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= -0.0369 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -4.4! C(o=-4.4!,f=-4.6!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 172:sc= -1.06 (180deg=-1.12) USER MOD Single : A 120 MET CE :methyl -159:sc= -0.771 (180deg=-2.78!) USER MOD Single : A 122 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.22) USER MOD Single : A 129 THR OG1 : rot -33:sc= 0.79 USER MOD Single : A 137 MET CE :methyl -129:sc= -3.55! (180deg=-6.34!) USER MOD Single : A 138 LYS NZ :NH3+ 155:sc= -0.152 (180deg=-1.47!) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= -7.1! C(o=-7.1!,f=-16!) USER MOD Single : A 144 ASN : amide:sc= -0.254 X(o=-0.25,f=-0.23) USER MOD Single : A 150 TYR OH : rot 116:sc= 0.261 USER MOD Single : A 157 MET CE :methyl 168:sc= -3.15 (180deg=-3.62!) USER MOD Single : A 158 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.398) USER MOD ----------------------------------------------------------------- ATOM 155 N GLU A 96 63.803 -11.368 -2.991 1.00 1.38 N ATOM 156 CA GLU A 96 62.585 -10.684 -3.512 1.00 1.34 C ATOM 157 C GLU A 96 62.640 -9.188 -3.189 1.00 1.16 C ATOM 158 O GLU A 96 62.243 -8.357 -3.981 1.00 1.07 O ATOM 159 CB GLU A 96 61.416 -11.347 -2.785 1.00 1.51 C ATOM 160 CG GLU A 96 60.770 -12.389 -3.699 1.00 2.07 C ATOM 161 CD GLU A 96 60.372 -11.732 -5.022 1.00 2.19 C ATOM 162 OE1 GLU A 96 59.273 -11.208 -5.093 1.00 2.60 O ATOM 163 OE2 GLU A 96 61.173 -11.765 -5.941 1.00 2.61 O ATOM 0 HA GLU A 96 62.493 -10.772 -4.595 1.00 1.34 H new ATOM 0 HB2 GLU A 96 61.766 -11.820 -1.867 1.00 1.51 H new ATOM 0 HB3 GLU A 96 60.681 -10.596 -2.496 1.00 1.51 H new ATOM 0 HG2 GLU A 96 61.465 -13.208 -3.882 1.00 2.07 H new ATOM 0 HG3 GLU A 96 59.892 -12.818 -3.215 1.00 2.07 H new ATOM 170 N LEU A 97 63.129 -8.841 -2.030 1.00 1.14 N ATOM 171 CA LEU A 97 63.208 -7.400 -1.656 1.00 0.99 C ATOM 172 C LEU A 97 64.008 -6.626 -2.708 1.00 0.82 C ATOM 173 O LEU A 97 63.608 -5.567 -3.149 1.00 0.70 O ATOM 174 CB LEU A 97 63.932 -7.379 -0.310 1.00 1.03 C ATOM 175 CG LEU A 97 62.909 -7.218 0.817 1.00 1.31 C ATOM 176 CD1 LEU A 97 62.725 -8.556 1.535 1.00 1.57 C ATOM 177 CD2 LEU A 97 63.412 -6.171 1.814 1.00 1.71 C ATOM 0 H LEU A 97 63.477 -9.492 -1.326 1.00 1.14 H new ATOM 0 HA LEU A 97 62.225 -6.933 -1.596 1.00 0.99 H new ATOM 0 HB2 LEU A 97 64.496 -8.302 -0.174 1.00 1.03 H new ATOM 0 HB3 LEU A 97 64.650 -6.559 -0.284 1.00 1.03 H new ATOM 0 HG LEU A 97 61.955 -6.896 0.399 1.00 1.31 H new ATOM 0 HD11 LEU A 97 61.996 -8.441 2.338 1.00 1.57 H new ATOM 0 HD12 LEU A 97 62.369 -9.303 0.826 1.00 1.57 H new ATOM 0 HD13 LEU A 97 63.678 -8.878 1.954 1.00 1.57 H new ATOM 0 HD21 LEU A 97 62.685 -6.055 2.618 1.00 1.71 H new ATOM 0 HD22 LEU A 97 64.365 -6.495 2.231 1.00 1.71 H new ATOM 0 HD23 LEU A 97 63.545 -5.217 1.304 1.00 1.71 H new ATOM 189 N SER A 98 65.132 -7.147 -3.118 1.00 0.87 N ATOM 190 CA SER A 98 65.950 -6.437 -4.143 1.00 0.78 C ATOM 191 C SER A 98 65.054 -5.958 -5.286 1.00 0.75 C ATOM 192 O SER A 98 64.987 -4.783 -5.585 1.00 0.74 O ATOM 193 CB SER A 98 66.949 -7.478 -4.646 1.00 0.93 C ATOM 194 OG SER A 98 66.262 -8.690 -4.929 1.00 1.41 O ATOM 0 H SER A 98 65.519 -8.031 -2.789 1.00 0.87 H new ATOM 0 HA SER A 98 66.451 -5.558 -3.738 1.00 0.78 H new ATOM 0 HB2 SER A 98 67.451 -7.114 -5.542 1.00 0.93 H new ATOM 0 HB3 SER A 98 67.721 -7.651 -3.896 1.00 0.93 H new ATOM 0 HG SER A 98 66.900 -9.359 -5.254 1.00 1.41 H new ATOM 200 N ASP A 99 64.361 -6.860 -5.925 1.00 0.80 N ATOM 201 CA ASP A 99 63.466 -6.456 -7.048 1.00 0.82 C ATOM 202 C ASP A 99 62.415 -5.464 -6.548 1.00 0.77 C ATOM 203 O ASP A 99 61.974 -4.596 -7.273 1.00 0.77 O ATOM 204 CB ASP A 99 62.805 -7.753 -7.516 1.00 0.93 C ATOM 205 CG ASP A 99 63.688 -8.423 -8.569 1.00 1.45 C ATOM 206 OD1 ASP A 99 63.898 -7.821 -9.609 1.00 2.18 O ATOM 207 OD2 ASP A 99 64.141 -9.528 -8.318 1.00 1.92 O ATOM 0 H ASP A 99 64.375 -7.859 -5.719 1.00 0.80 H new ATOM 0 HA ASP A 99 64.009 -5.965 -7.856 1.00 0.82 H new ATOM 0 HB2 ASP A 99 62.656 -8.424 -6.670 1.00 0.93 H new ATOM 0 HB3 ASP A 99 61.820 -7.542 -7.932 1.00 0.93 H new ATOM 212 N LEU A 100 62.015 -5.582 -5.312 1.00 0.77 N ATOM 213 CA LEU A 100 60.997 -4.640 -4.766 1.00 0.77 C ATOM 214 C LEU A 100 61.455 -3.196 -4.986 1.00 0.64 C ATOM 215 O LEU A 100 60.714 -2.365 -5.470 1.00 0.64 O ATOM 216 CB LEU A 100 60.922 -4.959 -3.273 1.00 0.85 C ATOM 217 CG LEU A 100 59.510 -4.677 -2.760 1.00 1.16 C ATOM 218 CD1 LEU A 100 58.965 -5.920 -2.053 1.00 1.54 C ATOM 219 CD2 LEU A 100 59.550 -3.509 -1.772 1.00 1.57 C ATOM 0 H LEU A 100 62.348 -6.289 -4.657 1.00 0.77 H new ATOM 0 HA LEU A 100 60.027 -4.747 -5.251 1.00 0.77 H new ATOM 0 HB2 LEU A 100 61.181 -6.004 -3.100 1.00 0.85 H new ATOM 0 HB3 LEU A 100 61.646 -4.356 -2.725 1.00 0.85 H new ATOM 0 HG LEU A 100 58.864 -4.423 -3.600 1.00 1.16 H new ATOM 0 HD11 LEU A 100 57.958 -5.718 -1.687 1.00 1.54 H new ATOM 0 HD12 LEU A 100 58.936 -6.754 -2.754 1.00 1.54 H new ATOM 0 HD13 LEU A 100 59.612 -6.174 -1.213 1.00 1.54 H new ATOM 0 HD21 LEU A 100 58.543 -3.307 -1.406 1.00 1.57 H new ATOM 0 HD22 LEU A 100 60.197 -3.764 -0.933 1.00 1.57 H new ATOM 0 HD23 LEU A 100 59.938 -2.622 -2.273 1.00 1.57 H new ATOM 231 N PHE A 101 62.675 -2.895 -4.635 1.00 0.60 N ATOM 232 CA PHE A 101 63.188 -1.508 -4.821 1.00 0.53 C ATOM 233 C PHE A 101 63.133 -1.113 -6.299 1.00 0.49 C ATOM 234 O PHE A 101 62.549 -0.111 -6.662 1.00 0.61 O ATOM 235 CB PHE A 101 64.637 -1.557 -4.334 1.00 0.57 C ATOM 236 CG PHE A 101 65.252 -0.182 -4.439 1.00 0.46 C ATOM 237 CD1 PHE A 101 65.537 0.363 -5.696 1.00 1.23 C ATOM 238 CD2 PHE A 101 65.538 0.546 -3.278 1.00 1.31 C ATOM 239 CE1 PHE A 101 66.109 1.637 -5.793 1.00 1.23 C ATOM 240 CE2 PHE A 101 66.110 1.819 -3.374 1.00 1.30 C ATOM 241 CZ PHE A 101 66.395 2.365 -4.631 1.00 0.40 C ATOM 0 H PHE A 101 63.340 -3.551 -4.226 1.00 0.60 H new ATOM 0 HA PHE A 101 62.596 -0.773 -4.276 1.00 0.53 H new ATOM 0 HB2 PHE A 101 64.673 -1.905 -3.302 1.00 0.57 H new ATOM 0 HB3 PHE A 101 65.208 -2.269 -4.930 1.00 0.57 H new ATOM 0 HD1 PHE A 101 65.316 -0.199 -6.591 1.00 1.23 H new ATOM 0 HD2 PHE A 101 65.317 0.125 -2.308 1.00 1.31 H new ATOM 0 HE1 PHE A 101 66.330 2.058 -6.763 1.00 1.23 H new ATOM 0 HE2 PHE A 101 66.332 2.380 -2.478 1.00 1.30 H new ATOM 0 HZ PHE A 101 66.836 3.348 -4.705 1.00 0.40 H new ATOM 251 N ARG A 102 63.738 -1.890 -7.155 1.00 0.53 N ATOM 252 CA ARG A 102 63.721 -1.554 -8.608 1.00 0.70 C ATOM 253 C ARG A 102 62.323 -1.788 -9.189 1.00 0.80 C ATOM 254 O ARG A 102 62.063 -1.500 -10.341 1.00 1.09 O ATOM 255 CB ARG A 102 64.734 -2.506 -9.246 1.00 0.87 C ATOM 256 CG ARG A 102 