USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 540 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 100 ASN :FLIP amide:sc= -0.964 F(o=-4.4,f=-1.7) USER MOD Set 1.2: A 144 HIS :FLIP no HD1:sc= -0.737 X(o=-1.9,f=-1.7) USER MOD Set 2.1: A 116 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 120 SER OG : rot 147:sc= 0.148 USER MOD Single : A 104 LYS NZ :NH3+ 165:sc= -0.0361 (180deg=-0.239) USER MOD Single : A 105 ASN : amide:sc= 1.05 K(o=1,f=-1.3) USER MOD Single : A 108 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.066) USER MOD Single : A 109 SER OG : rot 85:sc= 1.19 USER MOD Single : A 112 ASN : amide:sc= 0.97 K(o=0.97,f=-6!) USER MOD Single : A 113 LYS NZ :NH3+ -164:sc= -0.353 (180deg=-0.715) USER MOD Single : A 118 THR OG1 : rot 81:sc= 1.17 USER MOD Single : A 124 ASN : amide:sc= 1.1 K(o=1.1,f=-0.95) USER MOD Single : A 127 SER OG : rot 180:sc= -0.0301 USER MOD Single : A 128 CYS SG : rot 34:sc= -3.45! USER MOD Single : A 129 LYS NZ :NH3+ -157:sc= 0.499 (180deg=-0.116) USER MOD Single : A 140 TYR OH : rot 180:sc= 0 USER MOD Single : A 147 THR OG1 : rot 180:sc=-0.00472 USER MOD Single : A 148 GLN : amide:sc= 0.0437 X(o=0.044,f=-0.046) USER MOD Single : A 157 LYS NZ :NH3+ -128:sc= -0.0848 (180deg=-0.499) USER MOD Single : A 158 MET CE :methyl -167:sc= -0.776 (180deg=-1.31) USER MOD Single : A 159 ASN : amide:sc= -0.631 K(o=-0.63,f=-4.9!) USER MOD Single : A 161 MET CE :methyl -103:sc= -0.126 (180deg=-0.627) USER MOD Single : A 164 ASN : amide:sc= -2.68! C(o=-2.7!,f=-11!) USER MOD Single : A 167 LYS NZ :NH3+ -117:sc= -0.9 (180deg=-2.96!) USER MOD ----------------------------------------------------------------- ATOM 140 N VAL A 98 11.235 -1.755 4.448 1.00 0.29 N ATOM 141 CA VAL A 98 11.032 -3.196 4.249 1.00 0.33 C ATOM 142 C VAL A 98 9.563 -3.547 4.113 1.00 0.25 C ATOM 143 O VAL A 98 8.777 -3.340 5.033 1.00 0.27 O ATOM 144 CB VAL A 98 11.642 -4.065 5.364 1.00 0.49 C ATOM 145 CG1 VAL A 98 11.123 -5.491 5.269 1.00 0.47 C ATOM 146 CG2 VAL A 98 13.147 -4.067 5.275 1.00 0.71 C ATOM 0 HA VAL A 98 11.556 -3.420 3.320 1.00 0.33 H new ATOM 0 HB VAL A 98 11.346 -3.640 6.323 1.00 0.49 H new ATOM 0 HG11 VAL A 98 11.564 -6.092 6.064 1.00 0.47 H new ATOM 0 HG12 VAL A 98 10.038 -5.491 5.373 1.00 0.47 H new ATOM 0 HG13 VAL A 98 11.395 -5.913 4.302 1.00 0.47 H new ATOM 0 HG21 VAL A 98 13.558 -4.687 6.072 1.00 0.71 H new ATOM 0 HG22 VAL A 98 13.454 -4.468 4.309 1.00 0.71 H new ATOM 0 HG23 VAL A 98 13.519 -3.048 5.380 1.00 0.71 H new ATOM 156 N GLY A 99 9.199 -4.078 2.961 1.00 0.21 N ATOM 157 CA GLY A 99 7.842 -4.524 2.764 1.00 0.20 C ATOM 158 C GLY A 99 6.896 -3.367 2.539 1.00 0.15 C ATOM 159 O GLY A 99 5.702 -3.462 2.815 1.00 0.18 O ATOM 0 H GLY A 99 9.818 -4.208 2.160 1.00 0.21 H new ATOM 0 HA2 GLY A 99 7.802 -5.198 1.908 1.00 0.20 H new ATOM 0 HA3 GLY A 99 7.517 -5.095 3.634 1.00 0.20 H new ATOM 163 N ASN A 100 7.444 -2.262 2.071 1.00 0.13 N ATOM 164 CA ASN A 100 6.669 -1.047 1.875 1.00 0.14 C ATOM 165 C ASN A 100 6.043 -1.078 0.489 1.00 0.14 C ATOM 166 O ASN A 100 6.739 -1.264 -0.510 1.00 0.19 O ATOM 167 CB ASN A 100 7.594 0.171 2.027 1.00 0.21 C ATOM 168 CG ASN A 100 8.535 0.059 3.206 1.00 0.28 C ATOM 169 OD1 ASN A 100 8.182 -0.758 4.194 1.00 0.63 O flip ATOM 170 ND2 ASN A 100 9.591 0.680 3.208 1.00 0.20 N flip ATOM 0 H ASN A 100 8.428 -2.179 1.818 1.00 0.13 H new ATOM 0 HA ASN A 100 5.875 -0.978 2.619 1.00 0.14 H new ATOM 0 HB2 ASN A 100 8.178 0.292 1.114 1.00 0.21 H new ATOM 0 HB3 ASN A 100 6.987 1.069 2.139 1.00 0.21 H new ATOM 0 HD21 ASN A 100 9.822 1.296 2.429 1.00 0.20 H new ATOM 0 HD22 ASN A 100 10.240 0.581 3.989 1.00 0.20 H new ATOM 177 N ILE A 101 4.732 -0.910 0.430 1.00 0.12 N ATOM 178 CA ILE A 101 4.007 -0.940 -0.834 1.00 0.13 C ATOM 179 C ILE A 101 3.012 0.207 -0.898 1.00 0.12 C ATOM 180 O ILE A 101 2.684 0.803 0.130 1.00 0.15 O ATOM 181 CB ILE A 101 3.250 -2.277 -1.033 1.00 0.13 C ATOM 182 CG1 ILE A 101 2.209 -2.476 0.073 1.00 0.11 C ATOM 183 CG2 ILE A 101 4.228 -3.444 -1.072 1.00 0.15 C ATOM 184 CD1 ILE A 101 1.453 -3.786 -0.019 1.00 0.13 C ATOM 0 H ILE A 101 4.143 -0.750 1.247 1.00 0.12 H new ATOM 0 HA ILE A 101 4.745 -0.840 -1.630 1.00 0.13 H new ATOM 0 HB ILE A 101 2.727 -2.239 -1.989 1.00 0.13 H new ATOM 0 HG12 ILE A 101 2.708 -2.424 1.041 1.00 0.11 H new ATOM 0 HG13 ILE A 101 1.495 -1.653 0.038 1.00 0.11 H new ATOM 0 HG21 ILE A 101 3.678 -4.375 -1.212 1.00 0.15 H new ATOM 0 HG22 ILE A 101 4.926 -3.306 -1.898 1.00 0.15 H new ATOM 0 HG23 ILE A 101 4.781 -3.487 -0.134 1.00 0.15 H new ATOM 0 HD11 ILE A 101 0.736 -3.850 0.799 1.00 0.13 H new ATOM 0 HD12 ILE A 101 0.924 -3.834 -0.971 1.00 0.13 H new ATOM 0 HD13 ILE A 101 2.155 -4.617 0.048 1.00 0.13 H new ATOM 196 N PHE A 102 2.528 0.512 -2.092 1.00 0.11 N ATOM 197 CA PHE A 102 1.503 1.530 -2.243 1.00 0.11 C ATOM 198 C PHE A 102 0.315 0.958 -3.006 1.00 0.09 C ATOM 199 O PHE A 102 0.472 0.084 -3.863 1.00 0.11 O ATOM 200 CB PHE A 102 2.063 2.791 -2.928 1.00 0.16 C ATOM 201 CG PHE A 102 1.711 2.946 -4.385 1.00 0.13 C ATOM 202 CD1 PHE A 102 2.494 2.369 -5.372 1.00 0.17 C ATOM 203 CD2 PHE A 102 0.599 3.683 -4.762 1.00 0.14 C ATOM 204 CE1 PHE A 102 2.173 2.524 -6.707 1.00 0.21 C ATOM 205 CE2 PHE A 102 0.273 3.840 -6.092 1.00 0.17 C ATOM 206 CZ PHE A 102 1.060 3.259 -7.068 1.00 0.20 C ATOM 0 H PHE A 102 2.826 0.073 -2.963 1.00 0.11 H new ATOM 0 HA PHE A 102 1.163 1.833 -1.253 1.00 0.11 H new ATOM 0 HB2 PHE A 102 1.702 3.667 -2.389 1.00 0.16 H new ATOM 0 HB3 PHE A 102 3.149 2.784 -2.833 1.00 0.16 H new ATOM 0 HD1 PHE A 102 3.364 1.792 -5.095 1.00 0.17 H new ATOM 0 HD2 PHE A 102 -0.020 4.140 -4.004 1.00 0.14 H new ATOM 0 HE1 PHE A 102 2.792 2.071 -7.468 1.00 0.21 H new ATOM 0 HE2 PHE A 102 -0.597 4.416 -6.371 1.00 0.17 H new ATOM 0 HZ PHE A 102 0.806 3.379 -8.111 1.00 0.20 H new ATOM 216 N ILE A 103 -0.869 1.439 -2.667 1.00 0.08 N ATOM 217 CA ILE A 103 -2.104 0.972 -3.275 1.00 0.08 C ATOM 218 C ILE A 103 -2.804 2.129 -3.976 1.00 0.08 C ATOM 219 O ILE A 103 -2.835 3.239 -3.453 1.00 0.15 O ATOM 220 CB ILE A 103 -3.051 0.388 -2.211 1.00 0.08 C ATOM 221 CG1 ILE A 103 -2.326 -0.653 -1.365 1.00 0.08 C ATOM 222 CG2 ILE A 103 -4.279 -0.228 -2.865 1.00 0.10 C ATOM 223 CD1 ILE A 103 -2.646 -0.540 0.103 1.00 0.09 C ATOM 0 H ILE A 103 -1.002 2.164 -1.962 1.00 0.08 H new ATOM 0 HA ILE A 103 -1.854 0.193 -3.996 1.00 0.08 H new ATOM 0 HB ILE A 103 -3.376 1.201 -1.561 1.00 0.08 H new ATOM 0 HG12 ILE A 103 -2.595 -1.650 -1.715 1.00 0.08 H new ATOM 0 HG13 ILE A 103 -1.251 -0.545 -1.507 1.00 0.08 H new ATOM 0 HG21 ILE A 103 -4.935 -0.635 -2.096 1.00 0.10 H new ATOM 0 HG22 ILE A 103 -4.812 0.536 -3.430 1.00 0.10 H new ATOM 0 HG23 ILE A 103 -3.970 -1.027 -3.539 1.00 0.10 H new ATOM 0 HD11 ILE A 103 -2.101 -1.306 0.654 1.00 0.09 H new ATOM 0 HD12 ILE A 103 -2.352 0.445 0.465 1.00 0.09 H new ATOM 0 HD13 ILE A 103 -3.717 -0.677 0.254 1.00 0.09 H new ATOM 235 N LYS A 104 -3.357 1.871 -5.148 1.00 0.13 N ATOM 236 CA LYS A 104 -4.032 2.905 -5.919 1.00 0.13 C ATOM 237 C LYS A 104 -5.509 2.569 -6.091 1.00 0.12 C ATOM 238 O LYS A 104 -5.884 1.398 -6.059 1.00 0.14 O ATOM 239 CB LYS A 104 -3.383 3.026 -7.298 1.00 0.19 C ATOM 240 CG LYS A 104 -3.535 4.400 -7.936 1.00 0.28 C ATOM 241 CD LYS A 104 -2.677 4.554 -9.190 1.00 0.39 C ATOM 242 CE LYS A 104 -3.170 3.699 -10.356 1.00 0.66 C ATOM 243 NZ LYS A 104 -4.557 4.047 -10.763 1.00 1.46 N ATOM 0 H LYS A 104 -3.353 0.952 -5.589 1.00 0.13 H new ATOM 0 HA LYS A 104 -3.943 3.849 -5.381 1.00 0.13 H new ATOM 0 HB2 LYS A 104 -2.322 2.793 -7.210 1.00 0.19 H new ATOM 0 HB3 LYS A 104 -3.820 2.279 -7.961 1.00 0.19 H new ATOM 0 HG2 LYS A 104 -4.582 4.566 -8.192 1.00 0.28 H new ATOM 0 HG3 LYS A 104 -3.258 5.167 -7.213 1.00 0.28 H new ATOM 0 HD2 LYS A 104 -2.669 