USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=11 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 -162:sc= -0.0882 (180deg=0) USER MOD Set 1.2: A 157 MET CE :methyl 157:sc= -0.749 (180deg=-0.898) USER MOD Single : A 98 SER OG : rot 180:sc= -0.803! USER MOD Single : A 103 MET CE :methyl 138:sc= -0.43 (180deg=-1.87) USER MOD Single : A 106 LYS NZ :NH3+ 177:sc= -0.466 (180deg=-0.472) USER MOD Single : A 107 ASN : amide:sc= -5.46! C(o=-5.5!,f=-6.1!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -126:sc= -0.578 (180deg=-2.04!) USER MOD Single : A 122 GLN : amide:sc= -0.187 X(o=-0.19,f=0) USER MOD Single : A 129 THR OG1 : rot -40:sc= 0.744 USER MOD Single : A 137 MET CE :methyl 149:sc= -0.0665 (180deg=-1.14) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= -8.65! C(o=-8.7!,f=-15!) 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 USER MOD Single : A 158 LYS NZ :NH3+ 151:sc= 0 (180deg=-1.02) USER MOD ----------------------------------------------------------------- ATOM 155 N GLU A 96 65.088 -11.250 -3.576 1.00 1.38 N ATOM 156 CA GLU A 96 63.741 -10.713 -3.920 1.00 1.34 C ATOM 157 C GLU A 96 63.645 -9.236 -3.530 1.00 1.16 C ATOM 158 O GLU A 96 62.977 -8.455 -4.180 1.00 1.07 O ATOM 159 CB GLU A 96 62.759 -11.550 -3.102 1.00 1.51 C ATOM 160 CG GLU A 96 62.648 -12.949 -3.714 1.00 2.07 C ATOM 161 CD GLU A 96 61.817 -12.878 -4.996 1.00 2.19 C ATOM 162 OE1 GLU A 96 60.601 -12.856 -4.889 1.00 2.60 O ATOM 163 OE2 GLU A 96 62.409 -12.849 -6.062 1.00 2.61 O ATOM 0 HA GLU A 96 63.533 -10.772 -4.988 1.00 1.34 H new ATOM 0 HB2 GLU A 96 63.097 -11.619 -2.068 1.00 1.51 H new ATOM 0 HB3 GLU A 96 61.781 -11.070 -3.086 1.00 1.51 H new ATOM 0 HG2 GLU A 96 63.641 -13.342 -3.932 1.00 2.07 H new ATOM 0 HG3 GLU A 96 62.183 -13.633 -3.004 1.00 2.07 H new ATOM 170 N LEU A 97 64.307 -8.845 -2.476 1.00 1.14 N ATOM 171 CA LEU A 97 64.251 -7.418 -2.049 1.00 0.99 C ATOM 172 C LEU A 97 64.801 -6.518 -3.158 1.00 0.82 C ATOM 173 O LEU A 97 64.199 -5.529 -3.523 1.00 0.70 O ATOM 174 CB LEU A 97 65.135 -7.339 -0.803 1.00 1.03 C ATOM 175 CG LEU A 97 64.327 -7.767 0.423 1.00 1.31 C ATOM 176 CD1 LEU A 97 65.281 -8.131 1.563 1.00 1.57 C ATOM 177 CD2 LEU A 97 63.424 -6.614 0.865 1.00 1.71 C ATOM 0 H LEU A 97 64.884 -9.451 -1.892 1.00 1.14 H new ATOM 0 HA LEU A 97 63.233 -7.086 -1.844 1.00 0.99 H new ATOM 0 HB2 LEU A 97 66.006 -7.983 -0.921 1.00 1.03 H new ATOM 0 HB3 LEU A 97 65.506 -6.323 -0.671 1.00 1.03 H new ATOM 0 HG LEU A 97 63.716 -8.633 0.170 1.00 1.31 H new ATOM 0 HD11 LEU A 97 64.705 -8.436 2.436 1.00 1.57 H new ATOM 0 HD12 LEU A 97 65.926 -8.952 1.249 1.00 1.57 H new ATOM 0 HD13 LEU A 97 65.893 -7.265 1.816 1.00 1.57 H new ATOM 0 HD21 LEU A 97 62.847 -6.918 1.739 1.00 1.71 H new ATOM 0 HD22 LEU A 97 64.036 -5.748 1.117 1.00 1.71 H new ATOM 0 HD23 LEU A 97 62.744 -6.353 0.054 1.00 1.71 H new ATOM 189 N SER A 98 65.938 -6.857 -3.705 1.00 0.87 N ATOM 190 CA SER A 98 66.514 -6.020 -4.795 1.00 0.78 C ATOM 191 C SER A 98 65.442 -5.743 -5.851 1.00 0.75 C ATOM 192 O SER A 98 65.161 -4.609 -6.183 1.00 0.74 O ATOM 193 CB SER A 98 67.649 -6.856 -5.383 1.00 0.93 C ATOM 194 OG SER A 98 67.210 -7.459 -6.594 1.00 1.41 O ATOM 0 H SER A 98 66.490 -7.674 -3.445 1.00 0.87 H new ATOM 0 HA SER A 98 66.872 -5.055 -4.437 1.00 0.78 H new ATOM 0 HB2 SER A 98 68.519 -6.227 -5.571 1.00 0.93 H new ATOM 0 HB3 SER A 98 67.957 -7.623 -4.672 1.00 0.93 H new ATOM 0 HG SER A 98 67.937 -7.995 -6.975 1.00 1.41 H new ATOM 200 N ASP A 99 64.833 -6.773 -6.374 1.00 0.80 N ATOM 201 CA ASP A 99 63.770 -6.567 -7.397 1.00 0.82 C ATOM 202 C ASP A 99 62.603 -5.798 -6.774 1.00 0.77 C ATOM 203 O ASP A 99 61.882 -5.087 -7.446 1.00 0.77 O ATOM 204 CB ASP A 99 63.331 -7.975 -7.801 1.00 0.93 C ATOM 205 CG ASP A 99 64.549 -8.776 -8.266 1.00 1.45 C ATOM 206 OD1 ASP A 99 65.428 -8.183 -8.869 1.00 1.92 O ATOM 207 OD2 ASP A 99 64.581 -9.968 -8.010 1.00 2.18 O ATOM 0 H ASP A 99 65.026 -7.746 -6.137 1.00 0.80 H new ATOM 0 HA ASP A 99 64.118 -5.992 -8.255 1.00 0.82 H new ATOM 0 HB2 ASP A 99 62.854 -8.475 -6.958 1.00 0.93 H new ATOM 0 HB3 ASP A 99 62.591 -7.922 -8.600 1.00 0.93 H new ATOM 212 N LEU A 100 62.420 -5.932 -5.489 1.00 0.77 N ATOM 213 CA LEU A 100 61.309 -5.208 -4.810 1.00 0.77 C ATOM 214 C LEU A 100 61.598 -3.705 -4.808 1.00 0.64 C ATOM 215 O LEU A 100 60.699 -2.888 -4.785 1.00 0.64 O ATOM 216 CB LEU A 100 61.299 -5.754 -3.381 1.00 0.85 C ATOM 217 CG LEU A 100 60.178 -6.785 -3.231 1.00 1.16 C ATOM 218 CD1 LEU A 100 58.825 -6.098 -3.415 1.00 1.54 C ATOM 219 CD2 LEU A 100 60.344 -7.878 -4.289 1.00 1.57 C ATOM 0 H LEU A 100 62.994 -6.514 -4.879 1.00 0.77 H new ATOM 0 HA LEU A 100 60.349 -5.352 -5.306 1.00 0.77 H new ATOM 0 HB2 LEU A 100 62.261 -6.212 -3.150 1.00 0.85 H new ATOM 0 HB3 LEU A 100 61.155 -4.940 -2.671 1.00 0.85 H new ATOM 0 HG LEU A 100 60.226 -7.231 -2.238 1.00 1.16 H new ATOM 0 HD11 LEU A 100 58.027 -6.832 -3.308 1.00 1.54 H new ATOM 0 HD12 LEU A 100 58.706 -5.320 -2.660 1.00 1.54 H new ATOM 0 HD13 LEU A 100 58.776 -5.651 -4.408 1.00 1.54 H new ATOM 0 HD21 LEU A 100 59.546 -8.612 -4.182 1.00 1.57 H new ATOM 0 HD22 LEU A 100 60.297 -7.433 -5.283 1.00 1.57 H new ATOM 0 HD23 LEU A 100 61.308 -8.369 -4.157 1.00 1.57 H new ATOM 231 N PHE A 101 62.850 -3.337 -4.834 1.00 0.60 N ATOM 232 CA PHE A 101 63.206 -1.889 -4.833 1.00 0.53 C ATOM 233 C PHE A 101 63.113 -1.318 -6.251 1.00 0.49 C ATOM 234 O PHE A 101 62.510 -0.288 -6.476 1.00 0.61 O ATOM 235 CB PHE A 101 64.650 -1.841 -4.332 1.00 0.57 C ATOM 236 CG PHE A 101 65.162 -0.424 -4.412 1.00 0.46 C ATOM 237 CD1 PHE A 101 65.569 0.105 -5.643 1.00 1.23 C ATOM 238 CD2 PHE A 101 65.229 0.362 -3.256 1.00 1.31 C ATOM 239 CE1 PHE A 101 66.044 1.420 -5.717 1.00 1.23 C ATOM 240 CE2 PHE A 101 65.704 1.676 -3.331 1.00 1.30 C ATOM 241 CZ PHE A 101 66.111 2.205 -4.561 1.00 0.40 C ATOM 0 H PHE A 101 63.643 -3.978 -4.856 1.00 0.60 H new ATOM 0 HA PHE A 101 62.535 -1.299 -4.209 1.00 0.53 H new ATOM 0 HB2 PHE A 101 64.702 -2.201 -3.304 1.00 0.57 H new ATOM 0 HB3 PHE A 101 65.277 -2.500 -4.932 1.00 0.57 H new ATOM 0 HD1 PHE A 101 65.517 -0.501 -6.535 1.00 1.23 H new ATOM 0 HD2 PHE A 101 64.914 -0.045 -2.307 1.00 1.31 H new ATOM 0 HE1 PHE A 101 66.359 1.828 -6.666 1.00 1.23 H new ATOM 0 HE2 PHE A 101 65.757 2.282 -2.439 1.00 1.30 H new ATOM 0 HZ PHE A 101 66.477 3.220 -4.618 1.00 0.40 H new ATOM 251 N ARG A 102 63.705 -1.979 -7.208 1.00 0.53 N ATOM 252 CA ARG A 102 63.649 -1.471 -8.608 1.00 0.70 C ATOM 253 C ARG A 102 62.207 -1.497 -9.125 1.00 0.80 C ATOM 254 O ARG A 102 61.885 -0.885 -10.123 1.00 1.09 O ATOM 255 CB ARG A 102 64.524 -2.432 -9.414 1.00 0.87 C ATOM 256 CG