USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 467 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 147 TYR OH : rot -6:sc= 0.29! USER MOD Set 1.2: A 172 HIS : no HE2:sc= -0.342 K(o=-0.052,f=-14!) USER MOD Single : A 131 GLN : amide:sc=-0.00568 K(o=-0.0057,f=-1.7!) USER MOD Single : A 139 THR OG1 : rot 180:sc= 0.00815 USER MOD Single : A 141 GLN : amide:sc= 0 X(o=0,f=-0.00011) USER MOD Single : A 144 TYR OH : rot 180:sc= 0 USER MOD Single : A 153 CYS SG : rot -116:sc= 0.522 USER MOD Single : A 154 MET CE :methyl -154:sc= -0.45 (180deg=-1.16) USER MOD Single : A 156 THR OG1 : rot 66:sc= 0.18 USER MOD Single : A 159 TYR OH : rot 180:sc= 0 USER MOD Single : A 160 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 162 THR OG1 : rot 180:sc= 0 USER MOD Single : A 164 MET CE :methyl -155:sc= -0.135 (180deg=-0.817) USER MOD Single : A 170 SER OG : rot -6:sc= -0.0356 USER MOD Single : A 171 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 191 SER OG : rot -66:sc= 0.942 USER MOD ----------------------------------------------------------------- ATOM 58 N GLY A 123 1.541 -11.410 -22.101 1.00 0.00 N ATOM 59 CA GLY A 123 0.437 -12.238 -21.617 1.00 0.00 C ATOM 60 C GLY A 123 0.694 -12.684 -20.177 1.00 0.00 C ATOM 61 O GLY A 123 0.130 -12.113 -19.243 1.00 0.00 O ATOM 0 HA2 GLY A 123 -0.496 -11.677 -21.669 1.00 0.00 H new ATOM 0 HA3 GLY A 123 0.321 -13.111 -22.259 1.00 0.00 H new ATOM 65 N PRO A 124 1.540 -13.670 -19.970 1.00 0.00 N ATOM 66 CA PRO A 124 1.870 -14.162 -18.593 1.00 0.00 C ATOM 67 C PRO A 124 2.306 -13.021 -17.666 1.00 0.00 C ATOM 68 O PRO A 124 1.944 -12.987 -16.490 1.00 0.00 O ATOM 69 CB PRO A 124 3.033 -15.147 -18.826 1.00 0.00 C ATOM 70 CG PRO A 124 2.912 -15.587 -20.251 1.00 0.00 C ATOM 71 CD PRO A 124 2.265 -14.423 -21.012 1.00 0.00 C ATOM 0 HA PRO A 124 1.009 -14.618 -18.104 1.00 0.00 H new ATOM 0 HB2 PRO A 124 3.995 -14.667 -18.645 1.00 0.00 H new ATOM 0 HB3 PRO A 124 2.968 -15.997 -18.147 1.00 0.00 H new ATOM 0 HG2 PRO A 124 3.890 -15.827 -20.667 1.00 0.00 H new ATOM 0 HG3 PRO A 124 2.303 -16.488 -20.329 1.00 0.00 H new ATOM 0 HD2 PRO A 124 3.014 -13.803 -21.503 1.00 0.00 H new ATOM 0 HD3 PRO A 124 1.589 -14.781 -21.788 1.00 0.00 H new ATOM 79 N GLU A 125 3.092 -12.094 -18.205 1.00 0.00 N ATOM 80 CA GLU A 125 3.578 -10.972 -17.417 1.00 0.00 C ATOM 81 C GLU A 125 2.412 -10.245 -16.766 1.00 0.00 C ATOM 82 O GLU A 125 2.436 -9.952 -15.569 1.00 0.00 O ATOM 83 CB GLU A 125 4.357 -10.003 -18.314 1.00 0.00 C ATOM 84 CG GLU A 125 5.605 -10.698 -18.869 1.00 0.00 C ATOM 85 CD GLU A 125 6.574 -11.026 -17.737 1.00 0.00 C ATOM 86 OE1 GLU A 125 6.475 -10.393 -16.699 1.00 0.00 O ATOM 87 OE2 GLU A 125 7.400 -11.904 -17.926 1.00 0.00 O ATOM 0 H GLU A 125 3.403 -12.099 -19.177 1.00 0.00 H new ATOM 0 HA GLU A 125 4.239 -11.350 -16.637 1.00 0.00 H new ATOM 0 HB2 GLU A 125 3.724 -9.663 -19.134 1.00 0.00 H new ATOM 0 HB3 GLU A 125 4.645 -9.118 -17.746 1.00 0.00 H new ATOM 0 HG2 GLU A 125 5.320 -11.612 -19.389 1.00 0.00 H new ATOM 0 HG3 GLU A 125 6.094 -10.054 -19.600 1.00 0.00 H new ATOM 94 N GLU A 126 1.384 -9.967 -17.558 1.00 0.00 N ATOM 95 CA GLU A 126 0.207 -9.287 -17.042 1.00 0.00 C ATOM 96 C GLU A 126 -0.499 -10.167 -16.024 1.00 0.00 C ATOM 97 O GLU A 126 -0.860 -9.713 -14.939 1.00 0.00 O ATOM 98 CB GLU A 126 -0.750 -8.950 -18.185 1.00 0.00 C ATOM 99 CG GLU A 126 -0.128 -7.865 -19.067 1.00 0.00 C ATOM 100 CD GLU A 126 -1.030 -7.585 -20.265 1.00 0.00 C ATOM 101 OE1 GLU A 126 -2.079 -8.200 -20.346 1.00 0.00 O ATOM 102 OE2 GLU A 126 -0.654 -6.764 -21.084 1.00 0.00 O ATOM 0 H GLU A 126 1.343 -10.200 -18.550 1.00 0.00 H new ATOM 0 HA GLU A 126 0.522 -8.363 -16.558 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -0.955 -9.842 -18.777 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -1.704 -8.606 -17.786 1.00 0.00 H new ATOM 0 HG2 GLU A 126 0.015 -6.952 -18.488 1.00 0.00 H new ATOM 0 HG3 GLU A 126 0.857 -8.183 -19.409 1.00 0.00 H new ATOM 109 N LEU A 127 -0.698 -11.426 -16.383 1.00 0.00 N ATOM 110 CA LEU A 127 -1.376 -12.354 -15.489 1.00 0.00 C ATOM 111 C LEU A 127 -0.665 -12.408 -14.150 1.00 0.00 C ATOM 112 O LEU A 127 -1.294 -12.317 -13.096 1.00 0.00 O ATOM 113 CB LEU A 127 -1.404 -13.761 -16.113 1.00 0.00 C ATOM 114 CG LEU A 127 -1.966 -14.780 -15.105 1.00 0.00 C ATOM 115 CD1 LEU A 127 -3.340 -14.320 -14.617 1.00 0.00 C ATOM 116 CD2 LEU A 127 -2.095 -16.149 -15.784 1.00 0.00 C ATOM 0 H LEU A 127 -0.405 -11.825 -17.274 1.00 0.00 H new ATOM 0 HA LEU A 127 -2.398 -12.006 -15.337 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -2.017 -13.755 -17.014 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -0.398 -14.053 -16.414 1.00 0.00 H new ATOM 0 HG LEU A 127 -1.290 -14.857 -14.253 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -3.734 -15.044 -13.904 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -3.248 -13.348 -14.133 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -4.019 -14.240 -15.466 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -2.493 -16.872 -15.072 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -2.770 -16.070 -16.636 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -1.114 -16.479 -16.127 1.00 0.00 H new ATOM 128 N GLU A 128 0.650 -12.546 -14.195 1.00 0.00 N ATOM 129 CA GLU A 128 1.438 -12.607 -12.977 1.00 0.00 C ATOM 130 C GLU A 128 1.316 -11.300 -12.208 1.00 0.00 C ATOM 131 O GLU A 128 1.337 -11.286 -10.978 1.00 0.00 O ATOM 132 CB GLU A 128 2.906 -12.871 -13.320 1.00 0.00 C ATOM 133 CG GLU A 128 3.058 -14.296 -13.861 1.00 0.00 C ATOM 134 CD GLU A 128 4.491 -14.522 -14.332 1.00 0.00 C ATOM 135 OE1 GLU A 128 5.294 -13.616 -14.183 1.00 0.00 O ATOM 136 OE2 GLU A 128 4.764 -15.601 -14.833 1.00 0.00 O ATOM 0 H GLU A 128 1.191 -12.617 -15.057 1.00 0.00 H new ATOM 0 HA GLU A 128 1.063 -13.420 -12.355 1.00 0.00 H new ATOM 0 HB2 GLU A 128 3.252 -12.151 -14.061 1.00 0.00 H new ATOM 0 HB3 GLU A 128 3.527 -12.739 -12.434 1.00 0.00 H new ATOM 0 HG2 GLU A 128 2.803 -15.018 -13.085 1.00 0.00 H new ATOM 0 HG3 GLU A 128 2.365 -14.457 -14.687 1.00 0.00 H new ATOM 143 N GLU A 129 1.190 -10.206 -12.944 1.00 0.00 N ATOM 144 CA GLU A 129 1.071 -8.893 -12.321 1.00 0.00 C ATOM 145 C GLU A 129 -0.178 -8.836 -11.453 1.00 0.00 C ATOM 146 O GLU A 129 -0.158 -8.274 -10.356 1.00 0.00 O ATOM 147 CB GLU A 129 1.006 -7.801 -13.397 1.00 0.00 C ATOM 148 CG GLU A 129 1.327 -6.434 -12.780 1.00 0.00 C ATOM 149 CD GLU A 129 0.202 -6.009 -11.842 1.00 0.00 C ATOM 150 OE1 GLU A 129 -0.935 -6.360 -12.117 1.00 0.00 O ATOM 151 OE2 GLU A 129 0.491 -5.340 -10.863 1.00 0.00 O ATOM 0 H GLU A 129 1.167 -10.198 -13.964 1.00 0.00 H new ATOM 0 HA GLU A 129 1.947 -8.723 -11.695 1.00 0.00 H new ATOM 0 HB2 GLU A 129 1.714 -8.024 -14.195 1.00 0.00 H new ATOM 0 HB3 GLU A 129 0.013 -7.782 -13.847 1.00 0.00 H new ATOM 0 HG2 GLU A 129 2.268 -6.485 -12.233 1.00 0.00 H new ATOM 0 HG3 GLU A 129 1.455 -5.691 -13.567 1.00 0.00 H new ATOM 158 N LEU A 130 -1.256 -9.422 -11.946 1.00 0.00 N ATOM 159 CA LEU A 130 -2.511 -9.431 -11.210 1.00 0.00 C ATOM 160 C LEU A 130 -2.339 -10.174 -9.891 1.00 0.00 C ATOM 161 O LEU A 130 -2.870 -9.760 -8.859 1.00 0.00 O ATOM 162 CB LEU A 130 -3.600 -10.108 -12.056 1.00 0.00 C ATOM 163 CG LEU A 130 -4.159 -9.119 -13.101 1.00 0.00 C ATOM 164 CD1 LEU A 130 -4.710 -9.890 -14.307 1.00 0.00 C ATOM 165 CD2 LEU A 130 -5.296 -8.289 -12.482 1.00 0.00 C ATOM 0 H LEU A 130 -1.289 -9.896 -12.849 1.00 0.00 H new ATOM 0 HA LEU A 130 -2.808 -8.404 -10.997 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -3.188 -10.984 -12.558 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -4.405 -10.460 -11.411 1.00 0.00 H new ATOM 0 HG LEU A 130 -3.353 -8.459 -13.422 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -5.103 -9.186 -15.040 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -3.911 -10.477 -14.759 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -5.508 -10.556 -13.979 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -5.685 -7.593 -13.226 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -6.095 -8.954 -12.154 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -4.915 -7.730 -11.627 1.00 0.00 H new ATOM 177 N GLN A 131 -1.594 -11.268 -9.930 1.00 0.00 N ATOM 178 CA GLN A 131 -1.362 -12.055 -8.731 1.00 0.00 C ATOM 179 C GLN A 131 -0.593 -11.239 -7.707 1.00 0.00 C ATOM 180 O GLN A 131 -0.911 -11.256 -6.517 1.00 0.00 O ATOM 181 CB GLN A 131 -0.575 -13.316 -9.084 1.00 0.00 C ATOM 182 CG GLN A 131 -0.429 -14.189 -7.838 1.00 0.00 C ATOM 183 CD GLN A 131 0.201 -15.527 -8.209 1.00 0.00 C ATOM 184 OE1 GLN A 131 0.199 -15.911 -9.378 1.00 0.00 O ATOM 185 NE2 GLN A 131 0.745 -16.262 -7.278 1.00 0.00 N ATOM 0 H GLN A 131 -1.144 -11.628 -10.771 1.00 0.00 H new ATOM 0 HA GLN A 131 -2.324 -12.338 -8.305 1.00 0.00 H new ATOM 0 HB2 GLN A 131 -1.087 -13.869 -9.871 1.00 0.00 H new ATOM 0 HB3 GLN A 131 0.408 -13.048 -9.471 1.00 0.00 H new ATOM 0 HG2 GLN A 131 0.188 -13.680 -7.098 1.00 0.00 H new ATOM 0 HG3 GLN A 131 -1.405 -14.352 -7.381 1.00 0.00 H new ATOM 0 HE21 GLN A 131 0.745 -15.941 -6.310 1.00 0.00 H new ATOM 0 HE22 GLN A 131 1.170 -17.157 -7.518 1.00 0.00 H new ATOM 194 N ALA A 132 0.416 -10.517 -8.176 1.00 0.00 N ATOM 195 CA ALA A 132 1.225 -9.693 -7.289 1.00 0.00 C ATOM 196 C ALA A 132 0.349 -8.668 -6.583 1.00 0.00 C ATOM 197 O ALA A 132 0.577 -8.347 -5.416 1.00 0.00 O ATOM 198 CB ALA A 132 2.318 -8.975 -8.086 1.00 0.00 C ATOM 0 H ALA A 132 0.692 -10.485 -9.157 1.00 0.00 H new ATOM 0 HA ALA A 132 1.692 -10.338 -6.544 1.00 0.00 H new ATOM 0 HB1 ALA A 132 2.916 -8.362 -7.412 1.00 0.00 H new ATOM 0 HB2 ALA A 132 2.958 -9.712 -8.571 1.00 0.00 H new ATOM 0 HB3 ALA A 132 1.858 -8.339 -8.843 1.00 0.00 H new ATOM 204 N ALA A 133 -0.655 -8.161 -7.289 1.00 0.00 N ATOM 205 CA ALA A 133 -1.559 -7.183 -6.708 1.00 0.00 C ATOM 206 C ALA A 133 -2.386 -7.815 -5.596 1.00 0.00 C ATOM 207 O ALA A 133 -2.571 -7.223 -4.533 1.00 0.00 O ATOM 208 CB ALA A 133 -2.490 -6.632 -7.789 1.00 0.00 C ATOM 0 H ALA A 133 -0.860 -8.410 -8.257 1.00 0.00 H new ATOM 0 HA ALA A 133 -0.967 -6.370 -6.287 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -3.166 -5.899 -7.348 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -1.898 -6.156 -8.571 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -3.071 -7.448 -8.220 1.00 0.00 H new ATOM 214 N PHE A 134 -2.880 -9.019 -5.852 1.00 0.00 N ATOM 215 CA PHE A 134 -3.698 -9.719 -4.872 1.00 0.00 C ATOM 216 C PHE A 134 -2.921 -9.895 -3.574 1.00 0.00 C ATOM 217 O PHE A 134 -3.459 -9.707 -2.485 1.00 0.00 O ATOM 218 CB PHE A 134 -4.116 -11.092 -5.417 1.00 0.00 C ATOM 219 CG PHE A 134 -5.303 -11.614 -4.634 1.00 0.00 C ATOM 220 CD1 PHE A 134 -6.582 -11.121 -4.908 1.00 0.00 C ATOM 221 CD2 PHE A 134 -5.125 -12.590 -3.645 1.00 0.00 C ATOM 222 CE1 PHE A 134 -7.686 -11.599 -4.194 1.00 0.00 C ATOM 223 CE2 PHE A 134 -6.231 -13.068 -2.928 1.00 0.00 C ATOM 224 CZ PHE A 134 -7.512 -12.572 -3.204 1.00 0.00 C ATOM 0 H PHE A 134 -2.730 -9.528 -6.723 1.00 0.00 H new ATOM 0 HA PHE A 134 -4.592 -9.127 -4.675 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -4.372 -11.012 -6.473 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -3.284 -11.792 -5.343 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -6.718 -10.370 -5.672 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -4.137 -12.974 -3.435 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -8.673 -11.217 -4.407 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -6.096 -13.818 -2.163 1.00 0.00 H new ATOM 0 HZ PHE A 134 -8.365 -12.941 -2.653 1.00 0.00 H new ATOM 234 N GLU A 135 -1.649 -10.253 -3.703 1.00 0.00 N ATOM 235 CA GLU A 135 -0.804 -10.449 -2.535 1.00 0.00 C ATOM 236 C GLU A 135 -0.804 -9.194 -1.669 1.00 0.00 C ATOM 237 O GLU A 135 -0.861 -9.275 -0.441 1.00 0.00 O ATOM 238 CB GLU A 135 0.627 -10.764 -2.978 1.00 0.00 C ATOM 239 CG GLU A 135 0.658 -12.127 -3.671 1.00 0.00 C ATOM 240 CD GLU A 135 2.054 -12.404 -4.217 1.00 0.00 C ATOM 241 OE1 GLU A 135 2.920 -11.566 -4.028 1.00 0.00 O ATOM 242 OE2 GLU A 135 2.239 -13.451 -4.815 1.00 0.00 O ATOM 0 H GLU A 135 -1.185 -10.412 -4.597 1.00 0.00 H new ATOM 0 HA GLU A 135 -1.197 -11.283 -1.953 1.00 0.00 H new ATOM 0 HB2 GLU A 135 0.987 -9.991 -3.657 1.00 0.00 H new ATOM 0 HB3 GLU A 135 1.294 -10.767 -2.116 1.00 0.00 H new ATOM 0 HG2 GLU A 135 0.373 -12.909 -2.967 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -0.069 -12.148 -4.483 1.00 0.00 H new ATOM 249 N GLU A 136 -0.747 -8.034 -2.315 1.00 0.00 N ATOM 250 CA GLU A 136 -0.749 -6.766 -1.594 1.00 0.00 C ATOM 251 C GLU A 136 -2.125 -6.493 -0.993 1.00 0.00 C ATOM 252 O GLU A 136 -2.238 -5.947 0.105 1.00 0.00 O ATOM 253 CB GLU A 136 -0.368 -5.624 -2.534 1.00 0.00 C ATOM 254 CG GLU A 136 1.094 -5.782 -2.957 1.00 0.00 C ATOM 255 CD GLU A 136 1.483 -4.664 -3.916 1.00 0.00 C ATOM 256 OE1 GLU A 136 0.643 -3.818 -4.180 1.00 0.00 O ATOM 257 OE2 GLU A 136 2.614 -4.667 -4.372 1.00 0.00 O ATOM 0 H GLU A 136 -0.699 -7.945 -3.330 1.00 0.00 H new ATOM 0 HA GLU A 136 -0.017 -6.830 -0.789 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -1.015 -5.629 -3.411 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -0.513 -4.665 -2.037 1.00 0.00 H new ATOM 0 HG2 GLU A 136 1.740 -5.760 -2.079 1.00 0.00 H new ATOM 0 HG3 GLU A 136 1.240 -6.750 -3.436 1.00 0.00 H new ATOM 264 N PHE A 137 -3.168 -6.875 -1.724 1.00 0.00 N ATOM 265 CA PHE A 137 -4.538 -6.670 -1.263 1.00 0.00 C ATOM 266 C PHE A 137 -4.959 -7.793 -0.324 1.00 0.00 C ATOM 267 O PHE A 137 -6.056 -7.767 0.233 1.00 0.00 O ATOM 268 CB PHE A 137 -5.498 -6.613 -2.461 1.00 0.00 C ATOM 269 CG PHE A 137 -5.379 -5.271 -3.148 1.00 0.00 C ATOM 270 CD1 PHE A 137 -5.783 -4.111 -2.478 1.00 0.00 C ATOM 271 CD2 PHE A 137 -4.863 -5.186 -4.448 1.00 0.00 C ATOM 272 CE1 PHE A 137 -5.673 -2.865 -3.105 1.00 0.00 C ATOM 273 CE2 PHE A 137 -4.751 -3.939 -5.074 1.00 0.00 C ATOM 274 CZ PHE A 137 -5.156 -2.779 -4.403 1.00 0.00 C ATOM 0 H PHE A 137 -3.092 -7.327 -2.635 1.00 0.00 H new ATOM 0 HA PHE A 137 -4.580 -5.724 -0.724 1.00 0.00 H new ATOM 0 HB2 PHE A 137 -5.266 -7.413 -3.163 1.00 0.00 H new ATOM 0 HB3 PHE A 137 -6.523 -6.771 -2.125 1.00 0.00 H new ATOM 0 HD1 PHE A 137 -6.180 -4.177 -1.476 1.00 0.00 H new ATOM 0 HD2 PHE A 137 -4.552 -6.081 -4.966 1.00 0.00 H new ATOM 0 HE1 PHE A 137 -5.987 -1.970 -2.588 1.00 0.00 H new ATOM 0 HE2 PHE A 137 -4.352 -3.872 -6.075 1.00 0.00 H new ATOM 0 HZ PHE A 137 -5.070 -1.817 -4.887 1.00 0.00 H new ATOM 284 N ASP A 138 -4.081 -8.779 -0.151 1.00 0.00 N ATOM 285 CA ASP A 138 -4.373 -9.910 0.727 1.00 0.00 C ATOM 286 C ASP A 138 -3.137 -10.289 1.532 1.00 0.00 C ATOM 287 O ASP A 138 -2.466 -11.279 1.232 1.00 0.00 O ATOM 288 CB ASP A 138 -4.833 -11.105 -0.109 1.00 0.00 C ATOM 289 CG ASP A 138 -5.464 -12.157 0.794 1.00 0.00 C ATOM 290 OD1 ASP A 138 -5.209 -12.112 1.985 1.00 0.00 O ATOM 291 OD2 ASP A 138 -6.190 -12.992 0.281 1.00 0.00 O ATOM 0 H ASP A 138 -3.168 -8.818 -0.604 1.00 0.00 H new ATOM 0 HA ASP A 138 -5.166 -9.624 1.418 1.00 0.00 H new ATOM 0 HB2 ASP A 138 -5.552 -10.779 -0.860 1.00 0.00 H new ATOM 0 HB3 ASP A 138 -3.986 -11.533 -0.644 1.00 0.00 H new ATOM 296 N THR A 139 -2.841 -9.497 2.555 1.00 0.00 N ATOM 297 CA THR A 139 -1.679 -9.754 3.398 1.00 0.00 C ATOM 298 C THR A 139 -1.852 -11.048 4.179 1.00 0.00 C ATOM 299 O THR A 139 -0.909 -11.817 4.354 1.00 0.00 O ATOM 300 CB THR A 139 -1.472 -8.591 4.369 1.00 0.00 C ATOM 301 OG1 THR A 139 -2.698 -8.289 5.016 1.00 0.00 O ATOM 302 CG2 THR A 139 -0.980 -7.361 3.601 1.00 0.00 C ATOM 0 H THR A 139 -3.385 -8.676 2.820 1.00 0.00 H new ATOM 0 HA THR A 139 -0.805 -9.851 2.755 1.00 0.00 H new ATOM 0 HB THR A 139 -0.728 -8.871 5.115 1.00 0.00 H new ATOM 0 HG1 THR A 139 -2.564 -7.545 5.639 1.00 0.00 H new ATOM 0 HG21 THR A 139 -0.833 -6.533 4.295 1.00 0.00 H new ATOM 0 HG22 THR A 139 -0.036 -7.593 3.108 1.00 0.00 H new ATOM 0 HG23 THR A 139 -1.720 -7.080 2.852 1.00 0.00 H new ATOM 310 N ASP A 140 -3.066 -11.273 4.643 1.00 0.00 N ATOM 311 CA ASP A 140 -3.375 -12.478 5.412 1.00 0.00 C ATOM 312 C ASP A 140 -3.513 -13.687 4.490 1.00 0.00 C ATOM 313 O ASP A 140 -3.654 -14.819 4.954 1.00 0.00 O ATOM 314 CB ASP A 140 -4.674 -12.287 6.201 1.00 0.00 C ATOM 315 CG ASP A 140 -5.787 -11.820 5.270 1.00 0.00 C ATOM 316 OD1 ASP A 140 -5.468 -11.331 4.199 1.00 0.00 O ATOM 317 OD2 ASP A 140 -6.940 -11.952 5.645 1.00 0.00 O ATOM 0 H ASP A 140 -3.857 -10.644 4.505 1.00 0.00 H new ATOM 0 HA ASP A 140 -2.554 -12.655 6.106 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -4.959 -13.224 6.680 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -4.522 -11.556 6.995 1.00 0.00 H new ATOM 322 N GLN A 141 -3.470 -13.439 3.184 1.00 0.00 N ATOM 323 CA GLN A 141 -3.585 -14.511 2.204 1.00 0.00 C ATOM 324 C GLN A 141 -4.737 -15.439 2.567 1.00 0.00 C ATOM 325 O GLN A 141 -4.572 -16.655 2.650 1.00 0.00 O ATOM 326 CB GLN A 141 -2.277 -15.305 2.148 1.00 0.00 C ATOM 327 CG GLN A 141 -2.241 -16.145 0.871 1.00 0.00 C ATOM 328 CD GLN A 141 -0.959 -16.969 0.822 1.00 0.00 C ATOM 329 OE1 GLN A 141 -0.713 -17.787 1.710 1.00 0.00 O ATOM 330 NE2 GLN A 141 -0.129 -16.807 -0.170 1.00 0.00 N ATOM 0 H GLN A 141 -3.357 -12.508 2.782 1.00 0.00 H new ATOM 0 HA GLN A 141 -3.783 -14.072 1.226 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -1.426 -14.625 2.172 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -2.194 -15.951 3.022 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -3.108 -16.805 0.836 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -2.299 -15.496 -0.003 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -0.337 -16.129 -0.903 1.00 0.00 H new ATOM 0 HE22 GLN A 141 0.728 -17.359 -0.213 1.00 0.00 H new ATOM 339 N ASP A 142 -5.910 -14.853 2.782 1.00 0.00 N ATOM 340 CA ASP A 142 -7.087 -15.641 3.133 1.00 0.00 C ATOM 341 C ASP A 142 -7.736 -16.212 1.877 1.00 0.00 C ATOM 342 O ASP A 142 -8.713 -16.957 1.956 1.00 0.00 O ATOM 343 CB ASP A 142 -8.096 -14.769 3.882 1.00 0.00 C ATOM 344 CG ASP A 142 -8.436 -13.537 3.051 1.00 0.00 C ATOM 345 OD1 ASP A 142 -7.820 -13.357 2.012 1.00 0.00 O ATOM 346 OD2 ASP A 142 -9.306 -12.790 3.465 1.00 0.00 O ATOM 0 H ASP A 142 -6.071 -13.848 2.721 1.00 0.00 H new ATOM 0 HA ASP A 142 -6.775 -16.464 3.776 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -9.001 -15.340 4.088 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -7.684 -14.466 4.845 1.00 0.00 H new ATOM 351 N GLY A 143 -7.182 -15.860 0.722 1.00 0.00 N ATOM 352 CA GLY A 143 -7.711 -16.347 -0.547 1.00 0.00 C ATOM 353 C GLY A 143 -8.947 -15.559 -0.956 1.00 0.00 C ATOM 354 O GLY A 143 -9.541 -15.820 -2.000 1.00 0.00 O ATOM 0 H GLY A 143 -6.373 -15.244 0.638 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -6.948 -16.262 -1.321 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -7.961 -17.404 -0.460 1.00 0.00 H new ATOM 358 N TYR A 144 -9.328 -14.594 -0.124 1.00 0.00 N ATOM 359 CA TYR A 144 -10.504 -13.766 -0.403 1.00 0.00 C ATOM 360 C TYR A 144 -10.250 -12.323 0.022 1.00 0.00 C ATOM 361 O TYR A 144 -9.513 -12.065 0.973 1.00 0.00 O ATOM 362 CB TYR A 144 -11.720 -14.307 0.350 1.00 0.00 C ATOM 363 CG TYR A 144 -11.807 -15.803 0.159 1.00 0.00 C ATOM 364 CD1 TYR A 144 -12.332 -16.328 -1.029 1.00 0.00 C ATOM 365 CD2 TYR A 144 -11.363 -16.663 1.168 1.00 0.00 C ATOM 366 CE1 TYR A 144 -12.411 -17.715 -1.206 1.00 0.00 C ATOM 367 CE2 TYR A 144 -11.441 -18.050 0.992 1.00 0.00 C ATOM 368 CZ TYR A 144 -11.965 -18.577 -0.196 1.00 0.00 C ATOM 369 OH TYR A 144 -12.042 -19.943 -0.369 1.00 0.00 O ATOM 0 H TYR A 144 -8.845 -14.365 0.745 1.00 0.00 H new ATOM 0 HA TYR A 144 -10.698 -13.796 -1.475 1.00 0.00 H new ATOM 0 HB2 TYR A 144 -11.639 -14.069 1.411 1.00 0.00 H new ATOM 0 HB3 TYR A 144 -12.629 -13.830 -0.015 1.00 0.00 H new ATOM 0 HD1 TYR A 144 -12.676 -15.663 -1.808 1.00 0.00 H new ATOM 0 HD2 TYR A 144 -10.960 -16.257 2.084 1.00 0.00 H new ATOM 0 HE1 TYR A 144 -12.816 -18.120 -2.122 1.00 0.00 H new ATOM 0 HE2 TYR A 144 -11.097 -18.714 1.772 1.00 0.00 H new ATOM 0 HH TYR A 144 -11.689 -20.394 0.426 1.00 0.00 H new