5.601 -9.492 1.00 0.39 H new ATOM 0 HD3 LYS A 104 -1.648 4.282 -8.956 1.00 0.39 H new ATOM 0 HE2 LYS A 104 -2.501 3.828 -11.207 1.00 0.66 H new ATOM 0 HE3 LYS A 104 -3.129 2.647 -10.075 1.00 0.66 H new ATOM 0 HZ1 LYS A 104 -4.758 3.636 -11.697 1.00 1.46 H new ATOM 0 HZ2 LYS A 104 -5.229 3.668 -10.066 1.00 1.46 H new ATOM 0 HZ3 LYS A 104 -4.655 5.081 -10.812 1.00 1.46 H new ATOM 257 N ASN A 105 -6.329 3.608 -6.261 1.00 0.12 N ATOM 258 CA ASN A 105 -7.746 3.465 -6.619 1.00 0.13 C ATOM 259 C ASN A 105 -8.584 2.914 -5.457 1.00 0.15 C ATOM 260 O ASN A 105 -9.491 2.108 -5.653 1.00 0.25 O ATOM 261 CB ASN A 105 -7.899 2.569 -7.853 1.00 0.16 C ATOM 262 CG ASN A 105 -9.246 2.748 -8.538 1.00 0.23 C ATOM 263 OD1 ASN A 105 -9.827 3.837 -8.533 1.00 0.49 O ATOM 264 ND2 ASN A 105 -9.751 1.678 -9.125 1.00 0.34 N ATOM 0 H ASN A 105 -6.030 4.577 -6.154 1.00 0.12 H new ATOM 0 HA ASN A 105 -8.122 4.462 -6.849 1.00 0.13 H new ATOM 0 HB2 ASN A 105 -7.102 2.793 -8.562 1.00 0.16 H new ATOM 0 HB3 ASN A 105 -7.780 1.526 -7.558 1.00 0.16 H new ATOM 0 HD21 ASN A 105 -10.653 1.733 -9.597 1.00 0.34 H new ATOM 0 HD22 ASN A 105 -9.238 0.796 -9.106 1.00 0.34 H new ATOM 271 N LEU A 106 -8.291 3.371 -4.250 1.00 0.14 N ATOM 272 CA LEU A 106 -9.065 2.985 -3.074 1.00 0.17 C ATOM 273 C LEU A 106 -10.336 3.822 -2.955 1.00 0.22 C ATOM 274 O LEU A 106 -10.473 4.857 -3.608 1.00 0.26 O ATOM 275 CB LEU A 106 -8.212 3.124 -1.812 1.00 0.16 C ATOM 276 CG LEU A 106 -7.189 2.008 -1.609 1.00 0.14 C ATOM 277 CD1 LEU A 106 -6.127 2.426 -0.616 1.00 0.15 C ATOM 278 CD2 LEU A 106 -7.878 0.743 -1.123 1.00 0.16 C ATOM 0 H LEU A 106 -7.521 4.011 -4.056 1.00 0.14 H new ATOM 0 HA LEU A 106 -9.360 1.942 -3.187 1.00 0.17 H new ATOM 0 HB2 LEU A 106 -7.687 4.078 -1.848 1.00 0.16 H new ATOM 0 HB3 LEU A 106 -8.872 3.156 -0.945 1.00 0.16 H new ATOM 0 HG LEU A 106 -6.710 1.809 -2.568 1.00 0.14 H new ATOM 0 HD11 LEU A 106 -5.410 1.615 -0.488 1.00 0.15 H new ATOM 0 HD12 LEU A 106 -5.611 3.312 -0.986 1.00 0.15 H new ATOM 0 HD13 LEU A 106 -6.594 2.652 0.342 1.00 0.15 H new ATOM 0 HD21 LEU A 106 -7.137 -0.044 -0.983 1.00 0.16 H new ATOM 0 HD22 LEU A 106 -8.379 0.943 -0.176 1.00 0.16 H new ATOM 0 HD23 LEU A 106 -8.613 0.422 -1.862 1.00 0.16 H new ATOM 290 N ASP A 107 -11.265 3.362 -2.122 1.00 0.27 N ATOM 291 CA ASP A 107 -12.543 4.043 -1.931 1.00 0.32 C ATOM 292 C ASP A 107 -12.474 4.933 -0.699 1.00 0.30 C ATOM 293 O ASP A 107 -11.655 4.700 0.191 1.00 0.26 O ATOM 294 CB ASP A 107 -13.674 3.020 -1.743 1.00 0.37 C ATOM 295 CG ASP A 107 -15.061 3.595 -1.973 1.00 0.50 C ATOM 296 OD1 ASP A 107 -15.537 4.378 -1.128 1.00 0.71 O ATOM 297 OD2 ASP A 107 -15.692 3.254 -2.990 1.00 0.62 O ATOM 0 H ASP A 107 -11.156 2.515 -1.565 1.00 0.27 H new ATOM 0 HA ASP A 107 -12.746 4.647 -2.815 1.00 0.32 H new ATOM 0 HB2 ASP A 107 -13.517 2.188 -2.429 1.00 0.37 H new ATOM 0 HB3 ASP A 107 -13.621 2.615 -0.733 1.00 0.37 H new ATOM 302 N LYS A 108 -13.340 5.937 -0.643 1.00 0.38 N ATOM 303 CA LYS A 108 -13.480 6.769 0.550 1.00 0.43 C ATOM 304 C LYS A 108 -13.927 5.906 1.730 1.00 0.36 C ATOM 305 O LYS A 108 -13.679 6.228 2.893 1.00 0.46 O ATOM 306 CB LYS A 108 -14.494 7.892 0.302 1.00 0.55 C ATOM 307 CG LYS A 108 -15.938 7.425 0.161 1.00 0.57 C ATOM 308 CD LYS A 108 -16.838 8.575 -0.239 1.00 0.90 C ATOM 309 CE LYS A 108 -18.291 8.145 -0.403 1.00 1.21 C ATOM 310 NZ LYS A 108 -18.889 7.696 0.879 1.00 2.20 N ATOM 0 H LYS A 108 -13.959 6.197 -1.411 1.00 0.38 H new ATOM 0 HA LYS A 108 -12.515 7.220 0.782 1.00 0.43 H new ATOM 0 HB2 LYS A 108 -14.435 8.605 1.125 1.00 0.55 H new ATOM 0 HB3 LYS A 108 -14.209 8.427 -0.604 1.00 0.55 H new ATOM 0 HG2 LYS A 108 -15.998 6.634 -0.586 1.00 0.57 H new ATOM 0 HG3 LYS A 108 -16.281 7.000 1.104 1.00 0.57 H new ATOM 0 HD2 LYS A 108 -16.777 9.360 0.515 1.00 0.90 H new ATOM 0 HD3 LYS A 108 -16.481 9.004 -1.175 1.00 0.90 H new ATOM 0 HE2 LYS A 108 -18.872 8.977 -0.802 1.00 1.21 H new ATOM 0 HE3 LYS A 108 -18.349 7.337 -1.132 1.00 1.21 H new ATOM 0 HZ1 LYS A 108 -19.910 7.542 0.751 1.00 2.20 H new ATOM 0 HZ2 LYS A 108 -18.440 6.807 1.179 1.00 2.20 H new ATOM 0 HZ3 LYS A 108 -18.737 8.423 1.607 1.00 2.20 H new ATOM 324 N SER A 109 -14.604 4.817 1.393 1.00 0.31 N ATOM 325 CA SER A 109 -15.029 3.802 2.340 1.00 0.40 C ATOM 326 C SER A 109 -13.852 3.160 3.083 1.00 0.34 C ATOM 327 O SER A 109 -14.024 2.612 4.171 1.00 0.43 O ATOM 328 CB SER A 109 -15.785 2.729 1.566 1.00 0.56 C ATOM 329 OG SER A 109 -16.868 3.291 0.846 1.00 1.41 O ATOM 0 H SER A 109 -14.878 4.613 0.432 1.00 0.31 H new ATOM 0 HA SER A 109 -15.659 4.275 3.094 1.00 0.40 H new ATOM 0 HB2 SER A 109 -15.107 2.227 0.876 1.00 0.56 H new ATOM 0 HB3 SER A 109 -16.156 1.971 2.256 1.00 0.56 H new ATOM 0 HG SER A 109 -16.548 3.626 -0.018 1.00 1.41 H new ATOM 335 N ILE A 110 -12.664 3.217 2.497 1.00 0.23 N ATOM 336 CA ILE A 110 -11.516 2.534 3.071 1.00 0.20 C ATOM 337 C ILE A 110 -10.811 3.401 4.108 1.00 0.20 C ATOM 338 O ILE A 110 -10.538 4.581 3.880 1.00 0.26 O ATOM 339 CB ILE A 110 -10.517 2.084 1.978 1.00 0.20 C ATOM 340 CG1 ILE A 110 -11.176 1.052 1.059 1.00 0.21 C ATOM 341 CG2 ILE A 110 -9.246 1.510 2.591 1.00 0.22 C ATOM 342 CD1 ILE A 110 -11.698 -0.171 1.787 1.00 0.23 C ATOM 0 H ILE A 110 -12.472 3.724 1.633 1.00 0.23 H new ATOM 0 HA ILE A 110 -11.895 1.643 3.572 1.00 0.20 H new ATOM 0 HB ILE A 110 -10.239 2.960 1.392 1.00 0.20 H new ATOM 0 HG12 ILE A 110 -12.001 1.527 0.528 1.00 0.21 H new ATOM 0 HG13 ILE A 110 -10.453 0.735 0.307 1.00 0.21 H new ATOM 0 HG21 ILE A 110 -8.565 1.203 1.797 1.00 0.22 H new ATOM 0 HG22 ILE A 110 -8.765 2.269 3.208 1.00 0.22 H new ATOM 0 HG23 ILE A 110 -9.497 0.647 3.207 1.00 0.22 H new ATOM 0 HD11 ILE A 110 -12.151 -0.856 1.070 1.00 0.23 H new ATOM 0 HD12 ILE A 110 -10.874 -0.671 2.296 1.00 0.23 H new ATOM 0 HD13 ILE A 110 -12.446 0.133 2.520 1.00 0.23 H new ATOM 354 N ASP A 111 -10.551 2.799 5.258 1.00 0.17 N ATOM 355 CA ASP A 111 -9.825 3.447 6.338 1.00 0.18 C ATOM 356 C ASP A 111 -8.537 2.669 6.581 1.00 0.14 C ATOM 357 O ASP A 111 -8.262 1.697 5.872 1.00 0.13 O ATOM 358 CB ASP A 111 -10.691 3.471 7.607 1.00 0.23 C ATOM 359 CG ASP A 111 -10.126 4.326 8.726 1.00 1.01 C ATOM 360 OD1 ASP A 111 -10.447 5.530 8.784 1.00 1.23 O ATOM 361 OD2 ASP A 111 -9.376 3.790 9.567 1.00 1.59 O ATOM 0 H ASP A 111 -10.839 1.843 5.469 1.00 0.17 H new ATOM 0 HA ASP A 111 -9.586 4.477 6.073 1.00 0.18 H new ATOM 0 HB2 ASP A 111 -11.684 3.839 7.349 1.00 0.23 H new ATOM 0 HB3 ASP A 111 -10.813 2.451 7.970 1.00 0.23 H new ATOM 366 N ASN A 112 -7.779 3.050 7.594 1.00 0.15 N ATOM 367 CA ASN A 112 -6.505 2.406 7.876 1.00 0.13 C ATOM 368 C ASN A 112 -6.772 1.004 8.364 1.00 0.11 C ATOM 369 O ASN A 112 -5.987 0.084 8.143 1.00 0.12 O ATOM 370 CB ASN A 112 -5.727 3.176 8.941 1.00 0.16 C ATOM 371 CG ASN A 112 -5.307 4.559 8.475 1.00 0.19 C ATOM 372 OD1 ASN A 112 -5.076 4.787 7.291 1.00 0.60 O ATOM 373 ND2 ASN A 112 -5.195 5.492 9.405 1.00 0.55 N ATOM 0 H ASN A 112 -8.023 3.803 8.237 1.00 0.15 H new ATOM 0 HA ASN A 112 -5.907 2.387 6.965 1.00 0.13 H new ATOM 0 HB2 ASN A 112 -6.341 3.270 9.837 1.00 0.16 H new ATOM 0 HB3 ASN A 112 -4.841 2.606 9.220 1.00 0.16 H new ATOM 0 HD21 ASN A 112 -4.909 6.437 9.148 1.00 0.55 H new ATOM 0 HD22 ASN A 112 -5.395 5.267 10.380 1.00 0.55 H new ATOM 380 N LYS A 113 -7.920 0.856 9.002 1.00 0.12 N ATOM 381 CA LYS A 113 -8.366 -0.400 9.514 1.00 0.12 C ATOM 382 C LYS A 113 -8.659 -1.330 8.370 1.00 0.11 C ATOM 383 O LYS A 113 -8.228 -2.464 8.351 1.00 0.11 O ATOM 384 CB LYS A 113 -9.655 -0.155 10.241 1.00 0.15 C ATOM 385 CG LYS A 113 -9.901 -1.046 11.457 1.00 0.28 C ATOM 386 CD LYS A 113 -9.831 -2.556 11.165 1.00 0.54 C ATOM 387 CE LYS A 113 -11.128 -3.130 10.578 1.00 1.63 C ATOM 388 NZ LYS A 113 -12.349 -2.508 11.165 1.00 2.58 N ATOM 