ARG A 102 65.349 -1.639 -10.430 1.00 1.28 C ATOM 257 CD ARG A 102 66.471 -0.891 -9.706 1.00 1.83 C ATOM 258 NE ARG A 102 67.412 -0.474 -10.781 1.00 2.26 N ATOM 259 CZ ARG A 102 68.283 0.470 -10.555 1.00 2.89 C ATOM 260 NH1 ARG A 102 68.818 0.595 -9.371 1.00 3.68 N ATOM 261 NH2 ARG A 102 68.620 1.291 -11.512 1.00 3.22 N ATOM 0 H ARG A 102 64.224 -2.848 -7.081 1.00 0.53 H new ATOM 0 HA ARG A 102 63.995 -0.440 -8.686 1.00 0.70 H new ATOM 0 HB2 ARG A 102 65.184 -2.987 -8.747 1.00 0.87 H new ATOM 0 HB3 ARG A 102 63.901 -3.164 -9.927 1.00 0.87 H new ATOM 0 HG2 ARG A 102 65.770 -2.312 -11.177 1.00 1.28 H new ATOM 0 HG3 ARG A 102 64.710 -0.933 -10.961 1.00 1.28 H new ATOM 0 HD2 ARG A 102 66.084 -0.028 -9.164 1.00 1.83 H new ATOM 0 HD3 ARG A 102 66.965 -1.532 -8.976 1.00 1.83 H new ATOM 0 HE ARG A 102 67.376 -0.926 -11.694 1.00 2.26 H new ATOM 0 HH11 ARG A 102 68.555 -0.046 -8.622 1.00 3.68 H new ATOM 0 HH12 ARG A 102 69.499 1.333 -9.195 1.00 3.68 H new ATOM 0 HH21 ARG A 102 68.202 1.195 -12.437 1.00 3.22 H new ATOM 0 HH22 ARG A 102 69.301 2.029 -11.334 1.00 3.22 H new ATOM 275 N MET A 103 61.338 -2.202 -8.452 1.00 0.68 N ATOM 276 CA MET A 103 59.920 -2.266 -8.909 1.00 0.81 C ATOM 277 C MET A 103 59.065 -1.257 -8.135 1.00 0.79 C ATOM 278 O MET A 103 58.109 -0.716 -8.652 1.00 0.90 O ATOM 279 CB MET A 103 59.468 -3.694 -8.602 1.00 0.91 C ATOM 280 CG MET A 103 57.959 -3.811 -8.826 1.00 1.35 C ATOM 281 SD MET A 103 57.460 -5.544 -8.675 1.00 1.92 S ATOM 282 CE MET A 103 57.780 -5.721 -6.902 1.00 1.63 C ATOM 0 H MET A 103 61.548 -2.735 -7.608 1.00 0.68 H new ATOM 0 HA MET A 103 59.818 -2.023 -9.967 1.00 0.81 H new ATOM 0 HB2 MET A 103 59.997 -4.400 -9.242 1.00 0.91 H new ATOM 0 HB3 MET A 103 59.714 -3.951 -7.572 1.00 0.91 H new ATOM 0 HG2 MET A 103 57.424 -3.202 -8.097 1.00 1.35 H new ATOM 0 HG3 MET A 103 57.696 -3.430 -9.813 1.00 1.35 H new ATOM 0 HE1 MET A 103 56.970 -6.287 -6.441 1.00 1.63 H new ATOM 0 HE2 MET A 103 58.722 -6.249 -6.753 1.00 1.63 H new ATOM 0 HE3 MET A 103 57.840 -4.734 -6.443 1.00 1.63 H new ATOM 292 N PHE A 104 59.402 -1.001 -6.901 1.00 0.71 N ATOM 293 CA PHE A 104 58.605 -0.029 -6.098 1.00 0.75 C ATOM 294 C PHE A 104 59.106 1.399 -6.339 1.00 0.68 C ATOM 295 O PHE A 104 58.541 2.356 -5.850 1.00 0.80 O ATOM 296 CB PHE A 104 58.828 -0.439 -4.642 1.00 0.76 C ATOM 297 CG PHE A 104 57.666 -1.284 -4.175 1.00 1.03 C ATOM 298 CD1 PHE A 104 56.369 -0.752 -4.173 1.00 1.71 C ATOM 299 CD2 PHE A 104 57.883 -2.599 -3.746 1.00 1.67 C ATOM 300 CE1 PHE A 104 55.292 -1.536 -3.742 1.00 2.03 C ATOM 301 CE2 PHE A 104 56.805 -3.382 -3.316 1.00 1.90 C ATOM 302 CZ PHE A 104 55.510 -2.851 -3.314 1.00 1.76 C ATOM 0 H PHE A 104 60.193 -1.422 -6.414 1.00 0.71 H new ATOM 0 HA PHE A 104 57.549 -0.042 -6.367 1.00 0.75 H new ATOM 0 HB2 PHE A 104 59.759 -0.998 -4.549 1.00 0.76 H new ATOM 0 HB3 PHE A 104 58.924 0.447 -4.014 1.00 0.76 H new ATOM 0 HD1 PHE A 104 56.201 0.262 -4.504 1.00 1.71 H new ATOM 0 HD2 PHE A 104 58.882 -3.009 -3.747 1.00 1.67 H new ATOM 0 HE1 PHE A 104 54.293 -1.126 -3.740 1.00 2.03 H new ATOM 0 HE2 PHE A 104 56.973 -4.396 -2.986 1.00 1.90 H new ATOM 0 HZ PHE A 104 54.679 -3.456 -2.982 1.00 1.76 H new ATOM 312 N ASP A 105 60.162 1.550 -7.091 1.00 0.58 N ATOM 313 CA ASP A 105 60.694 2.918 -7.362 1.00 0.52 C ATOM 314 C ASP A 105 59.808 3.637 -8.380 1.00 0.52 C ATOM 315 O ASP A 105 60.099 3.669 -9.559 1.00 0.60 O ATOM 316 CB ASP A 105 62.096 2.696 -7.930 1.00 0.60 C ATOM 317 CG ASP A 105 62.857 4.025 -7.947 1.00 0.51 C ATOM 318 OD1 ASP A 105 62.317 5.002 -7.453 1.00 0.48 O ATOM 319 OD2 ASP A 105 63.966 4.043 -8.454 1.00 0.54 O ATOM 0 H ASP A 105 60.679 0.788 -7.529 1.00 0.58 H new ATOM 0 HA ASP A 105 60.714 3.538 -6.466 1.00 0.52 H new ATOM 0 HB2 ASP A 105 62.633 1.965 -7.326 1.00 0.60 H new ATOM 0 HB3 ASP A 105 62.031 2.289 -8.939 1.00 0.60 H new ATOM 324 N LYS A 106 58.729 4.218 -7.933 1.00 0.51 N ATOM 325 CA LYS A 106 57.826 4.937 -8.875 1.00 0.60 C ATOM 326 C LYS A 106 58.599 6.033 -9.610 1.00 0.59 C ATOM 327 O LYS A 106 58.312 6.354 -10.746 1.00 0.70 O ATOM 328 CB LYS A 106 56.737 5.549 -7.993 1.00 0.63 C ATOM 329 CG LYS A 106 55.684 6.225 -8.874 1.00 1.39 C ATOM 330 CD LYS A 106 55.277 5.279 -10.007 1.00 1.58 C ATOM 331 CE LYS A 106 54.810 3.946 -9.417 1.00 2.00 C ATOM 332 NZ LYS A 106 53.473 4.234 -8.826 1.00 2.79 N ATOM 0 H LYS A 106 58.434 4.226 -6.957 1.00 0.51 H new ATOM 0 HA LYS A 106 57.410 4.276 -9.635 1.00 0.60 H new ATOM 0 HB2 LYS A 106 56.272 4.775 -7.382 1.00 0.63 H new ATOM 0 HB3 LYS A 106 57.175 6.276 -7.309 1.00 0.63 H new ATOM 0 HG2 LYS A 106 54.811 6.490 -8.277 1.00 1.39 H new ATOM 0 HG3 LYS A 106 56.081 7.152 -9.286 1.00 1.39 H new ATOM 0 HD2 LYS A 106 54.479 5.726 -10.599 1.00 1.58 H new ATOM 0 HD3 LYS A 106 56.119 5.116 -10.679 1.00 1.58 H new ATOM 0 HE2 LYS A 106 54.744 3.176 -10.185 1.00 2.00 H new ATOM 0 HE3 LYS A 106 55.506 3.583 -8.661 1.00 2.00 H new ATOM 0 HZ1 LYS A 106 53.065 3.356 -8.446 1.00 2.79 H new ATOM 0 HZ2 LYS A 106 53.575 4.929 -8.059 1.00 2.79 H new ATOM 0 HZ3 LYS A 106 52.845 4.619 -9.560 1.00 2.79 H new ATOM 346 N ASN A 107 59.580 6.613 -8.972 1.00 0.53 N ATOM 347 CA ASN A 107 60.368 7.688 -9.641 1.00 0.59 C ATOM 348 C ASN A 107 61.299 7.084 -10.697 1.00 0.60 C ATOM 349 O ASN A 107 61.660 7.729 -11.662 1.00 0.71 O ATOM 350 CB ASN A 107 61.174 8.341 -8.521 1.00 0.62 C ATOM 351 CG ASN A 107 62.225 9.276 -9.122 1.00 1.10 C ATOM 352 OD1 ASN A 107 63.246 9.532 -8.514 1.00 1.50 O ATOM 353 ND2 ASN A 107 62.016 9.805 -10.297 1.00 1.67 N ATOM 0 H ASN A 107 59.869 6.390 -8.020 1.00 0.53 H new ATOM 0 HA ASN A 107 59.732 8.408 -10.157 1.00 0.59 H new ATOM 0 HB2 ASN A 107 60.511 8.900 -7.860 1.00 0.62 H new ATOM 0 HB3 ASN A 107 61.658 7.576 -7.914 1.00 0.62 H new ATOM 0 HD21 ASN A 107 62.709 10.433 -10.704 1.00 1.67 H new ATOM 0 HD22 ASN A 107 61.160 9.591 -10.808 1.00 1.67 H new ATOM 360 N ALA A 108 61.685 5.848 -10.525 1.00 0.56 N ATOM 361 CA ALA A 108 62.589 5.196 -11.521 1.00 0.62 C ATOM 362 C ALA A 108 63.874 6.011 -11.697 1.00 0.64 C ATOM 363 O ALA A 108 64.170 6.496 -12.771 1.00 0.78 O ATOM 364 CB ALA A 108 61.788 5.172 -12.824 1.00 0.72 C ATOM 0 H ALA A 108 61.414 5.260 -9.737 1.00 0.56 H new ATOM 0 HA ALA A 108 62.892 4.198 -11.206 1.00 0.62 H new ATOM 0 HB1 ALA A 108 62.384 4.707 -13.609 1.00 0.72 H new ATOM 0 HB2 ALA A 108 60.872 4.600 -12.677 1.00 0.72 H new ATOM 0 HB3 ALA A 108 61.537 6.192 -13.115 1.00 0.72 H new ATOM 370 N ASP A 109 64.641 6.168 -10.651 1.00 0.57 N ATOM 371 CA ASP A 109 65.905 6.955 -10.768 1.00 0.63 C ATOM 372 C ASP A 109 67.064 6.258 -10.037 1.00 0.63 C ATOM 373 O ASP A 109 68.218 6.564 -10.260 