USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 656 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 81 HIS : no HD1:sc= 0.0893 K(o=0.054,f=-2.3) USER MOD Set 1.2: A 124 TYR OH : rot 120:sc= -0.0356 USER MOD Set 2.1: A 106 CYS SG : rot 152:sc= 1.17 USER MOD Set 2.2: A 110 SER OG : rot 80:sc= 1.01 USER MOD Single : A 60 LYS NZ :NH3+ -132:sc= -0.22 (180deg=-5.03!) USER MOD Single : A 63 ASN : amide:sc= -3.89! C(o=-3.9!,f=-11!) USER MOD Single : A 65 LYS NZ :NH3+ -170:sc= -0.0117 (180deg=-0.113) USER MOD Single : A 74 CYS SG : rot 62:sc= -1.27 USER MOD Single : A 75 LYS NZ :NH3+ 170:sc= 1.29 (180deg=1.13) USER MOD Single : A 76 MET CE :methyl 171:sc= -3.41! (180deg=-3.91!) USER MOD Single : A 77 GLN : amide:sc= -1.64! C(o=-1.6!,f=-2.9!) USER MOD Single : A 78 THR OG1 : rot -28:sc= 1.13 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.186 K(o=-0.19,f=-11!) USER MOD Single : A 92 GLN : amide:sc= -0.791 K(o=-0.79,f=-7.3!) USER MOD Single : A 93 GLN : amide:sc= -0.536 X(o=-0.54,f=-0.39) USER MOD Single : A 96 HIS : no HD1:sc= -2.13! C(o=-2.1!,f=-8!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot -32:sc= 0.0768 USER MOD Single : A 107 ASN : amide:sc=-0.00872 X(o=-0.0087,f=-0.4) USER MOD Single : A 114 SER OG : rot 78:sc= 1.2 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 TYR OH : rot -23:sc= -3.96! USER MOD Single : A 128 ASN : amide:sc= 0.715 K(o=0.72,f=-0.57) USER MOD Single : A 131 CYS SG : rot 139:sc= -0.238! USER MOD Single : A 132 THR OG1 : rot 74:sc= 1.32 USER MOD Single : A 135 LYS NZ :NH3+ -159:sc= -0.221 (180deg=-0.811) USER MOD Single : A 137 HIS : no HD1:sc= -1.66 K(o=-1.7,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 138 N LYS A 60 -10.498 -4.080 4.567 1.00 0.29 N ATOM 139 CA LYS A 60 -9.867 -3.124 5.474 1.00 0.29 C ATOM 140 C LYS A 60 -8.781 -3.814 6.289 1.00 0.25 C ATOM 141 O LYS A 60 -7.633 -3.394 6.280 1.00 0.26 O ATOM 142 CB LYS A 60 -10.942 -2.514 6.398 1.00 0.37 C ATOM 143 CG LYS A 60 -10.440 -1.464 7.384 1.00 0.57 C ATOM 144 CD LYS A 60 -9.725 -2.086 8.565 1.00 0.43 C ATOM 145 CE LYS A 60 -9.354 -1.041 9.590 1.00 0.76 C ATOM 146 NZ LYS A 60 -8.575 0.073 8.987 1.00 1.62 N ATOM 0 HA LYS A 60 -9.401 -2.325 4.898 1.00 0.29 H new ATOM 0 HB2 LYS A 60 -11.717 -2.064 5.777 1.00 0.37 H new ATOM 0 HB3 LYS A 60 -11.413 -3.320 6.961 1.00 0.37 H new ATOM 0 HG2 LYS A 60 -9.764 -0.780 6.871 1.00 0.57 H new ATOM 0 HG3 LYS A 60 -11.282 -0.872 7.742 1.00 0.57 H new ATOM 0 HD2 LYS A 60 -10.364 -2.840 9.025 1.00 0.43 H new ATOM 0 HD3 LYS A 60 -8.826 -2.597 8.221 1.00 0.43 H new ATOM 0 HE2 LYS A 60 -10.260 -0.644 10.049 1.00 0.76 H new ATOM 0 HE3 LYS A 60 -8.770 -1.504 10.386 1.00 0.76 H new ATOM 0 HZ1 LYS A 60 -7.738 0.268 9.572 1.00 1.62 H new ATOM 0 HZ2 LYS A 60 -8.273 -0.194 8.028 1.00 1.62 H new ATOM 0 HZ3 LYS A 60 -9.169 0.925 8.938 1.00 1.62 H new ATOM 160 N LEU A 61 -9.150 -4.889 6.970 1.00 0.25 N ATOM 161 CA LEU A 61 -8.198 -5.645 7.760 1.00 0.25 C ATOM 162 C LEU A 61 -7.049 -6.129 6.909 1.00 0.26 C ATOM 163 O LEU A 61 -5.884 -5.973 7.271 1.00 0.30 O ATOM 164 CB LEU A 61 -8.871 -6.836 8.408 1.00 0.30 C ATOM 165 CG LEU A 61 -8.937 -6.772 9.930 1.00 0.36 C ATOM 166 CD1 LEU A 61 -9.207 -8.152 10.509 1.00 0.66 C ATOM 167 CD2 LEU A 61 -7.658 -6.162 10.504 1.00 0.63 C ATOM 0 H LEU A 61 -10.102 -5.255 6.989 1.00 0.25 H new ATOM 0 HA LEU A 61 -7.812 -4.980 8.532 1.00 0.25 H new ATOM 0 HB2 LEU A 61 -9.884 -6.923 8.016 1.00 0.30 H new ATOM 0 HB3 LEU A 61 -8.338 -7.741 8.117 1.00 0.30 H new ATOM 0 HG LEU A 61 -9.765 -6.123 10.215 1.00 0.36 H new ATOM 0 HD11 LEU A 61 -9.251 -8.088 11.596 1.00 0.66 H new ATOM 0 HD12 LEU A 61 -10.157 -8.527 10.129 1.00 0.66 H new ATOM 0 HD13 LEU A 61 -8.406 -8.832 10.218 1.00 0.66 H new ATOM 0 HD21 LEU A 61 -7.728 -6.126 11.591 1.00 0.63 H new ATOM 0 HD22 LEU A 61 -6.802 -6.772 10.215 1.00 0.63 H new ATOM 0 HD23 LEU A 61 -7.531 -5.152 10.115 1.00 0.63 H new ATOM 179 N GLU A 62 -7.396 -6.733 5.791 1.00 0.25 N ATOM 180 CA GLU A 62 -6.432 -7.179 4.831 1.00 0.29 C ATOM 181 C GLU A 62 -5.483 -6.068 4.445 1.00 0.23 C ATOM 182 O GLU A 62 -4.278 -6.207 4.602 1.00 0.20 O ATOM 183 CB GLU A 62 -7.169 -7.714 3.619 1.00 0.39 C ATOM 184 CG GLU A 62 -7.148 -9.213 3.580 1.00 0.63 C ATOM 185 CD GLU A 62 -8.040 -9.796 2.511 1.00 1.48 C ATOM 186 OE1 GLU A 62 -9.238 -9.998 2.775 1.00 1.98 O ATOM 187 OE2 GLU A 62 -7.549 -10.042 1.391 1.00 2.20 O ATOM 0 H GLU A 62 -8.363 -6.925 5.530 1.00 0.25 H new ATOM 0 HA GLU A 62 -5.825 -7.971 5.270 1.00 0.29 H new ATOM 0 HB2 GLU A 62 -8.201 -7.364 3.636 1.00 0.39 H new ATOM 0 HB3 GLU A 62 -6.713 -7.319 2.711 1.00 0.39 H new ATOM 0 HG2 GLU A 62 -6.125 -9.551 3.414 1.00 0.63 H new ATOM 0 HG3 GLU A 62 -7.457 -9.599 4.551 1.00 0.63 H new ATOM 194 N ASN A 63 -6.026 -4.958 3.992 1.00 0.22 N ATOM 195 CA ASN A 63 -5.221 -3.891 3.449 1.00 0.19 C ATOM 196 C ASN A 63 -4.376 -3.235 4.518 1.00 0.15 C ATOM 197 O ASN A 63 -3.218 -2.914 4.279 1.00 0.16 O ATOM 198 CB ASN A 63 -6.118 -2.873 2.770 1.00 0.21 C ATOM 199 CG ASN A 63 -6.757 -3.442 1.525 1.00 0.27 C ATOM 200 OD1 ASN A 63 -6.191 -4.308 0.882 1.00 0.33 O ATOM 201 ND2 ASN A 63 -7.940 -2.966 1.187 1.00 0.27 N ATOM 0 H ASN A 63 -7.029 -4.773 3.990 1.00 0.22 H new ATOM 0 HA ASN A 63 -4.537 -4.314 2.713 1.00 0.19 H new ATOM 0 HB2 ASN A 63 -6.894 -2.550 3.464 1.00 0.21 H new ATOM 0 HB3 ASN A 63 -5.535 -1.989 2.510 1.00 0.21 H new ATOM 0 HD21 ASN A 63 -8.416 -3.324 0.359 1.00 0.27 H new ATOM 0 HD22 ASN A 63 -8.379 -2.240 1.754 1.00 0.27 H new ATOM 208 N GLU A 64 -4.956 -3.038 5.689 1.00 0.15 N ATOM 209 CA GLU A 64 -4.223 -2.611 6.845 1.00 0.16 C ATOM 210 C GLU A 64 -3.018 -3.494 7.079 1.00 0.14 C ATOM 211 O GLU A 64 -1.878 -3.041 7.044 1.00 0.17 O ATOM 212 CB GLU A 64 -5.146 -2.711 8.017 1.00 0.21 C ATOM 213 CG GLU A 64 -5.853 -1.427 8.305 1.00 0.30 C ATOM 214 CD GLU A 64 -6.169 -0.569 7.104 1.00 1.20 C ATOM 215 OE1 GLU A 64 -5.307 0.242 6.723 1.00 1.77 O ATOM 216 OE2 GLU A 64 -7.305 -0.638 6.603 1.00 1.75 O ATOM 0 H GLU A 64 -5.953 -3.173 5.855 1.00 0.15 H new ATOM 0 HA GLU A 64 -3.866 -1.591 6.703 1.00 0.16 H new ATOM 0 HB2 GLU A 64 -5.882 -3.492 7.829 1.00 0.21 H new ATOM 0 HB3 GLU A 64 -4.578 -3.014 8.897 1.00 0.21 H new ATOM 0 HG2 GLU A 64 -6.786 -1.655 8.821 1.00 0.30 H new ATOM 0 HG3 GLU A 64 -5.242 -0.844 8.994 1.00 0.30 H new ATOM 223 N LYS A 65 -3.306 -4.769 7.269 1.00 0.13 N ATOM 224 CA LYS A 65 -2.318 -5.757 7.597 1.00 0.14 C ATOM 225 C LYS A 65 -1.272 -5.870 6.510 1.00 0.12 C ATOM 226 O LYS A 65 -0.082 -5.762 6.774 1.00 0.14 O ATOM 227 CB LYS A 65 -3.031 -7.083 7.755 1.00 0.20 C ATOM 228 CG LYS A 65 -2.408 -7.987 8.782 1.00 0.44 C ATOM 229 CD LYS A 65 -1.303 -8.858 8.201 1.00 0.86 C ATOM 230 CE LYS A 65 -1.821 -9.794 7.115 1.00 1.32 C ATOM 231 NZ LYS A 65 -2.836 -10.747 7.634 1.00 1.93 N ATOM 0 H LYS A 65 -4.252 -5.144 7.196 1.00 0.13 H new ATOM 0 HA LYS A 65 -1.807 -5.471 8.517 1.00 0.14 H new ATOM 0 HB2 LYS A 65 -4.069 -6.896 8.030 1.00 0.20 H new ATOM 0 HB3 LYS A 65 -3.044 -7.595 6.793 1.00 0.20 H new ATOM 0 HG2 LYS A 65 -2.001 -7.383 9.593 1.00 0.44 H new ATOM 0 HG3 LYS A 65 -3.179 -8.625 9.215 1.00 0.44 H new ATOM 0 HD2 LYS A 65 -0.520 -8.222 7.788 1.00 0.86 H new ATOM 0 HD3 LYS A 65 -0.848 -9.446 8.999 1.00 0.86 H new ATOM 0 HE2 LYS A 65 -2.257 -9.205 6.308 1.00 1.32 H new ATOM 0 HE3 LYS A 65 -0.986 -10.351 6.689 1.00 1.32 H new ATOM 0 HZ1 LYS A 65 -3.035 -11.469 6.912 1.00 1.93 H new ATOM 0 HZ2 LYS A 65 -2.473 -11.207 8.493 1.00 1.93 H new ATOM 0 HZ3 LYS A 65 -3.711 -10.233 7.860 1.00 1.93 H new ATOM 245 N LEU A 66 -1.737 -6.103 5.294 1.00 0.11 N ATOM 246 CA LEU A 66 -0.868 -6.215 4.133 1.00 0.10 C ATOM 247 C LEU A 66 0.031 -4.995 4.033 1.00 0.08 C ATOM 248 O LEU A 66 1.228 -5.110 3.781 1.00 0.08 O ATOM 249 CB LEU A 66 -1.706 -6.353 2.864 1.00 0.10 C ATOM 250 CG LEU A 66 -2.568 -7.612 2.778 1.00 0.14 C ATOM 251 CD1 LEU A 66 -3.485 -7.540 1.572 1.00 0.18 C ATOM 252 CD2 LEU A 66 -1.677 -8.830 2.699 1.00 0.17 C ATOM 0 H LEU A 66 -2.728 -6.220 5.083 1.00 0.11 H new ATOM 0 HA LEU A 66 -0.245 -7.103 4.244 1.00 0.10 H new ATOM 0 HB2 LEU A 66 -2.357 -5.482 2.783 1.00 0.10 H new ATOM 0 HB3 LEU A 66 -1.037 -6.332 2.004 1.00 0.10 H new ATOM 0 HG LEU A 66 -3.188 -7.686 3.671 1.00 0.14 H new ATOM 0 HD11 LEU A 66 -4.093 -8.443 1.523 1.00 0.18 H new ATOM 0 HD12 LEU A 66 -4.135 -6.669 1.660 1.00 0.18 H new ATOM 0 HD13 LEU A 66 -2.887 -7.456 0.665 1.00 0.18 H new ATOM 0 HD21 LEU A 66 -2.292 -9.728 2.638 1.00 0.17 H new ATOM 0 HD22 LEU A 66 -1.045 -8.762 1.813 1.00 0.17 H new ATOM 0 HD23 LEU A 66 -1.050 -8.880 3.589 1.00 0.17 H new ATOM 264 N PHE A 67 -0.557 -3.828 4.254 1.00 0.07 N ATOM 265 CA PHE A 67 0.191 -2.591 4.268 1.00 0.06 C ATOM 266 C PHE A 67 1.288 -2.636 5.321 1.00 0.06 C ATOM 267 O PHE A 67 2.430 -2.307 5.035 1.00 0.07 O ATOM 268 CB PHE A 67 -0.732 -1.405 4.528 1.00 0.08 C ATOM 269 CG PHE A 67 -0.006 -0.103 4.524 1.00 0.08 C ATOM 270 CD1 PHE A 67 0.782 0.233 3.448 1.00 0.08 C ATOM 271 CD2 PHE A 67 -0.103 0.771 5.590 1.00 0.12 C ATOM 272 CE1 PHE A 67 1.476 1.428 3.427 1.00 0.08 C ATOM 273 CE2 PHE A 67 0.581 1.966 5.577 1.00 0.12 C ATOM 274 CZ PHE A 67 1.371 2.294 4.491 1.00 0.09 C ATOM 0 H PHE A 