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 98 SER OG : rot 91:sc= 0.995 USER MOD Set 1.2: A 150 TYR OH : rot 180:sc= -1.64! USER MOD Set 2.1: A 120 MET CE :methyl 178:sc= -2.17 (180deg=-2.19) USER MOD Set 2.2: A 157 MET CE :methyl 148:sc= 0 (180deg=-0.846) USER MOD Single : A 103 MET CE :methyl -171:sc= 0 (180deg=-0.0559) USER MOD Single : A 106 LYS NZ :NH3+ 178:sc= -0.478 (180deg=-0.491) USER MOD Single : A 107 ASN : amide:sc= -4.65! C(o=-4.7!,f=-5.9!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 129 THR OG1 : rot -46:sc= 0.108 USER MOD Single : A 137 MET CE :methyl -132:sc= -2.91! (180deg=-6.06!) USER MOD Single : A 138 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.0175) USER MOD Single : A 142 LYS NZ :NH3+ 171:sc=-0.00351 (180deg=-0.0875) USER MOD Single : A 143 ASN : amide:sc= -9.5! C(o=-9.5!,f=-17!) USER MOD Single : A 144 ASN : amide:sc= -3.08! K(o=-3.1!,f=-0.94) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 155 N GLU A 96 64.437 -10.793 -3.313 1.00 1.38 N ATOM 156 CA GLU A 96 63.030 -10.298 -3.329 1.00 1.34 C ATOM 157 C GLU A 96 62.983 -8.812 -2.960 1.00 1.16 C ATOM 158 O GLU A 96 62.424 -8.004 -3.675 1.00 1.07 O ATOM 159 CB GLU A 96 62.305 -11.134 -2.273 1.00 1.51 C ATOM 160 CG GLU A 96 62.438 -12.619 -2.617 1.00 2.07 C ATOM 161 CD GLU A 96 61.773 -12.895 -3.967 1.00 2.19 C ATOM 162 OE1 GLU A 96 60.769 -12.261 -4.250 1.00 2.61 O ATOM 163 OE2 GLU A 96 62.278 -13.734 -4.694 1.00 2.60 O ATOM 0 HA GLU A 96 62.572 -10.394 -4.313 1.00 1.34 H new ATOM 0 HB2 GLU A 96 62.727 -10.939 -1.287 1.00 1.51 H new ATOM 0 HB3 GLU A 96 61.253 -10.853 -2.231 1.00 1.51 H new ATOM 0 HG2 GLU A 96 63.490 -12.901 -2.654 1.00 2.07 H new ATOM 0 HG3 GLU A 96 61.973 -13.226 -1.840 1.00 2.07 H new ATOM 170 N LEU A 97 63.563 -8.446 -1.850 1.00 1.14 N ATOM 171 CA LEU A 97 63.547 -7.013 -1.439 1.00 0.99 C ATOM 172 C LEU A 97 64.033 -6.128 -2.589 1.00 0.82 C ATOM 173 O LEU A 97 63.556 -5.027 -2.782 1.00 0.70 O ATOM 174 CB LEU A 97 64.511 -6.931 -0.254 1.00 1.03 C ATOM 175 CG LEU A 97 63.783 -7.342 1.027 1.00 1.31 C ATOM 176 CD1 LEU A 97 64.136 -8.789 1.375 1.00 1.57 C ATOM 177 CD2 LEU A 97 64.214 -6.423 2.173 1.00 1.71 C ATOM 0 H LEU A 97 64.047 -9.076 -1.210 1.00 1.14 H new ATOM 0 HA LEU A 97 62.547 -6.669 -1.175 1.00 0.99 H new ATOM 0 HB2 LEU A 97 65.368 -7.583 -0.423 1.00 1.03 H new ATOM 0 HB3 LEU A 97 64.897 -5.917 -0.156 1.00 1.03 H new ATOM 0 HG LEU A 97 62.707 -7.258 0.876 1.00 1.31 H new ATOM 0 HD11 LEU A 97 63.617 -9.081 2.288 1.00 1.57 H new ATOM 0 HD12 LEU A 97 63.831 -9.444 0.559 1.00 1.57 H new ATOM 0 HD13 LEU A 97 65.212 -8.875 1.526 1.00 1.57 H new ATOM 0 HD21 LEU A 97 63.696 -6.714 3.087 1.00 1.71 H new ATOM 0 HD22 LEU A 97 65.290 -6.508 2.323 1.00 1.71 H new ATOM 0 HD23 LEU A 97 63.963 -5.391 1.926 1.00 1.71 H new ATOM 189 N SER A 98 64.978 -6.599 -3.356 1.00 0.87 N ATOM 190 CA SER A 98 65.492 -5.782 -4.493 1.00 0.78 C ATOM 191 C SER A 98 64.408 -5.626 -5.564 1.00 0.75 C ATOM 192 O SER A 98 63.990 -4.530 -5.882 1.00 0.74 O ATOM 193 CB SER A 98 66.679 -6.571 -5.043 1.00 0.93 C ATOM 194 OG SER A 98 67.271 -5.846 -6.114 1.00 1.41 O ATOM 0 H SER A 98 65.416 -7.513 -3.245 1.00 0.87 H new ATOM 0 HA SER A 98 65.779 -4.777 -4.183 1.00 0.78 H new ATOM 0 HB2 SER A 98 67.413 -6.742 -4.255 1.00 0.93 H new ATOM 0 HB3 SER A 98 66.350 -7.550 -5.390 1.00 0.93 H new ATOM 0 HG SER A 98 67.979 -5.266 -5.764 1.00 1.41 H new ATOM 200 N ASP A 99 63.951 -6.713 -6.121 1.00 0.80 N ATOM 201 CA ASP A 99 62.894 -6.627 -7.171 1.00 0.82 C ATOM 202 C ASP A 99 61.826 -5.606 -6.767 1.00 0.77 C ATOM 203 O ASP A 99 61.363 -4.827 -7.575 1.00 0.77 O ATOM 204 CB ASP A 99 62.294 -8.032 -7.244 1.00 0.93 C ATOM 205 CG ASP A 99 62.653 -8.672 -8.586 1.00 1.45 C ATOM 206 OD1 ASP A 99 62.448 -8.027 -9.602 1.00 1.92 O ATOM 207 OD2 ASP A 99 63.126 -9.797 -8.575 1.00 2.18 O ATOM 0 H ASP A 99 64.263 -7.658 -5.896 1.00 0.80 H new ATOM 0 HA ASP A 99 63.293 -6.303 -8.132 1.00 0.82 H new ATOM 0 HB2 ASP A 99 62.672 -8.643 -6.425 1.00 0.93 H new ATOM 0 HB3 ASP A 99 61.211 -7.983 -7.131 1.00 0.93 H new ATOM 212 N LEU A 100 61.432 -5.607 -5.523 1.00 0.77 N ATOM 213 CA LEU A 100 60.394 -4.636 -5.070 1.00 0.77 C ATOM 214 C LEU A 100 60.914 -3.202 -5.206 1.00 0.64 C ATOM 215 O LEU A 100 60.270 -2.349 -5.781 1.00 0.64 O ATOM 216 CB LEU A 100 60.142 -4.976 -3.601 1.00 0.85 C ATOM 217 CG LEU A 100 59.425 -6.323 -3.502 1.00 1.16 C ATOM 218 CD1 LEU A 100 58.948 -6.542 -2.065 1.00 1.54 C ATOM 219 CD2 LEU A 100 58.220 -6.331 -4.445 1.00 1.57 C ATOM 0 H LEU A 100 61.783 -6.237 -4.801 1.00 0.77 H new ATOM 0 HA LEU A 100 59.483 -4.702 -5.665 1.00 0.77 H new ATOM 0 HB2 LEU A 100 61.087 -5.015 -3.059 1.00 0.85 H new ATOM 0 HB3 LEU A 100 59.539 -4.197 -3.135 1.00 0.85 H new ATOM 0 HG LEU A 100 60.112 -7.121 -3.783 1.00 1.16 H new ATOM 0 HD11 LEU A 100 58.437 -7.502 -1.994 1.00 1.54 H new ATOM 0 HD12 LEU A 100 59.806 -6.537 -1.392 1.00 1.54 H new ATOM 0 HD13 LEU A 100 58.261 -5.744 -1.784 1.00 1.54 H new ATOM 0 HD21 LEU A 100 57.709 -7.291 -4.374 1.00 1.57 H new ATOM 0 HD22 LEU A 100 57.533 -5.533 -4.164 1.00 1.57 H new ATOM 0 HD23 LEU A 100 58.558 -6.175 -5.469 1.00 1.57 H new ATOM 231 N PHE A 101 62.077 -2.933 -4.679 1.00 0.60 N ATOM 232 CA PHE A 101 62.639 -1.553 -4.775 1.00 0.53 C ATOM 233 C PHE A 101 62.627 -1.078 -6.230 1.00 0.49 C ATOM 234 O PHE A 101 62.126 -0.016 -6.543 1.00 0.61 O ATOM 235 CB PHE A 101 64.074 -1.674 -4.264 1.00 0.57 C ATOM 236 CG PHE A 101 64.780 -0.348 -4.423 1.00 0.46 C ATOM 237 CD1 PHE A 101 65.118 0.116 -5.701 1.00 1.23 C ATOM 238 CD2 PHE A 101 65.097 0.417 -3.294 1.00 1.31 C ATOM 239 CE1 PHE A 101 65.773 1.345 -5.848 1.00 1.23 C ATOM 240 CE2 PHE A 101 65.750 1.646 -3.442 1.00 1.30 C ATOM 241 CZ PHE A 101 66.089 2.110 -4.719 1.00 0.40 C ATOM 0 H PHE A 101 62.663 -3.607 -4.186 1.00 0.60 H new ATOM 0 HA PHE A 101 62.060 -0.830 -4.200 1.00 0.53 H new ATOM 0 HB2 PHE A 101 64.074 -1.974 -3.216 1.00 0.57 H new ATOM 0 HB3 PHE A 101 64.604 -2.449 -4.818 1.00 0.57 H new ATOM 0 HD1 PHE A 101 64.874 -0.474 -6.572 1.00 1.23 H new ATOM 0 HD2 PHE A 101 64.838 0.059 -2.309 1.00 1.31 H new ATOM 0 HE1 PHE A 101 66.034 1.703 -6.833 1.00 1.23 H new ATOM 0 HE2 PHE A 101 65.993 2.237 -2.571 1.00 1.30 H new ATOM 0 HZ PHE A 101 66.594 3.058 -4.833 1.00 0.40 H new ATOM 251 N ARG A 102 63.178 -1.856 -7.123 1.00 0.53 N ATOM 252 CA ARG A 102 63.199 -1.448 -8.557 1.00 0.70 C ATOM 253 C ARG A 102 61.782 -1.485 -9.138 1.00 0.80 C ATOM 254 O ARG A 102 61.492 -0.848 -10.131 1.00 1.09 O ATOM 255 CB ARG A 102 64.089 -2.481 -9.248 1.00 0.87 C ATOM 256 CG ARG A 102 65.548 -2.023 -9.185 1.00 1.28 C