64.662 -2.388 -10.770 1.00 1.28 C ATOM 257 CD ARG A 102 65.650 -3.366 -11.406 1.00 1.83 C ATOM 258 NE ARG A 102 66.995 -2.864 -11.014 1.00 2.26 N ATOM 259 CZ ARG A 102 68.068 -3.413 -11.513 1.00 2.89 C ATOM 260 NH1 ARG A 102 67.991 -4.115 -12.612 1.00 3.22 N ATOM 261 NH2 ARG A 102 69.217 -3.263 -10.914 1.00 3.68 N ATOM 0 H ARG A 102 64.243 -2.742 -6.912 1.00 0.53 H new ATOM 0 HA ARG A 102 63.970 -0.509 -8.794 1.00 0.70 H new ATOM 0 HB2 ARG A 102 65.740 -2.268 -8.900 1.00 0.87 H new ATOM 0 HB3 ARG A 102 64.527 -3.532 -8.941 1.00 0.87 H new ATOM 0 HG2 ARG A 102 63.650 -2.602 -11.114 1.00 1.28 H new ATOM 0 HG3 ARG A 102 64.895 -1.368 -11.078 1.00 1.28 H new ATOM 0 HD2 ARG A 102 65.487 -4.382 -11.046 1.00 1.83 H new ATOM 0 HD3 ARG A 102 65.538 -3.391 -12.490 1.00 1.83 H new ATOM 0 HE ARG A 102 67.078 -2.090 -10.355 1.00 2.26 H new ATOM 0 HH11 ARG A 102 67.092 -4.234 -13.079 1.00 3.22 H new ATOM 0 HH12 ARG A 102 68.830 -4.544 -13.003 1.00 3.22 H new ATOM 0 HH21 ARG A 102 69.277 -2.716 -10.055 1.00 3.68 H new ATOM 0 HH22 ARG A 102 70.056 -3.693 -11.305 1.00 3.68 H new ATOM 275 N MET A 103 61.421 -2.307 -8.402 1.00 0.68 N ATOM 276 CA MET A 103 60.044 -2.559 -8.914 1.00 0.81 C ATOM 277 C MET A 103 59.044 -1.602 -8.258 1.00 0.79 C ATOM 278 O MET A 103 57.894 -1.532 -8.644 1.00 0.90 O ATOM 279 CB MET A 103 59.737 -4.005 -8.526 1.00 0.91 C ATOM 280 CG MET A 103 58.268 -4.313 -8.821 1.00 1.35 C ATOM 281 SD MET A 103 58.085 -6.074 -9.199 1.00 1.92 S ATOM 282 CE MET A 103 57.813 -6.641 -7.502 1.00 1.63 C ATOM 0 H MET A 103 61.577 -2.567 -7.428 1.00 0.68 H new ATOM 0 HA MET A 103 59.971 -2.399 -9.990 1.00 0.81 H new ATOM 0 HB2 MET A 103 60.381 -4.686 -9.082 1.00 0.91 H new ATOM 0 HB3 MET A 103 59.947 -4.161 -7.468 1.00 0.91 H new ATOM 0 HG2 MET A 103 57.650 -4.048 -7.963 1.00 1.35 H new ATOM 0 HG3 MET A 103 57.921 -3.712 -9.661 1.00 1.35 H new ATOM 0 HE1 MET A 103 57.673 -7.722 -7.498 1.00 1.63 H new ATOM 0 HE2 MET A 103 58.678 -6.385 -6.890 1.00 1.63 H new ATOM 0 HE3 MET A 103 56.924 -6.158 -7.095 1.00 1.63 H new ATOM 292 N PHE A 104 59.471 -0.862 -7.271 1.00 0.71 N ATOM 293 CA PHE A 104 58.538 0.087 -6.597 1.00 0.75 C ATOM 294 C PHE A 104 58.979 1.532 -6.844 1.00 0.68 C ATOM 295 O PHE A 104 58.205 2.456 -6.699 1.00 0.80 O ATOM 296 CB PHE A 104 58.628 -0.250 -5.108 1.00 0.76 C ATOM 297 CG PHE A 104 57.527 -1.218 -4.744 1.00 1.03 C ATOM 298 CD1 PHE A 104 56.222 -0.751 -4.539 1.00 1.71 C ATOM 299 CD2 PHE A 104 57.811 -2.582 -4.610 1.00 1.67 C ATOM 300 CE1 PHE A 104 55.203 -1.650 -4.202 1.00 2.03 C ATOM 301 CE2 PHE A 104 56.791 -3.480 -4.273 1.00 1.90 C ATOM 302 CZ PHE A 104 55.487 -3.014 -4.069 1.00 1.76 C ATOM 0 H PHE A 104 60.422 -0.873 -6.903 1.00 0.71 H new ATOM 0 HA PHE A 104 57.520 -0.005 -6.975 1.00 0.75 H new ATOM 0 HB2 PHE A 104 59.601 -0.687 -4.881 1.00 0.76 H new ATOM 0 HB3 PHE A 104 58.540 0.659 -4.512 1.00 0.76 H new ATOM 0 HD1 PHE A 104 56.002 0.302 -4.641 1.00 1.71 H new ATOM 0 HD2 PHE A 104 58.817 -2.942 -4.767 1.00 1.67 H new ATOM 0 HE1 PHE A 104 54.197 -1.291 -4.045 1.00 2.03 H new ATOM 0 HE2 PHE A 104 57.010 -4.532 -4.170 1.00 1.90 H new ATOM 0 HZ PHE A 104 54.700 -3.707 -3.809 1.00 1.76 H new ATOM 312 N ASP A 105 60.215 1.735 -7.212 1.00 0.58 N ATOM 313 CA ASP A 105 60.699 3.124 -7.464 1.00 0.52 C ATOM 314 C ASP A 105 59.764 3.843 -8.436 1.00 0.52 C ATOM 315 O ASP A 105 59.965 3.826 -9.634 1.00 0.60 O ATOM 316 CB ASP A 105 62.089 2.958 -8.080 1.00 0.60 C ATOM 317 CG ASP A 105 62.849 4.284 -7.990 1.00 0.51 C ATOM 318 OD1 ASP A 105 62.321 5.210 -7.394 1.00 0.48 O ATOM 319 OD2 ASP A 105 63.947 4.351 -8.518 1.00 0.54 O ATOM 0 H ASP A 105 60.910 1.001 -7.349 1.00 0.58 H new ATOM 0 HA ASP A 105 60.728 3.720 -6.552 1.00 0.52 H new ATOM 0 HB2 ASP A 105 62.639 2.175 -7.557 1.00 0.60 H new ATOM 0 HB3 ASP A 105 62.002 2.646 -9.121 1.00 0.60 H new ATOM 324 N LYS A 106 58.745 4.482 -7.929 1.00 0.51 N ATOM 325 CA LYS A 106 57.802 5.206 -8.827 1.00 0.60 C ATOM 326 C LYS A 106 58.545 6.310 -9.578 1.00 0.59 C ATOM 327 O LYS A 106 58.266 6.589 -10.728 1.00 0.70 O ATOM 328 CB LYS A 106 56.748 5.804 -7.895 1.00 0.63 C ATOM 329 CG LYS A 106 55.871 6.784 -8.678 1.00 1.39 C ATOM 330 CD LYS A 106 55.402 6.126 -9.978 1.00 1.58 C ATOM 331 CE LYS A 106 54.420 4.997 -9.655 1.00 2.00 C ATOM 332 NZ LYS A 106 53.420 5.028 -10.757 1.00 2.79 N ATOM 0 H LYS A 106 58.525 4.534 -6.934 1.00 0.51 H new ATOM 0 HA LYS A 106 57.355 4.553 -9.577 1.00 0.60 H new ATOM 0 HB2 LYS A 106 56.134 5.012 -7.467 1.00 0.63 H new ATOM 0 HB3 LYS A 106 57.231 6.317 -7.063 1.00 0.63 H new ATOM 0 HG2 LYS A 106 55.011 7.079 -8.077 1.00 1.39 H new ATOM 0 HG3 LYS A 106 56.431 7.692 -8.900 1.00 1.39 H new ATOM 0 HD2 LYS A 106 54.924 6.866 -10.620 1.00 1.58 H new ATOM 0 HD3 LYS A 106 56.257 5.732 -10.528 1.00 1.58 H new ATOM 0 HE2 LYS A 106 54.928 4.033 -9.610 1.00 2.00 H new ATOM 0 HE3 LYS A 106 53.945 5.153 -8.686 1.00 2.00 H new ATOM 0 HZ1 LYS A 106 52.712 4.281 -10.605 1.00 2.79 H new ATOM 0 HZ2 LYS A 106 52.948 5.954 -10.771 1.00 2.79 H new ATOM 0 HZ3 LYS A 106 53.900 4.870 -11.666 1.00 2.79 H new ATOM 346 N ASN A 107 59.497 6.938 -8.941 1.00 0.53 N ATOM 347 CA ASN A 107 60.261 8.019 -9.626 1.00 0.59 C ATOM 348 C ASN A 107 61.258 7.406 -10.612 1.00 0.60 C ATOM 349 O ASN A 107 61.654 8.026 -11.580 1.00 0.71 O ATOM 350 CB ASN A 107 60.992 8.755 -8.505 1.00 0.62 C ATOM 351 CG ASN A 107 61.951 9.784 -9.104 1.00 1.10 C ATOM 352 OD1 ASN A 107 63.115 9.819 -8.758 1.00 1.50 O ATOM 353 ND2 ASN A 107 61.510 10.630 -9.996 1.00 1.67 N ATOM 0 H ASN A 107 59.778 6.749 -7.979 1.00 0.53 H new ATOM 0 HA ASN A 107 59.619 8.689 -10.197 1.00 0.59 H new ATOM 0 HB2 ASN A 107 60.273 9.250 -7.853 1.00 0.62 H new ATOM 0 HB3 ASN A 107 61.544 8.044 -7.890 1.00 0.62 H new ATOM 0 HD21 ASN A 107 62.143 11.319 -10.402 1.00 1.67 H new ATOM 0 HD22 ASN A 107 60.533 10.601 -10.287 1.00 1.67 H new ATOM 360 N ALA A 108 61.660 6.187 -10.376 1.00 0.56 N ATOM 361 CA ALA A 108 62.624 5.519 -11.297 1.00 0.62 C ATOM 362 C ALA A 108 63.871 6.385 -11.498 1.00 0.64 C ATOM 363 O ALA A 108 64.151 6.842 -12.589 1.00 0.78 O ATOM 364 CB ALA A 108 61.864 5.361 -12.615 1.00 0.72 C ATOM 0 H ALA A 108 61.361 5.622 -9.581 1.00 0.56 H new ATOM 0 HA ALA A 108 62.970 4.563 -10.903 1.00 0.62 H new ATOM 0 HB1 ALA A 108 62.506 4.875 -13.350 1.00 0.72 H new ATOM 0 HB2 ALA A 108 60.975 4.752 -12.452 1.00 0.72 H new ATOM 0 HB3 ALA A 108 61.568 6.343 -12.984 1.00 0.72 H new ATOM 370 N ASP A 109 64.627 6.609 -10.458 1.00 0.57 N ATOM 371 CA ASP A 109 65.858 7.439 -10.597 1.00 0.63 C ATOM 372 C ASP A 109 67.029 6.782 -9.858 1.00 0.63 C ATOM 373 O ASP A 109 68.121 7.314 -9.803 1.00 0.76 O ATOM 374 CB ASP A 109 65.501 8.792 -9.969 1.00 0.62 C ATOM 375 CG ASP A 109 65.620 8.709 -8.445 1.00 0.70 C ATOM 376 OD1 ASP A 109 64.644 8.337 -7.814 1.00 0.75 O ATOM 377 OD2 ASP A 109 66.684 9.017 -7.935 1.00 1.20 O ATOM 0 H ASP A 109 64.446 6.254 -9.519 1.00 0.57 H new ATOM 0 HA ASP A 109 66.168 7.548 -11.636 1.00 0.63 H new ATOM 0 HB2 ASP A 109 66.165 9.567 -10.352 1.00 0.62 H new ATOM 0 HB3 ASP A 109 64.486 9.075 -10.248 1.00 0.62 H new ATOM 382 N GLY A 110 66.810 5.628 -9.285 1.00 0.58 N ATOM 383 CA GLY A 110 67.908 4.940 -8.548 1.00 0.62 C ATOM 384 C GLY A 110 67.618 4.994 -7.047 1.00 0.54 C ATOM 385 O GLY A 110 68.029 4.134 -6.293 1.00 0.57 O ATOM 0 H GLY A 110 65.918 5.133 -9.296 1.00 0.58 H new ATOM 0 HA2 GLY A 110 67.990 3.904 -8.878 1.00 0.62 H new ATOM 0 HA3 GLY A 110 68.863 5.420 -8.763 1.00 0.62 H new ATOM 389 N TYR A 111 66.912 5.999 -6.609 1.00 0.50 N ATOM 390 CA TYR A 111 66.591 6.115 -5.158 1.00 0.48 C ATOM 391 C TYR A 111 65.092 6.356 -4.970 1.00 0.42 C ATOM 392 O TYR A 111 64.378 6.630 -5.912 1.00 0.52 O ATOM 393 CB TYR A 111 67.386 7.327 -4.670 1.00 0.52 C ATOM 394 CG TYR A 111 68.853 7.123 -4.963 1.00 0.60 C ATOM 395 CD1 TYR A 111 69.313 7.134 -6.285 1.00 1.36 C ATOM 396 CD2 TYR A 111 69.753 6.925 -3.910 1.00 1.38 C ATOM 397 CE1 TYR A 111 70.673 6.945 -6.555 1.00 1.40 C ATOM 398 CE2 TYR A 111 71.114 6.735 -4.180 1.00 1.46 C ATOM 399 CZ TYR A 111 71.573 6.745 -5.502 1.00 0.83 C ATOM 400 OH TYR A 111 72.915 6.557 -5.768 1.00 0.97 O ATOM 0 H TYR A 111 66.542 6.748 -7.195 1.00 0.50 H new ATOM 0 HA TYR A 111 66.845 5.210 -4.606 1.00 0.48 H new ATOM 0 HB2 TYR A 111 67.029 8.231 -5.163 1.00 0.52 H new ATOM 0 HB3 TYR A 111 67.235 7.467 -3.600 1.00 0.52 H new ATOM 0 HD1 TYR A 111 68.618 7.288 -7.097 1.00 1.36 H new ATOM 0 HD2 TYR A 111 69.398 6.919 -2.890 1.00 1.38 H new ATOM 0 HE1 TYR A 111 71.028 6.953 -7.575 1.00 1.40 H new ATOM 0 HE2 TYR A 111 71.809 6.581 -3.368 1.00 1.46 H new ATOM 0 HH TYR A 111 73.401 6.434 -4.926 1.00 0.97 H new ATOM 410 N ILE A 112 64.611 6.265 -3.761 1.00 0.36 N ATOM 411 CA ILE A 112 63.160 6.501 -3.520 1.00 0.32 C ATOM 412 C ILE A 112 62.970 7.510 -2.390 1.00 0.35 C ATOM 413 O ILE A 112 63.630 7.454 -1.372 1.00 0.43 O ATOM 414 CB ILE A 112 62.589 5.147 -3.137 1.00 0.32 C ATOM 415 CG1 ILE A 112 63.063 4.131 -4.183 1.00 0.40 C ATOM 416 CG2 ILE A 112 61.057 5.245 -3.122 1.00 0.35 C ATOM 417 CD1 ILE A 112 61.983 3.085 -4.457 1.00 0.46 C ATOM 0 H ILE A 112 65.159 6.038 -2.931 1.00 0.36 H new ATOM 0 HA ILE A 112 62.660 6.912 -4.397 1.00 0.32 H new ATOM 0 HB ILE A 112 62.924 4.834 -2.148 1.00 0.32 H new ATOM 0 HG12 ILE A 112 63.317 4.648 -5.108 1.00 0.40 H new ATOM 0 HG13 ILE A 112 63.971 3.639 -3.833 1.00 0.40 H new ATOM 0 HG21 ILE A 112 60.633 4.279 -2.848 1.00 0.35 H new ATOM 0 HG22 ILE A 112 60.748 5.996 -2.395 1.00 0.35 H new ATOM 0 HG23 ILE A 112 60.701 5.530 -4.112 1.00 0.35 H new ATOM 0 HD11 ILE A 112 62.344 2.376 -5.202 1.00 0.46 H new ATOM 0 HD12 ILE A 112 61.749 2.554 -3.535 1.00 0.46 H new ATOM 0 HD13 ILE A 112 61.085 3.578 -4.830 1.00 0.46 H new ATOM 429 N ASP A 113 62.075 8.434 -2.569 1.00 0.36 N ATOM 430 CA ASP A 113 61.838 9.460 -1.511 1.00 0.44 C ATOM 431 C ASP A 113 60.551 9.148 -0.742 1.00 0.44 C ATOM 432 O ASP A 113 60.070 8.033 -0.747 1.00 0.60 O ATOM 433 CB ASP A 113 61.706 10.784 -2.265 1.00 0.56 C ATOM 434 CG ASP A 113 60.506 10.714 -3.212 1.00 0.94 C ATOM 435 OD1 ASP A 113 59.399 10.575 -2.723 1.00 1.58 O ATOM 436 OD2 ASP A 113 60.717 10.803 -4.411 1.00 1.53 O ATOM 0 H ASP A 113 61.494 8.527 -3.402 1.00 0.36 H new ATOM 0 HA ASP A 113 62.644 9.487 -0.777 1.00 0.44 H new ATOM 0 HB2 ASP A 113 61.579 11.605 -1.560 1.00 0.56 H new ATOM 0 HB3 ASP A 113 62.617 10.986 -2.829 1.00 0.56 H new ATOM 441 N LEU A 114 59.993 10.124 -0.077 1.00 0.47 N ATOM 442 CA LEU A 114 58.739 9.886 0.696 1.00 0.47 C ATOM 443 C LEU A 114 57.560 9.633 -0.252 1.00 0.50 C ATOM 444 O LEU A 114 56.836 8.667 -0.117 1.00 0.52 O ATOM 445 CB LEU A 114 58.512 11.176 1.488 1.00 0.57 C ATOM 446 CG LEU A 114 59.286 11.116 2.807 1.00 0.68 C ATOM 447 CD1 LEU A 114 58.654 10.068 3.724 1.00 1.36 C ATOM 448 CD2 LEU A 114 60.742 10.740 2.526 1.00 1.57 C ATOM 0 H LEU A 114 60.352 11.078 -0.036 1.00 0.47 H new ATOM 0 HA LEU A 114 58.819 9.012 1.342 1.00 0.47 H new ATOM 0 HB2 LEU A 114 58.839 12.035 0.903 1.00 0.57 H new ATOM 0 HB3 LEU A 114 57.448 11.310 1.685 1.00 0.57 H new ATOM 0 HG LEU A 114 59.250 12.090 3.294 1.00 0.68 H new ATOM 0 HD11 LEU A 114 59.206 10.026 4.663 1.00 1.36 H new ATOM 0 HD12 LEU A 114 57.617 10.338 3.924 1.00 1.36 H new ATOM 0 HD13 LEU A 114 58.688 9.092 3.239 1.00 1.36 H new ATOM 0 HD21 LEU A 114 61.294 10.697 3.465 1.00 1.57 H new ATOM 0 HD22 LEU A 114 60.779 9.766 2.038 1.00 1.57 H new ATOM 0 HD23 LEU A 114 61.192 11.489 1.874 1.00 1.57 H new ATOM 460 N GLU A 115 57.359 10.505 -1.201 1.00 0.56 N ATOM 461 CA GLU A 115 56.222 10.336 -2.155 1.00 0.64 C ATOM 462 C GLU A 115 56.242 8.941 -2.793 1.00 0.56 C ATOM 463 O GLU A 115 55.213 8.391 -3.128 1.00 0.61 O ATOM 464 CB GLU A 115 56.438 11.412 -3.221 1.00 0.77 C ATOM 465 CG GLU A 115 55.084 11.966 -3.669 1.00 1.54 C ATOM 466 CD GLU A 115 55.303 13.179 -4.577 1.00 2.04 C ATOM 467 OE1 GLU A 115 56.032 13.044 -5.547 1.00 2.45 O ATOM 468 OE2 GLU A 115 54.737 14.220 -4.288 1.00 2.67 O ATOM 0 H GLU A 115 57.935 11.332 -1.359 1.00 0.56 H new ATOM 0 HA GLU A 115 55.258 10.434 -1.656 1.00 0.64 H new ATOM 0 HB2 GLU A 115 57.057 12.215 -2.822 1.00 0.77 H new ATOM 0 HB3 GLU A 115 56.971 10.992 -4.074 1.00 0.77 H new ATOM 0 HG2 GLU A 115 54.523 11.197 -4.200 1.00 1.54 H new ATOM 0 HG3 GLU A 115 54.490 12.251 -2.800 1.00 1.54 H new ATOM 475 N GLU A 116 57.402 8.371 -2.974 1.00 0.49 N ATOM 476 CA GLU A 116 57.472 7.018 -3.603 1.00 0.45 C ATOM 477 C GLU A 116 57.304 5.921 -2.547 1.00 0.43 C ATOM 478 O GLU A 116 56.673 4.910 -2.785 1.00 0.51 O ATOM 479 CB GLU A 116 58.865 6.947 -4.230 1.00 0.42 C ATOM 480 CG GLU A 116 59.028 8.075 -5.250 1.00 0.94 C ATOM 481 CD GLU A 116 60.434 8.017 -5.851 1.00 0.85 C ATOM 482 OE1 GLU A 116 60.858 6.932 -6.215 1.00 1.28 O ATOM 483 OE2 GLU A 116 61.064 9.059 -5.937 1.00 1.43 O ATOM 0 H GLU A 116 58.300 8.779 -2.716 1.00 0.49 H new ATOM 0 HA GLU A 116 56.681 6.868 -4.338 1.00 0.45 H new ATOM 0 HB2 GLU A 116 59.628 7.030 -3.456 1.00 0.42 H new ATOM 0 HB3 GLU A 116 59.007 5.981 -4.715 1.00 0.42 H new ATOM 0 HG2 GLU A 116 58.280 7.980 -6.037 1.00 0.94 H new ATOM 0 HG3 GLU A 116 58.865 9.040 -4.771 1.00 0.94 H new ATOM 490 N LEU A 117 57.864 6.110 -1.384 1.00 0.37 N ATOM 491 CA LEU A 117 57.738 5.077 -0.317 1.00 0.42 C ATOM 492 