USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=9 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 Set 1.1: A 120 MET CE :methyl -111:sc= -0.693 (180deg=0) USER MOD Set 1.2: A 157 MET CE :methyl 167:sc= -2.33 (180deg=-2.6!) USER MOD Single : A 98 SER OG : rot 180:sc= -0.0314 USER MOD Single : A 103 MET CE :methyl -142:sc=-0.00605 (180deg=-1.13) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -4.83! C(o=-4.8!,f=-6.8!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 153:sc= -0.164 (180deg=-0.527) USER MOD Single : A 122 GLN : amide:sc= -1.16 K(o=-1.2,f=0) USER MOD Single : A 129 THR OG1 : rot -28:sc= 0.357 USER MOD Single : A 137 MET CE :methyl 173:sc= -4.38! (180deg=-4.79!) 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= -2.77! C(o=-2.8!,f=-12!) USER MOD Single : A 144 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 150 TYR OH : rot 180:sc= -0.117 USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 155 N GLU A 96 64.720 -11.041 -2.872 1.00 1.38 N ATOM 156 CA GLU A 96 63.646 -10.283 -3.575 1.00 1.34 C ATOM 157 C GLU A 96 63.615 -8.831 -3.088 1.00 1.16 C ATOM 158 O GLU A 96 63.020 -7.972 -3.707 1.00 1.07 O ATOM 159 CB GLU A 96 62.347 -11.002 -3.205 1.00 1.51 C ATOM 160 CG GLU A 96 62.153 -12.212 -4.121 1.00 2.07 C ATOM 161 CD GLU A 96 61.847 -11.735 -5.541 1.00 2.19 C ATOM 162 OE1 GLU A 96 61.391 -10.612 -5.683 1.00 2.61 O ATOM 163 OE2 GLU A 96 62.074 -12.500 -6.464 1.00 2.60 O ATOM 0 HA GLU A 96 63.802 -10.251 -4.653 1.00 1.34 H new ATOM 0 HB2 GLU A 96 62.381 -11.323 -2.164 1.00 1.51 H new ATOM 0 HB3 GLU A 96 61.502 -10.321 -3.302 1.00 1.51 H new ATOM 0 HG2 GLU A 96 63.051 -12.830 -4.119 1.00 2.07 H new ATOM 0 HG3 GLU A 96 61.338 -12.834 -3.752 1.00 2.07 H new ATOM 170 N LEU A 97 64.252 -8.553 -1.983 1.00 1.14 N ATOM 171 CA LEU A 97 64.262 -7.159 -1.454 1.00 0.99 C ATOM 172 C LEU A 97 64.615 -6.165 -2.564 1.00 0.82 C ATOM 173 O LEU A 97 63.927 -5.185 -2.775 1.00 0.70 O ATOM 174 CB LEU A 97 65.344 -7.163 -0.374 1.00 1.03 C ATOM 175 CG LEU A 97 64.724 -7.502 0.985 1.00 1.31 C ATOM 176 CD1 LEU A 97 64.000 -6.273 1.536 1.00 1.57 C ATOM 177 CD2 LEU A 97 63.725 -8.654 0.830 1.00 1.71 C ATOM 0 H LEU A 97 64.767 -9.232 -1.423 1.00 1.14 H new ATOM 0 HA LEU A 97 63.290 -6.858 -1.064 1.00 0.99 H new ATOM 0 HB2 LEU A 97 66.116 -7.891 -0.623 1.00 1.03 H new ATOM 0 HB3 LEU A 97 65.829 -6.188 -0.329 1.00 1.03 H new ATOM 0 HG LEU A 97 65.514 -7.802 1.674 1.00 1.31 H new ATOM 0 HD11 LEU A 97 63.559 -6.514 2.503 1.00 1.57 H new ATOM 0 HD12 LEU A 97 64.711 -5.455 1.655 1.00 1.57 H new ATOM 0 HD13 LEU A 97 63.214 -5.973 0.843 1.00 1.57 H new ATOM 0 HD21 LEU A 97 63.288 -8.890 1.800 1.00 1.71 H new ATOM 0 HD22 LEU A 97 62.936 -8.360 0.138 1.00 1.71 H new ATOM 0 HD23 LEU A 97 64.240 -9.532 0.441 1.00 1.71 H new ATOM 189 N SER A 98 65.685 -6.405 -3.272 1.00 0.87 N ATOM 190 CA SER A 98 66.084 -5.469 -4.364 1.00 0.78 C ATOM 191 C SER A 98 65.049 -5.488 -5.491 1.00 0.75 C ATOM 192 O SER A 98 64.795 -4.485 -6.129 1.00 0.74 O ATOM 193 CB SER A 98 67.429 -5.996 -4.862 1.00 0.93 C ATOM 194 OG SER A 98 67.233 -6.717 -6.072 1.00 1.41 O ATOM 0 H SER A 98 66.300 -7.208 -3.142 1.00 0.87 H new ATOM 0 HA SER A 98 66.150 -4.438 -4.017 1.00 0.78 H new ATOM 0 HB2 SER A 98 68.119 -5.168 -5.026 1.00 0.93 H new ATOM 0 HB3 SER A 98 67.881 -6.642 -4.109 1.00 0.93 H new ATOM 0 HG SER A 98 68.094 -7.055 -6.395 1.00 1.41 H new ATOM 200 N ASP A 99 64.452 -6.620 -5.746 1.00 0.80 N ATOM 201 CA ASP A 99 63.437 -6.698 -6.836 1.00 0.82 C ATOM 202 C ASP A 99 62.284 -5.728 -6.564 1.00 0.77 C ATOM 203 O ASP A 99 61.816 -5.044 -7.452 1.00 0.77 O ATOM 204 CB ASP A 99 62.938 -8.143 -6.807 1.00 0.93 C ATOM 205 CG ASP A 99 63.492 -8.901 -8.016 1.00 1.45 C ATOM 206 OD1 ASP A 99 62.943 -8.739 -9.093 1.00 1.92 O ATOM 207 OD2 ASP A 99 64.455 -9.630 -7.843 1.00 2.18 O ATOM 0 H ASP A 99 64.622 -7.494 -5.248 1.00 0.80 H new ATOM 0 HA ASP A 99 63.854 -6.427 -7.806 1.00 0.82 H new ATOM 0 HB2 ASP A 99 63.254 -8.629 -5.884 1.00 0.93 H new ATOM 0 HB3 ASP A 99 61.848 -8.163 -6.821 1.00 0.93 H new ATOM 212 N LEU A 100 61.821 -5.666 -5.347 1.00 0.77 N ATOM 213 CA LEU A 100 60.695 -4.741 -5.025 1.00 0.77 C ATOM 214 C LEU A 100 61.166 -3.285 -5.087 1.00 0.64 C ATOM 215 O LEU A 100 60.442 -2.406 -5.511 1.00 0.64 O ATOM 216 CB LEU A 100 60.275 -5.109 -3.602 1.00 0.85 C ATOM 217 CG LEU A 100 59.615 -6.489 -3.605 1.00 1.16 C ATOM 218 CD1 LEU A 100 59.129 -6.826 -2.193 1.00 1.54 C ATOM 219 CD2 LEU A 100 58.423 -6.479 -4.564 1.00 1.57 C ATOM 0 H LEU A 100 62.172 -6.214 -4.561 1.00 0.77 H new ATOM 0 HA LEU A 100 59.870 -4.835 -5.732 1.00 0.77 H new ATOM 0 HB2 LEU A 100 61.144 -5.111 -2.944 1.00 0.85 H new ATOM 0 HB3 LEU A 100 59.582 -4.364 -3.212 1.00 0.85 H new ATOM 0 HG LEU A 100 60.338 -7.238 -3.928 1.00 1.16 H new ATOM 0 HD11 LEU A 100 58.659 -7.809 -2.195 1.00 1.54 H new ATOM 0 HD12 LEU A 100 59.977 -6.831 -1.508 1.00 1.54 H new ATOM 0 HD13 LEU A 100 58.405 -6.078 -1.869 1.00 1.54 H new ATOM 0 HD21 LEU A 100 57.951 -7.461 -4.568 1.00 1.57 H new ATOM 0 HD22 LEU A 100 57.700 -5.731 -4.239 1.00 1.57 H new ATOM 0 HD23 LEU A 100 58.767 -6.238 -5.570 1.00 1.57 H new ATOM 231 N PHE A 101 62.371 -3.022 -4.664 1.00 0.60 N ATOM 232 CA PHE A 101 62.886 -1.623 -4.694 1.00 0.53 C ATOM 233 C PHE A 101 62.785 -1.045 -6.109 1.00 0.49 C ATOM 234 O PHE A 101 62.201 -0.001 -6.323 1.00 0.61 O ATOM 235 CB PHE A 101 64.349 -1.730 -4.266 1.00 0.57 C ATOM 236 CG PHE A 101 64.989 -0.364 -4.319 1.00 0.46 C ATOM 237 CD1 PHE A 101 65.342 0.196 -5.553 1.00 1.23 C ATOM 238 CD2 PHE A 101 65.229 0.344 -3.136 1.00 1.31 C ATOM 239 CE1 PHE A 101 65.936 1.463 -5.603 1.00 1.23 C ATOM 240 CE2 PHE A 101 65.823 1.611 -3.185 1.00 1.30 C ATOM 241 CZ PHE A 101 66.175 2.171 -4.419 1.00 0.40 C ATOM 0 H PHE A 101 63.023 -3.716 -4.298 1.00 0.60 H new ATOM 0 HA PHE A 101 62.315 -0.963 -4.042 1.00 0.53 H new ATOM 0 HB2 PHE A 101 64.415 -2.136 -3.256 1.00 0.57 H new ATOM 0 HB3 PHE A 101 64.882 -2.419 -4.922 1.00 0.57 H new ATOM 0 HD1 PHE A 101 65.156 -0.349 -6.466 1.00 1.23 H new ATOM 0 HD2 PHE A 101 64.956 -0.087 -2.184 1.00 1.31 H new ATOM 0 HE1 PHE A 101 66.210 1.894 -6.555 1.00 1.23 H new ATOM 0 HE2 PHE A 101 66.010 2.156 -2.271 1.00 1.30 H new ATOM 0 HZ PHE A 101 66.631 3.149 -4.458 1.00 0.40 H new ATOM 251 N ARG A 102 63.356 -1.710 -7.075 1.00 0.53 N ATOM 252 CA ARG A 102 63.298 -1.193 -8.473 1.00 0.70 C ATOM 253 C ARG A 102 61.888 -1.355 -9.048 1.00 0.80 C ATOM 254 O ARG A 102 61.461 -0.592 -9.891 1.00 1.09 O ATOM 255 CB ARG A 102 64.298 -2.048 -9.253 1.00 0.87 C ATOM 256 CG ARG A 102 65.716 -1.524 -9.013 1.00 1.28 C ATOM 257 