USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=14 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= -2.37 F(o=-8.1!,f=-4.7) USER MOD Set 1.2: A 144 HIS : no HE2:sc= -2.31 K(o=-4.7,f=-7!) USER MOD Single : A 104 LYS NZ :NH3+ 159:sc= -0.166 (180deg=-0.613) USER MOD Single : A 105 ASN : amide:sc= 0.931 K(o=0.93,f=-1.7!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 81:sc= 0.8 USER MOD Single : A 112 ASN : amide:sc= 0.501 K(o=0.5,f=-7.6!) USER MOD Single : A 113 LYS NZ :NH3+ 161:sc= -0.0587 (180deg=-0.351) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 86:sc= 1.28 USER MOD Single : A 120 SER OG : rot 145:sc= 0.169 USER MOD Single : A 124 ASN : amide:sc= 1.16 K(o=1.2,f=-0.68) USER MOD Single : A 127 SER OG : rot 4:sc= 0.365 USER MOD Single : A 128 CYS SG : rot 131:sc= -3.69! USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 TYR OH : rot 180:sc= 0 USER MOD Single : A 147 THR OG1 : rot 180:sc= 0 USER MOD Single : A 148 GLN : amide:sc= -0.685 X(o=-0.69,f=-1) USER MOD Single : A 157 LYS NZ :NH3+ -115:sc= -0.549 (180deg=-1.63) USER MOD Single : A 158 MET CE :methyl 163:sc= -1.05 (180deg=-1.73!) USER MOD Single : A 159 ASN : amide:sc= -1.65! C(o=-1.7!,f=-4.3!) USER MOD Single : A 161 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 164 ASN : amide:sc= -0.12 K(o=-0.12,f=-1.5!) USER MOD Single : A 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 140 N VAL A 98 11.041 -1.439 4.640 1.00 0.29 N ATOM 141 CA VAL A 98 10.888 -2.885 4.432 1.00 0.33 C ATOM 142 C VAL A 98 9.429 -3.315 4.393 1.00 0.25 C ATOM 143 O VAL A 98 8.639 -2.996 5.279 1.00 0.27 O ATOM 144 CB VAL A 98 11.640 -3.726 5.480 1.00 0.49 C ATOM 145 CG1 VAL A 98 11.168 -5.172 5.447 1.00 0.47 C ATOM 146 CG2 VAL A 98 13.132 -3.668 5.231 1.00 0.71 C ATOM 0 HA VAL A 98 11.336 -3.076 3.457 1.00 0.33 H new ATOM 0 HB VAL A 98 11.427 -3.310 6.465 1.00 0.49 H new ATOM 0 HG11 VAL A 98 11.712 -5.749 6.195 1.00 0.47 H new ATOM 0 HG12 VAL A 98 10.100 -5.211 5.664 1.00 0.47 H new ATOM 0 HG13 VAL A 98 11.353 -5.593 4.459 1.00 0.47 H new ATOM 0 HG21 VAL A 98 13.649 -4.267 5.980 1.00 0.71 H new ATOM 0 HG22 VAL A 98 13.351 -4.060 4.238 1.00 0.71 H new ATOM 0 HG23 VAL A 98 13.472 -2.634 5.296 1.00 0.71 H new ATOM 156 N GLY A 99 9.074 -4.050 3.352 1.00 0.21 N ATOM 157 CA GLY A 99 7.708 -4.491 3.214 1.00 0.20 C ATOM 158 C GLY A 99 6.806 -3.345 2.822 1.00 0.15 C ATOM 159 O GLY A 99 5.607 -3.366 3.081 1.00 0.18 O ATOM 0 H GLY A 99 9.704 -4.346 2.606 1.00 0.21 H new ATOM 0 HA2 GLY A 99 7.650 -5.278 2.462 1.00 0.20 H new ATOM 0 HA3 GLY A 99 7.365 -4.923 4.154 1.00 0.20 H new ATOM 163 N ASN A 100 7.403 -2.335 2.212 1.00 0.13 N ATOM 164 CA ASN A 100 6.699 -1.102 1.888 1.00 0.14 C ATOM 165 C ASN A 100 6.077 -1.235 0.506 1.00 0.14 C ATOM 166 O ASN A 100 6.773 -1.544 -0.465 1.00 0.19 O ATOM 167 CB ASN A 100 7.707 0.056 1.910 1.00 0.21 C ATOM 168 CG ASN A 100 8.221 0.373 3.298 1.00 0.28 C ATOM 169 OD1 ASN A 100 8.022 -0.542 4.241 1.00 0.63 O flip ATOM 170 ND2 ASN A 100 8.771 1.446 3.530 1.00 0.20 N flip ATOM 0 H ASN A 100 8.383 -2.344 1.928 1.00 0.13 H new ATOM 0 HA ASN A 100 5.909 -0.908 2.614 1.00 0.14 H new ATOM 0 HB2 ASN A 100 8.550 -0.192 1.265 1.00 0.21 H new ATOM 0 HB3 ASN A 100 7.237 0.946 1.491 1.00 0.21 H new ATOM 0 HD21 ASN A 100 8.906 2.123 2.779 1.00 0.20 H new ATOM 0 HD22 ASN A 100 9.093 1.660 4.474 1.00 0.20 H new ATOM 177 N ILE A 101 4.775 -1.016 0.420 1.00 0.12 N ATOM 178 CA ILE A 101 4.064 -1.082 -0.853 1.00 0.13 C ATOM 179 C ILE A 101 3.110 0.091 -0.983 1.00 0.12 C ATOM 180 O ILE A 101 2.781 0.738 0.012 1.00 0.15 O ATOM 181 CB ILE A 101 3.271 -2.401 -1.018 1.00 0.13 C ATOM 182 CG1 ILE A 101 2.184 -2.518 0.054 1.00 0.11 C ATOM 183 CG2 ILE A 101 4.209 -3.597 -0.969 1.00 0.15 C ATOM 184 CD1 ILE A 101 1.400 -3.812 -0.006 1.00 0.13 C ATOM 0 H ILE A 101 4.184 -0.790 1.220 1.00 0.12 H new ATOM 0 HA ILE A 101 4.819 -1.043 -1.638 1.00 0.13 H new ATOM 0 HB ILE A 101 2.784 -2.389 -1.993 1.00 0.13 H new ATOM 0 HG12 ILE A 101 2.646 -2.430 1.037 1.00 0.11 H new ATOM 0 HG13 ILE A 101 1.493 -1.681 -0.050 1.00 0.11 H new ATOM 0 HG21 ILE A 101 3.634 -4.515 -1.087 1.00 0.15 H new ATOM 0 HG22 ILE A 101 4.939 -3.520 -1.775 1.00 0.15 H new ATOM 0 HG23 ILE A 101 4.727 -3.614 -0.010 1.00 0.15 H new ATOM 0 HD11 ILE A 101 0.650 -3.820 0.784 1.00 0.13 H new ATOM 0 HD12 ILE A 101 0.907 -3.894 -0.975 1.00 0.13 H new ATOM 0 HD13 ILE A 101 2.078 -4.655 0.129 1.00 0.13 H new ATOM 196 N PHE A 102 2.655 0.355 -2.196 1.00 0.11 N ATOM 197 CA PHE A 102 1.685 1.410 -2.414 1.00 0.11 C ATOM 198 C PHE A 102 0.454 0.851 -3.125 1.00 0.09 C ATOM 199 O PHE A 102 0.555 -0.081 -3.929 1.00 0.11 O ATOM 200 CB PHE A 102 2.316 2.574 -3.196 1.00 0.16 C ATOM 201 CG PHE A 102 1.877 2.694 -4.629 1.00 0.13 C ATOM 202 CD1 PHE A 102 0.759 3.445 -4.957 1.00 0.14 C ATOM 203 CD2 PHE A 102 2.583 2.073 -5.645 1.00 0.17 C ATOM 204 CE1 PHE A 102 0.352 3.570 -6.266 1.00 0.17 C ATOM 205 CE2 PHE A 102 2.182 2.196 -6.958 1.00 0.21 C ATOM 206 CZ PHE A 102 1.064 2.946 -7.272 1.00 0.20 C ATOM 0 H PHE A 102 2.940 -0.144 -3.039 1.00 0.11 H new ATOM 0 HA PHE A 102 1.365 1.804 -1.450 1.00 0.11 H new ATOM 0 HB2 PHE A 102 2.082 3.506 -2.681 1.00 0.16 H new ATOM 0 HB3 PHE A 102 3.400 2.461 -3.173 1.00 0.16 H new ATOM 0 HD1 PHE A 102 0.200 3.938 -4.176 1.00 0.14 H new ATOM 0 HD2 PHE A 102 3.457 1.486 -5.406 1.00 0.17 H new ATOM 0 HE1 PHE A 102 -0.523 4.155 -6.506 1.00 0.17 H new ATOM 0 HE2 PHE A 102 2.741 1.706 -7.742 1.00 0.21 H new ATOM 0 HZ PHE A 102 0.748 3.044 -8.300 1.00 0.20 H new ATOM 216 N ILE A 103 -0.702 1.410 -2.800 1.00 0.08 N ATOM 217 CA ILE A 103 -1.973 0.969 -3.357 1.00 0.08 C ATOM 218 C ILE A 103 -2.689 2.149 -4.008 1.00 0.08 C ATOM 219 O ILE A 103 -2.586 3.271 -3.523 1.00 0.15 O ATOM 220 CB ILE A 103 -2.875 0.384 -2.252 1.00 0.08 C ATOM 221 CG1 ILE A 103 -2.128 -0.687 -1.459 1.00 0.08 C ATOM 222 CG2 ILE A 103 -4.149 -0.200 -2.847 1.00 0.10 C ATOM 223 CD1 ILE A 103 -2.485 -0.696 0.006 1.00 0.09 C ATOM 0 H ILE A 103 -0.786 2.184 -2.141 1.00 0.08 H new ATOM 0 HA ILE A 103 -1.772 0.198 -4.101 1.00 0.08 H new ATOM 0 HB ILE A 103 -3.148 1.194 -1.576 1.00 0.08 H new ATOM 0 HG12 ILE A 103 -2.347 -1.666 -1.886 1.00 0.08 H new ATOM 0 HG13 ILE A 103 -1.055 -0.526 -1.564 1.00 0.08 H new ATOM 0 HG21 ILE A 103 -4.770 -0.607 -2.049 1.00 0.10 H new ATOM 0 HG22 ILE A 103 -4.698 0.583 -3.371 1.00 0.10 H new ATOM 0 HG23 ILE A 103 -3.892 -0.994 -3.548 1.00 0.10 H new ATOM 0 HD11 ILE A 103 -1.921 -1.479 0.513 1.00 0.09 H new ATOM 0 HD12 ILE A 103 -2.240 0.271 0.446 1.00 0.09 H new ATOM 0 HD13 ILE A 103 -3.552 -0.886 0.119 1.00 0.09 H new ATOM 235 N LYS A 104 -3.399 1.901 -5.098 1.00 0.13 N ATOM 236 CA LYS A 104 -4.137 2.954 -5.783 1.00 0.13 C ATOM 237 C LYS A 104 -5.580 2.533 -6.042 1.00 0.12 C ATOM 238 O LYS A 104 -5.883 1.341 -6.091 1.00 0.14 O ATOM 239 CB LYS A 104 -3.462 3.304 -7.110 1.00 0.19 C ATOM 240 CG LYS A 104 -3.223 4.800 -7.292 1.00 0.28 C ATOM 241 CD LYS A 104 -2.448 5.113 -8.566 1.00 0.39 C ATOM 242 CE LYS A 104 -3.322 5.030 -9.811 1.00 0.66 C ATOM 243 NZ LYS A 104 -4.457 5.992 -9.760 1.00 1.46 N ATOM 0 H LYS A 104 -3.480 0.980 -5.528 1.00 0.13 H new ATOM 0 HA LYS A 104 -4.139 3.832 -5.136 1.00 0.13 H new ATOM 0 HB2 LYS A 104 -2.508 2.781 -7.173 1.00 0.19 H new ATOM 0 HB3 LYS A 104 -4.080 2.940 -7.931 1.00 0.19 H new ATOM 0 HG2 LYS A 104 -4.182 5.318 -7.316 1.00 0.28 H new ATOM 0 HG3 LYS A 104 -2.674 5.185 -6.432 1.00 0.28 H new ATOM 0 HD2 LYS A 104 -2.020 6.113 -8.492 1.00 0.39 H new ATOM 0 HD3 LYS A 104 -1.615 4.416 -8.662 1.00 0.39 H new ATOM 0 HE2 LYS A 104 -2.715 5.231 -10.694 1.00 0.66 H new ATOM 0 HE3 LYS A 104 -3.710 4.017 -9.915 1.00 0.66 H new ATOM 0 HZ1 LYS A 104 -4.807 6.167 -10.724 1.00 1.46 H new ATOM 0 HZ2 LYS A 104 -5.223 5.594 -9.180 1.00 1.46 H new ATOM 0 HZ3 LYS A 104 -4.135 6.887 -9.340 1.00 1.46 H new ATOM 257 N ASN A 105 -6.449 3.533 -6.198 1.00 0.12 N ATOM 258 CA ASN A 105 -7.870 3.345 -6.513 1.00 0.13 C ATOM 259 C ASN A 105 -8.637 2.783 -5.314 1.00 0.15 C ATOM 260 O ASN A 105 -9.569 1.993 -5.464 1.00 0.25 O ATOM 261 CB ASN A 105 -8.064 2.446 -7.739 1.00 0.16 C ATOM 262 CG ASN A 105 -9.445 2.617 -8.352 1.00 0.23 C ATOM 263 OD1 ASN A 105 -10.040 3.694 -8.284 1.00 0.49 O ATOM 264 ND2 ASN A 105 -9.971 1.556 -8.935 1.00 0.34 N ATOM 0 H ASN A 105 -6.183 4.514 -6.108 1.00 0.12 H new ATOM 0 HA ASN A 105 -8.276 4.329 -6.749 1.00 0.13 H new ATOM 0 HB2 ASN A 105 -7.304 2.679 -8.485 1.00 0.16 H new ATOM 0 HB3 ASN A 105 -7.920 1.404 -7.452 1.00 0.16 H new ATOM 0 HD21 ASN A 105 -10.901 1.610 -9.349 1.00 0.34 H new ATOM 0 HD22 ASN A 105 -9.447 0.682 -8.971 1.00 0.34 H new ATOM 271 N LEU A 106 -8.255 3.214 -4.122 1.00 0.14 N ATOM 272 CA LEU A 106 -8.967 2.825 -2.913 1.00 0.17 C ATOM 273 C LEU A 106 -10.267 3.602 -2.779 1.00 0.22 C ATOM 274 O LEU A 106 -10.342 4.780 -3.134 1.00 0.26 O ATOM 275 CB LEU A 106 -8.092 3.041 -1.680 1.00 0.16 C ATOM 276 CG LEU A 106 -6.992 1.998 -1.497 1.00 0.14 C ATOM 277 CD1 LEU A 106 -5.909 2.513 -0.575 1.00 0.15 C ATOM 278 CD2 LEU A 106 -7.579 0.715 -0.937 1.00 0.16 C ATOM 0 H LEU A 106 -7.458 3.831 -3.965 1.00 0.14 H new ATOM 0 HA LEU A 106 -9.206 1.764 -2.988 1.00 0.17 H new ATOM 0 HB2 LEU A 106 -7.633 4.028 -1.743 1.00 0.16 H new ATOM 0 HB3 LEU A 106 -8.727 3.041 -0.794 1.00 0.16 H new ATOM 0 HG LEU A 106 -6.548 1.796 -2.472 1.00 0.14 H new ATOM 0 HD11 LEU A 106 -5.137 1.752 -0.460 1.00 0.15 H new ATOM 0 HD12 LEU A 106 -5.469 3.416 -0.999 1.00 0.15 H new ATOM 0 HD13 LEU A 106 -6.340 2.743 0.400 1.00 0.15 H new ATOM 0 HD21 LEU A 106 -6.787 -0.023 -0.810 1.00 0.16 H new ATOM 0 HD22 LEU A 106 -8.044 0.918 0.028 1.00 0.16 H new ATOM 0 HD23 LEU A 106 -8.329 0.327 -1.626 1.00 0.16 H new ATOM 290 N ASP A 107 -11.290 2.928 -2.274 1.00 0.27 N ATOM 291 CA ASP A 107 -12.604 3.533 -2.123 1.00 0.32 C ATOM 292 C ASP A 107 -12.615 4.530 -0.970 1.00 0.30 C ATOM 293 O ASP A 107 -11.852 4.397 -0.013 1.00 0.26 O ATOM 294 CB ASP A 107 -13.668 2.455 -1.895 1.00 0.37 C ATOM 295 CG ASP A 107 -15.068 3.031 -1.788 1.00 0.50 C ATOM 296 OD1 ASP A 107 -15.654 3.382 -2.835 1.00 0.62 O ATOM 297 OD2 ASP A 107 -15.591 3.124 -0.660 1.00 0.71 O ATOM 0 H ASP A 107 -11.234 1.959 -1.961 1.00 0.27 H new ATOM 0 HA ASP A 107 -12.836 4.068 -3.044 1.00 0.32 H new ATOM 0 HB2 ASP A 107 -13.636 1.738 -2.716 1.00 0.37 H new ATOM 0 HB3 ASP A 107 -13.434 1.906 -0.983 1.00 0.37 H new ATOM 302 N LYS A 108 -13.479 5.528 -1.087 1.00 0.38 N ATOM 303 CA LYS A 108 -13.638 6.572 -0.076 1.00 0.43 C ATOM 304 C LYS A 108 -13.883 5.996 1.321 1.00 0.36 C ATOM 305 O LYS A 108 -13.481 6.587 2.324 1.00 0.46 O ATOM 306 CB LYS A 108 -14.807 7.488 -0.448 1.00 0.55 C ATOM 307 CG LYS A 108 -16.155 6.776 -0.474 1.00 0.57 C ATOM 308 CD LYS A 108 -17.299 7.752 -0.625 1.00 0.90 C ATOM 309 CE LYS A 108 -18.638 7.033 -0.656 1.00 1.21 C ATOM 310 NZ LYS A 108 -19.773 7.980 -0.776 1.00 2.20 N ATOM 0 H LYS A 108 -14.096 5.640 -1.892 1.00 0.38 H new ATOM 0 HA LYS A 108 -12.705 7.135 -0.051 1.00 0.43 H new ATOM 0 HB2 LYS A 108 -14.854 8.311 0.265 1.00 0.55 H new ATOM 0 HB3 LYS A 108 -14.617 7.925 -1.428 1.00 0.55 H new ATOM 0 HG2 LYS A 108 -16.174 6.063 -1.298 1.00 0.57 H new ATOM 0 HG3 LYS A 108 -16.283 6.205 0.445 1.00 0.57 H new ATOM 0 HD2 LYS A 108 -17.285 8.463 0.201 1.00 0.90 H new ATOM 0 HD3 LYS A 108 -17.171 8.327 -1.542 1.00 0.90 H new ATOM 0 HE2 LYS A 108 -18.656 6.337 -1.494 1.00 1.21 H new ATOM 0 HE3 LYS A 108 -18.753 6.442 0.252 1.00 1.21 H new ATOM 0 HZ1 LYS A 108 -20.667 7.450 -0.794 1.00 2.20 H new ATOM 0 HZ2 LYS A 108 -19.771 8.629 0.037 1.00 2.20 H new ATOM 0 HZ3 LYS A 108 -19.677 8.527 -1.655 1.00 2.20 H new ATOM 324 N SER A 109 -14.559 4.857 1.383 1.00 0.31 N ATOM 325 CA SER A 109 -14.936 4.257 2.655 1.00 0.40 C ATOM 326 C SER A 109 -13.777 3.485 3.291 1.00 0.34 C ATOM 327 O SER A 109 -13.877 3.039 4.434 1.00 0.43 O ATOM 328 CB SER A 109 -16.130 3.328 2.447 1.00 0.56 C ATOM 329 OG SER A 109 -17.084 3.918 1.579 1.00 1.41 O ATOM 0 H SER A 109 -14.858 4.328 0.564 1.00 0.31 H new ATOM 0 HA SER A 109 -15.205 5.062 3.338 1.00 0.40 H new ATOM 0 HB2 SER A 109 -15.790 2.380 2.030 1.00 0.56 H new ATOM 0 HB3 SER A 109 -16.595 3.106 3.408 1.00 0.56 H new ATOM 0 HG SER A 109 -16.804 3.789 0.649 1.00 1.41 H new ATOM 335 N ILE A 110 -12.676 3.334 2.561 1.00 0.23 N ATOM 336 CA ILE A 110 -11.528 2.597 3.068 1.00 0.20 C ATOM 337 C ILE A 110 -10.751 3.430 4.086 1.00 0.20 C ATOM 338 O ILE A 110 -10.393 4.583 3.826 1.00 0.26 O ATOM 339 CB ILE A 110 -10.595 2.140 1.919 1.00 0.20 C ATOM 340 CG1 ILE A 110 -11.304 1.091 1.055 1.00 0.21 C ATOM 341 CG2 ILE A 110 -9.281 1.584 2.462 1.00 0.22 C ATOM 342 CD1 ILE A 110 -11.549 -0.221 1.773 1.00 0.23 C ATOM 0 H ILE A 110 -12.557 3.711 1.621 1.00 0.23 H new ATOM 0 HA ILE A 110 -11.908 1.706 3.567 1.00 0.20 H new ATOM 0 HB ILE A 110 -10.360 3.008 1.304 1.00 0.20 H new ATOM 0 HG12 ILE A 110 -12.259 1.495 0.718 1.00 0.21 H new ATOM 0 HG13 ILE A 110 -10.706 0.902 0.164 1.00 0.21 H new ATOM 0 HG21 ILE A 110 -8.647 1.272 1.632 1.00 0.22 H new ATOM 0 HG22 ILE A 110 -8.770 2.355 3.038 1.00 0.22 H new ATOM 0 HG23 ILE A 110 -9.486 0.727 3.104 1.00 0.22 H new ATOM 0 HD11 ILE A 110 -12.054 -0.915 1.101 1.00 0.23 H new ATOM 0 HD12 ILE A 110 -10.596 -0.648 2.086 1.00 0.23 H new ATOM 0 HD13 ILE A 110 -12.173 -0.045 2.649 1.00 0.23 H new ATOM 354 N ASP A 111 -10.525 2.842 5.252 1.00 0.17 N ATOM 355 CA ASP A 111 -9.773 3.489 6.319 1.00 0.18 C ATOM 356 C ASP A 111 -8.495 2.701 6.574 1.00 0.14 C ATOM 357 O ASP A 111 -8.258 1.679 5.927 1.00 0.13 O ATOM 358 CB ASP A 111 -10.617 3.549 7.597 1.00 0.23 C ATOM 359 CG ASP A 111 -10.036 4.470 8.653 1.00 1.01 C ATOM 360 OD1 ASP A 111 -10.170 5.703 8.516 1.00 1.23 O ATOM 361 OD2 ASP A 111 -9.426 3.961 9.620 1.00 1.59 O ATOM 0 H ASP A 111 -10.856 1.906 5.485 1.00 0.17 H new ATOM 0 HA ASP A 111 -9.522 4.507 6.022 1.00 0.18 H new ATOM 0 HB2 ASP A 111 -11.623 3.884 7.345 1.00 0.23 H new ATOM 0 HB3 ASP A 111 -10.710 2.545 8.011 1.00 0.23 H new ATOM 366 N ASN A 112 -7.695 3.146 7.531 1.00 0.15 N ATOM 367 CA ASN A 112 -6.431 2.486 7.834 1.00 0.13 C ATOM 368 C ASN A 112 -6.702 1.101 8.377 1.00 0.11 C ATOM 369 O ASN A 112 -5.985 0.149 8.077 1.00 0.12 O ATOM 370 CB ASN A 112 -5.611 3.286 8.850 1.00 0.16 C ATOM 371 CG ASN A 112 -5.143 4.622 8.303 1.00 0.19 C ATOM 372 OD1 ASN A 112 -4.954 4.781 7.102 1.00 0.60 O ATOM 373 ND2 ASN A 112 -4.941 5.593 9.178 1.00 0.55 N ATOM 0 H ASN A 112 -7.897 3.960 8.111 1.00 0.15 H new ATOM 0 HA ASN A 112 -5.853 2.419 6.912 1.00 0.13 H new ATOM 0 HB2 ASN A 112 -6.212 3.454 9.744 1.00 0.16 H new ATOM 0 HB3 ASN A 112 -4.744 2.699 9.154 1.00 0.16 H new ATOM 0 HD21 ASN A 112 -4.618 6.507 8.860 1.00 0.55 H new ATOM 0 HD22 ASN A 112 -5.108 5.428 10.171 1.00 0.55 H new ATOM 380 N LYS A 113 -7.774 0.993 9.152 1.00 0.12 N ATOM 381 CA LYS A 113 -8.195 -0.257 9.714 1.00 0.12 C ATOM 382 C LYS A 113 -8.518 -1.236 8.611 1.00 0.11 C ATOM 383 O LYS A 113 -8.074 -2.372 8.608 1.00 0.11 O ATOM 384 CB LYS A 113 -9.459 -0.027 10.503 1.00 0.15 C ATOM 385 CG LYS A 113 -9.471 -0.633 11.893 1.00 0.28 C ATOM 386 CD LYS A 113 -9.165 -2.118 11.875 1.00 0.54 C ATOM 387 CE LYS A 113 -7.672 -2.394 11.779 1.00 1.63 C ATOM 388 NZ LYS A 113 -6.944 -1.967 13.005 1.00 2.58 N ATOM 0 H LYS A 113 -8.370 1.782 9.402 1.00 0.12 H new ATOM 0 HA LYS A 113 -7.398 -0.652 10.344 1.00 0.12 H new ATOM 0 HB2 LYS A 113 -9.623 1.047 10.591 1.00 0.15 H new ATOM 0 HB3 LYS A 113 -10.299 -0.433 