0 H LYS A 113 -8.568 1.625 9.174 1.00 0.12 H new ATOM 0 HA LYS A 113 -7.607 -0.834 10.164 1.00 0.12 H new ATOM 0 HB2 LYS A 113 -9.678 0.886 10.564 1.00 0.15 H new ATOM 0 HB3 LYS A 113 -10.479 -0.290 9.540 1.00 0.15 H new ATOM 0 HG2 LYS A 113 -9.167 -0.803 12.225 1.00 0.28 H new ATOM 0 HG3 LYS A 113 -10.883 -0.813 11.870 1.00 0.28 H new ATOM 0 HD2 LYS A 113 -9.013 -2.745 10.470 1.00 0.54 H new ATOM 0 HD3 LYS A 113 -9.595 -3.085 12.088 1.00 0.54 H new ATOM 0 HE2 LYS A 113 -11.131 -2.979 9.498 1.00 1.63 H new ATOM 0 HE3 LYS A 113 -11.155 -4.206 10.750 1.00 1.63 H new ATOM 0 HZ1 LYS A 113 -13.177 -3.099 10.949 1.00 2.58 H new ATOM 0 HZ2 LYS A 113 -12.238 -2.431 12.196 1.00 2.58 H new ATOM 0 HZ3 LYS A 113 -12.485 -1.560 10.760 1.00 2.58 H new ATOM 402 N ALA A 114 -9.423 -0.817 7.424 1.00 0.11 N ATOM 403 CA ALA A 114 -9.856 -1.595 6.271 1.00 0.12 C ATOM 404 C ALA A 114 -8.661 -2.054 5.454 1.00 0.11 C ATOM 405 O ALA A 114 -8.634 -3.173 4.934 1.00 0.13 O ATOM 406 CB ALA A 114 -10.794 -0.766 5.406 1.00 0.15 C ATOM 0 H ALA A 114 -9.761 0.145 7.430 1.00 0.11 H new ATOM 0 HA ALA A 114 -10.387 -2.477 6.629 1.00 0.12 H new ATOM 0 HB1 ALA A 114 -11.113 -1.356 4.546 1.00 0.15 H new ATOM 0 HB2 ALA A 114 -11.667 -0.476 5.991 1.00 0.15 H new ATOM 0 HB3 ALA A 114 -10.275 0.128 5.060 1.00 0.15 H new ATOM 412 N LEU A 115 -7.672 -1.184 5.356 1.00 0.09 N ATOM 413 CA LEU A 115 -6.456 -1.502 4.640 1.00 0.09 C ATOM 414 C LEU A 115 -5.657 -2.537 5.433 1.00 0.08 C ATOM 415 O LEU A 115 -5.238 -3.561 4.890 1.00 0.09 O ATOM 416 CB LEU A 115 -5.647 -0.213 4.440 1.00 0.10 C ATOM 417 CG LEU A 115 -4.623 -0.223 3.302 1.00 0.11 C ATOM 418 CD1 LEU A 115 -3.969 1.138 3.169 1.00 0.16 C ATOM 419 CD2 LEU A 115 -3.566 -1.280 3.526 1.00 0.11 C ATOM 0 H LEU A 115 -7.690 -0.250 5.765 1.00 0.09 H new ATOM 0 HA LEU A 115 -6.687 -1.926 3.663 1.00 0.09 H new ATOM 0 HB2 LEU A 115 -6.345 0.605 4.264 1.00 0.10 H new ATOM 0 HB3 LEU A 115 -5.123 0.009 5.370 1.00 0.10 H new ATOM 0 HG LEU A 115 -5.153 -0.458 2.379 1.00 0.11 H new ATOM 0 HD11 LEU A 115 -3.243 1.115 2.356 1.00 0.16 H new ATOM 0 HD12 LEU A 115 -4.730 1.888 2.955 1.00 0.16 H new ATOM 0 HD13 LEU A 115 -3.462 1.391 4.100 1.00 0.16 H new ATOM 0 HD21 LEU A 115 -2.853 -1.262 2.701 1.00 0.11 H new ATOM 0 HD22 LEU A 115 -3.044 -1.080 4.461 1.00 0.11 H new ATOM 0 HD23 LEU A 115 -4.038 -2.261 3.577 1.00 0.11 H new ATOM 431 N TYR A 116 -5.492 -2.286 6.726 1.00 0.08 N ATOM 432 CA TYR A 116 -4.807 -3.219 7.604 1.00 0.09 C ATOM 433 C TYR A 116 -5.532 -4.551 7.647 1.00 0.10 C ATOM 434 O TYR A 116 -4.910 -5.598 7.529 1.00 0.11 O ATOM 435 CB TYR A 116 -4.685 -2.649 9.020 1.00 0.10 C ATOM 436 CG TYR A 116 -4.124 -3.638 10.018 1.00 0.13 C ATOM 437 CD1 TYR A 116 -2.754 -3.838 10.136 1.00 0.19 C ATOM 438 CD2 TYR A 116 -4.966 -4.356 10.855 1.00 0.18 C ATOM 439 CE1 TYR A 116 -2.242 -4.729 11.058 1.00 0.24 C ATOM 440 CE2 TYR A 116 -4.461 -5.249 11.781 1.00 0.23 C ATOM 441 CZ TYR A 116 -3.090 -5.476 11.828 1.00 0.23 C ATOM 442 OH TYR A 116 -2.591 -6.323 12.794 1.00 0.30 O ATOM 0 H TYR A 116 -5.826 -1.440 7.189 1.00 0.08 H new ATOM 0 HA TYR A 116 -3.806 -3.376 7.203 1.00 0.09 H new ATOM 0 HB2 TYR A 116 -4.046 -1.767 8.995 1.00 0.10 H new ATOM 0 HB3 TYR A 116 -5.668 -2.321 9.358 1.00 0.10 H new ATOM 0 HD1 TYR A 116 -2.079 -3.288 9.497 1.00 0.19 H new ATOM 0 HD2 TYR A 116 -6.034 -4.215 10.782 1.00 0.18 H new ATOM 0 HE1 TYR A 116 -1.173 -4.836 11.171 1.00 0.24 H new ATOM 0 HE2 TYR A 116 -5.124 -5.765 12.460 1.00 0.23 H new ATOM 0 HH TYR A 116 -3.333 -6.775 13.247 1.00 0.30 H new ATOM 452 N ASP A 117 -6.850 -4.501 7.780 1.00 0.10 N ATOM 453 CA ASP A 117 -7.655 -5.707 7.905 1.00 0.12 C ATOM 454 C ASP A 117 -7.426 -6.635 6.726 1.00 0.12 C ATOM 455 O ASP A 117 -7.300 -7.847 6.889 1.00 0.15 O ATOM 456 CB ASP A 117 -9.139 -5.342 7.970 1.00 0.16 C ATOM 457 CG ASP A 117 -10.025 -6.561 8.089 1.00 0.27 C ATOM 458 OD1 ASP A 117 -10.076 -7.161 9.183 1.00 0.36 O ATOM 459 OD2 ASP A 117 -10.679 -6.924 7.089 1.00 0.40 O ATOM 0 H ASP A 117 -7.386 -3.634 7.804 1.00 0.10 H new ATOM 0 HA ASP A 117 -7.358 -6.216 8.822 1.00 0.12 H new ATOM 0 HB2 ASP A 117 -9.312 -4.685 8.822 1.00 0.16 H new ATOM 0 HB3 ASP A 117 -9.413 -4.783 7.076 1.00 0.16 H new ATOM 464 N THR A 118 -7.355 -6.054 5.546 1.00 0.11 N ATOM 465 CA THR A 118 -7.197 -6.831 4.338 1.00 0.11 C ATOM 466 C THR A 118 -5.754 -7.310 4.146 1.00 0.10 C ATOM 467 O THR A 118 -5.503 -8.505 3.988 1.00 0.12 O ATOM 468 CB THR A 118 -7.637 -5.998 3.123 1.00 0.13 C ATOM 469 OG1 THR A 118 -8.940 -5.446 3.369 1.00 0.22 O ATOM 470 CG2 THR A 118 -7.671 -6.851 1.868 1.00 0.17 C ATOM 0 H THR A 118 -7.404 -5.046 5.400 1.00 0.11 H new ATOM 0 HA THR A 118 -7.827 -7.716 4.430 1.00 0.11 H new ATOM 0 HB THR A 118 -6.917 -5.193 2.972 1.00 0.13 H new ATOM 0 HG1 THR A 118 -8.855 -4.642 3.923 1.00 0.22 H new ATOM 0 HG21 THR A 118 -7.985 -6.240 1.021 1.00 0.17 H new ATOM 0 HG22 THR A 118 -6.677 -7.255 1.675 1.00 0.17 H new ATOM 0 HG23 THR A 118 -8.375 -7.671 2.005 1.00 0.17 H new ATOM 478 N PHE A 119 -4.806 -6.378 4.183 1.00 0.08 N ATOM 479 CA PHE A 119 -3.410 -6.691 3.882 1.00 0.08 C ATOM 480 C PHE A 119 -2.739 -7.506 4.995 1.00 0.08 C ATOM 481 O PHE A 119 -1.832 -8.289 4.726 1.00 0.09 O ATOM 482 CB PHE A 119 -2.619 -5.421 3.555 1.00 0.08 C ATOM 483 CG PHE A 119 -3.025 -4.787 2.244 1.00 0.08 C ATOM 484 CD1 PHE A 119 -4.276 -4.213 2.100 1.00 0.10 C ATOM 485 CD2 PHE A 119 -2.158 -4.758 1.154 1.00 0.08 C ATOM 486 CE1 PHE A 119 -4.658 -3.627 0.912 1.00 0.11 C ATOM 487 CE2 PHE A 119 -2.538 -4.172 -0.034 1.00 0.10 C ATOM 488 CZ PHE A 119 -3.789 -3.607 -0.156 1.00 0.09 C ATOM 0 H PHE A 119 -4.977 -5.400 4.418 1.00 0.08 H new ATOM 0 HA PHE A 119 -3.409 -7.324 2.995 1.00 0.08 H new ATOM 0 HB2 PHE A 119 -2.757 -4.698 4.359 1.00 0.08 H new ATOM 0 HB3 PHE A 119 -1.556 -5.661 3.521 1.00 0.08 H new ATOM 0 HD1 PHE A 119 -4.964 -4.224 2.932 1.00 0.10 H new ATOM 0 HD2 PHE A 119 -1.176 -5.200 1.241 1.00 0.08 H new ATOM 0 HE1 PHE A 119 -5.638 -3.184 0.819 1.00 0.11 H new ATOM 0 HE2 PHE A 119 -1.855 -4.156 -0.870 1.00 0.10 H new ATOM 0 HZ PHE A 119 -4.087 -3.149 -1.088 1.00 0.09 H new ATOM 498 N SER A 120 -3.185 -7.324 6.240 1.00 0.09 N ATOM 499 CA SER A 120 -2.591 -8.028 7.382 1.00 0.09 C ATOM 500 C SER A 120 -2.683 -9.542 7.206 1.00 0.08 C ATOM 501 O SER A 120 -1.857 -10.285 7.734 1.00 0.09 O ATOM 502 CB SER A 120 -3.237 -7.604 8.708 1.00 0.13 C ATOM 503 OG SER A 120 -2.612 -8.247 9.807 1.00 0.19 O ATOM 0 H SER A 120 -3.952 -6.698 6.484 1.00 0.09 H new ATOM 0 HA SER A 120 -1.538 -7.748 7.417 1.00 0.09 H new ATOM 0 HB2 SER A 120 -3.162 -6.523 8.824 1.00 0.13 H new ATOM 0 HB3 SER A 120 -4.299 -7.850 8.694 1.00 0.13 H new ATOM 0 HG SER A 120 -2.620 -7.649 10.583 1.00 0.19 H new ATOM 509 N ALA A 121 -3.705 -9.995 6.488 1.00 0.09 N ATOM 510 CA ALA A 121 -3.870 -11.415 6.197 1.00 0.11 C ATOM 511 C ALA A 121 -2.645 -11.988 5.475 1.00 0.11 C ATOM 512 O ALA A 121 -2.397 -13.193 5.514 1.00 0.13 O ATOM 513 CB ALA A 121 -5.120 -11.632 5.359 1.00 0.14 C ATOM 0 H ALA A 121 -4.433 -9.398 6.096 1.00 0.09 H new ATOM 0 HA ALA A 121 -3.974 -11.942 7.146 1.00 0.11 H new ATOM 0 HB1 ALA A 121 -5.236 -12.695 5.146 1.00 0.14 H new ATOM 0 HB2 ALA A 121 -5.992 -11.275 5.907 1.00 0.14 H new ATOM 0 HB3 ALA A 121 -5.030 -11.082 4.422 1.00 0.14 H new ATOM 519 N PHE A 122 -1.879 -11.118 4.823 1.00 0.08 N ATOM 520 CA PHE A 122 -0.695 -11.540 4.079 1.00 0.09 C ATOM 521 C PHE A 122 0.555 -11.437 4.944 1.00 0.10 C ATOM 522 O PHE A 122 1.614 -11.955 4.587 1.00 0.18 O ATOM 523 CB PHE A 122 -0.528 -10.681 2.825 1.00 0.09 C ATOM 524 CG PHE A 122 -1.788 -10.564 2.026 1.00 0.09 C ATOM 525 CD1 PHE A 122 -2.379 -11.688 1.482 1.00 0.13 C ATOM 526 CD2 PHE A 122 -2.365 -9.328 1.800 1.00 0.10 C ATOM 527 CE1 