67 -1.556 -3.718 4.426 1.00 0.07 H new ATOM 0 HA PHE A 67 0.652 -2.467 3.288 1.00 0.06 H new ATOM 0 HB2 PHE A 67 -1.513 -1.384 3.768 1.00 0.08 H new ATOM 0 HB3 PHE A 67 -1.227 -1.538 5.490 1.00 0.08 H new ATOM 0 HD1 PHE A 67 0.859 -0.444 2.610 1.00 0.08 H new ATOM 0 HD2 PHE A 67 -0.719 0.515 6.439 1.00 0.12 H new ATOM 0 HE1 PHE A 67 2.097 1.681 2.580 1.00 0.08 H new ATOM 0 HE2 PHE A 67 0.501 2.645 6.413 1.00 0.12 H new ATOM 0 HZ PHE A 67 1.907 3.232 4.478 1.00 0.09 H new ATOM 284 N GLU A 68 0.937 -3.049 6.531 1.00 0.08 N ATOM 285 CA GLU A 68 1.915 -3.162 7.612 1.00 0.09 C ATOM 286 C GLU A 68 2.971 -4.187 7.259 1.00 0.10 C ATOM 287 O GLU A 68 4.149 -3.976 7.496 1.00 0.12 O ATOM 288 CB GLU A 68 1.250 -3.583 8.922 1.00 0.14 C ATOM 289 CG GLU A 68 -0.008 -2.817 9.240 1.00 0.21 C ATOM 290 CD GLU A 68 -0.530 -3.090 10.634 1.00 0.87 C ATOM 291 OE1 GLU A 68 -1.005 -4.217 10.887 1.00 1.47 O ATOM 292 OE2 GLU A 68 -0.472 -2.178 11.486 1.00 1.19 O ATOM 0 H GLU A 68 -0.014 -3.311 6.791 1.00 0.08 H new ATOM 0 HA GLU A 68 2.371 -2.180 7.741 1.00 0.09 H new ATOM 0 HB2 GLU A 68 1.014 -4.646 8.873 1.00 0.14 H new ATOM 0 HB3 GLU A 68 1.961 -3.451 9.738 1.00 0.14 H new ATOM 0 HG2 GLU A 68 0.186 -1.750 9.133 1.00 0.21 H new ATOM 0 HG3 GLU A 68 -0.778 -3.075 8.513 1.00 0.21 H new ATOM 299 N GLU A 69 2.535 -5.288 6.669 1.00 0.10 N ATOM 300 CA GLU A 69 3.434 -6.374 6.300 1.00 0.12 C ATOM 301 C GLU A 69 4.471 -5.872 5.311 1.00 0.11 C ATOM 302 O GLU A 69 5.631 -6.281 5.334 1.00 0.14 O ATOM 303 CB GLU A 69 2.635 -7.513 5.676 1.00 0.15 C ATOM 304 CG GLU A 69 1.744 -8.241 6.656 1.00 0.25 C ATOM 305 CD GLU A 69 2.434 -9.425 7.298 1.00 0.81 C ATOM 306 OE1 GLU A 69 3.366 -9.217 8.093 1.00 1.21 O ATOM 307 OE2 GLU A 69 2.053 -10.574 6.991 1.00 1.34 O ATOM 0 H GLU A 69 1.557 -5.456 6.433 1.00 0.10 H new ATOM 0 HA GLU A 69 3.941 -6.738 7.194 1.00 0.12 H new ATOM 0 HB2 GLU A 69 2.021 -7.114 4.868 1.00 0.15 H new ATOM 0 HB3 GLU A 69 3.326 -8.227 5.228 1.00 0.15 H new ATOM 0 HG2 GLU A 69 1.421 -7.548 7.433 1.00 0.25 H new ATOM 0 HG3 GLU A 69 0.846 -8.583 6.141 1.00 0.25 H new ATOM 314 N PHE A 70 4.026 -4.978 4.448 1.00 0.09 N ATOM 315 CA PHE A 70 4.867 -4.379 3.456 1.00 0.09 C ATOM 316 C PHE A 70 5.683 -3.254 4.088 1.00 0.08 C ATOM 317 O PHE A 70 6.864 -3.087 3.802 1.00 0.10 O ATOM 318 CB PHE A 70 3.992 -3.855 2.326 1.00 0.09 C ATOM 319 CG PHE A 70 4.748 -3.228 1.208 1.00 0.09 C ATOM 320 CD1 PHE A 70 5.068 -1.896 1.272 1.00 0.12 C ATOM 321 CD2 PHE A 70 5.128 -3.962 0.099 1.00 0.11 C ATOM 322 CE1 PHE A 70 5.761 -1.289 0.253 1.00 0.14 C ATOM 323 CE2 PHE A 70 5.826 -3.362 -0.932 1.00 0.13 C ATOM 324 CZ PHE A 70 6.144 -2.021 -0.854 1.00 0.13 C ATOM 0 H PHE A 70 3.060 -4.651 4.424 1.00 0.09 H new ATOM 0 HA PHE A 70 5.563 -5.114 3.052 1.00 0.09 H new ATOM 0 HB2 PHE A 70 3.397 -4.678 1.931 1.00 0.09 H new ATOM 0 HB3 PHE A 70 3.293 -3.124 2.732 1.00 0.09 H new ATOM 0 HD1 PHE A 70 4.772 -1.317 2.134 1.00 0.12 H new ATOM 0 HD2 PHE A 70 4.878 -5.011 0.038 1.00 0.11 H new ATOM 0 HE1 PHE A 70 6.006 -0.239 0.317 1.00 0.14 H new ATOM 0 HE2 PHE A 70 6.121 -3.940 -1.795 1.00 0.13 H new ATOM 0 HZ PHE A 70 6.690 -1.546 -1.655 1.00 0.13 H new ATOM 334 N LEU A 71 5.021 -2.473 4.935 1.00 0.07 N ATOM 335 CA LEU A 71 5.643 -1.373 5.646 1.00 0.08 C ATOM 336 C LEU A 71 6.798 -1.826 6.531 1.00 0.08 C ATOM 337 O LEU A 71 7.905 -1.296 6.438 1.00 0.09 O ATOM 338 CB LEU A 71 4.609 -0.641 6.485 1.00 0.09 C ATOM 339 CG LEU A 71 4.119 0.656 5.867 1.00 0.10 C ATOM 340 CD1 LEU A 71 3.624 1.608 6.922 1.00 0.12 C ATOM 341 CD2 LEU A 71 5.227 1.293 5.077 1.00 0.10 C ATOM 0 H LEU A 71 4.030 -2.590 5.146 1.00 0.07 H new ATOM 0 HA LEU A 71 6.055 -0.701 4.893 1.00 0.08 H new ATOM 0 HB2 LEU A 71 3.756 -1.299 6.647 1.00 0.09 H new ATOM 0 HB3 LEU A 71 5.037 -0.426 7.464 1.00 0.09 H new ATOM 0 HG LEU A 71 3.286 0.426 5.203 1.00 0.10 H new ATOM 0 HD11 LEU A 71 3.280 2.528 6.449 1.00 0.12 H new ATOM 0 HD12 LEU A 71 2.799 1.150 7.468 1.00 0.12 H new ATOM 0 HD13 LEU A 71 4.434 1.837 7.614 1.00 0.12 H new ATOM 0 HD21 LEU A 71 4.871 2.224 4.635 1.00 0.10 H new ATOM 0 HD22 LEU A 71 6.069 1.503 5.736 1.00 0.10 H new ATOM 0 HD23 LEU A 71 5.546 0.615 4.286 1.00 0.10 H new ATOM 353 N GLU A 72 6.522 -2.780 7.410 1.00 0.08 N ATOM 354 CA GLU A 72 7.558 -3.372 8.262 1.00 0.11 C ATOM 355 C GLU A 72 8.679 -3.906 7.398 1.00 0.09 C ATOM 356 O GLU A 72 9.858 -3.740 7.703 1.00 0.12 O ATOM 357 CB GLU A 72 6.995 -4.505 9.113 1.00 0.19 C ATOM 358 CG GLU A 72 5.792 -4.085 9.914 1.00 0.26 C ATOM 359 CD GLU A 72 6.108 -3.040 10.962 1.00 0.59 C ATOM 360 OE1 GLU A 72 6.519 -3.416 12.075 1.00 0.89 O ATOM 361 OE2 GLU A 72 5.966 -1.833 10.672 1.00 1.13 O ATOM 0 H GLU A 72 5.589 -3.165 7.556 1.00 0.08 H new ATOM 0 HA GLU A 72 7.934 -2.595 8.928 1.00 0.11 H new ATOM 0 HB2 GLU A 72 6.723 -5.339 8.466 1.00 0.19 H new ATOM 0 HB3 GLU A 72 7.770 -4.865 9.790 1.00 0.19 H new ATOM 0 HG2 GLU A 72 5.032 -3.694 9.238 1.00 0.26 H new ATOM 0 HG3 GLU A 72 5.364 -4.961 10.401 1.00 0.26 H new ATOM 368 N LEU A 73 8.284 -4.551 6.311 1.00 0.10 N ATOM 369 CA LEU A 73 9.223 -5.007 5.296 1.00 0.11 C ATOM 370 C LEU A 73 10.089 -3.855 4.818 1.00 0.10 C ATOM 371 O LEU A 73 11.309 -3.969 4.789 1.00 0.12 O ATOM 372 CB LEU A 73 8.466 -5.604 4.111 1.00 0.14 C ATOM 373 CG LEU A 73 9.330 -6.022 2.925 1.00 0.20 C ATOM 374 CD1 LEU A 73 9.950 -7.385 3.159 1.00 0.49 C ATOM 375 CD2 LEU A 73 8.516 -6.015 1.645 1.00 0.46 C ATOM 0 H LEU A 73 7.309 -4.772 6.108 1.00 0.10 H new ATOM 0 HA LEU A 73 9.863 -5.771 5.737 1.00 0.11 H new ATOM 0 HB2 LEU A 73 7.910 -6.475 4.458 1.00 0.14 H new ATOM 0 HB3 LEU A 73 7.733 -4.875 3.766 1.00 0.14 H new ATOM 0 HG LEU A 73 10.139 -5.298 2.823 1.00 0.20 H new ATOM 0 HD11 LEU A 73 10.561 -7.659 2.299 1.00 0.49 H new ATOM 0 HD12 LEU A 73 10.574 -7.352 4.052 1.00 0.49 H new ATOM 0 HD13 LEU A 73 9.161 -8.125 3.295 1.00 0.49 H new ATOM 0 HD21 LEU A 73 9.149 -6.316 0.810 1.00 0.46 H new ATOM 0 HD22 LEU A 73 7.684 -6.713 1.739 1.00 0.46 H new ATOM 0 HD23 LEU A 73 8.130 -5.012 1.465 1.00 0.46 H new ATOM 387 N CYS A 74 9.461 -2.741 4.464 1.00 0.09 N ATOM 388 CA CYS A 74 10.204 -1.575 4.007 1.00 0.10 C ATOM 389 C CYS A 74 11.189 -1.123 5.073 1.00 0.11 C ATOM 390 O CYS A 74 12.343 -0.890 4.772 1.00 0.14 O ATOM 391 CB CYS A 74 9.274 -0.428 3.624 1.00 0.10 C ATOM 392 SG CYS A 74 8.133 -0.846 2.298 1.00 0.11 S ATOM 0 H CYS A 74 8.448 -2.621 4.484 1.00 0.09 H new ATOM 0 HA CYS A 74 10.756 -1.866 3.113 1.00 0.10 H new ATOM 0 HB2 CYS A 74 8.704 -0.124 4.502 1.00 0.10 H new ATOM 0 HB3 CYS A 74 9.874 0.430 3.320 1.00 0.10 H new ATOM 0 HG CYS A 74 7.365 -1.823 2.679 1.00 0.11 H new ATOM 398 N LYS A 75 10.760 -1.079 6.333 1.00 0.11 N ATOM 399 CA LYS A 75 11.649 -0.694 7.425 1.00 0.12 C ATOM 400 C LYS A 75 12.873 -1.609 7.477 1.00 0.13 C ATOM 401 O LYS A 75 13.904 -1.263 8.053 1.00 0.16 O ATOM 402 CB LYS A 75 10.904 -0.770 8.751 1.00 0.13 C ATOM 403 CG LYS A 75 9.712 0.149 8.846 1.00 0.18 C ATOM 404 CD LYS A 75 8.950 -0.123 10.120 1.00 0.20 C ATOM 405 CE LYS A 75 7.713 0.740 10.229 1.00 0.30 C ATOM 406 NZ LYS A 75 6.955 0.452 11.474 1.00 0.32 N ATOM 0 H LYS A 75 9.808 -1.304 6.621 1.00 0.11 H new ATOM 0 HA LYS A 75 11.983 0.329 7.249 1.00 0.12 H new ATOM 0 HB2 LYS A 75 10.571 -1.796 8.909 1.00 0.13 H new ATOM 0 HB3 LYS A 75 11.597 -0.532 9.558 1.00 0.13 H new ATOM 0 HG2 LYS A 75 10.041 1.188 8.824 1.00 0.18 H new ATOM 0 HG3 LYS A 75 9.060 0.003 7.985 1.00 0.18 H new ATOM 0 HD2 LYS A 75 8.664 -1.174 10.155 1.00 0.20 H new ATOM 0 HD3 LYS A 75 9.598 0.060 10.977 1.00 0.20 H new ATOM 0 HE2 LYS A 75 7.999 1.792 10.211 1.00 0.30 H new ATOM 0 HE3 LYS A 75 7.072 0.570 9.364 1.00 0.30 H new ATOM 0 HZ1 LYS A 75 6.213 1.170 11.603 1.00 0.32 H new ATOM 0 HZ2 LYS A 75 6.518 -0.489 11.404 1.00 0.32 H new ATOM 0 HZ3 LYS A 75 7.603 0.474 12.288 1.00 0.32 H new ATOM 420 N MET A 76 12.743 -2.778 6.868 1.00 0.12 N ATOM 421 CA MET A 76 13.811 -3.758 6.845 1.00 0.13 C ATOM 422 C MET A 76 14.724 -3.562 5.634 1.00 0.14 C ATOM 423 O MET A 76 15.942 -3.703 5.749 1.00 0.16 O ATOM 424 CB MET A 76 13.217 -5.171 6.854 1.00 0.14 C ATOM 425 CG MET A 76 12.431 -5.476 8.116 1.00 0.15 C ATOM 426 SD MET A 76 12.064 -7.229 8.314 1.00 0.21 S ATOM 427 CE MET A 76 10.983 -7.503 6.917 1.00 0.40 C ATOM 0 H MET A 76 11.897 -3.070 6.379 1.00 0.12 H new ATOM 0 HA MET A 76 14.422 -3.622 7.737 1.00 0.13 H new ATOM 0 HB2 MET A 76 12.565 -5.291 5.989 1.00 0.14 H new ATOM 0 HB3 MET A 76 14.022 -5.898 6.749 1.00 0.14 H new ATOM 0 HG2 MET A 76 12.996 -5.129 8.981 1.00 0.15 H new ATOM 0 HG3 MET A 76 11.497 -4.915 8.099 1.00 0.15 H new ATOM 0 HE1 MET A 76 10.796 -8.571 6.805 1.00 0.40 H new ATOM 0 HE2 MET A 76 10.038 -6.985 7.081 1.00 0.40 H new ATOM 0 HE3 MET A 76 11.454 -7.121 6.012 1.00 0.40 H new ATOM 437 N GLN A 77 14.152 -3.218 4.477 1.00 0.14 N ATOM 438 CA GLN A 77 14.936 -3.086 3.254 1.00 0.15 C ATOM 439 C GLN A 77 15.185 -1.626 2.853 1.00 0.16 C ATOM 440 O GLN A 77 15.963 -1.359 1.934 1.00 0.22 O ATOM 441 CB GLN A 77 14.259 -3.818 2.092 1.00 0.19 C ATOM 442 CG GLN A 77 12.889 -4.399 2.393 1.00 0.21 C ATOM 443 CD GLN A 77 12.845 -5.899 2.219 1.00 0.38 C ATOM 444 OE1 GLN A 77 12.572 -6.402 1.134 1.00 0.83 O ATOM 