9.940 1.00 0.15 H new ATOM 0 HG2 LYS A 113 -8.738 -0.121 12.517 1.00 0.28 H new ATOM 0 HG3 LYS A 113 -10.447 -0.471 12.349 1.00 0.28 H new ATOM 0 HD2 LYS A 113 -9.561 -2.580 12.779 1.00 0.54 H new ATOM 0 HD3 LYS A 113 -9.674 -2.582 11.030 1.00 0.54 H new ATOM 0 HE2 LYS A 113 -7.511 -3.459 11.615 1.00 1.63 H new ATOM 0 HE3 LYS A 113 -7.262 -1.872 10.914 1.00 1.63 H new ATOM 0 HZ1 LYS A 113 -6.022 -2.446 13.046 1.00 2.58 H new ATOM 0 HZ2 LYS A 113 -6.799 -0.937 12.982 1.00 2.58 H new ATOM 0 HZ3 LYS A 113 -7.502 -2.219 13.846 1.00 2.58 H new ATOM 402 N ALA A 114 -9.315 -0.751 7.691 1.00 0.11 N ATOM 403 CA ALA A 114 -9.796 -1.535 6.565 1.00 0.12 C ATOM 404 C ALA A 114 -8.646 -2.013 5.693 1.00 0.11 C ATOM 405 O ALA A 114 -8.608 -3.170 5.270 1.00 0.13 O ATOM 406 CB ALA A 114 -10.766 -0.699 5.751 1.00 0.15 C ATOM 0 H ALA A 114 -9.656 0.210 7.697 1.00 0.11 H new ATOM 0 HA ALA A 114 -10.306 -2.419 6.947 1.00 0.12 H new ATOM 0 HB1 ALA A 114 -11.129 -1.283 4.905 1.00 0.15 H new ATOM 0 HB2 ALA A 114 -11.608 -0.406 6.378 1.00 0.15 H new ATOM 0 HB3 ALA A 114 -10.258 0.193 5.384 1.00 0.15 H new ATOM 412 N LEU A 115 -7.705 -1.119 5.433 1.00 0.09 N ATOM 413 CA LEU A 115 -6.527 -1.459 4.657 1.00 0.09 C ATOM 414 C LEU A 115 -5.705 -2.492 5.428 1.00 0.08 C ATOM 415 O LEU A 115 -5.309 -3.520 4.879 1.00 0.09 O ATOM 416 CB LEU A 115 -5.714 -0.182 4.387 1.00 0.10 C ATOM 417 CG LEU A 115 -4.723 -0.242 3.218 1.00 0.11 C ATOM 418 CD1 LEU A 115 -4.079 1.113 2.996 1.00 0.16 C ATOM 419 CD2 LEU A 115 -3.654 -1.280 3.462 1.00 0.11 C ATOM 0 H LEU A 115 -7.736 -0.150 5.750 1.00 0.09 H new ATOM 0 HA LEU A 115 -6.810 -1.891 3.697 1.00 0.09 H new ATOM 0 HB2 LEU A 115 -6.411 0.635 4.203 1.00 0.10 H new ATOM 0 HB3 LEU A 115 -5.161 0.069 5.292 1.00 0.10 H new ATOM 0 HG LEU A 115 -5.282 -0.523 2.325 1.00 0.11 H new ATOM 0 HD11 LEU A 115 -3.379 1.051 2.163 1.00 0.16 H new ATOM 0 HD12 LEU A 115 -4.850 1.849 2.768 1.00 0.16 H new ATOM 0 HD13 LEU A 115 -3.545 1.414 3.897 1.00 0.16 H new ATOM 0 HD21 LEU A 115 -2.966 -1.300 2.617 1.00 0.11 H new ATOM 0 HD22 LEU A 115 -3.105 -1.031 4.370 1.00 0.11 H new ATOM 0 HD23 LEU A 115 -4.118 -2.260 3.575 1.00 0.11 H new ATOM 431 N TYR A 116 -5.493 -2.230 6.713 1.00 0.08 N ATOM 432 CA TYR A 116 -4.792 -3.163 7.579 1.00 0.09 C ATOM 433 C TYR A 116 -5.497 -4.507 7.620 1.00 0.10 C ATOM 434 O TYR A 116 -4.869 -5.541 7.429 1.00 0.11 O ATOM 435 CB TYR A 116 -4.675 -2.601 9.004 1.00 0.10 C ATOM 436 CG TYR A 116 -4.145 -3.609 10.003 1.00 0.13 C ATOM 437 CD1 TYR A 116 -2.778 -3.761 10.217 1.00 0.19 C ATOM 438 CD2 TYR A 116 -5.014 -4.383 10.752 1.00 0.18 C ATOM 439 CE1 TYR A 116 -2.301 -4.660 11.152 1.00 0.24 C ATOM 440 CE2 TYR A 116 -4.544 -5.286 11.688 1.00 0.23 C ATOM 441 CZ TYR A 116 -3.154 -5.497 11.788 1.00 0.23 C ATOM 442 OH TYR A 116 -2.719 -6.317 12.817 1.00 0.30 O ATOM 0 H TYR A 116 -5.799 -1.375 7.177 1.00 0.08 H new ATOM 0 HA TYR A 116 -3.793 -3.304 7.167 1.00 0.09 H new ATOM 0 HB2 TYR A 116 -4.018 -1.732 8.992 1.00 0.10 H new ATOM 0 HB3 TYR A 116 -5.655 -2.255 9.332 1.00 0.10 H new ATOM 0 HD1 TYR A 116 -2.080 -3.168 9.644 1.00 0.19 H new ATOM 0 HD2 TYR A 116 -6.079 -4.280 10.603 1.00 0.18 H new ATOM 0 HE1 TYR A 116 -1.245 -4.695 11.376 1.00 0.24 H new ATOM 0 HE2 TYR A 116 -5.229 -5.819 12.330 1.00 0.23 H new ATOM 0 HH TYR A 116 -3.472 -6.847 13.153 1.00 0.30 H new ATOM 452 N ASP A 117 -6.803 -4.482 7.845 1.00 0.10 N ATOM 453 CA ASP A 117 -7.576 -5.705 8.020 1.00 0.12 C ATOM 454 C ASP A 117 -7.438 -6.612 6.809 1.00 0.12 C ATOM 455 O ASP A 117 -7.362 -7.830 6.940 1.00 0.15 O ATOM 456 CB ASP A 117 -9.052 -5.367 8.236 1.00 0.16 C ATOM 457 CG ASP A 117 -9.869 -6.573 8.652 1.00 0.27 C ATOM 458 OD1 ASP A 117 -9.885 -6.904 9.856 1.00 0.36 O ATOM 459 OD2 ASP A 117 -10.486 -7.210 7.773 1.00 0.40 O ATOM 0 H ASP A 117 -7.352 -3.625 7.911 1.00 0.10 H new ATOM 0 HA ASP A 117 -7.188 -6.227 8.895 1.00 0.12 H new ATOM 0 HB2 ASP A 117 -9.136 -4.594 9.000 1.00 0.16 H new ATOM 0 HB3 ASP A 117 -9.465 -4.952 7.316 1.00 0.16 H new ATOM 464 N THR A 118 -7.391 -6.009 5.635 1.00 0.11 N ATOM 465 CA THR A 118 -7.298 -6.768 4.404 1.00 0.11 C ATOM 466 C THR A 118 -5.868 -7.270 4.149 1.00 0.10 C ATOM 467 O THR A 118 -5.646 -8.468 3.969 1.00 0.12 O ATOM 468 CB THR A 118 -7.770 -5.911 3.216 1.00 0.13 C ATOM 469 OG1 THR A 118 -8.980 -5.224 3.569 1.00 0.22 O ATOM 470 CG2 THR A 118 -8.019 -6.779 1.992 1.00 0.17 C ATOM 0 H THR A 118 -7.416 -4.997 5.509 1.00 0.11 H new ATOM 0 HA THR A 118 -7.945 -7.639 4.506 1.00 0.11 H new ATOM 0 HB THR A 118 -6.990 -5.188 2.978 1.00 0.13 H new ATOM 0 HG1 THR A 118 -8.759 -4.387 4.028 1.00 0.22 H new ATOM 0 HG21 THR A 118 -8.352 -6.153 1.164 1.00 0.17 H new ATOM 0 HG22 THR A 118 -7.097 -7.289 1.714 1.00 0.17 H new ATOM 0 HG23 THR A 118 -8.787 -7.518 2.220 1.00 0.17 H new ATOM 478 N PHE A 119 -4.899 -6.356 4.161 1.00 0.08 N ATOM 479 CA PHE A 119 -3.516 -6.692 3.812 1.00 0.08 C ATOM 480 C PHE A 119 -2.829 -7.530 4.897 1.00 0.08 C ATOM 481 O PHE A 119 -1.927 -8.311 4.604 1.00 0.09 O ATOM 482 CB PHE A 119 -2.706 -5.433 3.476 1.00 0.08 C ATOM 483 CG PHE A 119 -3.111 -4.788 2.169 1.00 0.08 C ATOM 484 CD1 PHE A 119 -4.352 -4.171 2.019 1.00 0.10 C ATOM 485 CD2 PHE A 119 -2.251 -4.804 1.085 1.00 0.08 C ATOM 486 CE1 PHE A 119 -4.712 -3.593 0.820 1.00 0.11 C ATOM 487 CE2 PHE A 119 -2.608 -4.225 -0.115 1.00 0.10 C ATOM 488 CZ PHE A 119 -3.875 -3.583 -0.219 1.00 0.09 C ATOM 0 H PHE A 119 -5.044 -5.377 4.408 1.00 0.08 H new ATOM 0 HA PHE A 119 -3.556 -7.312 2.917 1.00 0.08 H new ATOM 0 HB2 PHE A 119 -2.824 -4.709 4.282 1.00 0.08 H new ATOM 0 HB3 PHE A 119 -1.648 -5.692 3.432 1.00 0.08 H new ATOM 0 HD1 PHE A 119 -5.039 -4.145 2.852 1.00 0.10 H new ATOM 0 HD2 PHE A 119 -1.285 -5.277 1.180 1.00 0.08 H new ATOM 0 HE1 PHE A 119 -5.688 -3.141 0.720 1.00 0.11 H new ATOM 0 HE2 PHE A 119 -1.938 -4.258 -0.961 1.00 0.10 H new ATOM 0 HZ PHE A 119 -4.158 -3.089 -1.137 1.00 0.09 H new ATOM 498 N SER A 120 -3.253 -7.366 6.148 1.00 0.09 N ATOM 499 CA SER A 120 -2.634 -8.066 7.275 1.00 0.09 C ATOM 500 C SER A 120 -2.685 -9.584 7.089 1.00 0.08 C ATOM 501 O SER A 120 -1.852 -10.309 7.633 1.00 0.09 O ATOM 502 CB SER A 120 -3.275 -7.666 8.608 1.00 0.13 C ATOM 503 OG SER A 120 -2.540 -8.195 9.700 1.00 0.19 O ATOM 0 H SER A 120 -4.025 -6.753 6.409 1.00 0.09 H new ATOM 0 HA SER A 120 -1.587 -7.763 7.301 1.00 0.09 H new ATOM 0 HB2 SER A 120 -3.317 -6.580 8.685 1.00 0.13 H new ATOM 0 HB3 SER A 120 -4.302 -8.028 8.646 1.00 0.13 H new ATOM 0 HG SER A 120 -2.559 -7.560 10.446 1.00 0.19 H new ATOM 509 N ALA A 121 -3.680 -10.063 6.353 1.00 0.09 N ATOM 510 CA ALA A 121 -3.803 -11.489 6.054 1.00 0.11 C ATOM 511 C ALA A 121 -2.543 -12.037 5.368 1.00 0.11 C ATOM 512 O ALA A 121 -2.284 -13.241 5.395 1.00 0.13 O ATOM 513 CB ALA A 121 -5.022 -11.735 5.176 1.00 0.14 C ATOM 0 H ALA A 121 -4.417 -9.485 5.950 1.00 0.09 H new ATOM 0 HA ALA A 121 -3.923 -12.017 7.000 1.00 0.11 H new ATOM 0 HB1 ALA A 121 -5.105 -12.800 4.959 1.00 0.14 H new ATOM 0 HB2 ALA A 121 -5.919 -11.400 5.697 1.00 0.14 H new ATOM 0 HB3 ALA A 121 -4.916 -11.182 4.243 1.00 0.14 H new ATOM 519 N PHE A 122 -1.765 -11.152 4.753 1.00 0.08 N ATOM 520 CA PHE A 122 -0.547 -11.552 4.047 1.00 0.09 C ATOM 521 C PHE A 122 0.669 -11.455 4.961 1.00 0.10 C ATOM 522 O PHE A 122 1.758 -11.921 4.620 1.00 0.18 O ATOM 523 CB PHE A 122 -0.351 -10.668 2.817 1.00 0.09 C ATOM 524 CG PHE A 122 -1.587 -10.584 1.979 1.00 0.09 C ATOM 525 CD1 PHE A 122 -2.094 -11.712 1.368 1.00 0.13 C ATOM 526 CD2 PHE A 122 -2.255 -9.385 1.829 1.00 0.10 C ATOM 527 CE1 PHE A 122 -3.251 -11.645 0.621 1.00 0.16 C ATOM 528 CE2 PHE A 122 -3.407 -9.309 1.081 1.00 0.12 C ATOM 529 CZ PHE A 122 -3.908 -10.442 0.475 1.00 0.13 C ATOM 0 H PHE A 