PHE A 122 -3.528 -11.585 0.725 1.00 0.16 C ATOM 528 CE2 PHE A 122 -3.515 -9.216 1.045 1.00 0.12 C ATOM 529 CZ PHE A 122 -4.146 -10.349 0.583 1.00 0.13 C ATOM 0 H PHE A 122 -2.057 -10.114 4.795 1.00 0.08 H new ATOM 0 HA PHE A 122 -0.830 -12.582 3.787 1.00 0.09 H new ATOM 0 HB2 PHE A 122 -0.194 -9.685 3.115 1.00 0.09 H new ATOM 0 HB3 PHE A 122 0.255 -11.110 2.199 1.00 0.09 H new ATOM 0 HD1 PHE A 122 -1.937 -12.659 1.651 1.00 0.13 H new ATOM 0 HD2 PHE A 122 -1.911 -8.442 2.218 1.00 0.10 H new ATOM 0 HE1 PHE A 122 -3.944 -12.459 0.246 1.00 0.16 H new ATOM 0 HE2 PHE A 122 -3.919 -8.241 0.817 1.00 0.12 H new ATOM 0 HZ PHE A 122 -5.116 -10.277 0.113 1.00 0.13 H new ATOM 539 N GLY A 123 0.421 -10.777 6.083 1.00 0.09 N ATOM 540 CA GLY A 123 1.544 -10.598 6.974 1.00 0.10 C ATOM 541 C GLY A 123 1.314 -9.464 7.949 1.00 0.09 C ATOM 542 O GLY A 123 0.420 -8.640 7.753 1.00 0.11 O ATOM 0 H GLY A 123 -0.452 -10.360 6.407 1.00 0.09 H new ATOM 0 HA2 GLY A 123 1.721 -11.521 7.526 1.00 0.10 H new ATOM 0 HA3 GLY A 123 2.443 -10.399 6.390 1.00 0.10 H new ATOM 546 N ASN A 124 2.113 -9.423 8.999 1.00 0.13 N ATOM 547 CA ASN A 124 1.995 -8.383 10.011 1.00 0.14 C ATOM 548 C ASN A 124 2.374 -7.030 9.421 1.00 0.11 C ATOM 549 O ASN A 124 3.339 -6.917 8.668 1.00 0.14 O ATOM 550 CB ASN A 124 2.894 -8.714 11.205 1.00 0.18 C ATOM 551 CG ASN A 124 2.806 -7.683 12.313 1.00 0.21 C ATOM 552 OD1 ASN A 124 1.768 -7.056 12.513 1.00 0.24 O ATOM 553 ND2 ASN A 124 3.895 -7.507 13.041 1.00 0.25 N ATOM 0 H ASN A 124 2.855 -10.100 9.176 1.00 0.13 H new ATOM 0 HA ASN A 124 0.961 -8.335 10.352 1.00 0.14 H new ATOM 0 HB2 ASN A 124 2.618 -9.691 11.602 1.00 0.18 H new ATOM 0 HB3 ASN A 124 3.927 -8.788 10.866 1.00 0.18 H new ATOM 0 HD21 ASN A 124 3.895 -6.829 13.803 1.00 0.25 H new ATOM 0 HD22 ASN A 124 4.736 -8.049 12.841 1.00 0.25 H new ATOM 560 N ILE A 125 1.602 -6.015 9.754 1.00 0.11 N ATOM 561 CA ILE A 125 1.836 -4.673 9.250 1.00 0.10 C ATOM 562 C ILE A 125 2.321 -3.773 10.377 1.00 0.11 C ATOM 563 O ILE A 125 1.708 -3.726 11.442 1.00 0.14 O ATOM 564 CB ILE A 125 0.550 -4.084 8.639 1.00 0.11 C ATOM 565 CG1 ILE A 125 0.047 -4.971 7.497 1.00 0.10 C ATOM 566 CG2 ILE A 125 0.787 -2.665 8.146 1.00 0.14 C ATOM 567 CD1 ILE A 125 -1.263 -4.505 6.897 1.00 0.11 C ATOM 0 H ILE A 125 0.799 -6.094 10.378 1.00 0.11 H new ATOM 0 HA ILE A 125 2.598 -4.729 8.472 1.00 0.10 H new ATOM 0 HB ILE A 125 -0.214 -4.051 9.416 1.00 0.11 H new ATOM 0 HG12 ILE A 125 0.804 -5.004 6.714 1.00 0.10 H new ATOM 0 HG13 ILE A 125 -0.074 -5.989 7.866 1.00 0.10 H new ATOM 0 HG21 ILE A 125 -0.135 -2.270 7.719 1.00 0.14 H new ATOM 0 HG22 ILE A 125 1.099 -2.037 8.981 1.00 0.14 H new ATOM 0 HG23 ILE A 125 1.567 -2.670 7.385 1.00 0.14 H new ATOM 0 HD11 ILE A 125 -1.557 -5.182 6.094 1.00 0.11 H new ATOM 0 HD12 ILE A 125 -2.034 -4.499 7.667 1.00 0.11 H new ATOM 0 HD13 ILE A 125 -1.142 -3.498 6.497 1.00 0.11 H new ATOM 579 N LEU A 126 3.417 -3.061 10.150 1.00 0.13 N ATOM 580 CA LEU A 126 3.981 -2.206 11.189 1.00 0.15 C ATOM 581 C LEU A 126 3.297 -0.850 11.141 1.00 0.16 C ATOM 582 O LEU A 126 3.071 -0.208 12.167 1.00 0.24 O ATOM 583 CB LEU A 126 5.501 -2.004 11.026 1.00 0.19 C ATOM 584 CG LEU A 126 6.378 -3.250 10.794 1.00 0.21 C ATOM 585 CD1 LEU A 126 5.730 -4.524 11.312 1.00 0.53 C ATOM 586 CD2 LEU A 126 6.741 -3.368 9.325 1.00 0.54 C ATOM 0 H LEU A 126 3.929 -3.057 9.268 1.00 0.13 H new ATOM 0 HA LEU A 126 3.813 -2.699 12.147 1.00 0.15 H new ATOM 0 HB2 LEU A 126 5.659 -1.324 10.189 1.00 0.19 H new ATOM 0 HB3 LEU A 126 5.868 -1.500 11.920 1.00 0.19 H new ATOM 0 HG LEU A 126 7.294 -3.120 11.371 1.00 0.21 H new ATOM 0 HD11 LEU A 126 6.390 -5.371 11.123 1.00 0.53 H new ATOM 0 HD12 LEU A 126 5.554 -4.433 12.384 1.00 0.53 H new ATOM 0 HD13 LEU A 126 4.780 -4.683 10.801 1.00 0.53 H new ATOM 0 HD21 LEU A 126 7.361 -4.252 9.173 1.00 0.54 H new ATOM 0 HD22 LEU A 126 5.831 -3.456 8.731 1.00 0.54 H new ATOM 0 HD23 LEU A 126 7.292 -2.481 9.014 1.00 0.54 H new ATOM 598 N SER A 127 2.972 -0.426 9.930 1.00 0.14 N ATOM 599 CA SER A 127 2.356 0.868 9.696 1.00 0.17 C ATOM 600 C SER A 127 1.546 0.830 8.404 1.00 0.19 C ATOM 601 O SER A 127 2.045 0.398 7.369 1.00 0.37 O ATOM 602 CB SER A 127 3.439 1.949 9.608 1.00 0.19 C ATOM 603 OG SER A 127 4.171 2.046 10.819 1.00 0.76 O ATOM 0 H SER A 127 3.128 -0.971 9.082 1.00 0.14 H new ATOM 0 HA SER A 127 1.688 1.103 10.524 1.00 0.17 H new ATOM 0 HB2 SER A 127 4.119 1.720 8.787 1.00 0.19 H new ATOM 0 HB3 SER A 127 2.978 2.910 9.381 1.00 0.19 H new ATOM 0 HG SER A 127 4.855 2.742 10.733 1.00 0.76 H new ATOM 609 N CYS A 128 0.296 1.251 8.464 1.00 0.18 N ATOM 610 CA CYS A 128 -0.540 1.308 7.274 1.00 0.17 C ATOM 611 C CYS A 128 -1.281 2.633 7.215 1.00 0.16 C ATOM 612 O CYS A 128 -1.672 3.184 8.246 1.00 0.28 O ATOM 613 CB CYS A 128 -1.523 0.137 7.245 1.00 0.21 C ATOM 614 SG CYS A 128 -2.313 -0.203 8.834 1.00 0.72 S ATOM 0 H CYS A 128 -0.164 1.558 9.321 1.00 0.18 H new ATOM 0 HA CYS A 128 0.102 1.230 6.397 1.00 0.17 H new ATOM 0 HB2 CYS A 128 -2.295 0.343 6.504 1.00 0.21 H new ATOM 0 HB3 CYS A 128 -0.996 -0.758 6.915 1.00 0.21 H new ATOM 0 HG CYS A 128 -2.496 0.913 9.475 1.00 0.72 H new ATOM 620 N LYS A 129 -1.468 3.146 6.012 1.00 0.13 N ATOM 621 CA LYS A 129 -2.065 4.457 5.844 1.00 0.14 C ATOM 622 C LYS A 129 -2.960 4.511 4.616 1.00 0.12 C ATOM 623 O LYS A 129 -2.581 4.063 3.539 1.00 0.12 O ATOM 624 CB LYS A 129 -0.969 5.517 5.716 1.00 0.18 C ATOM 625 CG LYS A 129 -1.500 6.931 5.536 1.00 0.23 C ATOM 626 CD LYS A 129 -1.914 7.558 6.856 1.00 0.36 C ATOM 627 CE LYS A 129 -2.422 8.982 6.649 1.00 0.47 C ATOM 628 NZ LYS A 129 -3.864 9.017 6.280 1.00 1.00 N ATOM 0 H LYS A 129 -1.216 2.677 5.142 1.00 0.13 H new ATOM 0 HA LYS A 129 -2.677 4.656 6.724 1.00 0.14 H new ATOM 0 HB2 LYS A 129 -0.341 5.486 6.606 1.00 0.18 H new ATOM 0 HB3 LYS A 129 -0.332 5.267 4.867 1.00 0.18 H new ATOM 0 HG2 LYS A 129 -0.734 7.548 5.066 1.00 0.23 H new ATOM 0 HG3 LYS A 129 -2.355 6.914 4.860 1.00 0.23 H new ATOM 0 HD2 LYS A 129 -2.693 6.954 7.321 1.00 0.36 H new ATOM 0 HD3 LYS A 129 -1.066 7.566 7.541 1.00 0.36 H new ATOM 0 HE2 LYS A 129 -2.268 9.557 7.562 1.00 0.47 H new ATOM 0 HE3 LYS A 129 -1.837 9.465 5.866 1.00 0.47 H new ATOM 0 HZ1 LYS A 129 -4.073 9.906 5.782 1.00 1.00 H new ATOM 0 HZ2 LYS A 129 -4.083 8.212 5.659 1.00 1.00 H new ATOM 0 HZ3 LYS A 129 -4.444 8.957 7.141 1.00 1.00 H new ATOM 642 N VAL A 130 -4.142 5.064 4.800 1.00 0.15 N ATOM 643 CA VAL A 130 -5.017 5.428 3.709 1.00 0.17 C ATOM 644 C VAL A 130 -5.103 6.930 3.717 1.00 0.20 C ATOM 645 O VAL A 130 -5.623 7.525 4.660 1.00 0.24 O ATOM 646 CB VAL A 130 -6.445 4.849 3.833 1.00 0.21 C ATOM 647 CG1 VAL A 130 -7.283 5.248 2.622 1.00 0.28 C ATOM 648 CG2 VAL A 130 -6.415 3.341 3.978 1.00 0.21 C ATOM 0 H VAL A 130 -4.524 5.275 5.722 1.00 0.15 H new ATOM 0 HA VAL A 130 -4.605 5.020 2.786 1.00 0.17 H new ATOM 0 HB VAL A 130 -6.901 5.264 4.732 1.00 0.21 H new ATOM 0 HG11 VAL A 130 -8.286 4.834 2.722 1.00 0.28 H new ATOM 0 HG12 VAL A 130 -7.343 6.335 2.563 1.00 0.28 H new ATOM 0 HG13 VAL A 130 -6.819 4.861 1.715 1.00 0.28 H new ATOM 0 HG21 VAL A 130 -7.434 2.963 4.063 1.00 0.21 H new ATOM 0 HG22 VAL A 130 -5.937 2.901 3.103 1.00 0.21 H new ATOM 0 HG23 VAL A 130 -5.853 3.073 4.872 1.00 0.21 H new ATOM 658 N VAL A 131 -4.538 7.546 2.720 1.00 0.21 N ATOM 659 CA VAL A 131 -4.461 8.983 2.690 1.00 0.27 C ATOM 660 C VAL A 131 -5.797 9.535 2.227 1.00 0.33 C ATOM 661 O VAL A 131 -6.234 9.274 1.109 1.00 0.33 O ATOM 662 CB VAL A 131 -3.303 9.416 1.786 1.00 0.28 C ATOM 663 CG1 VAL A 131 -2.946 10.874 2.013 1.00 0.34 C ATOM 664 CG2 VAL A 131 -2.107 8.517 2.064 1.00 0.25 C ATOM 0 H VAL A 131 -4.122 7.078 1.915 1.00 0.21 H new ATOM 0 HA VAL A 131 -4.259 9.383 3.684 1.00 0.27 H new ATOM 0 HB VAL A 