CD ARG A 102 66.647 -2.695 -8.688 1.00 1.83 C ATOM 258 NE ARG A 102 67.972 -2.298 -9.236 1.00 2.26 N ATOM 259 CZ ARG A 102 68.430 -2.867 -10.318 1.00 2.89 C ATOM 260 NH1 ARG A 102 67.600 -3.337 -11.209 1.00 3.22 N ATOM 261 NH2 ARG A 102 69.717 -2.966 -10.510 1.00 3.68 N ATOM 0 H ARG A 102 63.860 -2.589 -6.958 1.00 0.53 H new ATOM 0 HA ARG A 102 63.537 -0.131 -8.527 1.00 0.70 H new ATOM 0 HB2 ARG A 102 64.226 -3.089 -8.938 1.00 0.87 H new ATOM 0 HB3 ARG A 102 64.064 -2.020 -10.317 1.00 0.87 H new ATOM 0 HG2 ARG A 102 66.074 -0.996 -9.897 1.00 1.28 H new ATOM 0 HG3 ARG A 102 65.716 -0.807 -8.192 1.00 1.28 H new ATOM 0 HD2 ARG A 102 66.701 -2.870 -7.613 1.00 1.83 H new ATOM 0 HD3 ARG A 102 66.292 -3.619 -9.144 1.00 1.83 H new ATOM 0 HE ARG A 102 68.523 -1.580 -8.766 1.00 2.26 H new ATOM 0 HH11 ARG A 102 66.594 -3.260 -11.060 1.00 3.22 H new ATOM 0 HH12 ARG A 102 67.957 -3.782 -12.055 1.00 3.22 H new ATOM 0 HH21 ARG A 102 70.366 -2.599 -9.814 1.00 3.68 H new ATOM 0 HH22 ARG A 102 70.074 -3.411 -11.356 1.00 3.68 H new ATOM 275 N MET A 103 61.163 -2.345 -8.604 1.00 0.68 N ATOM 276 CA MET A 103 59.784 -2.553 -9.133 1.00 0.81 C ATOM 277 C MET A 103 58.809 -1.554 -8.500 1.00 0.79 C ATOM 278 O MET A 103 57.659 -1.470 -8.883 1.00 0.90 O ATOM 279 CB MET A 103 59.419 -3.984 -8.738 1.00 0.91 C ATOM 280 CG MET A 103 58.131 -4.399 -9.451 1.00 1.35 C ATOM 281 SD MET A 103 58.148 -6.185 -9.742 1.00 1.92 S ATOM 282 CE MET A 103 57.346 -6.674 -8.196 1.00 1.63 C ATOM 0 H MET A 103 61.465 -3.018 -7.899 1.00 0.68 H new ATOM 0 HA MET A 103 59.732 -2.401 -10.211 1.00 0.81 H new ATOM 0 HB2 MET A 103 60.229 -4.663 -9.004 1.00 0.91 H new ATOM 0 HB3 MET A 103 59.287 -4.052 -7.658 1.00 0.91 H new ATOM 0 HG2 MET A 103 57.265 -4.127 -8.847 1.00 1.35 H new ATOM 0 HG3 MET A 103 58.040 -3.867 -10.398 1.00 1.35 H new ATOM 0 HE1 MET A 103 57.803 -7.590 -7.823 1.00 1.63 H new ATOM 0 HE2 MET A 103 57.466 -5.882 -7.457 1.00 1.63 H new ATOM 0 HE3 MET A 103 56.284 -6.845 -8.375 1.00 1.63 H new ATOM 292 N PHE A 104 59.256 -0.796 -7.536 1.00 0.71 N ATOM 293 CA PHE A 104 58.348 0.195 -6.887 1.00 0.75 C ATOM 294 C PHE A 104 58.850 1.619 -7.139 1.00 0.68 C ATOM 295 O PHE A 104 58.112 2.577 -7.024 1.00 0.80 O ATOM 296 CB PHE A 104 58.399 -0.133 -5.395 1.00 0.76 C ATOM 297 CG PHE A 104 57.219 -1.006 -5.034 1.00 1.03 C ATOM 298 CD1 PHE A 104 55.917 -0.498 -5.128 1.00 1.71 C ATOM 299 CD2 PHE A 104 57.427 -2.322 -4.604 1.00 1.67 C ATOM 300 CE1 PHE A 104 54.824 -1.307 -4.794 1.00 2.03 C ATOM 301 CE2 PHE A 104 56.334 -3.130 -4.270 1.00 1.90 C ATOM 302 CZ PHE A 104 55.033 -2.623 -4.365 1.00 1.76 C ATOM 0 H PHE A 104 60.208 -0.819 -7.170 1.00 0.71 H new ATOM 0 HA PHE A 104 57.333 0.141 -7.281 1.00 0.75 H new ATOM 0 HB2 PHE A 104 59.331 -0.645 -5.155 1.00 0.76 H new ATOM 0 HB3 PHE A 104 58.379 0.785 -4.808 1.00 0.76 H new ATOM 0 HD1 PHE A 104 55.756 0.518 -5.458 1.00 1.71 H new ATOM 0 HD2 PHE A 104 58.431 -2.714 -4.530 1.00 1.67 H new ATOM 0 HE1 PHE A 104 53.820 -0.916 -4.867 1.00 2.03 H new ATOM 0 HE2 PHE A 104 56.495 -4.145 -3.939 1.00 1.90 H new ATOM 0 HZ PHE A 104 54.190 -3.247 -4.107 1.00 1.76 H new ATOM 312 N ASP A 105 60.101 1.766 -7.482 1.00 0.58 N ATOM 313 CA ASP A 105 60.648 3.129 -7.740 1.00 0.52 C ATOM 314 C ASP A 105 59.764 3.874 -8.741 1.00 0.52 C ATOM 315 O ASP A 105 59.983 3.821 -9.935 1.00 0.60 O ATOM 316 CB ASP A 105 62.041 2.896 -8.325 1.00 0.60 C ATOM 317 CG ASP A 105 62.902 4.142 -8.107 1.00 0.51 C ATOM 318 OD1 ASP A 105 62.339 5.183 -7.808 1.00 0.48 O ATOM 319 OD2 ASP A 105 64.110 4.034 -8.242 1.00 0.54 O ATOM 0 H ASP A 105 60.767 1.002 -7.595 1.00 0.58 H new ATOM 0 HA ASP A 105 60.683 3.736 -6.835 1.00 0.52 H new ATOM 0 HB2 ASP A 105 62.506 2.032 -7.850 1.00 0.60 H new ATOM 0 HB3 ASP A 105 61.967 2.674 -9.390 1.00 0.60 H new ATOM 324 N LYS A 106 58.770 4.571 -8.265 1.00 0.51 N ATOM 325 CA LYS A 106 57.878 5.321 -9.193 1.00 0.60 C ATOM 326 C LYS A 106 58.690 6.355 -9.971 1.00 0.59 C ATOM 327 O LYS A 106 58.434 6.614 -11.130 1.00 0.70 O ATOM 328 CB LYS A 106 56.853 6.010 -8.293 1.00 0.63 C ATOM 329 CG LYS A 106 55.775 5.003 -7.894 1.00 1.39 C ATOM 330 CD LYS A 106 54.516 5.246 -8.730 1.00 1.58 C ATOM 331 CE LYS A 106 54.810 4.934 -10.199 1.00 2.00 C ATOM 332 NZ LYS A 106 53.478 4.941 -10.866 1.00 2.79 N ATOM 0 H LYS A 106 58.537 4.654 -7.275 1.00 0.51 H new ATOM 0 HA LYS A 106 57.399 4.671 -9.925 1.00 0.60 H new ATOM 0 HB2 LYS A 106 57.342 6.408 -7.404 1.00 0.63 H new ATOM 0 HB3 LYS A 106 56.403 6.855 -8.815 1.00 0.63 H new ATOM 0 HG2 LYS A 106 56.137 3.986 -8.049 1.00 1.39 H new ATOM 0 HG3 LYS A 106 55.545 5.102 -6.833 1.00 1.39 H new ATOM 0 HD2 LYS A 106 53.701 4.618 -8.370 1.00 1.58 H new ATOM 0 HD3 LYS A 106 54.191 6.281 -8.625 1.00 1.58 H new ATOM 0 HE2 LYS A 106 55.475 5.679 -10.636 1.00 2.00 H new ATOM 0 HE3 LYS A 106 55.301 3.967 -10.307 1.00 2.00 H new ATOM 0 HZ1 LYS A 106 53.596 4.735 -11.878 1.00 2.79 H new ATOM 0 HZ2 LYS A 106 52.869 4.217 -10.433 1.00 2.79 H new ATOM 0 HZ3 LYS A 106 53.038 5.876 -10.752 1.00 2.79 H new ATOM 346 N ASN A 107 59.670 6.946 -9.345 1.00 0.53 N ATOM 347 CA ASN A 107 60.497 7.958 -10.061 1.00 0.59 C ATOM 348 C ASN A 107 61.493 7.258 -10.989 1.00 0.60 C ATOM 349 O ASN A 107 62.039 7.855 -11.894 1.00 0.71 O ATOM 350 CB ASN A 107 61.235 8.721 -8.963 1.00 0.62 C ATOM 351 CG ASN A 107 62.316 9.602 -9.590 1.00 1.10 C ATOM 352 OD1 ASN A 107 63.379 9.775 -9.027 1.00 1.50 O ATOM 353 ND2 ASN A 107 62.088 10.171 -10.743 1.00 1.67 N ATOM 0 H ASN A 107 59.933 6.774 -8.375 1.00 0.53 H new ATOM 0 HA ASN A 107 59.893 8.622 -10.680 1.00 0.59 H new ATOM 0 HB2 ASN A 107 60.534 9.335 -8.398 1.00 0.62 H new ATOM 0 HB3 ASN A 107 61.685 8.021 -8.259 1.00 0.62 H new ATOM 0 HD21 ASN A 107 62.802 10.760 -11.171 1.00 1.67 H new ATOM 0 HD22 ASN A 107 61.196 10.026 -11.216 1.00 1.67 H new ATOM 360 N ALA A 108 61.729 5.993 -10.771 1.00 0.56 N ATOM 361 CA ALA A 108 62.688 5.253 -11.641 1.00 0.62 C ATOM 362 C ALA A 108 64.001 6.031 -11.768 1.00 0.64 C ATOM 363 O ALA A 108 64.371 6.470 -12.839 1.00 0.78 O ATOM 364 CB ALA A 108 61.991 5.153 -12.999 1.00 0.72 C ATOM 0 H ALA A 108 61.300 5.440 -10.029 1.00 0.56 H new ATOM 0 HA ALA A 108 62.940 4.273 -11.237 1.00 0.62 H new ATOM 0 HB1 ALA A 108 62.634 4.620 -13.699 1.00 0.72 H new ATOM 0 HB2 ALA A 108 61.050 4.614 -12.886 1.00 0.72 H new ATOM 0 HB3 ALA A 108 61.792 6.154 -13.380 1.00 0.72 H new ATOM 370 N ASP A 109 64.709 6.203 -10.685 1.00 0.57 N ATOM 371 CA ASP A 109 65.998 6.953 -10.751 1.00 0.63 C ATOM 372 C ASP A 109 67.068 6.252 -9.909 1.00 0.63 C ATOM 373 O ASP A 109 68.168 6.745 -9.753 1.00 0.76 O ATOM 374 CB ASP