122 -1.955 -10.150 4.728 1.00 0.08 H new ATOM 0 HA PHE A 122 -0.653 -12.590 3.733 1.00 0.09 H new ATOM 0 HB2 PHE A 122 -0.060 -9.666 3.134 1.00 0.09 H new ATOM 0 HB3 PHE A 122 0.468 -11.062 2.215 1.00 0.09 H new ATOM 0 HD1 PHE A 122 -1.580 -12.656 1.476 1.00 0.13 H new ATOM 0 HD2 PHE A 122 -1.868 -8.496 2.305 1.00 0.10 H new ATOM 0 HE1 PHE A 122 -3.642 -12.535 0.150 1.00 0.16 H new ATOM 0 HE2 PHE A 122 -3.918 -8.364 0.969 1.00 0.12 H new ATOM 0 HZ PHE A 122 -4.813 -10.387 -0.112 1.00 0.13 H new ATOM 539 N GLY A 123 0.468 -10.854 6.124 1.00 0.09 N ATOM 540 CA GLY A 123 1.543 -10.676 7.075 1.00 0.10 C ATOM 541 C GLY A 123 1.261 -9.537 8.030 1.00 0.09 C ATOM 542 O GLY A 123 0.400 -8.696 7.762 1.00 0.11 O ATOM 0 H GLY A 123 -0.432 -10.483 6.428 1.00 0.09 H new ATOM 0 HA2 GLY A 123 1.686 -11.597 7.639 1.00 0.10 H new ATOM 0 HA3 GLY A 123 2.473 -10.482 6.541 1.00 0.10 H new ATOM 546 N ASN A 124 1.962 -9.517 9.153 1.00 0.13 N ATOM 547 CA ASN A 124 1.809 -8.446 10.131 1.00 0.14 C ATOM 548 C ASN A 124 2.182 -7.108 9.513 1.00 0.11 C ATOM 549 O ASN A 124 3.212 -6.975 8.852 1.00 0.14 O ATOM 550 CB ASN A 124 2.678 -8.712 11.363 1.00 0.18 C ATOM 551 CG ASN A 124 2.578 -7.603 12.398 1.00 0.21 C ATOM 552 OD1 ASN A 124 1.529 -6.977 12.559 1.00 0.24 O ATOM 553 ND2 ASN A 124 3.668 -7.352 13.104 1.00 0.25 N ATOM 0 H ASN A 124 2.644 -10.230 9.412 1.00 0.13 H new ATOM 0 HA ASN A 124 0.764 -8.414 10.441 1.00 0.14 H new ATOM 0 HB2 ASN A 124 2.379 -9.656 11.817 1.00 0.18 H new ATOM 0 HB3 ASN A 124 3.717 -8.823 11.053 1.00 0.18 H new ATOM 0 HD21 ASN A 124 3.659 -6.618 13.812 1.00 0.25 H new ATOM 0 HD22 ASN A 124 4.517 -7.893 12.941 1.00 0.25 H new ATOM 560 N ILE A 125 1.327 -6.129 9.717 1.00 0.11 N ATOM 561 CA ILE A 125 1.564 -4.794 9.218 1.00 0.10 C ATOM 562 C ILE A 125 2.078 -3.908 10.345 1.00 0.11 C ATOM 563 O ILE A 125 1.551 -3.932 11.456 1.00 0.14 O ATOM 564 CB ILE A 125 0.278 -4.197 8.616 1.00 0.11 C ATOM 565 CG1 ILE A 125 -0.155 -5.004 7.389 1.00 0.10 C ATOM 566 CG2 ILE A 125 0.467 -2.732 8.251 1.00 0.14 C ATOM 567 CD1 ILE A 125 -1.451 -4.523 6.774 1.00 0.11 C ATOM 0 H ILE A 125 0.453 -6.236 10.231 1.00 0.11 H new ATOM 0 HA ILE A 125 2.315 -4.845 8.430 1.00 0.10 H new ATOM 0 HB ILE A 125 -0.507 -4.253 9.371 1.00 0.11 H new ATOM 0 HG12 ILE A 125 0.633 -4.958 6.638 1.00 0.10 H new ATOM 0 HG13 ILE A 125 -0.264 -6.051 7.673 1.00 0.10 H new ATOM 0 HG21 ILE A 125 -0.458 -2.340 7.829 1.00 0.14 H new ATOM 0 HG22 ILE A 125 0.727 -2.165 9.145 1.00 0.14 H new ATOM 0 HG23 ILE A 125 1.268 -2.640 7.517 1.00 0.14 H new ATOM 0 HD11 ILE A 125 -1.695 -5.141 5.910 1.00 0.11 H new ATOM 0 HD12 ILE A 125 -2.252 -4.595 7.510 1.00 0.11 H new ATOM 0 HD13 ILE A 125 -1.341 -3.486 6.458 1.00 0.11 H new ATOM 579 N LEU A 126 3.106 -3.138 10.050 1.00 0.13 N ATOM 580 CA LEU A 126 3.747 -2.295 11.040 1.00 0.15 C ATOM 581 C LEU A 126 3.061 -0.941 11.050 1.00 0.16 C ATOM 582 O LEU A 126 2.841 -0.332 12.097 1.00 0.24 O ATOM 583 CB LEU A 126 5.227 -2.125 10.693 1.00 0.19 C ATOM 584 CG LEU A 126 5.977 -3.422 10.368 1.00 0.21 C ATOM 585 CD1 LEU A 126 7.335 -3.112 9.777 1.00 0.53 C ATOM 586 CD2 LEU A 126 6.095 -4.291 11.607 1.00 0.54 C ATOM 0 H LEU A 126 3.520 -3.079 9.120 1.00 0.13 H new ATOM 0 HA LEU A 126 3.667 -2.755 12.025 1.00 0.15 H new ATOM 0 HB2 LEU A 126 5.308 -1.454 9.838 1.00 0.19 H new ATOM 0 HB3 LEU A 126 5.726 -1.636 11.530 1.00 0.19 H new ATOM 0 HG LEU A 126 5.410 -3.981 9.624 1.00 0.21 H new ATOM 0 HD11 LEU A 126 7.855 -4.043 9.552 1.00 0.53 H new ATOM 0 HD12 LEU A 126 7.210 -2.535 8.861 1.00 0.53 H new ATOM 0 HD13 LEU A 126 7.920 -2.534 10.492 1.00 0.53 H new ATOM 0 HD21 LEU A 126 6.630 -5.208 11.359 1.00 0.54 H new ATOM 0 HD22 LEU A 126 6.641 -3.750 12.380 1.00 0.54 H new ATOM 0 HD23 LEU A 126 5.099 -4.540 11.973 1.00 0.54 H new ATOM 598 N SER A 127 2.719 -0.491 9.855 1.00 0.14 N ATOM 599 CA SER A 127 2.046 0.775 9.661 1.00 0.17 C ATOM 600 C SER A 127 1.280 0.747 8.346 1.00 0.19 C ATOM 601 O SER A 127 1.823 0.359 7.317 1.00 0.37 O ATOM 602 CB SER A 127 3.064 1.918 9.660 1.00 0.19 C ATOM 603 OG SER A 127 3.671 2.059 10.935 1.00 0.76 O ATOM 0 H SER A 127 2.903 -0.999 8.990 1.00 0.14 H new ATOM 0 HA SER A 127 1.344 0.939 10.479 1.00 0.17 H new ATOM 0 HB2 SER A 127 3.830 1.727 8.908 1.00 0.19 H new ATOM 0 HB3 SER A 127 2.570 2.849 9.383 1.00 0.19 H new ATOM 0 HG SER A 127 3.351 1.349 11.530 1.00 0.76 H new ATOM 609 N CYS A 128 0.017 1.111 8.387 1.00 0.18 N ATOM 610 CA CYS A 128 -0.793 1.183 7.187 1.00 0.17 C ATOM 611 C CYS A 128 -1.374 2.577 7.061 1.00 0.16 C ATOM 612 O CYS A 128 -1.594 3.254 8.068 1.00 0.28 O ATOM 613 CB CYS A 128 -1.905 0.135 7.228 1.00 0.21 C ATOM 614 SG CYS A 128 -2.871 0.157 8.756 1.00 0.72 S ATOM 0 H CYS A 128 -0.475 1.364 9.244 1.00 0.18 H new ATOM 0 HA CYS A 128 -0.170 0.975 6.317 1.00 0.17 H new ATOM 0 HB2 CYS A 128 -2.575 0.296 6.383 1.00 0.21 H new ATOM 0 HB3 CYS A 128 -1.465 -0.854 7.102 1.00 0.21 H new ATOM 0 HG CYS A 128 -4.139 0.156 8.468 1.00 0.72 H new ATOM 620 N LYS A 129 -1.593 3.026 5.841 1.00 0.13 N ATOM 621 CA LYS A 129 -2.093 4.366 5.636 1.00 0.14 C ATOM 622 C LYS A 129 -2.967 4.456 4.397 1.00 0.12 C ATOM 623 O LYS A 129 -2.577 4.032 3.313 1.00 0.12 O ATOM 624 CB LYS A 129 -0.923 5.354 5.532 1.00 0.18 C ATOM 625 CG LYS A 129 -1.338 6.806 5.331 1.00 0.23 C ATOM 626 CD LYS A 129 -2.097 7.358 6.528 1.00 0.36 C ATOM 627 CE LYS A 129 -2.340 8.854 6.385 1.00 0.47 C ATOM 628 NZ LYS A 129 -3.140 9.398 7.515 1.00 1.00 N ATOM 0 H LYS A 129 -1.434 2.489 4.988 1.00 0.13 H new ATOM 0 HA LYS A 129 -2.711 4.626 6.496 1.00 0.14 H new ATOM 0 HB2 LYS A 129 -0.323 5.283 6.439 1.00 0.18 H new ATOM 0 HB3 LYS A 129 -0.283 5.054 4.702 1.00 0.18 H new ATOM 0 HG2 LYS A 129 -0.451 7.414 5.153 1.00 0.23 H new ATOM 0 HG3 LYS A 129 -1.961 6.884 4.440 1.00 0.23 H new ATOM 0 HD2 LYS A 129 -3.051 6.840 6.627 1.00 0.36 H new ATOM 0 HD3 LYS A 129 -1.533 7.164 7.440 1.00 0.36 H new ATOM 0 HE2 LYS A 129 -1.383 9.374 6.335 1.00 0.47 H new ATOM 0 HE3 LYS A 129 -2.859 9.049 5.446 1.00 0.47 H new ATOM 0 HZ1 LYS A 129 -3.283 10.419 7.379 1.00 1.00 H new ATOM 0 HZ2 LYS A 129 -4.063 8.921 7.548 1.00 1.00 H new ATOM 0 HZ3 LYS A 129 -2.634 9.235 8.409 1.00 1.00 H new ATOM 642 N VAL A 130 -4.151 5.003 4.589 1.00 0.15 N ATOM 643 CA VAL A 130 -5.035 5.367 3.509 1.00 0.17 C ATOM 644 C VAL A 130 -5.087 6.868 3.498 1.00 0.20 C ATOM 645 O VAL A 130 -5.628 7.490 4.418 1.00 0.24 O ATOM 646 CB VAL A 130 -6.477 4.833 3.676 1.00 0.21 C ATOM 647 CG1 VAL A 130 -7.332 5.226 2.475 1.00 0.28 C ATOM 648 CG2 VAL A 130 -6.487 3.327 3.866 1.00 0.21 C ATOM 0 H VAL A 130 -4.528 5.208 5.514 1.00 0.15 H new ATOM 0 HA VAL A 130 -4.651 4.931 2.587 1.00 0.17 H new ATOM 0 HB VAL A 130 -6.902 5.286 4.572 1.00 0.21 H new ATOM 0 HG11 VAL A 130 -8.344 4.843 2.608 1.00 0.28 H new ATOM 0 HG12 VAL A 130 -7.364 6.312 2.391 1.00 0.28 H new ATOM 0 HG13 VAL A 130 -6.900 4.804 1.567 1.00 0.28 H new ATOM 0 HG21 VAL A 130 -7.514 2.982 3.981 1.00 0.21 H new ATOM 0 HG22 VAL A 130 -6.038 2.848 2.996 1.00 0.21 H new ATOM 0 HG23 VAL A 130 -5.916 3.069 4.758 1.00 0.21 H new ATOM 658 N VAL A 131 -4.497 7.449 2.497 1.00 0.21 N ATOM 659 CA VAL A 131 -4.385 8.878 2.432 1.00 0.27 C ATOM 660 C VAL A 131 -5.739 9.456 2.072 1.00 0.33 C ATOM 661 O VAL A 131 -6.285 9.177 1.005 1.00 0.33 O ATOM 662 CB VAL A 131 -3.293 9.253 1.427 1.00 0.28 C ATOM 663 CG1 VAL A 131 -2.952 10.732 1.506 1.00 0.34 C ATOM 664 CG2 VAL A 131 -2.070 8.394 1.713 1.00 0.25 C ATOM 0 H VAL A 131 -4.083 6.953 1.708 1.00 0.21 H new ATOM 0 HA VAL A 131 -4.092 9.297 3.395 1.00 0.27 H new ATOM 0 HB VAL A 131 -3.649 9.068 0.413 1.00 0.28 H new ATOM 0 HG11 VAL A 131 -2.173 10.965 0.780 1.00 0.34 H new ATOM 0 HG12 VAL A 131 -3.841 11.323 