ATOM 257 CD ARG A 102 66.417 -3.159 -8.641 1.00 1.83 C ATOM 258 NE ARG A 102 67.641 -3.147 -9.489 1.00 2.26 N ATOM 259 CZ ARG A 102 68.063 -4.253 -10.040 1.00 2.89 C ATOM 260 NH1 ARG A 102 67.426 -4.758 -11.061 1.00 3.22 N ATOM 261 NH2 ARG A 102 69.121 -4.854 -9.568 1.00 3.68 N ATOM 0 H ARG A 102 63.614 -2.756 -6.921 1.00 0.53 H new ATOM 0 HA ARG A 102 63.571 -0.433 -8.693 1.00 0.70 H new ATOM 0 HB2 ARG A 102 63.980 -3.452 -8.764 1.00 0.87 H new ATOM 0 HB3 ARG A 102 63.781 -2.606 -10.286 1.00 0.87 H new ATOM 0 HG2 ARG A 102 65.892 -1.731 -10.177 1.00 1.28 H new ATOM 0 HG3 ARG A 102 65.637 -1.145 -8.546 1.00 1.28 H new ATOM 0 HD2 ARG A 102 66.663 -3.000 -7.591 1.00 1.83 H new ATOM 0 HD3 ARG A 102 65.901 -4.117 -8.706 1.00 1.83 H new ATOM 0 HE ARG A 102 68.149 -2.276 -9.639 1.00 2.26 H new ATOM 0 HH11 ARG A 102 66.598 -4.289 -11.429 1.00 3.22 H new ATOM 0 HH12 ARG A 102 67.756 -5.622 -11.491 1.00 3.22 H new ATOM 0 HH21 ARG A 102 69.618 -4.460 -8.769 1.00 3.68 H new ATOM 0 HH22 ARG A 102 69.451 -5.718 -9.998 1.00 3.68 H new ATOM 275 N MET A 103 60.900 -2.229 -8.529 1.00 0.68 N ATOM 276 CA MET A 103 59.505 -2.307 -9.048 1.00 0.81 C ATOM 277 C MET A 103 58.629 -1.242 -8.381 1.00 0.79 C ATOM 278 O MET A 103 57.488 -1.043 -8.750 1.00 0.90 O ATOM 279 CB MET A 103 59.024 -3.710 -8.674 1.00 0.91 C ATOM 280 CG MET A 103 57.717 -4.016 -9.407 1.00 1.35 C ATOM 281 SD MET A 103 57.540 -5.806 -9.605 1.00 1.92 S ATOM 282 CE MET A 103 56.606 -6.113 -8.086 1.00 1.63 C ATOM 0 H MET A 103 61.085 -2.786 -7.695 1.00 0.68 H new ATOM 0 HA MET A 103 59.453 -2.130 -10.122 1.00 0.81 H new ATOM 0 HB2 MET A 103 59.782 -4.448 -8.938 1.00 0.91 H new ATOM 0 HB3 MET A 103 58.873 -3.779 -7.597 1.00 0.91 H new ATOM 0 HG2 MET A 103 56.872 -3.616 -8.847 1.00 1.35 H new ATOM 0 HG3 MET A 103 57.712 -3.529 -10.382 1.00 1.35 H new ATOM 0 HE1 MET A 103 56.523 -7.187 -7.921 1.00 1.63 H new ATOM 0 HE2 MET A 103 57.123 -5.655 -7.242 1.00 1.63 H new ATOM 0 HE3 MET A 103 55.609 -5.682 -8.178 1.00 1.63 H new ATOM 292 N PHE A 104 59.153 -0.554 -7.405 1.00 0.71 N ATOM 293 CA PHE A 104 58.350 0.498 -6.719 1.00 0.75 C ATOM 294 C PHE A 104 58.965 1.879 -6.970 1.00 0.68 C ATOM 295 O PHE A 104 58.372 2.895 -6.667 1.00 0.80 O ATOM 296 CB PHE A 104 58.413 0.143 -5.232 1.00 0.76 C ATOM 297 CG PHE A 104 57.302 -0.825 -4.894 1.00 1.03 C ATOM 298 CD1 PHE A 104 55.967 -0.474 -5.134 1.00 1.71 C ATOM 299 CD2 PHE A 104 57.607 -2.074 -4.338 1.00 1.67 C ATOM 300 CE1 PHE A 104 54.940 -1.372 -4.819 1.00 2.03 C ATOM 301 CE2 PHE A 104 56.579 -2.971 -4.024 1.00 1.90 C ATOM 302 CZ PHE A 104 55.246 -2.620 -4.264 1.00 1.76 C ATOM 0 H PHE A 104 60.103 -0.674 -7.052 1.00 0.71 H new ATOM 0 HA PHE A 104 57.323 0.536 -7.083 1.00 0.75 H new ATOM 0 HB2 PHE A 104 59.380 -0.300 -4.994 1.00 0.76 H new ATOM 0 HB3 PHE A 104 58.319 1.045 -4.628 1.00 0.76 H new ATOM 0 HD1 PHE A 104 55.730 0.489 -5.562 1.00 1.71 H new ATOM 0 HD2 PHE A 104 58.636 -2.345 -4.151 1.00 1.67 H new ATOM 0 HE1 PHE A 104 53.911 -1.102 -5.004 1.00 2.03 H new ATOM 0 HE2 PHE A 104 56.815 -3.934 -3.596 1.00 1.90 H new ATOM 0 HZ PHE A 104 54.453 -3.312 -4.021 1.00 1.76 H new ATOM 312 N ASP A 105 60.148 1.923 -7.521 1.00 0.58 N ATOM 313 CA ASP A 105 60.799 3.239 -7.792 1.00 0.52 C ATOM 314 C ASP A 105 60.150 3.914 -9.000 1.00 0.52 C ATOM 315 O ASP A 105 60.666 3.871 -10.099 1.00 0.60 O ATOM 316 CB ASP A 105 62.263 2.908 -8.086 1.00 0.60 C ATOM 317 CG ASP A 105 63.081 4.202 -8.140 1.00 0.51 C ATOM 318 OD1 ASP A 105 62.630 5.191 -7.583 1.00 0.48 O ATOM 319 OD2 ASP A 105 64.144 4.183 -8.739 1.00 0.54 O ATOM 0 H ASP A 105 60.692 1.105 -7.795 1.00 0.58 H new ATOM 0 HA ASP A 105 60.698 3.927 -6.952 1.00 0.52 H new ATOM 0 HB2 ASP A 105 62.659 2.247 -7.315 1.00 0.60 H new ATOM 0 HB3 ASP A 105 62.343 2.375 -9.034 1.00 0.60 H new ATOM 324 N LYS A 106 59.022 4.540 -8.804 1.00 0.51 N ATOM 325 CA LYS A 106 58.343 5.220 -9.942 1.00 0.60 C ATOM 326 C LYS A 106 59.265 6.287 -10.538 1.00 0.59 C ATOM 327 O LYS A 106 59.171 6.622 -11.702 1.00 0.70 O ATOM 328 CB LYS A 106 57.100 5.866 -9.333 1.00 0.63 C ATOM 329 CG LYS A 106 56.376 6.687 -10.400 1.00 1.39 C ATOM 330 CD LYS A 106 54.944 6.970 -9.944 1.00 1.58 C ATOM 331 CE LYS A 106 54.972 7.828 -8.677 1.00 2.00 C ATOM 332 NZ LYS A 106 53.650 8.513 -8.649 1.00 2.79 N ATOM 0 H LYS A 106 58.542 4.610 -7.907 1.00 0.51 H new ATOM 0 HA LYS A 106 58.089 4.530 -10.747 1.00 0.60 H new ATOM 0 HB2 LYS A 106 56.435 5.098 -8.937 1.00 0.63 H new ATOM 0 HB3 LYS A 106 57.382 6.505 -8.497 1.00 0.63 H new ATOM 0 HG2 LYS A 106 56.905 7.624 -10.574 1.00 1.39 H new ATOM 0 HG3 LYS A 106 56.367 6.146 -11.346 1.00 1.39 H new ATOM 0 HD2 LYS A 106 54.395 7.485 -10.732 1.00 1.58 H new ATOM 0 HD3 LYS A 106 54.421 6.034 -9.750 1.00 1.58 H new ATOM 0 HE2 LYS A 106 55.118 7.215 -7.788 1.00 2.00 H new ATOM 0 HE3 LYS A 106 55.790 8.548 -8.706 1.00 2.00 H new ATOM 0 HZ1 LYS A 106 53.579 9.095 -7.790 1.00 2.79 H new ATOM 0 HZ2 LYS A 106 53.556 9.121 -9.488 1.00 2.79 H new ATOM 0 HZ3 LYS A 106 52.891 7.802 -8.649 1.00 2.79 H new ATOM 346 N ASN A 107 60.155 6.823 -9.748 1.00 0.53 N ATOM 347 CA ASN A 107 61.079 7.869 -10.275 1.00 0.59 C ATOM 348 C ASN A 107 61.960 7.288 -11.385 1.00 0.60 C ATOM 349 O ASN A 107 62.338 7.973 -12.315 1.00 0.71 O ATOM 350 CB ASN A 107 61.929 8.287 -9.076 1.00 0.62 C ATOM 351 CG ASN A 107 62.770 9.514 -9.437 1.00 1.10 C ATOM 352 OD1 ASN A 107 63.904 9.628 -9.018 1.00 1.50 O ATOM 353 ND2 ASN A 107 62.258 10.446 -10.196 1.00 1.67 N ATOM 0 H ASN A 107 60.283 6.584 -8.765 1.00 0.53 H new ATOM 0 HA ASN A 107 60.543 8.714 -10.708 1.00 0.59 H new ATOM 0 HB2 ASN A 107 61.287 8.513 -8.225 1.00 0.62 H new ATOM 0 HB3 ASN A 107 62.579 7.465 -8.776 1.00 0.62 H new ATOM 0 HD21 ASN A 107 62.811 11.269 -10.436 1.00 1.67 H new ATOM 0 HD22 ASN A 107 61.306 10.351 -10.548 1.00 1.67 H new ATOM 360 N ALA A 108 62.287 6.028 -11.296 1.00 0.56 N ATOM 361 CA ALA A 108 63.140 5.402 -12.348 1.00 0.62 C ATOM 362 C ALA A 108 64.521 6.065 -12.377 1.00 0.64 C ATOM 363 O ALA A 108 65.024 6.424 -13.423 1.00 0.78 O ATOM 364 CB ALA A 108 62.396 5.651 -13.660 1.00 0.72 C ATOM 0 H ALA A 108 62.001 5.404 -10.541 1.00 0.56 H new ATOM 0 HA ALA A 108 63.304 4.340 -12.168 1.00 0.62 H new ATOM 0 HB1 ALA A 108 62.961 5.219 -14.486 1.00 0.72 H new ATOM 0 HB2 ALA A 108 61.410 5.188 -13.613 1.00 0.72 H new ATOM 0 HB3 ALA A 108 62.285 6.724 -13.818 1.00 0.72 H new ATOM 370 N ASP A 109 65.136 6.229 -11.238 1.00 0.57 N ATOM 371 CA ASP A 109 66.484 6.867 -11.202 1.00 0.63 C ATOM 372 C ASP A 109 67.444 6.032 -10.349 1.00 0.63 C ATOM 373 O ASP A 109 68.600 6.369 -10.189 1.00 0.76 O ATOM 374 CB