131 -3.603 9.318 0.743 1.00 0.28 H new ATOM 0 HG11 VAL A 131 -2.121 11.153 1.358 1.00 0.34 H new ATOM 0 HG12 VAL A 131 -3.811 11.499 1.793 1.00 0.34 H new ATOM 0 HG13 VAL A 131 -2.649 11.018 3.052 1.00 0.34 H new ATOM 0 HG21 VAL A 131 -1.273 8.813 1.427 1.00 0.25 H new ATOM 0 HG22 VAL A 131 -1.816 8.612 3.110 1.00 0.25 H new ATOM 0 HG23 VAL A 131 -2.374 7.481 1.854 1.00 0.25 H new ATOM 766 N GLY A 139 -7.401 8.158 -2.684 1.00 0.27 N ATOM 767 CA GLY A 139 -7.352 7.074 -3.636 1.00 0.26 C ATOM 768 C GLY A 139 -6.191 6.136 -3.407 1.00 0.21 C ATOM 769 O GLY A 139 -6.212 5.002 -3.869 1.00 0.31 O ATOM 0 HA2 GLY A 139 -8.283 6.510 -3.583 1.00 0.26 H new ATOM 0 HA3 GLY A 139 -7.286 7.486 -4.643 1.00 0.26 H new ATOM 773 N TYR A 140 -5.176 6.587 -2.696 1.00 0.19 N ATOM 774 CA TYR A 140 -3.980 5.781 -2.533 1.00 0.15 C ATOM 775 C TYR A 140 -3.619 5.587 -1.067 1.00 0.13 C ATOM 776 O TYR A 140 -3.889 6.444 -0.220 1.00 0.16 O ATOM 777 CB TYR A 140 -2.803 6.381 -3.315 1.00 0.19 C ATOM 778 CG TYR A 140 -2.527 7.843 -3.039 1.00 0.23 C ATOM 779 CD1 TYR A 140 -3.275 8.838 -3.653 1.00 0.26 C ATOM 780 CD2 TYR A 140 -1.536 8.226 -2.142 1.00 0.31 C ATOM 781 CE1 TYR A 140 -3.041 10.174 -3.389 1.00 0.34 C ATOM 782 CE2 TYR A 140 -1.299 9.559 -1.869 1.00 0.39 C ATOM 783 CZ TYR A 140 -1.988 10.530 -2.568 1.00 0.41 C ATOM 784 OH TYR A 140 -1.822 11.858 -2.222 1.00 0.49 O ATOM 0 H TYR A 140 -5.153 7.493 -2.228 1.00 0.19 H new ATOM 0 HA TYR A 140 -4.197 4.795 -2.944 1.00 0.15 H new ATOM 0 HB2 TYR A 140 -1.905 5.808 -3.085 1.00 0.19 H new ATOM 0 HB3 TYR A 140 -2.995 6.259 -4.381 1.00 0.19 H new ATOM 0 HD1 TYR A 140 -4.054 8.563 -4.349 1.00 0.26 H new ATOM 0 HD2 TYR A 140 -0.942 7.469 -1.651 1.00 0.31 H new ATOM 0 HE1 TYR A 140 -3.676 10.934 -3.821 1.00 0.34 H new ATOM 0 HE2 TYR A 140 -0.580 9.840 -1.114 1.00 0.39 H new ATOM 0 HH TYR A 140 -1.039 11.949 -1.640 1.00 0.49 H new ATOM 794 N GLY A 141 -3.022 4.440 -0.785 1.00 0.11 N ATOM 795 CA GLY A 141 -2.614 4.105 0.560 1.00 0.11 C ATOM 796 C GLY A 141 -1.284 3.386 0.569 1.00 0.10 C ATOM 797 O GLY A 141 -0.755 3.056 -0.491 1.00 0.12 O ATOM 0 H GLY A 141 -2.810 3.724 -1.479 1.00 0.11 H new ATOM 0 HA2 GLY A 141 -2.542 5.014 1.157 1.00 0.11 H new ATOM 0 HA3 GLY A 141 -3.373 3.476 1.026 1.00 0.11 H new ATOM 801 N PHE A 142 -0.741 3.137 1.754 1.00 0.10 N ATOM 802 CA PHE A 142 0.575 2.518 1.876 1.00 0.10 C ATOM 803 C PHE A 142 0.568 1.433 2.952 1.00 0.10 C ATOM 804 O PHE A 142 -0.086 1.583 3.987 1.00 0.14 O ATOM 805 CB PHE A 142 1.631 3.569 2.237 1.00 0.12 C ATOM 806 CG PHE A 142 1.621 4.793 1.360 1.00 0.14 C ATOM 807 CD1 PHE A 142 2.052 4.730 0.038 1.00 0.16 C ATOM 808 CD2 PHE A 142 1.173 6.006 1.854 1.00 0.21 C ATOM 809 CE1 PHE A 142 2.030 5.855 -0.763 1.00 0.19 C ATOM 810 CE2 PHE A 142 1.150 7.133 1.055 1.00 0.25 C ATOM 811 CZ PHE A 142 1.623 7.049 -0.267 1.00 0.22 C ATOM 0 H PHE A 142 -1.190 3.353 2.644 1.00 0.10 H new ATOM 0 HA PHE A 142 0.819 2.069 0.914 1.00 0.10 H new ATOM 0 HB2 PHE A 142 1.479 3.878 3.271 1.00 0.12 H new ATOM 0 HB3 PHE A 142 2.617 3.108 2.184 1.00 0.12 H new ATOM 0 HD1 PHE A 142 2.407 3.793 -0.365 1.00 0.16 H new ATOM 0 HD2 PHE A 142 0.837 6.072 2.878 1.00 0.21 H new ATOM 0 HE1 PHE A 142 2.340 5.783 -1.795 1.00 0.19 H new ATOM 0 HE2 PHE A 142 0.773 8.068 1.441 1.00 0.25 H new ATOM 0 HZ PHE A 142 1.662 7.934 -0.885 1.00 0.22 H new ATOM 821 N VAL A 143 1.283 0.336 2.699 1.00 0.08 N ATOM 822 CA VAL A 143 1.475 -0.701 3.713 1.00 0.08 C ATOM 823 C VAL A 143 2.944 -0.842 4.070 1.00 0.08 C ATOM 824 O VAL A 143 3.815 -0.832 3.198 1.00 0.09 O ATOM 825 CB VAL A 143 0.971 -2.086 3.250 1.00 0.08 C ATOM 826 CG1 VAL A 143 1.043 -3.107 4.386 1.00 0.07 C ATOM 827 CG2 VAL A 143 -0.439 -1.986 2.719 1.00 0.10 C ATOM 0 H VAL A 143 1.736 0.143 1.806 1.00 0.08 H new ATOM 0 HA VAL A 143 0.893 -0.381 4.577 1.00 0.08 H new ATOM 0 HB VAL A 143 1.623 -2.429 2.446 1.00 0.08 H new ATOM 0 HG11 VAL A 143 0.682 -4.072 4.031 1.00 0.07 H new ATOM 0 HG12 VAL A 143 2.075 -3.206 4.721 1.00 0.07 H new ATOM 0 HG13 VAL A 143 0.423 -2.771 5.217 1.00 0.07 H new ATOM 0 HG21 VAL A 143 -0.777 -2.971 2.398 1.00 0.10 H new ATOM 0 HG22 VAL A 143 -1.098 -1.614 3.504 1.00 0.10 H new ATOM 0 HG23 VAL A 143 -0.461 -1.300 1.872 1.00 0.10 H new ATOM 837 N HIS A 144 3.211 -0.947 5.356 1.00 0.09 N ATOM 838 CA HIS A 144 4.521 -1.331 5.839 1.00 0.10 C ATOM 839 C HIS A 144 4.455 -2.746 6.373 1.00 0.10 C ATOM 840 O HIS A 144 3.901 -2.980 7.446 1.00 0.11 O ATOM 841 CB HIS A 144 4.965 -0.390 6.950 1.00 0.12 C ATOM 842 CG HIS A 144 5.992 0.595 6.518 1.00 0.14 C ATOM 843 ND1 HIS A 144 6.254 1.109 5.300 1.00 0.18 N flip ATOM 844 CD2 HIS A 144 6.926 1.135 7.374 1.00 0.17 C flip ATOM 845 CE1 HIS A 144 7.331 1.949 5.444 1.00 0.21 C flip ATOM 846 NE2 HIS A 144 7.718 1.940 6.701 1.00 0.21 N flip ATOM 0 H HIS A 144 2.529 -0.769 6.093 1.00 0.09 H new ATOM 0 HA HIS A 144 5.239 -1.275 5.020 1.00 0.10 H new ATOM 0 HB2 HIS A 144 4.096 0.147 7.330 1.00 0.12 H new ATOM 0 HB3 HIS A 144 5.363 -0.979 7.777 1.00 0.12 H new ATOM 0 HD2 HIS A 144 6.997 0.929 8.432 1.00 0.17 H new ATOM 0 HE1 HIS A 144 7.787 2.525 4.652 1.00 0.21 H new ATOM 0 HE2 HIS A 144 8.500 2.468 7.088 1.00 0.21 H new ATOM 855 N PHE A 145 5.007 -3.689 5.637 1.00 0.10 N ATOM 856 CA PHE A 145 4.942 -5.075 6.046 1.00 0.10 C ATOM 857 C PHE A 145 6.124 -5.467 6.902 1.00 0.13 C ATOM 858 O PHE A 145 7.261 -5.063 6.656 1.00 0.17 O ATOM 859 CB PHE A 145 4.829 -6.007 4.845 1.00 0.10 C ATOM 860 CG PHE A 145 3.415 -6.245 4.414 1.00 0.09 C ATOM 861 CD1 PHE A 145 2.545 -6.970 5.206 1.00 0.10 C ATOM 862 CD2 PHE A 145 2.953 -5.731 3.213 1.00 0.09 C ATOM 863 CE1 PHE A 145 1.241 -7.180 4.809 1.00 0.11 C ATOM 864 CE2 PHE A 145 1.650 -5.936 2.813 1.00 0.10 C ATOM 865 CZ PHE A 145 0.797 -6.707 3.621 1.00 0.10 C ATOM 0 H PHE A 145 5.501 -3.522 4.760 1.00 0.10 H new ATOM 0 HA PHE A 145 4.040 -5.180 6.650 1.00 0.10 H new ATOM 0 HB2 PHE A 145 5.390 -5.584 4.011 1.00 0.10 H new ATOM 0 HB3 PHE A 145 5.293 -6.962 5.090 1.00 0.10 H new ATOM 0 HD1 PHE A 145 2.890 -7.376 6.145 1.00 0.10 H new ATOM 0 HD2 PHE A 145 3.622 -5.163 2.583 1.00 0.09 H new ATOM 0 HE1 PHE A 145 0.568 -7.727 5.452 1.00 0.11 H new ATOM 0 HE2 PHE A 145 1.289 -5.509 1.889 1.00 0.10 H new ATOM 0 HZ PHE A 145 -0.210 -6.922 3.295 1.00 0.10 H new ATOM 875 N GLU A 146 5.811 -6.242 7.924 1.00 0.13 N ATOM 876 CA GLU A 146 6.797 -6.778 8.864 1.00 0.17 C ATOM 877 C GLU A 146 7.963 -7.414 8.122 1.00 0.19 C ATOM 878 O GLU A 146 9.130 -7.260 8.500 1.00 0.22 O ATOM 879 CB GLU A 146 6.121 -7.823 9.754 1.00 0.22 C ATOM 880 CG GLU A 146 7.030 -8.471 10.782 1.00 0.30 C ATOM 881 CD GLU A 146 6.290 -9.490 11.619 1.00 0.37 C ATOM 882 OE1 GLU A 146 5.996 -10.589 11.103 1.00 0.57 O ATOM 883 OE2 GLU A 146 5.982 -9.193 12.791 1.00 0.38 O ATOM 0 H GLU A 146 4.854 -6.525 8.133 1.00 0.13 H new ATOM 0 HA GLU A 146 7.185 -5.961 9.473 1.00 0.17 H new ATOM 0 HB2 GLU A 146 5.287 -7.352 10.274 1.00 0.22 H new ATOM 0 HB3 GLU A 146 5.701 -8.603 9.119 1.00 0.22 H new ATOM 0 HG2 GLU A 146 7.866 -8.954 10.276 1.00 0.30 H new ATOM 0 HG3 GLU A 146 7.451 -7.703 11.431 1.00 0.30 H new ATOM 890 N THR A 147 7.627 -8.120 7.064 1.00 0.22 N ATOM 891 CA THR A 147 8.613 -8.810 6.258 1.00 0.26 C ATOM 892 C THR A 147 8.516 -8.368 4.799 1.00 0.23 C ATOM 893 O THR A 147 7.461 -7.923 4.343 1.00 0.21 O ATOM 894 CB THR A 147 8.430 -10.337 6.345 1.00 0.33 C ATOM 895 OG1 THR A 147 7.133 -10.704 5.858 1.00 0.40 O ATOM 896 CG2 THR A 147 8.587 -10.824 7.778 1.00 0.35 C ATOM 0 H THR A 147 6.667 -8.232 6.739 1.00 0.22 H new ATOM 0 HA THR A 147 9.598 -8.553 6.648 1.00 0.26 H new ATOM 0 HB THR A 147 9.199 -10.805 5.731 1.00 0.33 H new ATOM 0 HG1 THR A 147 7.025 -11.676 5.915 1.00 0.40 H new ATOM 0 HG21 THR A 147 8.453 -11.905 7.812 1.00 