1.287 1.00 0.34 H new ATOM 0 HG13 VAL A 131 -2.596 10.970 2.508 1.00 0.34 H new ATOM 0 HG21 VAL A 131 -1.277 8.644 1.008 1.00 0.25 H new ATOM 0 HG22 VAL A 131 -1.724 8.581 2.730 1.00 0.25 H new ATOM 0 HG23 VAL A 131 -2.332 7.341 1.606 1.00 0.25 H new ATOM 766 N GLY A 139 -7.329 8.193 -2.808 1.00 0.27 N ATOM 767 CA GLY A 139 -7.279 7.118 -3.771 1.00 0.26 C ATOM 768 C GLY A 139 -6.135 6.157 -3.538 1.00 0.21 C ATOM 769 O GLY A 139 -6.190 5.013 -3.973 1.00 0.31 O ATOM 0 HA2 GLY A 139 -8.219 6.567 -3.739 1.00 0.26 H new ATOM 0 HA3 GLY A 139 -7.191 7.540 -4.772 1.00 0.26 H new ATOM 773 N TYR A 140 -5.104 6.597 -2.843 1.00 0.19 N ATOM 774 CA TYR A 140 -3.909 5.782 -2.703 1.00 0.15 C ATOM 775 C TYR A 140 -3.526 5.586 -1.243 1.00 0.13 C ATOM 776 O TYR A 140 -3.846 6.409 -0.382 1.00 0.16 O ATOM 777 CB TYR A 140 -2.743 6.376 -3.507 1.00 0.19 C ATOM 778 CG TYR A 140 -2.421 7.824 -3.207 1.00 0.23 C ATOM 779 CD1 TYR A 140 -3.166 8.851 -3.774 1.00 0.26 C ATOM 780 CD2 TYR A 140 -1.395 8.162 -2.331 1.00 0.31 C ATOM 781 CE1 TYR A 140 -2.892 10.173 -3.484 1.00 0.34 C ATOM 782 CE2 TYR A 140 -1.121 9.484 -2.032 1.00 0.39 C ATOM 783 CZ TYR A 140 -1.789 10.485 -2.700 1.00 0.41 C ATOM 784 OH TYR A 140 -1.609 11.803 -2.312 1.00 0.49 O ATOM 0 H TYR A 140 -5.067 7.501 -2.372 1.00 0.19 H new ATOM 0 HA TYR A 140 -4.136 4.797 -3.111 1.00 0.15 H new ATOM 0 HB2 TYR A 140 -1.852 5.777 -3.320 1.00 0.19 H new ATOM 0 HB3 TYR A 140 -2.972 6.284 -4.569 1.00 0.19 H new ATOM 0 HD1 TYR A 140 -3.972 8.611 -4.452 1.00 0.26 H new ATOM 0 HD2 TYR A 140 -0.804 7.380 -1.878 1.00 0.31 H new ATOM 0 HE1 TYR A 140 -3.530 10.957 -3.864 1.00 0.34 H new ATOM 0 HE2 TYR A 140 -0.387 9.730 -1.279 1.00 0.39 H new ATOM 0 HH TYR A 140 -0.798 11.876 -1.766 1.00 0.49 H new ATOM 794 N GLY A 141 -2.855 4.476 -0.977 1.00 0.11 N ATOM 795 CA GLY A 141 -2.446 4.144 0.369 1.00 0.11 C ATOM 796 C GLY A 141 -1.128 3.403 0.384 1.00 0.10 C ATOM 797 O GLY A 141 -0.596 3.070 -0.674 1.00 0.12 O ATOM 0 H GLY A 141 -2.584 3.791 -1.682 1.00 0.11 H new ATOM 0 HA2 GLY A 141 -2.358 5.057 0.958 1.00 0.11 H new ATOM 0 HA3 GLY A 141 -3.214 3.532 0.842 1.00 0.11 H new ATOM 801 N PHE A 142 -0.598 3.142 1.573 1.00 0.10 N ATOM 802 CA PHE A 142 0.708 2.500 1.707 1.00 0.10 C ATOM 803 C PHE A 142 0.699 1.479 2.847 1.00 0.10 C ATOM 804 O PHE A 142 0.153 1.745 3.920 1.00 0.14 O ATOM 805 CB PHE A 142 1.793 3.551 1.985 1.00 0.12 C ATOM 806 CG PHE A 142 1.764 4.740 1.057 1.00 0.14 C ATOM 807 CD1 PHE A 142 2.213 4.632 -0.254 1.00 0.16 C ATOM 808 CD2 PHE A 142 1.280 5.962 1.494 1.00 0.21 C ATOM 809 CE1 PHE A 142 2.180 5.722 -1.104 1.00 0.19 C ATOM 810 CE2 PHE A 142 1.245 7.054 0.646 1.00 0.25 C ATOM 811 CZ PHE A 142 1.723 6.933 -0.654 1.00 0.22 C ATOM 0 H PHE A 142 -1.051 3.364 2.459 1.00 0.10 H new ATOM 0 HA PHE A 142 0.925 1.987 0.770 1.00 0.10 H new ATOM 0 HB2 PHE A 142 1.685 3.904 3.011 1.00 0.12 H new ATOM 0 HB3 PHE A 142 2.770 3.074 1.913 1.00 0.12 H new ATOM 0 HD1 PHE A 142 2.592 3.686 -0.613 1.00 0.16 H new ATOM 0 HD2 PHE A 142 0.926 6.063 2.509 1.00 0.21 H new ATOM 0 HE1 PHE A 142 2.515 5.619 -2.125 1.00 0.19 H new ATOM 0 HE2 PHE A 142 0.848 7.997 0.992 1.00 0.25 H new ATOM 0 HZ PHE A 142 1.734 7.792 -1.308 1.00 0.22 H new ATOM 821 N VAL A 143 1.296 0.310 2.614 1.00 0.08 N ATOM 822 CA VAL A 143 1.451 -0.690 3.671 1.00 0.08 C ATOM 823 C VAL A 143 2.911 -0.848 4.065 1.00 0.08 C ATOM 824 O VAL A 143 3.795 -0.917 3.211 1.00 0.09 O ATOM 825 CB VAL A 143 0.933 -2.086 3.253 1.00 0.08 C ATOM 826 CG1 VAL A 143 1.041 -3.087 4.405 1.00 0.07 C ATOM 827 CG2 VAL A 143 -0.496 -2.005 2.764 1.00 0.10 C ATOM 0 H VAL A 143 1.678 0.033 1.710 1.00 0.08 H new ATOM 0 HA VAL A 143 0.858 -0.321 4.508 1.00 0.08 H new ATOM 0 HB VAL A 143 1.562 -2.438 2.436 1.00 0.08 H new ATOM 0 HG11 VAL A 143 0.669 -4.058 4.079 1.00 0.07 H new ATOM 0 HG12 VAL A 143 2.084 -3.181 4.709 1.00 0.07 H new ATOM 0 HG13 VAL A 143 0.447 -2.736 5.249 1.00 0.07 H new ATOM 0 HG21 VAL A 143 -0.839 -2.999 2.476 1.00 0.10 H new ATOM 0 HG22 VAL A 143 -1.132 -1.619 3.561 1.00 0.10 H new ATOM 0 HG23 VAL A 143 -0.549 -1.339 1.903 1.00 0.10 H new ATOM 837 N HIS A 144 3.153 -0.878 5.360 1.00 0.09 N ATOM 838 CA HIS A 144 4.424 -1.326 5.885 1.00 0.10 C ATOM 839 C HIS A 144 4.274 -2.733 6.413 1.00 0.10 C ATOM 840 O HIS A 144 3.653 -2.940 7.452 1.00 0.11 O ATOM 841 CB HIS A 144 4.900 -0.432 7.022 1.00 0.12 C ATOM 842 CG HIS A 144 5.797 0.659 6.576 1.00 0.14 C ATOM 843 ND1 HIS A 144 6.677 1.296 7.417 1.00 0.18 N ATOM 844 CD2 HIS A 144 5.969 1.207 5.360 1.00 0.17 C ATOM 845 CE1 HIS A 144 7.358 2.190 6.737 1.00 0.21 C ATOM 846 NE2 HIS A 144 6.940 2.169 5.484 1.00 0.21 N ATOM 0 H HIS A 144 2.479 -0.595 6.072 1.00 0.09 H new ATOM 0 HA HIS A 144 5.156 -1.288 5.078 1.00 0.10 H new ATOM 0 HB2 HIS A 144 4.033 0.001 7.521 1.00 0.12 H new ATOM 0 HB3 HIS A 144 5.421 -1.042 7.760 1.00 0.12 H new ATOM 0 HD1 HIS A 144 6.785 1.105 8.413 1.00 0.18 H new ATOM 0 HD2 HIS A 144 5.442 0.940 4.456 1.00 0.17 H new ATOM 0 HE1 HIS A 144 8.129 2.833 7.135 1.00 0.21 H new ATOM 855 N PHE A 145 4.817 -3.696 5.707 1.00 0.10 N ATOM 856 CA PHE A 145 4.780 -5.059 6.183 1.00 0.10 C ATOM 857 C PHE A 145 5.961 -5.343 7.082 1.00 0.13 C ATOM 858 O PHE A 145 7.066 -4.850 6.860 1.00 0.17 O ATOM 859 CB PHE A 145 4.734 -6.056 5.030 1.00 0.10 C ATOM 860 CG PHE A 145 3.343 -6.311 4.534 1.00 0.09 C ATOM 861 CD1 PHE A 145 2.469 -7.102 5.253 1.00 0.10 C ATOM 862 CD2 PHE A 145 2.910 -5.752 3.342 1.00 0.09 C ATOM 863 CE1 PHE A 145 1.187 -7.331 4.795 1.00 0.11 C ATOM 864 CE2 PHE A 145 1.631 -5.977 2.879 1.00 0.10 C ATOM 865 CZ PHE A 145 0.768 -6.801 3.624 1.00 0.10 C ATOM 0 H PHE A 145 5.285 -3.564 4.810 1.00 0.10 H new ATOM 0 HA PHE A 145 3.864 -5.179 6.762 1.00 0.10 H new ATOM 0 HB2 PHE A 145 5.344 -5.682 4.208 1.00 0.10 H new ATOM 0 HB3 PHE A 145 5.177 -6.998 5.353 1.00 0.10 H new ATOM 0 HD1 PHE A 145 2.792 -7.546 6.183 1.00 0.10 H new ATOM 0 HD2 PHE A 145 3.583 -5.132 2.768 1.00 0.09 H new ATOM 0 HE1 PHE A 145 0.512 -7.940 5.378 1.00 0.11 H new ATOM 0 HE2 PHE A 145 1.296 -5.526 1.956 1.00 0.10 H new ATOM 0 HZ PHE A 145 -0.228 -7.010 3.261 1.00 0.10 H new ATOM 875 N GLU A 146 5.690 -6.117 8.112 1.00 0.13 N ATOM 876 CA GLU A 146 6.706 -6.549 9.075 1.00 0.17 C ATOM 877 C GLU A 146 7.903 -7.162 8.366 1.00 0.19 C ATOM 878 O GLU A 146 9.053 -7.007 8.783 1.00 0.22 O ATOM 879 CB GLU A 146 6.086 -7.569 10.032 1.00 0.22 C ATOM 880 CG GLU A 146 7.029 -8.088 11.103 1.00 0.30 C ATOM 881 CD GLU A 146 6.405 -9.200 11.914 1.00 0.37 C ATOM 882 OE1 GLU A 146 6.424 -10.362 11.453 1.00 0.57 O ATOM 883 OE2 GLU A 146 5.916 -8.923 13.029 1.00 0.38 O ATOM 0 H GLU A 146 4.755 -6.472 8.314 1.00 0.13 H new ATOM 0 HA GLU A 146 7.055 -5.680 9.633 1.00 0.17 H new ATOM 0 HB2 GLU A 146 5.222 -7.114 10.517 1.00 0.22 H new ATOM 0 HB3 GLU A 146 5.717 -8.414 9.451 1.00 0.22 H new ATOM 0 HG2 GLU A 146 7.945 -8.450 10.636 1.00 0.30 H new ATOM 0 HG3 GLU A 146 7.311 -7.270 11.766 1.00 0.30 H new ATOM 890 N THR A 147 7.608 -7.839 7.287 1.00 0.22 N ATOM 891 CA THR A 147 8.617 -8.515 6.495 1.00 0.26 C ATOM 892 C THR A 147 8.484 -8.163 5.015 1.00 0.23 C ATOM 893 O THR A 147 7.387 -7.883 4.522 1.00 0.21 O ATOM 894 CB THR A 147 8.532 -10.043 6.672 1.00 0.33 C ATOM 895 OG1 THR A 147 7.192 -10.498 6.435 1.00 0.40 O ATOM 896 CG2 THR A 147 8.967 -10.449 8.068 1.00 0.35 C ATOM 0 H THR A 147 6.659 -7.941 6.927 1.00 0.22 H new ATOM 0 HA THR A 147 9.588 -8.173 6.852 1.00 0.26 H new ATOM 0 HB THR A 147 9.203 -10.504 5.947 1.00 0.33 H new ATOM 0 HG1 THR A 147 7.152 -11.471 6.549 1.00 0.40 H new ATOM 0 HG21 THR A 147 8.899 -11.532 8.170 1.00 0.35 H new ATOM 0 HG22 THR A 147 9.997 -10.133 8.234 1.00 0.35 H new ATOM 0 HG23 THR A 147 8.318 -9.974 8.804 1.00 