USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 451 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 Single : A 98 SER OG : rot 180:sc= -0.227 USER MOD Single : A 103 MET CE :methyl 172:sc= -5.39! (180deg=-5.41!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN :FLIP amide:sc= -2.07! C(o=-3!,f=-2.1!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 MET CE :methyl -152:sc= -0.197 (180deg=-1.47) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 129 THR OG1 : rot -33:sc= 0.632 USER MOD Single : A 137 MET CE :methyl -108:sc= -1.94 (180deg=-4.14!) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= -5.81! C(o=-5.8!,f=-12!) USER MOD Single : A 144 ASN : amide:sc= -0.369 X(o=-0.37,f=0) USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 MET CE :methyl 157:sc= -0.698 (180deg=-2.55!) USER MOD Single : A 158 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.0587) USER MOD ----------------------------------------------------------------- ATOM 155 N GLU A 96 64.892 -11.072 -3.965 1.00 1.38 N ATOM 156 CA GLU A 96 63.546 -10.460 -4.167 1.00 1.34 C ATOM 157 C GLU A 96 63.510 -9.053 -3.565 1.00 1.16 C ATOM 158 O GLU A 96 62.833 -8.174 -4.060 1.00 1.07 O ATOM 159 CB GLU A 96 62.576 -11.385 -3.433 1.00 1.51 C ATOM 160 CG GLU A 96 61.631 -12.035 -4.445 1.00 2.07 C ATOM 161 CD GLU A 96 60.337 -11.222 -4.530 1.00 2.19 C ATOM 162 OE1 GLU A 96 59.621 -11.179 -3.544 1.00 2.61 O ATOM 163 OE2 GLU A 96 60.084 -10.657 -5.582 1.00 2.60 O ATOM 0 HA GLU A 96 63.291 -10.359 -5.222 1.00 1.34 H new ATOM 0 HB2 GLU A 96 63.128 -12.152 -2.890 1.00 1.51 H new ATOM 0 HB3 GLU A 96 62.005 -10.820 -2.696 1.00 1.51 H new ATOM 0 HG2 GLU A 96 62.107 -12.084 -5.424 1.00 2.07 H new ATOM 0 HG3 GLU A 96 61.410 -13.060 -4.146 1.00 2.07 H new ATOM 170 N LEU A 97 64.232 -8.831 -2.500 1.00 1.14 N ATOM 171 CA LEU A 97 64.236 -7.480 -1.868 1.00 0.99 C ATOM 172 C LEU A 97 64.510 -6.405 -2.924 1.00 0.82 C ATOM 173 O LEU A 97 63.675 -5.566 -3.201 1.00 0.70 O ATOM 174 CB LEU A 97 65.368 -7.526 -0.842 1.00 1.03 C ATOM 175 CG LEU A 97 64.797 -7.306 0.560 1.00 1.31 C ATOM 176 CD1 LEU A 97 65.428 -8.305 1.532 1.00 1.57 C ATOM 177 CD2 LEU A 97 65.113 -5.882 1.021 1.00 1.71 C ATOM 0 H LEU A 97 64.819 -9.527 -2.040 1.00 1.14 H new ATOM 0 HA LEU A 97 63.279 -7.236 -1.407 1.00 0.99 H new ATOM 0 HB2 LEU A 97 65.878 -8.488 -0.891 1.00 1.03 H new ATOM 0 HB3 LEU A 97 66.109 -6.760 -1.068 1.00 1.03 H new ATOM 0 HG LEU A 97 63.717 -7.452 0.538 1.00 1.31 H new ATOM 0 HD11 LEU A 97 65.021 -8.148 2.531 1.00 1.57 H new ATOM 0 HD12 LEU A 97 65.205 -9.321 1.205 1.00 1.57 H new ATOM 0 HD13 LEU A 97 66.508 -8.159 1.553 1.00 1.57 H new ATOM 0 HD21 LEU A 97 64.706 -5.724 2.020 1.00 1.71 H new ATOM 0 HD22 LEU A 97 66.193 -5.738 1.042 1.00 1.71 H new ATOM 0 HD23 LEU A 97 64.665 -5.168 0.330 1.00 1.71 H new ATOM 189 N SER A 98 65.674 -6.422 -3.513 1.00 0.87 N ATOM 190 CA SER A 98 66.000 -5.400 -4.549 1.00 0.78 C ATOM 191 C SER A 98 64.899 -5.354 -5.612 1.00 0.75 C ATOM 192 O SER A 98 64.517 -4.300 -6.078 1.00 0.74 O ATOM 193 CB SER A 98 67.319 -5.867 -5.164 1.00 0.93 C ATOM 194 OG SER A 98 67.047 -6.638 -6.326 1.00 1.41 O ATOM 0 H SER A 98 66.413 -7.098 -3.322 1.00 0.87 H new ATOM 0 HA SER A 98 66.078 -4.397 -4.129 1.00 0.78 H new ATOM 0 HB2 SER A 98 67.939 -5.008 -5.420 1.00 0.93 H new ATOM 0 HB3 SER A 98 67.880 -6.461 -4.442 1.00 0.93 H new ATOM 0 HG SER A 98 67.891 -6.938 -6.724 1.00 1.41 H new ATOM 200 N ASP A 99 64.385 -6.490 -5.998 1.00 0.80 N ATOM 201 CA ASP A 99 63.307 -6.506 -7.030 1.00 0.82 C ATOM 202 C ASP A 99 62.167 -5.573 -6.618 1.00 0.77 C ATOM 203 O ASP A 99 61.635 -4.834 -7.422 1.00 0.77 O ATOM 204 CB ASP A 99 62.823 -7.957 -7.076 1.00 0.93 C ATOM 205 CG ASP A 99 63.096 -8.542 -8.463 1.00 1.45 C ATOM 206 OD1 ASP A 99 62.313 -8.278 -9.361 1.00 1.92 O ATOM 207 OD2 ASP A 99 64.083 -9.246 -8.603 1.00 2.18 O ATOM 0 H ASP A 99 64.663 -7.406 -5.645 1.00 0.80 H new ATOM 0 HA ASP A 99 63.661 -6.164 -8.002 1.00 0.82 H new ATOM 0 HB2 ASP A 99 63.334 -8.546 -6.314 1.00 0.93 H new ATOM 0 HB3 ASP A 99 61.757 -8.003 -6.853 1.00 0.93 H new ATOM 212 N LEU A 100 61.789 -5.599 -5.369 1.00 0.77 N ATOM 213 CA LEU A 100 60.684 -4.711 -4.906 1.00 0.77 C ATOM 214 C LEU A 100 61.151 -3.254 -4.879 1.00 0.64 C ATOM 215 O LEU A 100 60.387 -2.342 -5.122 1.00 0.64 O ATOM 216 CB LEU A 100 60.353 -5.194 -3.493 1.00 0.85 C ATOM 217 CG LEU A 100 59.654 -6.552 -3.565 1.00 1.16 C ATOM 218 CD1 LEU A 100 59.359 -7.049 -2.149 1.00 1.54 C ATOM 219 CD2 LEU A 100 58.341 -6.406 -4.339 1.00 1.57 C ATOM 0 H LEU A 100 62.197 -6.196 -4.650 1.00 0.77 H new ATOM 0 HA LEU A 100 59.817 -4.754 -5.565 1.00 0.77 H new ATOM 0 HB2 LEU A 100 61.266 -5.274 -2.902 1.00 0.85 H new ATOM 0 HB3 LEU A 100 59.711 -4.470 -2.991 1.00 0.85 H new ATOM 0 HG LEU A 100 60.299 -7.268 -4.073 1.00 1.16 H new ATOM 0 HD11 LEU A 100 58.861 -8.017 -2.200 1.00 1.54 H new ATOM 0 HD12 LEU A 100 60.293 -7.150 -1.597 1.00 1.54 H new ATOM 0 HD13 LEU A 100 58.712 -6.334 -1.640 1.00 1.54 H new ATOM 0 HD21 LEU A 100 57.840 -7.373 -4.392 1.00 1.57 H new ATOM 0 HD22 LEU A 100 57.696 -5.691 -3.829 1.00 1.57 H new ATOM 0 HD23 LEU A 100 58.551 -6.050 -5.348 1.00 1.57 H new ATOM 231 N PHE A 101 62.402 -3.027 -4.583 1.00 0.60 N ATOM 232 CA PHE A 101 62.918 -1.628 -4.537 1.00 0.53 C ATOM 233 C PHE A 101 62.823 -0.981 -5.923 1.00 0.49 C ATOM 234 O PHE A 101 62.418 0.156 -6.059 1.00 0.61 O ATOM 235 CB PHE A 101 64.378 -1.761 -4.104 1.00 0.57 C ATOM 236 CG PHE A 101 65.065 -0.421 -4.222 1.00 0.46 C ATOM 237 CD1 PHE A 101 65.380 0.097 -5.485 1.00 1.23 C ATOM 238 CD2 PHE A 101 65.390 0.303 -3.068 1.00 1.31 C ATOM 239 CE1 PHE A 101 66.019 1.339 -5.593 1.00 1.23 C ATOM 240 CE2 PHE A 101 66.028 1.544 -3.177 1.00 1.30 C ATOM 241 CZ PHE A 101 66.343 2.061 -4.438 1.00 0.40 C ATOM 0 H PHE A 101 63.090 -3.750 -4.371 1.00 0.60 H new ATOM 0 HA PHE A 101 62.346 -0.998 -3.856 1.00 0.53 H new ATOM 0 HB2 PHE A 101 64.432 -2.119 -3.076 1.00 0.57 H new ATOM 0 HB3 PHE A 101 64.887 -2.498 -4.726 1.00 0.57 H new ATOM 0 HD1 PHE A 101 65.130 -0.461 -6.375 1.00 1.23 H new ATOM 0 HD2 PHE A 101 65.148 -0.096 -2.094 1.00 1.31 H new ATOM 0 HE1 PHE A 101 66.261 1.739 -6.566 1.00 1.23 H new ATOM 0 HE2 PHE A 101 66.277 2.103 -2.287 1.00 1.30 H new ATOM 0 HZ PHE A 101 66.837 3.018 -4.521 1.00 0.40 H new ATOM 251 N ARG A 102 63.194 -1.696 -6.951 1.00 0.53 N ATOM 252 CA ARG A 102 63.123 -1.117 -8.323 1.00 0.70 C ATOM 253 C ARG A 102 61.688 -1.183 -8.851 1.00 0.80 C ATOM 254 O ARG A 102 61.281 -0.389 -9.675 1.00 1.09 O ATOM 255 CB ARG A 102 64.047 -1.992 -9.173 1.00 0.87 C ATOM 256 CG ARG A 102 63.931 -1.580 -10.642 