C LEU A 117 56.265 4.862 0.033 1.00 0.50 C ATOM 493 O LEU A 117 55.840 3.761 0.321 1.00 0.58 O ATOM 494 CB LEU A 117 58.497 5.653 0.879 1.00 0.43 C ATOM 495 CG LEU A 117 58.899 4.522 1.828 1.00 0.61 C ATOM 496 CD1 LEU A 117 57.687 3.631 2.112 1.00 0.90 C ATOM 497 CD2 LEU A 117 60.005 3.685 1.180 1.00 1.53 C ATOM 0 H LEU A 117 58.404 6.936 -1.126 1.00 0.37 H new ATOM 0 HA LEU A 117 58.136 4.110 -0.624 1.00 0.42 H new ATOM 0 HB2 LEU A 117 59.384 6.186 0.537 1.00 0.43 H new ATOM 0 HB3 LEU A 117 57.873 6.377 1.404 1.00 0.43 H new ATOM 0 HG LEU A 117 59.261 4.947 2.764 1.00 0.61 H new ATOM 0 HD11 LEU A 117 57.977 2.827 2.788 1.00 0.90 H new ATOM 0 HD12 LEU A 117 56.898 4.226 2.573 1.00 0.90 H new ATOM 0 HD13 LEU A 117 57.321 3.205 1.178 1.00 0.90 H new ATOM 0 HD21 LEU A 117 60.293 2.878 1.854 1.00 1.53 H new ATOM 0 HD22 LEU A 117 59.640 3.262 0.244 1.00 1.53 H new ATOM 0 HD23 LEU A 117 60.870 4.317 0.980 1.00 1.53 H new ATOM 509 N LYS A 118 55.484 5.905 0.013 1.00 0.52 N ATOM 510 CA LYS A 118 54.040 5.758 0.348 1.00 0.63 C ATOM 511 C LYS A 118 53.321 4.969 -0.748 1.00 0.71 C ATOM 512 O LYS A 118 52.272 4.398 -0.530 1.00 0.83 O ATOM 513 CB LYS A 118 53.502 7.188 0.419 1.00 0.68 C ATOM 514 CG LYS A 118 53.941 7.833 1.735 1.00 1.05 C ATOM 515 CD LYS A 118 54.185 9.328 1.515 1.00 1.33 C ATOM 516 CE LYS A 118 55.418 9.764 2.310 1.00 1.49 C ATOM 517 NZ LYS A 118 55.239 11.228 2.525 1.00 1.82 N ATOM 0 H LYS A 118 55.782 6.852 -0.220 1.00 0.52 H new ATOM 0 HA LYS A 118 53.886 5.217 1.282 1.00 0.63 H new ATOM 0 HB2 LYS A 118 53.873 7.770 -0.425 1.00 0.68 H new ATOM 0 HB3 LYS A 118 52.414 7.183 0.349 1.00 0.68 H new ATOM 0 HG2 LYS A 118 53.175 7.687 2.497 1.00 1.05 H new ATOM 0 HG3 LYS A 118 54.850 7.355 2.101 1.00 1.05 H new ATOM 0 HD2 LYS A 118 54.332 9.532 0.454 1.00 1.33 H new ATOM 0 HD3 LYS A 118 53.313 9.901 1.832 1.00 1.33 H new ATOM 0 HE2 LYS A 118 55.485 9.231 3.258 1.00 1.49 H new ATOM 0 HE3 LYS A 118 56.336 9.555 1.761 1.00 1.49 H new ATOM 0 HZ1 LYS A 118 55.972 11.575 3.176 1.00 1.82 H new ATOM 0 HZ2 LYS A 118 55.321 11.725 1.615 1.00 1.82 H new ATOM 0 HZ3 LYS A 118 54.300 11.407 2.934 1.00 1.82 H new ATOM 531 N ILE A 119 53.878 4.935 -1.928 1.00 0.72 N ATOM 532 CA ILE A 119 53.226 4.185 -3.039 1.00 0.84 C ATOM 533 C ILE A 119 53.534 2.688 -2.924 1.00 0.86 C ATOM 534 O ILE A 119 52.822 1.857 -3.451 1.00 0.96 O ATOM 535 CB ILE A 119 53.837 4.767 -4.313 1.00 0.93 C ATOM 536 CG1 ILE A 119 53.171 6.110 -4.624 1.00 1.00 C ATOM 537 CG2 ILE A 119 53.609 3.805 -5.481 1.00 1.06 C ATOM 538 CD1 ILE A 119 53.815 6.722 -5.867 1.00 1.08 C ATOM 0 H ILE A 119 54.756 5.394 -2.171 1.00 0.72 H new ATOM 0 HA ILE A 119 52.140 4.282 -3.025 1.00 0.84 H new ATOM 0 HB ILE A 119 54.908 4.911 -4.169 1.00 0.93 H new ATOM 0 HG12 ILE A 119 52.102 5.969 -4.787 1.00 1.00 H new ATOM 0 HG13 ILE A 119 53.278 6.786 -3.776 1.00 1.00 H new ATOM 0 HG21 ILE A 119 54.046 4.223 -6.388 1.00 1.06 H new ATOM 0 HG22 ILE A 119 54.079 2.847 -5.260 1.00 1.06 H new ATOM 0 HG23 ILE A 119 52.539 3.659 -5.628 1.00 1.06 H new ATOM 0 HD11 ILE A 119 53.341 7.678 -6.089 1.00 1.08 H new ATOM 0 HD12 ILE A 119 54.879 6.877 -5.687 1.00 1.08 H new ATOM 0 HD13 ILE A 119 53.685 6.048 -6.713 1.00 1.08 H new ATOM 550 N MET A 120 54.585 2.340 -2.235 1.00 0.82 N ATOM 551 CA MET A 120 54.928 0.892 -2.084 1.00 0.92 C ATOM 552 C MET A 120 53.995 0.265 -1.056 1.00 0.92 C ATOM 553 O MET A 120 53.499 -0.832 -1.227 1.00 1.01 O ATOM 554 CB MET A 120 56.376 0.841 -1.577 1.00 0.96 C ATOM 555 CG MET A 120 57.177 2.021 -2.130 1.00 1.50 C ATOM 556 SD MET A 120 58.938 1.602 -2.153 1.00 2.13 S ATOM 557 CE MET A 120 58.992 0.744 -0.561 1.00 2.73 C ATOM 0 H MET A 120 55.220 2.989 -1.771 1.00 0.82 H new ATOM 0 HA MET A 120 54.823 0.349 -3.023 1.00 0.92 H new ATOM 0 HB2 MET A 120 56.387 0.864 -0.487 1.00 0.96 H new ATOM 0 HB3 MET A 120 56.841 -0.097 -1.881 1.00 0.96 H new ATOM 0 HG2 MET A 120 56.838 2.264 -3.137 1.00 1.50 H new ATOM 0 HG3 MET A 120 57.011 2.906 -1.515 1.00 1.50 H new ATOM 0 HE1 MET A 120 60.018 0.724 -0.193 1.00 2.73 H new ATOM 0 HE2 MET A 120 58.359 1.267 0.156 1.00 2.73 H new ATOM 0 HE3 MET A 120 58.631 -0.277 -0.686 1.00 2.73 H new ATOM 567 N LEU A 121 53.746 0.968 0.010 1.00 0.88 N ATOM 568 CA LEU A 121 52.834 0.436 1.061 1.00 0.96 C ATOM 569 C LEU A 121 51.388 0.556 0.591 1.00 0.99 C ATOM 570 O LEU A 121 50.531 -0.208 0.983 1.00 1.12 O ATOM 571 CB LEU A 121 53.052 1.327 2.275 1.00 0.98 C ATOM 572 CG LEU A 121 54.551 1.527 2.515 1.00 1.19 C ATOM 573 CD1 LEU A 121 54.765 2.183 3.881 1.00 1.51 C ATOM 574 CD2 LEU A 121 55.255 0.168 2.489 1.00 1.81 C ATOM 0 H LEU A 121 54.135 1.891 0.201 1.00 0.88 H new ATOM 0 HA LEU A 121 53.032 -0.613 1.283 1.00 0.96 H new ATOM 0 HB2 LEU A 121 52.568 2.291 2.120 1.00 0.98 H new ATOM 0 HB3 LEU A 121 52.591 0.877 3.154 1.00 0.98 H new ATOM 0 HG LEU A 121 54.963 2.167 1.735 1.00 1.19 H new ATOM 0 HD11 LEU A 121 55.832 2.326 4.053 1.00 1.51 H new ATOM 0 HD12 LEU A 121 54.261 3.149 3.903 1.00 1.51 H new ATOM 0 HD13 LEU A 121 54.355 1.542 4.661 1.00 1.51 H new ATOM 0 HD21 LEU A 121 56.322 0.308 2.660 1.00 1.81 H new ATOM 0 HD22 LEU A 121 54.843 -0.470 3.271 1.00 1.81 H new ATOM 0 HD23 LEU A 121 55.101 -0.303 1.518 1.00 1.81 H new ATOM 586 N GLN A 122 51.112 1.513 -0.250 1.00 0.95 N ATOM 587 CA GLN A 122 49.723 1.678 -0.752 1.00 1.05 C ATOM 588 C GLN A 122 49.351 0.462 -1.594 1.00 1.12 C ATOM 589 O GLN A 122 48.198 0.098 -1.712 1.00 1.24 O ATOM 590 CB GLN A 122 49.753 2.943 -1.608 1.00 1.07 C ATOM 591 CG GLN A 122 48.958 4.044 -0.910 1.00 1.49 C ATOM 592 CD GLN A 122 49.572 5.406 -1.235 1.00 1.51 C ATOM 593 OE1 GLN A 122 49.816 5.717 -2.384 1.00 2.24 O ATOM 594 NE2 GLN A 122 49.837 6.238 -0.264 1.00 1.52 N ATOM 0 H GLN A 122 51.788 2.186 -0.610 1.00 0.95 H new ATOM 0 HA GLN A 122 48.988 1.761 0.049 1.00 1.05 H new ATOM 0 HB2 GLN A 122 50.782 3.265 -1.765 1.00 1.07 H new ATOM 0 HB3 GLN A 122 49.329 2.740 -2.592 1.00 1.07 H new ATOM 0 HG2 GLN A 122 47.918 4.016 -1.234 1.00 1.49 H new ATOM 0 HG3 GLN A 122 48.961 3.881 0.168 1.00 1.49 H new ATOM 0 HE21 GLN A 122 49.632 5.978 0.701 1.00 1.52 H new ATOM 0 HE22 GLN A 122 50.249 7.148 -0.470 1.00 1.52 H new ATOM 603 N ALA A 123 50.330 -0.179 -2.168 1.00 1.11 N ATOM 604 CA ALA A 123 50.046 -1.386 -2.991 1.00 1.26 C ATOM 605 C ALA A 123 49.610 -2.527 -2.074 1.00 1.39 C ATOM 606 O ALA A 123 48.989 -3.480 -2.500 1.00 1.55 O ATOM 607 CB ALA A 123 51.370 -1.723 -3.679 1.00 1.31 C ATOM 0 H ALA A 123 51.314 0.081 -2.103 1.00 1.11 H new ATOM 0 HA ALA A 123 49.250 -1.225 -3.718 1.00 1.26 H new ATOM 0 HB1 ALA A 123 51.240 -2.605 -4.306 1.00 1.31 H new ATOM 