0.35 H new ATOM 904 N GLN A 148 9.612 -8.179 4.317 1.00 0.24 N ATOM 905 CA GLN A 148 9.661 -7.845 2.900 1.00 0.23 C ATOM 906 C GLN A 148 8.834 -8.834 2.073 1.00 0.21 C ATOM 907 O GLN A 148 8.155 -8.442 1.121 1.00 0.21 O ATOM 908 CB GLN A 148 11.120 -7.844 2.425 1.00 0.28 C ATOM 909 CG GLN A 148 11.330 -7.232 1.049 1.00 0.31 C ATOM 910 CD GLN A 148 10.765 -5.829 0.939 1.00 0.34 C ATOM 911 OE1 GLN A 148 11.437 -4.841 1.229 1.00 0.47 O ATOM 912 NE2 GLN A 148 9.518 -5.738 0.521 1.00 0.38 N ATOM 0 H GLN A 148 10.518 -8.424 4.717 1.00 0.24 H new ATOM 0 HA GLN A 148 9.233 -6.852 2.760 1.00 0.23 H new ATOM 0 HB2 GLN A 148 11.725 -7.298 3.149 1.00 0.28 H new ATOM 0 HB3 GLN A 148 11.487 -8.870 2.413 1.00 0.28 H new ATOM 0 HG2 GLN A 148 12.397 -7.208 0.826 1.00 0.31 H new ATOM 0 HG3 GLN A 148 10.861 -7.868 0.298 1.00 0.31 H new ATOM 0 HE21 GLN A 148 8.995 -6.582 0.290 1.00 0.38 H new ATOM 0 HE22 GLN A 148 9.077 -4.823 0.428 1.00 0.38 H new ATOM 921 N GLU A 149 8.888 -10.108 2.457 1.00 0.22 N ATOM 922 CA GLU A 149 8.182 -11.174 1.737 1.00 0.22 C ATOM 923 C GLU A 149 6.660 -11.015 1.810 1.00 0.18 C ATOM 924 O GLU A 149 5.953 -11.342 0.854 1.00 0.17 O ATOM 925 CB GLU A 149 8.612 -12.563 2.229 1.00 0.28 C ATOM 926 CG GLU A 149 8.475 -12.760 3.721 1.00 0.35 C ATOM 927 CD GLU A 149 8.609 -14.204 4.149 1.00 0.47 C ATOM 928 OE1 GLU A 149 9.614 -14.847 3.792 1.00 0.62 O ATOM 929 OE2 GLU A 149 7.698 -14.707 4.841 1.00 0.74 O ATOM 0 H GLU A 149 9.416 -10.432 3.267 1.00 0.22 H new ATOM 0 HA GLU A 149 8.465 -11.083 0.688 1.00 0.22 H new ATOM 0 HB2 GLU A 149 8.015 -13.318 1.718 1.00 0.28 H new ATOM 0 HB3 GLU A 149 9.651 -12.731 1.945 1.00 0.28 H new ATOM 0 HG2 GLU A 149 9.234 -12.166 4.230 1.00 0.35 H new ATOM 0 HG3 GLU A 149 7.505 -12.382 4.043 1.00 0.35 H new ATOM 936 N ALA A 150 6.154 -10.501 2.926 1.00 0.17 N ATOM 937 CA ALA A 150 4.713 -10.346 3.108 1.00 0.15 C ATOM 938 C ALA A 150 4.169 -9.298 2.147 1.00 0.13 C ATOM 939 O ALA A 150 3.056 -9.420 1.630 1.00 0.13 O ATOM 940 CB ALA A 150 4.403 -9.967 4.547 1.00 0.18 C ATOM 0 H ALA A 150 6.717 -10.185 3.716 1.00 0.17 H new ATOM 0 HA ALA A 150 4.227 -11.297 2.890 1.00 0.15 H new ATOM 0 HB1 ALA A 150 3.326 -9.854 4.670 1.00 0.18 H new ATOM 0 HB2 ALA A 150 4.765 -10.749 5.215 1.00 0.18 H new ATOM 0 HB3 ALA A 150 4.896 -9.026 4.790 1.00 0.18 H new ATOM 946 N ALA A 151 4.983 -8.284 1.894 1.00 0.13 N ATOM 947 CA ALA A 151 4.624 -7.206 0.987 1.00 0.13 C ATOM 948 C ALA A 151 4.461 -7.719 -0.436 1.00 0.12 C ATOM 949 O ALA A 151 3.519 -7.349 -1.135 1.00 0.13 O ATOM 950 CB ALA A 151 5.685 -6.129 1.042 1.00 0.16 C ATOM 0 H ALA A 151 5.909 -8.186 2.311 1.00 0.13 H new ATOM 0 HA ALA A 151 3.667 -6.789 1.300 1.00 0.13 H new ATOM 0 HB1 ALA A 151 5.418 -5.320 0.362 1.00 0.16 H new ATOM 0 HB2 ALA A 151 5.757 -5.741 2.058 1.00 0.16 H new ATOM 0 HB3 ALA A 151 6.646 -6.549 0.745 1.00 0.16 H new ATOM 956 N GLU A 152 5.384 -8.576 -0.851 1.00 0.13 N ATOM 957 CA GLU A 152 5.339 -9.174 -2.176 1.00 0.14 C ATOM 958 C GLU A 152 4.034 -9.944 -2.382 1.00 0.12 C ATOM 959 O GLU A 152 3.430 -9.870 -3.452 1.00 0.15 O ATOM 960 CB GLU A 152 6.536 -10.105 -2.372 1.00 0.18 C ATOM 961 CG GLU A 152 7.858 -9.472 -1.966 1.00 0.26 C ATOM 962 CD GLU A 152 9.055 -10.327 -2.321 1.00 0.75 C ATOM 963 OE1 GLU A 152 9.206 -11.424 -1.747 1.00 1.42 O ATOM 964 OE2 GLU A 152 9.852 -9.899 -3.184 1.00 0.95 O ATOM 0 H GLU A 152 6.178 -8.873 -0.284 1.00 0.13 H new ATOM 0 HA GLU A 152 5.384 -8.374 -2.915 1.00 0.14 H new ATOM 0 HB2 GLU A 152 6.381 -11.013 -1.790 1.00 0.18 H new ATOM 0 HB3 GLU A 152 6.589 -10.403 -3.419 1.00 0.18 H new ATOM 0 HG2 GLU A 152 7.954 -8.501 -2.452 1.00 0.26 H new ATOM 0 HG3 GLU A 152 7.853 -9.291 -0.891 1.00 0.26 H new ATOM 971 N ARG A 153 3.596 -10.663 -1.350 1.00 0.10 N ATOM 972 CA ARG A 153 2.339 -11.402 -1.413 1.00 0.12 C ATOM 973 C ARG A 153 1.159 -10.450 -1.552 1.00 0.11 C ATOM 974 O ARG A 153 0.235 -10.703 -2.322 1.00 0.16 O ATOM 975 CB ARG A 153 2.136 -12.263 -0.170 1.00 0.16 C ATOM 976 CG ARG A 153 3.249 -13.257 0.080 1.00 0.21 C ATOM 977 CD ARG A 153 3.015 -14.028 1.366 1.00 0.26 C ATOM 978 NE ARG A 153 4.158 -14.862 1.710 1.00 0.38 N ATOM 979 CZ ARG A 153 4.872 -14.711 2.820 1.00 0.80 C ATOM 980 NH1 ARG A 153 4.507 -13.812 3.732 1.00 1.48 N ATOM 981 NH2 ARG A 153 5.941 -15.466 3.026 1.00 0.84 N ATOM 0 H ARG A 153 4.092 -10.749 -0.463 1.00 0.10 H new ATOM 0 HA ARG A 153 2.392 -12.050 -2.288 1.00 0.12 H new ATOM 0 HB2 ARG A 153 2.043 -11.612 0.699 1.00 0.16 H new ATOM 0 HB3 ARG A 153 1.195 -12.804 -0.265 1.00 0.16 H new ATOM 0 HG2 ARG A 153 3.315 -13.952 -0.757 1.00 0.21 H new ATOM 0 HG3 ARG A 153 4.203 -12.733 0.135 1.00 0.21 H new ATOM 0 HD2 ARG A 153 2.817 -13.329 2.178 1.00 0.26 H new ATOM 0 HD3 ARG A 153 2.128 -14.652 1.260 1.00 0.26 H new ATOM 0 HE ARG A 153 4.425 -15.603 1.063 1.00 0.38 H new ATOM 0 HH11 ARG A 153 3.678 -13.238 3.579 1.00 1.48 H new ATOM 0 HH12 ARG A 153 5.056 -13.698 4.584 1.00 1.48 H new ATOM 0 HH21 ARG A 153 6.215 -16.162 2.333 1.00 0.84 H new ATOM 0 HH22 ARG A 153 6.490 -15.351 3.878 1.00 0.84 H new ATOM 995 N ALA A 154 1.190 -9.357 -0.798 1.00 0.09 N ATOM 996 CA ALA A 154 0.128 -8.363 -0.864 1.00 0.09 C ATOM 997 C ALA A 154 0.042 -7.763 -2.260 1.00 0.09 C ATOM 998 O ALA A 154 -1.047 -7.555 -2.785 1.00 0.10 O ATOM 999 CB ALA A 154 0.342 -7.271 0.173 1.00 0.10 C ATOM 0 H ALA A 154 1.936 -9.138 -0.137 1.00 0.09 H new ATOM 0 HA ALA A 154 -0.816 -8.861 -0.643 1.00 0.09 H new ATOM 0 HB1 ALA A 154 -0.464 -6.541 0.104 1.00 0.10 H new ATOM 0 HB2 ALA A 154 0.348 -7.712 1.170 1.00 0.10 H new ATOM 0 HB3 ALA A 154 1.296 -6.777 -0.011 1.00 0.10 H new ATOM 1005 N ILE A 155 1.198 -7.507 -2.864 1.00 0.09 N ATOM 1006 CA ILE A 155 1.248 -6.949 -4.209 1.00 0.10 C ATOM 1007 C ILE A 155 0.536 -7.857 -5.204 1.00 0.11 C ATOM 1008 O ILE A 155 -0.380 -7.424 -5.895 1.00 0.14 O ATOM 1009 CB ILE A 155 2.701 -6.724 -4.674 1.00 0.11 C ATOM 1010 CG1 ILE A 155 3.380 -5.682 -3.788 1.00 0.12 C ATOM 1011 CG2 ILE A 155 2.738 -6.294 -6.136 1.00 0.14 C ATOM 1012 CD1 ILE A 155 4.844 -5.478 -4.102 1.00 0.15 C ATOM 0 H ILE A 155 2.111 -7.677 -2.443 1.00 0.09 H new ATOM 0 HA ILE A 155 0.739 -5.986 -4.173 1.00 0.10 H new ATOM 0 HB ILE A 155 3.245 -7.664 -4.585 1.00 0.11 H new ATOM 0 HG12 ILE A 155 2.859 -4.731 -3.896 1.00 0.12 H new ATOM 0 HG13 ILE A 155 3.280 -5.984 -2.745 1.00 0.12 H new ATOM 0 HG21 ILE A 155 3.772 -6.141 -6.444 1.00 0.14 H new ATOM 0 HG22 ILE A 155 2.286 -7.069 -6.755 1.00 0.14 H new ATOM 0 HG23 ILE A 155 2.182 -5.364 -6.256 1.00 0.14 H new ATOM 0 HD11 ILE A 155 5.258 -4.724 -3.433 1.00 0.15 H new ATOM 0 HD12 ILE A 155 5.380 -6.418 -3.966 1.00 0.15 H new ATOM 0 HD13 ILE A 155 4.952 -5.145 -5.134 1.00 0.15 H new ATOM 1024 N GLU A 156 0.935 -9.121 -5.249 1.00 0.11 N ATOM 1025 CA GLU A 156 0.353 -10.062 -6.195 1.00 0.13 C ATOM 1026 C GLU A 156 -1.123 -10.292 -5.927 1.00 0.12 C ATOM 1027 O GLU A 156 -1.947 -10.278 -6.842 1.00 0.15 O ATOM 1028 CB GLU A 156 1.087 -11.411 -6.186 1.00 0.17 C ATOM 1029 CG GLU A 156 1.549 -11.888 -4.817 1.00 0.21 C ATOM 1030 CD GLU A 156 1.997 -13.331 -4.828 1.00 0.62 C ATOM 1031 OE1 GLU A 156 1.129 -14.229 -4.854 1.00 1.08 O ATOM 1032 OE2 GLU A 156 3.219 -13.578 -4.820 1.00 0.63 O ATOM 0 H GLU A 156 1.655 -9.516 -4.645 1.00 0.11 H new ATOM 0 HA GLU A 156 0.465 -9.608 -7.180 1.00 0.13 H new ATOM 0 HB2 GLU A 156 0.429 -12.167 -6.614 1.00 0.17 H new ATOM 0 HB3 GLU A 156 1.956 -11.338 -6.840 1.00 0.17 H new ATOM 0 HG2 GLU A 156 2.370 -11.259 -4.475 1.00 0.21 H new ATOM 0 HG3 GLU A 156 0.736 -11.769 -4.101 1.00 0.21 H new ATOM 1039 N LYS A 157 -1.445 -10.490 -4.668 1.00 0.09 N ATOM 1040 CA LYS A 157 -2.768 -10.920 -4.273 1.00 0.10 C ATOM 1041 C LYS A 157 -3.789 -9.783 -4.303 1.00 0.08 C ATOM 1042 O LYS A 157 -4.936 -9.980 -4.705 1.00 0.10 O ATOM 1043 CB LYS A 157 -2.696 -11.530 -2.872 1.00 0.12 C ATOM 1044 CG LYS A 157 -3.413 -12.865 -2.763 1.00 0.17 C ATOM 1045 CD LYS A 157 -4.896 -12.741 -3.088 1.00 0.21 C ATOM 1046 CE LYS A 157 -5.745 -12.454 -1.854 1.00 0.29 C ATOM 1047 NZ LYS A 157 -5.634 -13.533 -0.831 1.00 1.16 N ATOM 0 H LYS A 157 -0.798 -10.358 -3.890 1.00 0.09 H new ATOM 0 HA LYS A 157 -3.108 -11.663 -4.994 1.00 0.10 H new ATOM 0 HB2 LYS A 157 -1.650 -11.663 -2.594 1.00 0.12 H new ATOM 0 HB3 LYS A 157 -3.130 -10.832 -2.156 1.00 0.12 H new ATOM 0 HG2 LYS A 157 -2.951 -13.582 -3.442 1.00 0.17 H new ATOM 0 HG3 LYS A 157 -3.294 -13.260 -1.754 1.00 0.17 H new ATOM 0 HD2 LYS A 157 -5.039 -11.943 -3.816 1.00 0.21 H new ATOM 0 HD3 LYS A 157 -5.240 -13.664 -3.555 1.00 0.21 H new ATOM 0 HE2 LYS A 157 -5.435 -11.506 -1.415 1.00 0.29 H new ATOM 0 HE3 LYS A 157 -6.788 -12.343 -2.150 1.00 0.29 H new ATOM 0 HZ1 LYS A 157 -6.556 -14.002 -0.720 1.00 1.16 H new ATOM 0 HZ2 LYS A 157 -4.925 -14.230 -1.137 1.00 1.16 H new ATOM 0 HZ3 LYS A 157 -5.344 -13.121 0.078 1.00 1.16 H new ATOM 1061 N MET A 158 -3.375 -8.596 -3.895 1.00 0.07 N ATOM 1062 CA MET A 158 -4.303 -7.477 -3.766 1.00 0.08 C ATOM 1063 C MET A 158 -4.408 -6.670 -5.046 1.00 0.09 C ATOM 1064 O MET A 158 -5.426 -6.019 -5.285 1.00 0.13 O ATOM 1065 CB MET A 158 -3.905 -6.567 -2.605 1.00 0.09 C ATOM 1066 CG MET A 158 -3.981 -7.261 -1.263 1.00 0.10 C ATOM 1067 SD MET A 158 -5.295 -6.630 -0.199 1.00 0.35 S ATOM 1068 CE MET A 158 -6.672 -6.513 -1.336 1.00 0.18 C ATOM 0 H MET A 158 -2.409 -8.379 -3.648 1.00 0.07 H new ATOM 0 HA MET A 158 -5.284 -7.905 -3.561 1.00 0.08 H new ATOM 0 HB2 MET A 158 -2.889 -6.205 -2.765 1.00 0.09 H new ATOM 0 HB3 MET A 158 -4.557 -5.693 -2.594 1.00 0.09 H new ATOM 0 HG2 MET A 158 -4.135 -8.328 -1.423 1.00 0.10 H new ATOM 0 HG3 MET A 158 -3.025 -7.150 -0.751 1.00 0.10 H new ATOM 0 HE1 MET A 158 -7.602 -6.433 -0.774 1.00 0.18 H new ATOM 0 HE2 MET A 158 -6.551 -5.631 -1.965 1.00 0.18 H new ATOM 0 HE3 MET A 158 -6.703 -7.404 -1.963 1.00 0.18 H new ATOM 1078 N ASN A 159 -3.372 -6.699 -5.870 1.00 0.09 N ATOM 1079 CA ASN A 159 -3.418 -5.973 -7.126 1.00 0.10 C ATOM 1080 C ASN A 159 -4.471 -6.602 -8.032 1.00 0.13 C ATOM 1081 O ASN A 159 -4.416 -7.800 -8.318 1.00 0.16 O ATOM 1082 CB ASN A 159 -2.053 -5.988 -7.819 1.00 0.14 C ATOM 1083 CG ASN A 159 -2.007 -5.090 -9.044 1.00 0.16 C ATOM 1084 OD1 ASN A 159 -2.782 -4.139 -9.156 1.00 0.44 O ATOM 1085 ND2 ASN A 159 -1.074 -5.353 -9.949 1.00 0.38 N ATOM 0 H ASN A 159 -2.505 -7.208 -5.696 1.00 0.09 H new ATOM 0 HA ASN A 159 -3.680 -4.935 -6.922 1.00 0.10 H new ATOM 0 HB2 ASN A 159 -1.287 -5.670 -7.111 1.00 0.14 H new ATOM 0 HB3 ASN A 159 -1.811 -7.009 -8.113 1.00 0.14 H new ATOM 0 HD21 ASN A 159 -0.980 -4.758 -10.772 1.00 0.38 H new ATOM 0 HD22 ASN A 159 -0.450 -6.150 -9.822 1.00 0.38 H new ATOM 1092 N GLY A 160 -5.432 -5.803 -8.473 1.00 0.14 N ATOM 1093 CA GLY A 160 -6.484 -6.316 -9.330 1.00 0.19 C ATOM 1094 C GLY A 160 -7.669 -6.850 -8.545 1.00 0.22 C ATOM 1095 O GLY A 160 -8.535 -7.530 -9.099 1.00 0.29 O ATOM 0 H GLY A 160 -5.503 -4.809 -8.254 1.00 0.14 H new ATOM 0 HA2 GLY A 160 -6.823 -5.523 -9.997 1.00 0.19 H new ATOM 0 HA3 GLY A 160 -6.081 -7.111 -9.958 1.00 0.19 H new ATOM 1099 N MET A 161 -7.712 -6.551 -7.254 1.00 0.22 N ATOM 1100 CA MET A 161 -8.822 -6.968 -6.408 1.00 0.27 C ATOM 1101 C MET A 161 -9.783 -5.821 -6.162 1.00 0.24 C ATOM 1102 O MET A 161 -9.407 -4.658 -6.271 1.00 0.23 O ATOM 1103 CB MET A 161 -8.305 -7.503 -5.079 1.00 0.32 C ATOM 1104 CG MET A 161 -8.145 -9.006 -5.079 1.00 0.68 C ATOM 1105 SD MET A 161 -9.720 -9.847 -5.322 1.00 1.18 S ATOM 1106 CE MET A 161 -9.166 -11.329 -6.154 1.00 1.04 C ATOM 0 H MET A 161 -6.989 -6.020 -6.769 1.00 0.22 H new ATOM 0 HA MET A 161 -9.359 -7.761 -6.929 1.00 0.27 H new ATOM 0 HB2 MET A 161 -7.345 -7.039 -4.854 1.00 0.32 H new ATOM 0 HB3 MET A 161 -8.992 -7.215 -4.284 1.00 0.32 H new ATOM 0 HG2 MET A 161 -7.452 -9.298 -5.868 1.00 0.68 H new ATOM 0 HG3 MET A 161 -7.705 -9.325 -4.134 1.00 0.68 H new ATOM 0 HE1 MET A 161 -10.024 -11.963 -6.377 1.00 1.04 H new ATOM 0 HE2 MET A 161 -8.663 -11.059 -7.083 1.00 1.04 H new ATOM 0 HE3 MET A 161 -8.473 -11.870 -5.510 1.00 1.04 H new ATOM 1116 N LEU A 162 -11.018 -6.156 -5.810 1.00 0.26 N ATOM 1117 CA LEU A 162 -12.031 -5.155 -5.547 1.00 0.26 C ATOM 1118 C LEU A 162 -12.135 -4.935 -4.066 1.00 0.28 C ATOM 1119 O LEU A 162 -12.629 -5.798 -3.338 1.00 0.44 O ATOM 1120 CB LEU A 162 -13.415 -5.568 -6.058 1.00 0.31 C ATOM 1121 CG LEU A 162 -13.658 -5.449 -7.558 1.00 0.34 C ATOM 1122 CD1 LEU A 162 -15.072 -5.887 -7.870 1.00 0.42 C ATOM 1123 CD2 LEU A 162 -13.461 -4.021 -8.024 1.00 0.34 C ATOM 0 H LEU A 162 -11.338 -7.118 -5.701 1.00 0.26 H new ATOM 0 HA LEU A 162 -11.727 -4.249 -6.072 1.00 0.26 H new ATOM 0 HB2 LEU A 162 -13.589 -6.604 -5.767 1.00 0.31 H new ATOM 0 HB3 LEU A 162 -14.161 -4.962 -5.544 1.00 0.31 H new ATOM 0 HG LEU A 162 -12.943 -6.086 -8.079 1.00 0.34 H new ATOM 0 HD11 LEU A 162 -15.251 -5.804 -8.942 1.00 0.42 H new ATOM 0 HD12 LEU A 162 -15.209 -6.923 -7.559 1.00 0.42 H new ATOM 0 HD13 LEU A 162 -15.777 -5.251 -7.334 1.00 0.42 H new ATOM 0 HD21 LEU A 162 -13.640 -3.961 -9.098 1.00 0.34 H new ATOM 0 HD22 LEU A 162 -14.161 -3.368 -7.502 1.00 0.34 H new ATOM 0 HD23 LEU A 162 -12.440 -3.705 -7.808 1.00 0.34 H new ATOM 1135 N LEU A 163 -11.657 -3.812 -3.608 1.00 0.25 N ATOM 1136 CA LEU A 163 -11.874 -3.452 -2.240 1.00 0.33 C ATOM 1137 C LEU A 163 -13.152 -2.646 -2.143 1.00 0.45 C ATOM 1138 O LEU A 163 -13.211 -1.503 -2.608 1.00 1.02 O ATOM 1139 CB LEU A 163 -10.685 -2.690 -1.659 1.00 0.29 C ATOM 1140 CG LEU A 163 -9.556 -3.577 -1.141 1.00 0.31 C ATOM 1141 CD1 LEU A 163 -8.400 -2.734 -0.636 1.00 0.31 C ATOM 1142 CD2 LEU A 163 -10.072 -4.487 -0.037 1.00 0.34 C ATOM 0 H LEU A 163 -11.121 -3.139 -4.156 1.00 0.25 H new ATOM 0 HA LEU A 163 -11.974 -4.360 -1.645 1.00 0.33 H new ATOM 0 HB2 LEU A 163 -10.286 -2.026 -2.426 1.00 0.29 H new ATOM 0 HB3 LEU A 163 -11.038 -2.059 -0.843 1.00 0.29 H new ATOM 0 HG LEU A 163 -9.193 -4.193 -1.964 1.00 0.31 H new ATOM 0 HD11 LEU A 163 -7.606 -3.386 -0.271 1.00 0.31 H new ATOM 0 HD12 LEU A 163 -8.018 -2.116 -1.449 1.00 0.31 H new ATOM 0 HD13 LEU A 163 -8.744 -2.093 0.176 1.00 0.31 H new ATOM 0 HD21 LEU A 163 -9.259 -5.116 0.326 1.00 0.34 H new ATOM 0 HD22 LEU A 163 -10.456 -3.881 0.784 1.00 0.34 H new ATOM 0 HD23 LEU A 163 -10.871 -5.117 -0.428 1.00 0.34 H new ATOM 1154 N ASN A 164 -14.181 -3.279 -1.587 1.00 0.41 N ATOM 1155 CA ASN A 164 -15.518 -2.701 -1.487 1.00 0.42 C ATOM 1156 C ASN A 164 -16.214 -2.665 -2.836 1.00 0.45 C ATOM 1157 O ASN A 164 -17.188 -3.379 -3.069 1.00 0.72 O ATOM 1158 CB ASN A 164 -15.478 -1.304 -0.856 1.00 0.49 C ATOM 1159 CG ASN A 164 -15.297 -1.354 0.645 1.00 1.06 C ATOM 1160 OD1 ASN A 164 -15.716 -2.304 1.303 1.00 1.71 O ATOM 1161 ND2 ASN A 164 -14.685 -0.324 1.201 1.00 1.07 N ATOM 0 H ASN A 164 -14.110 -4.216 -1.190 1.00 0.41 H new ATOM 0 HA ASN A 164 -16.099 -3.349 -0.831 1.00 0.42 H new ATOM 0 HB2 ASN A 164 -14.663 -0.732 -1.299 1.00 0.49 H new ATOM 0 HB3 ASN A 164 -16.402 -0.776 -1.090 1.00 0.49 H new ATOM 0 HD21 ASN A 164 -14.546 -0.298 2.211 1.00 1.07 H new ATOM 0 HD22 ASN A 164 -14.352 0.445 0.620 1.00 1.07 H new ATOM 1168 N ASP A 165 -15.688 -1.851 -3.716 1.00 0.42 N ATOM 1169 CA ASP A 165 -16.281 -1.633 -5.024 1.00 0.44 C ATOM 1170 C ASP A 165 -15.247 -1.125 -6.040 1.00 0.43 C ATOM 1171 O ASP A 165 -15.582 -0.792 -7.174 1.00 0.65 O ATOM 1172 CB ASP A 165 -17.442 -0.636 -4.885 1.00 0.55 C ATOM 1173 CG ASP A 165 -18.148 -0.324 -6.191 1.00 0.71 C ATOM 1174 OD1 ASP A 165 -18.963 -1.152 -6.651 1.00 