A 109 65.684 8.335 -10.177 1.00 0.62 C ATOM 375 CG ASP A 109 65.405 8.216 -8.677 1.00 0.70 C ATOM 376 OD1 ASP A 109 64.806 7.231 -8.282 1.00 0.75 O ATOM 377 OD2 ASP A 109 65.798 9.113 -7.949 1.00 1.20 O ATOM 0 H ASP A 109 64.453 5.858 -9.760 1.00 0.57 H new ATOM 0 HA ASP A 109 66.386 7.012 -11.768 1.00 0.63 H new ATOM 0 HB2 ASP A 109 66.522 9.010 -10.349 1.00 0.62 H new ATOM 0 HB3 ASP A 109 64.820 8.763 -10.685 1.00 0.62 H new ATOM 382 N GLY A 110 66.758 5.107 -9.365 1.00 0.58 N ATOM 383 CA GLY A 110 67.764 4.380 -8.536 1.00 0.62 C ATOM 384 C GLY A 110 67.419 4.534 -7.054 1.00 0.54 C ATOM 385 O GLY A 110 67.589 3.622 -6.271 1.00 0.57 O ATOM 0 H GLY A 110 65.854 4.643 -9.458 1.00 0.58 H new ATOM 0 HA2 GLY A 110 67.779 3.325 -8.808 1.00 0.62 H new ATOM 0 HA3 GLY A 110 68.762 4.773 -8.730 1.00 0.62 H new ATOM 389 N TYR A 111 66.935 5.682 -6.663 1.00 0.50 N ATOM 390 CA TYR A 111 66.580 5.892 -5.229 1.00 0.48 C ATOM 391 C TYR A 111 65.096 6.240 -5.101 1.00 0.42 C ATOM 392 O TYR A 111 64.453 6.608 -6.061 1.00 0.52 O ATOM 393 CB TYR A 111 67.447 7.065 -4.774 1.00 0.52 C ATOM 394 CG TYR A 111 68.877 6.826 -5.192 1.00 0.60 C ATOM 395 CD1 TYR A 111 69.324 7.265 -6.444 1.00 1.38 C ATOM 396 CD2 TYR A 111 69.755 6.162 -4.328 1.00 1.36 C ATOM 397 CE1 TYR A 111 70.650 7.041 -6.831 1.00 1.46 C ATOM 398 CE2 TYR A 111 71.081 5.938 -4.716 1.00 1.40 C ATOM 399 CZ TYR A 111 71.529 6.377 -5.967 1.00 0.83 C ATOM 400 OH TYR A 111 72.836 6.158 -6.348 1.00 0.97 O ATOM 0 H TYR A 111 66.770 6.483 -7.273 1.00 0.50 H new ATOM 0 HA TYR A 111 66.752 5.001 -4.625 1.00 0.48 H new ATOM 0 HB2 TYR A 111 67.080 7.994 -5.211 1.00 0.52 H new ATOM 0 HB3 TYR A 111 67.387 7.177 -3.691 1.00 0.52 H new ATOM 0 HD1 TYR A 111 68.646 7.776 -7.111 1.00 1.38 H new ATOM 0 HD2 TYR A 111 69.410 5.823 -3.363 1.00 1.36 H new ATOM 0 HE1 TYR A 111 70.995 7.380 -7.796 1.00 1.46 H new ATOM 0 HE2 TYR A 111 71.759 5.426 -4.049 1.00 1.40 H new ATOM 0 HH TYR A 111 73.311 5.686 -5.632 1.00 0.97 H new ATOM 410 N ILE A 112 64.548 6.131 -3.922 1.00 0.36 N ATOM 411 CA ILE A 112 63.105 6.460 -3.739 1.00 0.32 C ATOM 412 C ILE A 112 62.927 7.494 -2.629 1.00 0.35 C ATOM 413 O ILE A 112 63.653 7.511 -1.656 1.00 0.43 O ATOM 414 CB ILE A 112 62.440 5.150 -3.358 1.00 0.32 C ATOM 415 CG1 ILE A 112 62.893 4.083 -4.362 1.00 0.40 C ATOM 416 CG2 ILE A 112 60.917 5.341 -3.407 1.00 0.35 C ATOM 417 CD1 ILE A 112 61.763 3.097 -4.650 1.00 0.46 C ATOM 0 H ILE A 112 65.036 5.829 -3.078 1.00 0.36 H new ATOM 0 HA ILE A 112 62.669 6.889 -4.641 1.00 0.32 H new ATOM 0 HB ILE A 112 62.717 4.837 -2.351 1.00 0.32 H new ATOM 0 HG12 ILE A 112 63.210 4.561 -5.289 1.00 0.40 H new ATOM 0 HG13 ILE A 112 63.757 3.548 -3.967 1.00 0.40 H new ATOM 0 HG21 ILE A 112 60.424 4.407 -3.135 1.00 0.35 H new ATOM 0 HG22 ILE A 112 60.626 6.123 -2.705 1.00 0.35 H new ATOM 0 HG23 ILE A 112 60.619 5.629 -4.415 1.00 0.35 H new ATOM 0 HD11 ILE A 112 62.106 2.349 -5.365 1.00 0.46 H new ATOM 0 HD12 ILE A 112 61.465 2.605 -3.724 1.00 0.46 H new ATOM 0 HD13 ILE A 112 60.910 3.633 -5.067 1.00 0.46 H new ATOM 429 N ASP A 113 61.963 8.354 -2.768 1.00 0.36 N ATOM 430 CA ASP A 113 61.731 9.387 -1.716 1.00 0.44 C ATOM 431 C ASP A 113 60.397 9.132 -1.007 1.00 0.44 C ATOM 432 O ASP A 113 59.717 8.164 -1.276 1.00 0.60 O ATOM 433 CB ASP A 113 61.703 10.723 -2.461 1.00 0.56 C ATOM 434 CG ASP A 113 60.793 10.612 -3.685 1.00 0.94 C ATOM 435 OD1 ASP A 113 59.592 10.520 -3.499 1.00 1.58 O ATOM 436 OD2 ASP A 113 61.313 10.626 -4.789 1.00 1.53 O ATOM 0 H ASP A 113 61.324 8.390 -3.562 1.00 0.36 H new ATOM 0 HA ASP A 113 62.504 9.372 -0.948 1.00 0.44 H new ATOM 0 HB2 ASP A 113 61.344 11.512 -1.800 1.00 0.56 H new ATOM 0 HB3 ASP A 113 62.711 11.000 -2.769 1.00 0.56 H new ATOM 441 N LEU A 114 60.022 9.994 -0.101 1.00 0.47 N ATOM 442 CA LEU A 114 58.736 9.803 0.630 1.00 0.47 C ATOM 443 C LEU A 114 57.555 9.869 -0.343 1.00 0.50 C ATOM 444 O LEU A 114 56.501 9.320 -0.094 1.00 0.52 O ATOM 445 CB LEU A 114 58.672 10.968 1.621 1.00 0.57 C ATOM 446 CG LEU A 114 59.310 10.560 2.954 1.00 0.68 C ATOM 447 CD1 LEU A 114 58.336 9.684 3.740 1.00 1.36 C ATOM 448 CD2 LEU A 114 60.602 9.780 2.696 1.00 1.57 C ATOM 0 H LEU A 114 60.552 10.824 0.165 1.00 0.47 H new ATOM 0 HA LEU A 114 58.685 8.834 1.127 1.00 0.47 H new ATOM 0 HB2 LEU A 114 59.191 11.834 1.210 1.00 0.57 H new ATOM 0 HB3 LEU A 114 57.635 11.264 1.780 1.00 0.57 H new ATOM 0 HG LEU A 114 59.540 11.457 3.529 1.00 0.68 H new ATOM 0 HD11 LEU A 114 58.790 9.394 4.687 1.00 1.36 H new ATOM 0 HD12 LEU A 114 57.419 10.241 3.933 1.00 1.36 H new ATOM 0 HD13 LEU A 114 58.102 8.790 3.162 1.00 1.36 H new ATOM 0 HD21 LEU A 114 61.050 9.493 3.647 1.00 1.57 H new ATOM 0 HD22 LEU A 114 60.377 8.885 2.116 1.00 1.57 H new ATOM 0 HD23 LEU A 114 61.300 10.406 2.140 1.00 1.57 H new ATOM 460 N GLU A 115 57.724 10.541 -1.448 1.00 0.56 N ATOM 461 CA GLU A 115 56.613 10.649 -2.435 1.00 0.64 C ATOM 462 C GLU A 115 56.461 9.340 -3.217 1.00 0.56 C ATOM 463 O GLU A 115 55.389 9.003 -3.678 1.00 0.61 O ATOM 464 CB GLU A 115 57.028 11.786 -3.369 1.00 0.77 C ATOM 465 CG GLU A 115 55.795 12.338 -4.085 1.00 1.54 C ATOM 466 CD GLU A 115 56.169 12.735 -5.514 1.00 2.04 C ATOM 467 OE1 GLU A 115 57.052 13.563 -5.665 1.00 2.67 O ATOM 468 OE2 GLU A 115 55.566 12.205 -6.432 1.00 2.45 O ATOM 0 H GLU A 115 58.585 11.021 -1.711 1.00 0.56 H new ATOM 0 HA GLU A 115 55.653 10.840 -1.955 1.00 0.64 H new ATOM 0 HB2 GLU A 115 57.515 12.578 -2.800 1.00 0.77 H new ATOM 0 HB3 GLU A 115 57.753 11.425 -4.098 1.00 0.77 H new ATOM 0 HG2 GLU A 115 55.004 11.588 -4.100 1.00 1.54 H new ATOM 0 HG3 GLU A 115 55.405 13.202 -3.547 1.00 1.54 H new ATOM 475 N GLU A 116 57.526 8.603 -3.371 1.00 0.49 N ATOM 476 CA GLU A 116 57.438 7.320 -4.124 1.00 0.45 C ATOM 477 C GLU A 116 57.012 6.183 -3.192 1.00 0.43 C ATOM 478 O GLU A 116 56.233 5.327 -3.558 1.00 0.51 O ATOM 479 CB GLU A 116 58.850 7.076 -4.658 1.00 0.42 C ATOM 480 CG GLU A 116 59.148 8.062 -5.789 1.00 0.94 C ATOM 481 CD GLU A 116 60.609 7.918 -6.219 1.00 0.85 C ATOM 482 OE1 GLU A 116 61.053 6.792 -6.368 1.00 1.28 O ATOM 483 OE2 GLU A 116 61.258 8.937 -6.394 1.00 1.43 O ATOM 0 H GLU A 116 58.452 8.833 -3.009 1.00 0.49 H new ATOM 0 HA GLU A 116 56.700 7.363 -4.925 1.00 0.45 H new ATOM 0 HB2 GLU A 116 59.579 7.196 -3.856 1.00 0.42 H new ATOM 0 HB3 GLU A 116 58.941 6.052 -5.021 1.00 0.42 H new ATOM 0 HG2 GLU A 116 58.488 7.871 -6.635 1.00 0.94 H new ATOM 0 HG3 GLU A 116 58.954 9.082 -5.457 1.00 0.94 H new ATOM 490 N LEU A 117 57.517 6.167 -1.986 1.00 0.37 N ATOM 491 CA LEU A 117 57.136 5.083 -1.036 1.00 0.42 C ATOM 492 C LEU A 117 55.646 5.183 -0.705 1.00 