93 O ATOM 837 CB THR A 54 4.254 -5.685 5.740 1.00 0.91 C ATOM 838 OG1 THR A 54 5.489 -6.250 5.352 1.00 1.24 O ATOM 839 CG2 THR A 54 4.165 -4.365 4.974 1.00 0.92 C ATOM 0 H THR A 54 4.053 -7.595 7.361 1.00 0.99 H new ATOM 0 HA THR A 54 5.107 -4.996 7.545 1.00 0.90 H new ATOM 0 HB THR A 54 3.406 -6.327 5.502 1.00 0.91 H new ATOM 0 HG1 THR A 54 5.877 -6.739 6.108 1.00 1.24 H new ATOM 0 HG21 THR A 54 4.221 -4.561 3.903 1.00 0.92 H new ATOM 0 HG22 THR A 54 3.220 -3.874 5.204 1.00 0.92 H new ATOM 0 HG23 THR A 54 4.991 -3.717 5.268 1.00 0.92 H new ATOM 847 N LEU A 55 1.785 -5.086 7.796 1.00 0.88 N ATOM 848 CA LEU A 55 0.665 -4.225 8.213 1.00 0.88 C ATOM 849 C LEU A 55 0.771 -3.779 9.675 1.00 1.25 C ATOM 850 O LEU A 55 0.269 -2.698 10.001 1.00 1.41 O ATOM 851 CB LEU A 55 -0.701 -4.893 7.964 1.00 0.92 C ATOM 852 CG LEU A 55 -1.265 -4.689 6.548 1.00 0.91 C ATOM 853 CD1 LEU A 55 -0.453 -5.349 5.433 1.00 2.71 C ATOM 854 CD2 LEU A 55 -2.725 -5.162 6.491 1.00 2.08 C ATOM 0 H LEU A 55 1.528 -6.054 7.602 1.00 0.88 H new ATOM 0 HA LEU A 55 0.735 -3.334 7.589 1.00 0.88 H new ATOM 0 HB2 LEU A 55 -0.608 -5.962 8.153 1.00 0.92 H new ATOM 0 HB3 LEU A 55 -1.418 -4.503 8.686 1.00 0.92 H new ATOM 0 HG LEU A 55 -1.200 -3.618 6.358 1.00 0.91 H new ATOM 0 HD11 LEU A 55 -0.927 -5.151 4.472 1.00 2.71 H new ATOM 0 HD12 LEU A 55 0.558 -4.942 5.430 1.00 2.71 H new ATOM 0 HD13 LEU A 55 -0.411 -6.425 5.602 1.00 2.71 H new ATOM 0 HD21 LEU A 55 -3.116 -5.014 5.485 1.00 2.08 H new ATOM 0 HD22 LEU A 55 -2.775 -6.220 6.748 1.00 2.08 H new ATOM 0 HD23 LEU A 55 -3.321 -4.588 7.200 1.00 2.08 H new ATOM 866 N LEU A 56 1.440 -4.550 10.543 1.00 0.90 N ATOM 867 CA LEU A 56 1.757 -4.085 11.888 1.00 0.88 C ATOM 868 C LEU A 56 2.807 -2.984 11.818 1.00 1.19 C ATOM 869 O LEU A 56 2.596 -1.932 12.417 1.00 1.30 O ATOM 870 CB LEU A 56 2.184 -5.265 12.782 1.00 0.93 C ATOM 871 CG LEU A 56 2.219 -4.921 14.287 1.00 1.17 C ATOM 872 CD1 LEU A 56 1.917 -6.179 15.112 1.00 1.73 C ATOM 873 CD2 LEU A 56 3.565 -4.332 14.743 1.00 1.78 C ATOM 0 H LEU A 56 1.768 -5.493 10.334 1.00 0.90 H new ATOM 0 HA LEU A 56 0.868 -3.655 12.349 1.00 0.88 H new ATOM 0 HB2 LEU A 56 1.497 -6.096 12.624 1.00 0.93 H new ATOM 0 HB3 LEU A 56 3.172 -5.605 12.473 1.00 0.93 H new ATOM 0 HG LEU A 56 1.459 -4.156 14.450 1.00 1.17 H new ATOM 0 HD11 LEU A 56 1.943 -5.933 16.174 1.00 1.73 H new ATOM 0 HD12 LEU A 56 0.928 -6.557 14.851 1.00 1.73 H new ATOM 0 HD13 LEU A 56 2.665 -6.942 14.899 1.00 1.73 H new ATOM 0 HD21 LEU A 56 3.523 -4.112 15.810 1.00 1.78 H new ATOM 0 HD22 LEU A 56 4.361 -5.052 14.552 1.00 1.78 H new ATOM 0 HD23 LEU A 56 3.766 -3.414 14.191 1.00 1.78 H new ATOM 885 N ALA A 57 3.904 -3.182 11.080 1.00 0.83 N ATOM 886 CA ALA A 57 4.967 -2.183 10.959 1.00 0.83 C ATOM 887 C ALA A 57 4.469 -0.866 10.339 1.00 0.90 C ATOM 888 O ALA A 57 4.779 0.204 10.877 1.00 1.09 O ATOM 889 CB ALA A 57 6.116 -2.795 10.154 1.00 0.86 C ATOM 0 H ALA A 57 4.078 -4.037 10.552 1.00 0.83 H new ATOM 0 HA ALA A 57 5.319 -1.917 11.955 1.00 0.83 H new ATOM 0 HB1 ALA A 57 6.919 -2.065 10.053 1.00 0.86 H new ATOM 0 HB2 ALA A 57 6.492 -3.678 10.670 1.00 0.86 H new ATOM 0 HB3 ALA A 57 5.757 -3.078 9.165 1.00 0.86 H new ATOM 895 N LEU A 58 3.657 -0.949 9.270 1.00 0.80 N ATOM 896 CA LEU A 58 2.974 0.192 8.650 1.00 0.81 C ATOM 897 C LEU A 58 2.156 0.953 9.698 1.00 1.16 C ATOM 898 O LEU A 58 2.417 2.132 9.944 1.00 1.32 O ATOM 899 CB LEU A 58 2.075 -0.298 7.492 1.00 0.83 C ATOM 900 CG LEU A 58 2.814 -0.747 6.211 1.00 1.06 C ATOM 901 CD1 LEU A 58 1.811 -1.368 5.227 1.00 1.32 C ATOM 902 CD2 LEU A 58 3.526 0.420 5.520 1.00 1.32 C ATOM 0 H LEU A 58 3.455 -1.834 8.805 1.00 0.80 H new ATOM 0 HA LEU A 58 3.718 0.876 8.241 1.00 0.81 H new ATOM 0 HB2 LEU A 58 1.473 -1.132 7.853 1.00 0.83 H new ATOM 0 HB3 LEU A 58 1.385 0.503 7.229 1.00 0.83 H new ATOM 0 HG LEU A 58 3.566 -1.478 6.508 1.00 1.06 H new ATOM 0 HD11 LEU A 58 2.335 -1.684 4.325 1.00 1.32 H new ATOM 0 HD12 LEU A 58 1.334 -2.231 5.690 1.00 1.32 H new ATOM 0 HD13 LEU A 58 1.052 -0.630 4.967 1.00 1.32 H new ATOM 0 HD21 LEU A 58 4.032 0.059 4.625 1.00 1.32 H new ATOM 0 HD22 LEU A 58 2.795 1.179 5.242 1.00 1.32 H new ATOM 0 HD23 LEU A 58 4.259 0.854 6.201 1.00 1.32 H new ATOM 914 N LYS A 59 1.220 0.287 10.385 1.00 0.81 N ATOM 915 CA LYS A 59 0.393 0.978 11.379 1.00 0.83 C ATOM 916 C LYS A 59 1.232 1.557 12.538 1.00 0.95 C ATOM 917 O LYS A 59 0.978 2.677 12.986 1.00 1.03 O ATOM 918 CB LYS A 59 -0.820 0.108 11.773 1.00 0.94 C ATOM 919 CG LYS A 59 -0.719 -0.944 12.888 1.00 1.05 C ATOM 920 CD LYS A 59 -0.784 -0.350 14.299 1.00 1.17 C ATOM 921 CE LYS A 59 -1.094 -1.427 15.344 1.00 1.16 C ATOM 922 NZ LYS A 59 -1.096 -0.843 16.707 1.00 1.84 N ATOM 0 H LYS A 59 1.019 -0.707 10.275 1.00 0.81 H new ATOM 0 HA LYS A 59 -0.043 1.872 10.934 1.00 0.83 H new ATOM 0 HB2 LYS A 59 -1.623 0.790 12.052 1.00 0.94 H new ATOM 0 HB3 LYS A 59 -1.143 -0.414 10.872 1.00 0.94 H new ATOM 0 HG2 LYS A 59 -1.527 -1.666 12.769 1.00 1.05 H new ATOM 0 HG3 LYS A 59 0.217 -1.491 12.776 1.00 1.05 H new ATOM 0 HD2 LYS A 59 0.166 0.129 14.538 1.00 1.17 H new ATOM 0 HD3 LYS A 59 -1.550 0.425 14.334 1.00 1.17 H new ATOM 0 HE2 LYS A 59 -2.064 -1.878 15.134 1.00 1.16 H new ATOM 0 HE3 LYS A 59 -0.353 -2.224 15.285 1.00 1.16 H new ATOM 0 HZ1 LYS A 59 -1.471 -1.539 17.382 1.00 1.84 H new ATOM 0 HZ2 LYS A 59 -0.125 -0.587 16.977 1.00 1.84 H new ATOM 0 HZ3 LYS A 59 -1.694 0.008 16.719 1.00 1.84 H new ATOM 936 N ARG A 60 2.296 0.870 12.986 1.00 0.83 N ATOM 937 CA ARG A 60 3.197 1.350 14.032 1.00 0.86 C ATOM 938 C ARG A 60 4.002 2.603 13.641 1.00 1.23 C ATOM 939 O ARG A 60 4.420 3.331 14.542 1.00 1.27 O ATOM 940 CB ARG A 60 4.087 0.169 14.457 1.00 0.91 C ATOM 941 CG ARG A 60 4.369 0.113 15.956 1.00 1.42 C ATOM 942 CD ARG A 60 5.625 0.855 16.441 1.00 2.47 C ATOM 943 NE ARG A 60 6.858 0.069 16.261 1.00 3.70 N ATOM 944 CZ ARG A 60 8.101 0.543 16.252 1.00 5.09 C ATOM 945 NH1 ARG A 60 8.371 1.830 16.289 1.00 5.63 N ATOM 946 NH2 ARG A 60 9.119 -0.279 16.182 1.00 6.54 N ATOM 0 H ARG A 60 2.553 -0.048 12.622 1.00 0.83 H new ATOM 0 HA ARG A 60 2.605 1.695 14.879 1.00 0.86 H new ATOM 0 HB2 ARG A 60 3.608 -0.762 14.153 1.00 0.91 H new ATOM 0 HB3 ARG A 60 5.034 0.230 13.921 1.00 0.91 H new ATOM 0 HG2 ARG A 60 3.506 0.521 16.482 1.00 1.42 H new ATOM 0 HG3 ARG A 60 4.455 -0.933 16.249 1.00 1.42 H new ATOM 0 HD2 ARG A 60 5.717 1.796 15.899 1.00 2.47 H new ATOM 0 HD3 ARG A 60 5.509 1.104 17.496 1.00 2.47 H new ATOM 0 HE ARG A 60 6.748 -0.937 16.131 1.00 3.70 H new ATOM 0 HH11 ARG A 60 7.611 2.510 16.326 1.00 5.63 H new ATOM 0 HH12 ARG A 60 9.340 2.148 16.280 1.00 5.63 H new ATOM 0 HH21 ARG A 60 8.960 -1.285 16.134 1.00 6.54 H new ATOM 0 HH22 ARG A 60 10.071 0.087 16.175 1.00 6.54 H new ATOM 960 N ALA A 61 4.188 2.888 12.344 1.00 0.82 N ATOM 961 CA ALA A 61 4.722 4.170 11.869 1.00 0.82 C ATOM 962 C ALA A 61 3.691 5.290 12.075 1.00 0.90 C ATOM 963 O ALA A 61 3.997 6.275 12.742 1.00 1.01 O ATOM 964 CB ALA A 61 5.166 4.034 10.401 1.00 0.86 C ATOM 0 H ALA A 61 3.971 2.232 11.593 1.00 0.82 H new ATOM 0 HA ALA A 61 5.601 4.444 12.453 1.00 0.82 H new ATOM 0 HB1 ALA A 61 5.562 4.987 10.051 1.00 0.86 H new ATOM 0 HB2 ALA A 61 5.939 3.270 10.324 1.00 0.86 H new ATOM 0 HB3 ALA A 61 4.311 3.749 9.787 1.00 0.86 H new ATOM 970 N TYR A 62 2.454 5.106 11.592 1.00 0.79 N ATOM 971 CA TYR A 62 1.338 6.054 11.764 1.00 0.88 C ATOM 972 C TYR A 62 1.083 6.421 13.237 1.00 1.19 C ATOM 973 O TYR A 62 0.892 7.593 13.563 1.00 1.35 O ATOM 974 CB TYR A 62 0.066 5.479 11.118 1.00 0.96 C ATOM 975 CG TYR A 62 -1.175 6.320 11.373 1.00 1.57 C ATOM 976 CD1 TYR A 62 -1.483 7.395 10.521 1.00 2.12 C ATOM 977 CD2 TYR A 62 -1.981 6.070 12.504 1.00 2.60 C ATOM 978 CE1 TYR A 62 -2.576 8.235 10.801 1.00 2.66 C ATOM 979 CE2 TYR A 62 -3.067 6.916 12.802 1.00 3.25 C ATOM 980 CZ TYR A 62 -3.353 8.013 11.960 1.00 2.96 C ATOM 981 OH TYR A 62 -4.405 8.829 12.233 1.00 3.70 O ATOM 0 H TYR A 62 2.193 4.276 11.059 1.00 0.79 H new ATOM 0 HA TYR A 62 1.619 6.981 11.264 1.00 0.88 H new ATOM 0 HB2 TYR A 62 0.222 5.391 10.043 1.00 0.96 H new ATOM 0 HB3 TYR A 62 -0.102 4.472 11.499 1.00 0.96 H new ATOM 0 HD1 TYR A 62 -0.877 7.577 9.646 1.00 2.12 H new ATOM 0 HD2 TYR A 62 -1.764 5.227 13.143 1.00 2.60 H new ATOM 0 HE1 TYR A 62 -2.820 9.047 10.132 1.00 2.66 H new ATOM 0 HE2 TYR A 62 -3.679 6.726 13.671 1.00 3.25 H new ATOM 0 HH TYR A 62 -4.835 8.541 13.065 1.00 3.70 H new ATOM 991 N GLU A 63 1.160 5.433 14.137 1.00 0.92 N ATOM 992 CA GLU A 63 0.968 5.590 15.587 1.00 1.12 C ATOM 993 C GLU A 63 2.036 6.475 16.243 1.00 1.25 C ATOM 994 O GLU A 63 1.899 6.866 17.402 1.00 1.56 O ATOM 995 CB GLU A 63 0.967 4.213 16.270 1.00 1.35 C ATOM 996 CG GLU A 63 -0.322 3.436 16.006 1.00 1.46 C ATOM 997 CD GLU A 63 -0.325 2.088 16.722 1.00 2.07 C ATOM 998 OE1 GLU A 63 0.667 1.325 16.624 1.00 3.12 O ATOM 999 OE2 GLU A 63 -1.368 1.729 17.307 1.00 2.43 O ATOM 0 H GLU A 63 1.364 4.470 13.869 1.00 0.92 H new ATOM 0 HA GLU A 63 0.006 6.086 15.719 1.00 1.12 H new ATOM 0 HB2 GLU A 63 1.818 3.633 15.914 1.00 1.35 H new ATOM 0 HB3 GLU A 63 1.097 4.343 17.344 1.00 1.35 H new ATOM 0 HG2 GLU A 63 -1.177 4.026 16.337 1.00 1.46 H new ATOM 0 HG3 GLU A 63 -0.439 3.279 14.934 1.00 1.46 H new ATOM 1006 N LYS A 64 3.152 6.721 15.562 1.00 0.86 N ATOM 1007 CA LYS A 64 4.263 7.554 16.015 1.00 0.88 C ATOM 1008 C LYS A 64 4.297 8.933 15.331 1.00 1.08 C ATOM 1009 O LYS A 64 5.190 9.731 15.621 1.00 1.32 O ATOM 1010 CB LYS A 64 5.559 6.738 15.824 1.00 0.96 C ATOM 1011 CG LYS A 64 5.980 5.993 17.103 1.00 1.73 C ATOM 1012 CD LYS A 64 5.059 4.822 17.505 1.00 3.11 C ATOM 1013 CE LYS A 64 4.595 4.860 18.970 1.00 4.39 C ATOM 1014 NZ LYS A 64 3.712 6.018 19.272 1.00 5.81 N ATOM 0 H LYS A 64 3.314 6.326 14.635 1.00 0.86 H new ATOM 0 HA LYS A 64 4.141 7.798 17.070 1.00 0.88 H new ATOM 0 HB2 LYS A 64 5.416 6.018 15.018 1.00 0.96 H new ATOM 0 HB3 LYS A 64 6.363 7.406 15.515 1.00 0.96 H new ATOM 0 HG2 LYS A 64 6.992 5.611 16.967 1.00 1.73 H new ATOM 0 HG3 LYS A 64 6.017 6.706 17.926 1.00 1.73 H new ATOM 0 HD2 LYS A 64 4.182 4.825 16.858 1.00 3.11 H new ATOM 0 HD3 LYS A 64 5.584 3.884 17.326 1.00 3.11 H new ATOM 0 HE2 LYS A 64 4.065 3.936 19.201 1.00 4.39 H new ATOM 0 HE3 LYS A 64 5.469 4.897 19.621 1.00 4.39 H new ATOM 0 HZ1 LYS A 64 3.244 5.868 20.189 1.00 5.81 H new ATOM 0 HZ2 LYS A 64 4.281 6.888 19.312 1.00 5.81 H new ATOM 0 HZ3 LYS A 64 2.992 6.109 18.527 1.00 5.81 H new ATOM 1028 N LEU A 65 3.335 9.254 14.460 1.00 0.92 N ATOM 1029 CA LEU A 65 3.239 10.564 13.810 1.00 0.99 C ATOM 1030 C LEU A 65 2.486 11.595 14.685 1.00 1.33 C ATOM 1031 O LEU A 65 1.611 11.210 15.461 1.00 1.59 O ATOM 1032 CB LEU A 65 2.568 10.396 12.438 1.00 1.09 C ATOM 1033 CG LEU A 65 3.260 9.431 11.458 1.00 1.15 C ATOM 1034 CD1 LEU A 65 2.538 9.478 10.107 1.00 1.59 C ATOM 1035 CD2 LEU A 65 4.747 9.763 11.272 1.00 1.59 C ATOM 0 H LEU A 65 2.596 8.607 14.185 1.00 0.92 H new ATOM 0 HA LEU A 65 4.246 10.960 13.674 1.00 0.99 H new ATOM 0 HB2 LEU A 65 1.546 10.050 12.596 1.00 1.09 H new ATOM 0 HB3 LEU A 65 2.503 11.376 11.966 1.00 1.09 H new ATOM 0 HG LEU A 65 3.205 8.427 11.879 1.00 1.15 H new ATOM 0 HD11 LEU A 65 3.025 8.796 9.410 1.00 1.59 H new ATOM 0 HD12 LEU A 65 1.498 9.180 10.240 1.00 1.59 H new ATOM 0 HD13 LEU A 65 2.577 10.492 9.709 1.00 1.59 H new ATOM 0 HD21 LEU A 65 5.193 9.056 10.573 1.00 1.59 H new ATOM 0 HD22 LEU A 65 4.848 10.775 10.879 1.00 1.59 H new ATOM 0 HD23 LEU A 65 5.258 9.694 12.232 1.00 1.59 H new ATOM 1047 N PRO A 66 2.774 12.907 14.549 1.00 1.14 N ATOM 1048 CA PRO A 66 2.045 13.972 15.239 1.00 1.30 C ATOM 1049 C PRO A 66 0.662 14.201 14.598 1.00 1.41 C ATOM 1050 O PRO A 66 0.440 13.778 13.460 1.00 1.24 O ATOM 1051 CB PRO A 66 2.943 15.211 15.102 1.00 1.48 C ATOM 1052 CG PRO A 66 3.624 14.996 13.754 1.00 1.44 C ATOM 1053 CD PRO A 66 3.815 13.485 13.706 1.00 1.29 C ATOM 0 HA PRO A 66 1.847 13.729 16.283 1.00 1.30 H new ATOM 0 HB2 PRO A 66 2.363 16.133 15.118 1.00 1.48 H new ATOM 0 HB3 PRO A 66 3.667 15.276 15.914 1.00 1.48 H new ATOM 0 HG2 PRO A 66 3.007 15.352 12.929 1.00 1.44 H new ATOM 0 