1.00 1.28 C ATOM 257 CD ARG A 102 64.175 -2.798 -11.536 1.00 1.83 C ATOM 258 NE ARG A 102 65.650 -2.998 -11.523 1.00 2.26 N ATOM 259 CZ ARG A 102 66.172 -4.048 -12.096 1.00 2.89 C ATOM 260 NH1 ARG A 102 65.827 -4.366 -13.314 1.00 3.22 N ATOM 261 NH2 ARG A 102 67.039 -4.780 -11.451 1.00 3.68 N ATOM 0 H ARG A 102 63.542 -2.653 -6.900 1.00 0.53 H new ATOM 0 HA ARG A 102 63.422 -0.069 -8.344 1.00 0.70 H new ATOM 0 HB2 ARG A 102 65.078 -1.886 -8.835 1.00 0.87 H new ATOM 0 HB3 ARG A 102 63.779 -3.042 -9.057 1.00 0.87 H new ATOM 0 HG2 ARG A 102 62.942 -1.165 -10.837 1.00 1.28 H new ATOM 0 HG3 ARG A 102 64.655 -0.798 -10.869 1.00 1.28 H new ATOM 0 HD2 ARG A 102 63.654 -3.677 -11.156 1.00 1.83 H new ATOM 0 HD3 ARG A 102 63.809 -2.624 -12.548 1.00 1.83 H new ATOM 0 HE ARG A 102 66.253 -2.314 -11.066 1.00 2.26 H new ATOM 0 HH11 ARG A 102 65.149 -3.794 -13.818 1.00 3.22 H new ATOM 0 HH12 ARG A 102 66.235 -5.187 -13.762 1.00 3.22 H new ATOM 0 HH21 ARG A 102 67.309 -4.531 -10.499 1.00 3.68 H new ATOM 0 HH22 ARG A 102 67.447 -5.601 -11.899 1.00 3.68 H new ATOM 275 N MET A 103 60.916 -2.125 -8.381 1.00 0.68 N ATOM 276 CA MET A 103 59.507 -2.241 -8.855 1.00 0.81 C ATOM 277 C MET A 103 58.630 -1.188 -8.170 1.00 0.79 C ATOM 278 O MET A 103 57.579 -0.828 -8.660 1.00 0.90 O ATOM 279 CB MET A 103 59.069 -3.650 -8.452 1.00 0.91 C ATOM 280 CG MET A 103 57.664 -3.922 -8.993 1.00 1.35 C ATOM 281 SD MET A 103 56.543 -4.260 -7.614 1.00 1.92 S ATOM 282 CE MET A 103 57.223 -5.873 -7.159 1.00 1.63 C ATOM 0 H MET A 103 61.200 -2.819 -7.690 1.00 0.68 H new ATOM 0 HA MET A 103 59.417 -2.078 -9.929 1.00 0.81 H new ATOM 0 HB2 MET A 103 59.770 -4.386 -8.844 1.00 0.91 H new ATOM 0 HB3 MET A 103 59.078 -3.748 -7.366 1.00 0.91 H new ATOM 0 HG2 MET A 103 57.309 -3.063 -9.562 1.00 1.35 H new ATOM 0 HG3 MET A 103 57.684 -4.771 -9.676 1.00 1.35 H new ATOM 0 HE1 MET A 103 56.767 -6.211 -6.228 1.00 1.63 H new ATOM 0 HE2 MET A 103 57.011 -6.593 -7.949 1.00 1.63 H new ATOM 0 HE3 MET A 103 58.301 -5.789 -7.025 1.00 1.63 H new ATOM 292 N PHE A 104 59.058 -0.692 -7.040 1.00 0.71 N ATOM 293 CA PHE A 104 58.250 0.339 -6.325 1.00 0.75 C ATOM 294 C PHE A 104 58.837 1.730 -6.570 1.00 0.68 C ATOM 295 O PHE A 104 58.263 2.733 -6.191 1.00 0.80 O ATOM 296 CB PHE A 104 58.356 -0.032 -4.845 1.00 0.76 C ATOM 297 CG PHE A 104 57.190 -0.911 -4.459 1.00 1.03 C ATOM 298 CD1 PHE A 104 55.878 -0.468 -4.672 1.00 1.71 C ATOM 299 CD2 PHE A 104 57.419 -2.167 -3.886 1.00 1.67 C ATOM 300 CE1 PHE A 104 54.798 -1.282 -4.314 1.00 2.03 C ATOM 301 CE2 PHE A 104 56.338 -2.981 -3.527 1.00 1.90 C ATOM 302 CZ PHE A 104 55.028 -2.539 -3.741 1.00 1.76 C ATOM 0 H PHE A 104 59.930 -0.955 -6.582 1.00 0.71 H new ATOM 0 HA PHE A 104 57.215 0.364 -6.667 1.00 0.75 H new ATOM 0 HB2 PHE A 104 59.295 -0.552 -4.656 1.00 0.76 H new ATOM 0 HB3 PHE A 104 58.363 0.870 -4.233 1.00 0.76 H new ATOM 0 HD1 PHE A 104 55.700 0.502 -5.113 1.00 1.71 H new ATOM 0 HD2 PHE A 104 58.430 -2.509 -3.721 1.00 1.67 H new ATOM 0 HE1 PHE A 104 53.787 -0.941 -4.480 1.00 2.03 H new ATOM 0 HE2 PHE A 104 56.515 -3.950 -3.085 1.00 1.90 H new ATOM 0 HZ PHE A 104 54.194 -3.167 -3.464 1.00 1.76 H new ATOM 312 N ASP A 105 59.980 1.801 -7.196 1.00 0.58 N ATOM 313 CA ASP A 105 60.605 3.128 -7.461 1.00 0.52 C ATOM 314 C ASP A 105 59.883 3.841 -8.604 1.00 0.52 C ATOM 315 O ASP A 105 60.317 3.812 -9.738 1.00 0.60 O ATOM 316 CB ASP A 105 62.049 2.817 -7.852 1.00 0.60 C ATOM 317 CG ASP A 105 62.853 4.118 -7.914 1.00 0.51 C ATOM 318 OD1 ASP A 105 62.377 5.111 -7.389 1.00 0.48 O ATOM 319 OD2 ASP A 105 63.930 4.099 -8.487 1.00 0.54 O ATOM 0 H ASP A 105 60.508 0.997 -7.535 1.00 0.58 H new ATOM 0 HA ASP A 105 60.549 3.786 -6.594 1.00 0.52 H new ATOM 0 HB2 ASP A 105 62.495 2.136 -7.127 1.00 0.60 H new ATOM 0 HB3 ASP A 105 62.075 2.315 -8.819 1.00 0.60 H new ATOM 324 N LYS A 106 58.788 4.487 -8.315 1.00 0.51 N ATOM 325 CA LYS A 106 58.052 5.208 -9.390 1.00 0.60 C ATOM 326 C LYS A 106 58.985 6.221 -10.055 1.00 0.59 C ATOM 327 O LYS A 106 58.806 6.588 -11.199 1.00 0.70 O ATOM 328 CB LYS A 106 56.899 5.918 -8.680 1.00 0.63 C ATOM 329 CG LYS A 106 56.331 7.010 -9.590 1.00 1.39 C ATOM 330 CD LYS A 106 54.815 6.839 -9.711 1.00 1.58 C ATOM 331 CE LYS A 106 54.503 5.516 -10.415 1.00 2.00 C ATOM 332 NZ LYS A 106 53.411 5.842 -11.373 1.00 2.79 N ATOM 0 H LYS A 106 58.373 4.547 -7.385 1.00 0.51 H new ATOM 0 HA LYS A 106 57.688 4.540 -10.171 1.00 0.60 H new ATOM 0 HB2 LYS A 106 56.119 5.201 -8.425 1.00 0.63 H new ATOM 0 HB3 LYS A 106 57.248 6.355 -7.745 1.00 0.63 H new ATOM 0 HG2 LYS A 106 56.565 7.994 -9.184 1.00 1.39 H new ATOM 0 HG3 LYS A 106 56.793 6.953 -10.575 1.00 1.39 H new ATOM 0 HD2 LYS A 106 54.357 6.853 -8.722 1.00 1.58 H new ATOM 0 HD3 LYS A 106 54.389 7.671 -10.272 1.00 1.58 H new ATOM 0 HE2 LYS A 106 55.380 5.127 -10.933 1.00 2.00 H new ATOM 0 HE3 LYS A 106 54.189 4.753 -9.702 1.00 2.00 H new ATOM 0 HZ1 LYS A 106 53.140 4.985 -11.896 1.00 2.79 H new ATOM 0 HZ2 LYS A 106 52.588 6.204 -10.851 1.00 2.79 H new ATOM 0 HZ3 LYS A 106 53.741 6.566 -12.043 1.00 2.79 H new ATOM 346 N ASN A 107 59.984 6.672 -9.345 1.00 0.53 N ATOM 347 CA ASN A 107 60.932 7.659 -9.937 1.00 0.59 C ATOM 348 C ASN A 107 61.778 6.989 -11.023 1.00 0.60 C ATOM 349 O ASN A 107 62.134 7.597 -12.012 1.00 0.71 O ATOM 350 CB ASN A 107 61.814 8.110 -8.773 1.00 0.62 C ATOM 351 CG ASN A 107 61.905 9.638 -8.762 1.00 1.10 C ATOM 352 OD1 ASN A 107 61.809 10.294 -9.886 1.00 1.50 O flip ATOM 353 ND2 ASN A 107 62.067 10.240 -7.719 1.00 1.67 N flip ATOM 0 H ASN A 107 60.184 6.400 -8.382 1.00 0.53 H new ATOM 0 HA ASN A 107 60.417 8.498 -10.405 1.00 0.59 H new ATOM 0 HB2 ASN A 107 61.400 7.753 -7.830 1.00 0.62 H new ATOM 0 HB3 ASN A 107 62.810 7.677 -8.868 1.00 0.62 H new ATOM 0 HD21 ASN A 107 62.142 9.727 -6.840 1.00 1.67 H new ATOM 0 HD22 ASN A 107 62.128 11.258 -7.722 1.00 1.67 H new ATOM 360 N ALA A 108 62.102 5.736 -10.845 1.00 0.56 N ATOM 361 CA ALA A 108 62.924 5.026 -11.867 1.00 0.62 C ATOM 362 C ALA A 108 64.279 5.718 -12.030 1.00 0.64 C ATOM 363 O ALA A 108 64.770 5.892 -13.128 1.00 0.78 O ATOM 364 CB ALA A 108 62.114 5.119 -13.160 1.00 0.72 C ATOM 0 H ALA A 108 61.833 5.174 -10.037 1.00 0.56 H new ATOM 0 HA ALA A 108 63.128 3.992 -11.588 1.00 0.62 H new ATOM 0 HB1 ALA A 108 62.653 4.618 -13.964 1.00 0.72 H new ATOM 0 HB2 ALA A 108 61.146 4.639 -13.018 1.00 0.72 H new ATOM 0 HB3 ALA A 108 61.965 6.167 -13.421 1.00 0.72 H new ATOM 370 N ASP A 109 64.887 6.116 -10.946 1.00 0.57 N ATOM 371 CA ASP A 109 66.209 6.798 -11.040 1.00 0.63 C ATOM 372 C ASP A 109 67.266 6.017 -10.254 1.00 0.63 C ATOM 373 O ASP A 109 68.447 6.289 -10.342 1.00 0.76 O ATOM 374 CB ASP A 109 65.988 8.177 -10.418 1.00 0.62 C ATOM 375 CG ASP A 109 65.850 8.038 -8.901 1.00 0.70 C ATOM 376 OD1 ASP A 109 64.892 7.420 -8.467 1.00 0.75 O ATOM 377 OD2 ASP A 109 66.705 8.551 -8.198 1.00 1.20 O ATOM 0 H ASP A 109 64.526 5.998 -9.999 1.00 0.57 H new ATOM 0 HA ASP A 109 66.566 6.867 -12.068 1.00 0.63 H new ATOM 0 HB2 ASP A 109 66.824 8.834 -10.659 1.00 0.62 H new ATOM 0 HB3 ASP A 109 65.091 8.636 -10.835 1.00 0.62 H new ATOM 382 N GLY A 110 66.852 5.046 -9.486 1.00 0.58 N ATOM 383 CA GLY A 110 67.834 4.249 -8.697 1.00 0.62 C ATOM 384 C GLY A 110 67.532 4.396 -7.204 1.00 0.54 C ATOM 385 O GLY A 110 67.728 3.482 -6.428 1.00 0.57 O ATOM 0 H GLY A 110 65.877 4.770 -9.371 1.00 0.58 H new ATOM 0 HA2 GLY A 110 67.783 3.200 -8.987 1.00 0.62 H new ATOM 0 HA3 GLY A 110 68.848 4.589 -8.909 1.00 0.62 H new ATOM 389 N TYR A 111 67.052 5.539 -6.797 1.00 0.50 N ATOM 390 CA TYR A 111 66.733 5.744 -5.355 1.00 0.48 C ATOM 391 C TYR A 111 65.252 6.094 -5.190 1.00 0.42 C ATOM 392 O TYR A 111 64.576 6.435 -6.142 1.00 0.52 O ATOM 393 CB TYR A 111 67.615 6.914 -4.919 1.00 0.52 C ATOM 394 CG TYR A 111 69.065 6.569 -5.159 1.00 0.60 C ATOM 395 CD1 TYR A 111 69.587 6.600 -6.458 1.00 1.36 C ATOM 396 CD2 TYR A 111 69.891 6.220 -4.082 1.00 1.38 C ATOM 397 CE1 TYR A 111 70.932 6.280 -6.681 1.00 1.40 C ATOM 398 CE2 TYR A 111 71.235 5.902 -4.304 1.00 1.46 C ATOM 399 CZ TYR A 111 71.756 5.931 -5.604 1.00 0.83 C ATOM 400 OH TYR A 111 73.082 5.617 -5.824 1.00 0.97 O ATOM 0 H TYR A 111 66.867 6.340 -7.400 1.00 0.50 H new ATOM 0 HA TYR A 111 66.917 4.852 -4.757 1.00 0.48 H new ATOM 0 HB2 TYR A 111 67.347 7.812 -5.475 1.00 0.52 H new ATOM 0 HB3 TYR A 111 67.452 7.132 -3.864 1.00 0.52 H new ATOM 0 HD1 TYR A 111 68.952 6.871 -7.288 1.00 1.36 H new ATOM 0 HD2 TYR A 111 69.490 6.197 -3.080 1.00 1.38 H new ATOM 0 HE1 TYR A 111 71.334 6.302 -7.683 1.00 1.40 H new ATOM 0 HE2 TYR A 111 71.871 5.634 -3.473 1.00 1.46 H new ATOM 0 HH TYR A 111 73.512 5.399 -4.971 1.00 0.97 H new ATOM 410 N ILE A 112 64.738 6.012 -3.994 1.00 0.36 N ATOM 411 CA ILE A 112 63.298 6.338 -3.780 1.00 0.32 C ATOM 412 C ILE A 112 63.136 7.397 -2.693 1.00 0.35 C ATOM 413 O ILE A 112 63.928 7.498 -1.779 1.00 0.43 O ATOM 414 CB ILE A 112 62.654 5.035 -3.343 1.00 0.32 C ATOM 415 CG1 ILE A 112 63.103 3.933 -4.310 1.00 0.40 C ATOM 416 CG2 ILE A 112 61.128 5.210 -3.375 1.00 0.35 C ATOM 417 CD1 ILE A 112 61.991 2.909 -4.512 1.00 0.46 C ATOM 0 H ILE A 112 65.250 5.734 -3.157 1.00 0.36 H new ATOM 0 HA ILE A 112 62.840 6.742 -4.683 1.00 0.32 H new ATOM 0 HB ILE A 112 62.952 4.762 -2.331 1.00 0.32 H new ATOM 0 HG12 ILE A 112 63.378 4.373 -5.269 1.00 0.40 H new ATOM 0 HG13 ILE A 112 63.993 3.439 -3.919 1.00 0.40 H new ATOM 0 HG21 ILE A 112 60.649 4.282 -3.063 1.00 0.35 H new ATOM 0 HG22 ILE A 112 60.840 6.013 -2.697 1.00 0.35 H new ATOM 0 HG23 ILE A 112 60.812 5.460 -4.388 1.00 0.35 H new ATOM 0 HD11 ILE A 112 62.329 2.136 -5.201 1.00 0.46 H new ATOM 0 HD12 ILE A 112 61.736 2.455 -3.554 1.00 0.46 H new ATOM 0 HD13 ILE A 112 61.112 3.403 -4.925 1.00 0.46 H new ATOM 429 N ASP A 113 62.102 8.178 -2.780 1.00 0.36 N ATOM 430 CA ASP A 113 61.867 9.229 -1.747 1.00 0.44 C ATOM 431 C ASP A 113 60.578 8.927 -0.979 1.00 0.44 C ATOM 432 O ASP A 113 59.799 8.082 -1.368 1.00 0.60 O ATOM 433 CB ASP A 113 61.746 10.548 -2.518 1.00 0.56 C ATOM 434 CG ASP A 113 60.954 10.331 -3.809 1.00 0.94 C ATOM 435 OD1 ASP A 113 59.928 9.677 -3.749 1.00 1.53 O ATOM 436 OD2 ASP A 113 61.387 10.827 -4.836 1.00 1.58 O ATOM 0 H ASP A 113 61.404 8.137 -3.523 1.00 0.36 H new ATOM 0 HA ASP A 113 62.673 9.272 -1.015 1.00 0.44 H new ATOM 0 HB2 ASP A 113 61.250 11.296 -1.899 1.00 0.56 H new ATOM 0 HB3 ASP A 113 62.738 10.934 -2.751 1.00 0.56 H new ATOM 441 N LEU A 114 60.353 9.601 0.114 1.00 0.47 N ATOM 442 CA LEU A 114 59.118 9.342 0.912 1.00 0.47 C ATOM 443 C LEU A 114 57.870 9.457 0.030 1.00 0.50 C ATOM 444 O LEU A 114 56.812 8.968 0.374 1.00 0.52 O ATOM 445 CB LEU A 114 59.112 10.424 1.993 1.00 0.57 C ATOM 446 CG LEU A 114 58.455 9.874 3.260 1.00 0.68 C ATOM 447 CD1 LEU A 114 58.511 10.929 4.367 1.00 1.36 C ATOM 448 CD2 LEU A 114 56.994 9.526 2.964 1.00 1.57 C ATOM 0 H LEU A 114 60.970 10.321 0.491 1.00 0.47 H new ATOM 0 HA LEU A 114 59.109 8.338 1.336 1.00 0.47 H new ATOM 0 HB2 LEU A 114 60.132 10.744 2.208 1.00 0.57 H new ATOM 0 HB3 LEU A 114 58.570 11.302 1.641 1.00 0.57 H new ATOM 0 HG LEU A 114 58.987 8.980 3.585 1.00 0.68 H new ATOM 0 HD11 LEU A 114 58.042 10.535 5.269 1.00 1.36 H new ATOM 0 HD12 LEU A 114 59.550 11.180 4.578 1.00 1.36 H new ATOM 0 HD13 LEU A 114 57.980 11.824 4.044 1.00 1.36 H new ATOM 0 HD21 LEU A 114 56.524 9.134 3.866 1.00 1.57 H new ATOM 0 HD22 LEU A 114 56.465 10.422 2.639 1.00 1.57 H new ATOM 0 HD23 LEU A 114 56.952 8.774 2.176 1.00 1.57 H new ATOM 460 N GLU A 115 57.980 10.102 -1.098 1.00 0.56 N ATOM 461 CA GLU A 115 56.792 10.247 -1.991 1.00 0.64 C ATOM 462 C GLU A 115 56.496 8.929 -2.712 1.00 0.56 C ATOM 463 O GLU A 115 55.355 8.575 -2.934 1.00 0.61 O ATOM 464 CB GLU A 115 57.182 11.332 -2.996 1.00 0.77 C ATOM 465 CG GLU A 115 56.015 11.586 -3.951 1.00 1.54 C ATOM 466 CD GLU A 115 56.551 12.095 -5.291 1.00 2.04 C ATOM 467 OE1 GLU A 115 57.699 12.505 -5.330 1.00 2.45 O ATOM 468 OE2 GLU A 115 55.803 12.067 -6.255 1.00 2.67 O ATOM 0 H GLU A 115 58.838 10.535 -1.441 1.00 0.56 H new ATOM 0 HA GLU A 115 55.892 10.508 -1.435 1.00 0.64 H new ATOM 0 HB2 GLU A 115 57.443 12.251 -2.472 1.00 0.77 H new ATOM 0 HB3 GLU A 115 58.064 11.023 -3.557 1.00 0.77 H new ATOM 0 HG2 GLU A 115 55.447 10.668 -4.100 1.00 1.54 H new ATOM 0 HG3 GLU A 115 55.331 12.317 -3.520 1.00 1.54 H new ATOM 475 N GLU A 116 57.513 8.203 -3.084 1.00 0.49 N ATOM 476 CA GLU A 116 57.289 6.910 -3.794 1.00 0.45 C ATOM 477 C GLU A 116 57.078 5.778 -2.786 1.00 0.43 C ATOM 478 O GLU A 116 56.312 4.863 -3.017 1.00 0.51 O ATOM 479 CB GLU A 116 58.567 6.679 -4.602 1.00 0.42 C ATOM 480 CG GLU A 116 58.703 7.769 -5.666 1.00 0.94 C ATOM 481 CD GLU A 116 60.181 8.120 -5.851 1.00 0.85 C ATOM 482 OE1 GLU A 116 61.011 7.290 -5.524 1.00 1.43 O ATOM 483 OE2 GLU A 116 60.456 9.214 -6.316 1.00 1.28 O ATOM 0 H GLU A 116 58.491 8.448 -2.928 1.00 0.49 H new ATOM 0 HA GLU A 116 56.403 6.935 -4.428 1.00 0.45 H new ATOM 0 HB2 GLU A 116 59.434 6.691 -3.942 1.00 0.42 H new ATOM 0 HB3 GLU A 116 58.539 5.697 -5.074 1.00 0.42 H new ATOM 0 HG2 GLU A 116 58.279 7.426 -6.610 1.00 0.94 H new ATOM 0 HG3 GLU A 116 58.142 8.655 -5.368 1.00 0.94 H new ATOM 490 N LEU A 117 57.750 5.832 -1.669 1.00 0.37 N ATOM 491 CA LEU A 117 57.587 4.759 -0.648 1.00 0.42 C ATOM 492 C LEU A 117 