445 NE2 GLN A 77 13.097 -6.621 3.295 1.00 0.25 N ATOM 0 H GLN A 77 13.156 -3.028 4.365 1.00 0.14 H new ATOM 0 HA GLN A 77 15.904 -3.539 3.469 1.00 0.15 H new ATOM 0 HB2 GLN A 77 14.165 -3.126 1.255 1.00 0.19 H new ATOM 0 HB3 GLN A 77 14.913 -4.626 1.765 1.00 0.19 H new ATOM 0 HG2 GLN A 77 12.608 -4.147 3.415 1.00 0.21 H new ATOM 0 HG3 GLN A 77 12.151 -3.939 1.737 1.00 0.21 H new ATOM 0 HE21 GLN A 77 13.320 -6.161 4.177 1.00 0.25 H new ATOM 0 HE22 GLN A 77 13.069 -7.639 3.244 1.00 0.25 H new ATOM 454 N THR A 78 14.539 -0.683 3.524 1.00 0.17 N ATOM 455 CA THR A 78 14.739 0.726 3.220 1.00 0.22 C ATOM 456 C THR A 78 15.339 1.450 4.411 1.00 0.30 C ATOM 457 O THR A 78 14.890 2.532 4.768 1.00 0.32 O ATOM 458 CB THR A 78 13.436 1.469 2.814 1.00 0.17 C ATOM 459 OG1 THR A 78 12.536 1.565 3.922 1.00 0.14 O ATOM 460 CG2 THR A 78 12.730 0.786 1.661 1.00 0.22 C ATOM 0 H THR A 78 13.876 -0.866 4.277 1.00 0.17 H new ATOM 0 HA THR A 78 15.416 0.741 2.366 1.00 0.22 H new ATOM 0 HB THR A 78 13.733 2.468 2.496 1.00 0.17 H new ATOM 0 HG1 THR A 78 12.685 0.811 4.530 1.00 0.14 H new ATOM 0 HG21 THR A 78 11.825 1.339 1.410 1.00 0.22 H new ATOM 0 HG22 THR A 78 13.391 0.759 0.794 1.00 0.22 H new ATOM 0 HG23 THR A 78 12.466 -0.232 1.948 1.00 0.22 H new ATOM 468 N ALA A 79 16.338 0.865 5.055 1.00 0.38 N ATOM 469 CA ALA A 79 17.027 1.552 6.139 1.00 0.50 C ATOM 470 C ALA A 79 17.689 2.830 5.643 1.00 0.52 C ATOM 471 O ALA A 79 17.863 3.789 6.394 1.00 0.55 O ATOM 472 CB ALA A 79 18.068 0.639 6.751 1.00 0.67 C ATOM 0 H ALA A 79 16.687 -0.071 4.850 1.00 0.38 H new ATOM 0 HA ALA A 79 16.289 1.819 6.895 1.00 0.50 H new ATOM 0 HB1 ALA A 79 18.578 1.160 7.561 1.00 0.67 H new ATOM 0 HB2 ALA A 79 17.583 -0.254 7.144 1.00 0.67 H new ATOM 0 HB3 ALA A 79 18.794 0.353 5.990 1.00 0.67 H new ATOM 478 N ASP A 80 18.060 2.821 4.372 1.00 0.53 N ATOM 479 CA ASP A 80 18.672 3.980 3.736 1.00 0.57 C ATOM 480 C ASP A 80 17.596 4.981 3.344 1.00 0.52 C ATOM 481 O ASP A 80 17.877 6.138 3.034 1.00 0.57 O ATOM 482 CB ASP A 80 19.462 3.536 2.502 1.00 0.65 C ATOM 483 CG ASP A 80 20.292 4.651 1.894 1.00 1.21 C ATOM 484 OD1 ASP A 80 21.337 5.008 2.477 1.00 1.94 O ATOM 485 OD2 ASP A 80 19.921 5.157 0.815 1.00 1.46 O ATOM 0 H ASP A 80 17.947 2.017 3.755 1.00 0.53 H new ATOM 0 HA ASP A 80 19.356 4.458 4.437 1.00 0.57 H new ATOM 0 HB2 ASP A 80 20.119 2.710 2.776 1.00 0.65 H new ATOM 0 HB3 ASP A 80 18.769 3.156 1.751 1.00 0.65 H new ATOM 490 N HIS A 81 16.355 4.514 3.374 1.00 0.43 N ATOM 491 CA HIS A 81 15.201 5.347 3.031 1.00 0.38 C ATOM 492 C HIS A 81 14.079 5.186 4.049 1.00 0.29 C ATOM 493 O HIS A 81 12.988 4.718 3.725 1.00 0.23 O ATOM 494 CB HIS A 81 14.694 4.994 1.628 1.00 0.41 C ATOM 495 CG HIS A 81 15.663 5.355 0.544 1.00 0.61 C ATOM 496 ND1 HIS A 81 15.725 6.606 -0.021 1.00 0.99 N ATOM 497 CD2 HIS A 81 16.618 4.619 -0.072 1.00 0.70 C ATOM 498 CE1 HIS A 81 16.668 6.627 -0.939 1.00 1.08 C ATOM 499 NE2 HIS A 81 17.229 5.433 -0.992 1.00 0.86 N ATOM 0 H HIS A 81 16.117 3.557 3.634 1.00 0.43 H new ATOM 0 HA HIS A 81 15.522 6.389 3.046 1.00 0.38 H new ATOM 0 HB2 HIS A 81 14.488 3.925 1.581 1.00 0.41 H new ATOM 0 HB3 HIS A 81 13.750 5.509 1.449 1.00 0.41 H new ATOM 0 HD2 HIS A 81 16.855 3.584 0.124 1.00 0.70 H new ATOM 0 HE1 HIS A 81 16.938 7.478 -1.547 1.00 1.08 H new ATOM 0 HE2 HIS A 81 17.990 5.161 -1.614 1.00 0.86 H new ATOM 508 N PRO A 82 14.331 5.590 5.299 1.00 0.32 N ATOM 509 CA PRO A 82 13.365 5.453 6.389 1.00 0.29 C ATOM 510 C PRO A 82 12.165 6.386 6.242 1.00 0.26 C ATOM 511 O PRO A 82 11.183 6.251 6.963 1.00 0.29 O ATOM 512 CB PRO A 82 14.178 5.819 7.626 1.00 0.38 C ATOM 513 CG PRO A 82 15.274 6.686 7.129 1.00 0.44 C ATOM 514 CD PRO A 82 15.590 6.203 5.754 1.00 0.41 C ATOM 0 HA PRO A 82 12.933 4.453 6.421 1.00 0.29 H new ATOM 0 HB2 PRO A 82 13.565 6.342 8.360 1.00 0.38 H new ATOM 0 HB3 PRO A 82 14.572 4.929 8.116 1.00 0.38 H new ATOM 0 HG2 PRO A 82 14.968 7.732 7.114 1.00 0.44 H new ATOM 0 HG3 PRO A 82 16.148 6.619 7.776 1.00 0.44 H new ATOM 0 HD2 PRO A 82 15.894 7.022 5.102 1.00 0.41 H new ATOM 0 HD3 PRO A 82 16.407 5.481 5.761 1.00 0.41 H new ATOM 522 N GLU A 83 12.261 7.338 5.322 1.00 0.23 N ATOM 523 CA GLU A 83 11.163 8.269 5.051 1.00 0.21 C ATOM 524 C GLU A 83 10.095 7.612 4.191 1.00 0.17 C ATOM 525 O GLU A 83 8.967 8.093 4.091 1.00 0.18 O ATOM 526 CB GLU A 83 11.688 9.505 4.342 1.00 0.28 C ATOM 527 CG GLU A 83 12.390 9.161 3.061 1.00 0.46 C ATOM 528 CD GLU A 83 12.943 10.368 2.339 1.00 0.55 C ATOM 529 OE1 GLU A 83 12.209 10.963 1.524 1.00 1.01 O ATOM 530 OE2 GLU A 83 14.106 10.737 2.595 1.00 0.95 O ATOM 0 H GLU A 83 13.090 7.489 4.747 1.00 0.23 H new ATOM 0 HA GLU A 83 10.721 8.555 6.005 1.00 0.21 H new ATOM 0 HB2 GLU A 83 10.860 10.182 4.131 1.00 0.28 H new ATOM 0 HB3 GLU A 83 12.375 10.037 5.001 1.00 0.28 H new ATOM 0 HG2 GLU A 83 13.205 8.470 3.276 1.00 0.46 H new ATOM 0 HG3 GLU A 83 11.695 8.639 2.403 1.00 0.46 H new ATOM 537 N VAL A 84 10.473 6.511 3.575 1.00 0.15 N ATOM 538 CA VAL A 84 9.617 5.793 2.658 1.00 0.14 C ATOM 539 C VAL A 84 8.406 5.205 3.362 1.00 0.11 C ATOM 540 O VAL A 84 7.307 5.208 2.822 1.00 0.11 O ATOM 541 CB VAL A 84 10.447 4.721 1.929 1.00 0.15 C ATOM 542 CG1 VAL A 84 9.672 3.464 1.664 1.00 0.16 C ATOM 543 CG2 VAL A 84 10.982 5.291 0.638 1.00 0.21 C ATOM 0 H VAL A 84 11.392 6.087 3.699 1.00 0.15 H new ATOM 0 HA VAL A 84 9.221 6.488 1.918 1.00 0.14 H new ATOM 0 HB VAL A 84 11.272 4.443 2.586 1.00 0.15 H new ATOM 0 HG11 VAL A 84 10.309 2.746 1.148 1.00 0.16 H new ATOM 0 HG12 VAL A 84 9.336 3.038 2.609 1.00 0.16 H new ATOM 0 HG13 VAL A 84 8.807 3.694 1.042 1.00 0.16 H new ATOM 0 HG21 VAL A 84 11.570 4.532 0.121 1.00 0.21 H new ATOM 0 HG22 VAL A 84 10.151 5.600 0.004 1.00 0.21 H new ATOM 0 HG23 VAL A 84 11.613 6.153 0.855 1.00 0.21 H new ATOM 553 N VAL A 85 8.612 4.721 4.571 1.00 0.09 N ATOM 554 CA VAL A 85 7.529 4.203 5.374 1.00 0.09 C ATOM 555 C VAL A 85 6.515 5.288 5.740 1.00 0.10 C ATOM 556 O VAL A 85 5.331 5.105 5.526 1.00 0.10 O ATOM 557 CB VAL A 85 8.074 3.515 6.625 1.00 0.10 C ATOM 558 CG1 VAL A 85 6.968 3.251 7.622 1.00 0.13 C ATOM 559 CG2 VAL A 85 8.782 2.238 6.215 1.00 0.11 C ATOM 0 H VAL A 85 9.527 4.677 5.019 1.00 0.09 H new ATOM 0 HA VAL A 85 6.998 3.464 4.774 1.00 0.09 H new ATOM 0 HB VAL A 85 8.791 4.169 7.121 1.00 0.10 H new ATOM 0 HG11 VAL A 85 7.382 2.761 8.503 1.00 0.13 H new ATOM 0 HG12 VAL A 85 6.509 4.195 7.914 1.00 0.13 H new ATOM 0 HG13 VAL A 85 6.215 2.606 7.168 1.00 0.13 H new ATOM 0 HG21 VAL A 85 9.175 1.739 7.101 1.00 0.11 H new ATOM 0 HG22 VAL A 85 8.078 1.578 5.709 1.00 0.11 H new ATOM 0 HG23 VAL A 85 9.603 2.478 5.540 1.00 0.11 H new ATOM 569 N PRO A 86 6.956 6.409 6.324 1.00 0.12 N ATOM 570 CA PRO A 86 6.106 7.581 6.520 1.00 0.14 C ATOM 571 C PRO A 86 5.363 7.976 5.246 1.00 0.14 C ATOM 572 O PRO A 86 4.159 8.186 5.281 1.00 0.18 O ATOM 573 CB PRO A 86 7.069 8.692 6.924 1.00 0.18 C ATOM 574 CG PRO A 86 8.369 8.038 7.251 1.00 0.18 C ATOM 575 CD PRO A 86 8.277 6.579 6.906 1.00 0.14 C ATOM 0 HA PRO A 86 5.336 7.385 7.266 1.00 0.14 H new ATOM 0 HB2 PRO A 86 7.191 9.411 6.114 1.00 0.18 H new ATOM 0 HB3 PRO A 86 6.686 9.242 7.784 1.00 0.18 H new ATOM 0 HG2 PRO A 86 9.179 8.508 6.692 1.00 0.18 H new ATOM 0 HG3 PRO A 86 8.598 8.162 8.309 1.00 0.18 H new ATOM 0 HD2 PRO A 86 9.058 6.291 6.202 1.00 0.14 H new ATOM 0 HD3 PRO A 86 8.400 5.956 7.792 1.00 0.14 H new ATOM 583 N PHE A 87 6.081 8.061 4.123 1.00 0.13 N ATOM 584 CA PHE A 87 5.481 8.381 2.830 1.00 0.14 C ATOM 585 C PHE A 87 4.448 7.329 2.454 1.00 0.12 C ATOM 586 O PHE A 87 3.404 7.633 1.871 1.00 0.12 O ATOM 587 CB PHE A 87 6.579 8.435 1.758 1.00 0.18 C ATOM 588 CG PHE A 87 6.151 9.010 0.433 1.00 0.35 C ATOM 589 CD1 PHE A 87 4.876 9.512 0.254 1.00 0.35 C ATOM 590 CD2 PHE A 87 7.038 9.055 -0.630 1.00 0.85 C ATOM 591 CE1 PHE A 87 4.488 10.048 -0.956 1.00 0.43 C ATOM 592 CE2 PHE A 87 6.656 9.589 -1.847 1.00 1.01 C ATOM 593 CZ PHE A 87 5.379 10.087 -2.009 1.00 0.69 C ATOM 0 H PHE A 87 7.089 7.910 4.087 1.00 0.13 H new ATOM 0 HA PHE A 87 4.986 9.350 2.897 1.00 0.14 H new ATOM 0 HB2 PHE A 87 7.411 9.026 2.141 1.00 0.18 H new ATOM 0 HB3 PHE A 87 6.955 7.425 1.594 1.00 0.18 H new ATOM 0 HD1 PHE A 87 4.173 9.484 1.074 1.00 0.35 H new ATOM 0 HD2 PHE A 87 8.039 8.669 -0.507 1.00 0.85 H new ATOM 0 HE1 PHE A 87 3.488 10.437 -1.079 1.00 0.43 H new ATOM 0 HE2 PHE A 87 7.356 9.616 -2.669 1.00 1.01 H new ATOM 0 HZ PHE A 87 5.078 10.506 -2.958 1.00 0.69 H new ATOM 603 N LEU A 88 4.721 6.107 2.850 1.00 0.10 N ATOM 604 CA LEU A 88 3.852 5.004 2.539 1.00 0.09 C ATOM 605 C LEU A 88 2.635 5.106 3.414 1.00 0.08 C ATOM 606 O LEU A 88 1.491 5.039 2.958 1.00 0.09 O ATOM 607 CB LEU A 88 4.569 3.696 2.826 1.00 0.09 C ATOM 608 CG LEU A 88 5.018 2.916 1.611 1.00 0.10 C ATOM 609 CD1 LEU A 88 5.858 1.743 2.041 1.00 0.11 C ATOM 610 CD2 LEU A 88 3.825 2.434 0.827 1.00 0.10 C ATOM 0 H LEU A 88 5.547 5.854 3.393 1.00 0.10 H new ATOM 0 HA LEU A 88 3.568 5.032 1.487 1.00 0.09 H new ATOM 0 HB2 LEU A 88 5.443 3.909 3.442 1.00 0.09 H new ATOM 0 HB3 LEU A 88 3.908 3.063 3.418 1.00 0.09 H new ATOM 0 HG LEU A 88 5.613 3.570 0.973 1.00 0.10 H new ATOM 0 HD11 LEU A 88 6.179 1.184 1.162 1.00 0.11 H new ATOM 0 HD12 LEU A 88 6.733 