0.50 C ATOM 493 O LEU A 117 54.933 4.199 -0.701 1.00 0.58 O ATOM 494 CB LEU A 117 57.984 5.329 0.213 1.00 0.43 C ATOM 495 CG LEU A 117 57.448 4.483 1.369 1.00 0.61 C ATOM 496 CD1 LEU A 117 57.617 2.999 1.038 1.00 0.90 C ATOM 497 CD2 LEU A 117 58.228 4.811 2.644 1.00 1.53 C ATOM 0 H LEU A 117 58.174 6.856 -1.620 1.00 0.37 H new ATOM 0 HA LEU A 117 57.307 4.089 -1.449 1.00 0.42 H new ATOM 0 HB2 LEU A 117 59.025 5.074 0.014 1.00 0.43 H new ATOM 0 HB3 LEU A 117 57.959 6.386 0.480 1.00 0.43 H new ATOM 0 HG LEU A 117 56.391 4.704 1.520 1.00 0.61 H new ATOM 0 HD11 LEU A 117 57.235 2.397 1.862 1.00 0.90 H new ATOM 0 HD12 LEU A 117 57.063 2.764 0.129 1.00 0.90 H new ATOM 0 HD13 LEU A 117 58.674 2.778 0.887 1.00 0.90 H new ATOM 0 HD21 LEU A 117 57.847 4.209 3.469 1.00 1.53 H new ATOM 0 HD22 LEU A 117 59.284 4.590 2.491 1.00 1.53 H new ATOM 0 HD23 LEU A 117 58.109 5.868 2.882 1.00 1.53 H new ATOM 509 N LYS A 118 55.169 6.367 -0.430 1.00 0.52 N ATOM 510 CA LYS A 118 53.725 6.531 -0.103 1.00 0.63 C ATOM 511 C LYS A 118 52.871 5.752 -1.107 1.00 0.71 C ATOM 512 O LYS A 118 51.779 5.315 -0.804 1.00 0.83 O ATOM 513 CB LYS A 118 53.457 8.032 -0.227 1.00 0.68 C ATOM 514 CG LYS A 118 53.921 8.741 1.047 1.00 1.05 C ATOM 515 CD LYS A 118 53.979 10.249 0.797 1.00 1.33 C ATOM 516 CE LYS A 118 54.888 10.905 1.839 1.00 1.49 C ATOM 517 NZ LYS A 118 54.017 11.886 2.545 1.00 1.82 N ATOM 0 H LYS A 118 55.717 7.227 -0.418 1.00 0.52 H new ATOM 0 HA LYS A 118 53.480 6.155 0.890 1.00 0.63 H new ATOM 0 HB2 LYS A 118 53.983 8.436 -1.092 1.00 0.68 H new ATOM 0 HB3 LYS A 118 52.394 8.210 -0.388 1.00 0.68 H new ATOM 0 HG2 LYS A 118 53.237 8.523 1.867 1.00 1.05 H new ATOM 0 HG3 LYS A 118 54.903 8.373 1.344 1.00 1.05 H new ATOM 0 HD2 LYS A 118 54.356 10.448 -0.206 1.00 1.33 H new ATOM 0 HD3 LYS A 118 52.978 10.676 0.852 1.00 1.33 H new ATOM 0 HE2 LYS A 118 55.293 10.166 2.531 1.00 1.49 H new ATOM 0 HE3 LYS A 118 55.737 11.399 1.367 1.00 1.49 H new ATOM 0 HZ1 LYS A 118 54.374 12.036 3.510 1.00 1.82 H new ATOM 0 HZ2 LYS A 118 54.023 12.789 2.030 1.00 1.82 H new ATOM 0 HZ3 LYS A 118 53.045 11.519 2.589 1.00 1.82 H new ATOM 531 N ILE A 119 53.365 5.578 -2.301 1.00 0.72 N ATOM 532 CA ILE A 119 52.590 4.830 -3.330 1.00 0.84 C ATOM 533 C ILE A 119 52.850 3.327 -3.200 1.00 0.86 C ATOM 534 O ILE A 119 51.935 2.530 -3.173 1.00 0.96 O ATOM 535 CB ILE A 119 53.106 5.354 -4.666 1.00 0.93 C ATOM 536 CG1 ILE A 119 52.577 6.772 -4.889 1.00 1.00 C ATOM 537 CG2 ILE A 119 52.617 4.443 -5.795 1.00 1.06 C ATOM 538 CD1 ILE A 119 53.174 7.341 -6.174 1.00 1.08 C ATOM 0 H ILE A 119 54.274 5.922 -2.609 1.00 0.72 H new ATOM 0 HA ILE A 119 51.514 4.972 -3.225 1.00 0.84 H new ATOM 0 HB ILE A 119 54.196 5.367 -4.658 1.00 0.93 H new ATOM 0 HG12 ILE A 119 51.489 6.760 -4.955 1.00 1.00 H new ATOM 0 HG13 ILE A 119 52.838 7.406 -4.042 1.00 1.00 H new ATOM 0 HG21 ILE A 119 52.986 4.817 -6.750 1.00 1.06 H new ATOM 0 HG22 ILE A 119 52.990 3.431 -5.633 1.00 1.06 H new ATOM 0 HG23 ILE A 119 51.527 4.431 -5.806 1.00 1.06 H new ATOM 0 HD11 ILE A 119 52.798 8.351 -6.334 1.00 1.08 H new ATOM 0 HD12 ILE A 119 54.260 7.368 -6.090 1.00 1.08 H new ATOM 0 HD13 ILE A 119 52.891 6.711 -7.017 1.00 1.08 H new ATOM 550 N MET A 120 54.093 2.935 -3.118 1.00 0.82 N ATOM 551 CA MET A 120 54.409 1.484 -2.989 1.00 0.92 C ATOM 552 C MET A 120 53.573 0.859 -1.867 1.00 0.92 C ATOM 553 O MET A 120 52.905 -0.137 -2.059 1.00 1.01 O ATOM 554 CB MET A 120 55.899 1.432 -2.644 1.00 0.96 C ATOM 555 CG MET A 120 56.249 0.053 -2.081 1.00 1.50 C ATOM 556 SD MET A 120 58.031 -0.039 -1.774 1.00 2.13 S ATOM 557 CE MET A 120 57.968 -1.281 -0.459 1.00 2.73 C ATOM 0 H MET A 120 54.902 3.556 -3.135 1.00 0.82 H new ATOM 0 HA MET A 120 54.183 0.928 -3.899 1.00 0.92 H new ATOM 0 HB2 MET A 120 56.496 1.635 -3.533 1.00 0.96 H new ATOM 0 HB3 MET A 120 56.141 2.205 -1.915 1.00 0.96 H new ATOM 0 HG2 MET A 120 55.700 -0.124 -1.156 1.00 1.50 H new ATOM 0 HG3 MET A 120 55.949 -0.725 -2.783 1.00 1.50 H new ATOM 0 HE1 MET A 120 58.245 -0.821 0.489 1.00 2.73 H new ATOM 0 HE2 MET A 120 56.957 -1.682 -0.386 1.00 2.73 H new ATOM 0 HE3 MET A 120 58.663 -2.089 -0.688 1.00 2.73 H new ATOM 567 N LEU A 121 53.604 1.438 -0.698 1.00 0.88 N ATOM 568 CA LEU A 121 52.807 0.878 0.433 1.00 0.96 C ATOM 569 C LEU A 121 51.344 0.737 0.021 1.00 0.99 C ATOM 570 O LEU A 121 50.686 -0.230 0.349 1.00 1.12 O ATOM 571 CB LEU A 121 52.930 1.903 1.558 1.00 0.98 C ATOM 572 CG LEU A 121 54.403 2.248 1.805 1.00 1.19 C ATOM 573 CD1 LEU A 121 54.543 2.931 3.166 1.00 1.51 C ATOM 574 CD2 LEU A 121 55.243 0.968 1.794 1.00 1.81 C ATOM 0 H LEU A 121 54.146 2.273 -0.476 1.00 0.88 H new ATOM 0 HA LEU A 121 53.162 -0.108 0.733 1.00 0.96 H new ATOM 0 HB2 LEU A 121 52.377 2.806 1.299 1.00 0.98 H new ATOM 0 HB3 LEU A 121 52.484 1.507 2.470 1.00 0.98 H new ATOM 0 HG LEU A 121 54.752 2.917 1.019 1.00 1.19 H new ATOM 0 HD11 LEU A 121 55.590 3.177 3.344 1.00 1.51 H new ATOM 0 HD12 LEU A 121 53.948 3.844 3.178 1.00 1.51 H new ATOM 0 HD13 LEU A 121 54.191 2.259 3.948 1.00 1.51 H new ATOM 0 HD21 LEU A 121 56.289 1.218 1.970 1.00 1.81 H new ATOM 0 HD22 LEU A 121 54.893 0.297 2.578 1.00 1.81 H new ATOM 0 HD23 LEU A 121 55.145 0.477 0.826 1.00 1.81 H new ATOM 586 N GLN A 122 50.827 1.698 -0.695 1.00 0.95 N ATOM 587 CA GLN A 122 49.406 1.618 -1.131 1.00 1.05 C ATOM 588 C GLN A 122 49.227 0.416 -2.053 1.00 1.12 C ATOM 589 O GLN A 122 48.212 -0.252 -2.035 1.00 1.24 O ATOM 590 CB GLN A 122 49.144 2.923 -1.880 1.00 1.07 C ATOM 591 CG GLN A 122 48.514 3.933 -0.923 1.00 1.49 C ATOM 592 CD GLN A 122 48.145 5.206 -1.689 1.00 1.51 C ATOM 593 OE1 GLN A 122 47.281 5.950 -1.271 1.00 2.24 O ATOM 594 NE2 GLN A 122 48.768 5.487 -2.799 1.00 1.52 N ATOM 0 H GLN A 122 51.328 2.534 -0.996 1.00 0.95 H new ATOM 0 HA GLN A 122 48.714 1.493 -0.298 1.00 1.05 H new ATOM 0 HB2 GLN A 122 50.076 3.318 -2.283 1.00 1.07 H new ATOM 0 HB3 GLN A 122 48.481 2.744 -2.727 1.00 1.07 H new ATOM 0 HG2 GLN A 122 47.625 3.505 -0.460 1.00 1.49 H new ATOM 0 HG3 GLN A 122 49.210 4.170 -0.118 1.00 1.49 H new ATOM 0 HE21 GLN A 122 49.494 4.861 -3.149 1.00 1.52 H new ATOM 0 HE22 GLN A 122 48.530 6.333 -3.317 1.00 1.52 H new ATOM 603 N ALA A 123 50.218 0.125 -2.850 1.00 1.11 N ATOM 604 CA ALA A 123 50.115 -1.046 -3.759 1.00 1.26 C ATOM 605 C ALA A 123 50.108 -2.324 -2.924 1.00 1.39 C ATOM 606 O ALA A 123 49.689 -3.373 -3.372 1.00 1.55 O ATOM 607 CB ALA A 123 51.362 -0.979 -4.641 1.00 1.31 C ATOM 0 H ALA A 123 51.092 0.647 -2.910 1.00 1.11 H new ATOM 0 HA ALA A 123 49.206 -1.041 -4.360 1.00 1.26 H new ATOM 0 HB1 ALA A 123 51.358 -1.814 -5.341 1.00 1.31 H new ATOM 0 HB2 ALA