56.155 4.759 -0.108 1.00 0.50 C ATOM 493 O LEU A 117 55.563 3.721 0.112 1.00 0.58 O ATOM 494 CB LEU A 117 58.579 5.115 0.460 1.00 0.43 C ATOM 495 CG LEU A 117 59.003 3.841 1.194 1.00 0.61 C ATOM 496 CD1 LEU A 117 60.406 4.028 1.776 1.00 0.90 C ATOM 497 CD2 LEU A 117 58.016 3.557 2.327 1.00 1.53 C ATOM 0 H LEU A 117 58.405 6.573 -1.419 1.00 0.37 H new ATOM 0 HA LEU A 117 57.772 3.766 -1.057 1.00 0.42 H new ATOM 0 HB2 LEU A 117 59.452 5.611 0.036 1.00 0.43 H new ATOM 0 HB3 LEU A 117 58.123 5.816 1.159 1.00 0.43 H new ATOM 0 HG LEU A 117 59.009 3.004 0.496 1.00 0.61 H new ATOM 0 HD11 LEU A 117 60.707 3.120 2.299 1.00 0.90 H new ATOM 0 HD12 LEU A 117 61.110 4.233 0.970 1.00 0.90 H new ATOM 0 HD13 LEU A 117 60.401 4.864 2.475 1.00 0.90 H new ATOM 0 HD21 LEU A 117 58.316 2.650 2.852 1.00 1.53 H new ATOM 0 HD22 LEU A 117 58.012 4.395 3.024 1.00 1.53 H new ATOM 0 HD23 LEU A 117 57.016 3.424 1.914 1.00 1.53 H new ATOM 509 N LYS A 118 55.593 5.917 0.105 1.00 0.52 N ATOM 510 CA LYS A 118 54.199 5.983 0.628 1.00 0.63 C ATOM 511 C LYS A 118 53.245 5.266 -0.331 1.00 0.71 C ATOM 512 O LYS A 118 52.220 4.750 0.067 1.00 0.83 O ATOM 513 CB LYS A 118 53.871 7.475 0.700 1.00 0.68 C ATOM 514 CG LYS A 118 54.041 8.104 -0.684 1.00 1.05 C ATOM 515 CD LYS A 118 53.237 9.404 -0.756 1.00 1.33 C ATOM 516 CE LYS A 118 53.709 10.358 0.345 1.00 1.49 C ATOM 517 NZ LYS A 118 53.497 11.726 -0.207 1.00 1.82 N ATOM 0 H LYS A 118 56.038 6.820 -0.060 1.00 0.52 H new ATOM 0 HA LYS A 118 54.097 5.499 1.600 1.00 0.63 H new ATOM 0 HB2 LYS A 118 52.849 7.617 1.052 1.00 0.68 H new ATOM 0 HB3 LYS A 118 54.527 7.968 1.418 1.00 0.68 H new ATOM 0 HG2 LYS A 118 55.095 8.305 -0.877 1.00 1.05 H new ATOM 0 HG3 LYS A 118 53.702 7.411 -1.454 1.00 1.05 H new ATOM 0 HD2 LYS A 118 53.364 9.869 -1.734 1.00 1.33 H new ATOM 0 HD3 LYS A 118 52.174 9.194 -0.639 1.00 1.33 H new ATOM 0 HE2 LYS A 118 53.141 10.211 1.263 1.00 1.49 H new ATOM 0 HE3 LYS A 118 54.758 10.190 0.589 1.00 1.49 H new ATOM 0 HZ1 LYS A 118 53.799 12.433 0.493 1.00 1.82 H new ATOM 0 HZ2 LYS A 118 54.056 11.840 -1.077 1.00 1.82 H new ATOM 0 HZ3 LYS A 118 52.489 11.861 -0.423 1.00 1.82 H new ATOM 531 N ILE A 119 53.577 5.225 -1.591 1.00 0.72 N ATOM 532 CA ILE A 119 52.692 4.537 -2.574 1.00 0.84 C ATOM 533 C ILE A 119 52.944 3.028 -2.534 1.00 0.86 C ATOM 534 O ILE A 119 52.043 2.232 -2.710 1.00 0.96 O ATOM 535 CB ILE A 119 53.084 5.112 -3.933 1.00 0.93 C ATOM 536 CG1 ILE A 119 52.813 6.618 -3.944 1.00 1.00 C ATOM 537 CG2 ILE A 119 52.259 4.436 -5.030 1.00 1.06 C ATOM 538 CD1 ILE A 119 52.980 7.158 -5.365 1.00 1.08 C ATOM 0 H ILE A 119 54.423 5.638 -1.984 1.00 0.72 H new ATOM 0 HA ILE A 119 51.634 4.691 -2.361 1.00 0.84 H new ATOM 0 HB ILE A 119 54.144 4.931 -4.114 1.00 0.93 H new ATOM 0 HG12 ILE A 119 51.804 6.819 -3.584 1.00 1.00 H new ATOM 0 HG13 ILE A 119 53.500 7.126 -3.268 1.00 1.00 H new ATOM 0 HG21 ILE A 119 52.538 4.846 -6.000 1.00 1.06 H new ATOM 0 HG22 ILE A 119 52.451 3.363 -5.021 1.00 1.06 H new ATOM 0 HG23 ILE A 119 51.199 4.616 -4.851 1.00 1.06 H new ATOM 0 HD11 ILE A 119 52.787 8.231 -5.372 1.00 1.08 H new ATOM 0 HD12 ILE A 119 53.997 6.970 -5.708 1.00 1.08 H new ATOM 0 HD13 ILE A 119 52.275 6.658 -6.029 1.00 1.08 H new ATOM 550 N MET A 120 54.164 2.629 -2.299 1.00 0.82 N ATOM 551 CA MET A 120 54.472 1.172 -2.242 1.00 0.92 C ATOM 552 C MET A 120 53.573 0.493 -1.204 1.00 0.92 C ATOM 553 O MET A 120 53.148 -0.632 -1.376 1.00 1.01 O ATOM 554 CB MET A 120 55.941 1.096 -1.824 1.00 0.96 C ATOM 555 CG MET A 120 56.254 -0.303 -1.288 1.00 1.50 C ATOM 556 SD MET A 120 58.046 -0.551 -1.263 1.00 2.13 S ATOM 557 CE MET A 120 58.375 0.310 0.294 1.00 2.73 C ATOM 0 H MET A 120 54.960 3.248 -2.144 1.00 0.82 H new ATOM 0 HA MET A 120 54.298 0.667 -3.192 1.00 0.92 H new ATOM 0 HB2 MET A 120 56.583 1.322 -2.675 1.00 0.96 H new ATOM 0 HB3 MET A 120 56.151 1.844 -1.059 1.00 0.96 H new ATOM 0 HG2 MET A 120 55.846 -0.419 -0.284 1.00 1.50 H new ATOM 0 HG3 MET A 120 55.780 -1.059 -1.914 1.00 1.50 H new ATOM 0 HE1 MET A 120 59.386 0.716 0.279 1.00 2.73 H new ATOM 0 HE2 MET A 120 57.660 1.123 0.418 1.00 2.73 H new ATOM 0 HE3 MET A 120 58.277 -0.389 1.124 1.00 2.73 H new ATOM 567 N LEU A 121 53.280 1.174 -0.131 1.00 0.88 N ATOM 568 CA LEU A 121 52.404 0.577 0.918 1.00 0.96 C ATOM 569 C LEU A 121 50.984 0.414 0.379 1.00 0.99 C ATOM 570 O LEU A 121 50.305 -0.550 0.672 1.00 1.12 O ATOM 571 CB LEU A 121 52.409 1.583 2.066 1.00 0.98 C ATOM 572 CG LEU A 121 53.836 2.077 2.337 1.00 1.19 C ATOM 573 CD1 LEU A 121 53.895 2.716 3.726 1.00 1.51 C ATOM 574 CD2 LEU A 121 54.812 0.898 2.284 1.00 1.81 C ATOM 0 H LEU A 121 53.609 2.119 0.066 1.00 0.88 H new ATOM 0 HA LEU A 121 52.754 -0.406 1.232 1.00 0.96 H new ATOM 0 HB2 LEU A 121 51.765 2.428 1.821 1.00 0.98 H new ATOM 0 HB3 LEU A 121 52.000 1.121 2.965 1.00 0.98 H new ATOM 0 HG LEU A 121 54.113 2.810 1.579 1.00 1.19 H new ATOM 0 HD11 LEU A 121 54.908 3.068 3.922 1.00 1.51 H new ATOM 0 HD12 LEU A 121 53.204 3.558 3.769 1.00 1.51 H new ATOM 0 HD13 LEU A 121 53.616 1.978 4.478 1.00 1.51 H new ATOM 0 HD21 LEU A 121 55.824 1.254 2.477 1.00 1.81 H new ATOM 0 HD22 LEU A 121 54.536 0.163 3.040 1.00 1.81 H new ATOM 0 HD23 LEU A 121 54.772 0.437 1.297 1.00 1.81 H new ATOM 586 N GLN A 122 50.530 1.352 -0.408 1.00 0.95 N ATOM 587 CA GLN A 122 49.155 1.248 -0.969 1.00 1.05 C ATOM 588 C GLN A 122 49.078 0.039 -1.898 1.00 1.12 C ATOM 589 O GLN A 122 48.061 -0.616 -2.002 1.00 1.24 O ATOM 590 CB GLN A 122 48.944 2.545 -1.750 1.00 1.07 C ATOM 591 CG GLN A 122 47.969 3.442 -0.988 1.00 1.49 C ATOM 592 CD GLN A 122 47.854 4.794 -1.694 1.00 1.51 C ATOM 593 OE1 GLN A 122 46.999 4.982 -2.536 1.00 2.24 O ATOM 594 NE2 GLN A 122 48.685 5.750 -1.383 1.00 1.52 N ATOM 0 H GLN A 122 51.052 2.184 -0.685 1.00 0.95 H new ATOM 0 HA GLN A 122 48.394 1.117 -0.200 1.00 1.05 H new ATOM 0 HB2 GLN A 122 49.896 3.058 -1.888 1.00 1.07 H new ATOM 0 HB3 GLN A 122 48.553 2.325 -2.743 1.00 1.07 H new ATOM 0 HG2 GLN A 122 46.990 2.966 -0.931 1.00 1.49 H new ATOM 0 HG3 GLN A 122 48.314 3.584 0.036 1.00 1.49 H new ATOM 0 HE21 GLN A 122 49.403 5.592 -0.676 1.00 1.52 H new ATOM 0 HE22 GLN A 122 48.617 6.656 -1.847 1.00 1.52 H new ATOM 603 N ALA A 123 50.157 -0.270 -2.562 1.00 1.11 N ATOM 604 CA ALA A 123 50.158 -1.447 -3.471 1.00 1.26 C ATOM 605 C ALA A 123 50.082 -2.727 -2.640 1.00 1.39 C ATOM 606 O ALA A 123 49.774 -3.791 -3.141 1.00 1.55 O ATOM 607 CB ALA A 123 51.485 -1.369 -4.226 1.00 1.31 C ATOM 0 H ALA A 123 51.038 0.242 -2.514 1.00 1.11 H new ATOM 0 HA ALA A 123 49.310 -1.452 -4.156 1.00 1.26 H new ATOM 0 HB1 ALA A 123 51.559 -2.207 -4.919 1.00 1.31 H new ATOM 0 