ASP A 109 66.257 8.237 -10.566 1.00 0.62 C ATOM 375 CG ASP A 109 65.942 8.062 -9.079 1.00 0.70 C ATOM 376 OD1 ASP A 109 64.925 7.458 -8.776 1.00 0.75 O ATOM 377 OD2 ASP A 109 66.722 8.534 -8.268 1.00 1.20 O ATOM 0 H ASP A 109 64.764 5.949 -10.330 1.00 0.57 H new ATOM 0 HA ASP A 109 66.929 6.946 -12.194 1.00 0.63 H new ATOM 0 HB2 ASP A 109 67.143 8.859 -10.690 1.00 0.62 H new ATOM 0 HB3 ASP A 109 65.435 8.750 -11.065 1.00 0.62 H new ATOM 382 N GLY A 110 66.973 4.948 -9.796 1.00 0.58 N ATOM 383 CA GLY A 110 67.858 4.096 -8.952 1.00 0.62 C ATOM 384 C GLY A 110 67.543 4.336 -7.475 1.00 0.54 C ATOM 385 O GLY A 110 67.749 3.480 -6.639 1.00 0.57 O ATOM 0 H GLY A 110 66.014 4.615 -9.892 1.00 0.58 H new ATOM 0 HA2 GLY A 110 67.711 3.045 -9.199 1.00 0.62 H new ATOM 0 HA3 GLY A 110 68.904 4.328 -9.154 1.00 0.62 H new ATOM 389 N TYR A 111 67.040 5.496 -7.147 1.00 0.50 N ATOM 390 CA TYR A 111 66.709 5.790 -5.723 1.00 0.48 C ATOM 391 C TYR A 111 65.228 6.150 -5.588 1.00 0.42 C ATOM 392 O TYR A 111 64.559 6.446 -6.558 1.00 0.52 O ATOM 393 CB TYR A 111 67.580 6.991 -5.349 1.00 0.52 C ATOM 394 CG TYR A 111 69.026 6.568 -5.270 1.00 0.60 C ATOM 395 CD1 TYR A 111 69.686 6.103 -6.415 1.00 1.38 C ATOM 396 CD2 TYR A 111 69.709 6.643 -4.051 1.00 1.36 C ATOM 397 CE1 TYR A 111 71.028 5.712 -6.339 1.00 1.46 C ATOM 398 CE2 TYR A 111 71.051 6.252 -3.974 1.00 1.40 C ATOM 399 CZ TYR A 111 71.710 5.787 -5.119 1.00 0.83 C ATOM 400 OH TYR A 111 73.033 5.401 -5.044 1.00 0.97 O ATOM 0 H TYR A 111 66.844 6.252 -7.803 1.00 0.50 H new ATOM 0 HA TYR A 111 66.893 4.933 -5.075 1.00 0.48 H new ATOM 0 HB2 TYR A 111 67.463 7.782 -6.090 1.00 0.52 H new ATOM 0 HB3 TYR A 111 67.259 7.401 -4.392 1.00 0.52 H new ATOM 0 HD1 TYR A 111 69.159 6.046 -7.356 1.00 1.38 H new ATOM 0 HD2 TYR A 111 69.200 7.003 -3.169 1.00 1.36 H new ATOM 0 HE1 TYR A 111 71.537 5.353 -7.221 1.00 1.46 H new ATOM 0 HE2 TYR A 111 71.578 6.309 -3.033 1.00 1.40 H new ATOM 0 HH TYR A 111 73.356 5.517 -4.126 1.00 0.97 H new ATOM 410 N ILE A 112 64.712 6.132 -4.390 1.00 0.36 N ATOM 411 CA ILE A 112 63.277 6.481 -4.193 1.00 0.32 C ATOM 412 C ILE A 112 63.141 7.600 -3.162 1.00 0.35 C ATOM 413 O ILE A 112 64.064 7.907 -2.438 1.00 0.43 O ATOM 414 CB ILE A 112 62.619 5.209 -3.680 1.00 0.32 C ATOM 415 CG1 ILE A 112 63.059 4.043 -4.581 1.00 0.40 C ATOM 416 CG2 ILE A 112 61.094 5.395 -3.720 1.00 0.35 C ATOM 417 CD1 ILE A 112 61.916 3.048 -4.775 1.00 0.46 C ATOM 0 H ILE A 112 65.221 5.891 -3.540 1.00 0.36 H new ATOM 0 HA ILE A 112 62.815 6.835 -5.114 1.00 0.32 H new ATOM 0 HB ILE A 112 62.915 4.994 -2.653 1.00 0.32 H new ATOM 0 HG12 ILE A 112 63.382 4.427 -5.549 1.00 0.40 H new ATOM 0 HG13 ILE A 112 63.916 3.537 -4.137 1.00 0.40 H new ATOM 0 HG21 ILE A 112 60.607 4.491 -3.355 1.00 0.35 H new ATOM 0 HG22 ILE A 112 60.814 6.238 -3.089 1.00 0.35 H new ATOM 0 HG23 ILE A 112 60.778 5.588 -4.745 1.00 0.35 H new ATOM 0 HD11 ILE A 112 62.249 2.231 -5.416 1.00 0.46 H new ATOM 0 HD12 ILE A 112 61.612 2.649 -3.807 1.00 0.46 H new ATOM 0 HD13 ILE A 112 61.070 3.552 -5.241 1.00 0.46 H new ATOM 429 N ASP A 113 61.992 8.204 -3.090 1.00 0.36 N ATOM 430 CA ASP A 113 61.787 9.301 -2.100 1.00 0.44 C ATOM 431 C ASP A 113 60.451 9.106 -1.378 1.00 0.44 C ATOM 432 O ASP A 113 59.621 8.329 -1.796 1.00 0.60 O ATOM 433 CB ASP A 113 61.779 10.596 -2.916 1.00 0.56 C ATOM 434 CG ASP A 113 60.983 10.391 -4.207 1.00 0.94 C ATOM 435 OD1 ASP A 113 60.058 9.598 -4.188 1.00 1.58 O ATOM 436 OD2 ASP A 113 61.313 11.031 -5.191 1.00 1.53 O ATOM 0 H ASP A 113 61.183 7.988 -3.673 1.00 0.36 H new ATOM 0 HA ASP A 113 62.566 9.319 -1.337 1.00 0.44 H new ATOM 0 HB2 ASP A 113 61.338 11.403 -2.330 1.00 0.56 H new ATOM 0 HB3 ASP A 113 62.801 10.894 -3.151 1.00 0.56 H new ATOM 441 N LEU A 114 60.240 9.804 -0.298 1.00 0.47 N ATOM 442 CA LEU A 114 58.959 9.652 0.453 1.00 0.47 C ATOM 443 C LEU A 114 57.755 9.779 -0.489 1.00 0.50 C ATOM 444 O LEU A 114 56.660 9.362 -0.167 1.00 0.52 O ATOM 445 CB LEU A 114 58.963 10.793 1.471 1.00 0.57 C ATOM 446 CG LEU A 114 58.437 10.282 2.813 1.00 0.68 C ATOM 447 CD1 LEU A 114 58.208 11.463 3.757 1.00 1.36 C ATOM 448 CD2 LEU A 114 57.113 9.544 2.592 1.00 1.57 C ATOM 0 H LEU A 114 60.898 10.474 0.099 1.00 0.47 H new ATOM 0 HA LEU A 114 58.879 8.674 0.927 1.00 0.47 H new ATOM 0 HB2 LEU A 114 59.973 11.185 1.590 1.00 0.57 H new ATOM 0 HB3 LEU A 114 58.342 11.615 1.114 1.00 0.57 H new ATOM 0 HG LEU A 114 59.166 9.602 3.253 1.00 0.68 H new ATOM 0 HD11 LEU A 114 57.833 11.097 4.713 1.00 1.36 H new ATOM 0 HD12 LEU A 114 59.149 11.991 3.914 1.00 1.36 H new ATOM 0 HD13 LEU A 114 57.479 12.144 3.318 1.00 1.36 H new ATOM 0 HD21 LEU A 114 56.736 9.179 3.547 1.00 1.57 H new ATOM 0 HD22 LEU A 114 56.385 10.226 2.152 1.00 1.57 H new ATOM 0 HD23 LEU A 114 57.274 8.701 1.919 1.00 1.57 H new ATOM 460 N GLU A 115 57.941 10.358 -1.643 1.00 0.56 N ATOM 461 CA GLU A 115 56.798 10.514 -2.589 1.00 0.64 C ATOM 462 C GLU A 115 56.443 9.171 -3.239 1.00 0.56 C ATOM 463 O GLU A 115 55.286 8.850 -3.424 1.00 0.61 O ATOM 464 CB GLU A 115 57.288 11.507 -3.642 1.00 0.77 C ATOM 465 CG GLU A 115 56.229 12.591 -3.849 1.00 1.54 C ATOM 466 CD GLU A 115 56.740 13.622 -4.855 1.00 2.04 C ATOM 467 OE1 GLU A 115 57.111 13.223 -5.947 1.00 2.45 O ATOM 468 OE2 GLU A 115 56.751 14.795 -4.518 1.00 2.67 O ATOM 0 H GLU A 115 58.832 10.729 -1.972 1.00 0.56 H new ATOM 0 HA GLU A 115 55.897 10.862 -2.084 1.00 0.64 H new ATOM 0 HB2 GLU A 115 58.228 11.957 -3.324 1.00 0.77 H new ATOM 0 HB3 GLU A 115 57.484 10.990 -4.582 1.00 0.77 H new ATOM 0 HG2 GLU A 115 55.303 12.144 -4.210 1.00 1.54 H new ATOM 0 HG3 GLU A 115 56.000 13.076 -2.900 1.00 1.54 H new ATOM 475 N GLU A 116 57.425 8.388 -3.593 1.00 0.49 N ATOM 476 CA GLU A 116 57.135 7.072 -4.236 1.00 0.45 C ATOM 477 C GLU A 116 56.908 5.995 -3.170 1.00 0.43 C ATOM 478 O GLU A 116 56.099 5.104 -3.339 1.00 0.51 O ATOM 479 CB GLU A 116 58.380 6.752 -5.061 1.00 0.42 C ATOM 480 CG GLU A 116 58.604 7.857 -6.097 1.00 0.94 C ATOM 481 CD GLU A 116 60.103 8.093 -6.274 1.00 0.85 C ATOM 482 OE1 GLU A 116 60.845 7.125 -6.229 1.00 1.43 O ATOM 483 OE2 GLU A 116 60.487 9.237 -6.450 1.00 1.28 O ATOM 0 H GLU A 116 58.414 8.601 -3.466 1.00 0.49 H new ATOM 0 HA GLU A 116 56.234 7.104 -4.849 1.00 0.45 H new ATOM 0 HB2 GLU A 116 59.250 6.668 -4.409 1.00 0.42 H new ATOM 0 HB3 GLU A 116 58.262 5.790 -5.560 1.00 0.42 H new ATOM 0 HG2 GLU A 116 58.155 7.574 -7.049 1.00 0.94 H new ATOM 0 HG3 GLU A 116 58.116 8.777 -5.775 1.00 0.94 H new ATOM 490 N LEU A 117 57.613 6.073 -2.076 1.00 0.37 N ATOM 491 CA LEU A 117 57.437 5.057 -1.004 1.00 0.42 C ATOM 492 C LEU A 117 55.963 4.975 -0.612 1.00 