A 123 51.365 -0.041 -5.195 1.00 1.31 H new ATOM 0 HB3 ALA A 123 52.253 -1.034 -4.016 1.00 1.31 H new ATOM 682 N THR A 129 48.523 6.640 6.213 1.00 1.18 N ATOM 683 CA THR A 129 48.656 7.885 5.403 1.00 1.21 C ATOM 684 C THR A 129 50.058 8.478 5.570 1.00 1.10 C ATOM 685 O THR A 129 50.948 7.850 6.109 1.00 1.04 O ATOM 686 CB THR A 129 47.598 8.839 5.963 1.00 1.37 C ATOM 687 OG1 THR A 129 47.747 8.935 7.372 1.00 1.63 O ATOM 688 CG2 THR A 129 46.202 8.310 5.630 1.00 1.63 C ATOM 0 HA THR A 129 48.515 7.701 4.338 1.00 1.21 H new ATOM 0 HB THR A 129 47.726 9.825 5.516 1.00 1.37 H new ATOM 0 HG1 THR A 129 48.130 8.102 7.718 1.00 1.63 H new ATOM 0 HG21 THR A 129 45.450 8.991 6.030 1.00 1.63 H new ATOM 0 HG22 THR A 129 46.088 8.238 4.548 1.00 1.63 H new ATOM 0 HG23 THR A 129 46.071 7.323 6.075 1.00 1.63 H new ATOM 696 N GLU A 130 50.262 9.682 5.109 1.00 1.13 N ATOM 697 CA GLU A 130 51.606 10.315 5.240 1.00 1.09 C ATOM 698 C GLU A 130 52.019 10.393 6.712 1.00 1.03 C ATOM 699 O GLU A 130 53.177 10.567 7.033 1.00 0.98 O ATOM 700 CB GLU A 130 51.442 11.718 4.655 1.00 1.23 C ATOM 701 CG GLU A 130 50.358 12.470 5.430 1.00 1.68 C ATOM 702 CD GLU A 130 51.007 13.541 6.308 1.00 2.20 C ATOM 703 OE1 GLU A 130 52.128 13.921 6.014 1.00 2.66 O ATOM 704 OE2 GLU A 130 50.371 13.964 7.260 1.00 2.77 O ATOM 0 H GLU A 130 49.556 10.255 4.647 1.00 1.13 H new ATOM 0 HA GLU A 130 52.380 9.745 4.726 1.00 1.09 H new ATOM 0 HB2 GLU A 130 52.386 12.260 4.711 1.00 1.23 H new ATOM 0 HB3 GLU A 130 51.173 11.655 3.601 1.00 1.23 H new ATOM 0 HG2 GLU A 130 49.654 12.931 4.737 1.00 1.68 H new ATOM 0 HG3 GLU A 130 49.789 11.775 6.047 1.00 1.68 H new ATOM 711 N ASP A 131 51.080 10.266 7.610 1.00 1.08 N ATOM 712 CA ASP A 131 51.423 10.335 9.059 1.00 1.10 C ATOM 713 C ASP A 131 51.962 8.984 9.539 1.00 0.95 C ATOM 714 O ASP A 131 52.826 8.918 10.392 1.00 0.88 O ATOM 715 CB ASP A 131 50.107 10.668 9.763 1.00 1.27 C ATOM 716 CG ASP A 131 50.389 11.540 10.987 1.00 1.65 C ATOM 717 OD1 ASP A 131 51.267 11.183 11.756 1.00 2.28 O ATOM 718 OD2 ASP A 131 49.723 12.552 11.136 1.00 2.09 O ATOM 0 H ASP A 131 50.092 10.118 7.403 1.00 1.08 H new ATOM 0 HA ASP A 131 52.194 11.077 9.266 1.00 1.10 H new ATOM 0 HB2 ASP A 131 49.438 11.189 9.078 1.00 1.27 H new ATOM 0 HB3 ASP A 131 49.602 9.751 10.066 1.00 1.27 H new ATOM 723 N ASP A 132 51.462 7.907 8.998 1.00 0.96 N ATOM 724 CA ASP A 132 51.947 6.563 9.425 1.00 0.88 C ATOM 725 C ASP A 132 53.122 6.121 8.548 1.00 0.76 C ATOM 726 O ASP A 132 53.754 5.114 8.801 1.00 0.72 O ATOM 727 CB ASP A 132 50.752 5.629 9.230 1.00 0.99 C ATOM 728 CG ASP A 132 50.244 5.158 10.594 1.00 1.31 C ATOM 729 OD1 ASP A 132 49.959 6.007 11.423 1.00 1.70 O ATOM 730 OD2 ASP A 132 50.146 3.958 10.786 1.00 1.95 O ATOM 0 H ASP A 132 50.739 7.899 8.279 1.00 0.96 H new ATOM 0 HA ASP A 132 52.302 6.561 10.456 1.00 0.88 H new ATOM 0 HB2 ASP A 132 49.957 6.146 8.693 1.00 0.99 H new ATOM 0 HB3 ASP A 132 51.042 4.772 8.622 1.00 0.99 H new ATOM 735 N ILE A 133 53.420 6.865 7.518 1.00 0.78 N ATOM 736 CA ILE A 133 54.553 6.487 6.626 1.00 0.73 C ATOM 737 C ILE A 133 55.754 7.403 6.881 1.00 0.66 C ATOM 738 O ILE A 133 56.887 6.964 6.913 1.00 0.63 O ATOM 739 CB ILE A 133 54.022 6.681 5.206 1.00 0.84 C ATOM 740 CG1 ILE A 133 53.075 5.531 4.855 1.00 0.91 C ATOM 741 CG2 ILE A 133 55.190 6.698 4.220 1.00 1.14 C ATOM 742 CD1 ILE A 133 52.479 5.765 3.465 1.00 0.96 C ATOM 0 H ILE A 133 52.928 7.719 7.255 1.00 0.78 H new ATOM 0 HA ILE A 133 54.891 5.465 6.798 1.00 0.73 H new ATOM 0 HB ILE A 133 53.484 7.627 5.146 1.00 0.84 H new ATOM 0 HG12 ILE A 133 53.613 4.583 4.876 1.00 0.91 H new ATOM 0 HG13 ILE A 133 52.279 5.462 5.597 1.00 0.91 H new ATOM 0 HG21 ILE A 133 54.810 6.836 3.208 1.00 1.14 H new ATOM 0 HG22 ILE A 133 55.865 7.517 4.469 1.00 1.14 H new ATOM 0 HG23 ILE A 133 55.730 5.753 4.279 1.00 1.14 H new ATOM 0 HD11 ILE A 133 51.805 4.946 3.216 1.00 0.96 H new ATOM 0 HD12 ILE A 133 51.926 6.704 3.460 1.00 0.96 H new ATOM 0 HD13 ILE A 133 53.281 5.812 2.728 1.00 0.96 H new ATOM 754 N GLU A 134 55.514 8.673 7.063 1.00 0.73 N ATOM 755 CA GLU A 134 56.641 9.616 7.315 1.00 0.77 C ATOM 756 C GLU A 134 57.404 9.204 8.577 1.00 0.70 C ATOM 757 O GLU A 134 58.512 9.644 8.814 1.00 0.68 O ATOM 758 CB GLU A 134 55.978 10.981 7.510 1.00 0.96 C ATOM 759 CG GLU A 134 55.742 11.633 6.147 1.00 0.95 C ATOM 760 CD GLU A 134 55.605 13.147 6.322 1.00 1.60 C ATOM 761 OE1 GLU A 134 56.625 13.817 6.336 1.00 2.27 O ATOM 762 OE2 GLU A 134 54.483 13.610 6.441 1.00 2.07 O ATOM 0 H GLU A 134 54.587 9.098 7.048 1.00 0.73 H new ATOM 0 HA GLU A 134 57.362 9.626 6.498 1.00 0.77 H new ATOM 0 HB2 GLU A 134 55.032 10.865 8.038 1.00 0.96 H new ATOM 0 HB3 GLU A 134 56.611 11.620 8.126 1.00 0.96 H new ATOM 0 HG2 GLU A 134 56.571 11.407 5.476 1.00 0.95 H new ATOM 0 HG3 GLU A 134 54.841 11.226 5.689 1.00 0.95 H new ATOM 769 N GLU A 135 56.821 8.365 9.389 1.00 0.74 N ATOM 770 CA GLU A 135 57.517 7.927 10.633 1.00 0.76 C ATOM 771 C GLU A 135 58.371 6.688 10.357 1.00 0.66 C ATOM 772 O GLU A 135 59.364 6.448 11.015 1.00 0.74 O ATOM 773 CB GLU A 135 56.396 7.597 11.619 1.00 0.88 C ATOM 774 CG GLU A 135 57.002 7.229 12.976 1.00 1.20 C ATOM 775 CD GLU A 135 55.909 6.666 13.887 1.00 1.48 C ATOM 776 OE1 GLU A 135 54.748 6.789 13.532 1.00 1.95 O ATOM 777 OE2 GLU A 135 56.251 6.120 14.923 1.00 2.16 O ATOM 0 H GLU A 135 55.894 7.964 9.245 1.00 0.74 H new ATOM 0 HA GLU A 135 58.189 8.693 11.020 1.00 0.76 H new ATOM 0 HB2 GLU A 135 55.728 8.452 11.727 1.00 0.88 H new ATOM 0 HB3 GLU A 135 55.796 6.770 11.240 1.00 0.88 H new ATOM 0 HG2 GLU A 135 57.795 6.493 12.844 1.00 1.20 H new ATOM 0 HG3 GLU A 135 57.455 8.108 13.434 1.00 1.20 H new ATOM 784 N LEU A 136 57.995 5.897 9.389 1.00 0.62 N ATOM 785 CA LEU A 136 58.789 4.674 9.075 1.00 0.66 C ATOM 786 C LEU A 136 60.017 5.040 8.237 1.00 0.61 C ATOM 787 O LEU A 136 61.129 4.659 8.548 1.00 0.70 O ATOM 788 CB LEU A 136 57.841 3.780 8.274 1.00 0.77 C ATOM 789 CG LEU A 136 57.748 2.408 8.942 1.00 0.86 C ATOM 790 CD1 LEU A 136 56.895 1.478 8.081 1.00 1.63 C ATOM 791 CD2 LEU A 136 59.153 1.821 9.093 1.00 1.38 C ATOM 0 H LEU A 136 57.174 6.044 8.803 1.00 0.62 H new ATOM 0 HA LEU A 136 59.155 4.178 9.974 1.00 0.66 H new ATOM 0 HB2 LEU A 136 56.853 4.237 8.219 1.00 0.77 H new ATOM 0 HB3 LEU A 136 58.201 3.674 7.251 1.00 0.77 H new ATOM 0 HG LEU A 136 57.289 2.512 9.925 1.00 0.86 H new ATOM 0 HD11 LEU A 136 56.829 0.500 8.557 1.00 1.63 H new ATOM 0 HD12 LEU A 136 55.895 1.898 7.973 1.00 1.63 H new ATOM 0 HD13 LEU A 136 57.352 1.372 7.097 1.00 1.63 H new ATOM 0 HD21 LEU A 136 59.089 0.843 9.569 1.00 1.38 H new ATOM 0 HD22 LEU