HB2 ALA A 123 51.532 -0.433 -4.783 1.00 1.31 H new ATOM 0 HB3 ALA A 123 52.311 -1.411 -3.516 1.00 1.31 H new ATOM 682 N THR A 129 47.653 7.210 6.018 1.00 1.18 N ATOM 683 CA THR A 129 47.846 8.689 6.027 1.00 1.21 C ATOM 684 C THR A 129 49.337 9.030 6.096 1.00 1.10 C ATOM 685 O THR A 129 50.183 8.158 6.127 1.00 1.04 O ATOM 686 CB THR A 129 47.126 9.174 7.286 1.00 1.37 C ATOM 687 OG1 THR A 129 47.405 8.289 8.361 1.00 1.63 O ATOM 688 CG2 THR A 129 45.617 9.211 7.029 1.00 1.63 C ATOM 0 HA THR A 129 47.455 9.161 5.126 1.00 1.21 H new ATOM 0 HB THR A 129 47.474 10.175 7.542 1.00 1.37 H new ATOM 0 HG1 THR A 129 47.505 7.377 8.016 1.00 1.63 H new ATOM 0 HG21 THR A 129 45.103 9.557 7.926 1.00 1.63 H new ATOM 0 HG22 THR A 129 45.405 9.892 6.205 1.00 1.63 H new ATOM 0 HG23 THR A 129 45.267 8.211 6.773 1.00 1.63 H new ATOM 696 N GLU A 130 49.665 10.294 6.123 1.00 1.13 N ATOM 697 CA GLU A 130 51.100 10.691 6.192 1.00 1.09 C ATOM 698 C GLU A 130 51.652 10.422 7.593 1.00 1.03 C ATOM 699 O GLU A 130 52.845 10.455 7.819 1.00 0.98 O ATOM 700 CB GLU A 130 51.113 12.191 5.889 1.00 1.23 C ATOM 701 CG GLU A 130 52.426 12.562 5.198 1.00 1.68 C ATOM 702 CD GLU A 130 52.406 14.047 4.829 1.00 2.20 C ATOM 703 OE1 GLU A 130 52.156 14.852 5.712 1.00 2.66 O ATOM 704 OE2 GLU A 130 52.641 14.354 3.672 1.00 2.77 O ATOM 0 H GLU A 130 49.001 11.068 6.100 1.00 1.13 H new ATOM 0 HA GLU A 130 51.719 10.130 5.492 1.00 1.09 H new ATOM 0 HB2 GLU A 130 50.268 12.451 5.251 1.00 1.23 H new ATOM 0 HB3 GLU A 130 51.002 12.760 6.812 1.00 1.23 H new ATOM 0 HG2 GLU A 130 53.268 12.351 5.857 1.00 1.68 H new ATOM 0 HG3 GLU A 130 52.562 11.956 4.303 1.00 1.68 H new ATOM 711 N ASP A 131 50.790 10.154 8.537 1.00 1.08 N ATOM 712 CA ASP A 131 51.264 9.881 9.924 1.00 1.10 C ATOM 713 C ASP A 131 51.961 8.521 9.983 1.00 0.95 C ATOM 714 O ASP A 131 53.064 8.399 10.478 1.00 0.88 O ATOM 715 CB ASP A 131 49.996 9.867 10.780 1.00 1.27 C ATOM 716 CG ASP A 131 49.299 11.225 10.682 1.00 1.65 C ATOM 717 OD1 ASP A 131 48.701 11.490 9.653 1.00 2.28 O ATOM 718 OD2 ASP A 131 49.374 11.977 11.640 1.00 2.09 O ATOM 0 H ASP A 131 49.779 10.112 8.408 1.00 1.08 H new ATOM 0 HA ASP A 131 51.982 10.625 10.269 1.00 1.10 H new ATOM 0 HB2 ASP A 131 49.325 9.077 10.442 1.00 1.27 H new ATOM 0 HB3 ASP A 131 50.248 9.650 11.818 1.00 1.27 H new ATOM 723 N ASP A 132 51.327 7.497 9.481 1.00 0.96 N ATOM 724 CA ASP A 132 51.955 6.146 9.508 1.00 0.88 C ATOM 725 C ASP A 132 53.212 6.132 8.635 1.00 0.76 C ATOM 726 O ASP A 132 54.174 5.452 8.929 1.00 0.72 O ATOM 727 CB ASP A 132 50.894 5.204 8.939 1.00 0.99 C ATOM 728 CG ASP A 132 50.155 4.515 10.088 1.00 1.31 C ATOM 729 OD1 ASP A 132 50.666 3.526 10.586 1.00 1.70 O ATOM 730 OD2 ASP A 132 49.090 4.989 10.451 1.00 1.95 O ATOM 0 H ASP A 132 50.402 7.537 9.054 1.00 0.96 H new ATOM 0 HA ASP A 132 52.262 5.852 10.512 1.00 0.88 H new ATOM 0 HB2 ASP A 132 50.190 5.762 8.322 1.00 0.99 H new ATOM 0 HB3 ASP A 132 51.361 4.459 8.295 1.00 0.99 H new ATOM 735 N ILE A 133 53.210 6.878 7.565 1.00 0.78 N ATOM 736 CA ILE A 133 54.406 6.906 6.674 1.00 0.73 C ATOM 737 C ILE A 133 55.436 7.910 7.200 1.00 0.66 C ATOM 738 O ILE A 133 56.596 7.867 6.842 1.00 0.63 O ATOM 739 CB ILE A 133 53.871 7.348 5.313 1.00 0.84 C ATOM 740 CG1 ILE A 133 52.771 6.385 4.861 1.00 0.91 C ATOM 741 CG2 ILE A 133 55.008 7.339 4.290 1.00 1.14 C ATOM 742 CD1 ILE A 133 52.267 6.798 3.477 1.00 0.96 C ATOM 0 H ILE A 133 52.433 7.469 7.269 1.00 0.78 H new ATOM 0 HA ILE A 133 54.907 5.939 6.622 1.00 0.73 H new ATOM 0 HB ILE A 133 53.463 8.355 5.393 1.00 0.84 H new ATOM 0 HG12 ILE A 133 53.156 5.366 4.830 1.00 0.91 H new ATOM 0 HG13 ILE A 133 51.949 6.394 5.577 1.00 0.91 H new ATOM 0 HG21 ILE A 133 54.626 7.654 3.319 1.00 1.14 H new ATOM 0 HG22 ILE A 133 55.792 8.024 4.612 1.00 1.14 H new ATOM 0 HG23 ILE A 133 55.417 6.332 4.209 1.00 1.14 H new ATOM 0 HD11 ILE A 133 51.484 6.112 3.155 1.00 0.96 H new ATOM 0 HD12 ILE A 133 51.866 7.811 3.523 1.00 0.96 H new ATOM 0 HD13 ILE A 133 53.092 6.766 2.765 1.00 0.96 H new ATOM 754 N GLU A 134 55.020 8.813 8.045 1.00 0.73 N ATOM 755 CA GLU A 134 55.976 9.818 8.592 1.00 0.77 C ATOM 756 C GLU A 134 57.069 9.121 9.407 1.00 0.70 C ATOM 757 O GLU A 134 58.236 9.436 9.296 1.00 0.68 O ATOM 758 CB GLU A 134 55.131 10.720 9.491 1.00 0.96 C ATOM 759 CG GLU A 134 54.901 12.064 8.798 1.00 0.95 C ATOM 760 CD GLU A 134 55.277 13.202 9.750 1.00 1.60 C ATOM 761 OE1 GLU A 134 56.217 13.027 10.507 1.00 2.27 O ATOM 762 OE2 GLU A 134 54.618 14.227 9.705 1.00 2.07 O ATOM 0 H GLU A 134 54.060 8.899 8.380 1.00 0.73 H new ATOM 0 HA GLU A 134 56.478 10.381 7.805 1.00 0.77 H new ATOM 0 HB2 GLU A 134 54.175 10.243 9.707 1.00 0.96 H new ATOM 0 HB3 GLU A 134 55.634 10.873 10.446 1.00 0.96 H new ATOM 0 HG2 GLU A 134 55.500 12.123 7.889 1.00 0.95 H new ATOM 0 HG3 GLU A 134 53.857 12.157 8.498 1.00 0.95 H new ATOM 769 N GLU A 135 56.698 8.175 10.225 1.00 0.74 N ATOM 770 CA GLU A 135 57.716 7.459 11.047 1.00 0.76 C ATOM 771 C GLU A 135 58.336 6.315 10.240 1.00 0.66 C ATOM 772 O GLU A 135 59.375 5.789 10.587 1.00 0.74 O ATOM 773 CB GLU A 135 56.944 6.911 12.247 1.00 0.88 C ATOM 774 CG GLU A 135 56.989 7.927 13.388 1.00 1.20 C ATOM 775 CD GLU A 135 55.877 8.961 13.197 1.00 1.48 C ATOM 776 OE1 GLU A 135 54.821 8.584 12.717 1.00 1.95 O ATOM 777 OE2 GLU A 135 56.102 10.112 13.532 1.00 2.16 O ATOM 0 H GLU A 135 55.735 7.866 10.360 1.00 0.74 H new ATOM 0 HA GLU A 135 58.533 8.112 11.353 1.00 0.76 H new ATOM 0 HB2 GLU A 135 55.910 6.709 11.966 1.00 0.88 H new ATOM 0 HB3 GLU A 135 57.378 5.965 12.571 1.00 0.88 H new ATOM 0 HG2 GLU A 135 56.868 7.420 14.345 1.00 1.20 H new ATOM 0 HG3 GLU A 135 57.960 8.422 13.410 1.00 1.20 H new ATOM 784 N LEU A 136 57.708 5.928 9.164 1.00 0.62 N ATOM 785 CA LEU A 136 58.263 4.820 8.335 1.00 0.66 C ATOM 786 C LEU A 136 59.570 5.263 7.673 1.00 0.61 C ATOM 787 O LEU A 136 60.633 4.758 7.977 1.00 0.70 O ATOM 788 CB LEU A 136 57.193 4.546 7.278 1.00 0.77 C ATOM 789 CG LEU A 136 57.490 3.215 6.586 1.00 0.86 C ATOM 790 CD1 LEU A 136 57.107 2.060 7.512 1.00 1.63 C ATOM 791 CD2 LEU A 136 56.675 3.122 5.294 1.00 1.38 C ATOM 0 H LEU A 136 56.835 6.331 8.823 1.00 0.62 H new ATOM 0 HA LEU A 136 58.490 3.932 8.926 1.00 0.66 H new ATOM 0 HB2 LEU A 136 56.207 4.515 7.742 1.00 0.77 H new ATOM 0 HB3 LEU A 136 57.175 5.353 6.546 1.00 0.77 H new ATOM 0 HG LEU A 136 58.553 3.156 6.353 1.00 0.86 H new ATOM 0 HD11 LEU A 136 57.319 1.112 7.018 1.00 1.63 H new ATOM 0 HD12 LEU A 136 57.685 2.126 8.434 1.00 1.63 H new ATOM 0 HD13 LEU A 136 56.044 2.118 7.745 1.00 1.63 H new ATOM 0 HD21 LEU A 136 56.885 2.174 4.799 1.00 1.38 H new ATOM 0 