0.50 C ATOM 493 O LEU A 117 55.466 3.936 -0.225 1.00 0.58 O ATOM 494 CB LEU A 117 58.278 5.566 0.168 1.00 0.43 C ATOM 495 CG LEU A 117 58.379 4.476 1.236 1.00 0.61 C ATOM 496 CD1 LEU A 117 59.364 3.398 0.778 1.00 0.90 C ATOM 497 CD2 LEU A 117 58.873 5.090 2.548 1.00 1.53 C ATOM 0 H LEU A 117 58.304 6.797 -1.879 1.00 0.37 H new ATOM 0 HA LEU A 117 57.745 4.059 -1.317 1.00 0.42 H new ATOM 0 HB2 LEU A 117 59.273 5.843 -0.179 1.00 0.43 H new ATOM 0 HB3 LEU A 117 57.826 6.463 0.591 1.00 0.43 H new ATOM 0 HG LEU A 117 57.397 4.029 1.389 1.00 0.61 H new ATOM 0 HD11 LEU A 117 59.435 2.622 1.540 1.00 0.90 H new ATOM 0 HD12 LEU A 117 59.014 2.958 -0.156 1.00 0.90 H new ATOM 0 HD13 LEU A 117 60.346 3.845 0.623 1.00 0.90 H new ATOM 0 HD21 LEU A 117 58.945 4.313 3.309 1.00 1.53 H new ATOM 0 HD22 LEU A 117 59.854 5.538 2.393 1.00 1.53 H new ATOM 0 HD23 LEU A 117 58.172 5.857 2.878 1.00 1.53 H new ATOM 509 N LYS A 118 55.256 6.069 -0.713 1.00 0.52 N ATOM 510 CA LYS A 118 53.813 6.060 -0.352 1.00 0.63 C ATOM 511 C LYS A 118 53.061 5.069 -1.243 1.00 0.71 C ATOM 512 O LYS A 118 52.284 4.261 -0.774 1.00 0.83 O ATOM 513 CB LYS A 118 53.329 7.488 -0.608 1.00 0.68 C ATOM 514 CG LYS A 118 53.529 8.330 0.655 1.00 1.05 C ATOM 515 CD LYS A 118 52.587 9.536 0.621 1.00 1.33 C ATOM 516 CE LYS A 118 53.408 10.828 0.616 1.00 1.49 C ATOM 517 NZ LYS A 118 52.414 11.920 0.818 1.00 1.82 N ATOM 0 H LYS A 118 55.618 6.968 -1.030 1.00 0.52 H new ATOM 0 HA LYS A 118 53.644 5.756 0.681 1.00 0.63 H new ATOM 0 HB2 LYS A 118 53.879 7.926 -1.441 1.00 0.68 H new ATOM 0 HB3 LYS A 118 52.276 7.481 -0.890 1.00 0.68 H new ATOM 0 HG2 LYS A 118 53.333 7.727 1.541 1.00 1.05 H new ATOM 0 HG3 LYS A 118 54.564 8.666 0.721 1.00 1.05 H new ATOM 0 HD2 LYS A 118 51.955 9.492 -0.266 1.00 1.33 H new ATOM 0 HD3 LYS A 118 51.924 9.517 1.486 1.00 1.33 H new ATOM 0 HE2 LYS A 118 54.155 10.823 1.409 1.00 1.49 H new ATOM 0 HE3 LYS A 118 53.943 10.951 -0.325 1.00 1.49 H new ATOM 0 HZ1 LYS A 118 52.903 12.838 0.826 1.00 1.82 H new ATOM 0 HZ2 LYS A 118 51.719 11.905 0.044 1.00 1.82 H new ATOM 0 HZ3 LYS A 118 51.925 11.781 1.725 1.00 1.82 H new ATOM 531 N ILE A 119 53.291 5.123 -2.527 1.00 0.72 N ATOM 532 CA ILE A 119 52.596 4.182 -3.450 1.00 0.84 C ATOM 533 C ILE A 119 53.026 2.743 -3.149 1.00 0.86 C ATOM 534 O ILE A 119 52.234 1.824 -3.196 1.00 0.96 O ATOM 535 CB ILE A 119 53.045 4.599 -4.848 1.00 0.93 C ATOM 536 CG1 ILE A 119 52.277 5.853 -5.269 1.00 1.00 C ATOM 537 CG2 ILE A 119 52.758 3.472 -5.842 1.00 1.06 C ATOM 538 CD1 ILE A 119 53.144 6.685 -6.210 1.00 1.08 C ATOM 0 H ILE A 119 53.930 5.778 -2.976 1.00 0.72 H new ATOM 0 HA ILE A 119 51.512 4.218 -3.346 1.00 0.84 H new ATOM 0 HB ILE A 119 54.115 4.806 -4.838 1.00 0.93 H new ATOM 0 HG12 ILE A 119 51.347 5.574 -5.764 1.00 1.00 H new ATOM 0 HG13 ILE A 119 52.007 6.440 -4.391 1.00 1.00 H new ATOM 0 HG21 ILE A 119 53.080 3.775 -6.838 1.00 1.06 H new ATOM 0 HG22 ILE A 119 53.300 2.575 -5.542 1.00 1.06 H new ATOM 0 HG23 ILE A 119 51.689 3.262 -5.855 1.00 1.06 H new ATOM 0 HD11 ILE A 119 52.599 7.579 -6.512 1.00 1.08 H new ATOM 0 HD12 ILE A 119 54.062 6.975 -5.698 1.00 1.08 H new ATOM 0 HD13 ILE A 119 53.391 6.096 -7.093 1.00 1.08 H new ATOM 550 N MET A 120 54.278 2.546 -2.834 1.00 0.82 N ATOM 551 CA MET A 120 54.761 1.170 -2.525 1.00 0.92 C ATOM 552 C MET A 120 53.877 0.537 -1.448 1.00 0.92 C ATOM 553 O MET A 120 53.611 -0.648 -1.466 1.00 1.01 O ATOM 554 CB MET A 120 56.187 1.364 -2.006 1.00 0.96 C ATOM 555 CG MET A 120 56.636 0.106 -1.261 1.00 1.50 C ATOM 556 SD MET A 120 58.263 0.390 -0.520 1.00 2.13 S ATOM 557 CE MET A 120 59.253 -0.071 -1.963 1.00 2.73 C ATOM 0 H MET A 120 54.986 3.278 -2.777 1.00 0.82 H new ATOM 0 HA MET A 120 54.729 0.510 -3.392 1.00 0.92 H new ATOM 0 HB2 MET A 120 56.863 1.568 -2.837 1.00 0.96 H new ATOM 0 HB3 MET A 120 56.229 2.227 -1.342 1.00 0.96 H new ATOM 0 HG2 MET A 120 55.912 -0.149 -0.487 1.00 1.50 H new ATOM 0 HG3 MET A 120 56.680 -0.740 -1.947 1.00 1.50 H new ATOM 0 HE1 MET A 120 60.311 0.066 -1.737 1.00 2.73 H new ATOM 0 HE2 MET A 120 59.067 -1.116 -2.213 1.00 2.73 H new ATOM 0 HE3 MET A 120 58.978 0.559 -2.809 1.00 2.73 H new ATOM 567 N LEU A 121 53.417 1.323 -0.515 1.00 0.88 N ATOM 568 CA LEU A 121 52.545 0.774 0.562 1.00 0.96 C ATOM 569 C LEU A 121 51.120 0.605 0.040 1.00 0.99 C ATOM 570 O LEU A 121 50.413 -0.303 0.426 1.00 1.12 O ATOM 571 CB LEU A 121 52.570 1.818 1.673 1.00 0.98 C ATOM 572 CG LEU A 121 54.015 2.211 1.987 1.00 1.19 C ATOM 573 CD1 LEU A 121 54.021 3.429 2.910 1.00 1.51 C ATOM 574 CD2 LEU A 121 54.721 1.044 2.679 1.00 1.81 C ATOM 0 H LEU A 121 53.607 2.323 -0.451 1.00 0.88 H new ATOM 0 HA LEU A 121 52.888 -0.201 0.909 1.00 0.96 H new ATOM 0 HB2 LEU A 121 52.003 2.698 1.370 1.00 0.98 H new ATOM 0 HB3 LEU A 121 52.089 1.421 2.567 1.00 0.98 H new ATOM 0 HG LEU A 121 54.536 2.454 1.061 1.00 1.19 H new ATOM 0 HD11 LEU A 121 55.050 3.710 3.135 1.00 1.51 H new ATOM 0 HD12 LEU A 121 53.517 4.261 2.418 1.00 1.51 H new ATOM 0 HD13 LEU A 121 53.501 3.186 3.836 1.00 1.51 H new ATOM 0 HD21 LEU A 121 55.751 1.323 2.903 1.00 1.81 H new ATOM 0 HD22 LEU A 121 54.201 0.802 3.606 1.00 1.81 H new ATOM 0 HD23 LEU A 121 54.716 0.174 2.022 1.00 1.81 H new ATOM 586 N GLN A 122 50.694 1.473 -0.837 1.00 0.95 N ATOM 587 CA GLN A 122 49.316 1.349 -1.385 1.00 1.05 C ATOM 588 C GLN A 122 49.213 0.055 -2.185 1.00 1.12 C ATOM 589 O GLN A 122 48.163 -0.551 -2.282 1.00 1.24 O ATOM 590 CB GLN A 122 49.129 2.567 -2.290 1.00 1.07 C ATOM 591 CG GLN A 122 48.204 3.572 -1.602 1.00 1.49 C ATOM 592 CD GLN A 122 48.784 4.980 -1.740 1.00 1.51 C ATOM 593 OE1 GLN A 122 49.110 5.616 -0.758 1.00 2.24 O ATOM 594 NE2 GLN A 122 48.926 5.499 -2.930 1.00 1.52 N ATOM 0 H GLN A 122 51.238 2.258 -1.195 1.00 0.95 H new ATOM 0 HA GLN A 122 48.552 1.316 -0.608 1.00 1.05 H new ATOM 0 HB2 GLN A 122 50.094 3.029 -2.501 1.00 1.07 H new ATOM 0 HB3 GLN A 122 48.705 2.262 -3.247 1.00 1.07 H new ATOM 0 HG2 GLN A 122 47.210 3.532 -2.048 1.00 1.49 H new ATOM 0 HG3 GLN A 122 48.091 3.316 -0.549 1.00 1.49 H new ATOM 0 HE21 GLN A 122 48.652 4.965 -3.755 1.00 1.52 H new ATOM 0 HE22 GLN A 122 49.311 6.438 -3.034 1.00 1.52 H new ATOM 603 N ALA A 123 50.306 -0.384 -2.745 1.00 1.11 N ATOM 604 CA ALA A 123 50.288 -1.651 -3.523 1.00 1.26 C ATOM 605 C ALA A 123 50.171 -2.828 -2.556 1.00 1.39 C ATOM 606 O ALA A 123 49.783 -3.918 -2.928 1.00 1.55 O ATOM 607 CB ALA A 123 51.630 -1.687 -4.256 1.00 1.31 C ATOM 0 H ALA A 123 51.212 0.082 -2.696 1.00 1.11 H new ATOM 0 HA ALA A 123 49.452 -1.711 -4.219 1.00 1.26 H new ATOM 0 HB1 ALA A 123 51.693 -2.596 -4.854 1.00 1.31 H new ATOM 0 HB2 ALA A 