A 136 59.611 1.717 8.110 1.00 1.38 H new ATOM 0 HD23 LEU A 136 59.761 2.485 9.708 1.00 1.38 H new ATOM 803 N MET A 137 59.827 5.778 7.178 1.00 0.55 N ATOM 804 CA MET A 137 60.984 6.169 6.322 1.00 0.59 C ATOM 805 C MET A 137 62.128 6.714 7.185 1.00 0.65 C ATOM 806 O MET A 137 63.271 6.729 6.776 1.00 0.81 O ATOM 807 CB MET A 137 60.440 7.261 5.400 1.00 0.60 C ATOM 808 CG MET A 137 60.218 6.683 4.002 1.00 0.96 C ATOM 809 SD MET A 137 61.717 6.902 3.013 1.00 1.23 S ATOM 810 CE MET A 137 61.110 6.106 1.506 1.00 1.35 C ATOM 0 H MET A 137 58.920 6.128 6.868 1.00 0.55 H new ATOM 0 HA MET A 137 61.387 5.324 5.763 1.00 0.59 H new ATOM 0 HB2 MET A 137 59.503 7.653 5.796 1.00 0.60 H new ATOM 0 HB3 MET A 137 61.140 8.095 5.353 1.00 0.60 H new ATOM 0 HG2 MET A 137 59.966 5.625 4.070 1.00 0.96 H new ATOM 0 HG3 MET A 137 59.376 7.181 3.521 1.00 0.96 H new ATOM 0 HE1 MET A 137 61.839 6.237 0.706 1.00 1.35 H new ATOM 0 HE2 MET A 137 60.961 5.042 1.691 1.00 1.35 H new ATOM 0 HE3 MET A 137 60.163 6.559 1.211 1.00 1.35 H new ATOM 820 N LYS A 138 61.829 7.164 8.374 1.00 0.62 N ATOM 821 CA LYS A 138 62.904 7.707 9.255 1.00 0.79 C ATOM 822 C LYS A 138 63.937 6.620 9.567 1.00 0.86 C ATOM 823 O LYS A 138 65.128 6.837 9.472 1.00 1.16 O ATOM 824 CB LYS A 138 62.189 8.146 10.534 1.00 0.87 C ATOM 825 CG LYS A 138 63.215 8.696 11.527 1.00 1.55 C ATOM 826 CD LYS A 138 62.772 8.369 12.956 1.00 2.07 C ATOM 827 CE LYS A 138 61.313 8.788 13.147 1.00 2.85 C ATOM 828 NZ LYS A 138 61.004 8.463 14.568 1.00 3.36 N ATOM 0 H LYS A 138 60.890 7.179 8.773 1.00 0.62 H new ATOM 0 HA LYS A 138 63.441 8.530 8.785 1.00 0.79 H new ATOM 0 HB2 LYS A 138 61.444 8.908 10.304 1.00 0.87 H new ATOM 0 HB3 LYS A 138 61.657 7.303 10.974 1.00 0.87 H new ATOM 0 HG2 LYS A 138 64.195 8.262 11.331 1.00 1.55 H new ATOM 0 HG3 LYS A 138 63.314 9.774 11.404 1.00 1.55 H new ATOM 0 HD2 LYS A 138 62.883 7.302 13.147 1.00 2.07 H new ATOM 0 HD3 LYS A 138 63.408 8.889 13.673 1.00 2.07 H new ATOM 0 HE2 LYS A 138 61.178 9.851 12.946 1.00 2.85 H new ATOM 0 HE3 LYS A 138 60.655 8.249 12.466 1.00 2.85 H new ATOM 0 HZ1 LYS A 138 60.019 8.722 14.777 1.00 3.36 H new ATOM 0 HZ2 LYS A 138 61.135 7.444 14.727 1.00 3.36 H new ATOM 0 HZ3 LYS A 138 61.642 8.996 15.193 1.00 3.36 H new ATOM 842 N ASP A 139 63.490 5.452 9.943 1.00 0.71 N ATOM 843 CA ASP A 139 64.449 4.353 10.263 1.00 0.85 C ATOM 844 C ASP A 139 64.953 3.695 8.977 1.00 0.85 C ATOM 845 O ASP A 139 66.071 3.225 8.906 1.00 1.02 O ATOM 846 CB ASP A 139 63.643 3.356 11.096 1.00 0.97 C ATOM 847 CG ASP A 139 64.476 2.901 12.295 1.00 1.50 C ATOM 848 OD1 ASP A 139 64.738 3.725 13.156 1.00 2.33 O ATOM 849 OD2 ASP A 139 64.838 1.737 12.332 1.00 1.80 O ATOM 0 H ASP A 139 62.504 5.211 10.043 1.00 0.71 H new ATOM 0 HA ASP A 139 65.328 4.715 10.797 1.00 0.85 H new ATOM 0 HB2 ASP A 139 62.716 3.817 11.438 1.00 0.97 H new ATOM 0 HB3 ASP A 139 63.365 2.497 10.486 1.00 0.97 H new ATOM 854 N GLY A 140 64.137 3.654 7.959 1.00 0.81 N ATOM 855 CA GLY A 140 64.572 3.023 6.680 1.00 0.86 C ATOM 856 C GLY A 140 65.801 3.755 6.139 1.00 0.77 C ATOM 857 O GLY A 140 66.715 3.150 5.616 1.00 0.86 O ATOM 0 H GLY A 140 63.189 4.030 7.957 1.00 0.81 H new ATOM 0 HA2 GLY A 140 64.805 1.971 6.843 1.00 0.86 H new ATOM 0 HA3 GLY A 140 63.763 3.061 5.950 1.00 0.86 H new ATOM 861 N ASP A 141 65.831 5.054 6.257 1.00 0.70 N ATOM 862 CA ASP A 141 67.002 5.823 5.746 1.00 0.66 C ATOM 863 C ASP A 141 68.201 5.646 6.681 1.00 0.74 C ATOM 864 O ASP A 141 68.197 6.104 7.806 1.00 0.87 O ATOM 865 CB ASP A 141 66.542 7.281 5.732 1.00 0.66 C ATOM 866 CG ASP A 141 66.601 7.822 4.301 1.00 0.76 C ATOM 867 OD1 ASP A 141 67.221 7.178 3.470 1.00 0.92 O ATOM 868 OD2 ASP A 141 66.028 8.872 4.061 1.00 0.83 O ATOM 0 H ASP A 141 65.096 5.617 6.685 1.00 0.70 H new ATOM 0 HA ASP A 141 67.319 5.486 4.759 1.00 0.66 H new ATOM 0 HB2 ASP A 141 65.526 7.356 6.119 1.00 0.66 H new ATOM 0 HB3 ASP A 141 67.177 7.880 6.385 1.00 0.66 H new ATOM 873 N LYS A 142 69.228 4.984 6.223 1.00 0.75 N ATOM 874 CA LYS A 142 70.427 4.778 7.084 1.00 0.87 C ATOM 875 C LYS A 142 71.208 6.087 7.221 1.00 0.89 C ATOM 876 O LYS A 142 72.059 6.227 8.077 1.00 1.05 O ATOM 877 CB LYS A 142 71.264 3.728 6.354 1.00 0.89 C ATOM 878 CG LYS A 142 71.636 2.605 7.323 1.00 1.24 C ATOM 879 CD LYS A 142 72.768 1.769 6.723 1.00 1.26 C ATOM 880 CE LYS A 142 73.131 0.635 7.684 1.00 1.55 C ATOM 881 NZ LYS A 142 73.057 -0.604 6.861 1.00 1.99 N ATOM 0 H LYS A 142 69.289 4.577 5.290 1.00 0.75 H new ATOM 0 HA LYS A 142 70.162 4.458 8.092 1.00 0.87 H new ATOM 0 HB2 LYS A 142 70.704 3.324 5.511 1.00 0.89 H new ATOM 0 HB3 LYS A 142 72.166 4.185 5.948 1.00 0.89 H new ATOM 0 HG2 LYS A 142 71.947 3.024 8.280 1.00 1.24 H new ATOM 0 HG3 LYS A 142 70.768 1.975 7.517 1.00 1.24 H new ATOM 0 HD2 LYS A 142 72.461 1.360 5.760 1.00 1.26 H new ATOM 0 HD3 LYS A 142 73.640 2.397 6.539 1.00 1.26 H new ATOM 0 HE2 LYS A 142 74.129 0.774 8.100 1.00 1.55 H new ATOM 0 HE3 LYS A 142 72.438 0.593 8.525 1.00 1.55 H new ATOM 0 HZ1 LYS A 142 73.293 -1.427 7.451 1.00 1.99 H new ATOM 0 HZ2 LYS A 142 72.094 -0.713 6.484 1.00 1.99 H new ATOM 0 HZ3 LYS A 142 73.732 -0.538 6.073 1.00 1.99 H new ATOM 895 N ASN A 143 70.923 7.047 6.384 1.00 0.85 N ATOM 896 CA ASN A 143 71.647 8.347 6.468 1.00 1.05 C ATOM 897 C ASN A 143 70.644 9.502 6.519 1.00 1.07 C ATOM 898 O ASN A 143 71.015 10.659 6.532 1.00 1.56 O ATOM 899 CB ASN A 143 72.486 8.419 5.191 1.00 1.08 C ATOM 900 CG ASN A 143 71.563 8.519 3.976 1.00 1.05 C ATOM 901 OD1 ASN A 143 70.361 8.400 4.099 1.00 0.98 O ATOM 902 ND2 ASN A 143 72.080 8.734 2.797 1.00 1.48 N ATOM 0 H ASN A 143 70.221 6.987 5.646 1.00 0.85 H new ATOM 0 HA ASN A 143 72.265 8.421 7.363 1.00 1.05 H new ATOM 0 HB2 ASN A 143 73.150 9.283 5.228 1.00 1.08 H new ATOM 0 HB3 ASN A 143 73.118 7.535 5.109 1.00 1.08 H new ATOM 0 HD21 ASN A 143 71.474 8.802 1.979 1.00 1.48 H new ATOM 0 HD22 ASN A 143 73.090 8.834 2.693 1.00 1.48 H new ATOM 909 N ASN A 144 69.376 9.196 6.551 1.00 0.78 N ATOM 910 CA ASN A 144 68.349 10.274 6.603 1.00 0.82 C ATOM 911 C ASN A 144 68.687 11.378 5.597 1.00 0.82 C ATOM 912 O ASN A 144 69.108 12.458 5.963 1.00 0.92 O ATOM 913 CB ASN A 144 68.414 10.811 8.033 1.00 0.95 C ATOM 914 CG ASN A 144 67.607 9.897 8.959 1.00 1.47 C ATOM 915 OD1 ASN A 144 66.402 10.014 9.049 1.00 2.28 O ATOM 916 ND2 ASN A 144 68.227 8.982 9.657 1.00 1.93 N ATOM 0 H ASN A 144 69.007 8.245 6.543 1.00 0.78 H new ATOM 0 HA ASN A 144 67.354 9.910 6.349 1.00 0.82 H new ATOM 0 HB2 ASN A 144 69.450 10.861 8.367 1.00 0.95 H new ATOM 0 HB3 ASN A 144 68.017 11.826 8.070 1.00 0.95 H new ATOM 0 HD21 ASN A 144 67.698 8.368 10.276 