HD22 LEU A 136 55.612 3.181 5.529 1.00 1.38 H new ATOM 0 HD23 LEU A 136 56.946 3.945 4.633 1.00 1.38 H new ATOM 803 N MET A 137 59.501 6.205 6.773 1.00 0.55 N ATOM 804 CA MET A 137 60.737 6.683 6.094 1.00 0.59 C ATOM 805 C MET A 137 61.687 7.316 7.116 1.00 0.65 C ATOM 806 O MET A 137 62.847 7.549 6.840 1.00 0.81 O ATOM 807 CB MET A 137 60.252 7.728 5.087 1.00 0.60 C ATOM 808 CG MET A 137 61.429 8.595 4.635 1.00 0.96 C ATOM 809 SD MET A 137 62.780 7.531 4.068 1.00 1.23 S ATOM 810 CE MET A 137 62.385 7.584 2.302 1.00 1.35 C ATOM 0 H MET A 137 58.640 6.665 6.478 1.00 0.55 H new ATOM 0 HA MET A 137 61.286 5.876 5.610 1.00 0.59 H new ATOM 0 HB2 MET A 137 59.800 7.235 4.226 1.00 0.60 H new ATOM 0 HB3 MET A 137 59.481 8.352 5.539 1.00 0.60 H new ATOM 0 HG2 MET A 137 61.116 9.262 3.832 1.00 0.96 H new ATOM 0 HG3 MET A 137 61.768 9.224 5.458 1.00 0.96 H new ATOM 0 HE1 MET A 137 61.979 6.621 1.991 1.00 1.35 H new ATOM 0 HE2 MET A 137 61.648 8.365 2.117 1.00 1.35 H new ATOM 0 HE3 MET A 137 63.290 7.798 1.733 1.00 1.35 H new ATOM 820 N LYS A 138 61.203 7.596 8.295 1.00 0.62 N ATOM 821 CA LYS A 138 62.079 8.214 9.332 1.00 0.79 C ATOM 822 C LYS A 138 63.231 7.268 9.681 1.00 0.86 C ATOM 823 O LYS A 138 64.386 7.569 9.451 1.00 1.16 O ATOM 824 CB LYS A 138 61.172 8.425 10.544 1.00 0.87 C ATOM 825 CG LYS A 138 61.579 9.710 11.266 1.00 1.55 C ATOM 826 CD LYS A 138 60.890 10.906 10.606 1.00 2.07 C ATOM 827 CE LYS A 138 60.750 12.040 11.623 1.00 2.85 C ATOM 828 NZ LYS A 138 59.956 13.088 10.923 1.00 3.36 N ATOM 0 H LYS A 138 60.240 7.424 8.585 1.00 0.62 H new ATOM 0 HA LYS A 138 62.526 9.148 8.992 1.00 0.79 H new ATOM 0 HB2 LYS A 138 60.131 8.487 10.227 1.00 0.87 H new ATOM 0 HB3 LYS A 138 61.248 7.575 11.221 1.00 0.87 H new ATOM 0 HG2 LYS A 138 61.301 9.652 12.318 1.00 1.55 H new ATOM 0 HG3 LYS A 138 62.661 9.834 11.228 1.00 1.55 H new ATOM 0 HD2 LYS A 138 61.469 11.244 9.746 1.00 2.07 H new ATOM 0 HD3 LYS A 138 59.908 10.614 10.234 1.00 2.07 H new ATOM 0 HE2 LYS A 138 60.245 11.700 12.527 1.00 2.85 H new ATOM 0 HE3 LYS A 138 61.725 12.421 11.927 1.00 2.85 H new ATOM 0 HZ1 LYS A 138 59.818 13.900 11.557 1.00 3.36 H new ATOM 0 HZ2 LYS A 138 60.465 13.397 10.070 1.00 3.36 H new ATOM 0 HZ3 LYS A 138 59.030 12.699 10.652 1.00 3.36 H new ATOM 842 N ASP A 139 62.927 6.127 10.236 1.00 0.71 N ATOM 843 CA ASP A 139 64.005 5.163 10.599 1.00 0.85 C ATOM 844 C ASP A 139 64.521 4.452 9.346 1.00 0.85 C ATOM 845 O ASP A 139 65.569 3.839 9.355 1.00 1.02 O ATOM 846 CB ASP A 139 63.339 4.165 11.547 1.00 0.97 C ATOM 847 CG ASP A 139 64.329 3.051 11.894 1.00 1.50 C ATOM 848 OD1 ASP A 139 65.513 3.335 11.947 1.00 2.33 O ATOM 849 OD2 ASP A 139 63.885 1.934 12.098 1.00 1.80 O ATOM 0 H ASP A 139 61.979 5.820 10.454 1.00 0.71 H new ATOM 0 HA ASP A 139 64.862 5.654 11.060 1.00 0.85 H new ATOM 0 HB2 ASP A 139 63.013 4.672 12.455 1.00 0.97 H new ATOM 0 HB3 ASP A 139 62.449 3.743 11.081 1.00 0.97 H new ATOM 854 N GLY A 140 63.791 4.529 8.267 1.00 0.81 N ATOM 855 CA GLY A 140 64.238 3.857 7.014 1.00 0.86 C ATOM 856 C GLY A 140 65.517 4.522 6.501 1.00 0.77 C ATOM 857 O GLY A 140 66.489 3.861 6.191 1.00 0.86 O ATOM 0 H GLY A 140 62.904 5.028 8.199 1.00 0.81 H new ATOM 0 HA2 GLY A 140 64.417 2.798 7.202 1.00 0.86 H new ATOM 0 HA3 GLY A 140 63.456 3.919 6.258 1.00 0.86 H new ATOM 861 N ASP A 141 65.526 5.823 6.406 1.00 0.70 N ATOM 862 CA ASP A 141 66.744 6.526 5.912 1.00 0.66 C ATOM 863 C ASP A 141 67.925 6.265 6.849 1.00 0.74 C ATOM 864 O ASP A 141 68.086 6.920 7.860 1.00 0.87 O ATOM 865 CB ASP A 141 66.374 8.011 5.916 1.00 0.66 C ATOM 866 CG ASP A 141 66.504 8.575 4.501 1.00 0.76 C ATOM 867 OD1 ASP A 141 67.108 7.913 3.673 1.00 0.92 O ATOM 868 OD2 ASP A 141 65.996 9.659 4.268 1.00 0.83 O ATOM 0 H ASP A 141 64.743 6.430 6.649 1.00 0.70 H new ATOM 0 HA ASP A 141 67.044 6.183 4.922 1.00 0.66 H new ATOM 0 HB2 ASP A 141 65.354 8.141 6.278 1.00 0.66 H new ATOM 0 HB3 ASP A 141 67.026 8.557 6.597 1.00 0.66 H new ATOM 873 N LYS A 142 68.754 5.311 6.522 1.00 0.75 N ATOM 874 CA LYS A 142 69.926 5.008 7.395 1.00 0.87 C ATOM 875 C LYS A 142 70.926 6.165 7.352 1.00 0.89 C ATOM 876 O LYS A 142 71.819 6.257 8.170 1.00 1.05 O ATOM 877 CB LYS A 142 70.544 3.743 6.800 1.00 0.89 C ATOM 878 CG LYS A 142 70.398 2.587 7.791 1.00 1.24 C ATOM 879 CD LYS A 142 71.590 1.639 7.650 1.00 1.26 C ATOM 880 CE LYS A 142 71.241 0.284 8.268 1.00 1.55 C ATOM 881 NZ LYS A 142 72.328 -0.635 7.826 1.00 1.99 N ATOM 0 H LYS A 142 68.671 4.728 5.689 1.00 0.75 H new ATOM 0 HA LYS A 142 69.642 4.871 8.438 1.00 0.87 H new ATOM 0 HB2 LYS A 142 70.053 3.494 5.860 1.00 0.89 H new ATOM 0 HB3 LYS A 142 71.597 3.912 6.575 1.00 0.89 H new ATOM 0 HG2 LYS A 142 70.345 2.972 8.809 1.00 1.24 H new ATOM 0 HG3 LYS A 142 69.468 2.049 7.604 1.00 1.24 H new ATOM 0 HD2 LYS A 142 71.847 1.515 6.598 1.00 1.26 H new ATOM 0 HD3 LYS A 142 72.465 2.062 8.144 1.00 1.26 H new ATOM 0 HE2 LYS A 142 71.195 0.346 9.355 1.00 1.55 H new ATOM 0 HE3 LYS A 142 70.266 -0.065 7.927 1.00 1.55 H new ATOM 0 HZ1 LYS A 142 72.157 -1.586 8.212 1.00 1.99 H new ATOM 0 HZ2 LYS A 142 72.343 -0.680 6.787 1.00 1.99 H new ATOM 0 HZ3 LYS A 142 73.243 -0.281 8.171 1.00 1.99 H new ATOM 895 N ASN A 143 70.780 7.050 6.404 1.00 0.85 N ATOM 896 CA ASN A 143 71.720 8.202 6.308 1.00 1.05 C ATOM 897 C ASN A 143 70.932 9.512 6.224 1.00 1.07 C ATOM 898 O ASN A 143 71.490 10.573 6.026 1.00 1.56 O ATOM 899 CB ASN A 143 72.509 7.966 5.019 1.00 1.08 C ATOM 900 CG ASN A 143 71.609 8.235 3.812 1.00 1.05 C ATOM 901 OD1 ASN A 143 70.404 8.096 3.894 1.00 0.98 O ATOM 902 ND2 ASN A 143 72.145 8.616 2.685 1.00 1.48 N ATOM 0 H ASN A 143 70.050 7.025 5.692 1.00 0.85 H new ATOM 0 HA ASN A 143 72.376 8.277 7.175 1.00 1.05 H new ATOM 0 HB2 ASN A 143 73.380 8.620 4.989 1.00 1.08 H new ATOM 0 HB3 ASN A 143 72.879 6.941 4.989 1.00 1.08 H new ATOM 0 HD21 ASN A 143 71.553 8.797 1.874 1.00 1.48 H new ATOM 0 HD22 ASN A 143 73.156 8.733 2.615 1.00 1.48 H new ATOM 909 N ASN A 144 69.638 9.444 6.372 1.00 0.78 N ATOM 910 CA ASN A 144 68.812 10.681 6.300 1.00 0.82 C ATOM 911 C ASN A 144 69.244 11.535 5.105 1.00 0.82 C ATOM 912 O ASN A 144 69.867 12.567 5.260 1.00 0.92 O ATOM 913 CB ASN A 144 69.084 11.416 7.613 1.00 0.95 C ATOM 914 CG ASN A 144 68.122 10.913 8.690 1.00 1.47 C ATOM 915 OD1 ASN A 144 67.468 11.696 9.350 1.00 2.28 O ATOM 916 ND2 ASN A 144 68.007 9.630 8.898 1.00 1.93 N ATOM 0 H ASN A 144 69.116 8.584 6.540 1.00 0.78 H new ATOM 0 HA ASN A 144 67.752 10.464 6.168 1.00 0.82 H new ATOM 0 HB2 ASN A 144 70.115 11.252 7.927 1.00 0.95 H new ATOM 0 HB3 ASN A 144 68.960 12.490 7.473 1.00 0.95 H new ATOM 0 HD21 ASN A 144 67.368 