123 51.712 -0.817 -4.908 1.00 1.31 H new ATOM 0 HB3 ALA A 123 52.442 -1.674 -3.529 1.00 1.31 H new ATOM 682 N THR A 129 48.258 7.135 6.470 1.00 1.18 N ATOM 683 CA THR A 129 48.446 8.428 5.753 1.00 1.21 C ATOM 684 C THR A 129 49.841 8.992 6.040 1.00 1.10 C ATOM 685 O THR A 129 50.753 8.269 6.389 1.00 1.04 O ATOM 686 CB THR A 129 47.364 9.354 6.313 1.00 1.37 C ATOM 687 OG1 THR A 129 47.610 9.587 7.692 1.00 1.63 O ATOM 688 CG2 THR A 129 45.991 8.700 6.139 1.00 1.63 C ATOM 0 HA THR A 129 48.365 8.317 4.672 1.00 1.21 H new ATOM 0 HB THR A 129 47.382 10.302 5.776 1.00 1.37 H new ATOM 0 HG1 THR A 129 47.816 8.738 8.136 1.00 1.63 H new ATOM 0 HG21 THR A 129 45.221 9.360 6.538 1.00 1.63 H new ATOM 0 HG22 THR A 129 45.804 8.523 5.080 1.00 1.63 H new ATOM 0 HG23 THR A 129 45.969 7.751 6.675 1.00 1.63 H new ATOM 696 N GLU A 130 50.012 10.277 5.895 1.00 1.13 N ATOM 697 CA GLU A 130 51.348 10.885 6.159 1.00 1.09 C ATOM 698 C GLU A 130 51.734 10.699 7.628 1.00 1.03 C ATOM 699 O GLU A 130 52.872 10.891 8.009 1.00 0.98 O ATOM 700 CB GLU A 130 51.177 12.369 5.832 1.00 1.23 C ATOM 701 CG GLU A 130 51.242 12.569 4.317 1.00 1.68 C ATOM 702 CD GLU A 130 50.261 13.668 3.906 1.00 2.20 C ATOM 703 OE1 GLU A 130 50.631 14.827 3.994 1.00 2.77 O ATOM 704 OE2 GLU A 130 49.157 13.333 3.512 1.00 2.66 O ATOM 0 H GLU A 130 49.286 10.932 5.606 1.00 1.13 H new ATOM 0 HA GLU A 130 52.137 10.424 5.565 1.00 1.09 H new ATOM 0 HB2 GLU A 130 50.223 12.729 6.216 1.00 1.23 H new ATOM 0 HB3 GLU A 130 51.958 12.952 6.320 1.00 1.23 H new ATOM 0 HG2 GLU A 130 52.255 12.840 4.018 1.00 1.68 H new ATOM 0 HG3 GLU A 130 50.997 11.638 3.806 1.00 1.68 H new ATOM 711 N ASP A 131 50.797 10.328 8.456 1.00 1.08 N ATOM 712 CA ASP A 131 51.115 10.133 9.900 1.00 1.10 C ATOM 713 C ASP A 131 51.763 8.763 10.119 1.00 0.95 C ATOM 714 O ASP A 131 52.701 8.625 10.878 1.00 0.88 O ATOM 715 CB ASP A 131 49.767 10.208 10.617 1.00 1.27 C ATOM 716 CG ASP A 131 49.803 11.327 11.658 1.00 1.65 C ATOM 717 OD1 ASP A 131 50.887 11.646 12.119 1.00 2.28 O ATOM 718 OD2 ASP A 131 48.747 11.846 11.979 1.00 2.09 O ATOM 0 H ASP A 131 49.826 10.152 8.197 1.00 1.08 H new ATOM 0 HA ASP A 131 51.817 10.880 10.272 1.00 1.10 H new ATOM 0 HB2 ASP A 131 48.970 10.393 9.897 1.00 1.27 H new ATOM 0 HB3 ASP A 131 49.546 9.256 11.099 1.00 1.27 H new ATOM 723 N ASP A 132 51.268 7.750 9.462 1.00 0.96 N ATOM 724 CA ASP A 132 51.857 6.391 9.636 1.00 0.88 C ATOM 725 C ASP A 132 52.997 6.176 8.639 1.00 0.76 C ATOM 726 O ASP A 132 53.730 5.209 8.717 1.00 0.72 O ATOM 727 CB ASP A 132 50.706 5.424 9.356 1.00 0.99 C ATOM 728 CG ASP A 132 50.150 4.894 10.678 1.00 1.31 C ATOM 729 OD1 ASP A 132 49.440 5.635 11.338 1.00 1.95 O ATOM 730 OD2 ASP A 132 50.443 3.757 11.008 1.00 1.70 O ATOM 0 H ASP A 132 50.483 7.804 8.813 1.00 0.96 H new ATOM 0 HA ASP A 132 52.278 6.246 10.631 1.00 0.88 H new ATOM 0 HB2 ASP A 132 49.920 5.930 8.796 1.00 0.99 H new ATOM 0 HB3 ASP A 132 51.055 4.596 8.738 1.00 0.99 H new ATOM 735 N ILE A 133 53.156 7.071 7.702 1.00 0.78 N ATOM 736 CA ILE A 133 54.250 6.919 6.701 1.00 0.73 C ATOM 737 C ILE A 133 55.416 7.850 7.045 1.00 0.66 C ATOM 738 O ILE A 133 56.567 7.523 6.835 1.00 0.63 O ATOM 739 CB ILE A 133 53.623 7.315 5.366 1.00 0.84 C ATOM 740 CG1 ILE A 133 52.514 6.322 5.011 1.00 0.91 C ATOM 741 CG2 ILE A 133 54.693 7.296 4.274 1.00 1.14 C ATOM 742 CD1 ILE A 133 51.914 6.690 3.654 1.00 0.96 C ATOM 0 H ILE A 133 52.575 7.901 7.587 1.00 0.78 H new ATOM 0 HA ILE A 133 54.650 5.905 6.678 1.00 0.73 H new ATOM 0 HB ILE A 133 53.203 8.318 5.444 1.00 0.84 H new ATOM 0 HG12 ILE A 133 52.915 5.309 4.980 1.00 0.91 H new ATOM 0 HG13 ILE A 133 51.740 6.336 5.778 1.00 0.91 H new ATOM 0 HG21 ILE A 133 54.245 7.579 3.321 1.00 1.14 H new ATOM 0 HG22 ILE A 133 55.484 8.002 4.527 1.00 1.14 H new ATOM 0 HG23 ILE A 133 55.114 6.294 4.194 1.00 1.14 H new ATOM 0 HD11 ILE A 133 51.124 5.983 3.401 1.00 0.96 H new ATOM 0 HD12 ILE A 133 51.498 7.696 3.701 1.00 0.96 H new ATOM 0 HD13 ILE A 133 52.691 6.654 2.891 1.00 0.96 H new ATOM 754 N GLU A 134 55.127 9.007 7.575 1.00 0.73 N ATOM 755 CA GLU A 134 56.221 9.956 7.933 1.00 0.77 C ATOM 756 C GLU A 134 57.221 9.275 8.868 1.00 0.70 C ATOM 757 O GLU A 134 58.405 9.548 8.833 1.00 0.68 O ATOM 758 CB GLU A 134 55.524 11.114 8.646 1.00 0.96 C ATOM 759 CG GLU A 134 55.134 12.184 7.624 1.00 0.95 C ATOM 760 CD GLU A 134 54.434 13.341 8.338 1.00 1.60 C ATOM 761 OE1 GLU A 134 53.252 13.215 8.611 1.00 2.27 O ATOM 762 OE2 GLU A 134 55.093 14.335 8.601 1.00 2.07 O ATOM 0 H GLU A 134 54.183 9.336 7.776 1.00 0.73 H new ATOM 0 HA GLU A 134 56.779 10.293 7.060 1.00 0.77 H new ATOM 0 HB2 GLU A 134 54.637 10.753 9.167 1.00 0.96 H new ATOM 0 HB3 GLU A 134 56.185 11.541 9.401 1.00 0.96 H new ATOM 0 HG2 GLU A 134 56.021 12.547 7.105 1.00 0.95 H new ATOM 0 HG3 GLU A 134 54.475 11.757 6.868 1.00 0.95 H new ATOM 769 N GLU A 135 56.756 8.387 9.703 1.00 0.74 N ATOM 770 CA GLU A 135 57.680 7.685 10.637 1.00 0.76 C ATOM 771 C GLU A 135 58.282 6.456 9.952 1.00 0.66 C ATOM 772 O GLU A 135 59.459 6.177 10.075 1.00 0.74 O ATOM 773 CB GLU A 135 56.804 7.265 11.818 1.00 0.88 C ATOM 774 CG GLU A 135 57.644 6.467 12.818 1.00 1.20 C ATOM 775 CD GLU A 135 57.512 7.092 14.208 1.00 1.48 C ATOM 776 OE1 GLU A 135 57.411 8.306 14.283 1.00 2.16 O ATOM 777 OE2 GLU A 135 57.512 6.347 15.174 1.00 1.95 O ATOM 0 H GLU A 135 55.775 8.117 9.779 1.00 0.74 H new ATOM 0 HA GLU A 135 58.512 8.316 10.951 1.00 0.76 H new ATOM 0 HB2 GLU A 135 56.382 8.145 12.302 1.00 0.88 H new ATOM 0 HB3 GLU A 135 55.967 6.662 11.467 1.00 0.88 H new ATOM 0 HG2 GLU A 135 57.312 5.429 12.841 1.00 1.20 H new ATOM 0 HG3 GLU A 135 58.689 6.461 12.508 1.00 1.20 H new ATOM 784 N LEU A 136 57.484 5.721 9.226 1.00 0.62 N ATOM 785 CA LEU A 136 58.009 4.513 8.529 1.00 0.66 C ATOM 786 C LEU A 136 59.275 4.870 7.745 1.00 0.61 C ATOM 787 O LEU A 136 60.285 4.203 7.843 1.00 0.70 O ATOM 788 CB LEU A 136 56.891 4.087 7.578 1.00 0.77 C ATOM 789 CG LEU A 136 56.179 2.858 8.144 1.00 0.86 C ATOM 790 CD1 LEU A 136 57.094 1.638 8.031 1.00 1.63 C ATOM 791 CD2 LEU A 136 55.834 3.101 9.615 1.00 1.38 C ATOM 0 H LEU A 136 56.491 5.905 9.086 1.00 0.62 H new ATOM 0 HA LEU A 136 58.277 3.716 9.223 1.00 0.66 H new ATOM 0 HB2 LEU A 136 56.181 4.903 7.446 1.00 0.77 H new ATOM 0 HB3 LEU A 136 57.303 3.861 6.594 1.00 0.77 H new ATOM 0 HG LEU A 136 55.264 2.678 7.580 1.00 0.86 H new ATOM 0 HD11 LEU A 136 56.585 0.763 8.435 1.00 1.63 H new ATOM 0 HD12 LEU A 136 57.340 1.463 6.984 1.00 1.63 H new ATOM 0 HD13 LEU A 136 58.010 1.817 8.594 1.00 1.63 H new ATOM 0 HD21 LEU A 136 55.326 2.225 10.019 1.00 1.38 H new ATOM 0 HD22 LEU