1.00 0.76 O ATOM 374 CB ASP A 109 65.593 8.297 -10.106 1.00 0.62 C ATOM 375 CG ASP A 109 65.376 8.088 -8.607 1.00 0.70 C ATOM 376 OD1 ASP A 109 64.629 7.190 -8.256 1.00 0.75 O ATOM 377 OD2 ASP A 109 65.959 8.831 -7.834 1.00 1.20 O ATOM 0 H ASP A 109 64.449 5.788 -9.724 1.00 0.57 H new ATOM 0 HA ASP A 109 66.217 7.063 -11.807 1.00 0.63 H new ATOM 0 HB2 ASP A 109 66.413 8.996 -10.272 1.00 0.62 H new ATOM 0 HB3 ASP A 109 64.703 8.738 -10.555 1.00 0.62 H new ATOM 382 N GLY A 110 66.770 5.333 -9.163 1.00 0.58 N ATOM 383 CA GLY A 110 67.859 4.635 -8.421 1.00 0.62 C ATOM 384 C GLY A 110 67.550 4.691 -6.924 1.00 0.54 C ATOM 385 O GLY A 110 67.835 3.771 -6.183 1.00 0.57 O ATOM 0 H GLY A 110 65.824 5.031 -8.931 1.00 0.58 H new ATOM 0 HA2 GLY A 110 67.937 3.599 -8.752 1.00 0.62 H new ATOM 0 HA3 GLY A 110 68.819 5.109 -8.626 1.00 0.62 H new ATOM 389 N TYR A 111 66.957 5.765 -6.482 1.00 0.50 N ATOM 390 CA TYR A 111 66.610 5.894 -5.038 1.00 0.48 C ATOM 391 C TYR A 111 65.106 6.133 -4.892 1.00 0.42 C ATOM 392 O TYR A 111 64.397 6.273 -5.868 1.00 0.52 O ATOM 393 CB TYR A 111 67.396 7.110 -4.544 1.00 0.52 C ATOM 394 CG TYR A 111 68.822 7.020 -5.031 1.00 0.60 C ATOM 395 CD1 TYR A 111 69.150 7.454 -6.320 1.00 1.36 C ATOM 396 CD2 TYR A 111 69.815 6.503 -4.191 1.00 1.38 C ATOM 397 CE1 TYR A 111 70.473 7.370 -6.771 1.00 1.40 C ATOM 398 CE2 TYR A 111 71.138 6.419 -4.642 1.00 1.46 C ATOM 399 CZ TYR A 111 71.467 6.852 -5.932 1.00 0.83 C ATOM 400 OH TYR A 111 72.771 6.769 -6.377 1.00 0.97 O ATOM 0 H TYR A 111 66.696 6.563 -7.061 1.00 0.50 H new ATOM 0 HA TYR A 111 66.855 4.998 -4.468 1.00 0.48 H new ATOM 0 HB2 TYR A 111 66.934 8.028 -4.908 1.00 0.52 H new ATOM 0 HB3 TYR A 111 67.374 7.152 -3.455 1.00 0.52 H new ATOM 0 HD1 TYR A 111 68.383 7.854 -6.967 1.00 1.36 H new ATOM 0 HD2 TYR A 111 69.561 6.169 -3.196 1.00 1.38 H new ATOM 0 HE1 TYR A 111 70.727 7.705 -7.766 1.00 1.40 H new ATOM 0 HE2 TYR A 111 71.905 6.020 -3.994 1.00 1.46 H new ATOM 0 HH TYR A 111 73.334 6.388 -5.671 1.00 0.97 H new ATOM 410 N ILE A 112 64.613 6.185 -3.688 1.00 0.36 N ATOM 411 CA ILE A 112 63.154 6.420 -3.498 1.00 0.32 C ATOM 412 C ILE A 112 62.917 7.471 -2.417 1.00 0.35 C ATOM 413 O ILE A 112 63.442 7.389 -1.324 1.00 0.43 O ATOM 414 CB ILE A 112 62.581 5.080 -3.078 1.00 0.32 C ATOM 415 CG1 ILE A 112 63.053 4.033 -4.094 1.00 0.40 C ATOM 416 CG2 ILE A 112 61.049 5.185 -3.065 1.00 0.35 C ATOM 417 CD1 ILE A 112 61.969 2.985 -4.342 1.00 0.46 C ATOM 0 H ILE A 112 65.153 6.076 -2.830 1.00 0.36 H new ATOM 0 HA ILE A 112 62.681 6.793 -4.406 1.00 0.32 H new ATOM 0 HB ILE A 112 62.915 4.792 -2.081 1.00 0.32 H new ATOM 0 HG12 ILE A 112 63.312 4.523 -5.033 1.00 0.40 H new ATOM 0 HG13 ILE A 112 63.957 3.547 -3.728 1.00 0.40 H new ATOM 0 HG21 ILE A 112 60.621 4.228 -2.765 1.00 0.35 H new ATOM 0 HG22 ILE A 112 60.743 5.957 -2.359 1.00 0.35 H new ATOM 0 HG23 ILE A 112 60.694 5.444 -4.062 1.00 0.35 H new ATOM 0 HD11 ILE A 112 62.329 2.254 -5.066 1.00 0.46 H new ATOM 0 HD12 ILE A 112 61.729 2.481 -3.406 1.00 0.46 H new ATOM 0 HD13 ILE A 112 61.075 3.472 -4.731 1.00 0.46 H new ATOM 429 N ASP A 113 62.128 8.456 -2.721 1.00 0.36 N ATOM 430 CA ASP A 113 61.844 9.526 -1.719 1.00 0.44 C ATOM 431 C ASP A 113 60.566 9.199 -0.940 1.00 0.44 C ATOM 432 O ASP A 113 59.913 8.205 -1.190 1.00 0.60 O ATOM 433 CB ASP A 113 61.669 10.810 -2.533 1.00 0.56 C ATOM 434 CG ASP A 113 60.670 10.574 -3.667 1.00 0.94 C ATOM 435 OD1 ASP A 113 59.946 9.596 -3.598 1.00 1.58 O ATOM 436 OD2 ASP A 113 60.648 11.375 -4.587 1.00 1.53 O ATOM 0 H ASP A 113 61.663 8.572 -3.622 1.00 0.36 H new ATOM 0 HA ASP A 113 62.645 9.622 -0.986 1.00 0.44 H new ATOM 0 HB2 ASP A 113 61.317 11.615 -1.888 1.00 0.56 H new ATOM 0 HB3 ASP A 113 62.629 11.126 -2.942 1.00 0.56 H new ATOM 441 N LEU A 114 60.210 10.025 0.005 1.00 0.47 N ATOM 442 CA LEU A 114 58.978 9.762 0.808 1.00 0.47 C ATOM 443 C LEU A 114 57.746 9.704 -0.099 1.00 0.50 C ATOM 444 O LEU A 114 56.884 8.864 0.065 1.00 0.52 O ATOM 445 CB LEU A 114 58.877 10.945 1.771 1.00 0.57 C ATOM 446 CG LEU A 114 58.500 10.440 3.164 1.00 0.68 C ATOM 447 CD1 LEU A 114 58.354 11.628 4.116 1.00 1.36 C ATOM 448 CD2 LEU A 114 57.173 9.682 3.088 1.00 1.57 C ATOM 0 H LEU A 114 60.718 10.872 0.258 1.00 0.47 H new ATOM 0 HA LEU A 114 59.026 8.807 1.332 1.00 0.47 H new ATOM 0 HB2 LEU A 114 59.827 11.477 1.811 1.00 0.57 H new ATOM 0 HB3 LEU A 114 58.129 11.654 1.415 1.00 0.57 H new ATOM 0 HG LEU A 114 59.280 9.774 3.532 1.00 0.68 H new ATOM 0 HD11 LEU A 114 58.085 11.268 5.109 1.00 1.36 H new ATOM 0 HD12 LEU A 114 59.299 12.169 4.170 1.00 1.36 H new ATOM 0 HD13 LEU A 114 57.574 12.295 3.749 1.00 1.36 H new ATOM 0 HD21 LEU A 114 56.903 9.321 4.080 1.00 1.57 H new ATOM 0 HD22 LEU A 114 56.394 10.349 2.720 1.00 1.57 H new ATOM 0 HD23 LEU A 114 57.276 8.835 2.410 1.00 1.57 H new ATOM 460 N GLU A 115 57.654 10.591 -1.049 1.00 0.56 N ATOM 461 CA GLU A 115 56.473 10.588 -1.960 1.00 0.64 C ATOM 462 C GLU A 115 56.375 9.250 -2.701 1.00 0.56 C ATOM 463 O GLU A 115 55.314 8.850 -3.136 1.00 0.61 O ATOM 464 CB GLU A 115 56.729 11.730 -2.942 1.00 0.77 C ATOM 465 CG GLU A 115 56.777 13.055 -2.179 1.00 1.54 C ATOM 466 CD GLU A 115 55.440 13.783 -2.331 1.00 2.04 C ATOM 467 OE1 GLU A 115 54.843 13.668 -3.389 1.00 2.67 O ATOM 468 OE2 GLU A 115 55.036 14.442 -1.387 1.00 2.45 O ATOM 0 H GLU A 115 58.344 11.318 -1.235 1.00 0.56 H new ATOM 0 HA GLU A 115 55.535 10.717 -1.420 1.00 0.64 H new ATOM 0 HB2 GLU A 115 57.669 11.567 -3.469 1.00 0.77 H new ATOM 0 HB3 GLU A 115 55.942 11.760 -3.695 1.00 0.77 H new ATOM 0 HG2 GLU A 115 56.985 12.872 -1.125 1.00 1.54 H new ATOM 0 HG3 GLU A 115 57.587 13.677 -2.561 1.00 1.54 H new ATOM 475 N GLU A 116 57.471 8.560 -2.850 1.00 0.49 N ATOM 476 CA GLU A 116 57.435 7.251 -3.564 1.00 0.45 C ATOM 477 C GLU A 116 57.093 6.118 -2.590 1.00 0.43 C ATOM 478 O GLU A 116 56.303 5.247 -2.892 1.00 0.51 O ATOM 479 CB GLU A 116 58.844 7.064 -4.128 1.00 0.42 C ATOM 480 CG GLU A 116 59.024 7.959 -5.356 1.00 0.94 C ATOM 481 CD GLU A 116 60.511 8.047 -5.708 1.00 0.85 C ATOM 482 OE1 GLU A 116 61.130 7.005 -5.845 1.00 1.43 O ATOM 483 OE2 GLU A 116 61.005 9.156 -5.834 1.00 1.28 O ATOM 0 H GLU A 116 58.389 8.844 -2.509 1.00 0.49 H new ATOM 0 HA GLU A 116 56.676 7.234 -4.347 1.00 0.45 H new ATOM 0 HB2 GLU A 116 59.587 7.314 -3.370 1.00 0.42 H new ATOM 0 HB3 GLU A 116 59.004 6.020 -4.399 1.00 0.42 H new ATOM 0 HG2 GLU A 116 58.463 7.556 -6.199 1.00 0.94 H new ATOM 0 HG3 GLU A 116 58.627 8.954 -5.156 1.00 0.94 H new ATOM 490 N LEU A 117 57.683 6.123 -1.426 1.00 0.37 N ATOM 491 CA LEU A 117 57.393 5.046 -0.438 1.00 0.42 C ATOM 492 C LEU A 117 