HG3 PRO A 66 4.575 15.526 13.693 1.00 1.44 H new ATOM 0 HD2 PRO A 66 3.735 13.116 12.683 1.00 1.29 H new ATOM 0 HD3 PRO A 66 4.805 13.208 14.068 1.00 1.29 H new ATOM 1061 N PRO A 67 -0.256 14.942 15.255 1.00 1.29 N ATOM 1062 CA PRO A 67 -1.548 15.290 14.669 1.00 1.44 C ATOM 1063 C PRO A 67 -1.412 16.096 13.368 1.00 1.59 C ATOM 1064 O PRO A 67 -2.226 15.920 12.468 1.00 1.60 O ATOM 1065 CB PRO A 67 -2.304 16.062 15.758 1.00 1.77 C ATOM 1066 CG PRO A 67 -1.198 16.608 16.657 1.00 1.82 C ATOM 1067 CD PRO A 67 -0.135 15.512 16.589 1.00 1.53 C ATOM 0 HA PRO A 67 -2.093 14.395 14.369 1.00 1.44 H new ATOM 0 HB2 PRO A 67 -2.906 16.865 15.333 1.00 1.77 H new ATOM 0 HB3 PRO A 67 -2.983 15.412 16.310 1.00 1.77 H new ATOM 0 HG2 PRO A 67 -0.818 17.563 16.296 1.00 1.82 H new ATOM 0 HG3 PRO A 67 -1.548 16.769 17.677 1.00 1.82 H new ATOM 0 HD2 PRO A 67 0.862 15.920 16.753 1.00 1.53 H new ATOM 0 HD3 PRO A 67 -0.300 14.756 17.356 1.00 1.53 H new ATOM 1075 N LYS A 68 -0.345 16.892 13.197 1.00 1.39 N ATOM 1076 CA LYS A 68 -0.135 17.666 11.959 1.00 1.47 C ATOM 1077 C LYS A 68 0.228 16.781 10.748 1.00 1.58 C ATOM 1078 O LYS A 68 0.134 17.217 9.601 1.00 1.66 O ATOM 1079 CB LYS A 68 0.948 18.736 12.200 1.00 1.79 C ATOM 1080 CG LYS A 68 0.495 19.936 13.056 1.00 2.06 C ATOM 1081 CD LYS A 68 -0.744 20.693 12.536 1.00 2.16 C ATOM 1082 CE LYS A 68 -0.629 21.086 11.053 1.00 3.04 C ATOM 1083 NZ LYS A 68 -1.919 21.574 10.516 1.00 3.19 N ATOM 0 H LYS A 68 0.386 17.018 13.898 1.00 1.39 H new ATOM 0 HA LYS A 68 -1.081 18.146 11.708 1.00 1.47 H new ATOM 0 HB2 LYS A 68 1.803 18.264 12.685 1.00 1.79 H new ATOM 0 HB3 LYS A 68 1.293 19.106 11.235 1.00 1.79 H new ATOM 0 HG2 LYS A 68 0.285 19.581 14.065 1.00 2.06 H new ATOM 0 HG3 LYS A 68 1.324 20.640 13.131 1.00 2.06 H new ATOM 0 HD2 LYS A 68 -1.628 20.070 12.674 1.00 2.16 H new ATOM 0 HD3 LYS A 68 -0.891 21.592 13.134 1.00 2.16 H new ATOM 0 HE2 LYS A 68 0.129 21.861 10.939 1.00 3.04 H new ATOM 0 HE3 LYS A 68 -0.295 20.226 10.473 1.00 3.04 H new ATOM 0 HZ1 LYS A 68 -1.868 21.620 9.478 1.00 3.19 H new ATOM 0 HZ2 LYS A 68 -2.680 20.923 10.797 1.00 3.19 H new ATOM 0 HZ3 LYS A 68 -2.117 22.522 10.895 1.00 3.19 H new ATOM 1097 N ALA A 69 0.690 15.554 10.998 1.00 1.20 N ATOM 1098 CA ALA A 69 0.882 14.532 9.978 1.00 1.20 C ATOM 1099 C ALA A 69 -0.437 13.893 9.527 1.00 1.33 C ATOM 1100 O ALA A 69 -0.713 13.884 8.334 1.00 1.49 O ATOM 1101 CB ALA A 69 1.869 13.496 10.495 1.00 1.51 C ATOM 0 H ALA A 69 0.945 15.241 11.935 1.00 1.20 H new ATOM 0 HA ALA A 69 1.292 15.006 9.086 1.00 1.20 H new ATOM 0 HB1 ALA A 69 2.019 12.727 9.738 1.00 1.51 H new ATOM 0 HB2 ALA A 69 2.821 13.979 10.715 1.00 1.51 H new ATOM 0 HB3 ALA A 69 1.475 13.039 11.403 1.00 1.51 H new ATOM 1107 N GLN A 70 -1.252 13.343 10.443 1.00 1.19 N ATOM 1108 CA GLN A 70 -2.389 12.482 10.060 1.00 1.30 C ATOM 1109 C GLN A 70 -3.364 13.138 9.068 1.00 1.38 C ATOM 1110 O GLN A 70 -3.884 12.443 8.201 1.00 1.74 O ATOM 1111 CB GLN A 70 -3.103 11.888 11.281 1.00 1.45 C ATOM 1112 CG GLN A 70 -3.868 12.896 12.140 1.00 2.18 C ATOM 1113 CD GLN A 70 -4.603 12.209 13.290 1.00 2.46 C ATOM 1114 OE1 GLN A 70 -5.721 11.750 13.164 1.00 3.03 O ATOM 1115 NE2 GLN A 70 -3.999 12.070 14.452 1.00 2.66 N ATOM 0 H GLN A 70 -1.148 13.477 11.449 1.00 1.19 H new ATOM 0 HA GLN A 70 -1.948 11.650 9.511 1.00 1.30 H new ATOM 0 HB2 GLN A 70 -3.800 11.123 10.938 1.00 1.45 H new ATOM 0 HB3 GLN A 70 -2.364 11.388 11.907 1.00 1.45 H new ATOM 0 HG2 GLN A 70 -3.174 13.635 12.540 1.00 2.18 H new ATOM 0 HG3 GLN A 70 -4.584 13.435 11.519 1.00 2.18 H new ATOM 0 HE21 GLN A 70 -3.060 12.445 14.587 1.00 2.66 H new ATOM 0 HE22 GLN A 70 -4.470 11.587 15.217 1.00 2.66 H new ATOM 1124 N GLU A 71 -3.478 14.472 9.104 1.00 1.23 N ATOM 1125 CA GLU A 71 -4.149 15.352 8.126 1.00 1.30 C ATOM 1126 C GLU A 71 -3.966 14.929 6.664 1.00 1.47 C ATOM 1127 O GLU A 71 -4.862 15.128 5.840 1.00 1.77 O ATOM 1128 CB GLU A 71 -3.586 16.786 8.209 1.00 1.38 C ATOM 1129 CG GLU A 71 -3.286 17.245 9.628 1.00 1.58 C ATOM 1130 CD GLU A 71 -2.932 18.726 9.720 1.00 2.23 C ATOM 1131 OE1 GLU A 71 -2.250 19.289 8.829 1.00 3.03 O ATOM 1132 OE2 GLU A 71 -3.262 19.315 10.764 1.00 3.00 O ATOM 0 H GLU A 71 -3.075 15.008 9.873 1.00 1.23 H new ATOM 0 HA GLU A 71 -5.204 15.287 8.393 1.00 1.30 H new ATOM 0 HB2 GLU A 71 -2.672 16.843 7.618 1.00 1.38 H new ATOM 0 HB3 GLU A 71 -4.301 17.474 7.758 1.00 1.38 H new ATOM 0 HG2 GLU A 71 -4.153 17.046 10.258 1.00 1.58 H new ATOM 0 HG3 GLU A 71 -2.460 16.656 10.026 1.00 1.58 H new ATOM 1139 N ARG A 72 -2.787 14.394 6.332 1.00 1.17 N ATOM 1140 CA ARG A 72 -2.454 13.885 5.009 1.00 1.35 C ATOM 1141 C ARG A 72 -2.301 12.358 4.917 1.00 1.64 C ATOM 1142 O ARG A 72 -2.057 11.913 3.805 1.00 1.97 O ATOM 1143 CB ARG A 72 -1.212 14.605 4.448 1.00 1.63 C ATOM 1144 CG ARG A 72 0.040 14.464 5.324 1.00 1.71 C ATOM 1145 CD ARG A 72 0.256 15.720 6.178 1.00 1.51 C ATOM 1146 NE ARG A 72 1.209 16.611 5.524 1.00 1.90 N ATOM 1147 CZ ARG A 72 1.443 17.895 5.708 1.00 2.30 C ATOM 1148 NH1 ARG A 72 0.702 18.657 6.491 1.00 3.04 N ATOM 1149 NH2 ARG A 72 2.480 18.397 5.077 1.00 3.05 N ATOM 0 H ARG A 72 -2.020 14.303 6.999 1.00 1.17 H new ATOM 0 HA ARG A 72 -3.321 14.111 4.388 1.00 1.35 H new ATOM 0 HB2 ARG A 72 -0.994 14.212 3.455 1.00 1.63 H new ATOM 0 HB3 ARG A 72 -1.442 15.664 4.328 1.00 1.63 H new ATOM 0 HG2 ARG A 72 -0.060 13.593 5.971 1.00 1.71 H new ATOM 0 HG3 ARG A 72 0.913 14.294 4.693 1.00 1.71 H new ATOM 0 HD2 ARG A 72 -0.693 16.236 6.328 1.00 1.51 H new ATOM 0 HD3 ARG A 72 0.626 15.440 7.164 1.00 1.51 H new ATOM 0 HE ARG A 72 1.787 16.169 4.809 1.00 1.90 H new ATOM 0 HH11 ARG A 72 -0.094 18.256 6.987 1.00 3.04 H new ATOM 0 HH12 ARG A 72 0.926 19.646 6.600 1.00 3.04 H new ATOM 0 HH21 ARG A 72 3.054 17.799 4.483 1.00 3.05 H new ATOM 0 HH22 ARG A 72 2.711 19.385 5.181 1.00 3.05 H new ATOM 1163 N VAL A 73 -2.409 11.543 5.971 1.00 1.22 N ATOM 1164 CA VAL A 73 -1.954 10.129 5.899 1.00 1.13 C ATOM 1165 C VAL A 73 -3.106 9.146 5.679 1.00 1.38 C ATOM 1166 O VAL A 73 -3.996 9.025 6.518 1.00 1.70 O ATOM 1167 CB VAL A 73 -1.087 9.697 7.104 1.00 1.27 C ATOM 1168 CG1 VAL A 73 -0.578 8.250 6.940 1.00 1.74 C ATOM 1169 CG2 VAL A 73 0.139 10.611 7.235 1.00 1.88 C ATOM 0 H VAL A 73 -2.798 11.820 6.872 1.00 1.22 H new ATOM 0 HA VAL A 73 -1.313 10.092 5.018 1.00 1.13 H new ATOM 0 HB VAL A 73 -1.717 9.767 7.991 1.00 1.27 H new ATOM 0 HG11 VAL A 73 0.028 7.977 7.804 1.00 1.74 H new ATOM 0 HG12 VAL A 73 -1.428 7.572 6.864 1.00 1.74 H new ATOM 0 HG13 VAL A 73 0.026 8.177 6.036 1.00 1.74 H new ATOM 0 HG21 VAL A 73 0.740 10.294 8.088 1.00 1.88 H new ATOM 0 HG22 VAL A 73 0.738 10.549 6.326 1.00 1.88 H new ATOM 0 HG23 VAL A 73 -0.188 11.640 7.384 1.00 1.88 H new ATOM 1179 N GLN A 74 -3.037 8.398 4.573 1.00 0.95 N ATOM 1180 CA GLN A 74 -3.889 7.252 4.240 1.00 0.96 C ATOM 1181 C GLN A 74 -2.988 6.048 3.935 1.00 1.07 C ATOM 1182 O GLN A 74 -2.060 6.180 3.141 1.00 1.26 O ATOM 1183 CB GLN A 74 -4.721 7.550 2.973 1.00 1.25 C ATOM 1184 CG GLN A 74 -6.065 8.259 3.185 1.00 1.59 C ATOM 1185 CD GLN A 74 -5.955 9.669 3.755 1.00 1.98 C ATOM 1186 OE1 GLN A 74 -5.482 10.607 3.136 1.00 2.86 O ATOM 1187 NE2 GLN A 74 -6.402 9.885 4.973 1.00 2.86 N ATOM 0 H GLN A 74 -2.347 8.587 3.846 1.00 0.95 H new ATOM 0 HA GLN A 74 -4.556 7.051 5.079 1.00 0.96 H new ATOM 0 HB2 GLN A 74 -4.115 8.161 2.304 1.00 1.25 H new ATOM 0 HB3 GLN A 74 -4.910 6.607 2.460 1.00 1.25 H new ATOM 0 HG2 GLN A 74 -6.590 8.307 2.231 1.00 1.59 H new ATOM 0 HG3 GLN A 74 -6.677 7.656 3.856 1.00 1.59 H new ATOM 0 HE21 GLN A 74 -6.803 9.118 5.513 1.00 2.86 H new ATOM 0 HE22 GLN A 74 -6.348 10.820 5.378 1.00 2.86 H new ATOM 1196 N VAL A 75 -3.285 4.866 4.487 1.00 0.74 N ATOM 1197 CA VAL A 75 -2.618 3.614 4.069 1.00 0.73 C ATOM 1198 C VAL A 75 -3.600 2.788 3.227 1.00 0.87 C ATOM 1199 O VAL A 75 -4.793 2.740 3.530 1.00 1.09 O ATOM 1200 CB VAL A 75 -2.062 2.808 5.265 1.00 0.81 C ATOM 1201 CG1 VAL A 75 -0.963 1.834 4.800 1.00 1.08 C ATOM 1202 CG2 VAL A 75 -1.437 3.700 6.354 1.00 1.01 C ATOM 0 H VAL A 75 -3.980 4.744 5.223 1.00 0.74 H new ATOM 0 HA VAL A 75 -1.747 3.868 3.464 1.00 0.73 H new ATOM 0 HB VAL A 75 -2.920 2.279 5.681 1.00 0.81 H new ATOM 0 HG11 VAL A 75 -0.585 1.276 5.657 1.00 1.08 H new ATOM 0 HG12 VAL A 75 -1.378 1.140 4.069 1.00 1.08 H new ATOM 0 HG13 VAL A 75 -0.148 2.396 4.344 1.00 1.08 H new ATOM 0 HG21 VAL A 75 -1.065 3.076 7.166 1.00 1.01 H new ATOM 0 HG22 VAL A 75 -0.612 4.271 5.928 1.00 1.01 H new ATOM 0 HG23 VAL A 75 -2.191 4.386 6.740 1.00 1.01 H new ATOM 1212 N ILE A 76 -3.128 2.181 2.138 1.00 0.86 N ATOM 1213 CA ILE A 76 -3.954 1.542 1.100 1.00 0.81 C ATOM 1214 C ILE A 76 -3.465 0.115 0.835 1.00 0.95 C ATOM 1215 O ILE A 76 -2.370 -0.109 0.319 1.00 1.23 O ATOM 1216 CB ILE A 76 -3.938 2.370 -0.208 1.00 0.95 C ATOM 1217 CG1 ILE A 76 -4.417 3.828 -0.043 1.00 1.25 C ATOM 1218 CG2 ILE A 76 -4.768 1.676 -1.305 1.00 0.94 C ATOM 1219 CD1 ILE A 76 -5.865 4.018 0.416 1.00 1.40 C ATOM 0 H ILE A 76 -2.129 2.116 1.943 1.00 0.86 H new ATOM 0 HA ILE A 76 -4.982 1.499 1.461 1.00 0.81 H new ATOM 0 HB ILE A 76 -2.889 2.420 -0.501 1.00 0.95 H new ATOM 0 HG12 ILE A 76 -3.763 4.324 0.674 1.00 1.25 H new ATOM 0 HG13 ILE A 76 -4.290 4.340 -0.997 1.00 1.25 H new ATOM 0 HG21 ILE A 76 -4.742 2.276 -2.215 1.00 0.94 H new ATOM 0 HG22 ILE A 76 -4.350 0.690 -1.508 1.00 0.94 H new ATOM 0 HG23 ILE A 76 -5.799 1.571 -0.969 1.00 0.94 H new ATOM 0 HD11 ILE A 76 -6.085 5.083 0.495 1.00 1.40 H new ATOM 0 HD12 ILE A 76 -6.539 3.561 -0.309 1.00 1.40 H new ATOM 0 HD13 ILE A 76 -6.003 3.545 1.388 1.00 1.40 H new ATOM 1231 N PHE A 77 -4.314 -0.866 1.122 1.00 0.72 N ATOM 1232 CA PHE A 77 -4.083 -2.256 0.746 1.00 0.69 C ATOM 1233 C PHE A 77 -4.846 -2.536 -0.550 1.00 3.64 C ATOM 1234 O PHE A 77 -6.011 -2.161 -0.672 1.00 5.70 O ATOM 1235 CB PHE A 77 -4.523 -3.182 1.891 1.00 0.76 C ATOM 1236 CG PHE A 77 -4.459 -4.653 1.528 1.00 0.92 C ATOM 1237 CD1 PHE A 77 -3.228 -5.236 1.169 1.00 3.51 C ATOM 1238 CD2 PHE A 77 -5.634 -5.428 1.494 1.00 1.72 C ATOM 1239 CE1 PHE A 77 -3.174 -6.583 0.768 1.00 4.86 C ATOM 1240 CE2 PHE A 77 -5.580 -6.769 1.080 1.00 1.58 C ATOM 1241 CZ PHE A 77 -4.352 -7.348 0.715 1.00 2.02 C ATOM 0 H PHE A 77 -5.188 -0.718 1.626 1.00 0.72 H new ATOM 0 HA PHE A 77 -3.024 -2.444 0.571 1.00 0.69 H new ATOM 0 HB2 PHE A 77 -3.890 -3.001 2.760 1.00 0.76 H new ATOM 0 HB3 PHE A 77 -5.543 -2.930 2.182 1.00 0.76 H new ATOM 0 HD1 PHE A 77 -2.323 -4.647 1.202 1.00 3.51 H new ATOM 0 HD2 PHE A 77 -6.577 -4.991 1.786 1.00 1.72 H new ATOM 0 HE1 PHE A 77 -2.228 -7.029 0.501 1.00 4.86 H new ATOM 0 HE2 PHE A 77 -6.485 -7.357 1.042 1.00 1.58 H new ATOM 0 HZ PHE A 77 -4.314 -8.379 0.394 1.00 2.02 H new ATOM 1251 N VAL A 78 -4.197 -3.176 -1.519 1.00 0.68 N ATOM 1252 CA VAL A 78 -4.807 -3.501 -2.814 1.00 0.57 C ATOM 1253 C VAL A 78 -4.698 -5.001 -3.050 1.00 0.89 C ATOM 1254 O VAL A 78 -3.656 -5.614 -2.810 1.00 1.10 O ATOM 1255 CB VAL A 78 -4.189 -2.709 -3.990 1.00 0.53 C ATOM 1256 CG1 VAL A 78 -5.036 -2.864 -5.267 1.00 0.91 C ATOM 1257 CG2 VAL A 78 -4.085 -1.203 -3.684 1.00 1.01 C ATOM 0 H VAL A 78 -3.229 -3.487 -1.432 1.00 0.68 H new ATOM 0 HA VAL A 78 -5.855 -3.203 -2.775 1.00 0.57 H new ATOM 0 HB VAL A 78 -3.191 -3.122 -4.137 1.00 0.53 H new ATOM 0 HG11 VAL A 78 -4.579 -2.297 -6.078 1.00 0.91 H new ATOM 0 HG12 VAL A 78 -5.087 -3.917 -5.544 1.00 0.91 H new ATOM 0 HG13 VAL A 78 -6.043 -2.488 -5.084 1.00 0.91 H new ATOM 0 HG21 VAL A 78 -3.645 -0.688 -4.538 1.00 1.01 H new ATOM 0 HG22 VAL A 78 -5.080 -0.801 -3.491 1.00 1.01 H new ATOM 0 HG23 VAL A 78 -3.456 -1.053 -2.807 1.00 1.01 H new ATOM 1267 N SER A 79 -5.807 -5.566 -3.518 1.00 0.81 N ATOM 1268 CA SER A 79 -5.953 -6.942 -3.985 1.00 1.06 C ATOM 1269 C SER A 79 -4.944 -7.343 -5.064 1.00 1.17 C ATOM 1270 O SER A 79 -4.463 -6.504 -5.825 1.00 1.77 O ATOM 1271 CB SER A 79 -7.337 -7.065 -4.631 1.00 1.96 C ATOM 1272 OG SER A 79 -7.456 -6.131 -5.696 1.00 3.62 O ATOM 0 H SER A 79 -6.681 -5.044 -3.586 1.00 0.81 H new ATOM 0 HA SER A 79 -5.798 -7.586 -3.119 1.00 1.06 H new ATOM 0 HB2 SER A 79 -7.485 -8.078 -5.005 1.00 