2.101 2.583 1.00 0.11 H new ATOM 0 HD13 LEU A 88 5.271 1.093 2.690 1.00 0.11 H new ATOM 0 HD21 LEU A 88 4.164 1.874 -0.045 1.00 0.10 H new ATOM 0 HD22 LEU A 88 3.212 1.789 1.457 1.00 0.10 H new ATOM 0 HD23 LEU A 88 3.234 3.290 0.501 1.00 0.10 H new ATOM 622 N TYR A 89 2.923 5.299 4.689 1.00 0.08 N ATOM 623 CA TYR A 89 1.931 5.387 5.717 1.00 0.09 C ATOM 624 C TYR A 89 0.977 6.521 5.417 1.00 0.09 C ATOM 625 O TYR A 89 -0.231 6.355 5.422 1.00 0.11 O ATOM 626 CB TYR A 89 2.627 5.650 7.051 1.00 0.10 C ATOM 627 CG TYR A 89 2.293 4.635 8.084 1.00 0.13 C ATOM 628 CD1 TYR A 89 0.998 4.215 8.214 1.00 0.14 C ATOM 629 CD2 TYR A 89 3.258 4.089 8.905 1.00 0.16 C ATOM 630 CE1 TYR A 89 0.646 3.266 9.127 1.00 0.19 C ATOM 631 CE2 TYR A 89 2.929 3.134 9.838 1.00 0.20 C ATOM 632 CZ TYR A 89 1.613 2.719 9.948 1.00 0.22 C ATOM 633 OH TYR A 89 1.263 1.752 10.859 1.00 0.27 O ATOM 0 H TYR A 89 3.878 5.400 5.034 1.00 0.08 H new ATOM 0 HA TYR A 89 1.370 4.454 5.764 1.00 0.09 H new ATOM 0 HB2 TYR A 89 3.706 5.663 6.896 1.00 0.10 H new ATOM 0 HB3 TYR A 89 2.345 6.638 7.414 1.00 0.10 H new ATOM 0 HD1 TYR A 89 0.237 4.645 7.579 1.00 0.14 H new ATOM 0 HD2 TYR A 89 4.283 4.415 8.814 1.00 0.16 H new ATOM 0 HE1 TYR A 89 -0.382 2.944 9.208 1.00 0.19 H new ATOM 0 HE2 TYR A 89 3.689 2.712 10.478 1.00 0.20 H new ATOM 0 HH TYR A 89 2.058 1.470 11.358 1.00 0.27 H new ATOM 643 N ASN A 90 1.574 7.661 5.137 1.00 0.09 N ATOM 644 CA ASN A 90 0.883 8.871 4.748 1.00 0.09 C ATOM 645 C ASN A 90 -0.077 8.606 3.612 1.00 0.09 C ATOM 646 O ASN A 90 -1.275 8.805 3.756 1.00 0.10 O ATOM 647 CB ASN A 90 1.955 9.878 4.347 1.00 0.11 C ATOM 648 CG ASN A 90 1.467 11.010 3.499 1.00 0.24 C ATOM 649 OD1 ASN A 90 0.803 11.920 3.978 1.00 0.43 O ATOM 650 ND2 ASN A 90 1.849 10.979 2.231 1.00 0.40 N ATOM 0 H ASN A 90 2.587 7.774 5.175 1.00 0.09 H new ATOM 0 HA ASN A 90 0.282 9.258 5.571 1.00 0.09 H new ATOM 0 HB2 ASN A 90 2.405 10.288 5.251 1.00 0.11 H new ATOM 0 HB3 ASN A 90 2.744 9.353 3.808 1.00 0.11 H new ATOM 0 HD21 ASN A 90 1.590 11.739 1.602 1.00 0.40 H new ATOM 0 HD22 ASN A 90 2.402 10.195 1.884 1.00 0.40 H new ATOM 657 N ARG A 91 0.454 8.119 2.504 1.00 0.08 N ATOM 658 CA ARG A 91 -0.340 7.789 1.345 1.00 0.10 C ATOM 659 C ARG A 91 -1.517 6.894 1.682 1.00 0.09 C ATOM 660 O ARG A 91 -2.627 7.118 1.199 1.00 0.11 O ATOM 661 CB ARG A 91 0.547 7.124 0.324 1.00 0.13 C ATOM 662 CG ARG A 91 1.226 8.132 -0.552 1.00 0.16 C ATOM 663 CD ARG A 91 0.255 8.737 -1.549 1.00 0.29 C ATOM 664 NE ARG A 91 -1.121 8.872 -1.063 1.00 0.88 N ATOM 665 CZ ARG A 91 -1.914 9.908 -1.328 1.00 1.05 C ATOM 666 NH1 ARG A 91 -1.425 11.006 -1.889 1.00 1.35 N ATOM 667 NH2 ARG A 91 -3.193 9.860 -0.982 1.00 1.64 N ATOM 0 H ARG A 91 1.452 7.943 2.388 1.00 0.08 H new ATOM 0 HA ARG A 91 -0.757 8.713 0.945 1.00 0.10 H new ATOM 0 HB2 ARG A 91 1.297 6.518 0.832 1.00 0.13 H new ATOM 0 HB3 ARG A 91 -0.047 6.448 -0.291 1.00 0.13 H new ATOM 0 HG2 ARG A 91 1.657 8.921 0.064 1.00 0.16 H new ATOM 0 HG3 ARG A 91 2.050 7.658 -1.085 1.00 0.16 H new ATOM 0 HD2 ARG A 91 0.621 9.722 -1.839 1.00 0.29 H new ATOM 0 HD3 ARG A 91 0.249 8.121 -2.448 1.00 0.29 H new ATOM 0 HE ARG A 91 -1.496 8.122 -0.483 1.00 0.88 H new ATOM 0 HH11 ARG A 91 -0.433 11.062 -2.121 1.00 1.35 H new ATOM 0 HH12 ARG A 91 -2.041 11.795 -2.088 1.00 1.35 H new ATOM 0 HH21 ARG A 91 -3.564 9.032 -0.515 1.00 1.64 H new ATOM 0 HH22 ARG A 91 -3.806 10.651 -1.182 1.00 1.64 H new ATOM 681 N GLN A 92 -1.267 5.891 2.500 1.00 0.09 N ATOM 682 CA GLN A 92 -2.293 4.946 2.890 1.00 0.12 C ATOM 683 C GLN A 92 -3.294 5.605 3.835 1.00 0.11 C ATOM 684 O GLN A 92 -4.504 5.487 3.658 1.00 0.13 O ATOM 685 CB GLN A 92 -1.623 3.741 3.545 1.00 0.18 C ATOM 686 CG GLN A 92 -2.430 2.461 3.466 1.00 0.35 C ATOM 687 CD GLN A 92 -3.311 2.225 4.674 1.00 0.42 C ATOM 688 OE1 GLN A 92 -3.757 3.159 5.335 1.00 1.05 O ATOM 689 NE2 GLN A 92 -3.560 0.967 4.972 1.00 0.36 N ATOM 0 H GLN A 92 -0.351 5.709 2.911 1.00 0.09 H new ATOM 0 HA GLN A 92 -2.847 4.614 2.012 1.00 0.12 H new ATOM 0 HB2 GLN A 92 -0.655 3.576 3.072 1.00 0.18 H new ATOM 0 HB3 GLN A 92 -1.431 3.972 4.593 1.00 0.18 H new ATOM 0 HG2 GLN A 92 -3.053 2.489 2.572 1.00 0.35 H new ATOM 0 HG3 GLN A 92 -1.748 1.618 3.353 1.00 0.35 H new ATOM 0 HE21 GLN A 92 -3.170 0.220 4.397 1.00 0.36 H new ATOM 0 HE22 GLN A 92 -4.143 0.739 5.778 1.00 0.36 H new ATOM 698 N GLN A 93 -2.773 6.332 4.811 1.00 0.12 N ATOM 699 CA GLN A 93 -3.595 7.019 5.798 1.00 0.14 C ATOM 700 C GLN A 93 -4.532 8.029 5.137 1.00 0.16 C ATOM 701 O GLN A 93 -5.675 8.212 5.561 1.00 0.20 O ATOM 702 CB GLN A 93 -2.704 7.730 6.824 1.00 0.15 C ATOM 703 CG GLN A 93 -2.038 6.792 7.814 1.00 0.15 C ATOM 704 CD GLN A 93 -2.999 5.797 8.423 1.00 0.21 C ATOM 705 OE1 GLN A 93 -3.649 6.070 9.432 1.00 0.28 O ATOM 706 NE2 GLN A 93 -3.067 4.622 7.825 1.00 0.22 N ATOM 0 H GLN A 93 -1.770 6.463 4.942 1.00 0.12 H new ATOM 0 HA GLN A 93 -4.205 6.270 6.304 1.00 0.14 H new ATOM 0 HB2 GLN A 93 -1.934 8.291 6.295 1.00 0.15 H new ATOM 0 HB3 GLN A 93 -3.305 8.455 7.373 1.00 0.15 H new ATOM 0 HG2 GLN A 93 -1.235 6.253 7.311 1.00 0.15 H new ATOM 0 HG3 GLN A 93 -1.579 7.379 8.609 1.00 0.15 H new ATOM 0 HE21 GLN A 93 -2.509 4.441 6.990 1.00 0.22 H new ATOM 0 HE22 GLN A 93 -3.677 3.895 8.198 1.00 0.22 H new ATOM 715 N ARG A 94 -4.038 8.675 4.092 1.00 0.14 N ATOM 716 CA ARG A 94 -4.783 9.718 3.403 1.00 0.15 C ATOM 717 C ARG A 94 -5.491 9.183 2.157 1.00 0.14 C ATOM 718 O ARG A 94 -6.063 9.944 1.371 1.00 0.19 O ATOM 719 CB ARG A 94 -3.826 10.844 3.052 1.00 0.21 C ATOM 720 CG ARG A 94 -2.795 10.471 2.011 1.00 0.76 C ATOM 721 CD ARG A 94 -1.624 11.440 2.011 1.00 0.64 C ATOM 722 NE ARG A 94 -2.064 12.809 1.700 1.00 0.86 N ATOM 723 CZ ARG A 94 -1.365 13.919 1.963 1.00 1.04 C ATOM 724 NH1 ARG A 94 -0.232 13.860 2.641 1.00 1.60 N ATOM 725 NH2 ARG A 94 -1.826 15.097 1.575 1.00 1.40 N ATOM 0 H ARG A 94 -3.115 8.493 3.699 1.00 0.14 H new ATOM 0 HA ARG A 94 -5.566 10.093 4.062 1.00 0.15 H new ATOM 0 HB2 ARG A 94 -4.401 11.697 2.690 1.00 0.21 H new ATOM 0 HB3 ARG A 94 -3.313 11.167 3.958 1.00 0.21 H new ATOM 0 HG2 ARG A 94 -2.432 9.461 2.203 1.00 0.76 H new ATOM 0 HG3 ARG A 94 -3.260 10.461 1.025 1.00 0.76 H new ATOM 0 HD2 ARG A 94 -1.137 11.425 2.986 1.00 0.64 H new ATOM 0 HD3 ARG A 94 -0.883 11.119 1.279 1.00 0.64 H new ATOM 0 HE ARG A 94 -2.972 12.920 1.249 1.00 0.86 H new ATOM 0 HH11 ARG A 94 0.119 12.961 2.970 1.00 1.60 H new ATOM 0 HH12 ARG A 94 0.291 14.714 2.835 1.00 1.60 H new ATOM 0 HH21 ARG A 94 -2.713 15.158 1.076 1.00 1.40 H new ATOM 0 HH22 ARG A 94 -1.294 15.944 1.775 1.00 1.40 H new ATOM 739 N ALA A 95 -5.428 7.874 1.978 1.00 0.12 N ATOM 740 CA ALA A 95 -6.162 7.201 0.902 1.00 0.12 C ATOM 741 C ALA A 95 -7.637 7.095 1.248 1.00 0.13 C ATOM 742 O ALA A 95 -8.045 7.421 2.363 1.00 0.17 O ATOM 743 CB ALA A 95 -5.605 5.806 0.650 1.00 0.13 C ATOM 0 H ALA A 95 -4.875 7.248 2.563 1.00 0.12 H new ATOM 0 HA ALA A 95 -6.043 7.799 -0.002 1.00 0.12 H new ATOM 0 HB1 ALA A 95 -6.167 5.329 -0.153 1.00 0.13 H new ATOM 0 HB2 ALA A 95 -4.556 5.879 0.364 1.00 0.13 H new ATOM 0 HB3 ALA A 95 -5.693 5.210 1.558 1.00 0.13 H new ATOM 749 N HIS A 96 -8.443 6.664 0.287 1.00 0.12 N ATOM 750 CA HIS A 96 -9.855 6.431 0.525 1.00 0.13 C ATOM 751 C HIS A 96 -10.046 5.236 1.435 1.00 0.13 C ATOM 752 O HIS A 96 -9.619 4.137 1.108 1.00 0.12 O ATOM 753 CB HIS A 96 -10.570 6.173 -0.797 1.00 0.14 C ATOM 754 CG HIS A 96 -12.014 6.550 -0.766 1.00 0.18 C ATOM 755 ND1 HIS A 96 -12.842 6.112 0.234 1.00 0.20 N ATOM 756 CD2 HIS A 96 -12.716 7.344 -1.609 1.00 0.23 C ATOM 757 CE1 HIS A 96 -14.022 6.644 -0.015 1.00 0.23 C ATOM 758 NE2 HIS A 96 -13.996 7.400 -1.122 1.00 0.25 N ATOM 0 H HIS A 96 -8.139 6.469 -0.667 1.00 0.12 H new ATOM 0 HA HIS A 96 -10.275 7.316 1.002 1.00 0.13 H new ATOM 0 HB2 HIS A 96 -10.071 6.733 -1.588 1.00 0.14 H new ATOM 0 HB3 HIS A 96 -10.482 5.117 -1.051 1.00 0.14 H new ATOM 0 HD2 HIS A 96 -12.340 7.837 -2.493 1.00 0.23 H new ATOM 0 HE1 HIS A 96 -14.899 6.490 0.596 1.00 0.23 H new ATOM 0 HE2 HIS A 96 -14.778 7.917 -1.524 1.00 0.25 H new ATOM 766 N SER A 97 -10.666 5.467 2.585 1.00 0.16 N ATOM 767 CA SER A 97 -10.968 4.399 3.521 1.00 0.20 C ATOM 768 C SER A 97 -11.759 3.273 2.852 1.00 0.18 C ATOM 769 O SER A 97 -11.544 2.102 3.155 1.00 0.18 O ATOM 770 CB SER A 97 -11.735 4.954 4.725 1.00 0.29 C ATOM 771 OG SER A 97 -11.935 3.959 5.711 1.00 1.32 O ATOM 0 H SER A 97 -10.970 6.391 2.891 1.00 0.16 H new ATOM 0 HA SER A 97 -10.024 3.977 3.866 1.00 0.20 H new ATOM 0 HB2 SER A 97 -11.184 5.790 5.156 1.00 0.29 H new ATOM 0 HB3 SER A 97 -12.699 5.343 4.397 1.00 0.29 H new ATOM 0 HG SER A 97 -12.426 4.342 6.468 1.00 1.32 H new ATOM 777 N LEU A 98 -12.673 3.623 1.942 1.00 0.18 N ATOM 778 CA LEU A 98 -13.381 2.619 1.150 1.00 0.18 C ATOM 779 C LEU A 98 -12.415 1.783 0.341 1.00 0.15 C ATOM 780 O LEU A 98 -12.557 0.574 0.231 1.00 0.18 O ATOM 781 CB LEU A 98 -14.348 3.276 0.184 1.00 0.21 C ATOM 782 CG LEU A 98 -15.686 3.693 0.772 1.00 0.28 C ATOM 783 CD1 LEU A 98 -16.583 4.213 -0.331 1.00 0.57 C ATOM 784 CD2 LEU A 98 -16.345 2.532 1.504 1.00 0.61 C ATOM 0 H LEU A 98 -12.937 4.587 1.738 1.00 0.18 H new ATOM 0 HA LEU A 98 -13.923 1.986 1.853 1.00 0.18 H new ATOM 0 HB2 LEU A 