55.907 5.050 -0.081 1.00 0.50 C ATOM 493 O LEU A 117 55.271 4.016 -0.017 1.00 0.58 O ATOM 494 CB LEU A 117 58.240 5.392 0.787 1.00 0.43 C ATOM 495 CG LEU A 117 57.973 4.376 1.897 1.00 0.61 C ATOM 496 CD1 LEU A 117 59.038 3.278 1.853 1.00 0.90 C ATOM 497 CD2 LEU A 117 58.026 5.080 3.256 1.00 1.53 C ATOM 0 H LEU A 117 58.353 6.827 -1.117 1.00 0.37 H new ATOM 0 HA LEU A 117 57.626 4.054 -0.825 1.00 0.42 H new ATOM 0 HB2 LEU A 117 59.298 5.389 0.523 1.00 0.43 H new ATOM 0 HB3 LEU A 117 58.001 6.397 1.135 1.00 0.43 H new ATOM 0 HG LEU A 117 56.988 3.933 1.753 1.00 0.61 H new ATOM 0 HD11 LEU A 117 58.847 2.554 2.645 1.00 0.90 H new ATOM 0 HD12 LEU A 117 59.003 2.776 0.886 1.00 0.90 H new ATOM 0 HD13 LEU A 117 60.023 3.721 1.997 1.00 0.90 H new ATOM 0 HD21 LEU A 117 57.836 4.356 4.048 1.00 1.53 H new ATOM 0 HD22 LEU A 117 59.012 5.523 3.398 1.00 1.53 H new ATOM 0 HD23 LEU A 117 57.268 5.863 3.290 1.00 1.53 H new ATOM 509 N LYS A 118 55.348 6.204 0.151 1.00 0.52 N ATOM 510 CA LYS A 118 53.903 6.268 0.502 1.00 0.63 C ATOM 511 C LYS A 118 53.087 5.460 -0.510 1.00 0.71 C ATOM 512 O LYS A 118 51.996 5.006 -0.223 1.00 0.83 O ATOM 513 CB LYS A 118 53.537 7.751 0.427 1.00 0.68 C ATOM 514 CG LYS A 118 53.796 8.270 -0.989 1.00 1.05 C ATOM 515 CD LYS A 118 53.109 9.623 -1.171 1.00 1.33 C ATOM 516 CE LYS A 118 53.610 10.600 -0.105 1.00 1.49 C ATOM 517 NZ LYS A 118 52.596 10.542 0.986 1.00 1.82 N ATOM 0 H LYS A 118 55.828 7.103 0.113 1.00 0.52 H new ATOM 0 HA LYS A 118 53.696 5.852 1.488 1.00 0.63 H new ATOM 0 HB2 LYS A 118 52.489 7.892 0.691 1.00 0.68 H new ATOM 0 HB3 LYS A 118 54.126 8.319 1.147 1.00 0.68 H new ATOM 0 HG2 LYS A 118 54.868 8.369 -1.161 1.00 1.05 H new ATOM 0 HG3 LYS A 118 53.420 7.558 -1.723 1.00 1.05 H new ATOM 0 HD2 LYS A 118 53.316 10.017 -2.166 1.00 1.33 H new ATOM 0 HD3 LYS A 118 52.028 9.507 -1.093 1.00 1.33 H new ATOM 0 HE2 LYS A 118 54.597 10.314 0.259 1.00 1.49 H new ATOM 0 HE3 LYS A 118 53.699 11.609 -0.507 1.00 1.49 H new ATOM 0 HZ1 LYS A 118 52.255 11.502 1.195 1.00 1.82 H new ATOM 0 HZ2 LYS A 118 51.796 9.949 0.686 1.00 1.82 H new ATOM 0 HZ3 LYS A 118 53.028 10.134 1.840 1.00 1.82 H new ATOM 531 N ILE A 119 53.611 5.278 -1.689 1.00 0.72 N ATOM 532 CA ILE A 119 52.874 4.498 -2.724 1.00 0.84 C ATOM 533 C ILE A 119 53.143 3.003 -2.540 1.00 0.86 C ATOM 534 O ILE A 119 52.234 2.198 -2.530 1.00 0.96 O ATOM 535 CB ILE A 119 53.437 4.986 -4.057 1.00 0.93 C ATOM 536 CG1 ILE A 119 52.924 6.401 -4.333 1.00 1.00 C ATOM 537 CG2 ILE A 119 52.980 4.051 -5.179 1.00 1.06 C ATOM 538 CD1 ILE A 119 53.446 6.876 -5.689 1.00 1.08 C ATOM 0 H ILE A 119 54.520 5.636 -1.982 1.00 0.72 H new ATOM 0 HA ILE A 119 51.795 4.638 -2.663 1.00 0.84 H new ATOM 0 HB ILE A 119 54.526 4.992 -4.013 1.00 0.93 H new ATOM 0 HG12 ILE A 119 51.834 6.412 -4.327 1.00 1.00 H new ATOM 0 HG13 ILE A 119 53.254 7.079 -3.546 1.00 1.00 H new ATOM 0 HG21 ILE A 119 53.382 4.400 -6.130 1.00 1.06 H new ATOM 0 HG22 ILE A 119 53.341 3.042 -4.981 1.00 1.06 H new ATOM 0 HG23 ILE A 119 51.891 4.044 -5.226 1.00 1.06 H new ATOM 0 HD11 ILE A 119 53.081 7.884 -5.887 1.00 1.08 H new ATOM 0 HD12 ILE A 119 54.536 6.880 -5.678 1.00 1.08 H new ATOM 0 HD13 ILE A 119 53.094 6.203 -6.471 1.00 1.08 H new ATOM 550 N MET A 120 54.383 2.628 -2.391 1.00 0.82 N ATOM 551 CA MET A 120 54.711 1.185 -2.202 1.00 0.92 C ATOM 552 C MET A 120 53.799 0.578 -1.132 1.00 0.92 C ATOM 553 O MET A 120 53.112 -0.395 -1.367 1.00 1.01 O ATOM 554 CB MET A 120 56.169 1.172 -1.740 1.00 0.96 C ATOM 555 CG MET A 120 56.516 -0.200 -1.159 1.00 1.50 C ATOM 556 SD MET A 120 57.098 -0.006 0.543 1.00 2.13 S ATOM 557 CE MET A 120 58.837 -0.399 0.233 1.00 2.73 C ATOM 0 H MET A 120 55.185 3.258 -2.392 1.00 0.82 H new ATOM 0 HA MET A 120 54.568 0.600 -3.111 1.00 0.92 H new ATOM 0 HB2 MET A 120 56.828 1.399 -2.578 1.00 0.96 H new ATOM 0 HB3 MET A 120 56.329 1.946 -0.990 1.00 0.96 H new ATOM 0 HG2 MET A 120 55.640 -0.849 -1.183 1.00 1.50 H new ATOM 0 HG3 MET A 120 57.285 -0.679 -1.765 1.00 1.50 H new ATOM 0 HE1 MET A 120 59.326 -0.653 1.174 1.00 2.73 H new ATOM 0 HE2 MET A 120 58.902 -1.246 -0.450 1.00 2.73 H new ATOM 0 HE3 MET A 120 59.332 0.465 -0.211 1.00 2.73 H new ATOM 567 N LEU A 121 53.792 1.148 0.040 1.00 0.88 N ATOM 568 CA LEU A 121 52.925 0.609 1.127 1.00 0.96 C ATOM 569 C LEU A 121 51.484 0.488 0.635 1.00 0.99 C ATOM 570 O LEU A 121 50.796 -0.468 0.929 1.00 1.12 O ATOM 571 CB LEU A 121 53.004 1.640 2.245 1.00 0.98 C ATOM 572 CG LEU A 121 54.450 1.773 2.730 1.00 1.19 C ATOM 573 CD1 LEU A 121 54.535 2.877 3.785 1.00 1.51 C ATOM 574 CD2 LEU A 121 54.904 0.448 3.345 1.00 1.81 C ATOM 0 H LEU A 121 54.349 1.964 0.293 1.00 0.88 H new ATOM 0 HA LEU A 121 53.245 -0.380 1.454 1.00 0.96 H new ATOM 0 HB2 LEU A 121 52.641 2.604 1.889 1.00 0.98 H new ATOM 0 HB3 LEU A 121 52.360 1.342 3.072 1.00 0.98 H new ATOM 0 HG LEU A 121 55.094 2.024 1.887 1.00 1.19 H new ATOM 0 HD11 LEU A 121 55.564 2.972 4.130 1.00 1.51 H new ATOM 0 HD12 LEU A 121 54.210 3.822 3.350 1.00 1.51 H new ATOM 0 HD13 LEU A 121 53.891 2.625 4.628 1.00 1.51 H new ATOM 0 HD21 LEU A 121 55.933 0.541 3.691 1.00 1.81 H new ATOM 0 HD22 LEU A 121 54.259 0.198 4.188 1.00 1.81 H new ATOM 0 HD23 LEU A 121 54.843 -0.341 2.595 1.00 1.81 H new ATOM 586 N GLN A 122 51.021 1.454 -0.111 1.00 0.95 N ATOM 587 CA GLN A 122 49.625 1.386 -0.623 1.00 1.05 C ATOM 588 C GLN A 122 49.474 0.154 -1.508 1.00 1.12 C ATOM 589 O GLN A 122 48.446 -0.494 -1.524 1.00 1.24 O ATOM 590 CB GLN A 122 49.431 2.668 -1.434 1.00 1.07 C ATOM 591 CG GLN A 122 48.422 3.564 -0.719 1.00 1.49 C ATOM 592 CD GLN A 122 48.169 4.824 -1.550 1.00 1.51 C ATOM 593 OE1 GLN A 122 47.037 5.151 -1.848 1.00 2.24 O ATOM 594 NE2 GLN A 122 49.181 5.550 -1.938 1.00 1.52 N ATOM 0 H GLN A 122 51.547 2.283 -0.386 1.00 0.95 H new ATOM 0 HA GLN A 122 48.885 1.307 0.174 1.00 1.05 H new ATOM 0 HB2 GLN A 122 50.382 3.189 -1.548 1.00 1.07 H new ATOM 0 HB3 GLN A 122 49.077 2.429 -2.437 1.00 1.07 H new ATOM 0 HG2 GLN A 122 47.487 3.025 -0.565 1.00 1.49 H new ATOM 0 HG3 GLN A 122 48.798 3.837 0.267 1.00 1.49 H new ATOM 0 HE21 GLN A 122 50.131 5.276 -1.688 1.00 1.52 H new ATOM 0 HE22 GLN A 122 49.022 6.392 -2.491 1.00 1.52 H new ATOM 603 N ALA A 123 50.503 -0.187 -2.231 1.00 1.11 N ATOM 604 CA ALA A 123 50.435 -1.390 -3.101 1.00 1.26 C ATOM 605 C ALA A 123 50.394 -2.638 -2.220 1.00 1.39 C ATOM 606 O ALA A 123 49.933 -3.687 -2.627 1.00 1.55 O ATOM 607 CB ALA A 123 51.719 -1.357 -3.932 1.00 1.31 C ATOM 0 H ALA A 123 51.389 0.317 -2.256 1.00 1.11 H new ATOM 0 HA ALA A 123 49.551 -1.405 -3.738 1.00 1.26 H new ATOM 0 HB1 ALA A 123 51.741 -2.217 -4.601 1.00 1.31 H new ATOM 0 