1.96 H new ATOM 0 HB3 SER A 79 -8.113 -6.883 -3.887 1.00 1.96 H new ATOM 0 HG SER A 79 -8.245 -6.348 -6.235 1.00 3.62 H new ATOM 1278 N VAL A 80 -4.740 -8.653 -5.211 1.00 0.94 N ATOM 1279 CA VAL A 80 -3.978 -9.240 -6.332 1.00 0.97 C ATOM 1280 C VAL A 80 -4.693 -10.458 -6.943 1.00 1.39 C ATOM 1281 O VAL A 80 -4.536 -10.716 -8.137 1.00 1.55 O ATOM 1282 CB VAL A 80 -2.531 -9.578 -5.893 1.00 0.89 C ATOM 1283 CG1 VAL A 80 -1.723 -10.222 -7.026 1.00 2.41 C ATOM 1284 CG2 VAL A 80 -1.757 -8.320 -5.450 1.00 1.82 C ATOM 0 H VAL A 80 -5.098 -9.347 -4.555 1.00 0.94 H new ATOM 0 HA VAL A 80 -3.921 -8.491 -7.122 1.00 0.97 H new ATOM 0 HB VAL A 80 -2.639 -10.273 -5.061 1.00 0.89 H new ATOM 0 HG11 VAL A 80 -0.715 -10.442 -6.674 1.00 2.41 H new ATOM 0 HG12 VAL A 80 -2.208 -11.146 -7.339 1.00 2.41 H new ATOM 0 HG13 VAL A 80 -1.671 -9.536 -7.871 1.00 2.41 H new ATOM 0 HG21 VAL A 80 -0.747 -8.601 -5.150 1.00 1.82 H new ATOM 0 HG22 VAL A 80 -1.706 -7.613 -6.278 1.00 1.82 H new ATOM 0 HG23 VAL A 80 -2.270 -7.855 -4.608 1.00 1.82 H new ATOM 1294 N ASP A 81 -5.527 -11.166 -6.171 1.00 1.10 N ATOM 1295 CA ASP A 81 -6.372 -12.259 -6.649 1.00 1.14 C ATOM 1296 C ASP A 81 -7.851 -11.810 -6.633 1.00 1.22 C ATOM 1297 O ASP A 81 -8.579 -12.182 -5.718 1.00 1.43 O ATOM 1298 CB ASP A 81 -6.128 -13.489 -5.750 1.00 1.16 C ATOM 1299 CG ASP A 81 -6.973 -14.692 -6.173 1.00 1.77 C ATOM 1300 OD1 ASP A 81 -7.175 -14.841 -7.400 1.00 2.74 O ATOM 1301 OD2 ASP A 81 -7.397 -15.479 -5.301 1.00 2.44 O ATOM 0 H ASP A 81 -5.633 -10.987 -5.172 1.00 1.10 H new ATOM 0 HA ASP A 81 -6.126 -12.528 -7.676 1.00 1.14 H new ATOM 0 HB2 ASP A 81 -5.072 -13.759 -5.785 1.00 1.16 H new ATOM 0 HB3 ASP A 81 -6.357 -13.232 -4.716 1.00 1.16 H new ATOM 1306 N PRO A 82 -8.334 -10.998 -7.598 1.00 1.15 N ATOM 1307 CA PRO A 82 -9.694 -10.446 -7.564 1.00 1.22 C ATOM 1308 C PRO A 82 -10.800 -11.509 -7.682 1.00 1.32 C ATOM 1309 O PRO A 82 -11.943 -11.233 -7.323 1.00 1.58 O ATOM 1310 CB PRO A 82 -9.746 -9.418 -8.701 1.00 1.49 C ATOM 1311 CG PRO A 82 -8.681 -9.910 -9.681 1.00 1.52 C ATOM 1312 CD PRO A 82 -7.614 -10.496 -8.758 1.00 1.31 C ATOM 0 HA PRO A 82 -9.894 -9.989 -6.595 1.00 1.22 H new ATOM 0 HB2 PRO A 82 -10.732 -9.383 -9.165 1.00 1.49 H new ATOM 0 HB3 PRO A 82 -9.527 -8.412 -8.342 1.00 1.49 H new ATOM 0 HG2 PRO A 82 -9.078 -10.659 -10.367 1.00 1.52 H new ATOM 0 HG3 PRO A 82 -8.286 -9.097 -10.290 1.00 1.52 H new ATOM 0 HD2 PRO A 82 -7.063 -11.295 -9.254 1.00 1.31 H new ATOM 0 HD3 PRO A 82 -6.886 -9.738 -8.470 1.00 1.31 H new ATOM 1320 N GLU A 83 -10.472 -12.736 -8.109 1.00 1.22 N ATOM 1321 CA GLU A 83 -11.362 -13.906 -8.047 1.00 1.30 C ATOM 1322 C GLU A 83 -11.697 -14.344 -6.597 1.00 1.34 C ATOM 1323 O GLU A 83 -12.629 -15.124 -6.389 1.00 1.73 O ATOM 1324 CB GLU A 83 -10.695 -15.069 -8.808 1.00 1.36 C ATOM 1325 CG GLU A 83 -10.624 -14.859 -10.333 1.00 1.97 C ATOM 1326 CD GLU A 83 -9.499 -15.698 -10.940 1.00 2.31 C ATOM 1327 OE1 GLU A 83 -9.479 -16.935 -10.750 1.00 2.63 O ATOM 1328 OE2 GLU A 83 -8.518 -15.097 -11.431 1.00 3.08 O ATOM 0 H GLU A 83 -9.561 -12.949 -8.516 1.00 1.22 H new ATOM 0 HA GLU A 83 -12.310 -13.627 -8.507 1.00 1.30 H new ATOM 0 HB2 GLU A 83 -9.685 -15.210 -8.423 1.00 1.36 H new ATOM 0 HB3 GLU A 83 -11.245 -15.987 -8.603 1.00 1.36 H new ATOM 0 HG2 GLU A 83 -11.576 -15.133 -10.788 1.00 1.97 H new ATOM 0 HG3 GLU A 83 -10.458 -13.804 -10.553 1.00 1.97 H new ATOM 1335 N ARG A 84 -10.966 -13.842 -5.584 1.00 1.08 N ATOM 1336 CA ARG A 84 -11.129 -14.230 -4.176 1.00 1.12 C ATOM 1337 C ARG A 84 -10.818 -13.121 -3.154 1.00 1.36 C ATOM 1338 O ARG A 84 -11.184 -13.282 -1.992 1.00 1.59 O ATOM 1339 CB ARG A 84 -10.319 -15.523 -3.925 1.00 1.26 C ATOM 1340 CG ARG A 84 -11.177 -16.671 -3.373 1.00 1.89 C ATOM 1341 CD ARG A 84 -11.585 -16.464 -1.912 1.00 2.95 C ATOM 1342 NE ARG A 84 -12.507 -17.519 -1.455 1.00 3.69 N ATOM 1343 CZ ARG A 84 -13.827 -17.494 -1.538 1.00 4.84 C ATOM 1344 NH1 ARG A 84 -14.450 -16.484 -2.111 1.00 5.76 N ATOM 1345 NH2 ARG A 84 -14.513 -18.496 -1.037 1.00 5.77 N ATOM 0 H ARG A 84 -10.235 -13.145 -5.726 1.00 1.08 H new ATOM 0 HA ARG A 84 -12.190 -14.418 -4.009 1.00 1.12 H new ATOM 0 HB2 ARG A 84 -9.854 -15.841 -4.858 1.00 1.26 H new ATOM 0 HB3 ARG A 84 -9.513 -15.310 -3.223 1.00 1.26 H new ATOM 0 HG2 ARG A 84 -12.074 -16.773 -3.984 1.00 1.89 H new ATOM 0 HG3 ARG A 84 -10.623 -17.606 -3.461 1.00 1.89 H new ATOM 0 HD2 ARG A 84 -10.696 -16.458 -1.282 1.00 2.95 H new ATOM 0 HD3 ARG A 84 -12.061 -15.490 -1.800 1.00 2.95 H new ATOM 0 HE ARG A 84 -12.087 -18.348 -1.034 1.00 3.69 H new ATOM 0 HH11 ARG A 84 -13.914 -15.707 -2.498 1.00 5.76 H new ATOM 0 HH12 ARG A 84 -15.468 -16.479 -2.168 1.00 5.76 H new ATOM 0 HH21 ARG A 84 -14.027 -19.275 -0.593 1.00 5.77 H new ATOM 0 HH22 ARG A 84 -15.532 -18.495 -1.091 1.00 5.77 H new ATOM 1359 N ASP A 85 -10.248 -11.986 -3.554 1.00 1.09 N ATOM 1360 CA ASP A 85 -10.225 -10.719 -2.822 1.00 1.24 C ATOM 1361 C ASP A 85 -11.501 -9.930 -3.197 1.00 1.42 C ATOM 1362 O ASP A 85 -11.550 -9.367 -4.290 1.00 2.05 O ATOM 1363 CB ASP A 85 -8.984 -9.879 -3.255 1.00 1.78 C ATOM 1364 CG ASP A 85 -7.588 -10.409 -2.893 1.00 2.52 C ATOM 1365 OD1 ASP A 85 -7.456 -11.033 -1.816 1.00 2.42 O ATOM 1366 OD2 ASP A 85 -6.615 -10.093 -3.631 1.00 3.99 O ATOM 0 H ASP A 85 -9.762 -11.921 -4.448 1.00 1.09 H new ATOM 0 HA ASP A 85 -10.177 -10.911 -1.750 1.00 1.24 H new ATOM 0 HB2 ASP A 85 -9.024 -9.759 -4.338 1.00 1.78 H new ATOM 0 HB3 ASP A 85 -9.086 -8.885 -2.820 1.00 1.78 H new ATOM 1371 N PRO A 86 -12.558 -9.853 -2.363 1.00 0.79 N ATOM 1372 CA PRO A 86 -13.617 -8.855 -2.515 1.00 0.85 C ATOM 1373 C PRO A 86 -13.290 -7.603 -1.675 1.00 1.03 C ATOM 1374 O PRO A 86 -12.684 -7.740 -0.605 1.00 0.86 O ATOM 1375 CB PRO A 86 -14.889 -9.552 -2.032 1.00 0.80 C ATOM 1376 CG PRO A 86 -14.357 -10.457 -0.925 1.00 0.81 C ATOM 1377 CD PRO A 86 -12.983 -10.890 -1.438 1.00 0.77 C ATOM 0 HA PRO A 86 -13.727 -8.507 -3.542 1.00 0.85 H new ATOM 0 HB2 PRO A 86 -15.626 -8.841 -1.658 1.00 0.80 H new ATOM 0 HB3 PRO A 86 -15.369 -10.121 -2.828 1.00 0.80 H new ATOM 0 HG2 PRO A 86 -14.281 -9.926 0.024 1.00 0.81 H new ATOM 0 HG3 PRO A 86 -15.011 -11.313 -0.760 1.00 0.81 H new ATOM 0 HD2 PRO A 86 -12.275 -10.995 -0.616 1.00 0.77 H new ATOM 0 HD3 PRO A 86 -13.039 -11.858 -1.936 1.00 0.77 H new ATOM 1385 N PRO A 87 -13.713 -6.391 -2.097 1.00 0.62 N ATOM 1386 CA PRO A 87 -13.254 -5.126 -1.516 1.00 0.75 C ATOM 1387 C PRO A 87 -13.527 -4.992 -0.018 1.00 0.99 C ATOM 1388 O PRO A 87 -12.694 -4.427 0.681 1.00 0.92 O ATOM 1389 CB PRO A 87 -13.941 -4.011 -2.312 1.00 0.80 C ATOM 1390 CG PRO A 87 -15.096 -4.699 -3.033 1.00 0.76 C ATOM 1391 CD PRO A 87 -14.588 -6.126 -3.231 1.00 0.63 C ATOM 0 HA PRO A 87 -12.168 -5.071 -1.590 1.00 0.75 H new ATOM 0 HB2 PRO A 87 -14.301 -3.220 -1.654 1.00 0.80 H new ATOM 0 HB3 PRO A 87 -13.253 -3.549 -3.020 1.00 0.80 H new ATOM 0 HG2 PRO A 87 -16.010 -4.676 -2.440 1.00 0.76 H new ATOM 0 HG3 PRO A 87 -15.321 -4.217 -3.984 1.00 0.76 H new ATOM 0 HD2 PRO A 87 -15.415 -6.836 -3.262 1.00 0.63 H new ATOM 0 HD3 PRO A 87 -14.049 -6.223 -4.173 1.00 0.63 H new ATOM 1399 N GLU A 88 -14.629 -5.553 0.498 1.00 0.64 N ATOM 1400 CA GLU A 88 -14.872 -5.586 1.943 1.00 0.77 C ATOM 1401 C GLU A 88 -13.851 -6.428 2.710 1.00 1.19 C ATOM 1402 O GLU A 88 -13.444 -6.014 3.788 1.00 1.47 O ATOM 1403 CB GLU A 88 -16.272 -6.130 2.259 1.00 0.90 C ATOM 1404 CG GLU A 88 -17.308 -5.022 2.463 1.00 1.42 C ATOM 1405 CD GLU A 88 -18.273 -5.451 3.557 1.00 2.27 C ATOM 1406 OE1 GLU A 88 -19.287 -6.101 3.242 1.00 2.92 O ATOM 1407 OE2 GLU A 88 -17.950 -5.200 4.739 1.00 3.36 O ATOM 0 H GLU A 88 -15.362 -5.988 -0.062 1.00 0.64 H new ATOM 0 HA GLU A 88 -14.779 -4.550 2.270 1.00 0.77 H new ATOM 0 HB2 GLU A 88 -16.597 -6.779 1.446 1.00 0.90 H new ATOM 0 HB3 GLU A 88 -16.223 -6.745 3.157 1.00 0.90 H new ATOM 0 HG2 GLU A 88 -16.815 -4.090 2.739 1.00 1.42 H new ATOM 0 HG3 GLU A 88 -17.848 -4.835 1.535 1.00 1.42 H new ATOM 1414 N VAL A 89 -13.432 -7.586 2.196 1.00 0.82 N ATOM 1415 CA VAL A 89 -12.501 -8.467 2.930 1.00 0.86 C ATOM 1416 C VAL A 89 -11.114 -7.827 2.964 1.00 1.10 C ATOM 1417 O VAL A 89 -10.446 -7.894 3.993 1.00 1.03 O ATOM 1418 CB VAL A 89 -12.441 -9.888 2.332 1.00 0.89 C ATOM 1419 CG1 VAL A 89 -11.354 -10.782 2.950 1.00 1.06 C ATOM 1420 CG2 VAL A 89 -13.785 -10.609 2.530 1.00 1.08 C ATOM 0 H VAL A 89 -13.716 -7.940 1.282 1.00 0.82 H new ATOM 0 HA VAL A 89 -12.874 -8.578 3.948 1.00 0.86 H new ATOM 0 HB VAL A 89 -12.205 -9.740 1.278 1.00 0.89 H new ATOM 0 HG11 VAL A 89 -11.377 -11.763 2.476 1.00 1.06 H new ATOM 0 HG12 VAL A 89 -10.376 -10.326 2.794 1.00 1.06 H new ATOM 0 HG13 VAL A 89 -11.537 -10.891 4.019 1.00 1.06 H new ATOM 0 HG21 VAL A 89 -13.727 -11.610 2.103 1.00 1.08 H new ATOM 0 HG22 VAL A 89 -14.006 -10.681 3.595 1.00 1.08 H new ATOM 0 HG23 VAL A 89 -14.576 -10.048 2.033 1.00 1.08 H new ATOM 1430 N ALA A 90 -10.720 -7.153 1.876 1.00 0.84 N ATOM 1431 CA ALA A 90 -9.544 -6.293 1.866 1.00 0.84 C ATOM 1432 C ALA A 90 -9.664 -5.177 2.920 1.00 0.88 C ATOM 1433 O ALA A 90 -8.704 -4.934 3.648 1.00 0.98 O ATOM 1434 CB ALA A 90 -9.361 -5.744 0.442 1.00 0.89 C ATOM 0 H ALA A 90 -11.211 -7.193 0.983 1.00 0.84 H new ATOM 0 HA ALA A 90 -8.656 -6.863 2.138 1.00 0.84 H new ATOM 0 HB1 ALA A 90 -8.485 -5.096 0.412 1.00 0.89 H new ATOM 0 HB2 ALA A 90 -9.224 -6.573 -0.253 1.00 0.89 H new ATOM 0 HB3 ALA A 90 -10.244 -5.173 0.156 1.00 0.89 H new ATOM 1440 N ASP A 91 -10.824 -4.519 3.040 1.00 0.62 N ATOM 1441 CA ASP A 91 -10.994 -3.409 3.983 1.00 0.60 C ATOM 1442 C ASP A 91 -11.014 -3.858 5.446 1.00 0.99 C ATOM 1443 O ASP A 91 -10.244 -3.312 6.232 1.00 1.11 O ATOM 1444 CB ASP A 91 -12.223 -2.553 3.648 1.00 0.61 C ATOM 1445 CG ASP A 91 -12.135 -1.200 4.369 1.00 0.83 C ATOM 1446 OD1 ASP A 91 -11.173 -0.453 4.091 1.00 2.02 O ATOM 1447 OD2 ASP A 91 -13.004 -0.848 5.198 1.00 1.37 O ATOM 0 H ASP A 91 -11.658 -4.737 2.495 1.00 0.62 H new ATOM 0 HA ASP A 91 -10.109 -2.784 3.863 1.00 0.60 H new ATOM 0 HB2 ASP A 91 -12.285 -2.397 2.571 1.00 0.61 H new ATOM 0 HB3 ASP A 91 -13.132 -3.075 3.947 1.00 0.61 H new ATOM 1452 N ARG A 92 -11.821 -4.857 5.838 1.00 0.64 N ATOM 1453 CA ARG A 92 -11.905 -5.291 7.241 1.00 0.68 C ATOM 1454 C ARG A 92 -10.543 -5.758 7.769 1.00 1.19 C ATOM 1455 O ARG A 92 -10.168 -5.418 8.888 1.00 1.49 O ATOM 1456 CB ARG A 92 -12.957 -6.395 7.445 1.00 0.76 C ATOM 1457 CG ARG A 92 -14.341 -6.039 6.884 1.00 1.24 C ATOM 1458 CD ARG A 92 -15.502 -6.723 7.616 1.00 1.34 C ATOM 1459 NE ARG A 92 -16.822 -6.367 7.050 1.00 2.42 N ATOM 1460 CZ ARG A 92 -18.015 -6.574 7.599 1.00 3.16 C ATOM 1461 NH1 ARG A 92 -18.145 -7.083 8.808 1.00 3.24 N ATOM 1462 NH2 ARG A 92 -19.100 -6.262 6.927 1.00 4.44 N ATOM 0 H ARG A 92 -12.424 -5.379 5.203 1.00 0.64 H new ATOM 0 HA ARG A 92 -12.219 -4.418 7.814 1.00 0.68 H new ATOM 0 HB2 ARG A 92 -12.607 -7.311 6.969 1.00 0.76 H new ATOM 0 HB3 ARG A 92 -13.049 -6.604 8.511 1.00 0.76 H new ATOM 0 HG2 ARG A 92 -14.477 -4.959 6.937 1.00 1.24 H new ATOM 0 HG3 ARG A 92 -14.377 -6.314 5.830 1.00 1.24 H new ATOM 0 HD2 ARG A 92 -15.370 -7.804 7.568 1.00 1.34 H new ATOM 0 HD3 ARG A 92 -15.476 -6.445 8.670 1.00 1.34 H new ATOM 0 HE ARG A 92 -16.816 -5.912 6.137 1.00 2.42 H new ATOM 0 HH11 ARG A 92 -17.316 -7.330 9.349 1.00 3.24 H new ATOM 0 HH12 ARG A 92 -19.074 -7.230 9.202 1.00 3.24 H new ATOM 0 HH21 ARG A 92 -19.023 -5.864 5.991 1.00 4.44 H new ATOM 0 HH22 ARG A 92 -20.019 -6.418 7.341 1.00 4.44 H new ATOM 1476 N TYR A 93 -9.790 -6.501 6.955 1.00 0.65 N ATOM 1477 CA TYR A 93 -8.432 -6.971 7.308 1.00 0.71 C ATOM 1478 C TYR A 93 -7.414 -5.819 7.461 1.00 1.05 C ATOM 1479 O TYR A 93 -6.582 -5.839 8.369 1.00 1.33 O ATOM 1480 CB TYR A 93 -7.935 -8.010 6.282 1.00 0.77 C ATOM 1481 CG TYR A 93 -7.299 -9.263 6.867 1.00 1.27 C ATOM 1482 CD1 TYR A 93 -6.238 -9.184 7.794 1.00 1.81 C ATOM 1483 CD2 TYR A 93 -7.775 -10.528 6.466 1.00 2.58 C ATOM 1484 CE1 TYR A 93 -5.663 -10.356 8.322 1.00 2.15 C ATOM 1485 CE2 TYR A 93 -7.196 -11.704 6.978 1.00 3.21 C ATOM 1486 CZ TYR A 93 -6.140 -11.623 7.911 1.00 2.58 C ATOM 1487 OH TYR A 93 -5.589 -12.768 