A 136 56.749 3.282 10.178 1.00 1.38 H new ATOM 0 HD23 LEU A 136 55.180 3.969 9.697 1.00 1.38 H new ATOM 803 N MET A 137 59.227 5.920 6.972 1.00 0.55 N ATOM 804 CA MET A 137 60.428 6.321 6.186 1.00 0.59 C ATOM 805 C MET A 137 61.493 6.907 7.116 1.00 0.65 C ATOM 806 O MET A 137 62.667 6.619 6.992 1.00 0.81 O ATOM 807 CB MET A 137 59.926 7.382 5.206 1.00 0.60 C ATOM 808 CG MET A 137 61.115 8.149 4.627 1.00 0.96 C ATOM 809 SD MET A 137 62.334 6.975 3.984 1.00 1.23 S ATOM 810 CE MET A 137 61.799 7.021 2.257 1.00 1.35 C ATOM 0 H MET A 137 58.409 6.517 6.851 1.00 0.55 H new ATOM 0 HA MET A 137 60.886 5.477 5.670 1.00 0.59 H new ATOM 0 HB2 MET A 137 59.359 6.911 4.403 1.00 0.60 H new ATOM 0 HB3 MET A 137 59.249 8.069 5.714 1.00 0.60 H new ATOM 0 HG2 MET A 137 60.780 8.814 3.831 1.00 0.96 H new ATOM 0 HG3 MET A 137 61.567 8.775 5.396 1.00 0.96 H new ATOM 0 HE1 MET A 137 61.700 6.003 1.880 1.00 1.35 H new ATOM 0 HE2 MET A 137 60.837 7.529 2.187 1.00 1.35 H new ATOM 0 HE3 MET A 137 62.537 7.558 1.662 1.00 1.35 H new ATOM 820 N LYS A 138 61.091 7.726 8.050 1.00 0.62 N ATOM 821 CA LYS A 138 62.081 8.328 8.989 1.00 0.79 C ATOM 822 C LYS A 138 63.064 7.260 9.475 1.00 0.86 C ATOM 823 O LYS A 138 64.247 7.504 9.606 1.00 1.16 O ATOM 824 CB LYS A 138 61.247 8.860 10.156 1.00 0.87 C ATOM 825 CG LYS A 138 60.920 10.336 9.918 1.00 1.55 C ATOM 826 CD LYS A 138 60.093 10.872 11.089 1.00 2.07 C ATOM 827 CE LYS A 138 59.175 11.993 10.596 1.00 2.85 C ATOM 828 NZ LYS A 138 60.063 13.180 10.447 1.00 3.36 N ATOM 0 H LYS A 138 60.122 8.004 8.203 1.00 0.62 H new ATOM 0 HA LYS A 138 62.672 9.114 8.519 1.00 0.79 H new ATOM 0 HB2 LYS A 138 60.327 8.284 10.252 1.00 0.87 H new ATOM 0 HB3 LYS A 138 61.795 8.744 11.091 1.00 0.87 H new ATOM 0 HG2 LYS A 138 61.840 10.911 9.816 1.00 1.55 H new ATOM 0 HG3 LYS A 138 60.367 10.451 8.986 1.00 1.55 H new ATOM 0 HD2 LYS A 138 59.501 10.069 11.527 1.00 2.07 H new ATOM 0 HD3 LYS A 138 60.752 11.246 11.872 1.00 2.07 H new ATOM 0 HE2 LYS A 138 58.705 11.730 9.648 1.00 2.85 H new ATOM 0 HE3 LYS A 138 58.372 12.187 11.307 1.00 2.85 H new ATOM 0 HZ1 LYS A 138 59.697 13.962 11.027 1.00 3.36 H new ATOM 0 HZ2 LYS A 138 61.024 12.936 10.761 1.00 3.36 H new ATOM 0 HZ3 LYS A 138 60.088 13.471 9.449 1.00 3.36 H new ATOM 842 N ASP A 139 62.583 6.076 9.742 1.00 0.71 N ATOM 843 CA ASP A 139 63.489 4.992 10.217 1.00 0.85 C ATOM 844 C ASP A 139 64.130 4.279 9.024 1.00 0.85 C ATOM 845 O ASP A 139 65.309 3.987 9.024 1.00 1.02 O ATOM 846 CB ASP A 139 62.585 4.032 10.993 1.00 0.97 C ATOM 847 CG ASP A 139 63.431 3.210 11.968 1.00 1.50 C ATOM 848 OD1 ASP A 139 64.506 3.669 12.319 1.00 1.80 O ATOM 849 OD2 ASP A 139 62.989 2.139 12.346 1.00 2.33 O ATOM 0 H ASP A 139 61.602 5.813 9.652 1.00 0.71 H new ATOM 0 HA ASP A 139 64.303 5.374 10.834 1.00 0.85 H new ATOM 0 HB2 ASP A 139 61.824 4.592 11.537 1.00 0.97 H new ATOM 0 HB3 ASP A 139 62.061 3.371 10.303 1.00 0.97 H new ATOM 854 N GLY A 140 63.362 3.996 8.008 1.00 0.81 N ATOM 855 CA GLY A 140 63.928 3.304 6.817 1.00 0.86 C ATOM 856 C GLY A 140 65.191 4.035 6.358 1.00 0.77 C ATOM 857 O GLY A 140 66.056 3.463 5.725 1.00 0.86 O ATOM 0 H GLY A 140 62.367 4.214 7.952 1.00 0.81 H new ATOM 0 HA2 GLY A 140 64.163 2.268 7.062 1.00 0.86 H new ATOM 0 HA3 GLY A 140 63.194 3.283 6.012 1.00 0.86 H new ATOM 861 N ASP A 141 65.303 5.296 6.674 1.00 0.70 N ATOM 862 CA ASP A 141 66.511 6.064 6.257 1.00 0.66 C ATOM 863 C ASP A 141 67.626 5.904 7.293 1.00 0.74 C ATOM 864 O ASP A 141 67.702 6.641 8.257 1.00 0.87 O ATOM 865 CB ASP A 141 66.048 7.520 6.187 1.00 0.66 C ATOM 866 CG ASP A 141 66.616 8.177 4.929 1.00 0.76 C ATOM 867 OD1 ASP A 141 67.616 7.688 4.429 1.00 0.92 O ATOM 868 OD2 ASP A 141 66.041 9.157 4.485 1.00 0.83 O ATOM 0 H ASP A 141 64.611 5.828 7.202 1.00 0.70 H new ATOM 0 HA ASP A 141 66.913 5.717 5.305 1.00 0.66 H new ATOM 0 HB2 ASP A 141 64.959 7.566 6.174 1.00 0.66 H new ATOM 0 HB3 ASP A 141 66.379 8.061 7.074 1.00 0.66 H new ATOM 873 N LYS A 142 68.494 4.947 7.104 1.00 0.75 N ATOM 874 CA LYS A 142 69.604 4.746 8.080 1.00 0.87 C ATOM 875 C LYS A 142 70.521 5.972 8.096 1.00 0.89 C ATOM 876 O LYS A 142 71.346 6.130 8.974 1.00 1.05 O ATOM 877 CB LYS A 142 70.361 3.516 7.574 1.00 0.89 C ATOM 878 CG LYS A 142 70.860 2.696 8.765 1.00 1.24 C ATOM 879 CD LYS A 142 72.357 2.421 8.607 1.00 1.26 C ATOM 880 CE LYS A 142 72.563 1.232 7.666 1.00 1.55 C ATOM 881 NZ LYS A 142 73.160 1.817 6.433 1.00 1.99 N ATOM 0 H LYS A 142 68.483 4.297 6.318 1.00 0.75 H new ATOM 0 HA LYS A 142 69.239 4.608 9.098 1.00 0.87 H new ATOM 0 HB2 LYS A 142 69.709 2.907 6.948 1.00 0.89 H new ATOM 0 HB3 LYS A 142 71.202 3.824 6.953 1.00 0.89 H new ATOM 0 HG2 LYS A 142 70.675 3.235 9.694 1.00 1.24 H new ATOM 0 HG3 LYS A 142 70.312 1.756 8.828 1.00 1.24 H new ATOM 0 HD2 LYS A 142 72.859 3.303 8.210 1.00 1.26 H new ATOM 0 HD3 LYS A 142 72.803 2.210 9.579 1.00 1.26 H new ATOM 0 HE2 LYS A 142 73.224 0.487 8.110 1.00 1.55 H new ATOM 0 HE3 LYS A 142 71.619 0.732 7.449 1.00 1.55 H new ATOM 0 HZ1 LYS A 142 73.471 1.052 5.801 1.00 1.99 H new ATOM 0 HZ2 LYS A 142 72.450 2.401 5.947 1.00 1.99 H new ATOM 0 HZ3 LYS A 142 73.977 2.408 6.689 1.00 1.99 H new ATOM 895 N ASN A 143 70.380 6.842 7.134 1.00 0.85 N ATOM 896 CA ASN A 143 71.242 8.057 7.095 1.00 1.05 C ATOM 897 C ASN A 143 70.370 9.314 7.054 1.00 1.07 C ATOM 898 O ASN A 143 70.855 10.424 7.157 1.00 1.56 O ATOM 899 CB ASN A 143 72.055 7.928 5.807 1.00 1.08 C ATOM 900 CG ASN A 143 71.112 7.955 4.603 1.00 1.05 C ATOM 901 OD1 ASN A 143 69.913 8.073 4.759 1.00 0.98 O ATOM 902 ND2 ASN A 143 71.606 7.852 3.400 1.00 1.48 N ATOM 0 H ASN A 143 69.705 6.764 6.373 1.00 0.85 H new ATOM 0 HA ASN A 143 71.883 8.139 7.973 1.00 1.05 H new ATOM 0 HB2 ASN A 143 72.776 8.743 5.736 1.00 1.08 H new ATOM 0 HB3 ASN A 143 72.624 6.999 5.815 1.00 1.08 H new ATOM 0 HD21 ASN A 143 70.986 7.871 2.591 1.00 1.48 H new ATOM 0 HD22 ASN A 143 72.613 7.753 3.269 1.00 1.48 H new ATOM 909 N ASN A 144 69.085 9.147 6.903 1.00 0.78 N ATOM 910 CA ASN A 144 68.179 10.329 6.856 1.00 0.82 C ATOM 911 C ASN A 144 68.669 11.332 5.808 1.00 0.82 C ATOM 912 O ASN A 144 69.073 12.431 6.129 1.00 0.92 O ATOM 913 CB ASN A 144 68.253 10.939 8.255 1.00 0.95 C ATOM 914 CG ASN A 144 67.507 10.042 9.245 1.00 1.47 C ATOM 915 OD1 ASN A 144 66.516 10.443 9.820 1.00 2.28 O ATOM 916 ND2 ASN A 144 67.947 8.834 9.468 1.00 1.93 N ATOM 0 H ASN A 144 68.623 8.242 6.810 1.00 0.78 H new ATOM 0 HA ASN A 144 67.160 10.057 6.582 1.00 0.82 H new ATOM 0 HB2 ASN A 144 69.294 11.049 8.561 1.00 0.95 H new ATOM 0 HB3 ASN A 144 67.815 11.937 8.251 1.00 0.95 H new ATOM 0 HD21 ASN A 144 67.458 8.226 10.126 