HB2 ALA A 123 51.749 -0.439 -4.519 1.00 1.31 H new ATOM 0 HB3 ALA A 123 52.583 -1.391 -3.268 1.00 1.31 H new ATOM 682 N THR A 129 47.305 7.064 6.676 1.00 1.18 N ATOM 683 CA THR A 129 47.447 8.547 6.631 1.00 1.21 C ATOM 684 C THR A 129 48.902 8.932 6.352 1.00 1.10 C ATOM 685 O THR A 129 49.820 8.202 6.671 1.00 1.04 O ATOM 686 CB THR A 129 47.023 9.028 8.020 1.00 1.37 C ATOM 687 OG1 THR A 129 47.473 8.100 8.996 1.00 1.63 O ATOM 688 CG2 THR A 129 45.499 9.137 8.082 1.00 1.63 C ATOM 0 HA THR A 129 46.843 8.995 5.842 1.00 1.21 H new ATOM 0 HB THR A 129 47.462 10.006 8.216 1.00 1.37 H new ATOM 0 HG1 THR A 129 47.358 7.188 8.658 1.00 1.63 H new ATOM 0 HG21 THR A 129 45.199 9.480 9.072 1.00 1.63 H new ATOM 0 HG22 THR A 129 45.154 9.849 7.332 1.00 1.63 H new ATOM 0 HG23 THR A 129 45.056 8.160 7.886 1.00 1.63 H new ATOM 696 N GLU A 130 49.122 10.073 5.759 1.00 1.13 N ATOM 697 CA GLU A 130 50.518 10.502 5.461 1.00 1.09 C ATOM 698 C GLU A 130 51.329 10.594 6.757 1.00 1.03 C ATOM 699 O GLU A 130 52.543 10.546 6.745 1.00 0.98 O ATOM 700 CB GLU A 130 50.380 11.882 4.817 1.00 1.23 C ATOM 701 CG GLU A 130 51.769 12.457 4.537 1.00 1.68 C ATOM 702 CD GLU A 130 51.787 13.946 4.886 1.00 2.20 C ATOM 703 OE1 GLU A 130 51.573 14.266 6.044 1.00 2.77 O ATOM 704 OE2 GLU A 130 52.012 14.743 3.989 1.00 2.66 O ATOM 0 H GLU A 130 48.395 10.727 5.468 1.00 1.13 H new ATOM 0 HA GLU A 130 51.036 9.799 4.809 1.00 1.09 H new ATOM 0 HB2 GLU A 130 49.812 11.807 3.889 1.00 1.23 H new ATOM 0 HB3 GLU A 130 49.825 12.549 5.477 1.00 1.23 H new ATOM 0 HG2 GLU A 130 52.519 11.926 5.124 1.00 1.68 H new ATOM 0 HG3 GLU A 130 52.027 12.316 3.488 1.00 1.68 H new ATOM 711 N ASP A 131 50.667 10.726 7.873 1.00 1.08 N ATOM 712 CA ASP A 131 51.399 10.820 9.169 1.00 1.10 C ATOM 713 C ASP A 131 52.056 9.480 9.507 1.00 0.95 C ATOM 714 O ASP A 131 53.122 9.430 10.089 1.00 0.88 O ATOM 715 CB ASP A 131 50.329 11.170 10.203 1.00 1.27 C ATOM 716 CG ASP A 131 49.887 12.621 10.011 1.00 1.65 C ATOM 717 OD1 ASP A 131 50.469 13.292 9.175 1.00 2.09 O ATOM 718 OD2 ASP A 131 48.972 13.038 10.703 1.00 2.28 O ATOM 0 H ASP A 131 49.651 10.773 7.944 1.00 1.08 H new ATOM 0 HA ASP A 131 52.196 11.563 9.139 1.00 1.10 H new ATOM 0 HB2 ASP A 131 49.474 10.502 10.098 1.00 1.27 H new ATOM 0 HB3 ASP A 131 50.722 11.029 11.210 1.00 1.27 H new ATOM 723 N ASP A 132 51.429 8.392 9.149 1.00 0.96 N ATOM 724 CA ASP A 132 52.019 7.056 9.452 1.00 0.88 C ATOM 725 C ASP A 132 53.149 6.739 8.468 1.00 0.76 C ATOM 726 O ASP A 132 54.040 5.966 8.759 1.00 0.72 O ATOM 727 CB ASP A 132 50.866 6.066 9.282 1.00 0.99 C ATOM 728 CG ASP A 132 49.970 6.108 10.521 1.00 1.31 C ATOM 729 OD1 ASP A 132 50.467 6.468 11.577 1.00 1.95 O ATOM 730 OD2 ASP A 132 48.802 5.779 10.395 1.00 1.70 O ATOM 0 H ASP A 132 50.534 8.370 8.660 1.00 0.96 H new ATOM 0 HA ASP A 132 52.450 7.013 10.452 1.00 0.88 H new ATOM 0 HB2 ASP A 132 50.287 6.315 8.393 1.00 0.99 H new ATOM 0 HB3 ASP A 132 51.256 5.059 9.136 1.00 0.99 H new ATOM 735 N ILE A 133 53.118 7.329 7.305 1.00 0.78 N ATOM 736 CA ILE A 133 54.189 7.062 6.302 1.00 0.73 C ATOM 737 C ILE A 133 55.361 8.024 6.510 1.00 0.66 C ATOM 738 O ILE A 133 56.484 7.739 6.143 1.00 0.63 O ATOM 739 CB ILE A 133 53.531 7.305 4.944 1.00 0.84 C ATOM 740 CG1 ILE A 133 52.452 6.248 4.704 1.00 0.91 C ATOM 741 CG2 ILE A 133 54.587 7.216 3.840 1.00 1.14 C ATOM 742 CD1 ILE A 133 51.659 6.606 3.444 1.00 0.96 C ATOM 0 H ILE A 133 52.397 7.985 7.005 1.00 0.78 H new ATOM 0 HA ILE A 133 54.589 6.052 6.386 1.00 0.73 H new ATOM 0 HB ILE A 133 53.078 8.296 4.933 1.00 0.84 H new ATOM 0 HG12 ILE A 133 52.909 5.265 4.592 1.00 0.91 H new ATOM 0 HG13 ILE A 133 51.784 6.193 5.564 1.00 0.91 H new ATOM 0 HG21 ILE A 133 54.117 7.389 2.872 1.00 1.14 H new ATOM 0 HG22 ILE A 133 55.356 7.970 4.010 1.00 1.14 H new ATOM 0 HG23 ILE A 133 55.042 6.225 3.850 1.00 1.14 H new ATOM 0 HD11 ILE A 133 50.890 5.853 3.272 1.00 0.96 H new ATOM 0 HD12 ILE A 133 51.190 7.581 3.574 1.00 0.96 H new ATOM 0 HD13 ILE A 133 52.332 6.639 2.587 1.00 0.96 H new ATOM 754 N GLU A 134 55.109 9.164 7.093 1.00 0.73 N ATOM 755 CA GLU A 134 56.210 10.144 7.321 1.00 0.77 C ATOM 756 C GLU A 134 57.112 9.672 8.464 1.00 0.70 C ATOM 757 O GLU A 134 58.304 9.904 8.463 1.00 0.68 O ATOM 758 CB GLU A 134 55.507 11.449 7.696 1.00 0.96 C ATOM 759 CG GLU A 134 54.693 11.951 6.503 1.00 0.95 C ATOM 760 CD GLU A 134 55.437 13.104 5.826 1.00 1.60 C ATOM 761 OE1 GLU A 134 56.649 13.156 5.954 1.00 2.07 O ATOM 762 OE2 GLU A 134 54.782 13.916 5.193 1.00 2.27 O ATOM 0 H GLU A 134 54.190 9.459 7.421 1.00 0.73 H new ATOM 0 HA GLU A 134 56.846 10.261 6.444 1.00 0.77 H new ATOM 0 HB2 GLU A 134 54.854 11.289 8.554 1.00 0.96 H new ATOM 0 HB3 GLU A 134 56.242 12.199 7.990 1.00 0.96 H new ATOM 0 HG2 GLU A 134 54.532 11.141 5.792 1.00 0.95 H new ATOM 0 HG3 GLU A 134 53.709 12.284 6.835 1.00 0.95 H new ATOM 769 N GLU A 135 56.552 9.015 9.442 1.00 0.74 N ATOM 770 CA GLU A 135 57.380 8.532 10.585 1.00 0.76 C ATOM 771 C GLU A 135 58.128 7.254 10.195 1.00 0.66 C ATOM 772 O GLU A 135 59.084 6.863 10.835 1.00 0.74 O ATOM 773 CB GLU A 135 56.381 8.248 11.707 1.00 0.88 C ATOM 774 CG GLU A 135 55.436 7.124 11.277 1.00 1.20 C ATOM 775 CD GLU A 135 56.034 5.775 11.681 1.00 1.48 C ATOM 776 OE1 GLU A 135 55.932 5.428 12.846 1.00 1.95 O ATOM 777 OE2 GLU A 135 56.584 5.112 10.816 1.00 2.16 O ATOM 0 H GLU A 135 55.558 8.792 9.500 1.00 0.74 H new ATOM 0 HA GLU A 135 58.133 9.261 10.885 1.00 0.76 H new ATOM 0 HB2 GLU A 135 56.911 7.964 12.617 1.00 0.88 H new ATOM 0 HB3 GLU A 135 55.811 9.148 11.938 1.00 0.88 H new ATOM 0 HG2 GLU A 135 54.460 7.256 11.744 1.00 1.20 H new ATOM 0 HG3 GLU A 135 55.281 7.157 10.199 1.00 1.20 H new ATOM 784 N LEU A 136 57.702 6.599 9.148 1.00 0.62 N ATOM 785 CA LEU A 136 58.392 5.347 8.722 1.00 0.66 C ATOM 786 C LEU A 136 59.660 5.684 7.934 1.00 0.61 C ATOM 787 O LEU A 136 60.731 5.188 8.222 1.00 0.70 O ATOM 788 CB LEU A 136 57.384 4.623 7.830 1.00 0.77 C ATOM 789 CG LEU A 136 57.598 3.113 7.943 1.00 0.86 C ATOM 790 CD1 LEU A 136 56.740 2.395 6.899 1.00 1.63 C ATOM 791 CD2 LEU A 136 59.073 2.788 7.699 1.00 1.38 C ATOM 0 H LEU A 136 56.908 6.876 8.571 1.00 0.62 H new ATOM 0 HA LEU A 136 58.698 4.735 9.571 1.00 0.66 H new ATOM 0 HB2 LEU A 136 56.368 4.881 8.128 1.00 0.77 H new ATOM 0 HB3 LEU A 136 57.503 4.942 6.795 1.00 0.77 H new ATOM 0 HG LEU A 136 57.311 2.780 8.940 1.00 0.86 H new ATOM 0 HD11 LEU A 136 56.893 1.319 6.980 1.00 1.63 H new ATOM 0 HD12 LEU A 136 55.689 2.626 7.071 1.00 1.63 H new ATOM 0 HD13 LEU A 136 57.026 2.728 5.901 1.00 1.63 H new ATOM 0 HD21 LEU A 136 59.227 1.712 7.779 1.00 1.38 H new ATOM 0 HD22 