8.396 1.00 3.32 O ATOM 0 H TYR A 93 -10.098 -6.799 6.029 1.00 0.65 H new ATOM 0 HA TYR A 93 -8.509 -7.445 8.287 1.00 0.71 H new ATOM 0 HB2 TYR A 93 -8.777 -8.310 5.659 1.00 0.77 H new ATOM 0 HB3 TYR A 93 -7.209 -7.528 5.627 1.00 0.77 H new ATOM 0 HD1 TYR A 93 -5.864 -8.218 8.101 1.00 1.81 H new ATOM 0 HD2 TYR A 93 -8.590 -10.595 5.761 1.00 2.58 H new ATOM 0 HE1 TYR A 93 -4.859 -10.288 9.040 1.00 2.15 H new ATOM 0 HE2 TYR A 93 -7.560 -12.669 6.657 1.00 3.21 H new ATOM 0 HH TYR A 93 -6.044 -13.542 8.003 1.00 3.32 H new ATOM 1497 N ALA A 94 -7.496 -4.786 6.618 1.00 0.66 N ATOM 1498 CA ALA A 94 -6.669 -3.576 6.702 1.00 0.73 C ATOM 1499 C ALA A 94 -7.053 -2.694 7.916 1.00 0.88 C ATOM 1500 O ALA A 94 -6.201 -2.297 8.715 1.00 0.98 O ATOM 1501 CB ALA A 94 -6.822 -2.886 5.339 1.00 0.81 C ATOM 0 H ALA A 94 -8.154 -4.766 5.839 1.00 0.66 H new ATOM 0 HA ALA A 94 -5.619 -3.800 6.888 1.00 0.73 H new ATOM 0 HB1 ALA A 94 -6.230 -1.971 5.326 1.00 0.81 H new ATOM 0 HB2 ALA A 94 -6.474 -3.554 4.552 1.00 0.81 H new ATOM 0 HB3 ALA A 94 -7.871 -2.642 5.170 1.00 0.81 H new ATOM 1507 N LYS A 95 -8.354 -2.460 8.121 1.00 0.72 N ATOM 1508 CA LYS A 95 -8.924 -1.733 9.268 1.00 0.77 C ATOM 1509 C LYS A 95 -8.620 -2.397 10.623 1.00 1.05 C ATOM 1510 O LYS A 95 -8.500 -1.695 11.629 1.00 1.25 O ATOM 1511 CB LYS A 95 -10.449 -1.622 9.111 1.00 0.89 C ATOM 1512 CG LYS A 95 -10.977 -0.712 7.992 1.00 1.52 C ATOM 1513 CD LYS A 95 -10.896 0.780 8.350 1.00 1.21 C ATOM 1514 CE LYS A 95 -11.793 1.639 7.445 1.00 1.36 C ATOM 1515 NZ LYS A 95 -11.468 1.465 6.013 1.00 1.67 N ATOM 0 H LYS A 95 -9.069 -2.783 7.469 1.00 0.72 H new ATOM 0 HA LYS A 95 -8.454 -0.750 9.269 1.00 0.77 H new ATOM 0 HB2 LYS A 95 -10.845 -2.624 8.946 1.00 0.89 H new ATOM 0 HB3 LYS A 95 -10.861 -1.268 10.056 1.00 0.89 H new ATOM 0 HG2 LYS A 95 -10.406 -0.894 7.082 1.00 1.52 H new ATOM 0 HG3 LYS A 95 -12.013 -0.973 7.776 1.00 1.52 H new ATOM 0 HD2 LYS A 95 -11.191 0.920 9.390 1.00 1.21 H new ATOM 0 HD3 LYS A 95 -9.863 1.118 8.263 1.00 1.21 H new ATOM 0 HE2 LYS A 95 -12.837 1.375 7.614 1.00 1.36 H new ATOM 0 HE3 LYS A 95 -11.682 2.689 7.717 1.00 1.36 H new ATOM 0 HZ1 LYS A 95 -11.848 2.267 5.471 1.00 1.67 H new ATOM 0 HZ2 LYS A 95 -10.436 1.425 5.894 1.00 1.67 H new ATOM 0 HZ3 LYS A 95 -11.892 0.581 5.666 1.00 1.67 H new ATOM 1529 N ALA A 96 -8.484 -3.730 10.659 1.00 0.80 N ATOM 1530 CA ALA A 96 -8.178 -4.516 11.862 1.00 0.88 C ATOM 1531 C ALA A 96 -6.791 -4.210 12.449 1.00 1.07 C ATOM 1532 O ALA A 96 -6.616 -4.291 13.664 1.00 1.25 O ATOM 1533 CB ALA A 96 -8.306 -6.007 11.526 1.00 0.92 C ATOM 0 H ALA A 96 -8.587 -4.309 9.825 1.00 0.80 H new ATOM 0 HA ALA A 96 -8.896 -4.236 12.633 1.00 0.88 H new ATOM 0 HB1 ALA A 96 -8.081 -6.600 12.412 1.00 0.92 H new ATOM 0 HB2 ALA A 96 -9.323 -6.220 11.196 1.00 0.92 H new ATOM 0 HB3 ALA A 96 -7.605 -6.262 10.731 1.00 0.92 H new ATOM 1539 N PHE A 97 -5.832 -3.807 11.609 1.00 0.96 N ATOM 1540 CA PHE A 97 -4.592 -3.196 12.071 1.00 0.98 C ATOM 1541 C PHE A 97 -4.792 -1.784 12.599 1.00 3.94 C ATOM 1542 O PHE A 97 -4.305 -1.473 13.687 1.00 6.24 O ATOM 1543 CB PHE A 97 -3.558 -3.238 10.942 1.00 1.00 C ATOM 1544 CG PHE A 97 -2.851 -4.557 11.011 1.00 1.14 C ATOM 1545 CD1 PHE A 97 -1.896 -4.746 12.025 1.00 1.88 C ATOM 1546 CD2 PHE A 97 -3.278 -5.632 10.218 1.00 3.21 C ATOM 1547 CE1 PHE A 97 -1.369 -6.029 12.247 1.00 1.89 C ATOM 1548 CE2 PHE A 97 -2.726 -6.907 10.424 1.00 6.44 C ATOM 1549 CZ PHE A 97 -1.774 -7.105 11.439 1.00 2.15 C ATOM 0 H PHE A 97 -5.898 -3.897 10.595 1.00 0.96 H new ATOM 0 HA PHE A 97 -4.224 -3.774 12.919 1.00 0.98 H new ATOM 0 HB2 PHE A 97 -4.045 -3.117 9.974 1.00 1.00 H new ATOM 0 HB3 PHE A 97 -2.847 -2.418 11.046 1.00 1.00 H new ATOM 0 HD1 PHE A 97 -1.570 -3.912 12.628 1.00 1.88 H new ATOM 0 HD2 PHE A 97 -4.026 -5.480 9.454 1.00 3.21 H new ATOM 0 HE1 PHE A 97 -0.652 -6.189 13.039 1.00 1.89 H new ATOM 0 HE2 PHE A 97 -3.033 -7.735 9.803 1.00 6.44 H new ATOM 0 HZ PHE A 97 -1.353 -8.087 11.598 1.00 2.15 H new ATOM 1559 N HIS A 98 -5.489 -0.932 11.843 1.00 0.98 N ATOM 1560 CA HIS A 98 -5.819 0.427 12.229 1.00 0.94 C ATOM 1561 C HIS A 98 -6.857 1.074 11.287 1.00 1.30 C ATOM 1562 O HIS A 98 -6.862 0.744 10.097 1.00 1.47 O ATOM 1563 CB HIS A 98 -4.524 1.247 12.306 1.00 0.97 C ATOM 1564 CG HIS A 98 -3.917 1.797 11.041 1.00 2.17 C ATOM 1565 ND1 HIS A 98 -4.125 1.377 9.750 1.00 3.39 N ATOM 1566 CD2 HIS A 98 -2.959 2.770 10.994 1.00 3.37 C ATOM 1567 CE1 HIS A 98 -3.304 2.072 8.950 1.00 4.85 C ATOM 1568 NE2 HIS A 98 -2.569 2.935 9.667 1.00 4.90 N ATOM 0 H HIS A 98 -5.846 -1.183 10.921 1.00 0.98 H new ATOM 0 HA HIS A 98 -6.293 0.407 13.210 1.00 0.94 H new ATOM 0 HB2 HIS A 98 -4.710 2.090 12.972 1.00 0.97 H new ATOM 0 HB3 HIS A 98 -3.770 0.622 12.785 1.00 0.97 H new ATOM 0 HD1 HIS A 98 -4.788 0.661 9.452 1.00 3.39 H new ATOM 0 HD2 HIS A 98 -2.571 3.317 11.840 1.00 3.37 H new ATOM 0 HE1 HIS A 98 -3.243 1.954 7.878 1.00 4.85 H new ATOM 1577 N PRO A 99 -7.677 2.035 11.760 1.00 1.06 N ATOM 1578 CA PRO A 99 -8.720 2.654 10.947 1.00 1.30 C ATOM 1579 C PRO A 99 -8.184 3.540 9.813 1.00 1.63 C ATOM 1580 O PRO A 99 -8.926 3.795 8.869 1.00 1.66 O ATOM 1581 CB PRO A 99 -9.589 3.448 11.928 1.00 1.45 C ATOM 1582 CG PRO A 99 -8.619 3.796 13.056 1.00 1.37 C ATOM 1583 CD PRO A 99 -7.730 2.556 13.122 1.00 1.12 C ATOM 0 HA PRO A 99 -9.288 1.886 10.422 1.00 1.30 H new ATOM 0 HB2 PRO A 99 -10.004 4.343 11.464 1.00 1.45 H new ATOM 0 HB3 PRO A 99 -10.430 2.857 12.289 1.00 1.45 H new ATOM 0 HG2 PRO A 99 -8.045 4.696 12.834 1.00 1.37 H new ATOM 0 HG3 PRO A 99 -9.139 3.973 13.998 1.00 1.37 H new ATOM 0 HD2 PRO A 99 -6.733 2.808 13.484 1.00 1.12 H new ATOM 0 HD3 PRO A 99 -8.141 1.816 13.809 1.00 1.12 H new ATOM 1591 N SER A 100 -6.918 3.974 9.853 1.00 1.41 N ATOM 1592 CA SER A 100 -6.288 4.771 8.782 1.00 1.63 C ATOM 1593 C SER A 100 -5.924 3.953 7.525 1.00 1.68 C ATOM 1594 O SER A 100 -5.327 4.489 6.582 1.00 1.85 O ATOM 1595 CB SER A 100 -5.058 5.514 9.314 1.00 1.91 C ATOM 1596 OG SER A 100 -5.365 6.175 10.527 1.00 2.37 O ATOM 0 H SER A 100 -6.293 3.782 10.636 1.00 1.41 H new ATOM 0 HA SER A 100 -7.042 5.492 8.464 1.00 1.63 H new ATOM 0 HB2 SER A 100 -4.241 4.810 9.473 1.00 1.91 H new ATOM 0 HB3 SER A 100 -4.715 6.238 8.575 1.00 1.91 H new ATOM 0 HG SER A 100 -4.634 6.784 10.762 1.00 2.37 H new ATOM 1602 N PHE A 101 -6.330 2.673 7.495 1.00 1.30 N ATOM 1603 CA PHE A 101 -6.270 1.824 6.313 1.00 1.12 C ATOM 1604 C PHE A 101 -7.589 1.849 5.525 1.00 4.39 C ATOM 1605 O PHE A 101 -8.684 1.899 6.088 1.00 7.11 O ATOM 1606 CB PHE A 101 -5.985 0.370 6.725 1.00 1.09 C ATOM 1607 CG PHE A 101 -4.652 -0.191 6.277 1.00 1.93 C ATOM 1608 CD1 PHE A 101 -4.289 -0.191 4.917 1.00 4.00 C ATOM 1609 CD2 PHE A 101 -3.803 -0.794 7.221 1.00 2.74 C ATOM 1610 CE1 PHE A 101 -3.059 -0.738 4.516 1.00 5.90 C ATOM 1611 CE2 PHE A 101 -2.557 -1.304 6.829 1.00 2.98 C ATOM 1612 CZ PHE A 101 -2.181 -1.269 5.474 1.00 3.55 C ATOM 0 H PHE A 101 -6.715 2.199 8.312 1.00 1.30 H new ATOM 0 HA PHE A 101 -5.472 2.211 5.680 1.00 1.12 H new ATOM 0 HB2 PHE A 101 -6.040 0.302 7.812 1.00 1.09 H new ATOM 0 HB3 PHE A 101 -6.777 -0.263 6.326 1.00 1.09 H new ATOM 0 HD1 PHE A 101 -4.957 0.230 4.181 1.00 4.00 H new ATOM 0 HD2 PHE A 101 -4.112 -0.865 8.253 1.00 2.74 H new ATOM 0 HE1 PHE A 101 -2.789 -0.750 3.470 1.00 5.90 H new ATOM 0 HE2 PHE A 101 -1.888 -1.723 7.566 1.00 2.98 H new ATOM 0 HZ PHE A 101 -1.217 -1.651 5.171 1.00 3.55 H new ATOM 1622 N LEU A 102 -7.464 1.709 4.209 1.00 0.81 N ATOM 1623 CA LEU A 102 -8.532 1.354 3.274 1.00 0.72 C ATOM 1624 C LEU A 102 -8.073 0.161 2.423 1.00 1.02 C ATOM 1625 O LEU A 102 -6.953 0.174 1.914 1.00 1.27 O ATOM 1626 CB LEU A 102 -8.871 2.609 2.450 1.00 0.68 C ATOM 1627 CG LEU A 102 -9.709 2.415 1.169 1.00 1.25 C ATOM 1628 CD1 LEU A 102 -11.091 1.804 1.437 1.00 1.16 C ATOM 1629 CD2 LEU A 102 -9.896 3.781 0.494 1.00 2.14 C ATOM 0 H LEU A 102 -6.569 1.847 3.739 1.00 0.81 H new ATOM 0 HA LEU A 102 -9.443 1.037 3.782 1.00 0.72 H new ATOM 0 HB2 LEU A 102 -9.404 3.304 3.099 1.00 0.68 H new ATOM 0 HB3 LEU A 102 -7.934 3.090 2.169 1.00 0.68 H new ATOM 0 HG LEU A 102 -9.167 1.717 0.530 1.00 1.25 H new ATOM 0 HD11 LEU A 102 -11.629 1.694 0.495 1.00 1.16 H new ATOM 0 HD12 LEU A 102 -10.972 0.826 1.903 1.00 1.16 H new ATOM 0 HD13 LEU A 102 -11.655 2.457 2.103 1.00 1.16 H new ATOM 0 HD21 LEU A 102 -10.487 3.660 -0.414 1.00 2.14 H new ATOM 0 HD22 LEU A 102 -10.413 4.456 1.176 1.00 2.14 H new ATOM 0 HD23 LEU A 102 -8.921 4.198 0.240 1.00 2.14 H new ATOM 1641 N GLY A 103 -8.936 -0.847 2.268 1.00 0.69 N ATOM 1642 CA GLY A 103 -8.713 -2.011 1.405 1.00 0.69 C ATOM 1643 C GLY A 103 -9.524 -1.939 0.110 1.00 0.72 C ATOM 1644 O GLY A 103 -10.719 -1.645 0.135 1.00 0.81 O ATOM 0 H GLY A 103 -9.833 -0.877 2.752 1.00 0.69 H new ATOM 0 HA2 GLY A 103 -7.653 -2.083 1.163 1.00 0.69 H new ATOM 0 HA3 GLY A 103 -8.979 -2.918 1.947 1.00 0.69 H new ATOM 1648 N LEU A 104 -8.865 -2.215 -1.019 1.00 0.62 N ATOM 1649 CA LEU A 104 -9.416 -2.098 -2.372 1.00 0.60 C ATOM 1650 C LEU A 104 -9.352 -3.437 -3.129 1.00 1.12 C ATOM 1651 O LEU A 104 -8.331 -4.119 -3.134 1.00 1.39 O ATOM 1652 CB LEU A 104 -8.636 -1.005 -3.134 1.00 0.71 C ATOM 1653 CG LEU A 104 -8.652 0.401 -2.497 1.00 0.77 C ATOM 1654 CD1 LEU A 104 -7.780 1.359 -3.322 1.00 1.08 C ATOM 1655 CD2 LEU A 104 -10.069 0.983 -2.406 1.00 1.11 C ATOM 0 H LEU A 104 -7.897 -2.538 -1.016 1.00 0.62 H new ATOM 0 HA LEU A 104 -10.468 -1.822 -2.301 1.00 0.60 H new ATOM 0 HB2 LEU A 104 -7.599 -1.327 -3.232 1.00 0.71 H new ATOM 0 HB3 LEU A 104 -9.043 -0.931 -4.142 1.00 0.71 H new ATOM 0 HG LEU A 104 -8.260 0.296 -1.485 1.00 0.77 H new ATOM 0 HD11 LEU A 104 -7.796 2.349 -2.867 1.00 1.08 H new ATOM 0 HD12 LEU A 104 -6.755 0.988 -3.347 1.00 1.08 H new ATOM 0 HD13 LEU A 104 -8.169 1.421 -4.338 1.00 1.08 H new ATOM 0 HD21 LEU A 104 -10.027 1.973 -1.951 1.00 1.11 H new ATOM 0 HD22 LEU A 104 -10.495 1.061 -3.406 1.00 1.11 H new ATOM 0 HD23 LEU A 104 -10.692 0.329 -1.796 1.00 1.11 H new ATOM 1667 N SER A 105 -10.446 -3.812 -3.789 1.00 0.55 N ATOM 1668 CA SER A 105 -10.479 -4.833 -4.845 1.00 0.60 C ATOM 1669 C SER A 105 -11.552 -4.469 -5.879 1.00 0.92 C ATOM 1670 O SER A 105 -12.632 -4.025 -5.492 1.00 1.15 O ATOM 1671 CB SER A 105 -10.777 -6.221 -4.281 1.00 0.73 C ATOM 1672 OG SER A 105 -10.620 -7.193 -5.300 1.00 1.11 O ATOM 0 H SER A 105 -11.362 -3.405 -3.602 1.00 0.55 H new ATOM 0 HA SER A 105 -9.495 -4.860 -5.312 1.00 0.60 H new ATOM 0 HB2 SER A 105 -10.106 -6.439 -3.450 1.00 0.73 H new ATOM 0 HB3 SER A 105 -11.793 -6.254 -3.887 1.00 0.73 H new ATOM 0 HG SER A 105 -11.172 -7.976 -5.093 1.00 1.11 H new ATOM 1678 N GLY A 106 -11.294 -4.670 -7.175 1.00 0.95 N ATOM 1679 CA GLY A 106 -12.239 -4.349 -8.252 1.00 1.14 C ATOM 1680 C GLY A 106 -12.046 -5.219 -9.492 1.00 1.19 C ATOM 1681 O GLY A 106 -11.514 -6.320 -9.414 1.00 1.17 O ATOM 0 H GLY A 106 -10.415 -5.064 -7.510 1.00 0.95 H new ATOM 0 HA2 GLY A 106 -13.257 -4.472 -7.883 1.00 1.14 H new ATOM 0 HA3 GLY A 106 -12.124 -3.301 -8.528 1.00 1.14 H new ATOM 1685 N SER A 107 -12.499 -4.741 -10.647 1.00 1.09 N ATOM 1686 CA SER A 107 -12.478 -5.517 -11.893 1.00 0.98 C ATOM 1687 C SER A 107 -11.047 -5.900 -12.356 1.00 1.10 C ATOM 1688 O SER A 107 -10.079 -5.204 -12.015 1.00 1.15 O ATOM 1689 CB SER A 107 -13.264 -4.747 -12.968 1.00 1.08 C ATOM 1690 OG SER A 107 -12.428 -3.920 -13.746 1.00 2.09 O ATOM 0 H SER A 107 -12.892 -3.805 -10.751 1.00 1.09 H new ATOM 0 HA SER A 107 -12.964 -6.476 -11.711 1.00 0.98 H new ATOM 0 HB2 SER A 107 -13.778 -5.455 -13.617 1.00 1.08 H new ATOM 0 HB3 SER A 107 -14.031 -4.138 -12.489 1.00 1.08 H new ATOM 0 HG SER A 107 -12.236 -4.360 -14.600 1.00 2.09 H new ATOM 1696 N PRO A 108 -10.873 -6.973 -13.157 1.00 1.15 N ATOM 1697 CA PRO A 108 -9.556 -7.412 -13.617 1.00 1.35 C ATOM 1698 C PRO A 108 -8.861 -6.381 -14.518 1.00 1.54 C ATOM 1699 O PRO A 108 -7.635 -6.334 -14.528 1.00 1.55 O ATOM 1700 CB PRO A 108 -9.789 -8.748 -14.330 1.00 1.63 C ATOM 1701 CG PRO A 108 -11.245 -8.664 -14.785 1.00 1.53 C ATOM 1702 CD PRO A 108 -11.903 -7.871 -13.660 1.00 1.28 C ATOM 0 HA