0 HB2 ALA A 123 51.683 -0.882 -4.297 1.00 1.31 H new ATOM 0 HB3 ALA A 123 52.131 -1.923 -2.925 1.00 1.31 H new ATOM 682 N THR A 129 47.510 7.329 5.935 1.00 1.18 N ATOM 683 CA THR A 129 47.898 8.764 5.820 1.00 1.21 C ATOM 684 C THR A 129 49.423 8.901 5.831 1.00 1.10 C ATOM 685 O THR A 129 50.137 7.975 6.164 1.00 1.04 O ATOM 686 CB THR A 129 47.288 9.440 7.048 1.00 1.37 C ATOM 687 OG1 THR A 129 47.359 8.556 8.158 1.00 1.63 O ATOM 688 CG2 THR A 129 45.827 9.792 6.765 1.00 1.63 C ATOM 0 HA THR A 129 47.546 9.214 4.892 1.00 1.21 H new ATOM 0 HB THR A 129 47.841 10.351 7.274 1.00 1.37 H new ATOM 0 HG1 THR A 129 47.260 7.632 7.847 1.00 1.63 H new ATOM 0 HG21 THR A 129 45.393 10.274 7.641 1.00 1.63 H new ATOM 0 HG22 THR A 129 45.775 10.471 5.914 1.00 1.63 H new ATOM 0 HG23 THR A 129 45.271 8.882 6.538 1.00 1.63 H new ATOM 696 N GLU A 130 49.928 10.048 5.469 1.00 1.13 N ATOM 697 CA GLU A 130 51.407 10.242 5.459 1.00 1.09 C ATOM 698 C GLU A 130 51.941 10.300 6.892 1.00 1.03 C ATOM 699 O GLU A 130 53.134 10.346 7.117 1.00 0.98 O ATOM 700 CB GLU A 130 51.627 11.580 4.749 1.00 1.23 C ATOM 701 CG GLU A 130 50.755 11.643 3.494 1.00 1.68 C ATOM 702 CD GLU A 130 49.731 12.770 3.639 1.00 2.20 C ATOM 703 OE1 GLU A 130 50.148 13.905 3.803 1.00 2.77 O ATOM 704 OE2 GLU A 130 48.547 12.480 3.585 1.00 2.66 O ATOM 0 H GLU A 130 49.382 10.859 5.180 1.00 1.13 H new ATOM 0 HA GLU A 130 51.928 9.426 4.959 1.00 1.09 H new ATOM 0 HB2 GLU A 130 51.379 12.404 5.418 1.00 1.23 H new ATOM 0 HB3 GLU A 130 52.677 11.693 4.481 1.00 1.23 H new ATOM 0 HG2 GLU A 130 51.376 11.813 2.615 1.00 1.68 H new ATOM 0 HG3 GLU A 130 50.245 10.691 3.345 1.00 1.68 H new ATOM 711 N ASP A 131 51.069 10.299 7.862 1.00 1.08 N ATOM 712 CA ASP A 131 51.528 10.355 9.279 1.00 1.10 C ATOM 713 C ASP A 131 51.994 8.971 9.739 1.00 0.95 C ATOM 714 O ASP A 131 52.859 8.845 10.584 1.00 0.88 O ATOM 715 CB ASP A 131 50.302 10.800 10.075 1.00 1.27 C ATOM 716 CG ASP A 131 50.730 11.210 11.485 1.00 1.65 C ATOM 717 OD1 ASP A 131 51.021 10.327 12.274 1.00 2.09 O ATOM 718 OD2 ASP A 131 50.760 12.400 11.751 1.00 2.28 O ATOM 0 H ASP A 131 50.058 10.262 7.735 1.00 1.08 H new ATOM 0 HA ASP A 131 52.370 11.034 9.414 1.00 1.10 H new ATOM 0 HB2 ASP A 131 49.814 11.636 9.574 1.00 1.27 H new ATOM 0 HB3 ASP A 131 49.574 9.990 10.125 1.00 1.27 H new ATOM 723 N ASP A 132 51.424 7.932 9.193 1.00 0.96 N ATOM 724 CA ASP A 132 51.833 6.556 9.600 1.00 0.88 C ATOM 725 C ASP A 132 52.946 6.039 8.684 1.00 0.76 C ATOM 726 O ASP A 132 53.790 5.266 9.092 1.00 0.72 O ATOM 727 CB ASP A 132 50.571 5.706 9.441 1.00 0.99 C ATOM 728 CG ASP A 132 49.783 5.707 10.751 1.00 1.31 C ATOM 729 OD1 ASP A 132 50.306 5.208 11.734 1.00 1.95 O ATOM 730 OD2 ASP A 132 48.670 6.207 10.749 1.00 1.70 O ATOM 0 H ASP A 132 50.693 7.975 8.483 1.00 0.96 H new ATOM 0 HA ASP A 132 52.222 6.526 10.618 1.00 0.88 H new ATOM 0 HB2 ASP A 132 49.954 6.101 8.634 1.00 0.99 H new ATOM 0 HB3 ASP A 132 50.840 4.686 9.167 1.00 0.99 H new ATOM 735 N ILE A 133 52.953 6.458 7.447 1.00 0.78 N ATOM 736 CA ILE A 133 54.010 5.985 6.507 1.00 0.73 C ATOM 737 C ILE A 133 55.307 6.774 6.717 1.00 0.66 C ATOM 738 O ILE A 133 56.386 6.217 6.723 1.00 0.63 O ATOM 739 CB ILE A 133 53.444 6.244 5.110 1.00 0.84 C ATOM 740 CG1 ILE A 133 52.271 5.295 4.851 1.00 0.91 C ATOM 741 CG2 ILE A 133 54.535 6.000 4.067 1.00 1.14 C ATOM 742 CD1 ILE A 133 51.665 5.596 3.479 1.00 0.96 C ATOM 0 H ILE A 133 52.274 7.106 7.047 1.00 0.78 H new ATOM 0 HA ILE A 133 54.254 4.934 6.660 1.00 0.73 H new ATOM 0 HB ILE A 133 53.099 7.276 5.042 1.00 0.84 H new ATOM 0 HG12 ILE A 133 52.611 4.260 4.891 1.00 0.91 H new ATOM 0 HG13 ILE A 133 51.516 5.413 5.628 1.00 0.91 H new ATOM 0 HG21 ILE A 133 54.133 6.184 3.071 1.00 1.14 H new ATOM 0 HG22 ILE A 133 55.372 6.674 4.251 1.00 1.14 H new ATOM 0 HG23 ILE A 133 54.879 4.968 4.135 1.00 1.14 H new ATOM 0 HD11 ILE A 133 50.830 4.921 3.294 1.00 0.96 H new ATOM 0 HD12 ILE A 133 51.310 6.626 3.456 1.00 0.96 H new ATOM 0 HD13 ILE A 133 52.423 5.456 2.708 1.00 0.96 H new ATOM 754 N GLU A 134 55.210 8.064 6.887 1.00 0.73 N ATOM 755 CA GLU A 134 56.442 8.880 7.093 1.00 0.77 C ATOM 756 C GLU A 134 57.307 8.261 8.195 1.00 0.70 C ATOM 757 O GLU A 134 58.511 8.161 8.068 1.00 0.68 O ATOM 758 CB GLU A 134 55.939 10.260 7.514 1.00 0.96 C ATOM 759 CG GLU A 134 55.723 11.123 6.269 1.00 0.95 C ATOM 760 CD GLU A 134 55.614 12.593 6.679 1.00 1.60 C ATOM 761 OE1 GLU A 134 54.783 12.893 7.521 1.00 2.27 O ATOM 762 OE2 GLU A 134 56.362 13.394 6.143 1.00 2.07 O ATOM 0 H GLU A 134 54.335 8.588 6.892 1.00 0.73 H new ATOM 0 HA GLU A 134 57.060 8.930 6.196 1.00 0.77 H new ATOM 0 HB2 GLU A 134 55.007 10.165 8.071 1.00 0.96 H new ATOM 0 HB3 GLU A 134 56.660 10.735 8.179 1.00 0.96 H new ATOM 0 HG2 GLU A 134 56.551 10.989 5.573 1.00 0.95 H new ATOM 0 HG3 GLU A 134 54.817 10.811 5.750 1.00 0.95 H new ATOM 769 N GLU A 135 56.704 7.843 9.275 1.00 0.74 N ATOM 770 CA GLU A 135 57.496 7.229 10.378 1.00 0.76 C ATOM 771 C GLU A 135 58.318 6.054 9.842 1.00 0.66 C ATOM 772 O GLU A 135 59.447 5.842 10.238 1.00 0.74 O ATOM 773 CB GLU A 135 56.456 6.742 11.388 1.00 0.88 C ATOM 774 CG GLU A 135 56.667 7.458 12.724 1.00 1.20 C ATOM 775 CD GLU A 135 58.110 7.254 13.191 1.00 1.48 C ATOM 776 OE1 GLU A 135 58.364 6.259 13.848 1.00 1.95 O ATOM 777 OE2 GLU A 135 58.935 8.098 12.883 1.00 2.16 O ATOM 0 H GLU A 135 55.699 7.900 9.441 1.00 0.74 H new ATOM 0 HA GLU A 135 58.199 7.931 10.826 1.00 0.76 H new ATOM 0 HB2 GLU A 135 55.451 6.937 11.014 1.00 0.88 H new ATOM 0 HB3 GLU A 135 56.542 5.664 11.524 1.00 0.88 H new ATOM 0 HG2 GLU A 135 56.456 8.522 12.616 1.00 1.20 H new ATOM 0 HG3 GLU A 135 55.974 7.070 13.470 1.00 1.20 H new ATOM 784 N LEU A 136 57.759 5.292 8.943 1.00 0.62 N ATOM 785 CA LEU A 136 58.504 4.131 8.376 1.00 0.66 C ATOM 786 C LEU A 136 59.693 4.624 7.544 1.00 0.61 C ATOM 787 O LEU A 136 60.829 4.281 7.803 1.00 0.70 O ATOM 788 CB LEU A 136 57.492 3.410 7.487 1.00 0.77 C ATOM 789 CG LEU A 136 57.647 1.898 7.651 1.00 0.86 C ATOM 790 CD1 LEU A 136 57.499 1.527 9.128 1.00 1.63 C ATOM 791 CD2 LEU A 136 56.567 1.183 6.836 1.00 1.38 C ATOM 0 H LEU A 136 56.817 5.423 8.575 1.00 0.62 H new ATOM 0 HA LEU A 136 58.906 3.478 9.150 1.00 0.66 H new ATOM 0 HB2 LEU A 136 56.479 3.712 7.753 1.00 0.77 H new ATOM 0 HB3 LEU A 136 57.645 3.690 6.445 1.00 0.77 H new ATOM 0 HG LEU A 136 58.632 1.594 7.296 1.00 0.86 H new ATOM 0 HD11 LEU A 136 57.609 0.449 9.245 1.00 1.63 H new ATOM 0 HD12 LEU A 136 58.268 2.036 9.710 1.00 1.63 H new ATOM 0 HD13 LEU A 136 56.514 1.831 9.483 1.00 1.63 H new ATOM 0 HD21 LEU A 136 56.677 0.105 6.953 1.00 1.38 H new ATOM 