1.00 1.93 H new ATOM 0 HD22 ASN A 144 69.239 8.882 9.582 1.00 1.93 H new ATOM 923 N ASP A 145 68.508 11.114 4.333 1.00 0.75 N ATOM 924 CA ASP A 145 68.819 12.147 3.303 1.00 0.78 C ATOM 925 C ASP A 145 67.572 12.447 2.466 1.00 0.74 C ATOM 926 O ASP A 145 67.537 13.390 1.702 1.00 0.81 O ATOM 927 CB ASP A 145 69.909 11.522 2.431 1.00 0.76 C ATOM 928 CG ASP A 145 69.300 10.421 1.561 1.00 1.12 C ATOM 929 OD1 ASP A 145 68.227 9.950 1.902 1.00 1.72 O ATOM 930 OD2 ASP A 145 69.915 10.067 0.570 1.00 1.85 O ATOM 0 H ASP A 145 68.160 10.228 3.967 1.00 0.75 H new ATOM 0 HA ASP A 145 69.142 13.089 3.746 1.00 0.78 H new ATOM 0 HB2 ASP A 145 70.368 12.285 1.802 1.00 0.76 H new ATOM 0 HB3 ASP A 145 70.699 11.109 3.058 1.00 0.76 H new ATOM 935 N GLY A 146 66.547 11.650 2.605 1.00 0.69 N ATOM 936 CA GLY A 146 65.304 11.890 1.818 1.00 0.70 C ATOM 937 C GLY A 146 65.075 10.723 0.857 1.00 0.58 C ATOM 938 O GLY A 146 63.997 10.169 0.782 1.00 0.62 O ATOM 0 H GLY A 146 66.517 10.844 3.229 1.00 0.69 H new ATOM 0 HA2 GLY A 146 64.451 11.995 2.489 1.00 0.70 H new ATOM 0 HA3 GLY A 146 65.388 12.823 1.260 1.00 0.70 H new ATOM 942 N ARG A 147 66.081 10.344 0.117 1.00 0.54 N ATOM 943 CA ARG A 147 65.919 9.213 -0.841 1.00 0.49 C ATOM 944 C ARG A 147 66.373 7.901 -0.195 1.00 0.44 C ATOM 945 O ARG A 147 66.967 7.891 0.864 1.00 0.56 O ATOM 946 CB ARG A 147 66.818 9.565 -2.026 1.00 0.57 C ATOM 947 CG ARG A 147 66.096 10.559 -2.937 1.00 0.78 C ATOM 948 CD ARG A 147 67.099 11.181 -3.910 1.00 0.73 C ATOM 949 NE ARG A 147 67.510 12.462 -3.271 1.00 1.07 N ATOM 950 CZ ARG A 147 66.613 13.368 -2.990 1.00 1.60 C ATOM 951 NH1 ARG A 147 65.411 13.272 -3.487 1.00 2.22 N ATOM 952 NH2 ARG A 147 66.920 14.371 -2.213 1.00 2.32 N ATOM 0 H ARG A 147 67.008 10.769 0.134 1.00 0.54 H new ATOM 0 HA ARG A 147 64.881 9.075 -1.143 1.00 0.49 H new ATOM 0 HB2 ARG A 147 67.754 9.995 -1.671 1.00 0.57 H new ATOM 0 HB3 ARG A 147 67.073 8.663 -2.583 1.00 0.57 H new ATOM 0 HG2 ARG A 147 65.304 10.053 -3.489 1.00 0.78 H new ATOM 0 HG3 ARG A 147 65.622 11.338 -2.340 1.00 0.78 H new ATOM 0 HD2 ARG A 147 67.955 10.525 -4.067 1.00 0.73 H new ATOM 0 HD3 ARG A 147 66.647 11.354 -4.887 1.00 0.73 H new ATOM 0 HE ARG A 147 68.492 12.631 -3.053 1.00 1.07 H new ATOM 0 HH11 ARG A 147 65.172 12.489 -4.095 1.00 2.22 H new ATOM 0 HH12 ARG A 147 64.710 13.980 -3.267 1.00 2.22 H new ATOM 0 HH21 ARG A 147 67.861 14.447 -1.826 1.00 2.32 H new ATOM 0 HH22 ARG A 147 66.219 15.079 -1.993 1.00 2.32 H new ATOM 966 N ILE A 148 66.099 6.794 -0.830 1.00 0.35 N ATOM 967 CA ILE A 148 66.514 5.480 -0.259 1.00 0.36 C ATOM 968 C ILE A 148 67.114 4.600 -1.361 1.00 0.40 C ATOM 969 O ILE A 148 66.585 4.506 -2.452 1.00 0.41 O ATOM 970 CB ILE A 148 65.222 4.867 0.301 1.00 0.35 C ATOM 971 CG1 ILE A 148 64.996 5.383 1.725 1.00 0.40 C ATOM 972 CG2 ILE A 148 65.330 3.338 0.328 1.00 0.43 C ATOM 973 CD1 ILE A 148 63.894 4.562 2.400 1.00 0.40 C ATOM 0 H ILE A 148 65.605 6.742 -1.721 1.00 0.35 H new ATOM 0 HA ILE A 148 67.277 5.577 0.514 1.00 0.36 H new ATOM 0 HB ILE A 148 64.386 5.153 -0.337 1.00 0.35 H new ATOM 0 HG12 ILE A 148 65.920 5.312 2.299 1.00 0.40 H new ATOM 0 HG13 ILE A 148 64.716 6.436 1.701 1.00 0.40 H new ATOM 0 HG21 ILE A 148 64.408 2.915 0.727 1.00 0.43 H new ATOM 0 HG22 ILE A 148 65.491 2.967 -0.684 1.00 0.43 H new ATOM 0 HG23 ILE A 148 66.168 3.044 0.960 1.00 0.43 H new ATOM 0 HD11 ILE A 148 63.735 4.931 3.413 1.00 0.40 H new ATOM 0 HD12 ILE A 148 62.970 4.656 1.830 1.00 0.40 H new ATOM 0 HD13 ILE A 148 64.192 3.514 2.438 1.00 0.40 H new ATOM 985 N ASP A 149 68.215 3.958 -1.085 1.00 0.47 N ATOM 986 CA ASP A 149 68.849 3.087 -2.117 1.00 0.55 C ATOM 987 C ASP A 149 68.664 1.611 -1.748 1.00 0.58 C ATOM 988 O ASP A 149 67.931 1.274 -0.839 1.00 0.54 O ATOM 989 CB ASP A 149 70.330 3.469 -2.107 1.00 0.65 C ATOM 990 CG ASP A 149 70.847 3.497 -0.667 1.00 1.32 C ATOM 991 OD1 ASP A 149 71.275 2.459 -0.192 1.00 2.16 O ATOM 992 OD2 ASP A 149 70.808 4.557 -0.065 1.00 2.00 O ATOM 0 H ASP A 149 68.704 3.998 -0.191 1.00 0.47 H new ATOM 0 HA ASP A 149 68.405 3.223 -3.103 1.00 0.55 H new ATOM 0 HB2 ASP A 149 70.904 2.753 -2.696 1.00 0.65 H new ATOM 0 HB3 ASP A 149 70.467 4.446 -2.571 1.00 0.65 H new ATOM 997 N TYR A 150 69.318 0.727 -2.453 1.00 0.67 N ATOM 998 CA TYR A 150 69.175 -0.727 -2.149 1.00 0.73 C ATOM 999 C TYR A 150 69.615 -1.025 -0.713 1.00 0.75 C ATOM 1000 O TYR A 150 69.119 -1.936 -0.080 1.00 0.76 O ATOM 1001 CB TYR A 150 70.094 -1.431 -3.149 1.00 0.84 C ATOM 1002 CG TYR A 150 69.972 -2.926 -2.977 1.00 0.97 C ATOM 1003 CD1 TYR A 150 68.727 -3.498 -2.695 1.00 1.63 C ATOM 1004 CD2 TYR A 150 71.105 -3.739 -3.097 1.00 1.74 C ATOM 1005 CE1 TYR A 150 68.614 -4.884 -2.534 1.00 2.06 C ATOM 1006 CE2 TYR A 150 70.992 -5.125 -2.937 1.00 2.14 C ATOM 1007 CZ TYR A 150 69.747 -5.698 -2.655 1.00 2.02 C ATOM 1008 OH TYR A 150 69.635 -7.064 -2.496 1.00 2.63 O ATOM 0 H TYR A 150 69.945 0.949 -3.226 1.00 0.67 H new ATOM 0 HA TYR A 150 68.141 -1.063 -2.233 1.00 0.73 H new ATOM 0 HB2 TYR A 150 69.826 -1.148 -4.167 1.00 0.84 H new ATOM 0 HB3 TYR A 150 71.127 -1.119 -2.993 1.00 0.84 H new ATOM 0 HD1 TYR A 150 67.853 -2.870 -2.601 1.00 1.63 H new ATOM 0 HD2 TYR A 150 72.066 -3.297 -3.313 1.00 1.74 H new ATOM 0 HE1 TYR A 150 67.653 -5.326 -2.316 1.00 2.06 H new ATOM 0 HE2 TYR A 150 71.866 -5.752 -3.031 1.00 2.14 H new ATOM 0 HH TYR A 150 70.515 -7.480 -2.613 1.00 2.63 H new ATOM 1018 N ASP A 151 70.545 -0.271 -0.194 1.00 0.78 N ATOM 1019 CA ASP A 151 71.016 -0.521 1.201 1.00 0.82 C ATOM 1020 C ASP A 151 70.019 0.052 2.214 1.00 0.74 C ATOM 1021 O ASP A 151 69.402 -0.673 2.969 1.00 0.76 O ATOM 1022 CB ASP A 151 72.359 0.204 1.302 1.00 0.87 C ATOM 1023 CG ASP A 151 73.491 -0.824 1.325 1.00 1.31 C ATOM 1024 OD1 ASP A 151 73.331 -1.866 0.712 1.00 2.08 O ATOM 1025 OD2 ASP A 151 74.499 -0.552 1.956 1.00 1.67 O ATOM 0 H ASP A 151 70.999 0.506 -0.673 1.00 0.78 H new ATOM 0 HA ASP A 151 71.108 -1.585 1.418 1.00 0.82 H new ATOM 0 HB2 ASP A 151 72.484 0.880 0.456 1.00 0.87 H new ATOM 0 HB3 ASP A 151 72.388 0.814 2.205 1.00 0.87 H new ATOM 1030 N GLU A 152 69.862 1.348 2.241 1.00 0.67 N ATOM 1031 CA GLU A 152 68.911 1.966 3.210 1.00 0.61 C ATOM 1032 C GLU A 152 67.542 1.282 3.131 1.00 0.58 C ATOM 1033 O GLU A 152 66.784 1.280 4.081 1.00 0.58 O ATOM 1034 CB GLU A 152 68.805 3.430 2.779 1.00 0.59 C ATOM 1035 CG GLU A 152 70.199 4.061 2.770 1.00 0.76 C ATOM 1036 CD GLU A 152 70.070 5.586 2.731 1.00 0.75 C ATOM 1037 OE1 GLU A 152 69.653 6.151 3.729 1.00 1.20 O ATOM 1038 OE2 GLU A 152 70.393 6.162 1.706 1.00 1.39 O ATOM 0 H GLU A 152 70.351 2.006 1.634 1.00 0.67 H new ATOM 0 HA GLU