PRO A 108 -8.872 -7.526 -12.776 1.00 1.35 H new ATOM 0 HB2 PRO A 108 -9.112 -8.875 -15.175 1.00 1.63 H new ATOM 0 HB3 PRO A 108 -9.626 -9.593 -13.661 1.00 1.63 H new ATOM 0 HG2 PRO A 108 -11.340 -8.159 -15.746 1.00 1.53 H new ATOM 0 HG3 PRO A 108 -11.691 -9.652 -14.899 1.00 1.53 H new ATOM 0 HD2 PRO A 108 -12.764 -7.313 -14.026 1.00 1.28 H new ATOM 0 HD3 PRO A 108 -12.264 -8.533 -12.873 1.00 1.28 H new ATOM 1710 N GLU A 109 -9.605 -5.526 -15.224 1.00 1.19 N ATOM 1711 CA GLU A 109 -9.074 -4.366 -15.945 1.00 1.16 C ATOM 1712 C GLU A 109 -8.591 -3.295 -14.963 1.00 1.16 C ATOM 1713 O GLU A 109 -7.469 -2.816 -15.097 1.00 1.38 O ATOM 1714 CB GLU A 109 -10.102 -3.740 -16.909 1.00 1.30 C ATOM 1715 CG GLU A 109 -11.000 -4.721 -17.679 1.00 1.47 C ATOM 1716 CD GLU A 109 -12.309 -4.961 -16.926 1.00 2.40 C ATOM 1717 OE1 GLU A 109 -12.246 -5.471 -15.784 1.00 2.89 O ATOM 1718 OE2 GLU A 109 -13.370 -4.560 -17.433 1.00 3.83 O ATOM 0 H GLU A 109 -10.617 -5.623 -15.312 1.00 1.19 H new ATOM 0 HA GLU A 109 -8.238 -4.734 -16.540 1.00 1.16 H new ATOM 0 HB2 GLU A 109 -10.742 -3.068 -16.337 1.00 1.30 H new ATOM 0 HB3 GLU A 109 -9.564 -3.129 -17.633 1.00 1.30 H new ATOM 0 HG2 GLU A 109 -11.213 -4.324 -18.672 1.00 1.47 H new ATOM 0 HG3 GLU A 109 -10.477 -5.667 -17.820 1.00 1.47 H new ATOM 1725 N ALA A 110 -9.377 -2.968 -13.928 1.00 0.86 N ATOM 1726 CA ALA A 110 -8.976 -2.022 -12.882 1.00 0.75 C ATOM 1727 C ALA A 110 -7.711 -2.499 -12.141 1.00 1.04 C ATOM 1728 O ALA A 110 -6.750 -1.740 -11.994 1.00 1.07 O ATOM 1729 CB ALA A 110 -10.169 -1.820 -11.937 1.00 0.73 C ATOM 0 H ALA A 110 -10.311 -3.354 -13.794 1.00 0.86 H new ATOM 0 HA ALA A 110 -8.708 -1.064 -13.328 1.00 0.75 H new ATOM 0 HB1 ALA A 110 -9.894 -1.119 -11.149 1.00 0.73 H new ATOM 0 HB2 ALA A 110 -11.014 -1.422 -12.498 1.00 0.73 H new ATOM 0 HB3 ALA A 110 -10.446 -2.776 -11.492 1.00 0.73 H new ATOM 1735 N VAL A 111 -7.673 -3.780 -11.767 1.00 0.98 N ATOM 1736 CA VAL A 111 -6.485 -4.418 -11.180 1.00 1.13 C ATOM 1737 C VAL A 111 -5.309 -4.407 -12.173 1.00 1.50 C ATOM 1738 O VAL A 111 -4.200 -4.075 -11.766 1.00 1.42 O ATOM 1739 CB VAL A 111 -6.807 -5.842 -10.667 1.00 1.22 C ATOM 1740 CG1 VAL A 111 -5.555 -6.634 -10.250 1.00 1.79 C ATOM 1741 CG2 VAL A 111 -7.757 -5.761 -9.458 1.00 1.22 C ATOM 0 H VAL A 111 -8.469 -4.411 -11.862 1.00 0.98 H new ATOM 0 HA VAL A 111 -6.178 -3.834 -10.312 1.00 1.13 H new ATOM 0 HB VAL A 111 -7.272 -6.369 -11.500 1.00 1.22 H new ATOM 0 HG11 VAL A 111 -5.850 -7.623 -9.900 1.00 1.79 H new ATOM 0 HG12 VAL A 111 -4.887 -6.736 -11.105 1.00 1.79 H new ATOM 0 HG13 VAL A 111 -5.040 -6.105 -9.449 1.00 1.79 H new ATOM 0 HG21 VAL A 111 -7.979 -6.767 -9.102 1.00 1.22 H new ATOM 0 HG22 VAL A 111 -7.282 -5.190 -8.660 1.00 1.22 H new ATOM 0 HG23 VAL A 111 -8.683 -5.268 -9.755 1.00 1.22 H new ATOM 1751 N ARG A 112 -5.537 -4.681 -13.471 1.00 1.19 N ATOM 1752 CA ARG A 112 -4.502 -4.599 -14.512 1.00 1.27 C ATOM 1753 C ARG A 112 -3.923 -3.181 -14.595 1.00 1.22 C ATOM 1754 O ARG A 112 -2.702 -3.047 -14.531 1.00 1.26 O ATOM 1755 CB ARG A 112 -5.064 -5.037 -15.883 1.00 1.40 C ATOM 1756 CG ARG A 112 -4.033 -5.009 -17.026 1.00 2.07 C ATOM 1757 CD ARG A 112 -3.145 -6.257 -17.075 1.00 2.23 C ATOM 1758 NE ARG A 112 -3.865 -7.366 -17.729 1.00 2.94 N ATOM 1759 CZ ARG A 112 -3.571 -8.661 -17.703 1.00 4.05 C ATOM 1760 NH1 ARG A 112 -2.594 -9.146 -16.961 1.00 4.64 N ATOM 1761 NH2 ARG A 112 -4.284 -9.480 -18.447 1.00 5.30 N ATOM 0 H ARG A 112 -6.450 -4.967 -13.826 1.00 1.19 H new ATOM 0 HA ARG A 112 -3.697 -5.282 -14.240 1.00 1.27 H new ATOM 0 HB2 ARG A 112 -5.463 -6.047 -15.793 1.00 1.40 H new ATOM 0 HB3 ARG A 112 -5.899 -4.387 -16.146 1.00 1.40 H new ATOM 0 HG2 ARG A 112 -4.558 -4.908 -17.976 1.00 2.07 H new ATOM 0 HG3 ARG A 112 -3.402 -4.127 -16.915 1.00 2.07 H new ATOM 0 HD2 ARG A 112 -2.227 -6.038 -17.620 1.00 2.23 H new ATOM 0 HD3 ARG A 112 -2.855 -6.547 -16.065 1.00 2.23 H new ATOM 0 HE ARG A 112 -4.691 -7.106 -18.268 1.00 2.94 H new ATOM 0 HH11 ARG A 112 -2.035 -8.520 -16.381 1.00 4.64 H new ATOM 0 HH12 ARG A 112 -2.398 -10.147 -16.967 1.00 4.64 H new ATOM 0 HH21 ARG A 112 -5.041 -9.115 -19.025 1.00 5.30 H new ATOM 0 HH22 ARG A 112 -4.079 -10.479 -18.446 1.00 5.30 H new ATOM 1775 N GLU A 113 -4.775 -2.162 -14.707 1.00 1.05 N ATOM 1776 CA GLU A 113 -4.402 -0.754 -14.846 1.00 1.00 C ATOM 1777 C GLU A 113 -3.542 -0.281 -13.677 1.00 1.18 C ATOM 1778 O GLU A 113 -2.402 0.149 -13.867 1.00 1.19 O ATOM 1779 CB GLU A 113 -5.656 0.113 -14.967 1.00 1.02 C ATOM 1780 CG GLU A 113 -6.228 0.024 -16.380 1.00 1.34 C ATOM 1781 CD GLU A 113 -5.435 0.888 -17.356 1.00 2.05 C ATOM 1782 OE1 GLU A 113 -4.379 0.394 -17.823 1.00 2.88 O ATOM 1783 OE2 GLU A 113 -5.876 2.023 -17.615 1.00 2.87 O ATOM 0 H GLU A 113 -5.786 -2.301 -14.703 1.00 1.05 H new ATOM 0 HA GLU A 113 -3.808 -0.655 -15.754 1.00 1.00 H new ATOM 0 HB2 GLU A 113 -6.403 -0.214 -14.244 1.00 1.02 H new ATOM 0 HB3 GLU A 113 -5.414 1.149 -14.730 1.00 1.02 H new ATOM 0 HG2 GLU A 113 -6.214 -1.013 -16.715 1.00 1.34 H new ATOM 0 HG3 GLU A 113 -7.270 0.343 -16.373 1.00 1.34 H new ATOM 1790 N ALA A 114 -4.062 -0.425 -12.453 1.00 0.93 N ATOM 1791 CA ALA A 114 -3.352 -0.050 -11.237 1.00 0.90 C ATOM 1792 C ALA A 114 -2.054 -0.849 -11.049 1.00 1.05 C ATOM 1793 O ALA A 114 -1.064 -0.287 -10.584 1.00 1.00 O ATOM 1794 CB ALA A 114 -4.308 -0.232 -10.056 1.00 0.98 C ATOM 0 H ALA A 114 -4.992 -0.807 -12.283 1.00 0.93 H new ATOM 0 HA ALA A 114 -3.042 0.993 -11.306 1.00 0.90 H new ATOM 0 HB1 ALA A 114 -3.800 0.042 -9.131 1.00 0.98 H new ATOM 0 HB2 ALA A 114 -5.181 0.405 -10.193 1.00 0.98 H new ATOM 0 HB3 ALA A 114 -4.624 -1.274 -10.001 1.00 0.98 H new ATOM 1800 N ALA A 115 -2.016 -2.122 -11.455 1.00 0.92 N ATOM 1801 CA ALA A 115 -0.804 -2.925 -11.401 1.00 0.90 C ATOM 1802 C ALA A 115 0.272 -2.420 -12.374 1.00 0.97 C ATOM 1803 O ALA A 115 1.397 -2.121 -11.963 1.00 0.99 O ATOM 1804 CB ALA A 115 -1.163 -4.392 -11.682 1.00 1.00 C ATOM 0 H ALA A 115 -2.825 -2.618 -11.828 1.00 0.92 H new ATOM 0 HA ALA A 115 -0.376 -2.838 -10.403 1.00 0.90 H new ATOM 0 HB1 ALA A 115 -0.260 -5.001 -11.644 1.00 1.00 H new ATOM 0 HB2 ALA A 115 -1.870 -4.744 -10.931 1.00 1.00 H new ATOM 0 HB3 ALA A 115 -1.614 -4.473 -12.671 1.00 1.00 H new ATOM 1810 N GLN A 116 -0.054 -2.345 -13.667 1.00 0.88 N ATOM 1811 CA GLN A 116 0.910 -2.027 -14.722 1.00 0.92 C ATOM 1812 C GLN A 116 1.453 -0.604 -14.631 1.00 1.26 C ATOM 1813 O GLN A 116 2.645 -0.382 -14.836 1.00 1.30 O ATOM 1814 CB GLN A 116 0.331 -2.405 -16.082 1.00 1.21 C ATOM 1815 CG GLN A 116 -0.791 -1.529 -16.636 1.00 1.88 C ATOM 1816 CD GLN A 116 -1.536 -2.207 -17.800 1.00 2.71 C ATOM 1817 OE1 GLN A 116 -1.220 -3.317 -18.216 1.00 2.76 O ATOM 1818 NE2 GLN A 116 -2.573 -1.617 -18.352 1.00 4.06 N ATOM 0 H GLN A 116 -1.000 -2.504 -14.013 1.00 0.88 H new ATOM 0 HA GLN A 116 1.801 -2.638 -14.577 1.00 0.92 H new ATOM 0 HB2 GLN A 116 1.146 -2.407 -16.806 1.00 1.21 H new ATOM 0 HB3 GLN A 116 -0.041 -3.428 -16.017 1.00 1.21 H new ATOM 0 HG2 GLN A 116 -1.498 -1.299 -15.839 1.00 1.88 H new ATOM 0 HG3 GLN A 116 -0.375 -0.581 -16.976 1.00 1.88 H new ATOM 0 HE21 GLN A 116 -2.865 -0.694 -18.032 1.00 4.06 H new ATOM 0 HE22 GLN A 116 -3.086 -2.083 -19.101 1.00 4.06 H new ATOM 1827 N THR A 117 0.587 0.321 -14.221 1.00 1.06 N ATOM 1828 CA THR A 117 0.924 1.728 -13.937 1.00 1.02 C ATOM 1829 C THR A 117 1.961 1.866 -12.824 1.00 1.19 C ATOM 1830 O THR A 117 2.929 2.617 -12.977 1.00 1.09 O ATOM 1831 CB THR A 117 -0.354 2.502 -13.590 1.00 1.15 C ATOM 1832 OG1 THR A 117 -1.183 2.461 -14.718 1.00 1.50 O ATOM 1833 CG2 THR A 117 -0.113 3.977 -13.271 1.00 1.24 C ATOM 0 H THR A 117 -0.400 0.113 -14.071 1.00 1.06 H new ATOM 0 HA THR A 117 1.375 2.151 -14.835 1.00 1.02 H new ATOM 0 HB THR A 117 -0.784 2.037 -12.703 1.00 1.15 H new ATOM 0 HG1 THR A 117 -1.776 1.683 -14.660 1.00 1.50 H new ATOM 0 HG21 THR A 117 -1.062 4.458 -13.036 1.00 1.24 H new ATOM 0 HG22 THR A 117 0.558 4.059 -12.416 1.00 1.24 H new ATOM 0 HG23 THR A 117 0.338 4.467 -14.134 1.00 1.24 H new ATOM 1841 N PHE A 118 1.738 1.219 -11.675 1.00 0.90 N ATOM 1842 CA PHE A 118 2.632 1.247 -10.512 1.00 0.92 C ATOM 1843 C PHE A 118 3.902 0.387 -10.654 1.00 4.38 C ATOM 1844 O PHE A 118 4.918 0.733 -10.057 1.00 6.56 O ATOM 1845 CB PHE A 118 1.830 0.909 -9.246 1.00 1.08 C ATOM 1846 CG PHE A 118 1.046 2.096 -8.706 1.00 1.26 C ATOM 1847 CD1 PHE A 118 -0.045 2.636 -9.417 1.00 2.67 C ATOM 1848 CD2 PHE A 118 1.457 2.710 -7.509 1.00 3.25 C ATOM 1849 CE1 PHE A 118 -0.699 3.790 -8.948 1.00 2.53 C ATOM 1850 CE2 PHE A 118 0.792 3.850 -7.027 1.00 6.06 C ATOM 1851 CZ PHE A 118 -0.282 4.395 -7.750 1.00 2.13 C ATOM 0 H PHE A 118 0.908 0.646 -11.524 1.00 0.90 H new ATOM 0 HA PHE A 118 3.023 2.262 -10.435 1.00 0.92 H new ATOM 0 HB2 PHE A 118 1.140 0.094 -9.466 1.00 1.08 H new ATOM 0 HB3 PHE A 118 2.512 0.550 -8.475 1.00 1.08 H new ATOM 0 HD1 PHE A 118 -0.381 2.161 -10.327 1.00 2.67 H new ATOM 0 HD2 PHE A 118 2.290 2.302 -6.956 1.00 3.25 H new ATOM 0 HE1 PHE A 118 -1.521 4.211 -9.508 1.00 2.53 H new ATOM 0 HE2 PHE A 118 1.107 4.307 -6.101 1.00 6.06 H new ATOM 0 HZ PHE A 118 -0.787 5.278 -7.386 1.00 2.13 H new ATOM 1861 N GLY A 119 3.857 -0.697 -11.444 1.00 0.68 N ATOM 1862 CA GLY A 119 4.965 -1.657 -11.640 1.00 0.70 C ATOM 1863 C GLY A 119 4.781 -3.012 -10.948 1.00 0.77 C ATOM 1864 O GLY A 119 5.765 -3.675 -10.634 1.00 0.95 O ATOM 0 H GLY A 119 3.026 -0.941 -11.982 1.00 0.68 H new ATOM 0 HA2 GLY A 119 5.093 -1.827 -12.709 1.00 0.70 H new ATOM 0 HA3 GLY A 119 5.887 -1.203 -11.277 1.00 0.70 H new ATOM 1868 N VAL A 120 3.538 -3.424 -10.706 1.00 0.58 N ATOM 1869 CA VAL A 120 3.159 -4.645 -9.974 1.00 0.55 C ATOM 1870 C VAL A 120 3.177 -5.872 -10.894 1.00 0.79 C ATOM 1871 O VAL A 120 2.716 -5.831 -12.036 1.00 1.24 O ATOM 1872 CB VAL A 120 1.750 -4.483 -9.369 1.00 1.01 C ATOM 1873 CG1 VAL A 120 1.114 -5.763 -8.798 1.00 1.20 C ATOM 1874 CG2 VAL A 120 1.719 -3.370 -8.312 1.00 1.63 C ATOM 0 H VAL A 120 2.726 -2.896 -11.027 1.00 0.58 H new ATOM 0 HA VAL A 120 3.888 -4.796 -9.178 1.00 0.55 H new ATOM 0 HB VAL A 120 1.133 -4.211 -10.226 1.00 1.01 H new ATOM 0 HG11 VAL A 120 0.126 -5.532 -8.400 1.00 1.20 H new ATOM 0 HG12 VAL A 120 1.021 -6.507 -9.589 1.00 1.20 H new ATOM 0 HG13 VAL A 120 1.744 -6.158 -8.000 1.00 1.20 H new ATOM 0 HG21 VAL A 120 0.711 -3.282 -7.906 1.00 1.63 H new ATOM 0 HG22 VAL A 120 2.415 -3.612 -7.508 1.00 1.63 H new ATOM 0 HG23 VAL A 120 2.009 -2.425 -8.770 1.00 1.63 H new ATOM 1884 N PHE A 121 3.663 -6.981 -10.334 1.00 0.76 N ATOM 1885 CA PHE A 121 3.731 -8.306 -10.945 1.00 1.12 C ATOM 1886 C PHE A 121 3.182 -9.380 -9.988 1.00 3.76 C ATOM 1887 O PHE A 121 3.373 -9.309 -8.771 1.00 5.14 O ATOM 1888 CB PHE A 121 5.187 -8.588 -11.355 1.00 1.54 C ATOM 1889 CG PHE A 121 6.224 -8.340 -10.270 1.00 1.73 C ATOM 1890 CD1 PHE A 121 6.782 -7.053 -10.107 1.00 2.45 C ATOM 1891 CD2 PHE A 121 6.625 -9.384 -9.415 1.00 4.33 C ATOM 1892 CE1 PHE A 121 7.733 -6.819 -9.099 1.00 2.49 C ATOM 1893 CE2 PHE A 121 7.584 -9.150 -8.413 1.00 5.47 C ATOM 1894 CZ PHE A 121 8.141 -7.868 -8.257 1.00 3.05 C ATOM 0 H PHE A 121 4.041 -6.976 -9.387 1.00 0.76 H new ATOM 0 HA PHE A 121 3.105 -8.336 -11.837 1.00 1.12 H new ATOM 0 HB2 PHE A 121 5.262 -9.627 -11.677 1.00 1.54 H new ATOM 0 HB3 PHE A 121 5.431 -7.968 -12.218 1.00 1.54 H new ATOM 0 HD1 PHE A 121 6.477 -6.247 -10.758 1.00 2.45 H new ATOM 0 HD2 PHE A 121 6.195 -10.368 -9.529 1.00 4.33 H new ATOM 0 HE1 PHE A 121 8.151 -5.831 -8.971 1.00 2.49 H new ATOM 0 HE2 PHE A 121 7.893 -9.955 -7.763 1.00 5.47 H new ATOM 0 HZ PHE A 121 8.881 -7.690 -7.491 1.00 3.05 H new ATOM 1904 N TYR A 122 2.449 -10.348 -10.542 1.00 1.30 N ATOM 1905 CA TYR A 122 1.869 -11.487 -9.820 1.00 1.33 C ATOM 1906 C TYR A 122 1.780 -12.744 -10.699 1.00 1.87 C ATOM 1907 O TYR A 122 1.663 -12.622 -11.922 1.00 2.08 O ATOM 1908 CB TYR A 122 0.504 -11.079 -9.248 1.00 1.18 C ATOM 1909 CG TYR A 122 -0.602 -10.772 -10.248 1.00 1.30 C ATOM 1910 CD1 TYR A 122 -0.559 -9.593 -11.021 1.00 1.98 C ATOM 1911 CD2 TYR A 122 -1.717 -11.625 -10.350 1.00 2.31 C ATOM 1912 CE1 TYR A 122 -1.605 -9.286 -11.912 1.00 2.16 C ATOM 1913 CE2 TYR A 122 -2.782 -11.312 -11.218 1.00 2.58 C ATOM 1914 CZ TYR A 122 -2.724 -10.140 -12.007 1.00 1.97 C ATOM 1915 OH TYR A 122 -3.740 -9.828 -12.859 1.00 2.40 O ATOM 0 H TYR A 122 2.234 -10.363 -11.539 1.00 1.30 H new ATOM 0 HA TYR A 122 2.528 -11.754 -8.994 1.00 1.33 H new ATOM 0 HB2 TYR A 122 0.157 -11.880 -8.595 1.00 1.18 H new ATOM 0 HB3 TYR A 122 0.649 -10.198 -8.622 1.00 1.18 H new ATOM 0 HD1 TYR A 122 0.282 -8.921 -10.929 1.00 1.98 H new ATOM 0 HD2 TYR A 122 -1.757 -12.527 -9.758 1.00 2.31 H new ATOM 0 HE1 TYR A 122 -1.551 -8.397 -12.523 1.00 2.16 H new ATOM 0 HE2 TYR A 122 -3.640 -11.965 -11.280 1.00 2.58 H new ATOM 0 HH TYR A 122 -4.434 -10.518 -12.807 1.00 2.40 H new ATOM 1925 N GLN A 123 1.775 -13.942 -10.111 1.00 1.64 N ATOM 1926 CA GLN A 123 1.624 -15.212 -10.829 1.00 1.90 C ATOM 1927 C GLN A 123 0.710 -16.151 -10.027 1.00 1.81 C ATOM 1928 O GLN A 123 0.984 -16.436 -8.868 1.00 2.13 O ATOM 1929 CB GLN A 123 3.000 -15.873 -11.037 1.00 2.31 C ATOM 1930 CG GLN A 123 4.026 -15.030 -11.817 1.00 2.92 C ATOM 1931 CD GLN A 123 5.416 -15.659 -11.755 1.00 3.86 C ATOM 1932 OE1 GLN A 123 5.843 -16.377 -12.646 1.00 4.28 O ATOM 1933 NE2 GLN A 123 6.154 -15.447 -10.688 1.00 4.66 N ATOM 0 H GLN A 123 1.878 -14.060 -9.103 1.00 1.64 H new ATOM 0 HA GLN A 123 1.178 -15.018 -11.804 1.00 1.90 H new ATOM 0 HB2 GLN A 123 3.420 -16.114 -10.060 1.00 2.31 H new ATOM 0 HB3 GLN A 123 2.855 -16.817 -11.563 1.00 2.31 H new ATOM 0 HG2 GLN A 123 3.711 -14.939 -12.856 1.00 2.92 H new ATOM 0 HG3 GLN A 123 4.061 -14.022 -11.405 1.00 2.92 H new ATOM 0 HE21 GLN A 123 5.807 -14.849 -9.938 1.00 4.66 H new ATOM 0 HE22 GLN A 123 7.074 -15.880 -10.610 1.00 4.66 H new ATOM 1942 N LYS A 124 -0.355 -16.690 -10.628 1.00 1.49 N ATOM 1943 CA LYS A 124 -1.241 -17.649 -9.942 1.00 1.36 C ATOM 1944 C LYS A 124 -0.844 -19.090 -10.308 1.00 1.75 C ATOM 1945 O LYS A 124 -0.937 -19.504 -11.466 1.00 2.03 O ATOM 1946 CB LYS A 124 -2.712 -17.347 -10.283 1.00 1.17 C ATOM 1947 CG LYS A 124 -3.220 -16.070 -9.584 1.00 2.65 C ATOM 1948 CD LYS A 124 -4.687 -15.719 -9.883 1.00 2.58 C ATOM 1949 CE LYS A 124 -5.641 -16.891 -9.618 1.00 2.60 C ATOM 1950 NZ LYS A 124 -7.044 -16.436 -9.589 1.00 2.99 N ATOM 0 H LYS A 124 -0.629 -16.482 -11.588 1.00 1.49 H new ATOM 0 HA LYS A 124 -1.128 -17.544 -8.863 1.00 1.36 H new ATOM 0 HB2 LYS A 124 -2.818 -17.235 -11.362 1.00 1.17 H new ATOM 0 HB3 LYS A 124 -3.333 -18.193 -9.988 1.00 1.17 H new ATOM 0 HG2 LYS A 124 -3.100 -16.189 -8.507 1.00 2.65 H new ATOM 0 HG3 LYS A 124 -2.591 -15.232 -9.884 1.00 2.65 H new ATOM 0 HD2 LYS A 124 -4.985 -14.868 -9.271 1.00 2.58 H new ATOM 0 HD3 LYS A 124 -4.778 -15.410 -10.924 1.00 2.58 H new ATOM 0 HE2 LYS A 124 -5.517 -17.648 -10.393 1.00 2.60 H new ATOM 0 HE3 LYS A 124 -5.388 -17.362 -8.668 1.00 2.60 H new ATOM 0 HZ1 LYS A 124 -7.674 -17.241 -9.782 1.00 2.99 H new ATOM 0 HZ2 LYS A 124 -7.262 -16.043 -8.651 1.00 2.99 H new ATOM 0 HZ3 LYS A 124 -7.186 -15.703 -10.313 1.00 2.99 H new ATOM 2120 N VAL A 135 -0.129 -18.656 -4.846 1.00 2.22 N ATOM 2121 CA VAL A 135 -0.087 -17.451 -5.680 1.00 1.92 C ATOM 2122 C VAL A 135 1.158 -16.656 -5.268 1.00 2.00 C ATOM 2123 O VAL A 135 1.434 -16.549 -4.076 1.00 2.01 O ATOM 2124 CB VAL A 135 -1.375 -16.605 -5.496 1.00 1.91 C ATOM 2125 CG1 VAL A 135 -1.336 -15.302 -6.315 1.00 2.09 C ATOM 2126 CG2 VAL A 135 -2.635 -17.411 -5.883 1.00 2.76 C ATOM 0 HA VAL A 135 -0.035 -17.718 -6.736 1.00 1.92 H new ATOM 0 HB VAL A 135 -1.422 -16.346 -4.438 1.00 1.91 H new ATOM 0 HG11 VAL A 135 -2.258 -14.744 -6.154 1.00 2.09 H new ATOM 0 HG12 VAL A 135 -0.486 -14.698 -5.998 1.00 2.09 H new ATOM 0 HG13 VAL A 135 -1.236 -15.541 -7.374 1.00 2.09 H new ATOM 0 HG21 VAL A 135 -3.521 -16.791 -5.743 1.00 2.76 H new ATOM 0 HG22 VAL A 135 -2.566 -17.715 -6.928 1.00 2.76 H new ATOM 0 HG23 VAL A 135 -2.709 -18.296 -5.252 1.00 2.76 H new ATOM 2136 N ASP A 136 1.890 -16.118 -6.241 1.00 1.69 N ATOM 2137 CA ASP A 136 2.990 -15.169 -6.069 1.00 1.61 C ATOM 2138 C ASP A 136 2.492 -13.739 -6.322 1.00 1.47 C ATOM 2139 O ASP A 136 1.770 -13.469 -7.282 1.00 1.55 O ATOM 2140 CB ASP A 136 4.127 -15.537 -7.041 1.00 1.90 C ATOM 2141 CG ASP A 136 4.968 -14.327 -7.472 1.00 3.33 C ATOM 2142 OD1 ASP A 136 5.611 -13.722 -6.587 1.00 4.86 O ATOM 2143 OD2 ASP A 136 4.930 -13.992 -8.678 1.00 3.84 O ATOM 0 H ASP A 136 1.724 -16.343 -7.222 1.00 1.69 H new ATOM 0 HA ASP A 136 3.368 -15.218 -5.048 1.00 1.61 H new ATOM 0 HB2 ASP A 136 4.777 -16.273 -6.568 1.00 1.90 H new ATOM 0 HB3 ASP A 136 3.701 -16.009 -7.926 1.00 1.90 H new ATOM 2148 N HIS A 137 2.904 -12.803 -5.469 1.00 1.22 N ATOM 2149 CA HIS A 137 2.687 -11.377 -5.660 1.00 1.06 C ATOM 2150 C HIS A 137 3.878 -10.523 -5.193 1.00 1.22 C ATOM 2151 O HIS A 137 4.464 -10.795 -4.143 1.00 1.41 O ATOM 2152 CB HIS A 137 1.393 -10.993 -4.940 1.00 1.15 C ATOM 2153 CG HIS A 137 1.296 -11.406 -3.490 1.00 1.61 C ATOM 2154 ND1 HIS A 137 2.238 -11.264 -2.498 1.00 2.71 N ATOM 2155 CD2 HIS A 137 0.232 -12.052 -2.935 1.00 1.89 C ATOM 2156 CE1 HIS A 137 1.724 -11.771 -1.362 1.00 2.91 C ATOM 2157 NE2 HIS A 137 0.486 -12.257 -1.576 1.00 2.37 N ATOM 0 H HIS A 137 3.408 -13.023 -4.610 1.00 1.22 H new ATOM 0 HA HIS A 137 2.596 -11.172 -6.727 1.00 1.06 H new ATOM 0 HB2 HIS A 137 1.275 -9.911 -4.998 1.00 1.15 H new ATOM 0 HB3 HIS A 137 0.555 -11.434 -5.480 1.00 1.15 H new ATOM 0 HD1 HIS A 137 3.163 -10.848 -2.604 1.00 2.71 H new ATOM 0 HD2 HIS A 137 -0.662 -12.356 -3.460 1.00 1.89 H new ATOM 0 HE1 HIS A 137 2.234 -11.786 -0.410 1.00 2.91 H new ATOM 2166 N THR A 138 4.138 -9.430 -5.928 1.00 0.87 N ATOM 2167 CA THR A 138 5.247 -8.457 -5.799 1.00 0.78 C ATOM 2168 C THR A 138 5.698 -8.057 -4.394 1.00 1.48 C ATOM 2169 O THR A 138 6.850 -7.665 -4.251 1.00 3.06 O ATOM 2170 CB THR A 138 4.883 -7.209 -6.626 1.00 1.03 C ATOM 2171 OG1 THR A 138 5.959 -6.314 -6.684 1.00 2.56 O ATOM 2172 CG2 THR A 138 3.695 -6.419 -6.080 1.00 2.79 C ATOM 0 H THR A 138 3.523 -9.177 -6.701 1.00 0.87 H new ATOM 0 HA THR A 138 6.124 -8.984 -6.174 1.00 0.78 H new ATOM 0 HB THR A 138 4.622 -7.607 -7.607 1.00 1.03 H new ATOM 0 HG1 THR A 138 6.656 -6.678 -7.268 1.00 2.56 H new ATOM 0 HG21 THR A 138 3.506 -5.557 -6.720 1.00 2.79 H new ATOM 0 HG22 THR A 138 2.812 -7.057 -6.060 1.00 2.79 H new ATOM 0 HG23 THR A 138 3.919 -6.078 -5.069 1.00 2.79 H new ATOM 2180 N ALA A 139 4.824 -8.076 -3.378 1.00 0.74 N ATOM 2181 CA ALA A 139 5.115 -7.723 -1.975 1.00 0.98 C ATOM 2182 C ALA A 139 5.663 -6.287 -1.779 1.00 0.99 C ATOM 2183 O ALA A 139 6.184 -5.945 -0.716 1.00 1.48 O ATOM 2184 CB ALA A 139 6.028 -8.799 -1.356 1.00 1.52 C ATOM 0 H ALA A 139 3.851 -8.350 -3.514 1.00 0.74 H new ATOM 0 HA ALA A 139 4.166 -7.709 -1.439 1.00 0.98 H new ATOM 0 HB1 ALA A 139 6.244 -8.540 -0.319 1.00 1.52 H new ATOM 0 HB2 ALA A 139 5.526 -9.766 -1.392 1.00 1.52 H new ATOM 0 HB3 ALA A 139 6.960 -8.853 -1.919 1.00 1.52 H new ATOM 2190 N THR A 140 5.532 -5.427 -2.790 1.00 0.78 N ATOM 2191 CA THR A 140 6.174 -4.107 -2.836 1.00 0.75 C ATOM 2192 C THR A 140 5.198 -3.056 -2.326 1.00 0.77 C ATOM 2193 O THR A 140 3.993 -3.156 -2.562 1.00 1.03 O ATOM 2194 CB THR A 140 6.645 -3.825 -4.267 1.00 0.74 C ATOM 2195 OG1 THR A 140 7.678 -4.743 -4.556 1.00 1.12 O ATOM 2196 CG2 THR A 140 7.233 -2.425 -4.450 1.00 0.89 C ATOM 0 H THR A 140 4.968 -5.629 -3.615 1.00 0.78 H new ATOM 0 HA THR A 140 7.052 -4.079 -2.190 1.00 0.75 H new ATOM 0 HB THR A 140 5.777 -3.912 -4.921 1.00 0.74 H new ATOM 0 HG1 THR A 140 7.321 -5.655 -4.531 1.00 1.12 H new ATOM 0 HG21 THR A 140 7.546 -2.294 -5.486 1.00 0.89 H new ATOM 0 HG22 THR A 140 6.479 -1.678 -4.202 1.00 0.89 H new ATOM 0 HG23 THR A 140 8.094 -2.303 -3.793 1.00 0.89 H new ATOM 2204 N THR A 141 5.726 -2.063 -1.597 1.00 0.59 N ATOM 2205 CA THR A 141 4.985 -0.887 -1.127 1.00 0.58 C ATOM 2206 C THR A 141 5.412 0.330 -1.937 1.00 0.93 C ATOM 2207 O THR A 141 6.598 0.653 -2.019 1.00 0.97 O ATOM 2208 CB THR A 141 5.190 -0.641 0.367 1.00 0.66 C ATOM 2209 OG1 THR A 141 4.671 -1.737 1.070 1.00 1.19 O ATOM 2210 CG2 THR A 141 4.463 0.598 0.895 1.00 1.28 C ATOM 0 H THR A 141 6.705 -2.056 -1.311 1.00 0.59 H new ATOM 0 HA THR A 141 3.920 -1.071 -1.272 1.00 0.58 H new ATOM 0 HB THR A 141 6.261 -0.495 0.510 1.00 0.66 H new ATOM 0 HG1 THR A 141 4.795 -1.597 2.032 1.00 1.19 H new ATOM 0 HG21 THR A 141 4.656 0.706 1.962 1.00 1.28 H new ATOM 0 HG22 THR A 141 4.823 1.483 0.370 1.00 1.28 H new ATOM 0 HG23 THR A 141 3.391 0.489 0.730 1.00 1.28 H new ATOM 2218 N PHE A 142 4.434 1.021 -2.510 1.00 0.80 N ATOM 2219 CA PHE A 142 4.620 2.159 -3.403 1.00 0.84 C ATOM 2220 C PHE A 142 4.157 3.448 -2.711 1.00 4.20 C ATOM 2221 O PHE A 142 3.003 3.541 -2.290 1.00 6.81 O ATOM 2222 CB PHE A 142 3.809 1.920 -4.688 1.00 0.85 C ATOM 2223 CG PHE A 142 4.059 0.596 -5.391 1.00 0.96 C ATOM 2224 CD1 PHE A 142 3.348 -0.552 -4.998 1.00 2.92 C ATOM 2225 CD2 PHE A 142 4.981 0.511 -6.450 1.00 2.11 C ATOM 2226 CE1 PHE A 142 3.576 -1.780 -5.645 1.00 6.39 C ATOM 2227 CE2 PHE A 142 5.208 -0.716 -7.096 1.00 1.43 C ATOM 2228 CZ PHE A 142 4.508 -1.864 -6.692 1.00 1.91 C ATOM 0 H PHE A 142 3.451 0.795 -2.360 1.00 0.80 H new ATOM 0 HA PHE A 142 5.675 2.265 -3.654 1.00 0.84 H new ATOM 0 HB2 PHE A 142 2.749 1.985 -4.444 1.00 0.85 H new ATOM 0 HB3 PHE A 142 4.025 2.728 -5.387 1.00 0.85 H new ATOM 0 HD1 PHE A 142 2.625 -0.491 -4.198 1.00 2.92 H new ATOM 0 HD2 PHE A 142 5.517 1.393 -6.768 1.00 2.11 H new ATOM 0 HE1 PHE A 142 3.033 -2.661 -5.336 1.00 6.39 H new ATOM 0 HE2 PHE A 142 5.922 -0.776 -7.904 1.00 1.43 H new ATOM 0 HZ PHE A 142 4.686 -2.808 -7.185 1.00 1.91 H new ATOM 2238 N VAL A 143 5.023 4.464 -2.632 1.00 0.83 N ATOM 2239 CA VAL A 143 4.665 5.752 -2.025 1.00 0.90 C ATOM 2240 C VAL A 143 4.294 6.746 -3.111 1.00 1.24 C ATOM 2241 O VAL A 143 5.063 7.003 -4.043 1.00 1.47 O ATOM 2242 CB VAL A 143 5.782 6.354 -1.151 1.00 1.00 C ATOM 2243 CG1 VAL A 143 5.260 7.612 -0.435 1.00 1.13 C ATOM 2244 CG2 VAL A 143 6.239 5.343 -0.094 1.00 1.12 C ATOM 0 H VAL A 143 5.980 4.419 -2.982 1.00 0.83 H new ATOM 0 HA VAL A 143 3.818 5.555 -1.368 1.00 0.90 H new ATOM 0 HB VAL A 143 6.623 6.610 -1.796 1.00 1.00 H new ATOM 0 HG11 VAL A 143 6.053 8.035 0.182 1.00 1.13 H new ATOM 0 HG12 VAL A 143 4.945 8.348 -1.175 1.00 1.13 H new ATOM 0 HG13 VAL A 143 4.412 7.346 0.196 1.00 1.13 H new ATOM 0 HG21 VAL A 143 7.028 5.784 0.515 1.00 1.12 H new ATOM 0 HG22 VAL A 143 5.396 5.076 0.543 1.00 1.12 H new ATOM 0 HG23 VAL A 143 6.619 4.448 -0.587 1.00 1.12 H new ATOM 2254 N VAL A 144 3.122 7.349 -2.932 1.00 0.96 N ATOM 2255 CA VAL A 144 2.695 8.535 -3.671 1.00 0.85 C ATOM 2256 C VAL A 144 2.328 9.687 -2.735 1.00 1.05 C ATOM 2257 O VAL A 144 1.728 9.517 -1.672 1.00 1.03 O ATOM 2258 CB VAL A 144 1.536 8.281 -4.661 1.00 0.99 C ATOM 2259 CG1 VAL A 144 1.827 7.169 -5.677 1.00 2.07 C ATOM 2260 CG2 VAL A 144 0.209 8.004 -3.957 1.00 2.19 C ATOM 0 H VAL A 144 2.430 7.022 -2.258 1.00 0.96 H new ATOM 0 HA VAL A 144 3.565 8.813 -4.266 1.00 0.85 H new ATOM 0 HB VAL A 144 1.447 9.216 -5.215 1.00 0.99 H new ATOM 0 HG11 VAL A 144 0.969 7.047 -6.339 1.00 2.07 H new ATOM 0 HG12 VAL A 144 2.705 7.435 -6.266 1.00 2.07 H new ATOM 0 HG13 VAL A 144 2.014 6.234 -5.149 1.00 2.07 H new ATOM 0 HG21 VAL A 144 -0.569 7.833 -4.701 1.00 2.19 H new ATOM 0 HG22 VAL A 144 0.309 7.120 -3.327 1.00 2.19 H new ATOM 0 HG23 VAL A 144 -0.061 8.861 -3.340 1.00 2.19 H new ATOM 2270 N LYS A 145 2.659 10.870 -3.227 1.00 0.95 N ATOM 2271 CA LYS A 145 2.184 12.186 -2.815 1.00 1.08 C ATOM 2272 C LYS A 145 1.813 12.918 -4.106 1.00 1.35 C ATOM 2273 O LYS A 145 2.451 12.673 -5.133 1.00 1.60 O ATOM 2274 CB LYS A 145 3.349 12.857 -2.075 1.00 1.15 C ATOM 2275 CG LYS A 145 3.088 14.269 -1.521 1.00 1.34 C ATOM 2276 CD LYS A 145 4.374 14.710 -0.792 1.00 1.30 C ATOM 2277 CE LYS A 145 4.146 15.760 0.301 1.00 1.38 C ATOM 2278 NZ LYS A 145 5.339 15.852 1.179 1.00 1.79 N ATOM 0 H LYS A 145 3.327 10.943 -3.994 1.00 0.95 H new ATOM 0 HA LYS A 145 1.318 12.172 -2.153 1.00 1.08 H new ATOM 0 HB2 LYS A 145 3.642 12.214 -1.245 1.00 1.15 H new ATOM 0 HB3 LYS A 145 4.200 12.909 -2.754 