0 HD22 LEU A 136 55.582 1.488 7.190 1.00 1.38 H new ATOM 0 HD23 LEU A 136 56.671 1.447 5.783 1.00 1.38 H new ATOM 803 N MET A 137 59.436 5.426 6.548 1.00 0.55 N ATOM 804 CA MET A 137 60.545 5.942 5.700 1.00 0.59 C ATOM 805 C MET A 137 61.682 6.471 6.582 1.00 0.65 C ATOM 806 O MET A 137 62.839 6.422 6.214 1.00 0.81 O ATOM 807 CB MET A 137 59.910 7.072 4.883 1.00 0.60 C ATOM 808 CG MET A 137 60.998 8.007 4.355 1.00 0.96 C ATOM 809 SD MET A 137 62.268 7.039 3.505 1.00 1.23 S ATOM 810 CE MET A 137 61.463 6.981 1.885 1.00 1.35 C ATOM 0 H MET A 137 58.504 5.746 6.285 1.00 0.55 H new ATOM 0 HA MET A 137 60.981 5.174 5.061 1.00 0.59 H new ATOM 0 HB2 MET A 137 59.341 6.656 4.052 1.00 0.60 H new ATOM 0 HB3 MET A 137 59.208 7.630 5.502 1.00 0.60 H new ATOM 0 HG2 MET A 137 60.564 8.737 3.672 1.00 0.96 H new ATOM 0 HG3 MET A 137 61.443 8.566 5.178 1.00 0.96 H new ATOM 0 HE1 MET A 137 61.422 5.949 1.536 1.00 1.35 H new ATOM 0 HE2 MET A 137 60.451 7.377 1.967 1.00 1.35 H new ATOM 0 HE3 MET A 137 62.031 7.582 1.175 1.00 1.35 H new ATOM 820 N LYS A 138 61.361 6.973 7.744 1.00 0.62 N ATOM 821 CA LYS A 138 62.425 7.500 8.646 1.00 0.79 C ATOM 822 C LYS A 138 63.474 6.417 8.910 1.00 0.86 C ATOM 823 O LYS A 138 64.616 6.536 8.512 1.00 1.16 O ATOM 824 CB LYS A 138 61.700 7.871 9.940 1.00 0.87 C ATOM 825 CG LYS A 138 62.690 8.518 10.913 1.00 1.55 C ATOM 826 CD LYS A 138 61.931 9.081 12.116 1.00 2.07 C ATOM 827 CE LYS A 138 62.929 9.518 13.190 1.00 2.85 C ATOM 828 NZ LYS A 138 63.917 10.369 12.470 1.00 3.36 N ATOM 0 H LYS A 138 60.410 7.041 8.107 1.00 0.62 H new ATOM 0 HA LYS A 138 62.949 8.353 8.215 1.00 0.79 H new ATOM 0 HB2 LYS A 138 60.882 8.559 9.726 1.00 0.87 H new ATOM 0 HB3 LYS A 138 61.260 6.981 10.390 1.00 0.87 H new ATOM 0 HG2 LYS A 138 63.423 7.783 11.244 1.00 1.55 H new ATOM 0 HG3 LYS A 138 63.241 9.314 10.412 1.00 1.55 H new ATOM 0 HD2 LYS A 138 61.317 9.928 11.808 1.00 2.07 H new ATOM 0 HD3 LYS A 138 61.255 8.327 12.518 1.00 2.07 H new ATOM 0 HE2 LYS A 138 62.434 10.074 13.986 1.00 2.85 H new ATOM 0 HE3 LYS A 138 63.412 8.658 13.654 1.00 2.85 H new ATOM 0 HZ1 LYS A 138 64.359 11.030 13.140 1.00 3.36 H new ATOM 0 HZ2 LYS A 138 64.649 9.766 12.044 1.00 3.36 H new ATOM 0 HZ3 LYS A 138 63.433 10.906 11.722 1.00 3.36 H new ATOM 842 N ASP A 139 63.095 5.360 9.574 1.00 0.71 N ATOM 843 CA ASP A 139 64.071 4.270 9.860 1.00 0.85 C ATOM 844 C ASP A 139 64.626 3.702 8.551 1.00 0.85 C ATOM 845 O ASP A 139 65.703 3.139 8.513 1.00 1.02 O ATOM 846 CB ASP A 139 63.270 3.205 10.609 1.00 0.97 C ATOM 847 CG ASP A 139 64.109 2.650 11.762 1.00 1.50 C ATOM 848 OD1 ASP A 139 64.948 1.803 11.504 1.00 2.33 O ATOM 849 OD2 ASP A 139 63.898 3.082 12.883 1.00 1.80 O ATOM 0 H ASP A 139 62.152 5.204 9.931 1.00 0.71 H new ATOM 0 HA ASP A 139 64.923 4.621 10.442 1.00 0.85 H new ATOM 0 HB2 ASP A 139 62.345 3.634 10.993 1.00 0.97 H new ATOM 0 HB3 ASP A 139 62.990 2.400 9.929 1.00 0.97 H new ATOM 854 N GLY A 140 63.900 3.848 7.477 1.00 0.81 N ATOM 855 CA GLY A 140 64.385 3.317 6.172 1.00 0.86 C ATOM 856 C GLY A 140 65.681 4.030 5.780 1.00 0.77 C ATOM 857 O GLY A 140 66.656 3.407 5.412 1.00 0.86 O ATOM 0 H GLY A 140 62.992 4.312 7.447 1.00 0.81 H new ATOM 0 HA2 GLY A 140 64.556 2.243 6.245 1.00 0.86 H new ATOM 0 HA3 GLY A 140 63.628 3.467 5.402 1.00 0.86 H new ATOM 861 N ASP A 141 65.698 5.332 5.857 1.00 0.70 N ATOM 862 CA ASP A 141 66.932 6.086 5.489 1.00 0.66 C ATOM 863 C ASP A 141 68.075 5.726 6.443 1.00 0.74 C ATOM 864 O ASP A 141 68.098 6.139 7.585 1.00 0.87 O ATOM 865 CB ASP A 141 66.553 7.560 5.636 1.00 0.66 C ATOM 866 CG ASP A 141 66.631 8.244 4.270 1.00 0.76 C ATOM 867 OD1 ASP A 141 67.333 7.733 3.412 1.00 0.92 O ATOM 868 OD2 ASP A 141 65.988 9.267 4.104 1.00 0.83 O ATOM 0 H ASP A 141 64.912 5.907 6.159 1.00 0.70 H new ATOM 0 HA ASP A 141 67.275 5.852 4.481 1.00 0.66 H new ATOM 0 HB2 ASP A 141 65.546 7.649 6.042 1.00 0.66 H new ATOM 0 HB3 ASP A 141 67.225 8.051 6.340 1.00 0.66 H new ATOM 873 N LYS A 142 69.026 4.959 5.982 1.00 0.75 N ATOM 874 CA LYS A 142 70.167 4.572 6.862 1.00 0.87 C ATOM 875 C LYS A 142 70.986 5.807 7.244 1.00 0.89 C ATOM 876 O LYS A 142 71.739 5.792 8.197 1.00 1.05 O ATOM 877 CB LYS A 142 71.007 3.611 6.021 1.00 0.89 C ATOM 878 CG LYS A 142 71.351 2.373 6.852 1.00 1.24 C ATOM 879 CD LYS A 142 72.520 1.629 6.203 1.00 1.26 C ATOM 880 CE LYS A 142 73.242 0.790 7.261 1.00 1.55 C ATOM 881 NZ LYS A 142 74.508 0.355 6.608 1.00 1.99 N ATOM 0 H LYS A 142 69.062 4.584 5.034 1.00 0.75 H new ATOM 0 HA LYS A 142 69.832 4.114 7.793 1.00 0.87 H new ATOM 0 HB2 LYS A 142 70.458 3.320 5.125 1.00 0.89 H new ATOM 0 HB3 LYS A 142 71.920 4.105 5.689 1.00 0.89 H new ATOM 0 HG2 LYS A 142 71.613 2.666 7.869 1.00 1.24 H new ATOM 0 HG3 LYS A 142 70.483 1.717 6.923 1.00 1.24 H new ATOM 0 HD2 LYS A 142 72.156 0.987 5.401 1.00 1.26 H new ATOM 0 HD3 LYS A 142 73.213 2.340 5.753 1.00 1.26 H new ATOM 0 HE2 LYS A 142 73.441 1.374 8.159 1.00 1.55 H new ATOM 0 HE3 LYS A 142 72.640 -0.066 7.565 1.00 1.55 H new ATOM 0 HZ1 LYS A 142 75.059 -0.226 7.272 1.00 1.99 H new ATOM 0 HZ2 LYS A 142 74.287 -0.204 5.760 1.00 1.99 H new ATOM 0 HZ3 LYS A 142 75.064 1.191 6.336 1.00 1.99 H new ATOM 895 N ASN A 143 70.846 6.876 6.508 1.00 0.85 N ATOM 896 CA ASN A 143 71.619 8.109 6.834 1.00 1.05 C ATOM 897 C ASN A 143 70.700 9.334 6.802 1.00 1.07 C ATOM 898 O ASN A 143 71.131 10.451 7.015 1.00 1.56 O ATOM 899 CB ASN A 143 72.687 8.211 5.744 1.00 1.08 C ATOM 900 CG ASN A 143 72.044 7.984 4.375 1.00 1.05 C ATOM 901 OD1 ASN A 143 70.909 8.359 4.155 1.00 0.98 O ATOM 902 ND2 ASN A 143 72.724 7.383 3.438 1.00 1.48 N ATOM 0 H ASN A 143 70.232 6.949 5.697 1.00 0.85 H new ATOM 0 HA ASN A 143 72.059 8.067 7.831 1.00 1.05 H new ATOM 0 HB2 ASN A 143 73.162 9.192 5.776 1.00 1.08 H new ATOM 0 HB3 ASN A 143 73.470 7.472 5.917 1.00 1.08 H new ATOM 0 HD21 ASN A 143 72.303 7.228 2.522 1.00 1.48 H new ATOM 0 HD22 ASN A 143 73.677 7.068 3.621 1.00 1.48 H new ATOM 909 N ASN A 144 69.439 9.134 6.539 1.00 0.78 N ATOM 910 CA ASN A 144 68.495 10.288 6.496 1.00 0.82 C ATOM 911 C ASN A 144 68.935 11.294 5.429 1.00 0.82 C ATOM 912 O ASN A 144 69.611 12.262 5.716 1.00 0.92 O ATOM 913 CB ASN A 144 68.574 10.916 7.888 1.00 0.95 C ATOM 914 CG ASN A 144 68.515 9.817 8.950 1.00 1.47 C ATOM 915 OD1 ASN A 144 67.523 9.128 9.075 1.00 2.28 O ATOM 916 ND2 ASN A 144 69.545 9.623 9.728 1.00 1.93 N ATOM 0 H ASN A 144 69.020 8.223 6.352 1.00 0.78 H new ATOM 0 HA ASN A 144 67.480 9.981 6.243 1.00 0.82 H new ATOM 0 HB2 ASN A 144 69.498 11.485 7.990 1.00 0.95 H new ATOM 0 HB3 ASN A 144 67.751 11.617 8.029 1.00 0.95 H new ATOM 0 HD21 ASN A 144 69.516 8.893 