9.285 9.614 1.00 1.93 H new ATOM 0 HD22 ASN A 144 68.556 8.972 8.344 1.00 1.93 H new ATOM 923 N ASP A 145 68.918 11.113 3.914 1.00 0.75 N ATOM 924 CA ASP A 145 69.311 11.901 2.710 1.00 0.78 C ATOM 925 C ASP A 145 68.078 12.220 1.860 1.00 0.74 C ATOM 926 O ASP A 145 68.165 12.890 0.850 1.00 0.81 O ATOM 927 CB ASP A 145 70.273 10.996 1.940 1.00 0.76 C ATOM 928 CG ASP A 145 69.499 9.821 1.339 1.00 1.12 C ATOM 929 OD1 ASP A 145 68.392 9.574 1.790 1.00 1.85 O ATOM 930 OD2 ASP A 145 70.026 9.188 0.439 1.00 1.72 O ATOM 0 H ASP A 145 68.397 10.257 3.722 1.00 0.75 H new ATOM 0 HA ASP A 145 69.770 12.854 2.973 1.00 0.78 H new ATOM 0 HB2 ASP A 145 70.767 11.562 1.150 1.00 0.76 H new ATOM 0 HB3 ASP A 145 71.054 10.628 2.605 1.00 0.76 H new ATOM 935 N GLY A 146 66.930 11.748 2.262 1.00 0.69 N ATOM 936 CA GLY A 146 65.694 12.027 1.478 1.00 0.70 C ATOM 937 C GLY A 146 65.419 10.866 0.520 1.00 0.58 C ATOM 938 O GLY A 146 64.283 10.526 0.252 1.00 0.62 O ATOM 0 H GLY A 146 66.795 11.181 3.099 1.00 0.69 H new ATOM 0 HA2 GLY A 146 64.848 12.164 2.151 1.00 0.70 H new ATOM 0 HA3 GLY A 146 65.809 12.955 0.917 1.00 0.70 H new ATOM 942 N ARG A 147 66.448 10.256 -0.003 1.00 0.54 N ATOM 943 CA ARG A 147 66.239 9.120 -0.946 1.00 0.49 C ATOM 944 C ARG A 147 66.654 7.799 -0.292 1.00 0.44 C ATOM 945 O ARG A 147 67.251 7.780 0.766 1.00 0.56 O ATOM 946 CB ARG A 147 67.140 9.426 -2.142 1.00 0.57 C ATOM 947 CG ARG A 147 66.386 10.304 -3.141 1.00 0.78 C ATOM 948 CD ARG A 147 67.371 10.873 -4.166 1.00 0.73 C ATOM 949 NE ARG A 147 66.964 12.295 -4.341 1.00 1.07 N ATOM 950 CZ ARG A 147 67.845 13.248 -4.200 1.00 1.60 C ATOM 951 NH1 ARG A 147 68.340 13.512 -3.021 1.00 2.22 N ATOM 952 NH2 ARG A 147 68.231 13.938 -5.239 1.00 2.32 N ATOM 0 H ARG A 147 67.422 10.494 0.181 1.00 0.54 H new ATOM 0 HA ARG A 147 65.193 9.016 -1.235 1.00 0.49 H new ATOM 0 HB2 ARG A 147 68.045 9.933 -1.808 1.00 0.57 H new ATOM 0 HB3 ARG A 147 67.453 8.498 -2.621 1.00 0.57 H new ATOM 0 HG2 ARG A 147 65.616 9.720 -3.646 1.00 0.78 H new ATOM 0 HG3 ARG A 147 65.879 11.115 -2.618 1.00 0.78 H new ATOM 0 HD2 ARG A 147 68.399 10.797 -3.811 1.00 0.73 H new ATOM 0 HD3 ARG A 147 67.319 10.328 -5.109 1.00 0.73 H new ATOM 0 HE ARG A 147 65.997 12.524 -4.571 1.00 1.07 H new ATOM 0 HH11 ARG A 147 68.038 12.973 -2.209 1.00 2.22 H new ATOM 0 HH12 ARG A 147 69.028 14.257 -2.912 1.00 2.22 H new ATOM 0 HH21 ARG A 147 67.844 13.732 -6.160 1.00 2.32 H new ATOM 0 HH22 ARG A 147 68.919 14.683 -5.130 1.00 2.32 H new ATOM 966 N ILE A 148 66.344 6.696 -0.917 1.00 0.35 N ATOM 967 CA ILE A 148 66.722 5.375 -0.334 1.00 0.36 C ATOM 968 C ILE A 148 67.215 4.432 -1.437 1.00 0.40 C ATOM 969 O ILE A 148 66.572 4.261 -2.454 1.00 0.41 O ATOM 970 CB ILE A 148 65.438 4.838 0.301 1.00 0.35 C ATOM 971 CG1 ILE A 148 65.187 5.559 1.629 1.00 0.40 C ATOM 972 CG2 ILE A 148 65.579 3.334 0.559 1.00 0.43 C ATOM 973 CD1 ILE A 148 64.053 4.864 2.385 1.00 0.40 C ATOM 0 H ILE A 148 65.846 6.651 -1.806 1.00 0.35 H new ATOM 0 HA ILE A 148 67.529 5.460 0.394 1.00 0.36 H new ATOM 0 HB ILE A 148 64.601 5.012 -0.375 1.00 0.35 H new ATOM 0 HG12 ILE A 148 66.095 5.557 2.233 1.00 0.40 H new ATOM 0 HG13 ILE A 148 64.929 6.602 1.445 1.00 0.40 H new ATOM 0 HG21 ILE A 148 64.663 2.955 1.011 1.00 0.43 H new ATOM 0 HG22 ILE A 148 65.758 2.818 -0.384 1.00 0.43 H new ATOM 0 HG23 ILE A 148 66.417 3.158 1.234 1.00 0.43 H new ATOM 0 HD11 ILE A 148 63.876 5.379 3.329 1.00 0.40 H new ATOM 0 HD12 ILE A 148 63.145 4.889 1.783 1.00 0.40 H new ATOM 0 HD13 ILE A 148 64.329 3.828 2.582 1.00 0.40 H new ATOM 985 N ASP A 149 68.349 3.815 -1.240 1.00 0.47 N ATOM 986 CA ASP A 149 68.876 2.881 -2.277 1.00 0.55 C ATOM 987 C ASP A 149 68.647 1.430 -1.845 1.00 0.58 C ATOM 988 O ASP A 149 67.942 1.161 -0.892 1.00 0.54 O ATOM 989 CB ASP A 149 70.374 3.189 -2.374 1.00 0.65 C ATOM 990 CG ASP A 149 70.988 3.231 -0.974 1.00 1.32 C ATOM 991 OD1 ASP A 149 71.342 2.180 -0.470 1.00 2.16 O ATOM 992 OD2 ASP A 149 71.095 4.318 -0.428 1.00 2.00 O ATOM 0 H ASP A 149 68.932 3.917 -0.409 1.00 0.47 H new ATOM 0 HA ASP A 149 68.377 3.008 -3.238 1.00 0.55 H new ATOM 0 HB2 ASP A 149 70.872 2.429 -2.976 1.00 0.65 H new ATOM 0 HB3 ASP A 149 70.526 4.144 -2.876 1.00 0.65 H new ATOM 997 N TYR A 150 69.231 0.491 -2.539 1.00 0.67 N ATOM 998 CA TYR A 150 69.039 -0.940 -2.167 1.00 0.73 C ATOM 999 C TYR A 150 69.690 -1.229 -0.812 1.00 0.75 C ATOM 1000 O TYR A 150 69.266 -2.103 -0.083 1.00 0.76 O ATOM 1001 CB TYR A 150 69.729 -1.734 -3.278 1.00 0.84 C ATOM 1002 CG TYR A 150 69.647 -3.208 -2.970 1.00 0.97 C ATOM 1003 CD1 TYR A 150 68.403 -3.806 -2.735 1.00 1.63 C ATOM 1004 CD2 TYR A 150 70.815 -3.979 -2.917 1.00 1.74 C ATOM 1005 CE1 TYR A 150 68.327 -5.174 -2.448 1.00 2.06 C ATOM 1006 CE2 TYR A 150 70.738 -5.347 -2.630 1.00 2.14 C ATOM 1007 CZ TYR A 150 69.494 -5.944 -2.395 1.00 2.02 C ATOM 1008 OH TYR A 150 69.419 -7.293 -2.111 1.00 2.63 O ATOM 0 H TYR A 150 69.832 0.653 -3.347 1.00 0.67 H new ATOM 0 HA TYR A 150 67.986 -1.204 -2.072 1.00 0.73 H new ATOM 0 HB2 TYR A 150 69.255 -1.525 -4.237 1.00 0.84 H new ATOM 0 HB3 TYR A 150 70.771 -1.427 -3.365 1.00 0.84 H new ATOM 0 HD1 TYR A 150 67.502 -3.212 -2.775 1.00 1.63 H new ATOM 0 HD2 TYR A 150 71.775 -3.518 -3.098 1.00 1.74 H new ATOM 0 HE1 TYR A 150 67.367 -5.635 -2.267 1.00 2.06 H new ATOM 0 HE2 TYR A 150 71.639 -5.942 -2.590 1.00 2.14 H new ATOM 0 HH TYR A 150 70.320 -7.679 -2.114 1.00 2.63 H new ATOM 1018 N ASP A 151 70.717 -0.501 -0.469 1.00 0.78 N ATOM 1019 CA ASP A 151 71.392 -0.734 0.840 1.00 0.82 C ATOM 1020 C ASP A 151 70.506 -0.240 1.987 1.00 0.74 C ATOM 1021 O ASP A 151 69.975 -1.020 2.753 1.00 0.76 O ATOM 1022 CB ASP A 151 72.685 0.082 0.772 1.00 0.87 C ATOM 1023 CG ASP A 151 73.893 -0.850 0.890 1.00 1.31 C ATOM 1024 OD1 ASP A 151 73.686 -2.040 1.062 1.00 2.08 O ATOM 1025 OD2 ASP A 151 75.006 -0.358 0.807 1.00 1.67 O ATOM 0 H ASP A 151 71.118 0.245 -1.038 1.00 0.78 H new ATOM 0 HA ASP A 151 71.587 -1.791 1.021 1.00 0.82 H new ATOM 0 HB2 ASP A 151 72.729 0.633 -0.168 1.00 0.87 H new ATOM 0 HB3 ASP A 151 72.703 0.819 1.575 1.00 0.87 H new ATOM 1030 N GLU A 152 70.341 1.049 2.112 1.00 0.67 N ATOM 1031 CA GLU A 152 69.486 1.587 3.209 1.00 0.61 C ATOM 1032 C GLU A 152 68.101 0.937 3.157 1.00 0.58 C ATOM 1033 O GLU A 152 67.466 0.724 4.170 1.00 0.58 O ATOM 1034 CB GLU A 152 69.387 3.089 2.941 1.00 0.59 C ATOM 1035 CG GLU A 152 70.788 3.701 2.940 1.00 0.76 C ATOM 1036 CD GLU A 152 70.678 5.225 3.002 1.00 0.75 C ATOM 1037 OE1 GLU A 152 69.693 5.708 3.536 1.00 1.39 O ATOM 1038 OE2 GLU A 152 71.582 5.885 2.516 1.00 1.20 O ATOM 0 H GLU A 152 70.760 1.752 1.503 1.00 0.67 H new ATOM 0 