ATOM 379 N ILE A 145 -10.873 -11.388 -0.690 1.00 0.00 N ATOM 380 CA ILE A 145 -10.727 -9.962 -0.391 1.00 0.00 C ATOM 381 C ILE A 145 -12.092 -9.295 -0.261 1.00 0.00 C ATOM 382 O ILE A 145 -13.081 -9.769 -0.818 1.00 0.00 O ATOM 383 CB ILE A 145 -9.918 -9.277 -1.496 1.00 0.00 C ATOM 384 CG1 ILE A 145 -10.591 -9.518 -2.854 1.00 0.00 C ATOM 385 CG2 ILE A 145 -8.500 -9.853 -1.507 1.00 0.00 C ATOM 386 CD1 ILE A 145 -9.925 -8.643 -3.919 1.00 0.00 C ATOM 0 H ILE A 145 -11.486 -11.590 -1.480 1.00 0.00 H new ATOM 0 HA ILE A 145 -10.200 -9.861 0.558 1.00 0.00 H new ATOM 0 HB ILE A 145 -9.874 -8.204 -1.310 1.00 0.00 H new ATOM 0 HG12 ILE A 145 -10.510 -10.569 -3.130 1.00 0.00 H new ATOM 0 HG13 ILE A 145 -11.654 -9.286 -2.791 1.00 0.00 H new ATOM 0 HG21 ILE A 145 -7.917 -9.370 -2.291 1.00 0.00 H new ATOM 0 HG22 ILE A 145 -8.027 -9.674 -0.541 1.00 0.00 H new ATOM 0 HG23 ILE A 145 -8.544 -10.926 -1.696 1.00 0.00 H new ATOM 0 HD11 ILE A 145 -10.404 -8.815 -4.883 1.00 0.00 H new ATOM 0 HD12 ILE A 145 -10.029 -7.593 -3.645 1.00 0.00 H new ATOM 0 HD13 ILE A 145 -8.867 -8.897 -3.989 1.00 0.00 H new ATOM 398 N GLY A 146 -12.136 -8.193 0.476 1.00 0.00 N ATOM 399 CA GLY A 146 -13.384 -7.472 0.674 1.00 0.00 C ATOM 400 C GLY A 146 -13.892 -6.899 -0.644 1.00 0.00 C ATOM 401 O GLY A 146 -13.133 -6.304 -1.411 1.00 0.00 O ATOM 0 H GLY A 146 -11.328 -7.782 0.943 1.00 0.00 H new ATOM 0 HA2 GLY A 146 -14.133 -8.141 1.098 1.00 0.00 H new ATOM 0 HA3 GLY A 146 -13.234 -6.666 1.392 1.00 0.00 H new ATOM 405 N TYR A 147 -15.180 -7.086 -0.898 1.00 0.00 N ATOM 406 CA TYR A 147 -15.786 -6.592 -2.130 1.00 0.00 C ATOM 407 C TYR A 147 -15.487 -5.105 -2.298 1.00 0.00 C ATOM 408 O TYR A 147 -15.286 -4.621 -3.411 1.00 0.00 O ATOM 409 CB TYR A 147 -17.317 -6.842 -2.104 1.00 0.00 C ATOM 410 CG TYR A 147 -17.715 -7.784 -3.220 1.00 0.00 C ATOM 411 CD1 TYR A 147 -17.537 -7.392 -4.549 1.00 0.00 C ATOM 412 CD2 TYR A 147 -18.259 -9.042 -2.927 1.00 0.00 C ATOM 413 CE1 TYR A 147 -17.896 -8.252 -5.589 1.00 0.00 C ATOM 414 CE2 TYR A 147 -18.621 -9.904 -3.968 1.00 0.00 C ATOM 415 CZ TYR A 147 -18.440 -9.510 -5.298 1.00 0.00 C ATOM 416 OH TYR A 147 -18.794 -10.358 -6.323 1.00 0.00 O ATOM 0 H TYR A 147 -15.823 -7.573 -0.273 1.00 0.00 H new ATOM 0 HA TYR A 147 -15.362 -7.128 -2.979 1.00 0.00 H new ATOM 0 HB2 TYR A 147 -17.607 -7.264 -1.142 1.00 0.00 H new ATOM 0 HB3 TYR A 147 -17.849 -5.896 -2.210 1.00 0.00 H new ATOM 0 HD1 TYR A 147 -17.121 -6.421 -4.773 1.00 0.00 H new ATOM 0 HD2 TYR A 147 -18.398 -9.345 -1.900 1.00 0.00 H new ATOM 0 HE1 TYR A 147 -17.755 -7.948 -6.616 1.00 0.00 H new ATOM 0 HE2 TYR A 147 -19.040 -10.874 -3.745 1.00 0.00 H new ATOM 0 HH TYR A 147 -18.691 -9.895 -7.181 1.00 0.00 H new ATOM 426 N ARG A 148 -15.468 -4.386 -1.189 1.00 0.00 N ATOM 427 CA ARG A 148 -15.201 -2.959 -1.236 1.00 0.00 C ATOM 428 C ARG A 148 -13.805 -2.691 -1.791 1.00 0.00 C ATOM 429 O ARG A 148 -13.597 -1.728 -2.529 1.00 0.00 O ATOM 430 CB ARG A 148 -15.321 -2.364 0.165 1.00 0.00 C ATOM 431 CG ARG A 148 -16.792 -2.349 0.586 1.00 0.00 C ATOM 432 CD ARG A 148 -16.909 -1.781 2.000 1.00 0.00 C ATOM 433 NE ARG A 148 -18.310 -1.691 2.394 1.00 0.00 N ATOM 434 CZ ARG A 148 -18.657 -1.392 3.640 1.00 0.00 C ATOM 435 NH1 ARG A 148 -17.735 -1.176 4.540 1.00 0.00 N ATOM 436 NH2 ARG A 148 -19.916 -1.311 3.966 1.00 0.00 N ATOM 0 H ARG A 148 -15.632 -4.761 -0.255 1.00 0.00 H new ATOM 0 HA ARG A 148 -15.933 -2.491 -1.894 1.00 0.00 H new ATOM 0 HB2 ARG A 148 -14.735 -2.950 0.873 1.00 0.00 H new ATOM 0 HB3 ARG A 148 -14.917 -1.352 0.178 1.00 0.00 H new ATOM 0 HG2 ARG A 148 -17.375 -1.745 -0.110 1.00 0.00 H new ATOM 0 HG3 ARG A 148 -17.202 -3.359 0.553 1.00 0.00 H new ATOM 0 HD2 ARG A 148 -16.367 -2.416 2.701 1.00 0.00 H new ATOM 0 HD3 ARG A 148 -16.448 -0.794 2.042 1.00 0.00 H new ATOM 0 HE ARG A 148 -19.037 -1.861 1.699 1.00 0.00 H new ATOM 0 HH11 ARG A 148 -16.749 -1.237 4.285 1.00 0.00 H new ATOM 0 HH12 ARG A 148 -18.001 -0.946 5.498 1.00 0.00 H new ATOM 0 HH21 ARG A 148 -20.636 -1.477 3.263 1.00 0.00 H new ATOM 0 HH22 ARG A 148 -20.181 -1.081 4.924 1.00 0.00 H new ATOM 450 N GLU A 149 -12.856 -3.546 -1.429 1.00 0.00 N ATOM 451 CA GLU A 149 -11.481 -3.392 -1.897 1.00 0.00 C ATOM 452 C GLU A 149 -11.326 -3.949 -3.305 1.00 0.00 C ATOM 453 O GLU A 149 -10.311 -3.724 -3.963 1.00 0.00 O ATOM 454 CB GLU A 149 -10.527 -4.125 -0.950 1.00 0.00 C ATOM 455 CG GLU A 149 -10.548 -3.454 0.424 1.00 0.00 C ATOM 456 CD GLU A 149 -9.969 -2.046 0.329 1.00 0.00 C ATOM 457 OE1 GLU A 149 -9.268 -1.779 -0.634 1.00 0.00 O ATOM 458 OE2 GLU A 149 -10.234 -1.254 1.220 1.00 0.00 O ATOM 0 H GLU A 149 -13.010 -4.348 -0.818 1.00 0.00 H new ATOM 0 HA GLU A 149 -11.239 -2.329 -1.913 1.00 0.00 H new ATOM 0 HB2 GLU A 149 -10.821 -5.171 -0.859 1.00 0.00 H new ATOM 0 HB3 GLU A 149 -9.516 -4.113 -1.356 1.00 0.00 H new ATOM 0 HG2 GLU A 149 -11.570 -3.411 0.800 1.00 0.00 H new ATOM 0 HG3 GLU A 149 -9.971 -4.046 1.135 1.00 0.00 H new ATOM 465 N LEU A 150 -12.330 -4.690 -3.760 1.00 0.00 N ATOM 466 CA LEU A 150 -12.274 -5.282 -5.089 1.00 0.00 C ATOM 467 C LEU A 150 -12.158 -4.191 -6.146 1.00 0.00 C ATOM 468 O LEU A 150 -11.381 -4.313 -7.093 1.00 0.00 O ATOM 469 CB LEU A 150 -13.538 -6.106 -5.349 1.00 0.00 C ATOM 470 CG LEU A 150 -13.411 -6.876 -6.675 1.00 0.00 C ATOM 471 CD1 LEU A 150 -12.322 -7.960 -6.569 1.00 0.00 C ATOM 472 CD2 LEU A 150 -14.762 -7.525 -7.008 1.00 0.00 C ATOM 0 H LEU A 150 -13.181 -4.893 -3.236 1.00 0.00 H new ATOM 0 HA LEU A 150 -11.400 -5.931 -5.144 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -13.699 -6.805 -4.529 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -14.407 -5.449 -5.384 1.00 0.00 H new ATOM 0 HG LEU A 150 -13.128 -6.182 -7.466 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -12.247 -8.494 -7.516 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -11.365 -7.493 -6.339 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -12.583 -8.662 -5.777 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -14.681 -8.073 -7.947 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -15.042 -8.212 -6.210 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -15.524 -6.751 -7.104 1.00 0.00 H new ATOM 484 N GLY A 151 -12.938 -3.127 -5.984 1.00 0.00 N ATOM 485 CA GLY A 151 -12.912 -2.028 -6.941 1.00 0.00 C ATOM 486 C GLY A 151 -11.530 -1.387 -6.993 1.00 0.00 C ATOM 487 O GLY A 151 -11.008 -1.100 -8.071 1.00 0.00 O ATOM 0 H GLY A 151 -13.589 -3.003 -5.208 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -13.185 -2.395 -7.930 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -13.654 -1.280 -6.663 1.00 0.00 H new ATOM 491 N ASP A 152 -10.948 -1.157 -5.821 1.00 0.00 