10.440 1.00 1.93 H new ATOM 0 HD22 ASN A 144 70.379 10.201 9.624 1.00 1.93 H new ATOM 923 N ASP A 145 68.556 11.075 4.200 1.00 0.75 N ATOM 924 CA ASP A 145 68.953 12.023 3.118 1.00 0.78 C ATOM 925 C ASP A 145 67.750 12.344 2.227 1.00 0.74 C ATOM 926 O ASP A 145 67.879 12.992 1.207 1.00 0.81 O ATOM 927 CB ASP A 145 70.030 11.288 2.320 1.00 0.76 C ATOM 928 CG ASP A 145 71.210 10.956 3.235 1.00 1.12 C ATOM 929 OD1 ASP A 145 71.324 11.585 4.275 1.00 1.85 O ATOM 930 OD2 ASP A 145 71.981 10.079 2.881 1.00 1.72 O ATOM 0 H ASP A 145 67.990 10.282 3.897 1.00 0.75 H new ATOM 0 HA ASP A 145 69.316 12.971 3.514 1.00 0.78 H new ATOM 0 HB2 ASP A 145 69.619 10.373 1.893 1.00 0.76 H new ATOM 0 HB3 ASP A 145 70.365 11.906 1.487 1.00 0.76 H new ATOM 935 N GLY A 146 66.584 11.894 2.601 1.00 0.69 N ATOM 936 CA GLY A 146 65.378 12.173 1.770 1.00 0.70 C ATOM 937 C GLY A 146 65.214 11.070 0.722 1.00 0.58 C ATOM 938 O GLY A 146 64.122 10.792 0.268 1.00 0.62 O ATOM 0 H GLY A 146 66.414 11.346 3.444 1.00 0.69 H new ATOM 0 HA2 GLY A 146 64.491 12.223 2.402 1.00 0.70 H new ATOM 0 HA3 GLY A 146 65.476 13.142 1.281 1.00 0.70 H new ATOM 942 N ARG A 147 66.290 10.439 0.338 1.00 0.54 N ATOM 943 CA ARG A 147 66.191 9.354 -0.678 1.00 0.49 C ATOM 944 C ARG A 147 66.634 8.021 -0.072 1.00 0.44 C ATOM 945 O ARG A 147 67.329 7.978 0.924 1.00 0.56 O ATOM 946 CB ARG A 147 67.144 9.768 -1.800 1.00 0.57 C ATOM 947 CG ARG A 147 66.583 10.994 -2.521 1.00 0.78 C ATOM 948 CD ARG A 147 66.847 10.871 -4.024 1.00 0.73 C ATOM 949 NE ARG A 147 67.974 11.806 -4.295 1.00 1.07 N ATOM 950 CZ ARG A 147 68.697 11.662 -5.372 1.00 1.60 C ATOM 951 NH1 ARG A 147 68.120 11.417 -6.517 1.00 2.22 N ATOM 952 NH2 ARG A 147 69.996 11.763 -5.305 1.00 2.32 N ATOM 0 H ARG A 147 67.231 10.628 0.683 1.00 0.54 H new ATOM 0 HA ARG A 147 65.170 9.221 -1.037 1.00 0.49 H new ATOM 0 HB2 ARG A 147 68.129 9.993 -1.390 1.00 0.57 H new ATOM 0 HB3 ARG A 147 67.272 8.946 -2.504 1.00 0.57 H new ATOM 0 HG2 ARG A 147 65.512 11.079 -2.335 1.00 0.78 H new ATOM 0 HG3 ARG A 147 67.047 11.901 -2.133 1.00 0.78 H new ATOM 0 HD2 ARG A 147 67.108 9.848 -4.296 1.00 0.73 H new ATOM 0 HD3 ARG A 147 65.963 11.139 -4.603 1.00 0.73 H new ATOM 0 HE ARG A 147 68.181 12.559 -3.639 1.00 1.07 H new ATOM 0 HH11 ARG A 147 67.104 11.338 -6.570 1.00 2.22 H new ATOM 0 HH12 ARG A 147 68.685 11.304 -7.359 1.00 2.22 H new ATOM 0 HH21 ARG A 147 70.447 11.955 -4.410 1.00 2.32 H new ATOM 0 HH22 ARG A 147 70.560 11.650 -6.147 1.00 2.32 H new ATOM 966 N ILE A 148 66.241 6.934 -0.672 1.00 0.35 N ATOM 967 CA ILE A 148 66.641 5.601 -0.142 1.00 0.36 C ATOM 968 C ILE A 148 67.200 4.740 -1.277 1.00 0.40 C ATOM 969 O ILE A 148 66.524 4.459 -2.247 1.00 0.41 O ATOM 970 CB ILE A 148 65.352 4.994 0.422 1.00 0.35 C ATOM 971 CG1 ILE A 148 65.084 5.582 1.811 1.00 0.40 C ATOM 972 CG2 ILE A 148 65.500 3.473 0.532 1.00 0.43 C ATOM 973 CD1 ILE A 148 64.020 4.749 2.529 1.00 0.40 C ATOM 0 H ILE A 148 65.658 6.910 -1.509 1.00 0.35 H new ATOM 0 HA ILE A 148 67.418 5.667 0.619 1.00 0.36 H new ATOM 0 HB ILE A 148 64.520 5.226 -0.243 1.00 0.35 H new ATOM 0 HG12 ILE A 148 66.004 5.594 2.395 1.00 0.40 H new ATOM 0 HG13 ILE A 148 64.750 6.616 1.720 1.00 0.40 H new ATOM 0 HG21 ILE A 148 64.581 3.046 0.934 1.00 0.43 H new ATOM 0 HG22 ILE A 148 65.694 3.054 -0.455 1.00 0.43 H new ATOM 0 HG23 ILE A 148 66.331 3.235 1.196 1.00 0.43 H new ATOM 0 HD11 ILE A 148 63.833 5.171 3.516 1.00 0.40 H new ATOM 0 HD12 ILE A 148 63.097 4.759 1.949 1.00 0.40 H new ATOM 0 HD13 ILE A 148 64.371 3.722 2.634 1.00 0.40 H new ATOM 985 N ASP A 149 68.430 4.322 -1.165 1.00 0.47 N ATOM 986 CA ASP A 149 69.027 3.480 -2.242 1.00 0.55 C ATOM 987 C ASP A 149 68.829 1.997 -1.923 1.00 0.58 C ATOM 988 O ASP A 149 68.031 1.634 -1.081 1.00 0.54 O ATOM 989 CB ASP A 149 70.516 3.839 -2.262 1.00 0.65 C ATOM 990 CG ASP A 149 71.086 3.784 -0.842 1.00 1.32 C ATOM 991 OD1 ASP A 149 71.360 2.691 -0.376 1.00 2.00 O ATOM 992 OD2 ASP A 149 71.242 4.838 -0.247 1.00 2.16 O ATOM 0 H ASP A 149 69.046 4.525 -0.378 1.00 0.47 H new ATOM 0 HA ASP A 149 68.560 3.660 -3.210 1.00 0.55 H new ATOM 0 HB2 ASP A 149 71.057 3.147 -2.907 1.00 0.65 H new ATOM 0 HB3 ASP A 149 70.653 4.837 -2.679 1.00 0.65 H new ATOM 997 N TYR A 150 69.540 1.135 -2.595 1.00 0.67 N ATOM 998 CA TYR A 150 69.382 -0.325 -2.333 1.00 0.73 C ATOM 999 C TYR A 150 69.806 -0.662 -0.901 1.00 0.75 C ATOM 1000 O TYR A 150 69.225 -1.513 -0.257 1.00 0.76 O ATOM 1001 CB TYR A 150 70.301 -1.012 -3.344 1.00 0.84 C ATOM 1002 CG TYR A 150 69.493 -1.981 -4.174 1.00 0.97 C ATOM 1003 CD1 TYR A 150 69.318 -3.299 -3.737 1.00 1.63 C ATOM 1004 CD2 TYR A 150 68.918 -1.559 -5.378 1.00 1.74 C ATOM 1005 CE1 TYR A 150 68.566 -4.196 -4.504 1.00 2.06 C ATOM 1006 CE2 TYR A 150 68.166 -2.456 -6.146 1.00 2.14 C ATOM 1007 CZ TYR A 150 67.989 -3.775 -5.709 1.00 2.02 C ATOM 1008 OH TYR A 150 67.248 -4.660 -6.465 1.00 2.63 O ATOM 0 H TYR A 150 70.223 1.377 -3.313 1.00 0.67 H new ATOM 0 HA TYR A 150 68.347 -0.651 -2.437 1.00 0.73 H new ATOM 0 HB2 TYR A 150 70.773 -0.269 -3.987 1.00 0.84 H new ATOM 0 HB3 TYR A 150 71.102 -1.539 -2.825 1.00 0.84 H new ATOM 0 HD1 TYR A 150 69.763 -3.624 -2.808 1.00 1.63 H new ATOM 0 HD2 TYR A 150 69.054 -0.542 -5.715 1.00 1.74 H new ATOM 0 HE1 TYR A 150 68.430 -5.213 -4.167 1.00 2.06 H new ATOM 0 HE2 TYR A 150 67.722 -2.131 -7.075 1.00 2.14 H new ATOM 0 HH TYR A 150 66.319 -4.351 -6.513 1.00 2.63 H new ATOM 1018 N ASP A 151 70.815 -0.007 -0.397 1.00 0.78 N ATOM 1019 CA ASP A 151 71.272 -0.296 0.994 1.00 0.82 C ATOM 1020 C ASP A 151 70.240 0.207 2.010 1.00 0.74 C ATOM 1021 O ASP A 151 69.636 -0.565 2.728 1.00 0.76 O ATOM 1022 CB ASP A 151 72.590 0.466 1.146 1.00 0.87 C ATOM 1023 CG ASP A 151 73.763 -0.509 1.011 1.00 1.31 C ATOM 1024 OD1 ASP A 151 73.682 -1.585 1.580 1.00 1.67 O ATOM 1025 OD2 ASP A 151 74.722 -0.162 0.342 1.00 2.08 O ATOM 0 H ASP A 151 71.343 0.715 -0.886 1.00 0.78 H new ATOM 0 HA ASP A 151 71.396 -1.364 1.172 1.00 0.82 H new ATOM 0 HB2 ASP A 151 72.662 1.245 0.387 1.00 0.87 H new ATOM 0 HB3 ASP A 151 72.626 0.962 2.116 1.00 0.87 H new ATOM 1030 N GLU A 152 70.035 1.495 2.078 1.00 0.67 N ATOM 1031 CA GLU A 152 69.045 2.046 3.052 1.00 0.61 C ATOM 1032 C GLU A 152 67.723 1.276 2.960 1.00 0.58 C ATOM 1033 O GLU A 152 67.136 0.912 3.959 1.00 0.58 O ATOM 1034 CB GLU A 152 68.848 3.506 2.639 1.00 0.59 C ATOM 1035 CG GLU A 152 70.206 4.209 2.565 1.00 0.76 C ATOM 1036 CD GLU A 152 70.001 5.724 2.621 1.00 0.75 C ATOM 1037 OE1 GLU A 152 69.968 6.257 3.718 1.00 1.20 O ATOM 1038 OE2 GLU A 152 69.882 6.326 1.566 1.00 1.39 O ATOM 0 H GLU A 152 70.509 2.190 1.502 1.00 0.67 H new ATOM 0 HA