98 -13.867 4.158 -0.239 1.00 0.21 H new ATOM 0 HB3 LEU A 98 -14.533 2.588 -0.641 1.00 0.21 H new ATOM 0 HG LEU A 98 -15.520 4.488 1.499 1.00 0.28 H new ATOM 0 HD11 LEU A 98 -17.543 4.512 0.091 1.00 0.57 H new ATOM 0 HD12 LEU A 98 -16.112 5.073 -0.808 1.00 0.57 H new ATOM 0 HD13 LEU A 98 -16.741 3.429 -1.072 1.00 0.57 H new ATOM 0 HD21 LEU A 98 -17.301 2.857 1.915 1.00 0.61 H new ATOM 0 HD22 LEU A 98 -16.510 1.710 0.808 1.00 0.61 H new ATOM 0 HD23 LEU A 98 -15.697 2.197 2.314 1.00 0.61 H new ATOM 796 N PHE A 99 -11.435 2.460 -0.216 1.00 0.12 N ATOM 797 CA PHE A 99 -10.407 1.824 -1.021 1.00 0.11 C ATOM 798 C PHE A 99 -9.505 0.973 -0.134 1.00 0.11 C ATOM 799 O PHE A 99 -9.096 -0.128 -0.508 1.00 0.12 O ATOM 800 CB PHE A 99 -9.591 2.884 -1.765 1.00 0.12 C ATOM 801 CG PHE A 99 -8.328 2.359 -2.368 1.00 0.13 C ATOM 802 CD1 PHE A 99 -8.379 1.427 -3.379 1.00 0.15 C ATOM 803 CD2 PHE A 99 -7.097 2.800 -1.918 1.00 0.18 C ATOM 804 CE1 PHE A 99 -7.220 0.937 -3.943 1.00 0.18 C ATOM 805 CE2 PHE A 99 -5.933 2.317 -2.475 1.00 0.20 C ATOM 806 CZ PHE A 99 -5.995 1.383 -3.488 1.00 0.18 C ATOM 0 H PHE A 99 -11.325 3.470 -0.125 1.00 0.12 H new ATOM 0 HA PHE A 99 -10.880 1.175 -1.758 1.00 0.11 H new ATOM 0 HB2 PHE A 99 -10.207 3.316 -2.554 1.00 0.12 H new ATOM 0 HB3 PHE A 99 -9.345 3.691 -1.075 1.00 0.12 H new ATOM 0 HD1 PHE A 99 -9.336 1.076 -3.734 1.00 0.15 H new ATOM 0 HD2 PHE A 99 -7.048 3.529 -1.123 1.00 0.18 H new ATOM 0 HE1 PHE A 99 -7.270 0.207 -4.738 1.00 0.18 H new ATOM 0 HE2 PHE A 99 -4.976 2.668 -2.120 1.00 0.20 H new ATOM 0 HZ PHE A 99 -5.085 1.000 -3.926 1.00 0.18 H new ATOM 816 N LEU A 100 -9.219 1.485 1.046 1.00 0.12 N ATOM 817 CA LEU A 100 -8.427 0.766 2.028 1.00 0.14 C ATOM 818 C LEU A 100 -9.198 -0.426 2.566 1.00 0.16 C ATOM 819 O LEU A 100 -8.630 -1.311 3.190 1.00 0.21 O ATOM 820 CB LEU A 100 -8.044 1.696 3.164 1.00 0.17 C ATOM 821 CG LEU A 100 -7.306 2.949 2.730 1.00 0.17 C ATOM 822 CD1 LEU A 100 -7.395 3.999 3.814 1.00 0.21 C ATOM 823 CD2 LEU A 100 -5.867 2.614 2.414 1.00 0.22 C ATOM 0 H LEU A 100 -9.527 2.408 1.352 1.00 0.12 H new ATOM 0 HA LEU A 100 -7.521 0.401 1.545 1.00 0.14 H new ATOM 0 HB2 LEU A 100 -8.948 1.989 3.698 1.00 0.17 H new ATOM 0 HB3 LEU A 100 -7.420 1.148 3.870 1.00 0.17 H new ATOM 0 HG LEU A 100 -7.769 3.350 1.828 1.00 0.17 H new ATOM 0 HD11 LEU A 100 -6.863 4.896 3.496 1.00 0.21 H new ATOM 0 HD12 LEU A 100 -8.441 4.244 3.999 1.00 0.21 H new ATOM 0 HD13 LEU A 100 -6.945 3.616 4.730 1.00 0.21 H new ATOM 0 HD21 LEU A 100 -5.343 3.518 2.103 1.00 0.22 H new ATOM 0 HD22 LEU A 100 -5.386 2.203 3.301 1.00 0.22 H new ATOM 0 HD23 LEU A 100 -5.833 1.880 1.609 1.00 0.22 H new ATOM 835 N ALA A 101 -10.499 -0.442 2.342 1.00 0.16 N ATOM 836 CA ALA A 101 -11.295 -1.626 2.628 1.00 0.19 C ATOM 837 C ALA A 101 -11.868 -2.203 1.346 1.00 0.21 C ATOM 838 O ALA A 101 -12.894 -2.881 1.369 1.00 0.37 O ATOM 839 CB ALA A 101 -12.412 -1.326 3.618 1.00 0.23 C ATOM 0 H ALA A 101 -11.027 0.345 1.965 1.00 0.16 H new ATOM 0 HA ALA A 101 -10.635 -2.364 3.085 1.00 0.19 H new ATOM 0 HB1 ALA A 101 -12.985 -2.234 3.807 1.00 0.23 H new ATOM 0 HB2 ALA A 101 -11.983 -0.967 4.553 1.00 0.23 H new ATOM 0 HB3 ALA A 101 -13.070 -0.562 3.204 1.00 0.23 H new ATOM 845 N SER A 102 -11.218 -1.911 0.223 1.00 0.13 N ATOM 846 CA SER A 102 -11.620 -2.480 -1.053 1.00 0.15 C ATOM 847 C SER A 102 -10.578 -3.479 -1.551 1.00 0.17 C ATOM 848 O SER A 102 -9.375 -3.334 -1.308 1.00 0.25 O ATOM 849 CB SER A 102 -11.832 -1.379 -2.095 1.00 0.18 C ATOM 850 OG SER A 102 -10.599 -0.850 -2.552 1.00 1.40 O ATOM 0 H SER A 102 -10.414 -1.286 0.174 1.00 0.13 H new ATOM 0 HA SER A 102 -12.564 -3.005 -0.904 1.00 0.15 H new ATOM 0 HB2 SER A 102 -12.392 -1.780 -2.940 1.00 0.18 H new ATOM 0 HB3 SER A 102 -12.434 -0.580 -1.663 1.00 0.18 H new ATOM 0 HG SER A 102 -9.940 -0.883 -1.827 1.00 1.40 H new ATOM 856 N ALA A 103 -11.084 -4.516 -2.216 1.00 0.20 N ATOM 857 CA ALA A 103 -10.281 -5.571 -2.813 1.00 0.21 C ATOM 858 C ALA A 103 -9.155 -5.051 -3.691 1.00 0.18 C ATOM 859 O ALA A 103 -8.112 -5.687 -3.775 1.00 0.19 O ATOM 860 CB ALA A 103 -11.173 -6.467 -3.642 1.00 0.27 C ATOM 0 H ALA A 103 -12.086 -4.645 -2.355 1.00 0.20 H new ATOM 0 HA ALA A 103 -9.820 -6.117 -1.990 1.00 0.21 H new ATOM 0 HB1 ALA A 103 -10.575 -7.260 -4.092 1.00 0.27 H new ATOM 0 HB2 ALA A 103 -11.939 -6.908 -3.005 1.00 0.27 H new ATOM 0 HB3 ALA A 103 -11.648 -5.880 -4.428 1.00 0.27 H new ATOM 866 N GLU A 104 -9.368 -3.925 -4.373 1.00 0.17 N ATOM 867 CA GLU A 104 -8.346 -3.387 -5.262 1.00 0.17 C ATOM 868 C GLU A 104 -7.035 -3.171 -4.520 1.00 0.14 C ATOM 869 O GLU A 104 -5.977 -3.568 -5.001 1.00 0.14 O ATOM 870 CB GLU A 104 -8.773 -2.076 -5.898 1.00 0.22 C ATOM 871 CG GLU A 104 -7.935 -1.718 -7.112 1.00 0.30 C ATOM 872 CD GLU A 104 -8.152 -0.301 -7.597 1.00 0.97 C ATOM 873 OE1 GLU A 104 -9.304 0.181 -7.533 1.00 1.29 O ATOM 874 OE2 GLU A 104 -7.175 0.346 -8.027 1.00 1.70 O ATOM 0 H GLU A 104 -10.227 -3.377 -4.327 1.00 0.17 H new ATOM 0 HA GLU A 104 -8.205 -4.126 -6.051 1.00 0.17 H new ATOM 0 HB2 GLU A 104 -9.821 -2.142 -6.191 1.00 0.22 H new ATOM 0 HB3 GLU A 104 -8.698 -1.277 -5.161 1.00 0.22 H new ATOM 0 HG2 GLU A 104 -6.881 -1.853 -6.869 1.00 0.30 H new ATOM 0 HG3 GLU A 104 -8.167 -2.410 -7.921 1.00 0.30 H new ATOM 881 N PHE A 105 -7.103 -2.558 -3.342 1.00 0.13 N ATOM 882 CA PHE A 105 -5.904 -2.306 -2.563 1.00 0.13 C ATOM 883 C PHE A 105 -5.285 -3.627 -2.143 1.00 0.12 C ATOM 884 O PHE A 105 -4.074 -3.776 -2.161 1.00 0.13 O ATOM 885 CB PHE A 105 -6.212 -1.447 -1.331 1.00 0.13 C ATOM 886 CG PHE A 105 -4.978 -0.919 -0.652 1.00 0.12 C ATOM 887 CD1 PHE A 105 -3.843 -0.662 -1.396 1.00 0.12 C ATOM 888 CD2 PHE A 105 -4.949 -0.675 0.714 1.00 0.14 C ATOM 889 CE1 PHE A 105 -2.702 -0.171 -0.799 1.00 0.13 C ATOM 890 CE2 PHE A 105 -3.806 -0.185 1.317 1.00 0.15 C ATOM 891 CZ PHE A 105 -2.683 0.068 0.556 1.00 0.14 C ATOM 0 H PHE A 105 -7.968 -2.231 -2.913 1.00 0.13 H new ATOM 0 HA PHE A 105 -5.198 -1.754 -3.183 1.00 0.13 H new ATOM 0 HB2 PHE A 105 -6.842 -0.609 -1.629 1.00 0.13 H new ATOM 0 HB3 PHE A 105 -6.786 -2.039 -0.618 1.00 0.13 H new ATOM 0 HD1 PHE A 105 -3.850 -0.848 -2.460 1.00 0.12 H new ATOM 0 HD2 PHE A 105 -5.828 -0.870 1.311 1.00 0.14 H new ATOM 0 HE1 PHE A 105 -1.823 0.026 -1.395 1.00 0.13 H new ATOM 0 HE2 PHE A 105 -3.792 -0.001 2.381 1.00 0.15 H new ATOM 0 HZ PHE A 105 -1.789 0.454 1.024 1.00 0.14 H new ATOM 901 N CYS A 106 -6.132 -4.592 -1.808 1.00 0.13 N ATOM 902 CA CYS A 106 -5.670 -5.919 -1.418 1.00 0.15 C ATOM 903 C CYS A 106 -4.950 -6.572 -2.578 1.00 0.15 C ATOM 904 O CYS A 106 -3.877 -7.150 -2.418 1.00 0.16 O ATOM 905 CB CYS A 106 -6.849 -6.783 -0.975 1.00 0.19 C ATOM 906 SG CYS A 106 -6.439 -8.526 -0.747 1.00 0.29 S ATOM 0 H CYS A 106 -7.146 -4.480 -1.798 1.00 0.13 H new ATOM 0 HA CYS A 106 -4.980 -5.821 -0.580 1.00 0.15 H new ATOM 0 HB2 CYS A 106 -7.244 -6.388 -0.039 1.00 0.19 H new ATOM 0 HB3 CYS A 106 -7.644 -6.702 -1.716 1.00 0.19 H new ATOM 0 HG CYS A 106 -7.235 -9.047 0.139 1.00 0.29 H new ATOM 912 N ASN A 107 -5.568 -6.470 -3.739 1.00 0.14 N ATOM 913 CA ASN A 107 -4.994 -6.924 -4.996 1.00 0.16 C ATOM 914 C ASN A 107 -3.603 -6.347 -5.166 1.00 0.15 C ATOM 915 O ASN A 107 -2.619 -7.074 -5.255 1.00 0.17 O ATOM 916 CB ASN A 107 -5.874 -6.438 -6.148 1.00 0.18 C ATOM 917 CG ASN A 107 -6.201 -7.526 -7.152 1.00 0.24 C ATOM 918 OD1 ASN A 107 -5.415 -8.447 -7.375 1.00 0.32 O ATOM 919 ND2 ASN A 107 -7.376 -7.432 -7.757 1.00 0.34 N ATOM 0 H ASN A 107 -6.498 -6.063 -3.839 1.00 0.14 H new ATOM 0 HA ASN A 107 -4.938 -8.013 -4.994 1.00 0.16 H new ATOM 0 HB2 ASN A 107 -6.803 -6.036 -5.742 1.00 0.18 H new ATOM 0 HB3 ASN A 107 -5.370 -5.619 -6.661 1.00 0.18 H new ATOM 0 HD21 ASN A 107 -7.658 -8.139 -8.436 1.00 0.34 H new ATOM 0 HD22 ASN A 107 -7.998 -6.653 -7.544 1.00 0.34 H new ATOM 926 N ILE A 108 -3.550 -5.027 -5.134 1.00 0.13 N ATOM 927 CA ILE A 108 -2.331 -4.262 -5.341 1.00 0.13 C ATOM 928 C ILE A 108 -1.296 -4.597 -4.275 1.00 0.11 C ATOM 929 O ILE A 108 -0.115 -4.780 -4.559 1.00 0.12 O ATOM 930 CB ILE A 108 -2.694 -2.767 -5.270 1.00 0.14 C ATOM 931 CG1 ILE A 108 -3.510 -2.370 -6.499 1.00 0.17 C ATOM 932 CG2 ILE A 108 -1.463 -1.888 -5.116 1.00 0.14 C ATOM 933 CD1 ILE A 108 -4.315 -1.102 -6.308 1.00 0.17 C ATOM 0 H ILE A 108 -4.369 -4.445 -4.960 1.00 0.13 H new ATOM 0 HA ILE A 108 -1.900 -4.507 -6.312 1.00 0.13 H new ATOM 0 HB ILE A 108 -3.302 -2.609 -4.379 1.00 0.14 H new ATOM 0 HG12 ILE A 108 -2.836 -2.239 -7.345 1.00 0.17 H new ATOM 0 HG13 ILE A 108 -4.187 -3.185 -6.754 1.00 0.17 H new ATOM 0 HG21 ILE A 108 -1.766 -0.842 -5.070 1.00 0.14 H new ATOM 0 HG22 ILE A 108 -0.938 -2.154 -4.198 1.00 0.14 H new ATOM 0 HG23 ILE A 108 -0.801 -2.037 -5.969 1.00 0.14 H new ATOM 0 HD11 ILE A 108 -4.869 -0.882 -7.221 1.00 0.17 H new ATOM 0 HD12 ILE A 108 -5.014 -1.236 -5.483 1.00 0.17 H new ATOM 0 HD13 ILE A 108 -3.642 -0.274 -6.083 1.00 0.17 H new ATOM 945 N LEU A 109 -1.774 -4.686 -3.055 1.00 0.09 N ATOM 946 CA LEU A 109 -0.963 -5.015 -1.904 1.00 0.08 C ATOM 947 C LEU A 109 -0.353 -6.393 -2.022 1.00 0.09 C ATOM 948 O LEU A 109 0.860 -6.564 -1.932 1.00 0.10 O ATOM 949 CB LEU A 109 -1.831 -4.933 -0.670 1.00 0.08 C ATOM 950 CG LEU A 