HA GLU A 152 69.900 1.381 4.196 1.00 0.61 H new ATOM 0 HB2 GLU A 152 68.900 3.267 1.982 1.00 0.59 H new ATOM 0 HB3 GLU A 152 68.771 3.565 3.704 1.00 0.59 H new ATOM 0 HG2 GLU A 152 71.358 3.332 3.792 1.00 0.76 H new ATOM 0 HG3 GLU A 152 71.327 3.401 2.041 1.00 0.76 H new ATOM 1045 N PHE A 153 67.630 0.620 1.982 1.00 0.60 N ATOM 1046 CA PHE A 153 66.288 -0.019 1.865 1.00 0.61 C ATOM 1047 C PHE A 153 66.306 -1.399 2.527 1.00 0.66 C ATOM 1048 O PHE A 153 65.384 -1.774 3.225 1.00 0.71 O ATOM 1049 CB PHE A 153 66.038 -0.148 0.361 1.00 0.64 C ATOM 1050 CG PHE A 153 64.719 -0.847 0.130 1.00 0.68 C ATOM 1051 CD1 PHE A 153 63.517 -0.149 0.294 1.00 1.47 C ATOM 1052 CD2 PHE A 153 64.699 -2.196 -0.249 1.00 1.18 C ATOM 1053 CE1 PHE A 153 62.296 -0.799 0.080 1.00 1.55 C ATOM 1054 CE2 PHE A 153 63.477 -2.845 -0.462 1.00 1.24 C ATOM 1055 CZ PHE A 153 62.275 -2.147 -0.298 1.00 0.93 C ATOM 0 H PHE A 153 68.116 0.776 1.099 1.00 0.60 H new ATOM 0 HA PHE A 153 65.508 0.562 2.357 1.00 0.61 H new ATOM 0 HB2 PHE A 153 66.026 0.838 -0.103 1.00 0.64 H new ATOM 0 HB3 PHE A 153 66.847 -0.710 -0.106 1.00 0.64 H new ATOM 0 HD1 PHE A 153 63.532 0.891 0.586 1.00 1.47 H new ATOM 0 HD2 PHE A 153 65.626 -2.735 -0.377 1.00 1.18 H new ATOM 0 HE1 PHE A 153 61.369 -0.260 0.207 1.00 1.55 H new ATOM 0 HE2 PHE A 153 63.462 -3.885 -0.753 1.00 1.24 H new ATOM 0 HZ PHE A 153 61.332 -2.648 -0.463 1.00 0.93 H new ATOM 1065 N LEU A 154 67.348 -2.156 2.313 1.00 0.72 N ATOM 1066 CA LEU A 154 67.427 -3.510 2.932 1.00 0.80 C ATOM 1067 C LEU A 154 66.949 -3.447 4.385 1.00 0.79 C ATOM 1068 O LEU A 154 66.155 -4.255 4.824 1.00 0.82 O ATOM 1069 CB LEU A 154 68.906 -3.891 2.868 1.00 0.92 C ATOM 1070 CG LEU A 154 69.088 -5.076 1.918 1.00 0.85 C ATOM 1071 CD1 LEU A 154 68.264 -6.264 2.418 1.00 1.74 C ATOM 1072 CD2 LEU A 154 68.615 -4.684 0.517 1.00 1.54 C ATOM 0 H LEU A 154 68.148 -1.895 1.736 1.00 0.72 H new ATOM 0 HA LEU A 154 66.800 -4.239 2.419 1.00 0.80 H new ATOM 0 HB2 LEU A 154 69.496 -3.042 2.524 1.00 0.92 H new ATOM 0 HB3 LEU A 154 69.269 -4.150 3.863 1.00 0.92 H new ATOM 0 HG LEU A 154 70.142 -5.353 1.883 1.00 0.85 H new ATOM 0 HD11 LEU A 154 68.394 -7.108 1.741 1.00 1.74 H new ATOM 0 HD12 LEU A 154 68.599 -6.545 3.416 1.00 1.74 H new ATOM 0 HD13 LEU A 154 67.210 -5.987 2.454 1.00 1.74 H new ATOM 0 HD21 LEU A 154 68.745 -5.528 -0.160 1.00 1.54 H new ATOM 0 HD22 LEU A 154 67.562 -4.406 0.553 1.00 1.54 H new ATOM 0 HD23 LEU A 154 69.201 -3.838 0.158 1.00 1.54 H new ATOM 1084 N GLU A 155 67.422 -2.486 5.131 1.00 0.79 N ATOM 1085 CA GLU A 155 66.990 -2.365 6.552 1.00 0.82 C ATOM 1086 C GLU A 155 65.529 -1.908 6.612 1.00 0.81 C ATOM 1087 O GLU A 155 64.767 -2.344 7.452 1.00 0.90 O ATOM 1088 CB GLU A 155 67.911 -1.306 7.157 1.00 0.85 C ATOM 1089 CG GLU A 155 67.534 -1.075 8.621 1.00 0.95 C ATOM 1090 CD GLU A 155 66.451 0.002 8.706 1.00 1.67 C ATOM 1091 OE1 GLU A 155 66.538 0.961 7.956 1.00 2.27 O ATOM 1092 OE2 GLU A 155 65.553 -0.149 9.518 1.00 2.47 O ATOM 0 H GLU A 155 68.088 -1.780 4.818 1.00 0.79 H new ATOM 0 HA GLU A 155 67.054 -3.310 7.091 1.00 0.82 H new ATOM 0 HB2 GLU A 155 68.950 -1.629 7.085 1.00 0.85 H new ATOM 0 HB3 GLU A 155 67.827 -0.374 6.598 1.00 0.85 H new ATOM 0 HG2 GLU A 155 67.174 -2.003 9.066 1.00 0.95 H new ATOM 0 HG3 GLU A 155 68.412 -0.768 9.190 1.00 0.95 H new ATOM 1099 N PHE A 156 65.135 -1.037 5.723 1.00 0.75 N ATOM 1100 CA PHE A 156 63.724 -0.555 5.723 1.00 0.78 C ATOM 1101 C PHE A 156 62.759 -1.743 5.743 1.00 0.84 C ATOM 1102 O PHE A 156 61.968 -1.897 6.652 1.00 0.90 O ATOM 1103 CB PHE A 156 63.579 0.232 4.420 1.00 0.78 C ATOM 1104 CG PHE A 156 62.314 1.054 4.462 1.00 0.85 C ATOM 1105 CD1 PHE A 156 61.068 0.420 4.539 1.00 1.66 C ATOM 1106 CD2 PHE A 156 62.388 2.451 4.421 1.00 1.27 C ATOM 1107 CE1 PHE A 156 59.896 1.185 4.575 1.00 1.77 C ATOM 1108 CE2 PHE A 156 61.216 3.215 4.457 1.00 1.31 C ATOM 1109 CZ PHE A 156 59.970 2.582 4.534 1.00 1.10 C ATOM 0 H PHE A 156 65.729 -0.638 4.996 1.00 0.75 H new ATOM 0 HA PHE A 156 63.494 0.054 6.597 1.00 0.78 H new ATOM 0 HB2 PHE A 156 64.442 0.882 4.278 1.00 0.78 H new ATOM 0 HB3 PHE A 156 63.552 -0.452 3.572 1.00 0.78 H new ATOM 0 HD1 PHE A 156 61.011 -0.658 4.571 1.00 1.66 H new ATOM 0 HD2 PHE A 156 63.349 2.939 4.362 1.00 1.27 H new ATOM 0 HE1 PHE A 156 58.934 0.697 4.634 1.00 1.77 H new ATOM 0 HE2 PHE A 156 61.273 4.293 4.425 1.00 1.31 H new ATOM 0 HZ PHE A 156 59.066 3.172 4.562 1.00 1.10 H new ATOM 1119 N MET A 157 62.819 -2.585 4.750 1.00 0.86 N ATOM 1120 CA MET A 157 61.907 -3.764 4.714 1.00 0.95 C ATOM 1121 C MET A 157 62.215 -4.704 5.882 1.00 0.99 C ATOM 1122 O MET A 157 61.373 -5.460 6.322 1.00 1.12 O ATOM 1123 CB MET A 157 62.200 -4.453 3.382 1.00 0.99 C ATOM 1124 CG MET A 157 61.180 -5.569 3.148 1.00 1.28 C ATOM 1125 SD MET A 157 59.509 -4.873 3.162 1.00 1.48 S ATOM 1126 CE MET A 157 59.852 -3.444 2.106 1.00 1.12 C ATOM 0 H MET A 157 63.460 -2.509 3.961 1.00 0.86 H new ATOM 0 HA MET A 157 60.859 -3.478 4.802 1.00 0.95 H new ATOM 0 HB2 MET A 157 62.155 -3.729 2.569 1.00 0.99 H new ATOM 0 HB3 MET A 157 63.209 -4.864 3.388 1.00 0.99 H new ATOM 0 HG2 MET A 157 61.373 -6.059 2.194 1.00 1.28 H new ATOM 0 HG3 MET A 157 61.275 -6.331 3.922 1.00 1.28 H new ATOM 0 HE1 MET A 157 58.925 -3.101 1.646 1.00 1.12 H new ATOM 0 HE2 MET A 157 60.277 -2.641 2.708 1.00 1.12 H new ATOM 0 HE3 MET A 157 60.560 -3.728 1.328 1.00 1.12 H new ATOM 1136 N LYS A 158 63.419 -4.662 6.385 1.00 0.94 N ATOM 1137 CA LYS A 158 63.782 -5.554 7.524 1.00 1.02 C ATOM 1138 C LYS A 158 62.758 -5.410 8.653 1.00 1.05 C ATOM 1139 O LYS A 158 62.070 -6.347 9.004 1.00 1.20 O ATOM 1140 CB LYS A 158 65.158 -5.071 7.983 1.00 1.07 C ATOM 1141 CG LYS A 158 65.839 -6.171 8.801 1.00 1.26 C ATOM 1142 CD LYS A 158 66.821 -6.935 7.910 1.00 1.53 C ATOM 1143 CE LYS A 158 68.235 -6.389 8.122 1.00 1.45 C ATOM 1144 NZ LYS A 158 68.715 -7.042 9.371 1.00 2.07 N ATOM 0 H LYS A 158 64.166 -4.050 6.057 1.00 0.94 H new ATOM 0 HA LYS A 158 63.795 -6.606 7.238 1.00 1.02 H new ATOM 0 HB2 LYS A 158 65.771 -4.813 7.120 1.00 1.07 H new ATOM 0 HB3 LYS A 158 65.056 -4.167 8.583 1.00 1.07 H new ATOM 0 HG2 LYS A 158 66.365 -5.735 9.650 1.00 1.26 H new ATOM 0 HG3 LYS A 158 65.092 -6.854 9.206 1.00 1.26 H new ATOM 0 HD2 LYS A 158 66.791 -7.999 8.147 1.00 1.53 H new ATOM 0 HD3 LYS A 158 66.534 -6.833 6.863 1.00 1.53 H new ATOM 0 HE2 LYS A 158 68.881 -6.628 7.278 1.00 1.45 H new ATOM 0 HE3 LYS A 158 68.229 -5.304 8.221 1.00 1.45 H new ATOM 0 HZ1 LYS A 158 69.126 -6.325 10.002 1.00 2.07 H new ATOM 0 HZ2 LYS A 158 67.917 -7.506 9.849 1.00 2.07 H new ATOM 0 HZ3 LYS A 158 69.438 -7.752 9.136 1.00 2.07 H new