N ATOM 492 CA ASP A 152 -9.631 -0.539 -5.742 1.00 0.00 C ATOM 493 C ASP A 152 -8.615 -1.357 -6.531 1.00 0.00 C ATOM 494 O ASP A 152 -7.722 -0.805 -7.171 1.00 0.00 O ATOM 495 CB ASP A 152 -9.183 -0.442 -4.282 1.00 0.00 C ATOM 496 CG ASP A 152 -7.813 0.226 -4.200 1.00 0.00 C ATOM 497 OD1 ASP A 152 -7.236 0.482 -5.244 1.00 0.00 O ATOM 498 OD2 ASP A 152 -7.360 0.464 -3.091 1.00 0.00 O ATOM 0 H ASP A 152 -11.364 -1.388 -4.919 1.00 0.00 H new ATOM 0 HA ASP A 152 -9.693 0.462 -6.169 1.00 0.00 H new ATOM 0 HB2 ASP A 152 -9.911 0.130 -3.707 1.00 0.00 H new ATOM 0 HB3 ASP A 152 -9.139 -1.437 -3.840 1.00 0.00 H new ATOM 503 N CYS A 153 -8.762 -2.675 -6.485 1.00 0.00 N ATOM 504 CA CYS A 153 -7.854 -3.560 -7.202 1.00 0.00 C ATOM 505 C CYS A 153 -7.871 -3.251 -8.698 1.00 0.00 C ATOM 506 O CYS A 153 -6.830 -3.258 -9.355 1.00 0.00 O ATOM 507 CB CYS A 153 -8.257 -5.019 -6.975 1.00 0.00 C ATOM 508 SG CYS A 153 -6.860 -6.100 -7.367 1.00 0.00 S ATOM 0 H CYS A 153 -9.496 -3.152 -5.962 1.00 0.00 H new ATOM 0 HA CYS A 153 -6.845 -3.399 -6.821 1.00 0.00 H new ATOM 0 HB2 CYS A 153 -8.564 -5.165 -5.940 1.00 0.00 H new ATOM 0 HB3 CYS A 153 -9.113 -5.272 -7.600 1.00 0.00 H new ATOM 0 HG CYS A 153 -7.168 -6.857 -8.378 1.00 0.00 H new ATOM 514 N MET A 154 -9.057 -2.979 -9.229 1.00 0.00 N ATOM 515 CA MET A 154 -9.194 -2.670 -10.646 1.00 0.00 C ATOM 516 C MET A 154 -8.468 -1.372 -10.984 1.00 0.00 C ATOM 517 O MET A 154 -7.822 -1.262 -12.026 1.00 0.00 O ATOM 518 CB MET A 154 -10.676 -2.546 -11.015 1.00 0.00 C ATOM 519 CG MET A 154 -10.811 -2.290 -12.519 1.00 0.00 C ATOM 520 SD MET A 154 -12.564 -2.270 -12.970 1.00 0.00 S ATOM 521 CE MET A 154 -12.332 -2.209 -14.764 1.00 0.00 C ATOM 0 H MET A 154 -9.931 -2.966 -8.704 1.00 0.00 H new ATOM 0 HA MET A 154 -8.747 -3.481 -11.221 1.00 0.00 H new ATOM 0 HB2 MET A 154 -11.207 -3.458 -10.742 1.00 0.00 H new ATOM 0 HB3 MET A 154 -11.134 -1.731 -10.455 1.00 0.00 H new ATOM 0 HG2 MET A 154 -10.346 -1.340 -12.781 1.00 0.00 H new ATOM 0 HG3 MET A 154 -10.289 -3.065 -13.079 1.00 0.00 H new ATOM 0 HE1 MET A 154 -13.200 -1.740 -15.227 1.00 0.00 H new ATOM 0 HE2 MET A 154 -11.439 -1.629 -14.996 1.00 0.00 H new ATOM 0 HE3 MET A 154 -12.217 -3.222 -15.151 1.00 0.00 H new ATOM 531 N ARG A 155 -8.575 -0.391 -10.091 1.00 0.00 N ATOM 532 CA ARG A 155 -7.923 0.897 -10.304 1.00 0.00 C ATOM 533 C ARG A 155 -6.412 0.728 -10.320 1.00 0.00 C ATOM 534 O ARG A 155 -5.711 1.381 -11.093 1.00 0.00 O ATOM 535 CB ARG A 155 -8.321 1.875 -9.195 1.00 0.00 C ATOM 536 CG ARG A 155 -9.784 2.278 -9.379 1.00 0.00 C ATOM 537 CD ARG A 155 -10.203 3.207 -8.238 1.00 0.00 C ATOM 538 NE ARG A 155 -11.608 3.571 -8.373 1.00 0.00 N ATOM 539 CZ ARG A 155 -12.237 4.237 -7.411 1.00 0.00 C ATOM 540 NH1 ARG A 155 -11.597 4.582 -6.328 1.00 0.00 N ATOM 541 NH2 ARG A 155 -13.498 4.545 -7.550 1.00 0.00 N ATOM 0 H ARG A 155 -9.102 -0.462 -9.221 1.00 0.00 H new ATOM 0 HA ARG A 155 -8.244 1.295 -11.267 1.00 0.00 H new ATOM 0 HB2 ARG A 155 -8.179 1.413 -8.218 1.00 0.00 H new ATOM 0 HB3 ARG A 155 -7.682 2.757 -9.226 1.00 0.00 H new ATOM 0 HG2 ARG A 155 -9.917 2.779 -10.338 1.00 0.00 H new ATOM 0 HG3 ARG A 155 -10.418 1.391 -9.392 1.00 0.00 H new ATOM 0 HD2 ARG A 155 -10.038 2.715 -7.280 1.00 0.00 H new ATOM 0 HD3 ARG A 155 -9.585 4.105 -8.245 1.00 0.00 H new ATOM 0 HE ARG A 155 -12.116 3.311 -9.219 1.00 0.00 H new ATOM 0 HH11 ARG A 155 -10.612 4.340 -6.219 1.00 0.00 H new ATOM 0 HH12 ARG A 155 -12.081 5.093 -5.590 1.00 0.00 H new ATOM 0 HH21 ARG A 155 -13.999 4.274 -8.396 1.00 0.00 H new ATOM 0 HH22 ARG A 155 -13.982 5.056 -6.812 1.00 0.00 H new ATOM 555 N THR A 156 -5.915 -0.154 -9.464 1.00 0.00 N ATOM 556 CA THR A 156 -4.477 -0.400 -9.381 1.00 0.00 C ATOM 557 C THR A 156 -3.905 -0.769 -10.739 1.00 0.00 C ATOM 558 O THR A 156 -2.695 -0.946 -10.894 1.00 0.00 O ATOM 559 CB THR A 156 -4.188 -1.507 -8.364 1.00 0.00 C ATOM 560 OG1 THR A 156 -4.598 -1.079 -7.074 1.00 0.00 O ATOM 561 CG2 THR A 156 -2.687 -1.831 -8.351 1.00 0.00 C ATOM 0 H THR A 156 -6.479 -0.709 -8.820 1.00 0.00 H new ATOM 0 HA THR A 156 -3.994 0.520 -9.051 1.00 0.00 H new ATOM 0 HB THR A 156 -4.740 -2.405 -8.643 1.00 0.00 H new ATOM 0 HG1 THR A 156 -5.573 -0.978 -7.057 1.00 0.00 H new ATOM 0 HG21 THR A 156 -2.491 -2.620 -7.624 1.00 0.00 H new ATOM 0 HG22 THR A 156 -2.378 -2.165 -9.341 1.00 0.00 H new ATOM 0 HG23 THR A 156 -2.124 -0.938 -8.078 1.00 0.00 H new ATOM 569 N LEU A 157 -4.783 -0.872 -11.714 1.00 0.00 N ATOM 570 CA LEU A 157 -4.381 -1.211 -13.069 1.00 0.00 C ATOM 571 C LEU A 157 -5.519 -0.961 -14.052 1.00 0.00 C ATOM 572 O LEU A 157 -6.120 -1.903 -14.571 1.00 0.00 O ATOM 573 CB LEU A 157 -3.977 -2.682 -13.139 1.00 0.00 C ATOM 574 CG LEU A 157 -5.081 -3.579 -12.493 1.00 0.00 C ATOM 575 CD1 LEU A 157 -5.507 -4.689 -13.459 1.00 0.00 C ATOM 576 CD2 LEU A 157 -4.555 -4.225 -11.199 1.00 0.00 C ATOM 0 H LEU A 157 -5.785 -0.726 -11.596 1.00 0.00 H new ATOM 0 HA LEU A 157 -3.535 -0.579 -13.339 1.00 0.00 H new ATOM 0 HB2 LEU A 157 -3.823 -2.975 -14.178 1.00 0.00 H new ATOM 0 HB3 LEU A 157 -3.029 -2.831 -12.622 1.00 0.00 H new ATOM 0 HG LEU A 157 -5.938 -2.945 -12.267 1.00 0.00 H new ATOM 0 HD11 LEU A 157 -6.276 -5.303 -12.991 1.00 0.00 H new ATOM 0 HD12 LEU A 157 -5.903 -4.245 -14.372 1.00 0.00 H new ATOM 0 HD13 LEU A 157 -4.645 -5.310 -13.702 1.00 0.00 H new ATOM 0 HD21 LEU A 157 -5.335 -4.847 -10.760 1.00 0.00 H new ATOM 0 HD22 LEU A 157 -3.685 -4.841 -11.427 1.00 0.00 H new ATOM 0 HD23 LEU A 157 -4.272 -3.445 -10.492 1.00 0.00 H new ATOM 588 N GLY A 158 -5.804 0.306 -14.305 1.00 0.00 N ATOM 589 CA GLY A 158 -6.869 0.669 -15.232 1.00 0.00 C ATOM 590 C GLY A 158 -7.183 2.158 -15.136 1.00 0.00 C ATOM 591 O GLY A 158 -7.053 2.892 -16.116 1.00 0.00 O ATOM 0 H GLY A 158 -5.317 1.098 -13.885 1.00 0.00 H new ATOM 0 HA2 GLY A 158 -6.572 0.420 -16.251 1.00 0.00 H new ATOM 0 HA3 GLY A 158 -7.764 0.088 -15.010 1.00 0.00 H new ATOM 595 N TYR A 159 -7.592 2.595 -13.952 1.00 0.00 N ATOM 596 CA TYR A 159 -7.918 4.001 -13.737 1.00 0.00 C ATOM 597 C TYR A 159 -8.885 4.499 -14.806 1.00 0.00 C ATOM 598 O TYR A 159 -9.150 5.698 -14.905 1.00 0.00 O ATOM 599 CB TYR A 159 -6.646 4.843 -13.769 1.00 0.00 C ATOM 600 CG TYR A 159 -5.684 4.337 -12.721 1.00 0.00 C ATOM 601 CD1 TYR A 159 -5.801 4.768 -11.396 1.00 0.00 C ATOM 602 CD2 TYR A 159 -4.674 3.438 -13.080 1.00 0.00 C ATOM 603 CE1 TYR A 159 -4.906 4.300 -10.427 1.00 0.00 C ATOM 604 CE2 TYR A 159 -3.778 2.968 -12.111 1.00 0.00 C ATOM 605 CZ TYR A 159 -3.893 3.401 -10.786 1.00 0.00 C ATOM 606 OH TYR A 159 -3.012 2.937 -9.830 1.00 0.00 O ATOM 0 H TYR A 159 -7.706 2.002 -13.130 1.00 0.00 H new ATOM 0 HA TYR A 159 -8.393 4.097 -12.761 1.00 