109 -1.813 -3.563 -0.014 1.00 0.07 C ATOM 951 CD1 LEU A 109 -2.822 -3.488 1.095 1.00 0.09 C ATOM 952 CD2 LEU A 109 -0.435 -3.256 0.514 1.00 0.07 C ATOM 0 H LEU A 109 -2.756 -4.529 -2.830 1.00 0.09 H new ATOM 0 HA LEU A 109 -0.138 -4.305 -1.839 1.00 0.08 H new ATOM 0 HB2 LEU A 109 -2.857 -5.187 -0.938 1.00 0.08 H new ATOM 0 HB3 LEU A 109 -1.496 -5.678 0.052 1.00 0.08 H new ATOM 0 HG LEU A 109 -2.077 -2.820 -0.767 1.00 0.07 H new ATOM 0 HD11 LEU A 109 -2.790 -2.498 1.549 1.00 0.09 H new ATOM 0 HD12 LEU A 109 -3.819 -3.671 0.693 1.00 0.09 H new ATOM 0 HD13 LEU A 109 -2.591 -4.241 1.849 1.00 0.09 H new ATOM 0 HD21 LEU A 109 -0.436 -2.271 0.982 1.00 0.07 H new ATOM 0 HD22 LEU A 109 -0.152 -4.008 1.251 1.00 0.07 H new ATOM 0 HD23 LEU A 109 0.280 -3.267 -0.308 1.00 0.07 H new ATOM 964 N SER A 110 -1.203 -7.364 -2.237 1.00 0.10 N ATOM 965 CA SER A 110 -0.769 -8.731 -2.392 1.00 0.12 C ATOM 966 C SER A 110 0.201 -8.841 -3.561 1.00 0.12 C ATOM 967 O SER A 110 1.142 -9.633 -3.527 1.00 0.14 O ATOM 968 CB SER A 110 -1.968 -9.623 -2.607 1.00 0.15 C ATOM 969 OG SER A 110 -2.868 -9.544 -1.511 1.00 1.15 O ATOM 0 H SER A 110 -2.212 -7.232 -2.310 1.00 0.10 H new ATOM 0 HA SER A 110 -0.253 -9.052 -1.487 1.00 0.12 H new ATOM 0 HB2 SER A 110 -2.481 -9.333 -3.524 1.00 0.15 H new ATOM 0 HB3 SER A 110 -1.639 -10.654 -2.738 1.00 0.15 H new ATOM 0 HG SER A 110 -3.409 -8.730 -1.590 1.00 1.15 H new ATOM 975 N ARG A 111 -0.041 -8.033 -4.593 1.00 0.11 N ATOM 976 CA ARG A 111 0.875 -7.907 -5.711 1.00 0.12 C ATOM 977 C ARG A 111 2.250 -7.487 -5.222 1.00 0.11 C ATOM 978 O ARG A 111 3.226 -8.219 -5.372 1.00 0.13 O ATOM 979 CB ARG A 111 0.367 -6.841 -6.676 1.00 0.16 C ATOM 980 CG ARG A 111 -0.853 -7.224 -7.484 1.00 0.26 C ATOM 981 CD ARG A 111 -0.580 -8.333 -8.476 1.00 0.99 C ATOM 982 NE ARG A 111 -1.634 -8.393 -9.486 1.00 1.81 N ATOM 983 CZ ARG A 111 -1.792 -9.383 -10.360 1.00 2.57 C ATOM 984 NH1 ARG A 111 -1.000 -10.444 -10.332 1.00 2.67 N ATOM 985 NH2 ARG A 111 -2.759 -9.305 -11.264 1.00 3.55 N ATOM 0 H ARG A 111 -0.876 -7.452 -4.671 1.00 0.11 H new ATOM 0 HA ARG A 111 0.939 -8.873 -6.211 1.00 0.12 H new ATOM 0 HB2 ARG A 111 0.137 -5.940 -6.107 1.00 0.16 H new ATOM 0 HB3 ARG A 111 1.172 -6.586 -7.365 1.00 0.16 H new ATOM 0 HG2 ARG A 111 -1.647 -7.537 -6.806 1.00 0.26 H new ATOM 0 HG3 ARG A 111 -1.218 -6.347 -8.019 1.00 0.26 H new ATOM 0 HD2 ARG A 111 0.384 -8.168 -8.958 1.00 0.99 H new ATOM 0 HD3 ARG A 111 -0.515 -9.287 -7.953 1.00 0.99 H new ATOM 0 HE ARG A 111 -2.297 -7.619 -9.524 1.00 1.81 H new ATOM 0 HH11 ARG A 111 -0.258 -10.509 -9.635 1.00 2.67 H new ATOM 0 HH12 ARG A 111 -1.132 -11.197 -11.008 1.00 2.67 H new ATOM 0 HH21 ARG A 111 -3.373 -8.491 -11.285 1.00 3.55 H new ATOM 0 HH22 ARG A 111 -2.888 -10.059 -11.939 1.00 3.55 H new ATOM 999 N VAL A 112 2.304 -6.327 -4.580 1.00 0.10 N ATOM 1000 CA VAL A 112 3.574 -5.710 -4.235 1.00 0.10 C ATOM 1001 C VAL A 112 4.306 -6.463 -3.153 1.00 0.11 C ATOM 1002 O VAL A 112 5.502 -6.649 -3.255 1.00 0.12 O ATOM 1003 CB VAL A 112 3.437 -4.237 -3.811 1.00 0.10 C ATOM 1004 CG1 VAL A 112 3.246 -3.359 -5.019 1.00 0.11 C ATOM 1005 CG2 VAL A 112 2.298 -4.030 -2.843 1.00 0.10 C ATOM 0 H VAL A 112 1.483 -5.797 -4.289 1.00 0.10 H new ATOM 0 HA VAL A 112 4.156 -5.751 -5.156 1.00 0.10 H new ATOM 0 HB VAL A 112 4.361 -3.961 -3.302 1.00 0.10 H new ATOM 0 HG11 VAL A 112 3.151 -2.320 -4.702 1.00 0.11 H new ATOM 0 HG12 VAL A 112 4.106 -3.459 -5.681 1.00 0.11 H new ATOM 0 HG13 VAL A 112 2.343 -3.661 -5.549 1.00 0.11 H new ATOM 0 HG21 VAL A 112 2.239 -2.976 -2.571 1.00 0.10 H new ATOM 0 HG22 VAL A 112 1.363 -4.337 -3.311 1.00 0.10 H new ATOM 0 HG23 VAL A 112 2.469 -4.627 -1.947 1.00 0.10 H new ATOM 1015 N LEU A 113 3.599 -6.891 -2.124 1.00 0.10 N ATOM 1016 CA LEU A 113 4.225 -7.617 -1.030 1.00 0.11 C ATOM 1017 C LEU A 113 4.951 -8.855 -1.525 1.00 0.12 C ATOM 1018 O LEU A 113 6.133 -9.062 -1.249 1.00 0.14 O ATOM 1019 CB LEU A 113 3.179 -8.012 0.000 1.00 0.11 C ATOM 1020 CG LEU A 113 3.075 -7.031 1.140 1.00 0.12 C ATOM 1021 CD1 LEU A 113 1.946 -6.051 0.890 1.00 0.31 C ATOM 1022 CD2 LEU A 113 2.904 -7.756 2.453 1.00 0.28 C ATOM 0 H LEU A 113 2.594 -6.750 -2.021 1.00 0.10 H new ATOM 0 HA LEU A 113 4.960 -6.956 -0.570 1.00 0.11 H new ATOM 0 HB2 LEU A 113 2.209 -8.096 -0.489 1.00 0.11 H new ATOM 0 HB3 LEU A 113 3.422 -8.998 0.397 1.00 0.11 H new ATOM 0 HG LEU A 113 4.003 -6.462 1.200 1.00 0.12 H new ATOM 0 HD11 LEU A 113 1.883 -5.349 1.721 1.00 0.31 H new ATOM 0 HD12 LEU A 113 2.137 -5.504 -0.033 1.00 0.31 H new ATOM 0 HD13 LEU A 113 1.005 -6.594 0.802 1.00 0.31 H new ATOM 0 HD21 LEU A 113 2.831 -7.030 3.263 1.00 0.28 H new ATOM 0 HD22 LEU A 113 1.995 -8.357 2.421 1.00 0.28 H new ATOM 0 HD23 LEU A 113 3.762 -8.406 2.624 1.00 0.28 H new ATOM 1034 N SER A 114 4.222 -9.656 -2.258 1.00 0.13 N ATOM 1035 CA SER A 114 4.743 -10.896 -2.826 1.00 0.15 C ATOM 1036 C SER A 114 5.926 -10.616 -3.747 1.00 0.15 C ATOM 1037 O SER A 114 6.927 -11.340 -3.730 1.00 0.17 O ATOM 1038 CB SER A 114 3.643 -11.628 -3.592 1.00 0.17 C ATOM 1039 OG SER A 114 2.477 -11.767 -2.798 1.00 1.00 O ATOM 0 H SER A 114 3.244 -9.476 -2.485 1.00 0.13 H new ATOM 0 HA SER A 114 5.087 -11.528 -2.008 1.00 0.15 H new ATOM 0 HB2 SER A 114 3.403 -11.080 -4.503 1.00 0.17 H new ATOM 0 HB3 SER A 114 4.000 -12.612 -3.896 1.00 0.17 H new ATOM 0 HG SER A 114 1.988 -10.918 -2.784 1.00 1.00 H new ATOM 1045 N ARG A 115 5.807 -9.561 -4.545 1.00 0.13 N ATOM 1046 CA ARG A 115 6.893 -9.129 -5.406 1.00 0.14 C ATOM 1047 C ARG A 115 8.061 -8.630 -4.566 1.00 0.14 C ATOM 1048 O ARG A 115 9.213 -8.915 -4.856 1.00 0.18 O ATOM 1049 CB ARG A 115 6.425 -7.996 -6.313 1.00 0.17 C ATOM 1050 CG ARG A 115 5.375 -8.373 -7.341 1.00 0.24 C ATOM 1051 CD ARG A 115 4.823 -7.113 -7.987 1.00 0.35 C ATOM 1052 NE ARG A 115 3.790 -7.372 -8.988 1.00 0.84 N ATOM 1053 CZ ARG A 115 3.009 -6.421 -9.507 1.00 1.19 C ATOM 1054 NH1 ARG A 115 3.126 -5.163 -9.091 1.00 1.20 N ATOM 1055 NH2 ARG A 115 2.111 -6.725 -10.437 1.00 1.83 N ATOM 0 H ARG A 115 4.965 -8.990 -4.611 1.00 0.13 H new ATOM 0 HA ARG A 115 7.210 -9.979 -6.011 1.00 0.14 H new ATOM 0 HB2 ARG A 115 6.027 -7.196 -5.689 1.00 0.17 H new ATOM 0 HB3 ARG A 115 7.291 -7.591 -6.836 1.00 0.17 H new ATOM 0 HG2 ARG A 115 5.811 -9.023 -8.100 1.00 0.24 H new ATOM 0 HG3 ARG A 115 4.570 -8.933 -6.866 1.00 0.24 H new ATOM 0 HD2 ARG A 115 4.411 -6.468 -7.211 1.00 0.35 H new ATOM 0 HD3 ARG A 115 5.642 -6.566 -8.455 1.00 0.35 H new ATOM 0 HE ARG A 115 3.658 -8.332 -9.308 1.00 0.84 H new ATOM 0 HH11 ARG A 115 3.812 -4.924 -8.375 1.00 1.20 H new ATOM 0 HH12 ARG A 115 2.529 -4.437 -9.488 1.00 1.20 H new ATOM 0 HH21 ARG A 115 2.015 -7.688 -10.758 1.00 1.83 H new ATOM 0 HH22 ARG A 115 1.517 -5.995 -10.830 1.00 1.83 H new ATOM 1069 N ALA A 116 7.732 -7.870 -3.531 1.00 0.13 N ATOM 1070 CA ALA A 116 8.723 -7.200 -2.688 1.00 0.14 C ATOM 1071 C ALA A 116 9.622 -8.190 -1.963 1.00 0.16 C ATOM 1072 O ALA A 116 10.827 -7.980 -1.860 1.00 0.18 O ATOM 1073 CB ALA A 116 8.022 -6.278 -1.702 1.00 0.15 C ATOM 0 H ALA A 116 6.767 -7.698 -3.248 1.00 0.13 H new ATOM 0 HA ALA A 116 9.369 -6.607 -3.336 1.00 0.14 H new ATOM 0 HB1 ALA A 116 8.764 -5.782 -1.077 1.00 0.15 H new ATOM 0 HB2 ALA A 116 7.449 -5.529 -2.249 1.00 0.15 H new ATOM 0 HB3 ALA A 116 7.350 -6.862 -1.073 1.00 0.15 H new ATOM 1079 N ARG A 117 9.036 -9.269 -1.469 1.00 0.19 N ATOM 1080 CA ARG A 117 9.806 -10.304 -0.788 1.00 0.24 C ATOM 1081 C ARG A 117 10.765 -11.006 -1.742 1.00 0.26 C ATOM 1082 O ARG A 117 11.801 -11.532 -1.333 1.00 0.32 O ATOM 1083 CB ARG A 117 8.882 -11.324 -0.135 1.00 0.28 C ATOM 1084 CG ARG A 117 8.492 -10.942 1.275 1.00 0.61 C ATOM 1085 CD ARG A 117 7.075 -10.405 1.357 1.00 0.34 C ATOM 1086 NE ARG A 117 6.668 -10.139 2.739 1.00 1.22 N ATOM 1087 CZ ARG A 117 5.419 -10.269 3.185 1.00 1.38 C ATOM 1088 NH1 ARG A 117 4.474 -10.754 2.387 1.00 1.30 N ATOM 1089 NH2 ARG A 117 5.122 -9.950 4.441 1.00 2.33 N ATOM 0 H ARG A 117 8.034 -9.453 -1.525 1.00 0.19 H new ATOM 0 HA ARG A 117 10.395 -9.813 -0.013 1.00 0.24 H new ATOM 0 HB2 ARG A 117 7.982 -11.432 -0.740 1.00 0.28 H new ATOM 0 HB3 ARG A 117 9.374 -12.296 -0.120 1.00 0.28 H new ATOM 0 HG2 ARG A 117 8.586 -11.813 1.924 1.00 0.61 H new ATOM 0 HG3 ARG A 117 9.185 -10.189 1.650 1.00 0.61 H new ATOM 0 HD2 ARG A 117 7.001 -9.487 0.774 1.00 0.34 H new ATOM 0 HD3 ARG A 117 6.389 -11.123 0.909 1.00 0.34 H new ATOM 0 HE ARG A 117 7.384 -9.836 3.400 1.00 1.22 H new ATOM 0 HH11 ARG A 117 4.704 -11.027 1.432 1.00 1.30 H new ATOM 0 HH12 ARG A 117 3.518 -10.853 2.730 1.00 1.30 H new ATOM 0 HH21 ARG A 117 5.851 -9.605 5.066 1.00 2.33 H new ATOM 0 HH22 ARG A 117 4.165 -10.050 4.780 1.00 2.33 H new ATOM 1103 N SER A 118 10.409 -11.008 -3.011 1.00 0.26 N ATOM 1104 CA SER A 118 11.225 -11.635 -4.039 1.00 0.31 C ATOM 1105 C SER A 118 12.212 -10.638 -4.613 1.00 0.28 C ATOM 1106 O SER A 118 13.347 -10.974 -4.947 1.00 0.32 O ATOM 1107 CB SER A 118 10.333 -12.150 -5.158 1.00 0.37 C ATOM 1108 OG SER A 118 10.912 -13.265 -5.818 1.00 0.68 O ATOM 0 H SER A 118 9.552 -10.579 -3.360 1.00 0.26 H new ATOM 0 HA SER A 118 11.773 -12.463 -3.589 1.00 0.31 H new ATOM 0 HB2 SER A 118 9.363 -12.432 -4.750 1.00 0.37 H new ATOM 0 