0.35 H new ATOM 0 HG22 THR A 147 9.583 -10.570 8.141 1.00 0.35 H new ATOM 0 HG23 THR A 147 7.838 -10.346 8.409 1.00 0.35 H new ATOM 904 N GLN A 148 9.621 -8.488 4.077 1.00 0.24 N ATOM 905 CA GLN A 148 9.672 -8.121 2.668 1.00 0.23 C ATOM 906 C GLN A 148 8.784 -9.049 1.828 1.00 0.21 C ATOM 907 O GLN A 148 8.180 -8.616 0.843 1.00 0.21 O ATOM 908 CB GLN A 148 11.128 -8.182 2.185 1.00 0.28 C ATOM 909 CG GLN A 148 11.342 -7.712 0.758 1.00 0.31 C ATOM 910 CD GLN A 148 10.969 -6.259 0.560 1.00 0.34 C ATOM 911 OE1 GLN A 148 11.793 -5.363 0.722 1.00 0.47 O ATOM 912 NE2 GLN A 148 9.718 -6.018 0.216 1.00 0.38 N ATOM 0 H GLN A 148 10.503 -8.840 4.448 1.00 0.24 H new ATOM 0 HA GLN A 148 9.293 -7.106 2.549 1.00 0.23 H new ATOM 0 HB2 GLN A 148 11.743 -7.575 2.849 1.00 0.28 H new ATOM 0 HB3 GLN A 148 11.483 -9.209 2.272 1.00 0.28 H new ATOM 0 HG2 GLN A 148 12.388 -7.855 0.486 1.00 0.31 H new ATOM 0 HG3 GLN A 148 10.750 -8.330 0.083 1.00 0.31 H new ATOM 0 HE21 GLN A 148 9.065 -6.792 0.092 1.00 0.38 H new ATOM 0 HE22 GLN A 148 9.404 -5.058 0.075 1.00 0.38 H new ATOM 921 N GLU A 149 8.694 -10.314 2.239 1.00 0.22 N ATOM 922 CA GLU A 149 7.912 -11.317 1.514 1.00 0.22 C ATOM 923 C GLU A 149 6.409 -11.039 1.616 1.00 0.18 C ATOM 924 O GLU A 149 5.665 -11.256 0.660 1.00 0.17 O ATOM 925 CB GLU A 149 8.227 -12.721 2.037 1.00 0.28 C ATOM 926 CG GLU A 149 7.688 -12.970 3.426 1.00 0.35 C ATOM 927 CD GLU A 149 7.940 -14.372 3.931 1.00 0.47 C ATOM 928 OE1 GLU A 149 9.031 -14.624 4.480 1.00 0.62 O ATOM 929 OE2 GLU A 149 7.043 -15.229 3.790 1.00 0.74 O ATOM 0 H GLU A 149 9.156 -10.670 3.076 1.00 0.22 H new ATOM 0 HA GLU A 149 8.193 -11.258 0.462 1.00 0.22 H new ATOM 0 HB2 GLU A 149 7.808 -13.459 1.353 1.00 0.28 H new ATOM 0 HB3 GLU A 149 9.307 -12.867 2.041 1.00 0.28 H new ATOM 0 HG2 GLU A 149 8.141 -12.258 4.115 1.00 0.35 H new ATOM 0 HG3 GLU A 149 6.615 -12.779 3.430 1.00 0.35 H new ATOM 936 N ALA A 150 5.968 -10.542 2.770 1.00 0.17 N ATOM 937 CA ALA A 150 4.551 -10.272 2.997 1.00 0.15 C ATOM 938 C ALA A 150 4.061 -9.186 2.054 1.00 0.13 C ATOM 939 O ALA A 150 2.921 -9.213 1.588 1.00 0.13 O ATOM 940 CB ALA A 150 4.314 -9.872 4.445 1.00 0.18 C ATOM 0 H ALA A 150 6.571 -10.318 3.561 1.00 0.17 H new ATOM 0 HA ALA A 150 3.986 -11.182 2.795 1.00 0.15 H new ATOM 0 HB1 ALA A 150 3.253 -9.674 4.599 1.00 0.18 H new ATOM 0 HB2 ALA A 150 4.631 -10.681 5.103 1.00 0.18 H new ATOM 0 HB3 ALA A 150 4.888 -8.974 4.673 1.00 0.18 H new ATOM 946 N ALA A 151 4.942 -8.239 1.767 1.00 0.13 N ATOM 947 CA ALA A 151 4.640 -7.165 0.836 1.00 0.13 C ATOM 948 C ALA A 151 4.380 -7.719 -0.552 1.00 0.12 C ATOM 949 O ALA A 151 3.394 -7.366 -1.192 1.00 0.13 O ATOM 950 CB ALA A 151 5.783 -6.177 0.803 1.00 0.16 C ATOM 0 H ALA A 151 5.878 -8.194 2.170 1.00 0.13 H new ATOM 0 HA ALA A 151 3.739 -6.653 1.173 1.00 0.13 H new ATOM 0 HB1 ALA A 151 5.550 -5.374 0.103 1.00 0.16 H new ATOM 0 HB2 ALA A 151 5.931 -5.759 1.799 1.00 0.16 H new ATOM 0 HB3 ALA A 151 6.693 -6.684 0.483 1.00 0.16 H new ATOM 956 N GLU A 152 5.267 -8.594 -1.004 1.00 0.13 N ATOM 957 CA GLU A 152 5.106 -9.246 -2.293 1.00 0.14 C ATOM 958 C GLU A 152 3.794 -10.020 -2.345 1.00 0.12 C ATOM 959 O GLU A 152 3.084 -9.964 -3.346 1.00 0.15 O ATOM 960 CB GLU A 152 6.278 -10.184 -2.566 1.00 0.18 C ATOM 961 CG GLU A 152 7.631 -9.507 -2.452 1.00 0.26 C ATOM 962 CD GLU A 152 8.752 -10.362 -2.994 1.00 0.75 C ATOM 963 OE1 GLU A 152 9.322 -11.166 -2.233 1.00 1.42 O ATOM 964 OE2 GLU A 152 9.074 -10.227 -4.193 1.00 0.95 O ATOM 0 H GLU A 152 6.107 -8.868 -0.495 1.00 0.13 H new ATOM 0 HA GLU A 152 5.085 -8.475 -3.063 1.00 0.14 H new ATOM 0 HB2 GLU A 152 6.237 -11.018 -1.865 1.00 0.18 H new ATOM 0 HB3 GLU A 152 6.173 -10.603 -3.567 1.00 0.18 H new ATOM 0 HG2 GLU A 152 7.607 -8.560 -2.992 1.00 0.26 H new ATOM 0 HG3 GLU A 152 7.830 -9.273 -1.406 1.00 0.26 H new ATOM 971 N ARG A 153 3.470 -10.719 -1.254 1.00 0.10 N ATOM 972 CA ARG A 153 2.211 -11.456 -1.156 1.00 0.12 C ATOM 973 C ARG A 153 1.017 -10.522 -1.331 1.00 0.11 C ATOM 974 O ARG A 153 0.040 -10.863 -1.993 1.00 0.16 O ATOM 975 CB ARG A 153 2.088 -12.173 0.186 1.00 0.16 C ATOM 976 CG ARG A 153 3.137 -13.247 0.427 1.00 0.21 C ATOM 977 CD ARG A 153 2.895 -13.955 1.751 1.00 0.26 C ATOM 978 NE ARG A 153 3.828 -15.060 1.977 1.00 0.38 N ATOM 979 CZ ARG A 153 3.514 -16.168 2.648 1.00 0.80 C ATOM 980 NH1 ARG A 153 2.276 -16.353 3.090 1.00 1.48 N ATOM 981 NH2 ARG A 153 4.432 -17.101 2.858 1.00 0.84 N ATOM 0 H ARG A 153 4.063 -10.789 -0.427 1.00 0.10 H new ATOM 0 HA ARG A 153 2.213 -12.197 -1.955 1.00 0.12 H new ATOM 0 HB2 ARG A 153 2.152 -11.435 0.985 1.00 0.16 H new ATOM 0 HB3 ARG A 153 1.099 -12.628 0.251 1.00 0.16 H new ATOM 0 HG2 ARG A 153 3.115 -13.972 -0.387 1.00 0.21 H new ATOM 0 HG3 ARG A 153 4.130 -12.798 0.427 1.00 0.21 H new ATOM 0 HD2 ARG A 153 2.985 -13.236 2.565 1.00 0.26 H new ATOM 0 HD3 ARG A 153 1.874 -14.336 1.774 1.00 0.26 H new ATOM 0 HE ARG A 153 4.772 -14.977 1.600 1.00 0.38 H new ATOM 0 HH11 ARG A 153 1.562 -15.646 2.916 1.00 1.48 H new ATOM 0 HH12 ARG A 153 2.039 -17.202 3.603 1.00 1.48 H new ATOM 0 HH21 ARG A 153 5.381 -16.972 2.506 1.00 0.84 H new ATOM 0 HH22 ARG A 153 4.190 -17.948 3.372 1.00 0.84 H new ATOM 995 N ALA A 154 1.095 -9.347 -0.723 1.00 0.09 N ATOM 996 CA ALA A 154 0.041 -8.353 -0.863 1.00 0.09 C ATOM 997 C ALA A 154 -0.015 -7.828 -2.293 1.00 0.09 C ATOM 998 O ALA A 154 -1.093 -7.636 -2.851 1.00 0.10 O ATOM 999 CB ALA A 154 0.246 -7.212 0.119 1.00 0.10 C ATOM 0 H ALA A 154 1.874 -9.059 -0.130 1.00 0.09 H new ATOM 0 HA ALA A 154 -0.912 -8.831 -0.636 1.00 0.09 H new ATOM 0 HB1 ALA A 154 -0.552 -6.480 -0.002 1.00 0.10 H new ATOM 0 HB2 ALA A 154 0.230 -7.601 1.137 1.00 0.10 H new ATOM 0 HB3 ALA A 154 1.207 -6.735 -0.073 1.00 0.10 H new ATOM 1005 N ILE A 155 1.155 -7.615 -2.882 1.00 0.09 N ATOM 1006 CA ILE A 155 1.252 -7.132 -4.254 1.00 0.10 C ATOM 1007 C ILE A 155 0.592 -8.103 -5.228 1.00 0.11 C ATOM 1008 O ILE A 155 -0.219 -7.699 -6.055 1.00 0.14 O ATOM 1009 CB ILE A 155 2.722 -6.894 -4.663 1.00 0.11 C ATOM 1010 CG1 ILE A 155 3.314 -5.756 -3.830 1.00 0.12 C ATOM 1011 CG2 ILE A 155 2.828 -6.576 -6.150 1.00 0.14 C ATOM 1012 CD1 ILE A 155 4.795 -5.544 -4.050 1.00 0.15 C ATOM 0 H ILE A 155 2.055 -7.770 -2.428 1.00 0.09 H new ATOM 0 HA ILE A 155 0.723 -6.180 -4.298 1.00 0.10 H new ATOM 0 HB ILE A 155 3.288 -7.806 -4.473 1.00 0.11 H new ATOM 0 HG12 ILE A 155 2.785 -4.832 -4.066 1.00 0.12 H new ATOM 0 HG13 ILE A 155 3.139 -5.962 -2.774 1.00 0.12 H new ATOM 0 HG21 ILE A 155 3.873 -6.412 -6.414 1.00 0.14 H new ATOM 0 HG22 ILE A 155 2.434 -7.411 -6.730 1.00 0.14 H new ATOM 0 HG23 ILE A 155 2.253 -5.677 -6.372 1.00 0.14 H new ATOM 0 HD11 ILE A 155 5.141 -4.721 -3.425 1.00 0.15 H new ATOM 0 HD12 ILE A 155 5.336 -6.453 -3.786 1.00 0.15 H new ATOM 0 HD13 ILE A 155 4.977 -5.305 -5.098 1.00 0.15 H new ATOM 1024 N GLU A 156 0.928 -9.381 -5.129 1.00 0.11 N ATOM 1025 CA GLU A 156 0.335 -10.384 -6.005 1.00 0.13 C ATOM 1026 C GLU A 156 -1.162 -10.512 -5.780 1.00 0.12 C ATOM 1027 O GLU A 156 -1.950 -10.538 -6.728 1.00 0.15 O ATOM 1028 CB GLU A 156 0.989 -11.764 -5.838 1.00 0.17 C ATOM 1029 CG GLU A 156 1.394 -12.121 -4.416 1.00 0.21 C ATOM 1030 CD GLU A 156 1.774 -13.577 -4.263 1.00 0.62 C ATOM 1031 OE1 GLU A 156 0.864 -14.420 -4.137 1.00 1.08 O ATOM 1032 OE2 GLU A 156 2.985 -13.888 -4.269 1.00 0.63 O ATOM 0 H GLU A 156 1.602 -9.747 -4.457 1.00 0.11 H new ATOM 0 HA GLU A 156 0.516 -10.035 -7.022 1.00 0.13 H new ATOM 0 HB2 GLU A 156 0.297 -12.523 -6.203 1.00 0.17 H new ATOM 0 HB3 GLU A 156 1.874 -11.808 -6.473 1.00 0.17 H new ATOM 0 HG2 GLU A 156 2.236 -11.497 -4.115 1.00 0.21 H new ATOM 0 HG3 GLU A 156 0.570 -11.892 -3.740 1.00 0.21 H new ATOM 1039 N LYS A 157 -1.544 -10.570 -4.526 1.00 0.09 N ATOM 1040 