0.82 O ATOM 1175 OD2 ASP A 165 -17.901 0.759 -6.762 1.00 0.85 O ATOM 0 H ASP A 165 -14.835 -1.317 -3.551 1.00 0.42 H new ATOM 0 HA ASP A 165 -16.655 -2.585 -5.402 1.00 0.44 H new ATOM 0 HB2 ASP A 165 -18.168 -1.037 -4.178 1.00 0.55 H new ATOM 0 HB3 ASP A 165 -17.061 0.292 -4.459 1.00 0.55 H new ATOM 1180 N ARG A 166 -13.979 -1.108 -5.658 1.00 0.32 N ATOM 1181 CA ARG A 166 -12.945 -0.545 -6.516 1.00 0.27 C ATOM 1182 C ARG A 166 -11.779 -1.497 -6.652 1.00 0.24 C ATOM 1183 O ARG A 166 -11.318 -2.071 -5.665 1.00 0.24 O ATOM 1184 CB ARG A 166 -12.442 0.792 -5.975 1.00 0.24 C ATOM 1185 CG ARG A 166 -13.436 1.928 -6.107 1.00 0.27 C ATOM 1186 CD ARG A 166 -12.782 3.260 -5.786 1.00 0.27 C ATOM 1187 NE ARG A 166 -13.714 4.376 -5.905 1.00 0.42 N ATOM 1188 CZ ARG A 166 -13.377 5.575 -6.380 1.00 0.58 C ATOM 1189 NH1 ARG A 166 -12.147 5.788 -6.842 1.00 0.96 N ATOM 1190 NH2 ARG A 166 -14.274 6.552 -6.404 1.00 0.70 N ATOM 0 H ARG A 166 -13.642 -1.474 -4.768 1.00 0.32 H new ATOM 0 HA ARG A 166 -13.394 -0.383 -7.496 1.00 0.27 H new ATOM 0 HB2 ARG A 166 -12.183 0.671 -4.923 1.00 0.24 H new ATOM 0 HB3 ARG A 166 -11.526 1.062 -6.500 1.00 0.24 H new ATOM 0 HG2 ARG A 166 -13.837 1.950 -7.120 1.00 0.27 H new ATOM 0 HG3 ARG A 166 -14.278 1.760 -5.435 1.00 0.27 H new ATOM 0 HD2 ARG A 166 -12.381 3.231 -4.773 1.00 0.27 H new ATOM 0 HD3 ARG A 166 -11.939 3.420 -6.458 1.00 0.27 H new ATOM 0 HE ARG A 166 -14.679 4.230 -5.608 1.00 0.42 H new ATOM 0 HH11 ARG A 166 -11.461 5.033 -6.833 1.00 0.96 H new ATOM 0 HH12 ARG A 166 -11.890 6.706 -7.205 1.00 0.96 H new ATOM 0 HH21 ARG A 166 -15.219 6.385 -6.059 1.00 0.70 H new ATOM 0 HH22 ARG A 166 -14.018 7.470 -6.767 1.00 0.70 H new ATOM 1204 N LYS A 167 -11.316 -1.673 -7.875 1.00 0.22 N ATOM 1205 CA LYS A 167 -10.174 -2.523 -8.136 1.00 0.20 C ATOM 1206 C LYS A 167 -8.908 -1.764 -7.791 1.00 0.17 C ATOM 1207 O LYS A 167 -8.614 -0.732 -8.392 1.00 0.22 O ATOM 1208 CB LYS A 167 -10.160 -2.960 -9.602 1.00 0.23 C ATOM 1209 CG LYS A 167 -10.037 -4.463 -9.788 1.00 0.40 C ATOM 1210 CD LYS A 167 -10.262 -4.865 -11.235 1.00 0.47 C ATOM 1211 CE LYS A 167 -10.460 -6.366 -11.365 1.00 0.53 C ATOM 1212 NZ LYS A 167 -10.630 -6.784 -12.780 1.00 1.00 N ATOM 0 H LYS A 167 -11.716 -1.236 -8.705 1.00 0.22 H new ATOM 0 HA LYS A 167 -10.236 -3.420 -7.520 1.00 0.20 H new ATOM 0 HB2 LYS A 167 -11.076 -2.617 -10.083 1.00 0.23 H new ATOM 0 HB3 LYS A 167 -9.329 -2.470 -10.110 1.00 0.23 H new ATOM 0 HG2 LYS A 167 -9.048 -4.791 -9.468 1.00 0.40 H new ATOM 0 HG3 LYS A 167 -10.762 -4.970 -9.151 1.00 0.40 H new ATOM 0 HD2 LYS A 167 -11.136 -4.345 -11.628 1.00 0.47 H new ATOM 0 HD3 LYS A 167 -9.409 -4.555 -11.838 1.00 0.47 H new ATOM 0 HE2 LYS A 167 -9.603 -6.883 -10.935 1.00 0.53 H new ATOM 0 HE3 LYS A 167 -11.336 -6.667 -10.790 1.00 0.53 H new ATOM 0 HZ1 LYS A 167 -10.762 -7.815 -12.824 1.00 1.00 H new ATOM 0 HZ2 LYS A 167 -11.463 -6.310 -13.184 1.00 1.00 H new ATOM 0 HZ3 LYS A 167 -9.784 -6.520 -13.324 1.00 1.00 H new ATOM 1226 N VAL A 168 -8.148 -2.279 -6.845 1.00 0.13 N ATOM 1227 CA VAL A 168 -7.007 -1.549 -6.334 1.00 0.12 C ATOM 1228 C VAL A 168 -5.722 -2.048 -6.953 1.00 0.11 C ATOM 1229 O VAL A 168 -5.583 -3.226 -7.293 1.00 0.13 O ATOM 1230 CB VAL A 168 -6.882 -1.632 -4.794 1.00 0.13 C ATOM 1231 CG1 VAL A 168 -7.922 -0.754 -4.117 1.00 0.17 C ATOM 1232 CG2 VAL A 168 -7.002 -3.073 -4.314 1.00 0.13 C ATOM 0 H VAL A 168 -8.299 -3.193 -6.418 1.00 0.13 H new ATOM 0 HA VAL A 168 -7.175 -0.507 -6.607 1.00 0.12 H new ATOM 0 HB VAL A 168 -5.894 -1.264 -4.519 1.00 0.13 H new ATOM 0 HG11 VAL A 168 -7.813 -0.830 -3.035 1.00 0.17 H new ATOM 0 HG12 VAL A 168 -7.779 0.282 -4.424 1.00 0.17 H new ATOM 0 HG13 VAL A 168 -8.920 -1.084 -4.405 1.00 0.17 H new ATOM 0 HG21 VAL A 168 -6.911 -3.104 -3.228 1.00 0.13 H new ATOM 0 HG22 VAL A 168 -7.972 -3.475 -4.608 1.00 0.13 H new ATOM 0 HG23 VAL A 168 -6.210 -3.673 -4.762 1.00 0.13 H new ATOM 1242 N PHE A 169 -4.802 -1.127 -7.125 1.00 0.11 N ATOM 1243 CA PHE A 169 -3.520 -1.424 -7.709 1.00 0.12 C ATOM 1244 C PHE A 169 -2.457 -1.408 -6.625 1.00 0.10 C ATOM 1245 O PHE A 169 -2.233 -0.387 -5.988 1.00 0.12 O ATOM 1246 CB PHE A 169 -3.204 -0.394 -8.798 1.00 0.18 C ATOM 1247 CG PHE A 169 -1.835 -0.531 -9.390 1.00 0.14 C ATOM 1248 CD1 PHE A 169 -1.601 -1.404 -10.437 1.00 0.25 C ATOM 1249 CD2 PHE A 169 -0.783 0.216 -8.897 1.00 0.18 C ATOM 1250 CE1 PHE A 169 -0.337 -1.529 -10.981 1.00 0.30 C ATOM 1251 CE2 PHE A 169 0.481 0.095 -9.435 1.00 0.23 C ATOM 1252 CZ PHE A 169 0.707 -0.777 -10.477 1.00 0.26 C ATOM 0 H PHE A 169 -4.925 -0.149 -6.862 1.00 0.11 H new ATOM 0 HA PHE A 169 -3.538 -2.414 -8.164 1.00 0.12 H new ATOM 0 HB2 PHE A 169 -3.943 -0.484 -9.594 1.00 0.18 H new ATOM 0 HB3 PHE A 169 -3.308 0.606 -8.378 1.00 0.18 H new ATOM 0 HD1 PHE A 169 -2.414 -1.994 -10.833 1.00 0.25 H new ATOM 0 HD2 PHE A 169 -0.952 0.903 -8.081 1.00 0.18 H new ATOM 0 HE1 PHE A 169 -0.165 -2.213 -11.799 1.00 0.30 H new ATOM 0 HE2 PHE A 169 1.295 0.685 -9.039 1.00 0.23 H new ATOM 0 HZ PHE A 169 1.697 -0.873 -10.899 1.00 0.26 H new ATOM 1262 N VAL A 170 -1.819 -2.543 -6.411 1.00 0.09 N ATOM 1263 CA VAL A 170 -0.776 -2.644 -5.404 1.00 0.10 C ATOM 1264 C VAL A 170 0.552 -2.946 -6.080 1.00 0.11 C ATOM 1265 O VAL A 170 0.637 -3.838 -6.926 1.00 0.13 O ATOM 1266 CB VAL A 170 -1.068 -3.748 -4.355 1.00 0.10 C ATOM 1267 CG1 VAL A 170 -0.022 -3.739 -3.251 1.00 0.11 C ATOM 1268 CG2 VAL A 170 -2.459 -3.601 -3.758 1.00 0.09 C ATOM 0 H VAL A 170 -2.003 -3.408 -6.919 1.00 0.09 H new ATOM 0 HA VAL A 170 -0.739 -1.689 -4.880 1.00 0.10 H new ATOM 0 HB VAL A 170 -1.023 -4.705 -4.874 1.00 0.10 H new ATOM 0 HG11 VAL A 170 -0.249 -4.522 -2.528 1.00 0.11 H new ATOM 0 HG12 VAL A 170 0.963 -3.918 -3.682 1.00 0.11 H new ATOM 0 HG13 VAL A 170 -0.029 -2.771 -2.751 1.00 0.11 H new ATOM 0 HG21 VAL A 170 -2.627 -4.392 -3.027 1.00 0.09 H new ATOM 0 HG22 VAL A 170 -2.544 -2.631 -3.268 1.00 0.09 H new ATOM 0 HG23 VAL A 170 -3.204 -3.674 -4.550 1.00 0.09 H new ATOM 1278 N GLY A 171 1.574 -2.189 -5.724 1.00 0.12 N ATOM 1279 CA GLY A 171 2.878 -2.391 -6.311 1.00 0.14 C ATOM 1280 C GLY A 171 3.994 -1.975 -5.380 1.00 0.14 C ATOM 1281 O GLY A 171 3.740 -1.578 -4.241 1.00 0.18 O ATOM 0 H GLY A 171 1.524 -1.436 -5.037 1.00 0.12 H new ATOM 0 HA2 GLY A 171 2.998 -3.442 -6.572 1.00 0.14 H new ATOM 0 HA3 GLY A 171 2.949 -1.822 -7.238 1.00 0.14 H new ATOM 1285 N ARG A 172 5.227 -2.068 -5.865 1.00 0.18 N ATOM 1286 CA ARG A 172 6.393 -1.699 -5.071 1.00 0.19 C ATOM 1287 C ARG A 172 6.364 -0.207 -4.750 1.00 0.22 C ATOM 1288 O ARG A 172 5.963 0.611 -5.579 1.00 0.36 O ATOM 1289 CB ARG A 172 7.685 -2.062 -5.811 1.00 0.23 C ATOM 1290 CG ARG A 172 7.828 -3.551 -6.116 1.00 0.32 C ATOM 1291 CD ARG A 172 8.243 -4.364 -4.892 1.00 0.39 C ATOM 1292 NE ARG A 172 8.271 -5.797 -5.183 1.00 1.03 N ATOM 1293 CZ ARG A 172 8.982 -6.690 -4.497 1.00 1.26 C ATOM 1294 NH1 ARG A 172 9.823 -6.291 -3.546 1.00 1.34 N ATOM 1295 NH2 ARG A 172 8.870 -7.981 -4.783 1.00 1.93 N ATOM 0 H ARG A 172 5.445 -2.396 -6.806 1.00 0.18 H new ATOM 0 HA ARG A 172 6.365 -2.257 -4.135 1.00 0.19 H new ATOM 0 HB2 ARG A 172 7.725 -1.504 -6.747 1.00 0.23 H new ATOM 0 HB3 ARG A 172 8.537 -1.741 -5.212 1.00 0.23 H new ATOM 0 HG2 ARG A 172 6.881 -3.933 -6.497 1.00 0.32 H new ATOM 0 HG3 ARG A 172 8.567 -3.687 -6.906 1.00 0.32 H new ATOM 0 HD2 ARG A 172 9.228 -4.041 -4.557 1.00 0.39 H new ATOM 0 HD3 ARG A 172 7.549 -4.172 -4.074 1.00 0.39 H new ATOM 0 HE ARG A 172 7.708 -6.135 -5.964 1.00 1.03 H new ATOM 0 HH11 ARG A 172 9.925 -5.297 -3.340 1.00 1.34 H new ATOM 0 HH12 ARG A 172 10.365 -6.979 -3.023 1.00 1.34 H new ATOM 0 HH21 ARG A 172 8.241 -8.286 -5.526 1.00 1.93 H new ATOM 0 HH22 ARG A 172 9.413 -8.668 -4.260 1.00 1.93 H new