1.00 1.15 H new ATOM 0 HG2 LYS A 145 2.845 14.961 -2.327 1.00 1.34 H new ATOM 0 HG3 LYS A 145 2.239 14.265 -0.837 1.00 1.34 H new ATOM 0 HD2 LYS A 145 4.845 13.834 -0.346 1.00 1.30 H new ATOM 0 HD3 LYS A 145 5.075 15.110 -1.525 1.00 1.30 H new ATOM 0 HE2 LYS A 145 3.944 16.730 -0.153 1.00 1.38 H new ATOM 0 HE3 LYS A 145 3.269 15.496 0.892 1.00 1.38 H new ATOM 0 HZ1 LYS A 145 5.114 16.436 2.010 1.00 1.79 H new ATOM 0 HZ2 LYS A 145 5.615 14.899 1.490 1.00 1.79 H new ATOM 0 HZ3 LYS A 145 6.125 16.286 0.653 1.00 1.79 H new ATOM 2292 N GLU A 146 0.773 13.752 -4.112 1.00 1.31 N ATOM 2293 CA GLU A 146 0.476 14.733 -5.182 1.00 1.38 C ATOM 2294 C GLU A 146 -0.223 14.094 -6.404 1.00 1.78 C ATOM 2295 O GLU A 146 -0.884 14.780 -7.179 1.00 2.41 O ATOM 2296 CB GLU A 146 1.790 15.403 -5.641 1.00 1.47 C ATOM 2297 CG GLU A 146 1.715 16.817 -6.209 1.00 2.36 C ATOM 2298 CD GLU A 146 2.960 17.060 -7.074 1.00 2.78 C ATOM 2299 OE1 GLU A 146 4.068 16.696 -6.625 1.00 2.69 O ATOM 2300 OE2 GLU A 146 2.843 17.463 -8.255 1.00 3.80 O ATOM 0 H GLU A 146 0.089 13.773 -3.356 1.00 1.31 H new ATOM 0 HA GLU A 146 -0.211 15.469 -4.763 1.00 1.38 H new ATOM 0 HB2 GLU A 146 2.470 15.421 -4.789 1.00 1.47 H new ATOM 0 HB3 GLU A 146 2.244 14.763 -6.398 1.00 1.47 H new ATOM 0 HG2 GLU A 146 0.810 16.939 -6.804 1.00 2.36 H new ATOM 0 HG3 GLU A 146 1.666 17.548 -5.402 1.00 2.36 H new ATOM 2307 N GLY A 147 -0.080 12.776 -6.594 1.00 1.24 N ATOM 2308 CA GLY A 147 -0.416 12.064 -7.838 1.00 1.27 C ATOM 2309 C GLY A 147 0.824 11.644 -8.630 1.00 1.23 C ATOM 2310 O GLY A 147 0.766 11.518 -9.852 1.00 1.37 O ATOM 0 H GLY A 147 0.282 12.157 -5.869 1.00 1.24 H new ATOM 0 HA2 GLY A 147 -1.006 11.179 -7.598 1.00 1.27 H new ATOM 0 HA3 GLY A 147 -1.041 12.704 -8.461 1.00 1.27 H new ATOM 2314 N ARG A 148 1.951 11.417 -7.945 1.00 1.09 N ATOM 2315 CA ARG A 148 3.189 10.874 -8.506 1.00 1.01 C ATOM 2316 C ARG A 148 3.857 9.910 -7.528 1.00 1.32 C ATOM 2317 O ARG A 148 3.769 10.060 -6.313 1.00 1.54 O ATOM 2318 CB ARG A 148 4.156 11.995 -8.933 1.00 0.98 C ATOM 2319 CG ARG A 148 4.364 13.028 -7.834 1.00 1.20 C ATOM 2320 CD ARG A 148 5.472 14.024 -8.168 1.00 1.26 C ATOM 2321 NE ARG A 148 4.944 15.238 -8.794 1.00 1.74 N ATOM 2322 CZ ARG A 148 5.143 15.719 -10.011 1.00 2.88 C ATOM 2323 NH1 ARG A 148 5.907 15.108 -10.897 1.00 3.87 N ATOM 2324 NH2 ARG A 148 4.544 16.844 -10.328 1.00 3.47 N ATOM 0 H ARG A 148 2.026 11.615 -6.947 1.00 1.09 H new ATOM 0 HA ARG A 148 2.926 10.313 -9.403 1.00 1.01 H new ATOM 0 HB2 ARG A 148 5.117 11.559 -9.205 1.00 0.98 H new ATOM 0 HB3 ARG A 148 3.766 12.488 -9.823 1.00 0.98 H new ATOM 0 HG2 ARG A 148 3.432 13.569 -7.667 1.00 1.20 H new ATOM 0 HG3 ARG A 148 4.608 12.518 -6.902 1.00 1.20 H new ATOM 0 HD2 ARG A 148 6.009 14.289 -7.257 1.00 1.26 H new ATOM 0 HD3 ARG A 148 6.193 13.554 -8.837 1.00 1.26 H new ATOM 0 HE ARG A 148 4.330 15.798 -8.203 1.00 1.74 H new ATOM 0 HH11 ARG A 148 6.370 14.232 -10.654 1.00 3.87 H new ATOM 0 HH12 ARG A 148 6.035 15.512 -11.825 1.00 3.87 H new ATOM 0 HH21 ARG A 148 3.950 17.315 -9.646 1.00 3.47 H new ATOM 0 HH22 ARG A 148 4.673 17.246 -11.256 1.00 3.47 H new ATOM 2338 N LEU A 149 4.541 8.914 -8.076 1.00 0.92 N ATOM 2339 CA LEU A 149 5.274 7.889 -7.345 1.00 0.89 C ATOM 2340 C LEU A 149 6.638 8.470 -6.966 1.00 1.13 C ATOM 2341 O LEU A 149 7.433 8.790 -7.845 1.00 1.39 O ATOM 2342 CB LEU A 149 5.319 6.611 -8.215 1.00 0.97 C ATOM 2343 CG LEU A 149 5.135 5.316 -7.400 1.00 1.15 C ATOM 2344 CD1 LEU A 149 4.861 4.138 -8.345 1.00 2.46 C ATOM 2345 CD2 LEU A 149 6.352 5.004 -6.518 1.00 1.63 C ATOM 0 H LEU A 149 4.603 8.793 -9.087 1.00 0.92 H new ATOM 0 HA LEU A 149 4.796 7.595 -6.410 1.00 0.89 H new ATOM 0 HB2 LEU A 149 4.539 6.669 -8.975 1.00 0.97 H new ATOM 0 HB3 LEU A 149 6.273 6.570 -8.740 1.00 0.97 H new ATOM 0 HG LEU A 149 4.283 5.468 -6.738 1.00 1.15 H new ATOM 0 HD11 LEU A 149 4.732 3.226 -7.762 1.00 2.46 H new ATOM 0 HD12 LEU A 149 3.954 4.334 -8.917 1.00 2.46 H new ATOM 0 HD13 LEU A 149 5.702 4.016 -9.028 1.00 2.46 H new ATOM 0 HD21 LEU A 149 6.173 4.082 -5.964 1.00 1.63 H new ATOM 0 HD22 LEU A 149 7.235 4.885 -7.146 1.00 1.63 H new ATOM 0 HD23 LEU A 149 6.513 5.823 -5.817 1.00 1.63 H new ATOM 2357 N VAL A 150 6.861 8.652 -5.664 1.00 0.90 N ATOM 2358 CA VAL A 150 8.000 9.402 -5.093 1.00 0.98 C ATOM 2359 C VAL A 150 9.036 8.502 -4.400 1.00 1.15 C ATOM 2360 O VAL A 150 10.183 8.916 -4.221 1.00 1.27 O ATOM 2361 CB VAL A 150 7.521 10.483 -4.089 1.00 1.08 C ATOM 2362 CG1 VAL A 150 6.842 11.658 -4.812 1.00 1.87 C ATOM 2363 CG2 VAL A 150 6.549 9.924 -3.036 1.00 1.58 C ATOM 0 H VAL A 150 6.240 8.273 -4.949 1.00 0.90 H new ATOM 0 HA VAL A 150 8.486 9.876 -5.946 1.00 0.98 H new ATOM 0 HB VAL A 150 8.420 10.831 -3.580 1.00 1.08 H new ATOM 0 HG11 VAL A 150 6.518 12.398 -4.080 1.00 1.87 H new ATOM 0 HG12 VAL A 150 7.549 12.117 -5.503 1.00 1.87 H new ATOM 0 HG13 VAL A 150 5.977 11.293 -5.366 1.00 1.87 H new ATOM 0 HG21 VAL A 150 6.246 10.723 -2.360 1.00 1.58 H new ATOM 0 HG22 VAL A 150 5.669 9.516 -3.533 1.00 1.58 H new ATOM 0 HG23 VAL A 150 7.042 9.135 -2.468 1.00 1.58 H new ATOM 2373 N LEU A 151 8.647 7.274 -4.015 1.00 0.83 N ATOM 2374 CA LEU A 151 9.469 6.361 -3.218 1.00 0.81 C ATOM 2375 C LEU A 151 8.929 4.920 -3.244 1.00 1.18 C ATOM 2376 O LEU A 151 7.724 4.694 -3.392 1.00 1.36 O ATOM 2377 CB LEU A 151 9.596 6.927 -1.779 1.00 0.88 C ATOM 2378 CG LEU A 151 11.024 6.833 -1.211 1.00 0.88 C ATOM 2379 CD1 LEU A 151 11.489 8.147 -0.564 1.00 1.24 C ATOM 2380 CD2 LEU A 151 11.161 5.684 -0.220 1.00 1.08 C ATOM 0 H LEU A 151 7.735 6.886 -4.256 1.00 0.83 H new ATOM 0 HA LEU A 151 10.465 6.299 -3.657 1.00 0.81 H new ATOM 0 HB2 LEU A 151 9.280 7.970 -1.777 1.00 0.88 H new ATOM 0 HB3 LEU A 151 8.915 6.386 -1.122 1.00 0.88 H new ATOM 0 HG LEU A 151 11.673 6.636 -2.064 1.00 0.88 H new ATOM 0 HD11 LEU A 151 12.502 8.025 -0.180 1.00 1.24 H new ATOM 0 HD12 LEU A 151 11.476 8.943 -1.308 1.00 1.24 H new ATOM 0 HD13 LEU A 151 10.819 8.406 0.256 1.00 1.24 H new ATOM 0 HD21 LEU A 151 12.182 5.650 0.159 1.00 1.08 H new ATOM 0 HD22 LEU A 151 10.471 5.835 0.610 1.00 1.08 H new ATOM 0 HD23 LEU A 151 10.928 4.743 -0.719 1.00 1.08 H new ATOM 2392 N LEU A 152 9.825 3.941 -3.100 1.00 0.65 N ATOM 2393 CA LEU A 152 9.500 2.511 -3.023 1.00 0.61 C ATOM 2394 C LEU A 152 10.082 1.895 -1.748 1.00 1.09 C ATOM 2395 O LEU A 152 11.240 2.143 -1.412 1.00 1.15 O ATOM 2396 CB LEU A 152 10.089 1.787 -4.251 1.00 0.67 C ATOM 2397 CG LEU A 152 9.560 2.252 -5.622 1.00 0.82 C ATOM 2398 CD1 LEU A 152 10.390 1.601 -6.735 1.00 0.94 C ATOM 2399 CD2 LEU A 152 8.083 1.882 -5.803 1.00 0.96 C ATOM 0 H LEU A 152 10.826 4.124 -3.032 1.00 0.65 H new ATOM 0 HA LEU A 152 8.416 2.399 -3.006 1.00 0.61 H new ATOM 0 HB2 LEU A 152 11.172 1.913 -4.239 1.00 0.67 H new ATOM 0 HB3 LEU A 152 9.891 0.720 -4.149 1.00 0.67 H new ATOM 0 HG LEU A 152 9.648 3.337 -5.673 1.00 0.82 H new ATOM 0 HD11 LEU A 152 10.018 1.929 -7.706 1.00 0.94 H new ATOM 0 HD12 LEU A 152 11.434 1.895 -6.629 1.00 0.94 H new ATOM 0 HD13 LEU A 152 10.309 0.516 -6.662 1.00 0.94 H new ATOM 0 HD21 LEU A 152 7.739 2.223 -6.779 1.00 0.96 H new ATOM 0 HD22 LEU A 152 7.968 0.800 -5.736 1.00 0.96 H new ATOM 0 HD23 LEU A 152 7.490 2.359 -5.023 1.00 0.96 H new ATOM 2411 N TYR A 153 9.316 1.032 -1.075 1.00 0.67 N ATOM 2412 CA TYR A 153 9.815 0.126 -0.036 1.00 0.64 C ATOM 2413 C TYR A 153 9.614 -1.346 -0.459 1.00 1.14 C ATOM 2414 O TYR A 153 8.533 -1.756 -0.885 1.00 1.40 O ATOM 2415 CB TYR A 153 9.123 0.379 1.318 1.00 0.60 C ATOM 2416 CG TYR A 153 9.112 1.798 1.865 1.00 0.97 C ATOM 2417 CD1 TYR A 153 10.314 2.441 2.225 1.00 1.71 C ATOM 2418 CD2 TYR A 153 7.885 2.449 2.102 1.00 2.32 C ATOM 2419 CE1 TYR A 153 10.291 3.737 2.781 1.00 1.98 C ATOM 2420 CE2 TYR A 153 7.854 3.728 2.690 1.00 3.04 C ATOM 2421 CZ TYR A 153 9.059 4.387 3.020 1.00 2.43 C ATOM 2422 OH TYR A 153 9.015 5.637 3.559 1.00 3.29 O ATOM 0 H TYR A 153 8.313 0.942 -1.240 1.00 0.67 H new ATOM 0 HA TYR A 153 10.880 0.324 0.085 1.00 0.64 H new ATOM 0 HB2 TYR A 153 8.088 0.048 1.230 1.00 0.60 H new ATOM 0 HB3 TYR A 153 9.600 -0.260 2.061 1.00 0.60 H new ATOM 0 HD1 TYR A 153 11.258 1.938 2.074 1.00 1.71 H new ATOM 0 HD2 TYR A 153 6.960 1.962 1.830 1.00 2.32 H new ATOM 0 HE1 TYR A 153 11.218 4.234 3.025 1.00 1.98 H new ATOM 0 HE2 TYR A 153 6.906 4.206 2.889 1.00 3.04 H new ATOM 0 HH TYR A 153 9.747 6.177 3.194 1.00 3.29 H new ATOM 2432 N SER A 154 10.650 -2.167 -0.295 1.00 1.17 N ATOM 2433 CA SER A 154 10.501 -3.629 -0.140 1.00 1.17 C ATOM 2434 C SER A 154 10.098 -3.957 1.315 1.00 1.23 C ATOM 2435 O SER A 154 10.285 -3.089 2.175 1.00 1.32 O ATOM 2436 CB SER A 154 11.826 -4.298 -0.527 1.00 1.36 C ATOM 2437 OG SER A 154 11.990 -4.226 -1.930 1.00 2.09 O ATOM 0 H SER A 154 11.618 -1.847 -0.265 1.00 1.17 H new ATOM 0 HA SER A 154 9.715 -4.010 -0.793 1.00 1.17 H new ATOM 0 HB2 SER A 154 12.657 -3.803 -0.026 1.00 1.36 H new ATOM 0 HB3 SER A 154 11.831 -5.338 -0.201 1.00 1.36 H new ATOM 0 HG SER A 154 12.836 -4.651 -2.183 1.00 2.09 H new ATOM 2443 N PRO A 155 9.568 -5.156 1.634 1.00 1.19 N ATOM 2444 CA PRO A 155 9.113 -5.457 2.992 1.00 1.28 C ATOM 2445 C PRO A 155 10.276 -5.408 3.992 1.00 1.50 C ATOM 2446 O PRO A 155 10.136 -4.827 5.062 1.00 1.40 O ATOM 2447 CB PRO A 155 8.431 -6.828 2.918 1.00 1.42 C ATOM 2448 CG PRO A 155 9.042 -7.478 1.678 1.00 1.41 C ATOM 2449 CD PRO A 155 9.324 -6.292 0.756 1.00 1.33 C ATOM 0 HA PRO A 155 8.406 -4.713 3.360 1.00 1.28 H new ATOM 0 HB2 PRO A 155 8.623 -7.418 3.814 1.00 1.42 H new ATOM 0 HB3 PRO A 155 7.349 -6.731 2.826 1.00 1.42 H new ATOM 0 HG2 PRO A 155 9.954 -8.025 1.919 1.00 1.41 H new ATOM 0 HG3 PRO A 155 8.356 -8.190 1.218 1.00 1.41 H new ATOM 0 HD2 PRO A 155 10.188 -6.488 0.120 1.00 1.33 H new ATOM 0 HD3 PRO A 155 8.479 -6.101 0.095 1.00 1.33 H new ATOM 2457 N ASP A 156 11.468 -5.881 3.613 1.00 1.37 N ATOM 2458 CA ASP A 156 12.679 -5.794 4.437 1.00 1.51 C ATOM 2459 C ASP A 156 13.183 -4.346 4.663 1.00 1.58 C ATOM 2460 O ASP A 156 14.079 -4.087 5.472 1.00 2.01 O ATOM 2461 CB ASP A 156 13.755 -6.679 3.782 1.00 1.72 C ATOM 2462 CG ASP A 156 14.453 -6.013 2.589 1.00 2.08 C ATOM 2463 OD1 ASP A 156 13.804 -5.250 1.833 1.00 2.40 O ATOM 2464 OD2 ASP A 156 15.702 -6.097 2.529 1.00 3.33 O ATOM 0 H ASP A 156 11.621 -6.340 2.715 1.00 1.37 H new ATOM 0 HA ASP A 156 12.442 -6.152 5.439 1.00 1.51 H new ATOM 0 HB2 ASP A 156 14.503 -6.941 4.530 1.00 1.72 H new ATOM 0 HB3 ASP A 156 13.296 -7.610 3.450 1.00 1.72 H new ATOM 2469 N LYS A 157 12.631 -3.381 3.920 1.00 1.32 N ATOM 2470 CA LYS A 157 12.729 -1.945 4.196 1.00 1.30 C ATOM 2471 C LYS A 157 11.586 -1.495 5.126 1.00 1.32 C ATOM 2472 O LYS A 157 11.847 -0.903 6.171 1.00 1.34 O ATOM 2473 CB LYS A 157 12.746 -1.109 2.894 1.00 1.34 C ATOM 2474 CG LYS A 157 13.781 -1.526 1.836 1.00 1.76 C ATOM 2475 CD LYS A 157 15.242 -1.248 2.234 1.00 2.15 C ATOM 2476 CE LYS A 157 16.141 -2.478 2.090 1.00 2.50 C ATOM 2477 NZ LYS A 157 15.830 -3.492 3.113 1.00 2.86 N ATOM 0 H LYS A 157 12.086 -3.585 3.082 1.00 1.32 H new ATOM 0 HA LYS A 157 13.678 -1.770 4.703 1.00 1.30 H new ATOM 0 HB2 LYS A 157 11.755 -1.157 2.442 1.00 1.34 H new ATOM 0 HB3 LYS A 157 12.926 -0.067 3.158 1.00 1.34 H new ATOM 0 HG2 LYS A 157 13.668 -2.591 1.635 1.00 1.76 H new ATOM 0 HG3 LYS A 157 13.564 -1.001 0.906 1.00 1.76 H new ATOM 0 HD2 LYS A 157 15.635 -0.442 1.615 1.00 2.15 H new ATOM 0 HD3 LYS A 157 15.272 -0.900 3.267 1.00 2.15 H new ATOM 0 HE2 LYS A 157 16.014 -2.909 1.097 1.00 2.50 H new ATOM 0 HE3 LYS A 157 17.186 -2.180 2.177 1.00 2.50 H new ATOM 0 HZ1 LYS A 157 16.290 -4.390 2.863 1.00 2.86 H new ATOM 0 HZ2 LYS A 157 16.179 -3.170 4.038 1.00 2.86 H new ATOM 0 HZ3 LYS A 157 14.801 -3.632 3.161 1.00 2.86 H new ATOM 2491 N ALA A 158 10.339 -1.804 4.754 1.00 1.02 N ATOM 2492 CA ALA A 158 9.108 -1.363 5.416 1.00 0.90 C ATOM 2493 C ALA A 158 8.976 -1.848 6.873 1.00 1.10 C ATOM 2494 O ALA A 158 8.518 -1.083 7.715 1.00 1.12 O ATOM 2495 CB ALA A 158 7.918 -1.832 4.565 1.00 0.88 C ATOM 0 H ALA A 158 10.153 -2.396 3.945 1.00 1.02 H new ATOM 0 HA ALA A 158 9.132 -0.276 5.487 1.00 0.90 H