CA LYS A 157 -2.897 -10.919 -4.162 1.00 0.10 C ATOM 1041 C LYS A 157 -3.874 -9.751 -4.275 1.00 0.08 C ATOM 1042 O LYS A 157 -5.007 -9.938 -4.705 1.00 0.10 O ATOM 1043 CB LYS A 157 -2.918 -11.480 -2.745 1.00 0.12 C ATOM 1044 CG LYS A 157 -3.677 -12.790 -2.640 1.00 0.17 C ATOM 1045 CD LYS A 157 -5.106 -12.651 -3.146 1.00 0.21 C ATOM 1046 CE LYS A 157 -6.090 -12.323 -2.029 1.00 0.29 C ATOM 1047 NZ LYS A 157 -6.194 -13.423 -1.033 1.00 1.16 N ATOM 0 H LYS A 157 -0.930 -10.378 -3.734 1.00 0.09 H new ATOM 0 HA LYS A 157 -3.232 -11.673 -4.875 1.00 0.10 H new ATOM 0 HB2 LYS A 157 -1.894 -11.631 -2.404 1.00 0.12 H new ATOM 0 HB3 LYS A 157 -3.372 -10.748 -2.077 1.00 0.12 H new ATOM 0 HG2 LYS A 157 -3.160 -13.558 -3.215 1.00 0.17 H new ATOM 0 HG3 LYS A 157 -3.689 -13.122 -1.602 1.00 0.17 H new ATOM 0 HD2 LYS A 157 -5.146 -11.868 -3.903 1.00 0.21 H new ATOM 0 HD3 LYS A 157 -5.408 -13.579 -3.632 1.00 0.21 H new ATOM 0 HE2 LYS A 157 -5.775 -11.408 -1.527 1.00 0.29 H new ATOM 0 HE3 LYS A 157 -7.073 -12.129 -2.458 1.00 0.29 H new ATOM 0 HZ1 LYS A 157 -7.194 -13.676 -0.898 1.00 1.16 H new ATOM 0 HZ2 LYS A 157 -5.670 -14.253 -1.377 1.00 1.16 H new ATOM 0 HZ3 LYS A 157 -5.791 -13.110 -0.127 1.00 1.16 H new ATOM 1061 N MET A 158 -3.448 -8.557 -3.909 1.00 0.07 N ATOM 1062 CA MET A 158 -4.372 -7.426 -3.845 1.00 0.08 C ATOM 1063 C MET A 158 -4.354 -6.583 -5.106 1.00 0.09 C ATOM 1064 O MET A 158 -5.268 -5.792 -5.335 1.00 0.13 O ATOM 1065 CB MET A 158 -4.076 -6.539 -2.637 1.00 0.09 C ATOM 1066 CG MET A 158 -4.313 -7.234 -1.314 1.00 0.10 C ATOM 1067 SD MET A 158 -5.987 -7.891 -1.173 1.00 0.35 S ATOM 1068 CE MET A 158 -6.948 -6.402 -1.417 1.00 0.18 C ATOM 0 H MET A 158 -2.485 -8.340 -3.654 1.00 0.07 H new ATOM 0 HA MET A 158 -5.368 -7.857 -3.745 1.00 0.08 H new ATOM 0 HB2 MET A 158 -3.039 -6.206 -2.684 1.00 0.09 H new ATOM 0 HB3 MET A 158 -4.700 -5.647 -2.688 1.00 0.09 H new ATOM 0 HG2 MET A 158 -3.596 -8.047 -1.200 1.00 0.10 H new ATOM 0 HG3 MET A 158 -4.131 -6.532 -0.500 1.00 0.10 H new ATOM 0 HE1 MET A 158 -7.984 -6.587 -1.134 1.00 0.18 H new ATOM 0 HE2 MET A 158 -6.541 -5.601 -0.800 1.00 0.18 H new ATOM 0 HE3 MET A 158 -6.906 -6.109 -2.466 1.00 0.18 H new ATOM 1078 N ASN A 159 -3.323 -6.728 -5.920 1.00 0.09 N ATOM 1079 CA ASN A 159 -3.250 -5.959 -7.152 1.00 0.10 C ATOM 1080 C ASN A 159 -4.305 -6.459 -8.130 1.00 0.13 C ATOM 1081 O ASN A 159 -4.329 -7.639 -8.482 1.00 0.16 O ATOM 1082 CB ASN A 159 -1.856 -6.075 -7.770 1.00 0.14 C ATOM 1083 CG ASN A 159 -1.698 -5.273 -9.051 1.00 0.16 C ATOM 1084 OD1 ASN A 159 -2.431 -4.317 -9.296 1.00 0.44 O ATOM 1085 ND2 ASN A 159 -0.711 -5.635 -9.861 1.00 0.38 N ATOM 0 H ASN A 159 -2.538 -7.358 -5.756 1.00 0.09 H new ATOM 0 HA ASN A 159 -3.440 -4.909 -6.928 1.00 0.10 H new ATOM 0 HB2 ASN A 159 -1.115 -5.738 -7.045 1.00 0.14 H new ATOM 0 HB3 ASN A 159 -1.644 -7.124 -7.978 1.00 0.14 H new ATOM 0 HD21 ASN A 159 -0.540 -5.114 -10.721 1.00 0.38 H new ATOM 0 HD22 ASN A 159 -0.124 -6.434 -9.624 1.00 0.38 H new ATOM 1092 N GLY A 160 -5.167 -5.557 -8.569 1.00 0.14 N ATOM 1093 CA GLY A 160 -6.224 -5.925 -9.487 1.00 0.19 C ATOM 1094 C GLY A 160 -7.440 -6.488 -8.774 1.00 0.22 C ATOM 1095 O GLY A 160 -8.236 -7.215 -9.368 1.00 0.29 O ATOM 0 H GLY A 160 -5.154 -4.572 -8.305 1.00 0.14 H new ATOM 0 HA2 GLY A 160 -6.519 -5.050 -10.067 1.00 0.19 H new ATOM 0 HA3 GLY A 160 -5.847 -6.664 -10.194 1.00 0.19 H new ATOM 1099 N MET A 161 -7.581 -6.149 -7.500 1.00 0.22 N ATOM 1100 CA MET A 161 -8.693 -6.633 -6.685 1.00 0.27 C ATOM 1101 C MET A 161 -9.715 -5.539 -6.426 1.00 0.24 C ATOM 1102 O MET A 161 -9.414 -4.357 -6.555 1.00 0.23 O ATOM 1103 CB MET A 161 -8.171 -7.155 -5.350 1.00 0.32 C ATOM 1104 CG MET A 161 -8.049 -8.667 -5.264 1.00 0.68 C ATOM 1105 SD MET A 161 -7.214 -9.403 -6.683 1.00 1.18 S ATOM 1106 CE MET A 161 -8.594 -10.175 -7.523 1.00 1.04 C ATOM 0 H MET A 161 -6.935 -5.536 -7.003 1.00 0.22 H new ATOM 0 HA MET A 161 -9.181 -7.436 -7.238 1.00 0.27 H new ATOM 0 HB2 MET A 161 -7.193 -6.714 -5.160 1.00 0.32 H new ATOM 0 HB3 MET A 161 -8.835 -6.812 -4.556 1.00 0.32 H new ATOM 0 HG2 MET A 161 -7.505 -8.929 -4.356 1.00 0.68 H new ATOM 0 HG3 MET A 161 -9.045 -9.100 -5.174 1.00 0.68 H new ATOM 0 HE1 MET A 161 -8.581 -11.248 -7.334 1.00 1.04 H new ATOM 0 HE2 MET A 161 -9.528 -9.753 -7.152 1.00 1.04 H new ATOM 0 HE3 MET A 161 -8.515 -9.994 -8.595 1.00 1.04 H new ATOM 1116 N LEU A 162 -10.917 -5.943 -6.037 1.00 0.26 N ATOM 1117 CA LEU A 162 -11.970 -5.000 -5.696 1.00 0.26 C ATOM 1118 C LEU A 162 -12.114 -4.949 -4.190 1.00 0.28 C ATOM 1119 O LEU A 162 -12.618 -5.891 -3.579 1.00 0.44 O ATOM 1120 CB LEU A 162 -13.317 -5.399 -6.305 1.00 0.31 C ATOM 1121 CG LEU A 162 -13.400 -5.407 -7.830 1.00 0.34 C ATOM 1122 CD1 LEU A 162 -14.810 -5.754 -8.267 1.00 0.42 C ATOM 1123 CD2 LEU A 162 -12.999 -4.060 -8.398 1.00 0.34 C ATOM 0 H LEU A 162 -11.186 -6.923 -5.950 1.00 0.26 H new ATOM 0 HA LEU A 162 -11.691 -4.026 -6.099 1.00 0.26 H new ATOM 0 HB2 LEU A 162 -13.573 -6.395 -5.944 1.00 0.31 H new ATOM 0 HB3 LEU A 162 -14.078 -4.717 -5.926 1.00 0.31 H new ATOM 0 HG LEU A 162 -12.709 -6.159 -8.210 1.00 0.34 H new ATOM 0 HD11 LEU A 162 -14.863 -5.758 -9.356 1.00 0.42 H new ATOM 0 HD12 LEU A 162 -15.076 -6.740 -7.887 1.00 0.42 H new ATOM 0 HD13 LEU A 162 -15.506 -5.013 -7.873 1.00 0.42 H new ATOM 0 HD21 LEU A 162 -13.066 -4.089 -9.486 1.00 0.34 H new ATOM 0 HD22 LEU A 162 -13.668 -3.290 -8.014 1.00 0.34 H new ATOM 0 HD23 LEU A 162 -11.975 -3.831 -8.103 1.00 0.34 H new ATOM 1135 N LEU A 163 -11.662 -3.872 -3.581 1.00 0.25 N ATOM 1136 CA LEU A 163 -11.737 -3.770 -2.132 1.00 0.33 C ATOM 1137 C LEU A 163 -13.016 -3.075 -1.677 1.00 0.45 C ATOM 1138 O LEU A 163 -13.092 -2.574 -0.553 1.00 1.02 O ATOM 1139 CB LEU A 163 -10.506 -3.047 -1.586 1.00 0.29 C ATOM 1140 CG LEU A 163 -9.553 -3.931 -0.790 1.00 0.31 C ATOM 1141 CD1 LEU A 163 -8.383 -3.117 -0.266 1.00 0.31 C ATOM 1142 CD2 LEU A 163 -10.296 -4.601 0.355 1.00 0.34 C ATOM 0 H LEU A 163 -11.246 -3.068 -4.052 1.00 0.25 H new ATOM 0 HA LEU A 163 -11.759 -4.783 -1.730 1.00 0.33 H new ATOM 0 HB2 LEU A 163 -9.960 -2.606 -2.420 1.00 0.29 H new ATOM 0 HB3 LEU A 163 -10.836 -2.225 -0.950 1.00 0.29 H new ATOM 0 HG LEU A 163 -9.160 -4.705 -1.450 1.00 0.31 H new ATOM 0 HD11 LEU A 163 -7.713 -3.765 0.300 1.00 0.31 H new ATOM 0 HD12 LEU A 163 -7.841 -2.678 -1.104 1.00 0.31 H new ATOM 0 HD13 LEU A 163 -8.754 -2.323 0.383 1.00 0.31 H new ATOM 0 HD21 LEU A 163 -9.606 -5.230 0.917 1.00 0.34 H new ATOM 0 HD22 LEU A 163 -10.712 -3.839 1.014 1.00 0.34 H new ATOM 0 HD23 LEU A 163 -11.103 -5.215 -0.045 1.00 0.34 H new ATOM 1154 N ASN A 164 -14.024 -3.093 -2.548 1.00 0.41 N ATOM 1155 CA ASN A 164 -15.291 -2.396 -2.340 1.00 0.42 C ATOM 1156 C ASN A 164 -16.097 -2.429 -3.631 1.00 0.45 C ATOM 1157 O ASN A 164 -17.009 -3.235 -3.797 1.00 0.72 O ATOM 1158 CB ASN A 164 -15.097 -0.937 -1.856 1.00 0.49 C ATOM 1159 CG ASN A 164 -13.935 -0.202 -2.493 1.00 1.06 C ATOM 1160 OD1 ASN A 164 -13.990 0.219 -3.642 1.00 1.71 O ATOM 1161 ND2 ASN A 164 -12.894 0.008 -1.715 1.00 1.07 N ATOM 0 H ASN A 164 -13.982 -3.601 -3.432 1.00 0.41 H new ATOM 0 HA ASN A 164 -15.832 -2.913 -1.548 1.00 0.42 H new ATOM 0 HB2 ASN A 164 -16.013 -0.379 -2.053 1.00 0.49 H new ATOM 0 HB3 ASN A 164 -14.955 -0.944 -0.775 1.00 0.49 H new ATOM 0 HD21 ASN A 164 -12.095 0.538 -2.064 1.00 1.07 H new ATOM 0 HD22 ASN A 164 -12.886 -0.359 -0.763 1.00 1.07 H new ATOM 1168 N ASP A 165 -15.735 -1.548 -4.524 1.00 0.42 N ATOM 1169 CA ASP A 165 -16.250 -1.519 -5.880 1.00 0.44 C ATOM 1170 C ASP A 165 -15.194 -0.926 -6.816 1.00 0.43 C ATOM 1171 O ASP A 165 -15.453 -0.627 -7.981 1.00 0.65 O ATOM 1172 CB ASP A 165 -17.557 -0.714 -5.947 1.00 0.55 C ATOM 1173 CG ASP A 165 -18.185 -0.710 -7.332 1.00 0.71 C ATOM 