0.00 H new ATOM 0 HB2 TYR A 159 -6.187 4.790 -14.756 1.00 0.00 H new ATOM 0 HB3 TYR A 159 -6.885 5.890 -13.584 1.00 0.00 H new ATOM 0 HD1 TYR A 159 -6.582 5.462 -11.120 1.00 0.00 H new ATOM 0 HD2 TYR A 159 -4.585 3.106 -14.104 1.00 0.00 H new ATOM 0 HE1 TYR A 159 -4.996 4.632 -9.403 1.00 0.00 H new ATOM 0 HE2 TYR A 159 -2.999 2.272 -12.387 1.00 0.00 H new ATOM 0 HH TYR A 159 -2.373 2.321 -10.245 1.00 0.00 H new ATOM 616 N MET A 160 -9.413 3.570 -15.598 1.00 0.00 N ATOM 617 CA MET A 160 -10.361 3.917 -16.653 1.00 0.00 C ATOM 618 C MET A 160 -11.774 4.046 -16.081 1.00 0.00 C ATOM 619 O MET A 160 -12.532 4.929 -16.480 1.00 0.00 O ATOM 620 CB MET A 160 -10.342 2.839 -17.761 1.00 0.00 C ATOM 621 CG MET A 160 -10.520 3.492 -19.133 1.00 0.00 C ATOM 622 SD MET A 160 -8.998 4.360 -19.573 1.00 0.00 S ATOM 623 CE MET A 160 -8.220 3.000 -20.475 1.00 0.00 C ATOM 0 H MET A 160 -9.202 2.574 -15.530 1.00 0.00 H new ATOM 0 HA MET A 160 -10.066 4.875 -17.081 1.00 0.00 H new ATOM 0 HB2 MET A 160 -9.400 2.291 -17.730 1.00 0.00 H new ATOM 0 HB3 MET A 160 -11.138 2.115 -17.588 1.00 0.00 H new ATOM 0 HG2 MET A 160 -10.752 2.736 -19.883 1.00 0.00 H new ATOM 0 HG3 MET A 160 -11.358 4.188 -19.113 1.00 0.00 H new ATOM 0 HE1 MET A 160 -7.246 3.319 -20.845 1.00 0.00 H new ATOM 0 HE2 MET A 160 -8.093 2.147 -19.809 1.00 0.00 H new ATOM 0 HE3 MET A 160 -8.851 2.713 -21.316 1.00 0.00 H new ATOM 633 N PRO A 161 -12.144 3.179 -15.165 1.00 0.00 N ATOM 634 CA PRO A 161 -13.502 3.199 -14.549 1.00 0.00 C ATOM 635 C PRO A 161 -13.804 4.540 -13.890 1.00 0.00 C ATOM 636 O PRO A 161 -12.944 5.131 -13.238 1.00 0.00 O ATOM 637 CB PRO A 161 -13.447 2.060 -13.508 1.00 0.00 C ATOM 638 CG PRO A 161 -12.333 1.171 -13.957 1.00 0.00 C ATOM 639 CD PRO A 161 -11.314 2.093 -14.612 1.00 0.00 C ATOM 0 HA PRO A 161 -14.295 3.063 -15.284 1.00 0.00 H new ATOM 0 HB2 PRO A 161 -13.260 2.450 -12.507 1.00 0.00 H new ATOM 0 HB3 PRO A 161 -14.392 1.518 -13.468 1.00 0.00 H new ATOM 0 HG2 PRO A 161 -11.894 0.637 -13.115 1.00 0.00 H new ATOM 0 HG3 PRO A 161 -12.691 0.419 -14.660 1.00 0.00 H new ATOM 0 HD2 PRO A 161 -10.589 2.469 -13.890 1.00 0.00 H new ATOM 0 HD3 PRO A 161 -10.751 1.580 -15.392 1.00 0.00 H new ATOM 647 N THR A 162 -15.035 5.015 -14.061 1.00 0.00 N ATOM 648 CA THR A 162 -15.453 6.284 -13.474 1.00 0.00 C ATOM 649 C THR A 162 -16.364 6.043 -12.275 1.00 0.00 C ATOM 650 O THR A 162 -16.102 6.538 -11.179 1.00 0.00 O ATOM 651 CB THR A 162 -16.189 7.122 -14.520 1.00 0.00 C ATOM 652 OG1 THR A 162 -15.294 7.442 -15.577 1.00 0.00 O ATOM 653 CG2 THR A 162 -16.699 8.412 -13.874 1.00 0.00 C ATOM 0 H THR A 162 -15.759 4.541 -14.600 1.00 0.00 H new ATOM 0 HA THR A 162 -14.566 6.821 -13.138 1.00 0.00 H new ATOM 0 HB THR A 162 -17.034 6.557 -14.914 1.00 0.00 H new ATOM 0 HG1 THR A 162 -15.762 7.978 -16.251 1.00 0.00 H new ATOM 0 HG21 THR A 162 -17.224 9.010 -14.620 1.00 0.00 H new ATOM 0 HG22 THR A 162 -17.381 8.166 -13.060 1.00 0.00 H new ATOM 0 HG23 THR A 162 -15.856 8.980 -13.481 1.00 0.00 H new ATOM 661 N GLU A 163 -17.432 5.282 -12.494 1.00 0.00 N ATOM 662 CA GLU A 163 -18.379 4.986 -11.423 1.00 0.00 C ATOM 663 C GLU A 163 -19.431 3.986 -11.895 1.00 0.00 C ATOM 664 O GLU A 163 -19.835 3.096 -11.144 1.00 0.00 O ATOM 665 CB GLU A 163 -19.070 6.276 -10.971 1.00 0.00 C ATOM 666 CG GLU A 163 -19.953 6.809 -12.102 1.00 0.00 C ATOM 667 CD GLU A 163 -20.410 8.227 -11.782 1.00 0.00 C ATOM 668 OE1 GLU A 163 -19.616 8.975 -11.234 1.00 0.00 O ATOM 669 OE2 GLU A 163 -21.548 8.546 -12.088 1.00 0.00 O ATOM 0 H GLU A 163 -17.663 4.862 -13.395 1.00 0.00 H new ATOM 0 HA GLU A 163 -17.830 4.551 -10.588 1.00 0.00 H new ATOM 0 HB2 GLU A 163 -19.674 6.085 -10.084 1.00 0.00 H new ATOM 0 HB3 GLU A 163 -18.325 7.022 -10.695 1.00 0.00 H new ATOM 0 HG2 GLU A 163 -19.400 6.800 -13.041 1.00 0.00 H new ATOM 0 HG3 GLU A 163 -20.819 6.160 -12.235 1.00 0.00 H new ATOM 676 N MET A 164 -19.876 4.140 -13.134 1.00 0.00 N ATOM 677 CA MET A 164 -20.891 3.252 -13.683 1.00 0.00 C ATOM 678 C MET A 164 -20.352 1.828 -13.770 1.00 0.00 C ATOM 679 O MET A 164 -21.089 0.862 -13.577 1.00 0.00 O ATOM 680 CB MET A 164 -21.293 3.735 -15.080 1.00 0.00 C ATOM 681 CG MET A 164 -21.947 5.119 -14.986 1.00 0.00 C ATOM 682 SD MET A 164 -23.509 5.007 -14.075 1.00 0.00 S ATOM 683 CE MET A 164 -24.476 4.134 -15.336 1.00 0.00 C ATOM 0 H MET A 164 -19.553 4.866 -13.774 1.00 0.00 H new ATOM 0 HA MET A 164 -21.762 3.261 -13.028 1.00 0.00 H new ATOM 0 HB2 MET A 164 -20.415 3.781 -15.725 1.00 0.00 H new ATOM 0 HB3 MET A 164 -21.985 3.026 -15.534 1.00 0.00 H new ATOM 0 HG2 MET A 164 -21.274 5.815 -14.485 1.00 0.00 H new ATOM 0 HG3 MET A 164 -22.127 5.514 -15.986 1.00 0.00 H new ATOM 0 HE1 MET A 164 -25.536 4.345 -15.192 1.00 0.00 H new ATOM 0 HE2 MET A 164 -24.170 4.471 -16.327 1.00 0.00 H new ATOM 0 HE3 MET A 164 -24.304 3.061 -15.248 1.00 0.00 H new ATOM 693 N GLU A 165 -19.063 1.706 -14.053 1.00 0.00 N ATOM 694 CA GLU A 165 -18.438 0.397 -14.148 1.00 0.00 C ATOM 695 C GLU A 165 -18.250 -0.206 -12.761 1.00 0.00 C ATOM 696 O GLU A 165 -18.463 -1.400 -12.554 1.00 0.00 O ATOM 697 CB GLU A 165 -17.088 0.508 -14.857 1.00 0.00 C ATOM 698 CG GLU A 165 -17.314 0.868 -16.327 1.00 0.00 C ATOM 699 CD GLU A 165 -15.974 1.034 -17.037 1.00 0.00 C ATOM 700 OE1 GLU A 165 -14.956 0.872 -16.382 1.00 0.00 O ATOM 701 OE2 GLU A 165 -15.986 1.316 -18.223 1.00 0.00 O ATOM 0 H GLU A 165 -18.434 2.492 -14.220 1.00 0.00 H new ATOM 0 HA GLU A 165 -19.090 -0.257 -14.727 1.00 0.00 H new ATOM 0 HB2 GLU A 165 -16.473 1.268 -14.375 1.00 0.00 H new ATOM 0 HB3 GLU A 165 -16.546 -0.435 -14.781 1.00 0.00 H new ATOM 0 HG2 GLU A 165 -17.899 0.088 -16.815 1.00 0.00 H new ATOM 0 HG3 GLU A 165 -17.890 1.791 -16.399 1.00 0.00 H new ATOM 708 N LEU A 166 -17.848 0.635 -11.813 1.00 0.00 N ATOM 709 CA LEU A 166 -17.632 0.191 -10.443 1.00 0.00 C ATOM 710 C LEU A 166 -18.943 -0.241 -9.813 1.00 0.00 C ATOM 711 O LEU A 166 -18.984 -1.177 -9.012 1.00 0.00 O ATOM 712 CB LEU A 166 -16.997 1.326 -9.625 1.00 0.00 C ATOM 713 CG LEU A 166 -15.481 1.405 -9.912 1.00 0.00 C ATOM 714 CD1 LEU A 166 -14.977 2.826 -9.638 1.00 0.00 C ATOM 715 CD2 LEU A 166 -14.715 0.423 -9.006 1.00 0.00 C ATOM 0 H LEU A 166 -17.666 1.626 -11.970 1.00 0.00 H new ATOM 0 HA LEU A 166 -16.957 -0.665 -10.451 1.00 0.00 H new ATOM 0 HB2 LEU A 166 -17.472 2.275 -9.875 1.00 0.00 H new ATOM 0 HB3 LEU A 166 -17.165 1.156 -8.562 1.00 0.00 H new ATOM 0 HG LEU A 166 -15.311 1.144 -10.956 1.00 0.00 H new ATOM 0 HD11 LEU A 166 -13.907 2.878 -9.841 1.00 0.00 H new ATOM 0 HD12 LEU A 166 -15.504 3.530 -10.283 1.00 0.00 H new ATOM 0 HD13 LEU A 166 -15.161 3.082 -8.595 1.00 0.00 H new ATOM 0 HD21 LEU A 166 -13.648 0.489 -9.218 1.00 0.00 H new ATOM 0 HD22 LEU A 166 -14.893 0.677 -7.961 1.00 0.00 H new ATOM 0 HD23 LEU A 166 -15.061 -0.593 -9.196 1.00 0.00 H new ATOM 727 N LEU A 167 -20.016 0.446 -10.171 1.00 0.00 N ATOM 728 CA LEU A 167 -21.317 0.123 -9.616 1.00 0.00 C ATOM 729 C LEU A 167 -21.703 -1.305 -9.977 1.00 0.00 C ATOM 730 O LEU A 167 -22.240 -2.040 -9.147 1.00 0.00 O ATOM 731 CB LEU A 167 -22.373 1.096 -10.155 1.00 0.00 C ATOM 732 CG LEU A 167 -23.759 0.759 -9.573 1.00 0.00 C ATOM 733 CD1 LEU A 167 -23.731 0.861 -8.037 1.00 0.00 C ATOM 734 CD2 LEU A 167 -24.795 1.737 -10.145 1.00 0.00 C ATOM 0 H LEU A 167 -20.012 1.221 -10.835 1.00 0.00 H new ATOM 0 HA LEU A 167 -21.266 0.213 -8.531 1.00 0.00 H new ATOM 0 HB2 LEU A 167 -22.101 2.119 -9.895 1.00 0.00 H new ATOM 0 HB3 LEU A 167 -22.405 1.042 -11.243 1.00 0.00 H new ATOM 0 HG LEU A 167 -24.028 -0.261 -9.847 1.00 0.00 H new ATOM 0 HD11 LEU A 167 -24.717 0.620 -7.638 1.00 0.00 H new ATOM 0 HD12 LEU A 167 -22.998 0.160 -7.639 1.00 0.00 H new ATOM 0 HD13 LEU A 167 -23.459 1.875 -7.745 1.00 0.00 H new ATOM 0 HD21 LEU A 167 -25.779 1.504 -9.737 1.00 0.00 H new ATOM 0 HD22 LEU A 167 -24.522 2.757 -9.874 1.00 0.00 H new ATOM 0 HD23 LEU A 167 -24.821 1.645 -11.231 1.00 0.00 H new ATOM 746 N GLU A 168 -21.436 -1.691 -11.217 1.00 0.00 N ATOM 747 CA GLU A 168 -21.771 -3.031 -11.673 1.00 0.00 C ATOM 748 C GLU A 168 -21.084 -4.077 -10.805 1.00 0.00 C ATOM 749 O GLU A 168 -21.708 -5.051 -10.381 1.00 0.00 O ATOM 750 CB GLU A 168 -21.338 -3.207 -13.130 1.00 0.00 C ATOM 751 CG GLU A 168 -22.191 -2.308 -14.030 1.00 0.00 C ATOM 752 CD GLU A 168 -21.707 -2.405 -15.471 1.00 0.00 C ATOM 753 OE1 GLU A 168 -20.755 -3.132 -15.708 1.00 0.00 O ATOM 754 OE2 GLU A 168 -22.295 -1.753 -16.318 1.00 0.00 O ATOM 0 H GLU A 168 -20.992 -1.100 -11.920 1.00 0.00 H new ATOM 0 HA GLU A 168 -22.850 -3.165 -11.596 1.00 0.00 H new ATOM 0 HB2 GLU A 168 -20.284 -2.954 -13.240 1.00 0.00 H new ATOM 0 HB3 GLU A 168 -21.448 -4.249 -13.430 1.00 0.00 H new ATOM 0 HG2 GLU A 168 -23.238 -2.606 -13.968 1.00 0.00 H new ATOM 0 HG3 GLU A 168 -22.133 -1.275 -13.687 1.00 0.00 H new ATOM 761 N VAL A 169 -19.803 -3.865 -10.539 1.00 0.00 N ATOM 762 CA VAL A 169 -19.034 -4.791 -9.718 1.00 0.00 C ATOM 763 C VAL A 169 -19.597 -4.853 -8.304 1.00 0.00 C ATOM 764 O VAL A 169 -19.697 -5.927 -7.708 1.00 0.00 O ATOM 765 CB VAL A 169 -17.568 -4.354 -9.668 1.00 0.00 C ATOM 766 CG1 VAL A 169 -16.803 -5.212 -8.654 1.00 0.00 C ATOM 767 CG2 VAL A 169 -16.935 -4.528 -11.051 1.00 0.00 C ATOM 0 H VAL A 169 -19.274 -3.062 -10.879 1.00 0.00 H new ATOM 0 HA VAL A 169 -19.102 -5.783 -10.166 1.00 0.00 H new ATOM 0 HB VAL A 169 -17.519 -3.307 -9.368 1.00 0.00 H new ATOM 0 HG11 VAL A 169 -15.760 -4.896 -8.623 1.00 0.00 H new ATOM 0 HG12 VAL A 169 -17.248 -5.092 -7.666 1.00 0.00 H new ATOM 0 HG13 VAL A 169 -16.856 -6.260 -8.950 1.00 0.00 H new ATOM 0 HG21 VAL A 169 -15.891 -4.217 -11.015 1.00 0.00 H new ATOM 0 HG22 VAL A 169 -16.991 -5.575 -11.348 1.00 0.00 H new ATOM 0 HG23 VAL A 169 -17.471 -3.916 -11.776 1.00 0.00 H new ATOM 777 N SER A 170 -19.961 -3.695 -7.773 1.00 0.00 N ATOM 778 CA SER A 170 -20.513 -3.619 -6.426 1.00 0.00 C ATOM 779 C SER A 170 -21.854 -4.339 -6.354 1.00 0.00 C ATOM 780 O SER A 170 -22.356 -4.623 -5.269 1.00 0.00 O ATOM 781 CB SER A 170 -20.690 -2.161 -6.011 1.00 0.00 C ATOM 782 OG SER A 170 -21.564 -1.515 -6.928 1.00 0.00 O ATOM 0 H SER A 170 -19.885 -2.797 -8.251 1.00 0.00 H new ATOM 0 HA SER A 170 -19.816 -4.105 -5.743 1.00 0.00 H new ATOM 0 HB2 SER A 170 -21.097 -2.105 -5.001 1.00 0.00 H new ATOM 0 HB3 SER A 170 -19.724 -1.656 -5.994 1.00 0.00 H new ATOM 0 HG SER A 170 -21.776 -2.127 -7.664 1.00 0.00 H new ATOM 788 N GLN A 171 -22.436 -4.628 -7.519 1.00 0.00 N ATOM 789 CA GLN A 171 -23.724 -5.319 -7.576 1.00 0.00 C ATOM 790 C GLN A 171 -23.517 -6.824 -7.733 1.00 0.00 C ATOM 791 O GLN A 171 -24.441 -7.614 -7.531 1.00 0.00 O ATOM 792 CB GLN A 171 -24.545 -4.786 -8.752 1.00 0.00 C ATOM 793 CG GLN A 171 -25.979 -5.310 -8.651 1.00 0.00 C ATOM 794 CD GLN A 171 -26.848 -4.662 -9.721 1.00 0.00 C ATOM 795 OE1 GLN A 171 -26.327 -3.775 -10.523 1.00 0.00 O flip ATOM 796 NE2 GLN A 171 -28.034 -4.970 -9.828 1.00 0.00 N flip ATOM 0 H GLN A 171 -22.039 -4.396 -8.429 1.00 0.00 H new ATOM 0 HA GLN A 171 -24.260 -5.135 -6.645 1.00 0.00 H new ATOM 0 HB2 GLN A 171 -24.543 -3.696 -8.746 1.00 0.00 H new ATOM 0 HB3 GLN A 171 -24.097 -5.100 -9.695 1.00 0.00 H new ATOM 0 HG2 GLN A 171 -25.988 -6.393 -8.771 1.00 0.00 H new ATOM 0 HG3 GLN A 171 -26.385 -5.095 -7.662 1.00 0.00 H new ATOM 0 HE21 GLN A 171 -28.439 -5.664 -9.200 1.00 0.00 H new ATOM 0 HE22 GLN A 171 -28.612 -4.532 -10.545 1.00 0.00 H new ATOM 805 N HIS A 172 -22.299 -7.216 -8.089 1.00 0.00 N ATOM 806 CA HIS A 172 -21.979 -8.629 -8.269 1.00 0.00 C ATOM 807 C HIS A 172 -22.086 -9.377 -6.945 1.00 0.00 C ATOM 808 O HIS A 172 -22.057 -10.607 -6.904 1.00 0.00 O ATOM 809 CB HIS A 172 -20.565 -8.782 -8.831 1.00 0.00 C ATOM 810 CG HIS A 172 -20.343 -10.208 -9.249 1.00 0.00 C ATOM 811 ND1 HIS A 172 -20.024 -11.203 -8.339 1.00 0.00 N ATOM 812 CD2 HIS A 172 -20.391 -10.824 -10.476 1.00 0.00 C ATOM 813 CE1 HIS A 172 -19.894 -12.354 -9.024 1.00 0.00 C ATOM 814 NE2 HIS A 172 -20.107 -12.179 -10.332 1.00 0.00 N ATOM 0 H HIS A 172 -21.520 -6.580 -8.258 1.00 0.00 H new ATOM 0 HA HIS A 172 -22.695 -9.054 -8.973 1.00 0.00 H new ATOM 0 HB2 HIS A 172 -20.427 -8.116 -9.683 1.00 0.00 H new ATOM 0 HB3 HIS A 172 -19.830 -8.494 -8.079 1.00 0.00 H new ATOM 0 HD1 HIS A 172 -19.909 -11.085 -7.332 1.00 0.00 H new ATOM 0 HD2 HIS A 172 -20.615 -10.332 -11.411 1.00 0.00 H new ATOM 0 HE1 HIS A 172 -19.648 -13.303 -8.572 1.00 0.00 H new ATOM 822 N VAL A 173 -22.205 -8.620 -5.862 1.00 0.00 N ATOM 823 CA VAL A 173 -22.312 -9.209 -4.533 1.00 0.00 C ATOM 824 C VAL A 173 -23.584 -10.033 -4.413 1.00 0.00 C ATOM 825 O VAL A 173 -23.574 -11.121 -3.838 1.00 0.00 O ATOM 826 CB VAL A 173 -22.304 -8.119 -3.463 1.00 0.00 C ATOM 827 CG1 VAL A 173 -22.067 -8.751 -2.083 1.00 0.00 C ATOM 828 CG2 VAL A 173 -21.193 -7.111 -3.768 1.00 0.00 C ATOM 0 H VAL A 173 -22.230 -7.600 -5.877 1.00 0.00 H new ATOM 0 HA VAL A 173 -21.452 -9.862 -4.383 1.00 0.00 H new ATOM 0 HB VAL A 173 -23.266 -7.606 -3.461 1.00 0.00 H new ATOM 0 HG11 VAL A 173 -22.062 -7.971 -1.322 1.00 0.00 H new ATOM 0 HG12 VAL A 173 -22.863 -9.463 -1.867 1.00 0.00 H new ATOM 0 HG13 VAL A 173 -21.107 -9.268 -2.079 1.00 0.00 H new ATOM 0 HG21 VAL A 173 -21.188 -6.333 -3.004 1.00 0.00 H new ATOM 0 HG22 VAL A 173 -20.230 -7.621 -3.773 1.00 0.00 H new ATOM 0 HG23 VAL A 173 -21.369 -6.659 -4.744 1.00 0.00 H new ATOM 925 N GLY A 179 -19.906 -10.109 