new ATOM 0 HB1 ALA A 158 6.987 -1.516 5.036 1.00 0.88 H new ATOM 0 HB2 ALA A 158 7.988 -1.394 3.569 1.00 0.88 H new ATOM 0 HB3 ALA A 158 7.934 -2.919 4.485 1.00 0.88 H new ATOM 2501 N GLU A 159 9.402 -3.076 7.184 1.00 0.94 N ATOM 2502 CA GLU A 159 9.197 -3.661 8.513 1.00 0.92 C ATOM 2503 C GLU A 159 10.090 -3.040 9.597 1.00 1.21 C ATOM 2504 O GLU A 159 9.757 -3.091 10.782 1.00 1.40 O ATOM 2505 CB GLU A 159 9.292 -5.195 8.454 1.00 0.96 C ATOM 2506 CG GLU A 159 8.126 -5.733 7.610 1.00 1.23 C ATOM 2507 CD GLU A 159 7.890 -7.235 7.702 1.00 1.69 C ATOM 2508 OE1 GLU A 159 8.637 -7.949 8.406 1.00 2.37 O ATOM 2509 OE2 GLU A 159 6.886 -7.666 7.087 1.00 2.85 O ATOM 0 H GLU A 159 9.893 -3.686 6.531 1.00 0.94 H new ATOM 0 HA GLU A 159 8.182 -3.410 8.822 1.00 0.92 H new ATOM 0 HB2 GLU A 159 10.244 -5.497 8.018 1.00 0.96 H new ATOM 0 HB3 GLU A 159 9.255 -5.614 9.460 1.00 0.96 H new ATOM 0 HG2 GLU A 159 7.213 -5.220 7.913 1.00 1.23 H new ATOM 0 HG3 GLU A 159 8.305 -5.474 6.567 1.00 1.23 H new ATOM 2516 N ALA A 160 11.171 -2.349 9.216 1.00 0.91 N ATOM 2517 CA ALA A 160 11.911 -1.471 10.122 1.00 0.88 C ATOM 2518 C ALA A 160 11.135 -0.158 10.320 1.00 1.02 C ATOM 2519 O ALA A 160 11.509 0.879 9.763 1.00 0.98 O ATOM 2520 CB ALA A 160 13.341 -1.261 9.596 1.00 0.91 C ATOM 0 H ALA A 160 11.555 -2.385 8.272 1.00 0.91 H new ATOM 0 HA ALA A 160 12.006 -1.932 11.105 1.00 0.88 H new ATOM 0 HB1 ALA A 160 13.886 -0.606 10.276 1.00 0.91 H new ATOM 0 HB2 ALA A 160 13.850 -2.223 9.532 1.00 0.91 H new ATOM 0 HB3 ALA A 160 13.301 -0.805 8.607 1.00 0.91 H new ATOM 2526 N THR A 161 10.064 -0.195 11.127 1.00 0.88 N ATOM 2527 CA THR A 161 9.213 0.964 11.456 1.00 0.94 C ATOM 2528 C THR A 161 10.030 2.215 11.755 1.00 1.11 C ATOM 2529 O THR A 161 9.829 3.248 11.123 1.00 1.38 O ATOM 2530 CB THR A 161 8.325 0.649 12.661 1.00 1.00 C ATOM 2531 OG1 THR A 161 7.564 -0.506 12.418 1.00 1.21 O ATOM 2532 CG2 THR A 161 7.352 1.795 12.928 1.00 1.24 C ATOM 0 H THR A 161 9.756 -1.054 11.582 1.00 0.88 H new ATOM 0 HA THR A 161 8.598 1.161 10.578 1.00 0.94 H new ATOM 0 HB THR A 161 8.979 0.502 13.520 1.00 1.00 H new ATOM 0 HG1 THR A 161 6.743 -0.262 11.942 1.00 1.21 H new ATOM 0 HG21 THR A 161 6.730 1.551 13.789 1.00 1.24 H new ATOM 0 HG22 THR A 161 7.912 2.708 13.132 1.00 1.24 H new ATOM 0 HG23 THR A 161 6.719 1.946 12.054 1.00 1.24 H new ATOM 2540 N ASP A 162 10.974 2.131 12.687 1.00 1.00 N ATOM 2541 CA ASP A 162 11.781 3.268 13.144 1.00 1.16 C ATOM 2542 C ASP A 162 12.725 3.790 12.041 1.00 1.46 C ATOM 2543 O ASP A 162 13.008 4.986 11.980 1.00 1.60 O ATOM 2544 CB ASP A 162 12.530 2.861 14.427 1.00 1.31 C ATOM 2545 CG ASP A 162 11.586 2.215 15.451 1.00 1.86 C ATOM 2546 OD1 ASP A 162 10.884 2.935 16.195 1.00 2.30 O ATOM 2547 OD2 ASP A 162 11.443 0.971 15.409 1.00 3.20 O ATOM 0 H ASP A 162 11.207 1.257 13.157 1.00 1.00 H new ATOM 0 HA ASP A 162 11.125 4.107 13.376 1.00 1.16 H new ATOM 0 HB2 ASP A 162 13.329 2.163 14.177 1.00 1.31 H new ATOM 0 HB3 ASP A 162 13.001 3.739 14.869 1.00 1.31 H new ATOM 2552 N ARG A 163 13.130 2.939 11.085 1.00 1.21 N ATOM 2553 CA ARG A 163 13.747 3.396 9.833 1.00 1.29 C ATOM 2554 C ARG A 163 12.740 4.074 8.897 1.00 1.36 C ATOM 2555 O ARG A 163 13.087 5.115 8.341 1.00 1.63 O ATOM 2556 CB ARG A 163 14.465 2.259 9.089 1.00 1.30 C ATOM 2557 CG ARG A 163 15.612 1.603 9.868 1.00 1.49 C ATOM 2558 CD ARG A 163 16.752 2.564 10.223 1.00 1.75 C ATOM 2559 NE ARG A 163 17.577 2.941 9.052 1.00 2.29 N ATOM 2560 CZ ARG A 163 17.447 4.007 8.265 1.00 3.68 C ATOM 2561 NH1 ARG A 163 16.539 4.939 8.463 1.00 4.22 N ATOM 2562 NH2 ARG A 163 18.245 4.143 7.232 1.00 5.05 N ATOM 0 H ARG A 163 13.040 1.926 11.158 1.00 1.21 H new ATOM 0 HA ARG A 163 14.490 4.137 10.128 1.00 1.29 H new ATOM 0 HB2 ARG A 163 13.733 1.493 8.833 1.00 1.30 H new ATOM 0 HB3 ARG A 163 14.859 2.650 8.151 1.00 1.30 H new ATOM 0 HG2 ARG A 163 15.214 1.172 10.787 1.00 1.49 H new ATOM 0 HG3 ARG A 163 16.015 0.780 9.278 1.00 1.49 H new ATOM 0 HD2 ARG A 163 16.334 3.465 10.671 1.00 1.75 H new ATOM 0 HD3 ARG A 163 17.390 2.100 10.976 1.00 1.75 H new ATOM 0 HE ARG A 163 18.340 2.305 8.820 1.00 2.29 H new ATOM 0 HH11 ARG A 163 15.894 4.863 9.249 1.00 4.22 H new ATOM 0 HH12 ARG A 163 16.481 5.737 7.830 1.00 4.22 H new ATOM 0 HH21 ARG A 163 18.955 3.436 7.039 1.00 5.05 H new ATOM 0 HH22 ARG A 163 18.155 4.955 6.622 1.00 5.05 H new ATOM 2576 N VAL A 164 11.524 3.533 8.749 1.00 1.22 N ATOM 2577 CA VAL A 164 10.454 4.144 7.933 1.00 1.26 C ATOM 2578 C VAL A 164 10.127 5.541 8.439 1.00 1.52 C ATOM 2579 O VAL A 164 10.076 6.433 7.608 1.00 1.70 O ATOM 2580 CB VAL A 164 9.146 3.312 7.838 1.00 1.15 C ATOM 2581 CG1 VAL A 164 7.973 4.101 7.205 1.00 1.26 C ATOM 2582 CG2 VAL A 164 9.397 2.048 7.002 1.00 1.27 C ATOM 0 H VAL A 164 11.249 2.656 9.191 1.00 1.22 H new ATOM 0 HA VAL A 164 10.862 4.182 6.923 1.00 1.26 H new ATOM 0 HB VAL A 164 8.862 3.058 8.859 1.00 1.15 H new ATOM 0 HG11 VAL A 164 7.087 3.467 7.166 1.00 1.26 H new ATOM 0 HG12 VAL A 164 7.761 4.984 7.808 1.00 1.26 H new ATOM 0 HG13 VAL A 164 8.244 4.408 6.195 1.00 1.26 H new ATOM 0 HG21 VAL A 164 8.478 1.466 6.937 1.00 1.27 H new ATOM 0 HG22 VAL A 164 9.718 2.332 6.000 1.00 1.27 H new ATOM 0 HG23 VAL A 164 10.174 1.447 7.475 1.00 1.27 H new ATOM 2592 N VAL A 165 9.949 5.761 9.751 1.00 1.22 N ATOM 2593 CA VAL A 165 9.611 7.100 10.279 1.00 1.18 C ATOM 2594 C VAL A 165 10.573 8.173 9.754 1.00 1.37 C ATOM 2595 O VAL A 165 10.115 9.228 9.343 1.00 1.47 O ATOM 2596 CB VAL A 165 9.557 7.146 11.824 1.00 1.11 C ATOM 2597 CG1 VAL A 165 9.334 8.572 12.373 1.00 1.15 C ATOM 2598 CG2 VAL A 165 8.414 6.255 12.341 1.00 1.25 C ATOM 0 H VAL A 165 10.032 5.037 10.465 1.00 1.22 H new ATOM 0 HA VAL A 165 8.607 7.316 9.913 1.00 1.18 H new ATOM 0 HB VAL A 165 10.526 6.788 12.173 1.00 1.11 H new ATOM 0 HG11 VAL A 165 9.305 8.542 13.462 1.00 1.15 H new ATOM 0 HG12 VAL A 165 10.150 9.218 12.049 1.00 1.15 H new ATOM 0 HG13 VAL A 165 8.389 8.964 11.995 1.00 1.15 H new ATOM 0 HG21 VAL A 165 8.385 6.295 13.430 1.00 1.25 H new ATOM 0 HG22 VAL A 165 7.465 6.611 11.940 1.00 1.25 H new ATOM 0 HG23 VAL A 165 8.581 5.227 12.020 1.00 1.25 H new ATOM 2608 N ALA A 166 11.884 7.913 9.699 1.00 1.18 N ATOM 2609 CA ALA A 166 12.895 8.858 9.213 1.00 1.21 C ATOM 2610 C ALA A 166 12.887 9.130 7.695 1.00 1.37 C ATOM 2611 O ALA A 166 13.335 10.203 7.297 1.00 1.63 O ATOM 2612 CB ALA A 166 14.254 8.290 9.632 1.00 1.24 C ATOM 0 H ALA A 166 12.280 7.021 9.997 1.00 1.18 H new ATOM 0 HA ALA A 166 12.671 9.830 9.653 1.00 1.21 H new ATOM 0 HB1 ALA A 166 15.047 8.957 9.294 1.00 1.24 H new ATOM 0 HB2 ALA A 166 14.292 8.202 10.718 1.00 1.24 H new ATOM 0 HB3 ALA A 166 14.391 7.306 9.183 1.00 1.24 H new ATOM 2618 N ASP A 167 12.386 8.207 6.868 1.00 1.09 N ATOM 2619 CA ASP A 167 12.190 8.373 5.424 1.00 1.12 C ATOM 2620 C ASP A 167 10.848 9.084 5.155 1.00 1.35 C ATOM 2621 O ASP A 167 10.774 10.080 4.437 1.00 1.29 O ATOM 2622 CB ASP A 167 12.232 6.950 4.833 1.00 1.24 C ATOM 2623 CG ASP A 167 12.193 6.894 3.308 1.00 1.41 C ATOM 2624 OD1 ASP A 167 11.132 7.242 2.757 1.00 2.42 O ATOM 2625 OD2 ASP A 167 13.180 6.396 2.717 1.00 2.19 O ATOM 0 H ASP A 167 12.094 7.287 7.199 1.00 1.09 H new ATOM 0 HA ASP A 167 12.957 8.995 4.963 1.00 1.12 H new ATOM 0 HB2 ASP A 167 13.139 6.454 5.179 1.00 1.24 H new ATOM 0 HB3 ASP A 167 11.389 6.382 5.226 1.00 1.24 H new ATOM 2630 N LEU A 168 9.803 8.626 5.849 1.00 1.14 N ATOM 2631 CA LEU A 168 8.425 9.133 5.852 1.00 1.21 C ATOM 2632 C LEU A 168 8.345 10.595 6.326 1.00 1.44 C ATOM 2633 O LEU A 168 7.514 11.365 5.852 1.00 1.60 O ATOM 2634 CB LEU A 168 7.628 8.149 6.730 1.00 1.54 C ATOM 2635 CG LEU A 168 6.116 8.363 6.899 1.00 1.42 C ATOM 2636 CD1 LEU A 168 5.369 8.478 5.563 1.00 2.12 C ATOM 2637 CD2 LEU A 168 5.525 7.214 7.730 1.00 3.22 C ATOM 0 H LEU A 168 9.905 7.827 6.474 1.00 1.14 H new ATOM 0 HA LEU A 168 8.002 9.172 4.848 1.00 1.21 H new ATOM 0 HB2 LEU A 168 7.776 7.149 6.322 1.00 1.54 H new ATOM 0 HB3 LEU A 168 8.075 8.157 7.724 1.00 1.54 H new ATOM 0 HG LEU A 168 5.984 9.315 7.414 1.00 1.42 H new ATOM 0 HD11 LEU A 168 4.306 8.628 5.752 1.00 2.12 H new ATOM 0 HD12 LEU A 168 5.760 9.325 4.999 1.00 2.12 H new ATOM 0 HD13 LEU A 168 5.510 7.563 4.988 1.00 2.12 H new ATOM 0 HD21 LEU A 168 4.452 7.366 7.850 1.00 3.22 H new ATOM 0 HD22 LEU A 168 5.703 6.267 7.220 1.00 3.22 H new ATOM 0 HD23 LEU A 168 6.000 7.192 8.711 1.00 3.22 H new ATOM 2649 N GLN A 169 9.266 10.994 7.199 1.00 1.07 N ATOM 2650 CA GLN A 169 9.505 12.369 7.648 1.00 1.09 C ATOM 2651 C GLN A 169 9.899 13.326 6.506 1.00 1.44 C ATOM 2652 O GLN A 169 9.578 14.506 6.598 1.00 1.55 O ATOM 2653 CB GLN A 169 10.585 12.303 8.749 1.00 1.24 C ATOM 2654 CG GLN A 169 9.983 12.042 10.137 1.00 1.41 C ATOM 2655 CD GLN A 169 9.478 13.303 10.816 1.00 1.58 C ATOM 2656 OE1 GLN A 169 8.332 13.688 10.693 1.00 2.42 O ATOM 2657 NE2 GLN A 169 10.300 13.979 11.587 1.00 2.01 N ATOM 0 H GLN A 169 9.904 10.331 7.639 1.00 1.07 H new ATOM 0 HA GLN A 169 8.578 12.790 8.039 1.00 1.09 H new ATOM 0 HB2 GLN A 169 11.298 11.514 8.510 1.00 1.24 H new ATOM 0 HB3 GLN A 169 11.141 13.240 8.767 1.00 1.24 H new ATOM 0 HG2 GLN A 169 9.160 11.334 10.042 1.00 1.41 H new ATOM 0 HG3 GLN A 169 10.736 11.573 10.770 1.00 1.41 H new ATOM 0 HE21 GLN A 169 11.265 13.668 11.700 1.00 2.01 H new ATOM 0 HE22 GLN A 169 9.973 14.814 12.072 1.00 2.01 H new ATOM 2666 N ALA A 170 10.572 12.862 5.444 1.00 1.23 N ATOM 2667 CA ALA A 170 10.722 13.626 4.194 1.00 1.55 C ATOM 2668 C ALA A 170 9.474 13.632 3.280 1.00 1.81 C ATOM 2669 O ALA A 170 9.320 14.517 2.436 1.00 2.31 O ATOM 2670 CB ALA A 170 11.918 13.051 3.440 1.00 1.72 C ATOM 0 H ALA A 170 11.027 11.949 5.425 1.00 1.23 H new ATOM 0 HA ALA A 170 10.868 14.670 4.470 1.00 1.55 H new ATOM 0 HB1 ALA A 170 12.056 13.597 2.507 1.00 1.72 H new ATOM 0 HB2 ALA A 170 12.814 13.147 4.053 1.00 1.72 H new ATOM 0 HB3 ALA A 170 11.738 11.998 3.222 1.00 1.72 H new ATOM 2676 N LEU A 171 8.636 12.595 3.383 1.00 1.53 N ATOM 2677 CA LEU A 171 7.490 12.338 2.500 1.00 1.83 C ATOM 2678 C LEU A 171 6.197 13.037 2.949 1.00 2.09 C ATOM 2679 O LEU A 171 5.307 13.231 2.116 1.00 2.31 O ATOM 2680 CB LEU A 171 7.273 10.816 2.415 1.00 1.85 C ATOM 2681 CG LEU A 171 8.376 10.049 1.657 1.00 1.67 C ATOM 2682 CD1 LEU A 171 8.251 8.547 1.957 1.00 1.97 C ATOM 2683 CD2 LEU A 171 8.261 10.322 0.149 1.00 2.19 C ATOM 0 H LEU A 171 8.740 11.886 4.109 1.00 1.53 H new ATOM 0 HA LEU A 171 7.726 12.757 1.522 1.00 1.83 H new ATOM 0 HB2 LEU A 171 7.201 10.416 3.426 1.00 1.85 H new ATOM 0 HB3 LEU A 171 6.317 10.626 1.928 1.00 1.85 H new ATOM 0 HG LEU A 171 9.357 10.390 1.989 1.00 1.67 H new ATOM 0 HD11 LEU A 171 9.030 8.003 1.422 1.00 1.97 H new ATOM 0 HD12 LEU A 171 8.362 8.379 3.028 1.00 1.97 H new ATOM 0 HD13 LEU A 171 7.273 8.192 1.634 1.00 1.97 H new ATOM 0 HD21 LEU A 171 9.043 9.777 -0.380 1.00 2.19 H new ATOM 0 HD22 LEU A 171 7.285 9.993 -0.207 1.00 2.19 H new ATOM 0 HD23 LEU A 171 8.374 11.390 -0.037 1.00 2.19 H new ATOM 2695 N LEU A 172 6.098 13.429 4.222 1.00 1.96 N ATOM 2696 CA LEU A 172 4.945 14.143 4.816 1.00 1.94 C ATOM 2697 C LEU A 172 4.663 15.554 4.263 1.00 1.95 C ATOM 2698 O LEU A 172 5.569 16.256 3.769 1.00 2.06 O ATOM 2699 CB LEU A 172 5.080 14.126 6.355 1.00 2.31 C ATOM 2700 CG LEU A 172 4.624 12.803 6.997 1.00 3.29 C ATOM 2701 CD1 LEU A 172 5.092 12.743 8.448 1.00 3.85 C ATOM 2702 CD2 LEU A 172 3.097 12.663 6.992 1.00 3.76 C ATOM 2703 OXT LEU A 172 3.472 15.935 4.260 1.00 3.06 O ATOM 0 H LEU A 172 6.841 13.256 4.899 1.00 1.96 H new ATOM 0 HA LEU A 172 4.055 13.593 4.508 1.00 1.94 H new ATOM 0 HB2 LEU A 172 6.120 14.311 6.623 1.00 2.31 H new ATOM 0 HB3 LEU A 172 4.493 14.944 6.772 1.00 2.31 H new ATOM 0 HG LEU A 172 5.060 11.995 6.409 1.00 3.29 H new ATOM 0 HD11 LEU A 172 4.766 11.805 8.897 1.00 3.85 H new ATOM 0 HD12 LEU A 172 6.180 12.803 8.482 1.00 3.85 H new ATOM 0 HD13 LEU A 172 4.665 13.578 9.003 1.00 3.85 H new ATOM 0 HD21 LEU A 172 2.817 11.716 7.454 1.00 3.76 H new ATOM 0 HD22 LEU A 172 2.654 13.486 7.554 1.00 3.76 H new ATOM 0 HD23 LEU A 172 2.733 12.688 5.965 1.00 3.76 H new