1174 OD1 ASP A 165 -18.628 -1.783 -7.795 1.00 0.82 O ATOM 1175 OD2 ASP A 165 -18.239 0.368 -7.964 1.00 0.85 O ATOM 0 H ASP A 165 -15.058 -0.810 -4.331 1.00 0.42 H new ATOM 0 HA ASP A 165 -16.472 -2.537 -6.199 1.00 0.44 H new ATOM 0 HB2 ASP A 165 -18.269 -1.128 -5.233 1.00 0.55 H new ATOM 0 HB3 ASP A 165 -17.360 0.313 -5.641 1.00 0.55 H new ATOM 1180 N ARG A 166 -13.979 -0.801 -6.302 1.00 0.32 N ATOM 1181 CA ARG A 166 -12.890 -0.184 -7.037 1.00 0.27 C ATOM 1182 C ARG A 166 -11.731 -1.155 -7.113 1.00 0.24 C ATOM 1183 O ARG A 166 -11.390 -1.800 -6.117 1.00 0.24 O ATOM 1184 CB ARG A 166 -12.437 1.115 -6.362 1.00 0.24 C ATOM 1185 CG ARG A 166 -13.517 2.182 -6.275 1.00 0.27 C ATOM 1186 CD ARG A 166 -12.986 3.459 -5.640 1.00 0.27 C ATOM 1187 NE ARG A 166 -14.036 4.465 -5.468 1.00 0.42 N ATOM 1188 CZ ARG A 166 -13.820 5.719 -5.063 1.00 0.58 C ATOM 1189 NH1 ARG A 166 -12.594 6.126 -4.751 1.00 0.96 N ATOM 1190 NH2 ARG A 166 -14.838 6.560 -4.948 1.00 0.70 N ATOM 0 H ARG A 166 -13.723 -1.123 -5.369 1.00 0.32 H new ATOM 0 HA ARG A 166 -13.238 0.061 -8.041 1.00 0.27 H new ATOM 0 HB2 ARG A 166 -12.087 0.885 -5.356 1.00 0.24 H new ATOM 0 HB3 ARG A 166 -11.586 1.519 -6.911 1.00 0.24 H new ATOM 0 HG2 ARG A 166 -13.896 2.401 -7.273 1.00 0.27 H new ATOM 0 HG3 ARG A 166 -14.357 1.805 -5.691 1.00 0.27 H new ATOM 0 HD2 ARG A 166 -12.546 3.226 -4.671 1.00 0.27 H new ATOM 0 HD3 ARG A 166 -12.190 3.869 -6.262 1.00 0.27 H new ATOM 0 HE ARG A 166 -14.997 4.189 -5.671 1.00 0.42 H new ATOM 0 HH11 ARG A 166 -11.809 5.479 -4.820 1.00 0.96 H new ATOM 0 HH12 ARG A 166 -12.438 7.086 -4.443 1.00 0.96 H new ATOM 0 HH21 ARG A 166 -15.784 6.249 -5.169 1.00 0.70 H new ATOM 0 HH22 ARG A 166 -14.675 7.518 -4.639 1.00 0.70 H new ATOM 1204 N LYS A 167 -11.146 -1.278 -8.290 1.00 0.22 N ATOM 1205 CA LYS A 167 -10.038 -2.193 -8.490 1.00 0.20 C ATOM 1206 C LYS A 167 -8.749 -1.513 -8.072 1.00 0.17 C ATOM 1207 O LYS A 167 -8.340 -0.523 -8.674 1.00 0.22 O ATOM 1208 CB LYS A 167 -9.967 -2.632 -9.955 1.00 0.23 C ATOM 1209 CG LYS A 167 -9.100 -3.858 -10.185 1.00 0.40 C ATOM 1210 CD LYS A 167 -9.202 -4.377 -11.616 1.00 0.47 C ATOM 1211 CE LYS A 167 -10.566 -4.992 -11.902 1.00 0.53 C ATOM 1212 NZ LYS A 167 -11.572 -3.984 -12.329 1.00 1.00 N ATOM 0 H LYS A 167 -11.420 -0.756 -9.122 1.00 0.22 H new ATOM 0 HA LYS A 167 -10.187 -3.084 -7.879 1.00 0.20 H new ATOM 0 HB2 LYS A 167 -10.976 -2.839 -10.312 1.00 0.23 H new ATOM 0 HB3 LYS A 167 -9.580 -1.807 -10.554 1.00 0.23 H new ATOM 0 HG2 LYS A 167 -8.061 -3.613 -9.963 1.00 0.40 H new ATOM 0 HG3 LYS A 167 -9.397 -4.646 -9.493 1.00 0.40 H new ATOM 0 HD2 LYS A 167 -9.020 -3.559 -12.313 1.00 0.47 H new ATOM 0 HD3 LYS A 167 -8.425 -5.122 -11.788 1.00 0.47 H new ATOM 0 HE2 LYS A 167 -10.463 -5.748 -12.680 1.00 0.53 H new ATOM 0 HE3 LYS A 167 -10.925 -5.501 -11.008 1.00 0.53 H new ATOM 0 HZ1 LYS A 167 -12.343 -3.946 -11.632 1.00 1.00 H new ATOM 0 HZ2 LYS A 167 -11.120 -3.050 -12.396 1.00 1.00 H new ATOM 0 HZ3 LYS A 167 -11.957 -4.250 -13.258 1.00 1.00 H new ATOM 1226 N VAL A 168 -8.094 -2.057 -7.064 1.00 0.13 N ATOM 1227 CA VAL A 168 -6.941 -1.397 -6.491 1.00 0.12 C ATOM 1228 C VAL A 168 -5.664 -2.003 -7.023 1.00 0.11 C ATOM 1229 O VAL A 168 -5.575 -3.207 -7.267 1.00 0.13 O ATOM 1230 CB VAL A 168 -6.916 -1.458 -4.945 1.00 0.13 C ATOM 1231 CG1 VAL A 168 -8.039 -0.628 -4.348 1.00 0.17 C ATOM 1232 CG2 VAL A 168 -6.987 -2.896 -4.444 1.00 0.13 C ATOM 0 H VAL A 168 -8.339 -2.947 -6.629 1.00 0.13 H new ATOM 0 HA VAL A 168 -7.017 -0.350 -6.784 1.00 0.12 H new ATOM 0 HB VAL A 168 -5.967 -1.035 -4.617 1.00 0.13 H new ATOM 0 HG11 VAL A 168 -7.998 -0.689 -3.260 1.00 0.17 H new ATOM 0 HG12 VAL A 168 -7.928 0.411 -4.658 1.00 0.17 H new ATOM 0 HG13 VAL A 168 -8.999 -1.010 -4.697 1.00 0.17 H new ATOM 0 HG21 VAL A 168 -6.967 -2.903 -3.354 1.00 0.13 H new ATOM 0 HG22 VAL A 168 -7.911 -3.358 -4.793 1.00 0.13 H new ATOM 0 HG23 VAL A 168 -6.134 -3.457 -4.826 1.00 0.13 H new ATOM 1242 N PHE A 169 -4.689 -1.148 -7.224 1.00 0.11 N ATOM 1243 CA PHE A 169 -3.407 -1.560 -7.734 1.00 0.12 C ATOM 1244 C PHE A 169 -2.384 -1.524 -6.615 1.00 0.10 C ATOM 1245 O PHE A 169 -2.181 -0.488 -5.988 1.00 0.12 O ATOM 1246 CB PHE A 169 -2.994 -0.641 -8.888 1.00 0.18 C ATOM 1247 CG PHE A 169 -1.552 -0.755 -9.280 1.00 0.14 C ATOM 1248 CD1 PHE A 169 -1.135 -1.725 -10.172 1.00 0.25 C ATOM 1249 CD2 PHE A 169 -0.617 0.114 -8.750 1.00 0.18 C ATOM 1250 CE1 PHE A 169 0.194 -1.830 -10.528 1.00 0.30 C ATOM 1251 CE2 PHE A 169 0.715 0.014 -9.100 1.00 0.23 C ATOM 1252 CZ PHE A 169 1.122 -0.959 -9.991 1.00 0.26 C ATOM 0 H PHE A 169 -4.764 -0.148 -7.038 1.00 0.11 H new ATOM 0 HA PHE A 169 -3.467 -2.580 -8.114 1.00 0.12 H new ATOM 0 HB2 PHE A 169 -3.614 -0.866 -9.756 1.00 0.18 H new ATOM 0 HB3 PHE A 169 -3.202 0.392 -8.607 1.00 0.18 H new ATOM 0 HD1 PHE A 169 -1.857 -2.408 -10.595 1.00 0.25 H new ATOM 0 HD2 PHE A 169 -0.931 0.879 -8.055 1.00 0.18 H new ATOM 0 HE1 PHE A 169 0.508 -2.592 -11.226 1.00 0.30 H new ATOM 0 HE2 PHE A 169 1.438 0.696 -8.677 1.00 0.23 H new ATOM 0 HZ PHE A 169 2.163 -1.039 -10.267 1.00 0.26 H new ATOM 1262 N VAL A 170 -1.761 -2.658 -6.358 1.00 0.09 N ATOM 1263 CA VAL A 170 -0.729 -2.740 -5.341 1.00 0.10 C ATOM 1264 C VAL A 170 0.596 -3.087 -5.992 1.00 0.11 C ATOM 1265 O VAL A 170 0.697 -4.069 -6.728 1.00 0.13 O ATOM 1266 CB VAL A 170 -1.038 -3.800 -4.255 1.00 0.10 C ATOM 1267 CG1 VAL A 170 0.020 -3.774 -3.163 1.00 0.11 C ATOM 1268 CG2 VAL A 170 -2.420 -3.601 -3.655 1.00 0.09 C ATOM 0 H VAL A 170 -1.951 -3.537 -6.840 1.00 0.09 H new ATOM 0 HA VAL A 170 -0.687 -1.766 -4.853 1.00 0.10 H new ATOM 0 HB VAL A 170 -1.021 -4.777 -4.738 1.00 0.10 H new ATOM 0 HG11 VAL A 170 -0.216 -4.526 -2.410 1.00 0.11 H new ATOM 0 HG12 VAL A 170 0.996 -3.989 -3.597 1.00 0.11 H new ATOM 0 HG13 VAL A 170 0.039 -2.788 -2.698 1.00 0.11 H new ATOM 0 HG21 VAL A 170 -2.601 -4.363 -2.897 1.00 0.09 H new ATOM 0 HG22 VAL A 170 -2.479 -2.613 -3.198 1.00 0.09 H new ATOM 0 HG23 VAL A 170 -3.172 -3.683 -4.439 1.00 0.09 H new ATOM 1278 N GLY A 171 1.596 -2.268 -5.735 1.00 0.12 N ATOM 1279 CA GLY A 171 2.912 -2.510 -6.275 1.00 0.14 C ATOM 1280 C GLY A 171 3.988 -2.085 -5.308 1.00 0.14 C ATOM 1281 O GLY A 171 3.701 -1.809 -4.140 1.00 0.18 O ATOM 0 H GLY A 171 1.519 -1.432 -5.156 1.00 0.12 H new ATOM 0 HA2 GLY A 171 3.024 -3.570 -6.504 1.00 0.14 H new ATOM 0 HA3 GLY A 171 3.028 -1.967 -7.213 1.00 0.14 H new ATOM 1285 N ARG A 172 5.218 -2.014 -5.787 1.00 0.18 N ATOM 1286 CA ARG A 172 6.333 -1.611 -4.946 1.00 0.19 C ATOM 1287 C ARG A 172 6.181 -0.136 -4.602 1.00 0.22 C ATOM 1288 O ARG A 172 5.861 0.668 -5.476 1.00 0.36 O ATOM 1289 CB ARG A 172 7.673 -1.875 -5.645 1.00 0.23 C ATOM 1290 CG ARG A 172 7.855 -3.314 -6.123 1.00 0.32 C ATOM 1291 CD ARG A 172 8.106 -4.299 -4.982 1.00 0.39 C ATOM 1292 NE ARG A 172 7.903 -5.678 -5.422 1.00 1.03 N ATOM 1293 CZ ARG A 172 8.609 -6.724 -4.997 1.00 1.26 C ATOM 1294 NH1 ARG A 172 9.619 -6.559 -4.152 1.00 1.34 N ATOM 1295 NH2 ARG A 172 8.300 -7.941 -5.429 1.00 1.93 N ATOM 0 H ARG A 172 5.470 -2.230 -6.752 1.00 0.18 H new ATOM 0 HA ARG A 172 6.326 -2.201 -4.029 1.00 0.19 H new ATOM 0 HB2 ARG A 172 7.762 -1.205 -6.500 1.00 0.23 H new ATOM 0 HB3 ARG A 172 8.483 -1.626 -4.960 1.00 0.23 H new ATOM 0 HG2 ARG A 172 6.966 -3.623 -6.672 1.00 0.32 H new ATOM 0 HG3 ARG A 172 8.691 -3.355 -6.821 1.00 0.32 H new ATOM 0 HD2 ARG A 172 9.124 -4.179 -4.611 1.00 0.39 H new ATOM 0 HD3 ARG A 172 7.436 -4.077 -4.152 1.00 0.39 H new ATOM 0 HE ARG A 172 7.166 -5.852 -6.105 1.00 1.03 H new ATOM 0 HH11 ARG A 172 9.861 -5.625 -3.822 1.00 1.34 H new ATOM 0 HH12 ARG A 172 10.154 -7.367 -3.832 1.00 1.34 H new ATOM 0 HH21 ARG A 172 7.527 -8.069 -6.082 1.00 1.93 H new ATOM 0 HH22 ARG A 172 8.836 -8.747 -5.108 1.00 1.93 H new