1.00 1.93 H new ATOM 0 HD22 ASN A 144 68.780 8.497 8.985 1.00 1.93 H new ATOM 923 N ASP A 145 68.637 10.962 4.557 1.00 0.75 N ATOM 924 CA ASP A 145 69.102 11.897 3.493 1.00 0.78 C ATOM 925 C ASP A 145 67.922 12.346 2.627 1.00 0.74 C ATOM 926 O ASP A 145 67.964 13.383 1.994 1.00 0.81 O ATOM 927 CB ASP A 145 70.098 11.086 2.664 1.00 0.76 C ATOM 928 CG ASP A 145 69.354 9.988 1.903 1.00 1.12 C ATOM 929 OD1 ASP A 145 68.895 9.058 2.544 1.00 1.72 O ATOM 930 OD2 ASP A 145 69.256 10.096 0.692 1.00 1.85 O ATOM 0 H ASP A 145 68.310 10.054 4.226 1.00 0.75 H new ATOM 0 HA ASP A 145 69.552 12.800 3.905 1.00 0.78 H new ATOM 0 HB2 ASP A 145 70.621 11.738 1.964 1.00 0.76 H new ATOM 0 HB3 ASP A 145 70.854 10.645 3.314 1.00 0.76 H new ATOM 935 N GLY A 146 66.870 11.576 2.594 1.00 0.69 N ATOM 936 CA GLY A 146 65.690 11.961 1.769 1.00 0.70 C ATOM 937 C GLY A 146 65.330 10.815 0.822 1.00 0.58 C ATOM 938 O GLY A 146 64.177 10.459 0.676 1.00 0.62 O ATOM 0 H GLY A 146 66.776 10.697 3.102 1.00 0.69 H new ATOM 0 HA2 GLY A 146 64.843 12.193 2.414 1.00 0.70 H new ATOM 0 HA3 GLY A 146 65.912 12.862 1.198 1.00 0.70 H new ATOM 942 N ARG A 147 66.303 10.234 0.177 1.00 0.54 N ATOM 943 CA ARG A 147 66.004 9.110 -0.759 1.00 0.49 C ATOM 944 C ARG A 147 66.598 7.805 -0.229 1.00 0.44 C ATOM 945 O ARG A 147 67.597 7.797 0.461 1.00 0.56 O ATOM 946 CB ARG A 147 66.666 9.492 -2.085 1.00 0.57 C ATOM 947 CG ARG A 147 66.436 10.975 -2.373 1.00 0.78 C ATOM 948 CD ARG A 147 66.723 11.257 -3.850 1.00 0.73 C ATOM 949 NE ARG A 147 65.634 12.176 -4.284 1.00 1.07 N ATOM 950 CZ ARG A 147 64.921 11.890 -5.338 1.00 1.60 C ATOM 951 NH1 ARG A 147 64.373 10.712 -5.453 1.00 2.32 N ATOM 952 NH2 ARG A 147 64.755 12.783 -6.275 1.00 2.22 N ATOM 0 H ARG A 147 67.288 10.486 0.256 1.00 0.54 H new ATOM 0 HA ARG A 147 64.931 8.954 -0.872 1.00 0.49 H new ATOM 0 HB2 ARG A 147 67.735 9.283 -2.041 1.00 0.57 H new ATOM 0 HB3 ARG A 147 66.255 8.888 -2.894 1.00 0.57 H new ATOM 0 HG2 ARG A 147 65.409 11.248 -2.132 1.00 0.78 H new ATOM 0 HG3 ARG A 147 67.084 11.584 -1.743 1.00 0.78 H new ATOM 0 HD2 ARG A 147 67.703 11.716 -3.981 1.00 0.73 H new ATOM 0 HD3 ARG A 147 66.721 10.338 -4.435 1.00 0.73 H new ATOM 0 HE ARG A 147 65.446 13.029 -3.757 1.00 1.07 H new ATOM 0 HH11 ARG A 147 64.502 10.016 -4.719 1.00 2.32 H new ATOM 0 HH12 ARG A 147 63.815 10.487 -6.277 1.00 2.32 H new ATOM 0 HH21 ARG A 147 65.183 13.704 -6.183 1.00 2.22 H new ATOM 0 HH22 ARG A 147 64.197 12.560 -7.099 1.00 2.22 H new ATOM 966 N ILE A 148 65.991 6.698 -0.555 1.00 0.35 N ATOM 967 CA ILE A 148 66.517 5.386 -0.083 1.00 0.36 C ATOM 968 C ILE A 148 67.217 4.667 -1.242 1.00 0.40 C ATOM 969 O ILE A 148 66.814 4.772 -2.383 1.00 0.41 O ATOM 970 CB ILE A 148 65.276 4.616 0.387 1.00 0.35 C ATOM 971 CG1 ILE A 148 64.971 4.988 1.840 1.00 0.40 C ATOM 972 CG2 ILE A 148 65.522 3.108 0.291 1.00 0.43 C ATOM 973 CD1 ILE A 148 63.776 4.170 2.336 1.00 0.40 C ATOM 0 H ILE A 148 65.150 6.645 -1.130 1.00 0.35 H new ATOM 0 HA ILE A 148 67.252 5.480 0.716 1.00 0.36 H new ATOM 0 HB ILE A 148 64.431 4.879 -0.249 1.00 0.35 H new ATOM 0 HG12 ILE A 148 65.842 4.796 2.466 1.00 0.40 H new ATOM 0 HG13 ILE A 148 64.753 6.053 1.916 1.00 0.40 H new ATOM 0 HG21 ILE A 148 64.634 2.572 0.627 1.00 0.43 H new ATOM 0 HG22 ILE A 148 65.738 2.840 -0.743 1.00 0.43 H new ATOM 0 HG23 ILE A 148 66.370 2.837 0.921 1.00 0.43 H new ATOM 0 HD11 ILE A 148 63.558 4.435 3.371 1.00 0.40 H new ATOM 0 HD12 ILE A 148 62.906 4.385 1.716 1.00 0.40 H new ATOM 0 HD13 ILE A 148 64.012 3.108 2.275 1.00 0.40 H new ATOM 985 N ASP A 149 68.265 3.941 -0.960 1.00 0.47 N ATOM 986 CA ASP A 149 68.986 3.223 -2.051 1.00 0.55 C ATOM 987 C ASP A 149 68.952 1.709 -1.813 1.00 0.58 C ATOM 988 O ASP A 149 68.305 1.228 -0.904 1.00 0.54 O ATOM 989 CB ASP A 149 70.423 3.753 -2.000 1.00 0.65 C ATOM 990 CG ASP A 149 71.112 3.267 -0.724 1.00 1.32 C ATOM 991 OD1 ASP A 149 70.601 3.548 0.346 1.00 2.00 O ATOM 992 OD2 ASP A 149 72.144 2.627 -0.840 1.00 2.16 O ATOM 0 H ASP A 149 68.652 3.814 -0.025 1.00 0.47 H new ATOM 0 HA ASP A 149 68.528 3.393 -3.025 1.00 0.55 H new ATOM 0 HB2 ASP A 149 70.977 3.412 -2.875 1.00 0.65 H new ATOM 0 HB3 ASP A 149 70.419 4.843 -2.029 1.00 0.65 H new ATOM 997 N TYR A 150 69.635 0.957 -2.632 1.00 0.67 N ATOM 998 CA TYR A 150 69.636 -0.527 -2.467 1.00 0.73 C ATOM 999 C TYR A 150 70.387 -0.935 -1.196 1.00 0.75 C ATOM 1000 O TYR A 150 70.447 -2.098 -0.848 1.00 0.76 O ATOM 1001 CB TYR A 150 70.355 -1.057 -3.708 1.00 0.84 C ATOM 1002 CG TYR A 150 70.135 -2.546 -3.817 1.00 0.97 C ATOM 1003 CD1 TYR A 150 68.848 -3.074 -3.671 1.00 1.74 C ATOM 1004 CD2 TYR A 150 71.218 -3.399 -4.063 1.00 1.63 C ATOM 1005 CE1 TYR A 150 68.642 -4.455 -3.771 1.00 2.14 C ATOM 1006 CE2 TYR A 150 71.013 -4.781 -4.163 1.00 2.06 C ATOM 1007 CZ TYR A 150 69.724 -5.309 -4.015 1.00 2.02 C ATOM 1008 OH TYR A 150 69.523 -6.670 -4.114 1.00 2.63 O ATOM 0 H TYR A 150 70.194 1.306 -3.411 1.00 0.67 H new ATOM 0 HA TYR A 150 68.627 -0.927 -2.370 1.00 0.73 H new ATOM 0 HB2 TYR A 150 69.980 -0.557 -4.601 1.00 0.84 H new ATOM 0 HB3 TYR A 150 71.421 -0.839 -3.645 1.00 0.84 H new ATOM 0 HD1 TYR A 150 68.013 -2.416 -3.481 1.00 1.74 H new ATOM 0 HD2 TYR A 150 72.212 -2.991 -4.176 1.00 1.63 H new ATOM 0 HE1 TYR A 150 67.648 -4.862 -3.660 1.00 2.14 H new ATOM 0 HE2 TYR A 150 71.848 -5.439 -4.354 1.00 2.06 H new ATOM 0 HH TYR A 150 70.379 -7.115 -4.286 1.00 2.63 H new ATOM 1018 N ASP A 151 70.961 0.005 -0.499 1.00 0.78 N ATOM 1019 CA ASP A 151 71.704 -0.344 0.747 1.00 0.82 C ATOM 1020 C ASP A 151 70.820 -0.104 1.974 1.00 0.74 C ATOM 1021 O ASP A 151 70.567 -1.002 2.754 1.00 0.76 O ATOM 1022 CB ASP A 151 72.911 0.595 0.764 1.00 0.87 C ATOM 1023 CG ASP A 151 73.627 0.530 -0.586 1.00 1.31 C ATOM 1024 OD1 ASP A 151 73.283 -0.332 -1.377 1.00 1.67 O ATOM 1025 OD2 ASP A 151 74.509 1.344 -0.807 1.00 2.08 O ATOM 0 H ASP A 151 70.949 0.997 -0.736 1.00 0.78 H new ATOM 0 HA ASP A 151 72.002 -1.392 0.771 1.00 0.82 H new ATOM 0 HB2 ASP A 151 72.588 1.616 0.968 1.00 0.87 H new ATOM 0 HB3 ASP A 151 73.595 0.311 1.564 1.00 0.87 H new ATOM 1030 N GLU A 152 70.349 1.099 2.151 1.00 0.67 N ATOM 1031 CA GLU A 152 69.481 1.397 3.325 1.00 0.61 C ATOM 1032 C GLU A 152 68.132 0.690 3.177 1.00 0.58 C ATOM 1033 O GLU A 152 67.489 0.348 4.149 1.00 0.58 O ATOM 1034 CB GLU A 152 69.297 2.915 3.308 1.00 0.59 C ATOM 1035 CG GLU A 152 70.667 3.598 3.298 1.00 0.76 C ATOM 1036 CD GLU A 152 70.480 5.117 3.287 1.00 0.75 C ATOM 1037 OE1 GLU A 152 69.998 5.642 4.277 1.00 1.20 O ATOM 1038 OE2 GLU A 152 70.822 5.728 2.288 1.00 1.39 O ATOM 0 H GLU A 152 70.528 1.890 1.532 1.00 0.67 H new ATOM 0 HA GLU A 