HB3 SER A 118 10.156 -11.352 -5.879 1.00 0.37 H new ATOM 0 HG SER A 118 10.312 -13.572 -6.530 1.00 0.68 H new ATOM 1114 N ARG A 119 11.764 -9.412 -4.718 1.00 0.23 N ATOM 1115 CA ARG A 119 12.520 -8.371 -5.359 1.00 0.20 C ATOM 1116 C ARG A 119 12.569 -7.128 -4.498 1.00 0.18 C ATOM 1117 O ARG A 119 11.925 -6.123 -4.794 1.00 0.17 O ATOM 1118 CB ARG A 119 11.886 -8.062 -6.701 1.00 0.25 C ATOM 1119 CG ARG A 119 12.398 -8.940 -7.816 1.00 0.33 C ATOM 1120 CD ARG A 119 13.678 -8.374 -8.410 1.00 0.33 C ATOM 1121 NE ARG A 119 14.349 -9.335 -9.284 1.00 0.55 N ATOM 1122 CZ ARG A 119 14.986 -9.006 -10.407 1.00 0.97 C ATOM 1123 NH1 ARG A 119 15.042 -7.740 -10.799 1.00 1.48 N ATOM 1124 NH2 ARG A 119 15.577 -9.945 -11.136 1.00 1.19 N ATOM 0 H ARG A 119 10.859 -9.109 -4.358 1.00 0.23 H new ATOM 0 HA ARG A 119 13.546 -8.710 -5.505 1.00 0.20 H new ATOM 0 HB2 ARG A 119 10.805 -8.180 -6.621 1.00 0.25 H new ATOM 0 HB3 ARG A 119 12.075 -7.018 -6.953 1.00 0.25 H new ATOM 0 HG2 ARG A 119 12.582 -9.945 -7.437 1.00 0.33 H new ATOM 0 HG3 ARG A 119 11.639 -9.026 -8.594 1.00 0.33 H new ATOM 0 HD2 ARG A 119 13.447 -7.471 -8.975 1.00 0.33 H new ATOM 0 HD3 ARG A 119 14.353 -8.083 -7.605 1.00 0.33 H new ATOM 0 HE ARG A 119 14.328 -10.319 -9.017 1.00 0.55 H new ATOM 0 HH11 ARG A 119 14.596 -7.013 -10.240 1.00 1.48 H new ATOM 0 HH12 ARG A 119 15.531 -7.494 -11.660 1.00 1.48 H new ATOM 0 HH21 ARG A 119 15.544 -10.919 -10.837 1.00 1.19 H new ATOM 0 HH22 ARG A 119 16.064 -9.692 -11.996 1.00 1.19 H new ATOM 1138 N PRO A 120 13.354 -7.180 -3.427 1.00 0.19 N ATOM 1139 CA PRO A 120 13.538 -6.047 -2.529 1.00 0.19 C ATOM 1140 C PRO A 120 14.308 -4.907 -3.193 1.00 0.20 C ATOM 1141 O PRO A 120 14.440 -3.820 -2.628 1.00 0.21 O ATOM 1142 CB PRO A 120 14.322 -6.656 -1.375 1.00 0.23 C ATOM 1143 CG PRO A 120 15.077 -7.760 -2.004 1.00 0.25 C ATOM 1144 CD PRO A 120 14.113 -8.359 -2.976 1.00 0.22 C ATOM 0 HA PRO A 120 12.597 -5.592 -2.220 1.00 0.19 H new ATOM 0 HB2 PRO A 120 14.989 -5.926 -0.916 1.00 0.23 H new ATOM 0 HB3 PRO A 120 13.660 -7.021 -0.590 1.00 0.23 H new ATOM 0 HG2 PRO A 120 15.973 -7.394 -2.506 1.00 0.25 H new ATOM 0 HG3 PRO A 120 15.403 -8.491 -1.264 1.00 0.25 H new ATOM 0 HD2 PRO A 120 14.623 -8.855 -3.802 1.00 0.22 H new ATOM 0 HD3 PRO A 120 13.469 -9.102 -2.506 1.00 0.22 H new ATOM 1152 N ALA A 121 14.819 -5.157 -4.399 1.00 0.20 N ATOM 1153 CA ALA A 121 15.417 -4.096 -5.203 1.00 0.22 C ATOM 1154 C ALA A 121 14.307 -3.297 -5.847 1.00 0.19 C ATOM 1155 O ALA A 121 14.367 -2.075 -5.973 1.00 0.21 O ATOM 1156 CB ALA A 121 16.323 -4.668 -6.277 1.00 0.25 C ATOM 0 H ALA A 121 14.830 -6.078 -4.836 1.00 0.20 H new ATOM 0 HA ALA A 121 16.022 -3.459 -4.558 1.00 0.22 H new ATOM 0 HB1 ALA A 121 16.754 -3.855 -6.860 1.00 0.25 H new ATOM 0 HB2 ALA A 121 17.122 -5.243 -5.810 1.00 0.25 H new ATOM 0 HB3 ALA A 121 15.744 -5.318 -6.933 1.00 0.25 H new ATOM 1162 N LYS A 122 13.274 -4.028 -6.220 1.00 0.16 N ATOM 1163 CA LYS A 122 12.109 -3.451 -6.845 1.00 0.16 C ATOM 1164 C LYS A 122 11.135 -2.961 -5.792 1.00 0.11 C ATOM 1165 O LYS A 122 10.055 -2.498 -6.121 1.00 0.11 O ATOM 1166 CB LYS A 122 11.437 -4.458 -7.760 1.00 0.20 C ATOM 1167 CG LYS A 122 12.340 -4.910 -8.883 1.00 0.27 C ATOM 1168 CD LYS A 122 11.597 -5.027 -10.190 1.00 0.41 C ATOM 1169 CE LYS A 122 10.447 -5.990 -10.078 1.00 0.79 C ATOM 1170 NZ LYS A 122 9.649 -6.068 -11.326 1.00 1.07 N ATOM 0 H LYS A 122 13.223 -5.039 -6.096 1.00 0.16 H new ATOM 0 HA LYS A 122 12.428 -2.601 -7.448 1.00 0.16 H new ATOM 0 HB2 LYS A 122 11.127 -5.325 -7.176 1.00 0.20 H new ATOM 0 HB3 LYS A 122 10.533 -4.016 -8.180 1.00 0.20 H new ATOM 0 HG2 LYS A 122 13.162 -4.203 -8.995 1.00 0.27 H new ATOM 0 HG3 LYS A 122 12.781 -5.874 -8.629 1.00 0.27 H new ATOM 0 HD2 LYS A 122 11.226 -4.047 -10.489 1.00 0.41 H new ATOM 0 HD3 LYS A 122 12.280 -5.361 -10.971 1.00 0.41 H new ATOM 0 HE2 LYS A 122 10.829 -6.981 -9.832 1.00 0.79 H new ATOM 0 HE3 LYS A 122 9.800 -5.685 -9.255 1.00 0.79 H new ATOM 0 HZ1 LYS A 122 8.869 -6.744 -11.198 1.00 1.07 H new ATOM 0 HZ2 LYS A 122 9.260 -5.129 -11.549 1.00 1.07 H new ATOM 0 HZ3 LYS A 122 10.257 -6.385 -12.108 1.00 1.07 H new ATOM 1184 N LEU A 123 11.507 -3.109 -4.519 1.00 0.10 N ATOM 1185 CA LEU A 123 10.728 -2.568 -3.418 1.00 0.08 C ATOM 1186 C LEU A 123 10.271 -1.147 -3.688 1.00 0.08 C ATOM 1187 O LEU A 123 9.119 -0.836 -3.466 1.00 0.13 O ATOM 1188 CB LEU A 123 11.539 -2.595 -2.137 1.00 0.12 C ATOM 1189 CG LEU A 123 10.810 -2.049 -0.921 1.00 0.14 C ATOM 1190 CD1 LEU A 123 9.546 -2.840 -0.657 1.00 0.12 C ATOM 1191 CD2 LEU A 123 11.710 -2.067 0.286 1.00 0.23 C ATOM 0 H LEU A 123 12.351 -3.604 -4.230 1.00 0.10 H new ATOM 0 HA LEU A 123 9.843 -3.196 -3.314 1.00 0.08 H new ATOM 0 HB2 LEU A 123 11.840 -3.623 -1.934 1.00 0.12 H new ATOM 0 HB3 LEU A 123 12.452 -2.019 -2.287 1.00 0.12 H new ATOM 0 HG LEU A 123 10.529 -1.016 -1.124 1.00 0.14 H new ATOM 0 HD11 LEU A 123 9.038 -2.433 0.218 1.00 0.12 H new ATOM 0 HD12 LEU A 123 8.887 -2.773 -1.523 1.00 0.12 H new ATOM 0 HD13 LEU A 123 9.801 -3.884 -0.476 1.00 0.12 H new ATOM 0 HD21 LEU A 123 11.171 -1.672 1.147 1.00 0.23 H new ATOM 0 HD22 LEU A 123 12.023 -3.091 0.491 1.00 0.23 H new ATOM 0 HD23 LEU A 123 12.588 -1.451 0.094 1.00 0.23 H new ATOM 1203 N TYR A 124 11.155 -0.294 -4.184 1.00 0.11 N ATOM 1204 CA TYR A 124 10.781 1.049 -4.543 1.00 0.10 C ATOM 1205 C TYR A 124 9.730 1.067 -5.616 1.00 0.11 C ATOM 1206 O TYR A 124 8.880 1.935 -5.618 1.00 0.14 O ATOM 1207 CB TYR A 124 11.983 1.814 -5.014 1.00 0.14 C ATOM 1208 CG TYR A 124 12.349 2.863 -4.042 1.00 0.57 C ATOM 1209 CD1 TYR A 124 12.321 2.554 -2.712 1.00 0.33 C ATOM 1210 CD2 TYR A 124 12.723 4.132 -4.430 1.00 1.30 C ATOM 1211 CE1 TYR A 124 12.648 3.462 -1.772 1.00 0.74 C ATOM 1212 CE2 TYR A 124 13.057 5.075 -3.491 1.00 1.74 C ATOM 1213 CZ TYR A 124 13.023 4.739 -2.156 1.00 1.45 C ATOM 1214 OH TYR A 124 13.350 5.680 -1.217 1.00 1.89 O ATOM 0 H TYR A 124 12.137 -0.517 -4.344 1.00 0.11 H new ATOM 0 HA TYR A 124 10.367 1.520 -3.651 1.00 0.10 H new ATOM 0 HB2 TYR A 124 12.822 1.132 -5.154 1.00 0.14 H new ATOM 0 HB3 TYR A 124 11.775 2.267 -5.984 1.00 0.14 H new ATOM 0 HD1 TYR A 124 12.030 1.560 -2.407 1.00 0.33 H new ATOM 0 HD2 TYR A 124 12.753 4.385 -5.479 1.00 1.30 H new ATOM 0 HE1 TYR A 124 12.618 3.196 -0.726 1.00 0.74 H new ATOM 0 HE2 TYR A 124 13.344 6.071 -3.796 1.00 1.74 H new ATOM 0 HH TYR A 124 14.275 5.973 -1.356 1.00 1.89 H new ATOM 1224 N VAL A 125 9.760 0.100 -6.507 1.00 0.10 N ATOM 1225 CA VAL A 125 8.768 0.038 -7.557 1.00 0.12 C ATOM 1226 C VAL A 125 7.427 -0.120 -6.903 1.00 0.11 C ATOM 1227 O VAL A 125 6.465 0.546 -7.237 1.00 0.14 O ATOM 1228 CB VAL A 125 8.987 -1.173 -8.469 1.00 0.15 C ATOM 1229 CG1 VAL A 125 7.938 -1.218 -9.549 1.00 0.20 C ATOM 1230 CG2 VAL A 125 10.378 -1.163 -9.061 1.00 0.18 C ATOM 0 H VAL A 125 10.454 -0.647 -6.526 1.00 0.10 H new ATOM 0 HA VAL A 125 8.837 0.944 -8.159 1.00 0.12 H new ATOM 0 HB VAL A 125 8.892 -2.076 -7.865 1.00 0.15 H new ATOM 0 HG11 VAL A 125 8.110 -2.085 -10.187 1.00 0.20 H new ATOM 0 HG12 VAL A 125 6.950 -1.292 -9.094 1.00 0.20 H new ATOM 0 HG13 VAL A 125 7.994 -0.309 -10.149 1.00 0.20 H new ATOM 0 HG21 VAL A 125 10.506 -2.034 -9.704 1.00 0.18 H new ATOM 0 HG22 VAL A 125 10.517 -0.255 -9.648 1.00 0.18 H new ATOM 0 HG23 VAL A 125 11.115 -1.193 -8.259 1.00 0.18 H new ATOM 1240 N TYR A 126 7.438 -0.993 -5.921 1.00 0.07 N ATOM 1241 CA TYR A 126 6.275 -1.367 -5.150 1.00 0.08 C ATOM 1242 C TYR A 126 5.872 -0.249 -4.197 1.00 0.08 C ATOM 1243 O TYR A 126 4.694 0.071 -4.063 1.00 0.10 O ATOM 1244 CB TYR A 126 6.644 -2.636 -4.390 1.00 0.11 C ATOM 1245 CG TYR A 126 7.261 -3.683 -5.287 1.00 0.15 C ATOM 1246 CD1 TYR A 126 6.853 -3.839 -6.609 1.00 0.18 C ATOM 1247 CD2 TYR A 126 8.269 -4.497 -4.817 1.00 0.21 C ATOM 1248 CE1 TYR A 126 7.439 -4.783 -7.426 1.00 0.25 C ATOM 1249 CE2 TYR A 126 8.854 -5.447 -5.629 1.00 0.27 C ATOM 1250 CZ TYR A 126 8.436 -5.583 -6.927 1.00 0.28 C ATOM 1251 OH TYR A 126 9.009 -6.540 -7.725 1.00 0.36 O ATOM 0 H TYR A 126 8.286 -1.478 -5.628 1.00 0.07 H new ATOM 0 HA TYR A 126 5.416 -1.543 -5.798 1.00 0.08 H new ATOM 0 HB2 TYR A 126 7.343 -2.388 -3.591 1.00 0.11 H new ATOM 0 HB3 TYR A 126 5.752 -3.046 -3.917 1.00 0.11 H new ATOM 0 HD1 TYR A 126 6.066 -3.211 -7.000 1.00 0.18 H new ATOM 0 HD2 TYR A 126 8.606 -4.390 -3.797 1.00 0.21 H new ATOM 0 HE1 TYR A 126 7.116 -4.892 -8.451 1.00 0.25 H new ATOM 0 HE2 TYR A 126 9.638 -6.081 -5.243 1.00 0.27 H new ATOM 0 HH TYR A 126 8.390 -6.778 -8.447 1.00 0.36 H new ATOM 1261 N ILE A 127 6.860 0.331 -3.531 1.00 0.08 N ATOM 1262 CA ILE A 127 6.668 1.497 -2.686 1.00 0.11 C ATOM 1263 C ILE A 127 6.062 2.632 -3.489 1.00 0.12 C ATOM 1264 O ILE A 127 5.011 3.169 -3.138 1.00 0.14 O ATOM 1265 CB ILE A 127 8.019 1.943 -2.085 1.00 0.11 C ATOM 1266 CG1 ILE A 127 8.520 0.888 -1.113 1.00 0.12 C ATOM 1267 CG2 ILE A 127 7.904 3.283 -1.379 1.00 0.12 C ATOM 1268 CD1 ILE A 127 9.981 1.035 -0.790 1.00 0.13 C ATOM 0 H ILE A 127 7.825 0.002 -3.563 1.00 0.08 H new ATOM 0 HA ILE A 127 5.987 1.234 -1.877 1.00 0.11 H new ATOM 0 HB ILE A 127 8.729 2.058 -2.904 1.00 0.11 H new ATOM 0 HG12 ILE A 127 7.942 0.947 -0.191 1.00 0.12 H new ATOM 0 HG13 ILE A 127 8.345 -0.101 -1.536 1.00 0.12 H new ATOM 0 HG21 ILE A 127 8.875 3.563 -0.969 1.00 0.12 H new ATOM 0 HG22 ILE A 127 7.578 4.042 -2.090 1.00 0.12 H new ATOM 0 HG23 ILE A 127 7.177 3.207 -0.570 1.00 0.12 H new ATOM 0 HD11 ILE A 127 10.280 0.253 -0.092 1.00 0.13 H new ATOM 0 HD12 ILE A 127 10.567 0.947 -1.705 1.00 0.13 H new ATOM 0 HD13 ILE A 127 10.157 2.011 -0.339 1.00 0.13 H new ATOM 1280 N ASN A 128 6.726 2.977 -4.582 1.00 0.12 N ATOM 1281 CA ASN A 128 6.206 3.983 -5.498 1.00 0.15 C ATOM 1282 C ASN A 128 4.859 3.555 -6.071 1.00 0.12 C ATOM 1283 O ASN A 128 3.975 4.383 -6.262 1.00 0.12 O ATOM 1284 CB ASN A 128 7.190 4.254 -6.641 1.00 0.20 C ATOM 1285 CG ASN A 128 8.387 5.088 -6.213 1.00 0.30 C ATOM 1286 OD1 ASN A 128 8.355 6.317 -6.285 1.00 0.82 O ATOM 1287 ND2 ASN A 128 9.447 4.428 -5.772 1.00 0.42 N ATOM 0 H ASN A 128 7.623 2.577 -4.856 1.00 0.12 H new ATOM 0 HA ASN A 128 6.072 4.902 -4.928 1.00 0.15 H new ATOM 0 HB2 ASN A 128 7.542 3.304 -7.042 1.00 0.20 H new ATOM 0 HB3 ASN A 128 6.667 4.767 -7.448 1.00 0.20 H new ATOM 0 HD21 ASN A 128 10.279 4.939 -5.476 1.00 0.42 H new ATOM 0 HD22 ASN A 128 9.432 3.409 -5.728 1.00 0.42 H new ATOM 1294 N GLU A 129 4.707 2.262 -6.333 1.00 0.11 N ATOM 1295 CA GLU A 129 3.474 1.717 -6.887 1.00 0.10 C ATOM 1296 C GLU A 129 2.308 1.947 -5.956 1.00 0.09 C ATOM 1297 O GLU A 129 1.307 2.549 -6.334 1.00 0.14 O ATOM 1298 CB GLU A 129 3.623 0.220 -7.148 1.00 0.14 C ATOM 1299 CG GLU A 129 3.271 -0.153 -8.551 1.00 0.26 C ATOM 1300 CD GLU A 129 3.659 -1.565 -8.920 1.00 1.41 C ATOM 1301 OE1 GLU A 129 4.863 -1.834 -9.086 1.00 2.29 O ATOM 1302 OE2 GLU A 129 2.749 -2.410 -9.069 1.00 1.55 O ATOM 0 H GLU A 129 5.432 1.564 -6.168 1.00 0.11 H new ATOM 0 HA GLU A 129 3.279 2.234 -7.827 1.00 0.10 H new ATOM 0 HB2 GLU A 129 4.650 -0.081 -6.942 1.00 0.14 H new ATOM 0 HB3 GLU A 129 2.985 -0.331 -6.458 1.00 0.14 H new ATOM 0 HG2 GLU A 129 2.197 -0.033 -8.691 1.00 0.26 H new ATOM 0 HG3 GLU A 129 3.761 0.540 -9.235 1.00 0.26 H new ATOM 1309 N LEU A 130 2.466 1.480 -4.738 1.00 0.07 N ATOM 1310 CA LEU A 130 1.437 1.588 -3.733 1.00 0.08 C ATOM 1311 C LEU A 130 1.156 3.051 -3.443 1.00 0.09 C ATOM 1312 O LEU A 130 0.011 3.446 -3.281 1.00 0.10 O ATOM 1313 CB LEU A 130 1.877 0.870 -2.470 1.00 0.08 C ATOM 1314 CG LEU A 130 0.747 0.237 -1.672 1.00 0.09 C ATOM 1315 CD1 LEU A 130 0.107 -0.896 -2.454 1.00 0.10 C ATOM 1316 CD2 LEU A 130 1.274 -0.260 -0.344 1.00 0.08 C ATOM 0 H LEU A 130 3.315 1.014 -4.417 1.00 0.07 H new ATOM 0 HA LEU A 130 0.522 1.122 -4.098 1.00 0.08 H new ATOM 0 HB2 LEU A 130 2.592 0.093 -2.740 1.00 0.08 H new ATOM 0 HB3 LEU A 130 2.403 1.579 -1.830 1.00 0.08 H new ATOM 0 HG LEU A 130 -0.019 0.990 -1.487 1.00 0.09 H new ATOM 0 HD11 LEU A 130 -0.699 -1.335 -1.865 1.00 0.10 H new ATOM 0 HD12 LEU A 130 -0.296 -0.510 -3.390 1.00 0.10 H new ATOM 0 HD13 LEU A 130 0.856 -1.658 -2.669 1.00 0.10 H new ATOM 0 HD21 LEU A 130 0.461 -0.712 0.224 1.00 0.08 H new ATOM 0 HD22 LEU A 130 2.053 -1.002 -0.517 1.00 0.08 H new ATOM 0 HD23 LEU A 130 1.688 0.576 0.219 1.00 0.08 H new ATOM 1328 N CYS A 131 2.214 3.857 -3.413 1.00 0.11 N ATOM 1329 CA CYS A 131 2.071 5.294 -3.241 1.00 0.13 C ATOM 1330 C CYS A 131 1.244 5.879 -4.384 1.00 0.13 C ATOM 1331 O CYS A 131 0.357 6.697 -4.163 1.00 0.14 O ATOM 1332 CB CYS A 131 3.443 5.965 -3.188 1.00 0.18 C ATOM 1333 SG CYS A 131 3.393 7.767 -3.266 1.00 1.39 S ATOM 0 H CYS A 131 3.178 3.537 -3.506 1.00 0.11 H new ATOM 0 HA CYS A 131 1.556 5.482 -2.299 1.00 0.13 H new ATOM 0 HB2 CYS A 131 3.945 5.667 -2.267 1.00 0.18 H new ATOM 0 HB3 CYS A 131 4.048 5.594 -4.015 1.00 0.18 H new ATOM 0 HG CYS A 131 4.253 8.262 -2.426 1.00 1.39 H new ATOM 1339 N THR A 132 1.534 5.431 -5.603 1.00 0.12 N ATOM 1340 CA THR A 132 0.813 5.876 -6.792 1.00 0.14 C ATOM 1341 C THR A 132 -0.642 5.440 -6.705 1.00 0.11 C ATOM 1342 O THR A 132 -1.553 6.210 -6.987 1.00 0.15 O ATOM 1343 CB THR A 132 1.454 5.301 -8.073 1.00 0.17 C ATOM 1344 OG1 THR A 132 2.813 5.739 -8.168 1.00 0.20 O ATOM 1345 CG2 THR A 132 0.692 5.724 -9.319 1.00 0.24 C ATOM 0 H THR A 132 2.272 4.753 -5.794 1.00 0.12 H new ATOM 0 HA THR A 132 0.866 6.964 -6.839 1.00 0.14 H new ATOM 0 HB THR A 132 1.416 4.214 -8.009 1.00 0.17 H new ATOM 0 HG1 THR A 132 3.360 5.252 -7.517 1.00 0.20 H new ATOM 0 HG21 THR A 132 1.173 5.300 -10.201 1.00 0.24 H new ATOM 0 HG22 THR A 132 -0.335 5.364 -9.257 1.00 0.24 H new ATOM 0 HG23 THR A 132 0.691 6.811 -9.393 1.00 0.24 H new ATOM 1353 N VAL A 133 -0.828 4.191 -6.318 1.00 0.09 N ATOM 1354 CA VAL A 133 -2.132 3.620 -6.019 1.00 0.07 C ATOM 1355 C VAL A 133 -2.910 4.466 -5.020 1.00 0.07 C ATOM 1356 O VAL A 133 -4.080 4.789 -5.225 1.00 0.08 O ATOM 1357 CB VAL A 133 -1.911 2.214 -5.449 1.00 0.07 C ATOM 1358 CG1 VAL A 133 -3.107 1.697 -4.686 1.00 0.08 C ATOM 1359 CG2 VAL A 133 -1.552 1.270 -6.566 1.00 0.10 C ATOM 0 H VAL A 133 -0.061 3.529 -6.200 1.00 0.09 H new ATOM 0 HA VAL A 133 -2.722 3.585 -6.935 1.00 0.07 H new ATOM 0 HB VAL A 133 -1.091 2.275 -4.734 1.00 0.07 H new ATOM 0 HG11 VAL A 133 -2.892 0.698 -4.306 1.00 0.08 H new ATOM 0 HG12 VAL A 133 -3.322 2.364 -3.851 1.00 0.08 H new ATOM 0 HG13 VAL A 133 -3.971 1.655 -5.349 1.00 0.08 H new ATOM 0 HG21 VAL A 133 -1.395 0.270 -6.161 1.00 0.10 H new ATOM 0 HG22 VAL A 133 -2.362 1.243 -7.294 1.00 0.10 H new ATOM 0 HG23 VAL A 133 -0.638 1.612 -7.052 1.00 0.10 H new ATOM 1369 N LEU A 134 -2.241 4.824 -3.949 1.00 0.10 N ATOM 1370 CA LEU A 134 -2.843 5.609 -2.886 1.00 0.11 C ATOM 1371 C LEU A 134 -3.086 7.039 -3.348 1.00 0.14 C ATOM 1372 O LEU A 134 -4.048 7.684 -2.936 1.00 0.18 O ATOM 1373 CB LEU A 134 -1.914 5.573 -1.680 1.00 0.12 C ATOM 1374 CG LEU A 134 -1.701 4.175 -1.101 1.00 0.12 C ATOM 1375 CD1 LEU A 134 -0.578 4.188 -0.083 1.00 0.17 C ATOM 1376 CD2 LEU A 134 -2.986 3.643 -0.490 1.00 0.16 C ATOM 0 H LEU A 134 -1.264 4.581 -3.786 1.00 0.10 H new ATOM 0 HA LEU A 134 -3.811 5.189 -2.613 1.00 0.11 H new ATOM 0 HB2 LEU A 134 -0.947 5.988 -1.966 1.00 0.12 H new ATOM 0 HB3 LEU A 134 -2.320 6.219 -0.902 1.00 0.12 H new ATOM 0 HG LEU A 134 -1.416 3.506 -1.912 1.00 0.12 H new ATOM 0 HD11 LEU A 134 -0.440 3.184 0.319 1.00 0.17 H new ATOM 0 HD12 LEU A 134 0.344 4.517 -0.563 1.00 0.17 H new ATOM 0 HD13 LEU A 134 -0.829 4.872 0.727 1.00 0.17 H new ATOM 0 HD21 LEU A 134 -2.811 2.647 -0.084 1.00 0.16 H new ATOM 0 HD22 LEU A 134 -3.311 4.308 0.310 1.00 0.16 H new ATOM 0 HD23 LEU A 134 -3.759 3.592 -1.256 1.00 0.16 H new ATOM 1388 N LYS A 135 -2.201 7.515 -4.210 1.00 0.14 N ATOM 1389 CA LYS A 135 -2.295 8.825 -4.807 1.00 0.17 C ATOM 1390 C LYS A 135 -3.410 8.836 -5.832 1.00 0.15 C ATOM 1391 O LYS A 135 -4.015 9.870 -6.133 1.00 0.18 O ATOM 1392 CB LYS A 135 -0.958 9.150 -5.469 1.00 0.23 C ATOM 1393 CG LYS A 135 -0.349 10.441 -4.986 1.00 0.56 C ATOM 1394 CD LYS A 135 -1.225 11.606 -5.371 1.00 0.68 C ATOM 1395 CE LYS A 135 -1.099 11.926 -6.854 1.00 1.32 C ATOM 1396 NZ LYS A 135 0.311 12.192 -7.246 1.00 1.82 N ATOM 0 H LYS A 135 -1.384 6.986 -4.516 1.00 0.14 H new ATOM 0 HA LYS A 135 -2.518 9.575 -4.048 1.00 0.17 H new ATOM 0 HB2 LYS A 135 -0.260 8.335 -5.280 1.00 0.23 H new ATOM 0 HB3 LYS A 135 -1.099 9.205 -6.548 1.00 0.23 H new ATOM 0 HG2 LYS A 135 -0.226 10.411 -3.903 1.00 0.56 H new ATOM 0 HG3 LYS A 135 0.645 10.566 -5.416 1.00 0.56 H new ATOM 0 HD2 LYS A 135 -2.264 11.377 -5.133 1.00 0.68 H new ATOM 0 HD3 LYS A 135 -0.949 12.481 -4.783 1.00 0.68 H new ATOM 0 HE2 LYS A 135 -1.488 11.093 -7.440 1.00 1.32 H new ATOM 0 HE3 LYS A 135 -1.712 12.796 -7.091 1.00 1.32 H new ATOM 0 HZ1 LYS A 135 0.328 12.737 -8.132 1.00 1.82 H new ATOM 0 HZ2 LYS A 135 0.783 12.736 -6.496 1.00 1.82 H new ATOM 0 HZ3 LYS A 135 0.809 11.290 -7.385 1.00 1.82 H new ATOM 1410 N ALA A 136 -3.674 7.659 -6.355 1.00 0.13 N ATOM 1411 CA ALA A 136 -4.710 7.466 -7.326 1.00 0.14 C ATOM 1412 C ALA A 136 -6.062 7.473 -6.644 1.00 0.16 C ATOM 1413 O ALA A 136 -7.002 8.114 -7.100 1.00 0.21 O ATOM 1414 CB ALA A 136 -4.495 6.148 -8.054 1.00 0.17 C ATOM 0 H ALA A 136 -3.168 6.807 -6.112 1.00 0.13 H new ATOM 0 HA ALA A 136 -4.678 8.279 -8.052 1.00 0.14 H new ATOM 0 HB1 ALA A 136 -5.285 6.006 -8.791 1.00 0.17 H new ATOM 0 HB2 ALA A 136 -3.528 6.164 -8.557 1.00 0.17 H new ATOM 0 HB3 ALA A 136 -4.517 5.328 -7.336 1.00 0.17 H new ATOM 1420 N HIS A 137 -6.136 6.784 -5.513 1.00 0.18 N ATOM 1421 CA HIS A 137 -7.403 6.535 -4.851 1.00 0.23 C ATOM 1422 C HIS A 137 -7.439 7.190 -3.477 1.00 0.24 C ATOM 1423 O HIS A 137 -7.797 6.563 -2.480 1.00 0.25 O ATOM 1424 CB HIS A 137 -7.627 5.029 -4.728 1.00 0.24 C ATOM 1425 CG HIS A 137 -7.427 4.292 -6.019 1.00 0.26 C ATOM 1426 ND1 HIS A 137 -7.925 4.727 -7.224 1.00 0.29 N ATOM 1427 CD2 HIS A 137 -6.734 3.166 -6.291 1.00 0.30 C ATOM 1428 CE1 HIS A 137 -7.544 3.901 -8.177 1.00 0.32 C ATOM 1429 NE2 HIS A 137 -6.823 2.935 -7.640 1.00 0.34 N ATOM 0 H HIS A 137 -5.327 6.387 -5.035 1.00 0.18 H new ATOM 0 HA HIS A 137 -8.202 6.972 -5.450 1.00 0.23 H new ATOM 0 HB2 HIS A 137 -6.945 4.627 -3.979 1.00 0.24 H new ATOM 0 HB3 HIS A 137 -8.639 4.848 -4.367 1.00 0.24 H new ATOM 0 HD2 HIS A 137 -6.204 2.556 -5.574 1.00 0.30 H new ATOM 0 HE1 HIS A 137 -7.783 3.998 -9.226 1.00 0.32 H new ATOM 0 HE2 HIS A 137 -6.404 2.152 -8.142 1.00 0.34 H new