GLU A 152 69.390 1.959 4.082 1.00 0.61 H new ATOM 0 HB2 GLU A 152 68.349 3.556 1.671 1.00 0.59 H new ATOM 0 HB3 GLU A 152 68.204 4.013 3.357 1.00 0.59 H new ATOM 0 HG2 GLU A 152 70.840 3.886 3.391 1.00 0.76 H new ATOM 0 HG3 GLU A 152 70.719 3.935 1.643 1.00 0.76 H new ATOM 1045 N PHE A 153 67.251 1.028 1.768 1.00 0.60 N ATOM 1046 CA PHE A 153 65.968 0.284 1.614 1.00 0.61 C ATOM 1047 C PHE A 153 66.097 -1.119 2.217 1.00 0.66 C ATOM 1048 O PHE A 153 65.238 -1.574 2.947 1.00 0.71 O ATOM 1049 CB PHE A 153 65.738 0.207 0.102 1.00 0.64 C ATOM 1050 CG PHE A 153 64.742 -0.887 -0.209 1.00 0.68 C ATOM 1051 CD1 PHE A 153 65.176 -2.211 -0.341 1.00 1.47 C ATOM 1052 CD2 PHE A 153 63.387 -0.575 -0.365 1.00 1.18 C ATOM 1053 CE1 PHE A 153 64.254 -3.225 -0.628 1.00 1.55 C ATOM 1054 CE2 PHE A 153 62.464 -1.589 -0.652 1.00 1.24 C ATOM 1055 CZ PHE A 153 62.898 -2.914 -0.783 1.00 0.93 C ATOM 0 H PHE A 153 67.698 1.308 0.895 1.00 0.60 H new ATOM 0 HA PHE A 153 65.138 0.771 2.126 1.00 0.61 H new ATOM 0 HB2 PHE A 153 65.369 1.163 -0.268 1.00 0.64 H new ATOM 0 HB3 PHE A 153 66.680 0.010 -0.409 1.00 0.64 H new ATOM 0 HD1 PHE A 153 66.222 -2.451 -0.221 1.00 1.47 H new ATOM 0 HD2 PHE A 153 63.053 0.447 -0.264 1.00 1.18 H new ATOM 0 HE1 PHE A 153 64.589 -4.247 -0.730 1.00 1.55 H new ATOM 0 HE2 PHE A 153 61.418 -1.349 -0.772 1.00 1.24 H new ATOM 0 HZ PHE A 153 62.186 -3.696 -1.004 1.00 0.93 H new ATOM 1065 N LEU A 154 67.162 -1.810 1.915 1.00 0.72 N ATOM 1066 CA LEU A 154 67.344 -3.182 2.467 1.00 0.80 C ATOM 1067 C LEU A 154 67.165 -3.171 3.988 1.00 0.79 C ATOM 1068 O LEU A 154 66.431 -3.967 4.542 1.00 0.82 O ATOM 1069 CB LEU A 154 68.777 -3.572 2.100 1.00 0.92 C ATOM 1070 CG LEU A 154 68.748 -4.699 1.065 1.00 0.85 C ATOM 1071 CD1 LEU A 154 70.055 -4.698 0.270 1.00 1.74 C ATOM 1072 CD2 LEU A 154 68.589 -6.042 1.781 1.00 1.54 C ATOM 0 H LEU A 154 67.915 -1.483 1.309 1.00 0.72 H new ATOM 0 HA LEU A 154 66.614 -3.886 2.067 1.00 0.80 H new ATOM 0 HB2 LEU A 154 69.309 -2.709 1.699 1.00 0.92 H new ATOM 0 HB3 LEU A 154 69.317 -3.895 2.990 1.00 0.92 H new ATOM 0 HG LEU A 154 67.910 -4.546 0.385 1.00 0.85 H new ATOM 0 HD11 LEU A 154 70.033 -5.501 -0.467 1.00 1.74 H new ATOM 0 HD12 LEU A 154 70.170 -3.741 -0.239 1.00 1.74 H new ATOM 0 HD13 LEU A 154 70.894 -4.851 0.949 1.00 1.74 H new ATOM 0 HD21 LEU A 154 68.568 -6.846 1.046 1.00 1.54 H new ATOM 0 HD22 LEU A 154 69.428 -6.194 2.461 1.00 1.54 H new ATOM 0 HD23 LEU A 154 67.658 -6.044 2.348 1.00 1.54 H new ATOM 1084 N GLU A 155 67.830 -2.278 4.668 1.00 0.79 N ATOM 1085 CA GLU A 155 67.699 -2.219 6.152 1.00 0.82 C ATOM 1086 C GLU A 155 66.306 -1.720 6.544 1.00 0.81 C ATOM 1087 O GLU A 155 65.822 -1.990 7.625 1.00 0.90 O ATOM 1088 CB GLU A 155 68.772 -1.228 6.605 1.00 0.85 C ATOM 1089 CG GLU A 155 69.486 -1.778 7.840 1.00 0.95 C ATOM 1090 CD GLU A 155 68.460 -2.063 8.938 1.00 1.67 C ATOM 1091 OE1 GLU A 155 67.609 -1.217 9.159 1.00 2.27 O ATOM 1092 OE2 GLU A 155 68.542 -3.121 9.539 1.00 2.47 O ATOM 0 H GLU A 155 68.459 -1.586 4.260 1.00 0.79 H new ATOM 0 HA GLU A 155 67.825 -3.197 6.616 1.00 0.82 H new ATOM 0 HB2 GLU A 155 69.489 -1.060 5.802 1.00 0.85 H new ATOM 0 HB3 GLU A 155 68.318 -0.264 6.834 1.00 0.85 H new ATOM 0 HG2 GLU A 155 70.025 -2.691 7.585 1.00 0.95 H new ATOM 0 HG3 GLU A 155 70.225 -1.060 8.196 1.00 0.95 H new ATOM 1099 N PHE A 156 65.657 -0.993 5.675 1.00 0.75 N ATOM 1100 CA PHE A 156 64.297 -0.478 6.005 1.00 0.78 C ATOM 1101 C PHE A 156 63.326 -1.645 6.202 1.00 0.84 C ATOM 1102 O PHE A 156 62.807 -1.860 7.279 1.00 0.90 O ATOM 1103 CB PHE A 156 63.889 0.366 4.795 1.00 0.78 C ATOM 1104 CG PHE A 156 62.593 1.098 5.078 1.00 0.85 C ATOM 1105 CD1 PHE A 156 62.059 1.127 6.375 1.00 1.66 C ATOM 1106 CD2 PHE A 156 61.926 1.752 4.035 1.00 1.27 C ATOM 1107 CE1 PHE A 156 60.862 1.809 6.625 1.00 1.77 C ATOM 1108 CE2 PHE A 156 60.729 2.434 4.286 1.00 1.31 C ATOM 1109 CZ PHE A 156 60.197 2.461 5.580 1.00 1.10 C ATOM 0 H PHE A 156 66.009 -0.734 4.753 1.00 0.75 H new ATOM 0 HA PHE A 156 64.285 0.103 6.927 1.00 0.78 H new ATOM 0 HB2 PHE A 156 64.676 1.083 4.561 1.00 0.78 H new ATOM 0 HB3 PHE A 156 63.770 -0.273 3.920 1.00 0.78 H new ATOM 0 HD1 PHE A 156 62.571 0.623 7.181 1.00 1.66 H new ATOM 0 HD2 PHE A 156 62.335 1.730 3.036 1.00 1.27 H new ATOM 0 HE1 PHE A 156 60.452 1.832 7.624 1.00 1.77 H new ATOM 0 HE2 PHE A 156 60.216 2.939 3.481 1.00 1.31 H new ATOM 0 HZ PHE A 156 59.273 2.985 5.773 1.00 1.10 H new ATOM 1119 N MET A 157 63.077 -2.403 5.169 1.00 0.86 N ATOM 1120 CA MET A 157 62.140 -3.557 5.298 1.00 0.95 C ATOM 1121 C MET A 157 62.741 -4.626 6.215 1.00 0.99 C ATOM 1122 O MET A 157 62.063 -5.534 6.652 1.00 1.12 O ATOM 1123 CB MET A 157 61.980 -4.100 3.878 1.00 0.99 C ATOM 1124 CG MET A 157 61.379 -3.017 2.982 1.00 1.28 C ATOM 1125 SD MET A 157 59.662 -3.437 2.596 1.00 1.48 S ATOM 1126 CE MET A 157 59.471 -2.323 1.183 1.00 1.12 C ATOM 0 H MET A 157 63.481 -2.274 4.241 1.00 0.86 H new ATOM 0 HA MET A 157 61.184 -3.265 5.733 1.00 0.95 H new ATOM 0 HB2 MET A 157 62.947 -4.415 3.487 1.00 0.99 H new ATOM 0 HB3 MET A 157 61.337 -4.980 3.884 1.00 0.99 H new ATOM 0 HG2 MET A 157 61.424 -2.050 3.482 1.00 1.28 H new ATOM 0 HG3 MET A 157 61.958 -2.928 2.063 1.00 1.28 H new ATOM 0 HE1 MET A 157 58.552 -2.566 0.650 1.00 1.12 H new ATOM 0 HE2 MET A 157 59.424 -1.293 1.536 1.00 1.12 H new ATOM 0 HE3 MET A 157 60.322 -2.438 0.511 1.00 1.12 H new ATOM 1136 N LYS A 158 64.009 -4.526 6.508 1.00 0.94 N ATOM 1137 CA LYS A 158 64.652 -5.539 7.394 1.00 1.02 C ATOM 1138 C LYS A 158 64.008 -5.514 8.784 1.00 1.05 C ATOM 1139 O LYS A 158 63.388 -6.468 9.208 1.00 1.20 O ATOM 1140 CB LYS A 158 66.120 -5.121 7.474 1.00 1.07 C ATOM 1141 CG LYS A 158 67.004 -6.280 7.012 1.00 1.26 C ATOM 1142 CD LYS A 158 68.281 -5.729 6.373 1.00 1.53 C ATOM 1143 CE LYS A 158 69.312 -6.853 6.240 1.00 1.45 C ATOM 1144 NZ LYS A 158 70.315 -6.342 5.266 1.00 2.07 N ATOM 0 H LYS A 158 64.627 -3.787 6.173 1.00 0.94 H new ATOM 0 HA LYS A 158 64.538 -6.553 7.011 1.00 1.02 H new ATOM 0 HB2 LYS A 158 66.295 -4.245 6.850 1.00 1.07 H new ATOM 0 HB3 LYS A 158 66.374 -4.840 8.496 1.00 1.07 H new ATOM 0 HG2 LYS A 158 67.255 -6.919 7.859 1.00 1.26 H new ATOM 0 HG3 LYS A 158 66.464 -6.899 6.295 1.00 1.26 H new ATOM 0 HD2 LYS A 158 68.057 -5.308 5.393 1.00 1.53 H new ATOM 0 HD3 LYS A 158 68.685 -4.920 6.982 1.00 1.53 H new ATOM 0 HE2 LYS A 158 69.775 -7.080 7.201 1.00 1.45 H new ATOM 0 HE3 LYS A 158 68.849 -7.773 5.884 1.00 1.45 H new ATOM 0 HZ1 LYS A 158 70.342 -6.967 4.435 1.00 2.07 H new ATOM 0 HZ2 LYS A 158 70.052 -5.381 4.968 1.00 2.07 H new ATOM 0 HZ3 LYS A 158 71.254 -6.321 5.713 1.00 2.07 H new