LEU A 136 59.359 3.122 6.702 1.00 1.38 H new ATOM 0 HD23 LEU A 136 59.686 3.298 8.442 1.00 1.38 H new ATOM 803 N MET A 137 59.549 6.524 6.942 1.00 0.55 N ATOM 804 CA MET A 137 60.748 6.892 6.138 1.00 0.59 C ATOM 805 C MET A 137 61.861 7.404 7.058 1.00 0.65 C ATOM 806 O MET A 137 63.029 7.166 6.826 1.00 0.81 O ATOM 807 CB MET A 137 60.263 7.998 5.199 1.00 0.60 C ATOM 808 CG MET A 137 61.463 8.776 4.654 1.00 0.96 C ATOM 809 SD MET A 137 62.676 7.617 3.973 1.00 1.23 S ATOM 810 CE MET A 137 61.906 7.411 2.348 1.00 1.35 C ATOM 0 H MET A 137 58.679 6.972 6.653 1.00 0.55 H new ATOM 0 HA MET A 137 61.161 6.046 5.588 1.00 0.59 H new ATOM 0 HB2 MET A 137 59.694 7.566 4.376 1.00 0.60 H new ATOM 0 HB3 MET A 137 59.592 8.672 5.732 1.00 0.60 H new ATOM 0 HG2 MET A 137 61.137 9.473 3.882 1.00 0.96 H new ATOM 0 HG3 MET A 137 61.917 9.369 5.448 1.00 0.96 H new ATOM 0 HE1 MET A 137 62.677 7.220 1.602 1.00 1.35 H new ATOM 0 HE2 MET A 137 61.213 6.570 2.378 1.00 1.35 H new ATOM 0 HE3 MET A 137 61.363 8.319 2.085 1.00 1.35 H new ATOM 820 N LYS A 138 61.506 8.104 8.101 1.00 0.62 N ATOM 821 CA LYS A 138 62.545 8.629 9.033 1.00 0.79 C ATOM 822 C LYS A 138 63.468 7.496 9.485 1.00 0.86 C ATOM 823 O LYS A 138 64.675 7.640 9.522 1.00 1.16 O ATOM 824 CB LYS A 138 61.763 9.187 10.222 1.00 0.87 C ATOM 825 CG LYS A 138 61.925 10.708 10.275 1.00 1.55 C ATOM 826 CD LYS A 138 60.943 11.290 11.294 1.00 2.07 C ATOM 827 CE LYS A 138 60.456 12.658 10.811 1.00 2.85 C ATOM 828 NZ LYS A 138 61.210 13.646 11.631 1.00 3.36 N ATOM 0 H LYS A 138 60.544 8.335 8.348 1.00 0.62 H new ATOM 0 HA LYS A 138 63.175 9.386 8.566 1.00 0.79 H new ATOM 0 HB2 LYS A 138 60.709 8.926 10.131 1.00 0.87 H new ATOM 0 HB3 LYS A 138 62.123 8.740 11.149 1.00 0.87 H new ATOM 0 HG2 LYS A 138 62.947 10.966 10.551 1.00 1.55 H new ATOM 0 HG3 LYS A 138 61.742 11.139 9.291 1.00 1.55 H new ATOM 0 HD2 LYS A 138 60.096 10.616 11.425 1.00 2.07 H new ATOM 0 HD3 LYS A 138 61.426 11.387 12.266 1.00 2.07 H new ATOM 0 HE2 LYS A 138 60.654 12.795 9.748 1.00 2.85 H new ATOM 0 HE3 LYS A 138 59.381 12.767 10.952 1.00 2.85 H new ATOM 0 HZ1 LYS A 138 60.930 14.610 11.358 1.00 3.36 H new ATOM 0 HZ2 LYS A 138 60.997 13.496 12.638 1.00 3.36 H new ATOM 0 HZ3 LYS A 138 62.230 13.523 11.471 1.00 3.36 H new ATOM 842 N ASP A 139 62.909 6.368 9.831 1.00 0.71 N ATOM 843 CA ASP A 139 63.752 5.224 10.283 1.00 0.85 C ATOM 844 C ASP A 139 64.164 4.365 9.085 1.00 0.85 C ATOM 845 O ASP A 139 65.022 3.511 9.187 1.00 1.02 O ATOM 846 CB ASP A 139 62.858 4.427 11.233 1.00 0.97 C ATOM 847 CG ASP A 139 62.517 5.283 12.455 1.00 1.50 C ATOM 848 OD1 ASP A 139 62.015 6.378 12.263 1.00 1.80 O ATOM 849 OD2 ASP A 139 62.763 4.829 13.559 1.00 2.33 O ATOM 0 H ASP A 139 61.905 6.189 9.820 1.00 0.71 H new ATOM 0 HA ASP A 139 64.671 5.553 10.768 1.00 0.85 H new ATOM 0 HB2 ASP A 139 61.944 4.125 10.721 1.00 0.97 H new ATOM 0 HB3 ASP A 139 63.365 3.514 11.546 1.00 0.97 H new ATOM 854 N GLY A 140 63.560 4.584 7.949 1.00 0.81 N ATOM 855 CA GLY A 140 63.920 3.779 6.748 1.00 0.86 C ATOM 856 C GLY A 140 65.133 4.403 6.055 1.00 0.77 C ATOM 857 O GLY A 140 65.547 3.972 4.998 1.00 0.86 O ATOM 0 H GLY A 140 62.834 5.285 7.801 1.00 0.81 H new ATOM 0 HA2 GLY A 140 64.143 2.753 7.040 1.00 0.86 H new ATOM 0 HA3 GLY A 140 63.076 3.738 6.059 1.00 0.86 H new ATOM 861 N ASP A 141 65.709 5.417 6.643 1.00 0.70 N ATOM 862 CA ASP A 141 66.896 6.067 6.017 1.00 0.66 C ATOM 863 C ASP A 141 68.172 5.672 6.766 1.00 0.74 C ATOM 864 O ASP A 141 68.490 6.220 7.802 1.00 0.87 O ATOM 865 CB ASP A 141 66.639 7.570 6.149 1.00 0.66 C ATOM 866 CG ASP A 141 66.826 8.242 4.789 1.00 0.76 C ATOM 867 OD1 ASP A 141 67.743 7.859 4.080 1.00 0.92 O ATOM 868 OD2 ASP A 141 66.049 9.130 4.477 1.00 0.83 O ATOM 0 H ASP A 141 65.409 5.823 7.529 1.00 0.70 H new ATOM 0 HA ASP A 141 67.032 5.766 4.978 1.00 0.66 H new ATOM 0 HB2 ASP A 141 65.628 7.746 6.517 1.00 0.66 H new ATOM 0 HB3 ASP A 141 67.324 8.004 6.878 1.00 0.66 H new ATOM 873 N LYS A 142 68.904 4.723 6.249 1.00 0.75 N ATOM 874 CA LYS A 142 70.158 4.294 6.933 1.00 0.87 C ATOM 875 C LYS A 142 71.191 5.423 6.906 1.00 0.89 C ATOM 876 O LYS A 142 72.216 5.354 7.554 1.00 1.05 O ATOM 877 CB LYS A 142 70.659 3.092 6.129 1.00 0.89 C ATOM 878 CG LYS A 142 70.743 1.866 7.041 1.00 1.24 C ATOM 879 CD LYS A 142 72.089 1.168 6.835 1.00 1.26 C ATOM 880 CE LYS A 142 72.256 0.062 7.879 1.00 1.55 C ATOM 881 NZ LYS A 142 71.915 -1.198 7.163 1.00 1.99 N ATOM 0 H LYS A 142 68.689 4.227 5.384 1.00 0.75 H new ATOM 0 HA LYS A 142 69.989 4.043 7.980 1.00 0.87 H new ATOM 0 HB2 LYS A 142 69.986 2.893 5.295 1.00 0.89 H new ATOM 0 HB3 LYS A 142 71.638 3.309 5.703 1.00 0.89 H new ATOM 0 HG2 LYS A 142 70.633 2.166 8.083 1.00 1.24 H new ATOM 0 HG3 LYS A 142 69.927 1.178 6.820 1.00 1.24 H new ATOM 0 HD2 LYS A 142 72.142 0.746 5.831 1.00 1.26 H new ATOM 0 HD3 LYS A 142 72.902 1.889 6.921 1.00 1.26 H new ATOM 0 HE2 LYS A 142 73.275 0.034 8.264 1.00 1.55 H new ATOM 0 HE3 LYS A 142 71.597 0.222 8.732 1.00 1.55 H new ATOM 0 HZ1 LYS A 142 72.006 -2.003 7.815 1.00 1.99 H new ATOM 0 HZ2 LYS A 142 70.937 -1.145 6.813 1.00 1.99 H new ATOM 0 HZ3 LYS A 142 72.563 -1.327 6.360 1.00 1.99 H new ATOM 895 N ASN A 143 70.931 6.463 6.161 1.00 0.85 N ATOM 896 CA ASN A 143 71.902 7.593 6.096 1.00 1.05 C ATOM 897 C ASN A 143 71.172 8.931 6.243 1.00 1.07 C ATOM 898 O ASN A 143 71.760 9.987 6.115 1.00 1.56 O ATOM 899 CB ASN A 143 72.548 7.483 4.714 1.00 1.08 C ATOM 900 CG ASN A 143 71.523 7.849 3.639 1.00 1.05 C ATOM 901 OD1 ASN A 143 70.354 8.014 3.927 1.00 0.98 O ATOM 902 ND2 ASN A 143 71.914 7.985 2.400 1.00 1.48 N ATOM 0 H ASN A 143 70.090 6.579 5.596 1.00 0.85 H new ATOM 0 HA ASN A 143 72.641 7.547 6.896 1.00 1.05 H new ATOM 0 HB2 ASN A 143 73.410 8.147 4.650 1.00 1.08 H new ATOM 0 HB3 ASN A 143 72.914 6.469 4.552 1.00 1.08 H new ATOM 0 HD21 ASN A 143 71.238 8.229 1.676 1.00 1.48 H new ATOM 0 HD22 ASN A 143 72.895 7.847 2.157 1.00 1.48 H new ATOM 909 N ASN A 144 69.897 8.895 6.514 1.00 0.78 N ATOM 910 CA ASN A 144 69.133 10.166 6.671 1.00 0.82 C ATOM 911 C ASN A 144 69.467 11.133 5.531 1.00 0.82 C ATOM 912 O ASN A 144 70.181 12.099 5.714 1.00 0.92 O ATOM 913 CB ASN A 144 69.594 10.741 8.011 1.00 0.95 C ATOM 914 CG ASN A 144 69.280 9.745 9.130 1.00 1.47 C ATOM 915 OD1 ASN A 144 70.173 9.266 9.800 1.00 2.28 O ATOM 916 ND2 ASN A 144 68.040 9.412 9.363 1.00 1.93 N ATOM 0 H ASN A 144 69.351 8.042 6.634 1.00 0.78 H new ATOM 0 HA ASN A 144 68.055 10.004 6.643 1.00 0.82 H new ATOM 0 HB2 ASN A 144 70.664 10.946 7.982 1.00 0.95 H new ATOM 0 HB3 ASN A 144 69.093 11.690 8.203 1.00 0.95 H new ATOM 0 HD21 ASN A 144 67.821 8.750 10.107 