A 152 69.252 1.865 4.240 1.00 0.61 H new ATOM 0 HB2 GLU A 152 68.357 3.497 1.787 1.00 0.59 H new ATOM 0 HB3 GLU A 152 68.152 3.975 3.461 1.00 0.59 H new ATOM 0 HG2 GLU A 152 70.754 3.755 3.657 1.00 0.76 H new ATOM 0 HG3 GLU A 152 70.762 3.711 1.905 1.00 0.76 H new ATOM 1045 N PHE A 153 67.218 0.703 2.007 1.00 0.60 N ATOM 1046 CA PHE A 153 65.896 0.023 1.873 1.00 0.61 C ATOM 1047 C PHE A 153 65.910 -1.319 2.612 1.00 0.66 C ATOM 1048 O PHE A 153 64.971 -1.670 3.299 1.00 0.71 O ATOM 1049 CB PHE A 153 65.716 -0.196 0.371 1.00 0.64 C ATOM 1050 CG PHE A 153 64.409 -0.911 0.117 1.00 0.68 C ATOM 1051 CD1 PHE A 153 64.333 -2.302 0.261 1.00 1.18 C ATOM 1052 CD2 PHE A 153 63.275 -0.184 -0.262 1.00 1.47 C ATOM 1053 CE1 PHE A 153 63.122 -2.965 0.027 1.00 1.24 C ATOM 1054 CE2 PHE A 153 62.064 -0.847 -0.496 1.00 1.55 C ATOM 1055 CZ PHE A 153 61.987 -2.238 -0.352 1.00 0.93 C ATOM 0 H PHE A 153 67.809 0.671 1.177 1.00 0.60 H new ATOM 0 HA PHE A 153 65.085 0.611 2.302 1.00 0.61 H new ATOM 0 HB2 PHE A 153 65.726 0.761 -0.150 1.00 0.64 H new ATOM 0 HB3 PHE A 153 66.546 -0.782 -0.023 1.00 0.64 H new ATOM 0 HD1 PHE A 153 65.208 -2.863 0.553 1.00 1.18 H new ATOM 0 HD2 PHE A 153 63.334 0.889 -0.374 1.00 1.47 H new ATOM 0 HE1 PHE A 153 63.063 -4.038 0.139 1.00 1.24 H new ATOM 0 HE2 PHE A 153 61.189 -0.285 -0.788 1.00 1.55 H new ATOM 0 HZ PHE A 153 61.053 -2.749 -0.533 1.00 0.93 H new ATOM 1065 N LEU A 154 66.966 -2.073 2.473 1.00 0.72 N ATOM 1066 CA LEU A 154 67.039 -3.393 3.163 1.00 0.80 C ATOM 1067 C LEU A 154 66.536 -3.275 4.603 1.00 0.79 C ATOM 1068 O LEU A 154 65.567 -3.901 4.987 1.00 0.82 O ATOM 1069 CB LEU A 154 68.522 -3.766 3.147 1.00 0.92 C ATOM 1070 CG LEU A 154 68.758 -4.881 2.126 1.00 0.85 C ATOM 1071 CD1 LEU A 154 67.869 -6.079 2.463 1.00 1.74 C ATOM 1072 CD2 LEU A 154 68.412 -4.368 0.726 1.00 1.54 C ATOM 0 H LEU A 154 67.782 -1.832 1.911 1.00 0.72 H new ATOM 0 HA LEU A 154 66.420 -4.145 2.673 1.00 0.80 H new ATOM 0 HB2 LEU A 154 69.124 -2.894 2.894 1.00 0.92 H new ATOM 0 HB3 LEU A 154 68.836 -4.094 4.138 1.00 0.92 H new ATOM 0 HG LEU A 154 69.804 -5.186 2.155 1.00 0.85 H new ATOM 0 HD11 LEU A 154 68.037 -6.873 1.736 1.00 1.74 H new ATOM 0 HD12 LEU A 154 68.113 -6.444 3.461 1.00 1.74 H new ATOM 0 HD13 LEU A 154 66.823 -5.775 2.433 1.00 1.74 H new ATOM 0 HD21 LEU A 154 68.579 -5.160 -0.004 1.00 1.54 H new ATOM 0 HD22 LEU A 154 67.366 -4.064 0.698 1.00 1.54 H new ATOM 0 HD23 LEU A 154 69.044 -3.514 0.485 1.00 1.54 H new ATOM 1084 N GLU A 155 67.189 -2.481 5.406 1.00 0.79 N ATOM 1085 CA GLU A 155 66.753 -2.327 6.825 1.00 0.82 C ATOM 1086 C GLU A 155 65.275 -1.929 6.894 1.00 0.81 C ATOM 1087 O GLU A 155 64.548 -2.365 7.763 1.00 0.90 O ATOM 1088 CB GLU A 155 67.635 -1.215 7.391 1.00 0.85 C ATOM 1089 CG GLU A 155 67.607 -1.272 8.920 1.00 0.95 C ATOM 1090 CD GLU A 155 67.924 0.113 9.487 1.00 1.67 C ATOM 1091 OE1 GLU A 155 68.676 0.834 8.852 1.00 2.47 O ATOM 1092 OE2 GLU A 155 67.410 0.429 10.548 1.00 2.27 O ATOM 0 H GLU A 155 68.007 -1.931 5.142 1.00 0.79 H new ATOM 0 HA GLU A 155 66.853 -3.256 7.387 1.00 0.82 H new ATOM 0 HB2 GLU A 155 68.657 -1.328 7.031 1.00 0.85 H new ATOM 0 HB3 GLU A 155 67.281 -0.244 7.046 1.00 0.85 H new ATOM 0 HG2 GLU A 155 66.627 -1.602 9.265 1.00 0.95 H new ATOM 0 HG3 GLU A 155 68.334 -2.000 9.281 1.00 0.95 H new ATOM 1099 N PHE A 156 64.828 -1.101 5.990 1.00 0.75 N ATOM 1100 CA PHE A 156 63.398 -0.673 6.013 1.00 0.78 C ATOM 1101 C PHE A 156 62.472 -1.881 5.854 1.00 0.84 C ATOM 1102 O PHE A 156 61.788 -2.277 6.777 1.00 0.90 O ATOM 1103 CB PHE A 156 63.248 0.275 4.823 1.00 0.78 C ATOM 1104 CG PHE A 156 61.795 0.654 4.667 1.00 0.85 C ATOM 1105 CD1 PHE A 156 61.041 1.005 5.791 1.00 1.66 C ATOM 1106 CD2 PHE A 156 61.201 0.654 3.398 1.00 1.27 C ATOM 1107 CE1 PHE A 156 59.694 1.356 5.651 1.00 1.77 C ATOM 1108 CE2 PHE A 156 59.853 1.005 3.257 1.00 1.31 C ATOM 1109 CZ PHE A 156 59.099 1.357 4.383 1.00 1.10 C ATOM 0 H PHE A 156 65.389 -0.702 5.237 1.00 0.75 H new ATOM 0 HA PHE A 156 63.131 -0.194 6.955 1.00 0.78 H new ATOM 0 HB2 PHE A 156 63.854 1.168 4.976 1.00 0.78 H new ATOM 0 HB3 PHE A 156 63.610 -0.204 3.914 1.00 0.78 H new ATOM 0 HD1 PHE A 156 61.499 1.005 6.769 1.00 1.66 H new ATOM 0 HD2 PHE A 156 61.783 0.383 2.529 1.00 1.27 H new ATOM 0 HE1 PHE A 156 59.113 1.626 6.520 1.00 1.77 H new ATOM 0 HE2 PHE A 156 59.395 1.004 2.279 1.00 1.31 H new ATOM 0 HZ PHE A 156 58.060 1.629 4.274 1.00 1.10 H new ATOM 1119 N MET A 157 62.438 -2.468 4.688 1.00 0.86 N ATOM 1120 CA MET A 157 61.549 -3.646 4.470 1.00 0.95 C ATOM 1121 C MET A 157 61.780 -4.696 5.558 1.00 0.99 C ATOM 1122 O MET A 157 60.904 -5.477 5.873 1.00 1.12 O ATOM 1123 CB MET A 157 61.949 -4.197 3.101 1.00 0.99 C ATOM 1124 CG MET A 157 61.034 -5.367 2.735 1.00 1.28 C ATOM 1125 SD MET A 157 59.308 -4.824 2.781 1.00 1.48 S ATOM 1126 CE MET A 157 59.502 -3.363 1.731 1.00 1.12 C ATOM 0 H MET A 157 62.987 -2.183 3.877 1.00 0.86 H new ATOM 0 HA MET A 157 60.494 -3.377 4.510 1.00 0.95 H new ATOM 0 HB2 MET A 157 61.875 -3.414 2.346 1.00 0.99 H new ATOM 0 HB3 MET A 157 62.988 -4.526 3.119 1.00 0.99 H new ATOM 0 HG2 MET A 157 61.282 -5.739 1.741 1.00 1.28 H new ATOM 0 HG3 MET A 157 61.185 -6.192 3.431 1.00 1.28 H new ATOM 0 HE1 MET A 157 58.520 -2.997 1.432 1.00 1.12 H new ATOM 0 HE2 MET A 157 60.027 -2.584 2.285 1.00 1.12 H new ATOM 0 HE3 MET A 157 60.077 -3.627 0.843 1.00 1.12 H new ATOM 1136 N LYS A 158 62.948 -4.721 6.139 1.00 0.94 N ATOM 1137 CA LYS A 158 63.221 -5.724 7.209 1.00 1.02 C ATOM 1138 C LYS A 158 62.213 -5.558 8.348 1.00 1.05 C ATOM 1139 O LYS A 158 61.405 -6.427 8.606 1.00 1.20 O ATOM 1140 CB LYS A 158 64.637 -5.411 7.695 1.00 1.07 C ATOM 1141 CG LYS A 158 65.292 -6.691 8.216 1.00 1.26 C ATOM 1142 CD LYS A 158 65.510 -7.663 7.056 1.00 1.53 C ATOM 1143 CE LYS A 158 66.838 -8.399 7.251 1.00 1.45 C ATOM 1144 NZ LYS A 158 66.497 -9.591 8.074 1.00 2.07 N ATOM 0 H LYS A 158 63.722 -4.094 5.921 1.00 0.94 H new ATOM 0 HA LYS A 158 63.134 -6.749 6.850 1.00 1.02 H new ATOM 0 HB2 LYS A 158 65.228 -4.993 6.880 1.00 1.07 H new ATOM 0 HB3 LYS A 158 64.604 -4.659 8.484 1.00 1.07 H new ATOM 0 HG2 LYS A 158 66.244 -6.457 8.692 1.00 1.26 H new ATOM 0 HG3 LYS A 158 64.661 -7.151 8.976 1.00 1.26 H new ATOM 0 HD2 LYS A 158 64.689 -8.378 7.008 1.00 1.53 H new ATOM 0 HD3 LYS A 158 65.517 -7.122 6.110 1.00 1.53 H new ATOM 0 HE2 LYS A 158 67.273 -8.690 6.295 1.00 1.45 H new ATOM 0 HE3 LYS A 158 67.570 -7.767 7.755 1.00 1.45 H new ATOM 0 HZ1 LYS A 158 67.357 -10.148 8.251 1.00 2.07 H new ATOM 0 HZ2 LYS A 158 66.092 -9.282 8.981 1.00 2.07 H new ATOM 0 HZ3 LYS A 158 65.804 -10.177 7.566 1.00 2.07 H new