152 69.919 1.051 4.261 1.00 0.61 H new ATOM 0 HB2 GLU A 152 68.725 3.212 2.429 1.00 0.59 H new ATOM 0 HB3 GLU A 152 68.728 3.232 4.182 1.00 0.59 H new ATOM 0 HG2 GLU A 152 71.241 3.298 4.175 1.00 0.76 H new ATOM 0 HG3 GLU A 152 71.235 3.284 2.422 1.00 0.76 H new ATOM 1045 N PHE A 153 67.698 0.467 1.966 1.00 0.60 N ATOM 1046 CA PHE A 153 66.391 -0.220 1.757 1.00 0.61 C ATOM 1047 C PHE A 153 66.458 -1.652 2.292 1.00 0.66 C ATOM 1048 O PHE A 153 65.448 -2.285 2.531 1.00 0.71 O ATOM 1049 CB PHE A 153 66.184 -0.223 0.243 1.00 0.64 C ATOM 1050 CG PHE A 153 64.989 -1.081 -0.099 1.00 0.68 C ATOM 1051 CD1 PHE A 153 65.156 -2.448 -0.348 1.00 1.18 C ATOM 1052 CD2 PHE A 153 63.712 -0.509 -0.163 1.00 1.47 C ATOM 1053 CE1 PHE A 153 64.048 -3.244 -0.664 1.00 1.24 C ATOM 1054 CE2 PHE A 153 62.604 -1.303 -0.479 1.00 1.55 C ATOM 1055 CZ PHE A 153 62.772 -2.670 -0.729 1.00 0.93 C ATOM 0 H PHE A 153 68.191 0.731 1.113 1.00 0.60 H new ATOM 0 HA PHE A 153 65.573 0.277 2.279 1.00 0.61 H new ATOM 0 HB2 PHE A 153 66.029 0.795 -0.116 1.00 0.64 H new ATOM 0 HB3 PHE A 153 67.075 -0.605 -0.256 1.00 0.64 H new ATOM 0 HD1 PHE A 153 66.140 -2.889 -0.296 1.00 1.18 H new ATOM 0 HD2 PHE A 153 63.583 0.545 0.032 1.00 1.47 H new ATOM 0 HE1 PHE A 153 64.177 -4.299 -0.857 1.00 1.24 H new ATOM 0 HE2 PHE A 153 61.620 -0.861 -0.530 1.00 1.55 H new ATOM 0 HZ PHE A 153 61.917 -3.283 -0.972 1.00 0.93 H new ATOM 1065 N LEU A 154 67.641 -2.169 2.482 1.00 0.72 N ATOM 1066 CA LEU A 154 67.775 -3.559 3.001 1.00 0.80 C ATOM 1067 C LEU A 154 67.446 -3.602 4.495 1.00 0.79 C ATOM 1068 O LEU A 154 66.825 -4.527 4.978 1.00 0.82 O ATOM 1069 CB LEU A 154 69.239 -3.929 2.762 1.00 0.92 C ATOM 1070 CG LEU A 154 69.327 -4.953 1.630 1.00 0.85 C ATOM 1071 CD1 LEU A 154 68.457 -6.164 1.970 1.00 1.74 C ATOM 1072 CD2 LEU A 154 68.828 -4.316 0.331 1.00 1.54 C ATOM 0 H LEU A 154 68.522 -1.688 2.300 1.00 0.72 H new ATOM 0 HA LEU A 154 67.093 -4.252 2.508 1.00 0.80 H new ATOM 0 HB2 LEU A 154 69.813 -3.038 2.507 1.00 0.92 H new ATOM 0 HB3 LEU A 154 69.675 -4.339 3.673 1.00 0.92 H new ATOM 0 HG LEU A 154 70.362 -5.273 1.506 1.00 0.85 H new ATOM 0 HD11 LEU A 154 68.519 -6.895 1.163 1.00 1.74 H new ATOM 0 HD12 LEU A 154 68.809 -6.616 2.897 1.00 1.74 H new ATOM 0 HD13 LEU A 154 67.422 -5.845 2.092 1.00 1.74 H new ATOM 0 HD21 LEU A 154 68.890 -5.044 -0.478 1.00 1.54 H new ATOM 0 HD22 LEU A 154 67.793 -3.999 0.456 1.00 1.54 H new ATOM 0 HD23 LEU A 154 69.446 -3.451 0.089 1.00 1.54 H new ATOM 1084 N GLU A 155 67.860 -2.607 5.230 1.00 0.79 N ATOM 1085 CA GLU A 155 67.572 -2.592 6.693 1.00 0.82 C ATOM 1086 C GLU A 155 66.138 -2.113 6.946 1.00 0.81 C ATOM 1087 O GLU A 155 65.466 -2.583 7.843 1.00 0.90 O ATOM 1088 CB GLU A 155 68.579 -1.605 7.285 1.00 0.85 C ATOM 1089 CG GLU A 155 69.327 -2.271 8.442 1.00 0.95 C ATOM 1090 CD GLU A 155 70.503 -3.080 7.890 1.00 1.67 C ATOM 1091 OE1 GLU A 155 70.771 -2.964 6.705 1.00 2.47 O ATOM 1092 OE2 GLU A 155 71.114 -3.800 8.661 1.00 2.27 O ATOM 0 H GLU A 155 68.385 -1.804 4.882 1.00 0.79 H new ATOM 0 HA GLU A 155 67.660 -3.582 7.141 1.00 0.82 H new ATOM 0 HB2 GLU A 155 69.284 -1.285 6.518 1.00 0.85 H new ATOM 0 HB3 GLU A 155 68.064 -0.711 7.637 1.00 0.85 H new ATOM 0 HG2 GLU A 155 69.687 -1.515 9.139 1.00 0.95 H new ATOM 0 HG3 GLU A 155 68.653 -2.922 8.998 1.00 0.95 H new ATOM 1099 N PHE A 156 65.667 -1.180 6.164 1.00 0.75 N ATOM 1100 CA PHE A 156 64.279 -0.671 6.362 1.00 0.78 C ATOM 1101 C PHE A 156 63.281 -1.832 6.348 1.00 0.84 C ATOM 1102 O PHE A 156 62.556 -2.050 7.298 1.00 0.90 O ATOM 1103 CB PHE A 156 64.033 0.269 5.179 1.00 0.78 C ATOM 1104 CG PHE A 156 62.702 0.974 5.338 1.00 0.85 C ATOM 1105 CD1 PHE A 156 62.054 1.004 6.583 1.00 1.66 C ATOM 1106 CD2 PHE A 156 62.116 1.603 4.233 1.00 1.27 C ATOM 1107 CE1 PHE A 156 60.826 1.662 6.718 1.00 1.77 C ATOM 1108 CE2 PHE A 156 60.887 2.261 4.370 1.00 1.31 C ATOM 1109 CZ PHE A 156 60.243 2.291 5.611 1.00 1.10 C ATOM 0 H PHE A 156 66.183 -0.748 5.397 1.00 0.75 H new ATOM 0 HA PHE A 156 64.156 -0.163 7.319 1.00 0.78 H new ATOM 0 HB2 PHE A 156 64.836 1.003 5.116 1.00 0.78 H new ATOM 0 HB3 PHE A 156 64.044 -0.297 4.247 1.00 0.78 H new ATOM 0 HD1 PHE A 156 62.503 0.519 7.437 1.00 1.66 H new ATOM 0 HD2 PHE A 156 62.612 1.581 3.274 1.00 1.27 H new ATOM 0 HE1 PHE A 156 60.328 1.685 7.676 1.00 1.77 H new ATOM 0 HE2 PHE A 156 60.436 2.746 3.516 1.00 1.31 H new ATOM 0 HZ PHE A 156 59.296 2.799 5.716 1.00 1.10 H new ATOM 1119 N MET A 157 63.241 -2.580 5.279 1.00 0.86 N ATOM 1120 CA MET A 157 62.291 -3.727 5.207 1.00 0.95 C ATOM 1121 C MET A 157 62.748 -4.853 6.139 1.00 0.99 C ATOM 1122 O MET A 157 61.986 -5.734 6.482 1.00 1.12 O ATOM 1123 CB MET A 157 62.334 -4.186 3.748 1.00 0.99 C ATOM 1124 CG MET A 157 61.687 -3.122 2.860 1.00 1.28 C ATOM 1125 SD MET A 157 60.481 -3.908 1.761 1.00 1.48 S ATOM 1126 CE MET A 157 59.617 -2.400 1.257 1.00 1.12 C ATOM 0 H MET A 157 63.824 -2.447 4.453 1.00 0.86 H new ATOM 0 HA MET A 157 61.284 -3.449 5.517 1.00 0.95 H new ATOM 0 HB2 MET A 157 63.366 -4.355 3.439 1.00 0.99 H new ATOM 0 HB3 MET A 157 61.809 -5.135 3.638 1.00 0.99 H new ATOM 0 HG2 MET A 157 61.197 -2.368 3.476 1.00 1.28 H new ATOM 0 HG3 MET A 157 62.449 -2.609 2.274 1.00 1.28 H new ATOM 0 HE1 MET A 157 59.255 -2.512 0.235 1.00 1.12 H new ATOM 0 HE2 MET A 157 58.773 -2.224 1.924 1.00 1.12 H new ATOM 0 HE3 MET A 157 60.302 -1.554 1.308 1.00 1.12 H new ATOM 1136 N LYS A 158 63.986 -4.831 6.551 1.00 0.94 N ATOM 1137 CA LYS A 158 64.487 -5.900 7.462 1.00 1.02 C ATOM 1138 C LYS A 158 63.763 -5.825 8.809 1.00 1.05 C ATOM 1139 O LYS A 158 63.079 -6.744 9.210 1.00 1.20 O ATOM 1140 CB LYS A 158 65.978 -5.608 7.634 1.00 1.07 C ATOM 1141 CG LYS A 158 66.797 -6.753 7.031 1.00 1.26 C ATOM 1142 CD LYS A 158 67.709 -7.349 8.103 1.00 1.53 C ATOM 1143 CE LYS A 158 68.475 -8.538 7.519 1.00 1.45 C ATOM 1144 NZ LYS A 158 67.996 -9.721 8.288 1.00 2.07 N ATOM 0 H LYS A 158 64.672 -4.120 6.297 1.00 0.94 H new ATOM 0 HA LYS A 158 64.313 -6.900 7.064 1.00 1.02 H new ATOM 0 HB2 LYS A 158 66.234 -4.668 7.146 1.00 1.07 H new ATOM 0 HB3 LYS A 158 66.217 -5.493 8.691 1.00 1.07 H new ATOM 0 HG2 LYS A 158 66.132 -7.521 6.637 1.00 1.26 H new ATOM 0 HG3 LYS A 158 67.393 -6.387 6.195 1.00 1.26 H new ATOM 0 HD2 LYS A 158 68.408 -6.593 8.462 1.00 1.53 H new ATOM 0 HD3 LYS A 158 67.118 -7.670 8.961 1.00 1.53 H new ATOM 0 HE2 LYS A 158 68.274 -8.652 6.454 1.00 1.45 H new ATOM 0 HE3 LYS A 158 69.551 -8.406 7.628 1.00 1.45 H new ATOM 0 HZ1 LYS A 158 68.477 -10.577 7.944 1.00 2.07 H new ATOM 0 HZ2 LYS A 158 68.207 -9.587 9.298 1.00 2.07 H new ATOM 0 HZ3 LYS A 158 66.969 -9.826 8.160 1.00 2.07 H new