1.00 1.93 H new ATOM 0 HD22 ASN A 144 67.290 9.814 8.801 1.00 1.93 H new ATOM 923 N ASP A 145 68.956 10.882 4.358 1.00 0.75 N ATOM 924 CA ASP A 145 69.244 11.790 3.209 1.00 0.78 C ATOM 925 C ASP A 145 67.952 12.126 2.462 1.00 0.74 C ATOM 926 O ASP A 145 67.961 12.836 1.475 1.00 0.81 O ATOM 927 CB ASP A 145 70.195 11.001 2.308 1.00 0.76 C ATOM 928 CG ASP A 145 69.428 9.870 1.623 1.00 1.12 C ATOM 929 OD1 ASP A 145 68.767 9.120 2.324 1.00 1.72 O ATOM 930 OD2 ASP A 145 69.514 9.770 0.411 1.00 1.85 O ATOM 0 H ASP A 145 68.352 10.089 4.144 1.00 0.75 H new ATOM 0 HA ASP A 145 69.679 12.736 3.531 1.00 0.78 H new ATOM 0 HB2 ASP A 145 70.636 11.661 1.560 1.00 0.76 H new ATOM 0 HB3 ASP A 145 71.016 10.593 2.897 1.00 0.76 H new ATOM 935 N GLY A 146 66.840 11.622 2.922 1.00 0.69 N ATOM 936 CA GLY A 146 65.549 11.913 2.237 1.00 0.70 C ATOM 937 C GLY A 146 65.287 10.851 1.167 1.00 0.58 C ATOM 938 O GLY A 146 64.160 10.598 0.793 1.00 0.62 O ATOM 0 H GLY A 146 66.770 11.021 3.743 1.00 0.69 H new ATOM 0 HA2 GLY A 146 64.735 11.923 2.962 1.00 0.70 H new ATOM 0 HA3 GLY A 146 65.582 12.903 1.782 1.00 0.70 H new ATOM 942 N ARG A 147 66.321 10.230 0.669 1.00 0.54 N ATOM 943 CA ARG A 147 66.129 9.185 -0.378 1.00 0.49 C ATOM 944 C ARG A 147 66.630 7.829 0.124 1.00 0.44 C ATOM 945 O ARG A 147 67.331 7.739 1.112 1.00 0.56 O ATOM 946 CB ARG A 147 66.968 9.652 -1.569 1.00 0.57 C ATOM 947 CG ARG A 147 66.207 10.731 -2.346 1.00 0.78 C ATOM 948 CD ARG A 147 67.202 11.590 -3.131 1.00 0.73 C ATOM 949 NE ARG A 147 66.665 11.634 -4.519 1.00 1.07 N ATOM 950 CZ ARG A 147 67.227 12.401 -5.413 1.00 1.60 C ATOM 951 NH1 ARG A 147 68.495 12.261 -5.689 1.00 2.22 N ATOM 952 NH2 ARG A 147 66.522 13.310 -6.031 1.00 2.32 N ATOM 0 H ARG A 147 67.289 10.400 0.941 1.00 0.54 H new ATOM 0 HA ARG A 147 65.079 9.060 -0.641 1.00 0.49 H new ATOM 0 HB2 ARG A 147 67.923 10.046 -1.221 1.00 0.57 H new ATOM 0 HB3 ARG A 147 67.190 8.808 -2.222 1.00 0.57 H new ATOM 0 HG2 ARG A 147 65.493 10.269 -3.027 1.00 0.78 H new ATOM 0 HG3 ARG A 147 65.635 11.354 -1.659 1.00 0.78 H new ATOM 0 HD2 ARG A 147 67.280 12.591 -2.706 1.00 0.73 H new ATOM 0 HD3 ARG A 147 68.201 11.156 -3.108 1.00 0.73 H new ATOM 0 HE ARG A 147 65.857 11.064 -4.771 1.00 1.07 H new ATOM 0 HH11 ARG A 147 69.047 11.552 -5.206 1.00 2.22 H new ATOM 0 HH12 ARG A 147 68.934 12.860 -6.388 1.00 2.22 H new ATOM 0 HH21 ARG A 147 65.531 13.421 -5.815 1.00 2.32 H new ATOM 0 HH22 ARG A 147 66.962 13.909 -6.730 1.00 2.32 H new ATOM 966 N ILE A 148 66.276 6.774 -0.555 1.00 0.35 N ATOM 967 CA ILE A 148 66.730 5.418 -0.128 1.00 0.36 C ATOM 968 C ILE A 148 67.238 4.627 -1.338 1.00 0.40 C ATOM 969 O ILE A 148 66.676 4.691 -2.413 1.00 0.41 O ATOM 970 CB ILE A 148 65.488 4.754 0.466 1.00 0.35 C ATOM 971 CG1 ILE A 148 65.217 5.331 1.858 1.00 0.40 C ATOM 972 CG2 ILE A 148 65.718 3.245 0.578 1.00 0.43 C ATOM 973 CD1 ILE A 148 63.991 4.648 2.465 1.00 0.40 C ATOM 0 H ILE A 148 65.690 6.791 -1.390 1.00 0.35 H new ATOM 0 HA ILE A 148 67.550 5.462 0.589 1.00 0.36 H new ATOM 0 HB ILE A 148 64.632 4.944 -0.181 1.00 0.35 H new ATOM 0 HG12 ILE A 148 66.085 5.181 2.500 1.00 0.40 H new ATOM 0 HG13 ILE A 148 65.051 6.406 1.791 1.00 0.40 H new ATOM 0 HG21 ILE A 148 64.832 2.772 1.002 1.00 0.43 H new ATOM 0 HG22 ILE A 148 65.911 2.832 -0.412 1.00 0.43 H new ATOM 0 HG23 ILE A 148 66.575 3.055 1.224 1.00 0.43 H new ATOM 0 HD11 ILE A 148 63.799 5.059 3.456 1.00 0.40 H new ATOM 0 HD12 ILE A 148 63.125 4.821 1.826 1.00 0.40 H new ATOM 0 HD13 ILE A 148 64.174 3.577 2.546 1.00 0.40 H new ATOM 985 N ASP A 149 68.294 3.879 -1.175 1.00 0.47 N ATOM 986 CA ASP A 149 68.827 3.089 -2.324 1.00 0.55 C ATOM 987 C ASP A 149 68.620 1.590 -2.080 1.00 0.58 C ATOM 988 O ASP A 149 67.838 1.189 -1.241 1.00 0.54 O ATOM 989 CB ASP A 149 70.320 3.426 -2.402 1.00 0.65 C ATOM 990 CG ASP A 149 70.919 3.490 -0.996 1.00 1.32 C ATOM 991 OD1 ASP A 149 71.326 2.455 -0.501 1.00 2.00 O ATOM 992 OD2 ASP A 149 70.959 4.576 -0.440 1.00 2.16 O ATOM 0 H ASP A 149 68.810 3.780 -0.301 1.00 0.47 H new ATOM 0 HA ASP A 149 68.316 3.332 -3.255 1.00 0.55 H new ATOM 0 HB2 ASP A 149 70.840 2.673 -2.993 1.00 0.65 H new ATOM 0 HB3 ASP A 149 70.459 4.381 -2.909 1.00 0.65 H new ATOM 997 N TYR A 150 69.309 0.761 -2.817 1.00 0.67 N ATOM 998 CA TYR A 150 69.146 -0.711 -2.639 1.00 0.73 C ATOM 999 C TYR A 150 69.715 -1.165 -1.291 1.00 0.75 C ATOM 1000 O TYR A 150 69.405 -2.236 -0.809 1.00 0.76 O ATOM 1001 CB TYR A 150 69.936 -1.335 -3.789 1.00 0.84 C ATOM 1002 CG TYR A 150 69.962 -2.835 -3.625 1.00 0.97 C ATOM 1003 CD1 TYR A 150 68.809 -3.512 -3.211 1.00 1.63 C ATOM 1004 CD2 TYR A 150 71.138 -3.550 -3.884 1.00 1.74 C ATOM 1005 CE1 TYR A 150 68.831 -4.904 -3.058 1.00 2.06 C ATOM 1006 CE2 TYR A 150 71.161 -4.941 -3.731 1.00 2.14 C ATOM 1007 CZ TYR A 150 70.007 -5.618 -3.318 1.00 2.02 C ATOM 1008 OH TYR A 150 70.029 -6.990 -3.166 1.00 2.63 O ATOM 0 H TYR A 150 69.978 1.039 -3.535 1.00 0.67 H new ATOM 0 HA TYR A 150 68.097 -1.008 -2.648 1.00 0.73 H new ATOM 0 HB2 TYR A 150 69.480 -1.071 -4.743 1.00 0.84 H new ATOM 0 HB3 TYR A 150 70.953 -0.942 -3.801 1.00 0.84 H new ATOM 0 HD1 TYR A 150 67.902 -2.961 -3.010 1.00 1.63 H new ATOM 0 HD2 TYR A 150 72.028 -3.027 -4.202 1.00 1.74 H new ATOM 0 HE1 TYR A 150 67.941 -5.427 -2.740 1.00 2.06 H new ATOM 0 HE2 TYR A 150 72.068 -5.492 -3.931 1.00 2.14 H new ATOM 0 HH TYR A 150 70.921 -7.329 -3.388 1.00 2.63 H new ATOM 1018 N ASP A 151 70.545 -0.367 -0.678 1.00 0.78 N ATOM 1019 CA ASP A 151 71.125 -0.772 0.636 1.00 0.82 C ATOM 1020 C ASP A 151 70.248 -0.265 1.784 1.00 0.74 C ATOM 1021 O ASP A 151 69.838 -1.019 2.644 1.00 0.76 O ATOM 1022 CB ASP A 151 72.508 -0.119 0.682 1.00 0.87 C ATOM 1023 CG ASP A 151 73.466 -0.895 -0.224 1.00 1.31 C ATOM 1024 OD1 ASP A 151 73.284 -0.840 -1.430 1.00 1.67 O ATOM 1025 OD2 ASP A 151 74.364 -1.530 0.302 1.00 2.08 O ATOM 0 H ASP A 151 70.846 0.543 -1.026 1.00 0.78 H new ATOM 0 HA ASP A 151 71.186 -1.855 0.742 1.00 0.82 H new ATOM 0 HB2 ASP A 151 72.443 0.919 0.357 1.00 0.87 H new ATOM 0 HB3 ASP A 151 72.884 -0.110 1.705 1.00 0.87 H new ATOM 1030 N GLU A 152 69.953 1.005 1.804 1.00 0.67 N ATOM 1031 CA GLU A 152 69.098 1.555 2.895 1.00 0.61 C ATOM 1032 C GLU A 152 67.702 0.930 2.832 1.00 0.58 C ATOM 1033 O GLU A 152 67.012 0.825 3.826 1.00 0.58 O ATOM 1034 CB GLU A 152 69.028 3.058 2.624 1.00 0.59 C ATOM 1035 CG GLU A 152 70.427 3.665 2.746 1.00 0.76 C ATOM 1036 CD GLU A 152 70.323 5.191 2.771 1.00 0.75 C ATOM 1037 OE1 GLU A 152 69.674 5.707 3.667 1.00 1.20 O ATOM 1038 OE2 GLU A 152 70.893 5.819 1.894 1.00 1.39 O ATOM 0 H GLU A 152 70.266 1.686 1.113 1.00 0.67 H new ATOM 0 HA GLU A 152 69.499 1.340 3.886 1.00 0.61 H new ATOM 0 HB2 GLU A 152 68.627 3.240 1.627 1.00 0.59 H new ATOM 0 HB3 GLU A 152 68.350 3.535 3.332 1.00 0.59 H new ATOM 0 HG2 GLU A 152 70.911 3.308 3.655 1.00 0.76 H new ATOM 0 HG3 GLU A 152 71.047 3.346 1.908 1.00 0.76 H new ATOM 1045 N PHE A 153 67.285 0.515 1.667 1.00 0.60 N ATOM 1046 CA PHE A 153 65.934 -0.104 1.532 1.00 0.61 C ATOM 1047 C PHE A 153 65.937 -1.513 2.136 1.00 0.66 C ATOM 1048 O PHE A 153 65.033 -1.892 2.853 1.00 0.71 O ATOM 1049 CB PHE A 153 65.677 -0.153 0.021 1.00 0.64 C ATOM 1050 CG PHE A 153 64.658 -1.224 -0.298 1.00 0.68 C ATOM 1051 CD1 PHE A 153 65.067 -2.557 -0.428 1.00 1.47 C ATOM 1052 CD2 PHE A 153 63.310 -0.885 -0.460 1.00 1.18 C ATOM 1053 CE1 PHE A 153 64.127 -3.551 -0.721 1.00 1.55 C ATOM 1054 CE2 PHE A 153 62.370 -1.880 -0.753 1.00 1.24 C ATOM 1055 CZ PHE A 153 62.779 -3.213 -0.885 1.00 0.93 C ATOM 0 H PHE A 153 67.821 0.578 0.802 1.00 0.60 H new ATOM 0 HA PHE A 153 65.160 0.457 2.056 1.00 0.61 H new ATOM 0 HB2 PHE A 153 65.319 0.816 -0.326 1.00 0.64 H new ATOM 0 HB3 PHE A 153 66.608 -0.357 -0.508 1.00 0.64 H new ATOM 0 HD1 PHE A 153 66.108 -2.818 -0.302 1.00 1.47 H new ATOM 0 HD2 PHE A 153 62.995 0.143 -0.359 1.00 1.18 H new ATOM 0 HE1 PHE A 153 64.442 -4.579 -0.821 1.00 1.55 H new ATOM 0 HE2 PHE A 153 61.329 -1.620 -0.877 1.00 1.24 H new ATOM 0 HZ PHE A 153 62.054 -3.980 -1.113 1.00 0.93 H new ATOM 1065 N LEU A 154 66.946 -2.292 1.846 1.00 0.72 N ATOM 1066 CA LEU A 154 67.006 -3.676 2.397 1.00 0.80 C ATOM 1067 C LEU A 154 66.551 -3.690 3.858 1.00 0.79 C ATOM 1068 O LEU A 154 65.661 -4.428 4.234 1.00 0.82 O ATOM 1069 CB LEU A 154 68.476 -4.082 2.290 1.00 0.92 C ATOM 1070 CG LEU A 154 68.597 -5.327 1.410 1.00 0.85 C ATOM 1071 CD1 LEU A 154 69.439 -5.002 0.176 1.00 1.74 C ATOM 1072 CD2 LEU A 154 69.271 -6.446 2.206 1.00 1.54 C ATOM 0 H LEU A 154 67.731 -2.028 1.251 1.00 0.72 H new ATOM 0 HA LEU A 154 66.352 -4.361 1.857 1.00 0.80 H new ATOM 0 HB2 LEU A 154 69.060 -3.265 1.866 1.00 0.92 H new ATOM 0 HB3 LEU A 154 68.882 -4.283 3.281 1.00 0.92 H new ATOM 0 HG LEU A 154 67.604 -5.648 1.096 1.00 0.85 H new ATOM 0 HD11 LEU A 154 69.525 -5.890 -0.450 1.00 1.74 H new ATOM 0 HD12 LEU A 154 68.961 -4.203 -0.391 1.00 1.74 H new ATOM 0 HD13 LEU A 154 70.433 -4.681 0.488 1.00 1.74 H new ATOM 0 HD21 LEU A 154 69.359 -7.335 1.581 1.00 1.54 H new ATOM 0 HD22 LEU A 154 70.264 -6.123 2.519 1.00 1.54 H new ATOM 0 HD23 LEU A 154 68.671 -6.679 3.086 1.00 1.54 H new ATOM 1084 N GLU A 155 67.151 -2.880 4.685 1.00 0.79 N ATOM 1085 CA GLU A 155 66.748 -2.849 6.120 1.00 0.82 C ATOM 1086 C GLU A 155 65.297 -2.381 6.250 1.00 0.81 C ATOM 1087 O GLU A 155 64.540 -2.888 7.055 1.00 0.90 O ATOM 1088 CB GLU A 155 67.697 -1.846 6.777 1.00 0.85 C ATOM 1089 CG GLU A 155 68.009 -2.297 8.204 1.00 0.95 C ATOM 1090 CD GLU A 155 67.203 -1.455 9.195 1.00 1.67 C ATOM 1091 OE1 GLU A 155 66.561 -0.514 8.759 1.00 2.27 O ATOM 1092 OE2 GLU A 155 67.240 -1.768 10.375 1.00 2.47 O ATOM 0 H GLU A 155 67.902 -2.239 4.430 1.00 0.79 H new ATOM 0 HA GLU A 155 66.808 -3.832 6.588 1.00 0.82 H new ATOM 0 HB2 GLU A 155 68.618 -1.769 6.199 1.00 0.85 H new ATOM 0 HB3 GLU A 155 67.244 -0.855 6.789 1.00 0.85 H new ATOM 0 HG2 GLU A 155 67.764 -3.352 8.324 1.00 0.95 H new ATOM 0 HG3 GLU A 155 69.075 -2.192 8.405 1.00 0.95 H new ATOM 1099 N PHE A 156 64.899 -1.420 5.462 1.00 0.75 N ATOM 1100 CA PHE A 156 63.495 -0.923 5.539 1.00 0.78 C ATOM 1101 C PHE A 156 62.517 -2.100 5.505 1.00 0.84 C ATOM 1102 O PHE A 156 61.793 -2.347 6.450 1.00 0.90 O ATOM 1103 CB PHE A 156 63.319 -0.046 4.300 1.00 0.78 C ATOM 1104 CG PHE A 156 61.999 0.682 4.381 1.00 0.85 C ATOM 1105 CD1 PHE A 156 60.799 -0.037 4.321 1.00 1.66 C ATOM 1106 CD2 PHE A 156 61.974 2.075 4.516 1.00 1.27 C ATOM 1107 CE1 PHE A 156 59.574 0.636 4.397 1.00 1.77 C ATOM 1108 CE2 PHE A 156 60.749 2.748 4.591 1.00 1.31 C ATOM 1109 CZ PHE A 156 59.549 2.030 4.531 1.00 1.10 C ATOM 0 H PHE A 156 65.485 -0.957 4.768 1.00 0.75 H new ATOM 0 HA PHE A 156 63.300 -0.373 6.460 1.00 0.78 H new ATOM 0 HB2 PHE A 156 64.138 0.670 4.229 1.00 0.78 H new ATOM 0 HB3 PHE A 156 63.353 -0.659 3.400 1.00 0.78 H new ATOM 0 HD1 PHE A 156 60.819 -1.112 4.216 1.00 1.66 H new ATOM 0 HD2 PHE A 156 62.899 2.630 4.562 1.00 1.27 H new ATOM 0 HE1 PHE A 156 58.649 0.081 4.352 1.00 1.77 H new ATOM 0 HE2 PHE A 156 60.730 3.823 4.695 1.00 1.31 H new ATOM 0 HZ PHE A 156 58.604 2.551 4.588 1.00 1.10 H new ATOM 1119 N MET A 157 62.490 -2.829 4.424 1.00 0.86 N ATOM 1120 CA MET A 157 61.561 -3.990 4.325 1.00 0.95 C ATOM 1121 C MET A 157 61.977 -5.087 5.310 1.00 0.99 C ATOM 1122 O MET A 157 61.225 -6.000 5.591 1.00 1.12 O ATOM 1123 CB MET A 157 61.698 -4.483 2.884 1.00 0.99 C ATOM 1124 CG MET A 157 60.482 -5.336 2.517 1.00 1.28 C ATOM 1125 SD MET A 157 60.389 -5.508 0.718 1.00 1.48 S ATOM 1126 CE MET A 157 59.713 -3.866 0.368 1.00 1.12 C ATOM 0 H MET A 157 63.073 -2.670 3.602 1.00 0.86 H new ATOM 0 HA MET A 157 60.534 -3.719 4.568 1.00 0.95 H new ATOM 0 HB2 MET A 157 61.778 -3.634 2.205 1.00 0.99 H new ATOM 0 HB3 MET A 157 62.612 -5.067 2.774 1.00 0.99 H new ATOM 0 HG2 MET A 157 60.559 -6.318 2.984 1.00 1.28 H new ATOM 0 HG3 MET A 157 59.571 -4.873 2.897 1.00 1.28 H new ATOM 0 HE1 MET A 157 59.945 -3.589 -0.660 1.00 1.12 H new ATOM 0 HE2 MET A 157 58.632 -3.881 0.505 1.00 1.12 H new ATOM 0 HE3 MET A 157 60.155 -3.138 1.049 1.00 1.12 H new ATOM 1136 N LYS A 158 63.169 -5.005 5.835 1.00 0.94 N ATOM 1137 CA LYS A 158 63.630 -6.045 6.801 1.00 1.02 C ATOM 1138 C LYS A 158 62.724 -6.059 8.034 1.00 1.05 C ATOM 1139 O LYS A 158 62.240 -7.093 8.449 1.00 1.20 O ATOM 1140 CB LYS A 158 65.051 -5.630 7.183 1.00 1.07 C ATOM 1141 CG LYS A 158 65.865 -6.872 7.550 1.00 1.26 C ATOM 1142 CD LYS A 158 66.678 -7.329 6.337 1.00 1.53 C ATOM 1143 CE LYS A 158 68.152 -6.976 6.548 1.00 1.45 C ATOM 1144 NZ LYS A 158 68.893 -7.837 5.585 1.00 2.07 N ATOM 0 H LYS A 158 63.843 -4.265 5.638 1.00 0.94 H new ATOM 0 HA LYS A 158 63.600 -7.048 6.374 1.00 1.02 H new ATOM 0 HB2 LYS A 158 65.523 -5.105 6.353 1.00 1.07 H new ATOM 0 HB3 LYS A 158 65.025 -4.938 8.024 1.00 1.07 H new ATOM 0 HG2 LYS A 158 66.531 -6.650 8.384 1.00 1.26 H new ATOM 0 HG3 LYS A 158 65.200 -7.671 7.877 1.00 1.26 H new ATOM 0 HD2 LYS A 158 66.567 -8.404 6.196 1.00 1.53 H new ATOM 0 HD3 LYS A 158 66.304 -6.848 5.433 1.00 1.53 H new ATOM 0 HE2 LYS A 158 68.337 -5.919 6.356 1.00 1.45 H new ATOM 0 HE3 LYS A 158 68.463 -7.173 7.574 1.00 1.45 H new ATOM 0 HZ1 LYS A 158 69.773 -7.361 5.300 1.00 2.07 H new ATOM 0 HZ2 LYS A 158 69.121 -8.746 6.036 1.00 2.07 H new ATOM 0 HZ3 LYS A 158 68.303 -8.006 4.745 1.00 2.07 H new