0.272 1.00 0.00 N ATOM 926 CA GLY A 179 -19.701 -11.290 -0.579 1.00 0.00 C ATOM 927 C GLY A 179 -18.236 -11.740 -0.546 1.00 0.00 C ATOM 928 O GLY A 179 -17.386 -11.035 -0.001 1.00 0.00 O ATOM 0 HA2 GLY A 179 -20.343 -12.103 -0.240 1.00 0.00 H new ATOM 0 HA3 GLY A 179 -19.992 -11.060 -1.604 1.00 0.00 H new ATOM 932 N PHE A 180 -17.934 -12.918 -1.125 1.00 0.00 N ATOM 933 CA PHE A 180 -16.566 -13.433 -1.144 1.00 0.00 C ATOM 934 C PHE A 180 -16.066 -13.527 -2.579 1.00 0.00 C ATOM 935 O PHE A 180 -16.747 -14.066 -3.451 1.00 0.00 O ATOM 936 CB PHE A 180 -16.537 -14.817 -0.503 1.00 0.00 C ATOM 937 CG PHE A 180 -16.739 -14.682 0.989 1.00 0.00 C ATOM 938 CD1 PHE A 180 -15.691 -14.224 1.793 1.00 0.00 C ATOM 939 CD2 PHE A 180 -17.973 -15.013 1.565 1.00 0.00 C ATOM 940 CE1 PHE A 180 -15.874 -14.095 3.175 1.00 0.00 C ATOM 941 CE2 PHE A 180 -18.155 -14.883 2.948 1.00 0.00 C ATOM 942 CZ PHE A 180 -17.104 -14.425 3.752 1.00 0.00 C ATOM 0 H PHE A 180 -18.619 -13.521 -1.581 1.00 0.00 H new ATOM 0 HA PHE A 180 -15.920 -12.756 -0.585 1.00 0.00 H new ATOM 0 HB2 PHE A 180 -17.318 -15.445 -0.932 1.00 0.00 H new ATOM 0 HB3 PHE A 180 -15.585 -15.306 -0.710 1.00 0.00 H new ATOM 0 HD1 PHE A 180 -14.740 -13.970 1.348 1.00 0.00 H new ATOM 0 HD2 PHE A 180 -18.782 -15.368 0.944 1.00 0.00 H new ATOM 0 HE1 PHE A 180 -15.065 -13.740 3.796 1.00 0.00 H new ATOM 0 HE2 PHE A 180 -19.106 -15.136 3.394 1.00 0.00 H new ATOM 0 HZ PHE A 180 -17.244 -14.327 4.818 1.00 0.00 H new ATOM 952 N VAL A 181 -14.865 -13.000 -2.820 1.00 0.00 N ATOM 953 CA VAL A 181 -14.271 -13.030 -4.157 1.00 0.00 C ATOM 954 C VAL A 181 -12.813 -13.471 -4.076 1.00 0.00 C ATOM 955 O VAL A 181 -11.986 -12.809 -3.445 1.00 0.00 O ATOM 956 CB VAL A 181 -14.351 -11.636 -4.789 1.00 0.00 C ATOM 957 CG1 VAL A 181 -13.569 -11.615 -6.105 1.00 0.00 C ATOM 958 CG2 VAL A 181 -15.813 -11.290 -5.069 1.00 0.00 C ATOM 0 H VAL A 181 -14.287 -12.549 -2.111 1.00 0.00 H new ATOM 0 HA VAL A 181 -14.823 -13.741 -4.772 1.00 0.00 H new ATOM 0 HB VAL A 181 -13.922 -10.907 -4.102 1.00 0.00 H new ATOM 0 HG11 VAL A 181 -13.630 -10.621 -6.549 1.00 0.00 H new ATOM 0 HG12 VAL A 181 -12.525 -11.863 -5.912 1.00 0.00 H new ATOM 0 HG13 VAL A 181 -13.994 -12.346 -6.793 1.00 0.00 H new ATOM 0 HG21 VAL A 181 -15.873 -10.299 -5.519 1.00 0.00 H new ATOM 0 HG22 VAL A 181 -16.236 -12.025 -5.754 1.00 0.00 H new ATOM 0 HG23 VAL A 181 -16.374 -11.299 -4.135 1.00 0.00 H new ATOM 968 N ASP A 182 -12.509 -14.589 -4.724 1.00 0.00 N ATOM 969 CA ASP A 182 -11.149 -15.115 -4.732 1.00 0.00 C ATOM 970 C ASP A 182 -10.370 -14.530 -5.899 1.00 0.00 C ATOM 971 O ASP A 182 -10.901 -13.725 -6.667 1.00 0.00 O ATOM 972 CB ASP A 182 -11.175 -16.643 -4.835 1.00 0.00 C ATOM 973 CG ASP A 182 -12.212 -17.075 -5.860 1.00 0.00 C ATOM 974 OD1 ASP A 182 -13.390 -16.969 -5.562 1.00 0.00 O ATOM 975 OD2 ASP A 182 -11.813 -17.506 -6.926 1.00 0.00 O ATOM 0 H ASP A 182 -13.182 -15.147 -5.249 1.00 0.00 H new ATOM 0 HA ASP A 182 -10.658 -14.832 -3.801 1.00 0.00 H new ATOM 0 HB2 ASP A 182 -10.191 -17.014 -5.122 1.00 0.00 H new ATOM 0 HB3 ASP A 182 -11.408 -17.078 -3.863 1.00 0.00 H new ATOM 980 N PHE A 183 -9.116 -14.937 -6.031 1.00 0.00 N ATOM 981 CA PHE A 183 -8.280 -14.442 -7.111 1.00 0.00 C ATOM 982 C PHE A 183 -8.861 -14.841 -8.460 1.00 0.00 C ATOM 983 O PHE A 183 -8.912 -14.035 -9.387 1.00 0.00 O ATOM 984 CB PHE A 183 -6.859 -14.999 -6.973 1.00 0.00 C ATOM 985 CG PHE A 183 -5.950 -14.339 -7.988 1.00 0.00 C ATOM 986 CD1 PHE A 183 -5.702 -12.963 -7.909 1.00 0.00 C ATOM 987 CD2 PHE A 183 -5.351 -15.098 -9.005 1.00 0.00 C ATOM 988 CE1 PHE A 183 -4.862 -12.345 -8.840 1.00 0.00 C ATOM 989 CE2 PHE A 183 -4.509 -14.477 -9.937 1.00 0.00 C ATOM 990 CZ PHE A 183 -4.266 -13.099 -9.852 1.00 0.00 C ATOM 0 H PHE A 183 -8.659 -15.603 -5.408 1.00 0.00 H new ATOM 0 HA PHE A 183 -8.246 -13.354 -7.052 1.00 0.00 H new ATOM 0 HB2 PHE A 183 -6.485 -14.820 -5.965 1.00 0.00 H new ATOM 0 HB3 PHE A 183 -6.865 -16.078 -7.124 1.00 0.00 H new ATOM 0 HD1 PHE A 183 -6.161 -12.377 -7.126 1.00 0.00 H new ATOM 0 HD2 PHE A 183 -5.539 -16.160 -9.069 1.00 0.00 H new ATOM 0 HE1 PHE A 183 -4.674 -11.283 -8.776 1.00 0.00 H new ATOM 0 HE2 PHE A 183 -4.047 -15.060 -10.720 1.00 0.00 H new ATOM 0 HZ PHE A 183 -3.617 -12.620 -10.570 1.00 0.00 H new ATOM 1000 N GLU A 184 -9.299 -16.088 -8.568 1.00 0.00 N ATOM 1001 CA GLU A 184 -9.865 -16.573 -9.815 1.00 0.00 C ATOM 1002 C GLU A 184 -11.140 -15.818 -10.160 1.00 0.00 C ATOM 1003 O GLU A 184 -11.358 -15.458 -11.313 1.00 0.00 O ATOM 1004 CB GLU A 184 -10.166 -18.073 -9.702 1.00 0.00 C ATOM 1005 CG GLU A 184 -10.649 -18.611 -11.050 1.00 0.00 C ATOM 1006 CD GLU A 184 -10.886 -20.118 -10.957 1.00 0.00 C ATOM 1007 OE1 GLU A 184 -10.869 -20.635 -9.851 1.00 0.00 O ATOM 1008 OE2 GLU A 184 -11.081 -20.732 -11.991 1.00 0.00 O ATOM 0 H GLU A 184 -9.273 -16.775 -7.814 1.00 0.00 H new ATOM 0 HA GLU A 184 -9.138 -16.406 -10.610 1.00 0.00 H new ATOM 0 HB2 GLU A 184 -9.271 -18.609 -9.386 1.00 0.00 H new ATOM 0 HB3 GLU A 184 -10.926 -18.244 -8.939 1.00 0.00 H new ATOM 0 HG2 GLU A 184 -11.570 -18.107 -11.343 1.00 0.00 H new ATOM 0 HG3 GLU A 184 -9.910 -18.398 -11.822 1.00 0.00 H new ATOM 1015 N GLU A 185 -11.974 -15.571 -9.159 1.00 0.00 N ATOM 1016 CA GLU A 185 -13.222 -14.857 -9.380 1.00 0.00 C ATOM 1017 C GLU A 185 -12.942 -13.403 -9.712 1.00 0.00 C ATOM 1018 O GLU A 185 -13.615 -12.802 -10.550 1.00 0.00 O ATOM 1019 CB GLU A 185 -14.107 -14.961 -8.135 1.00 0.00 C ATOM 1020 CG GLU A 185 -14.657 -16.386 -7.999 1.00 0.00 C ATOM 1021 CD GLU A 185 -15.639 -16.684 -9.128 1.00 0.00 C ATOM 1022 OE1 GLU A 185 -16.159 -15.738 -9.695 1.00 0.00 O ATOM 1023 OE2 GLU A 185 -15.868 -17.852 -9.396 1.00 0.00 O ATOM 0 H GLU A 185 -11.810 -15.853 -8.192 1.00 0.00 H new ATOM 0 HA GLU A 185 -13.746 -15.308 -10.223 1.00 0.00 H new ATOM 0 HB2 GLU A 185 -13.532 -14.698 -7.247 1.00 0.00 H new ATOM 0 HB3 GLU A 185 -14.930 -14.250 -8.204 1.00 0.00 H new ATOM 0 HG2 GLU A 185 -13.837 -17.104 -8.022 1.00 0.00 H new ATOM 0 HG3 GLU A 185 -15.154 -16.501 -7.036 1.00 0.00 H new ATOM 1030 N PHE A 186 -11.935 -12.848 -9.058 1.00 0.00 N ATOM 1031 CA PHE A 186 -11.561 -11.469 -9.304 1.00 0.00 C ATOM 1032 C PHE A 186 -11.105 -11.294 -10.752 1.00 0.00 C ATOM 1033 O PHE A 186 -11.525 -10.364 -11.434 1.00 0.00 O ATOM 1034 CB PHE A 186 -10.439 -11.053 -8.320 1.00 0.00 C ATOM 1035 CG PHE A 186 -9.525 -10.031 -8.970 1.00 0.00 C ATOM 1036 CD1 PHE A 186 -9.985 -8.736 -9.232 1.00 0.00 C ATOM 1037 CD2 PHE A 186 -8.229 -10.404 -9.336 1.00 0.00 C ATOM 1038 CE1 PHE A 186 -9.148 -7.811 -9.866 1.00 0.00 C ATOM 1039 CE2 PHE A 186 -7.386 -9.478 -9.965 1.00 0.00 C ATOM 1040 CZ PHE A 186 -7.846 -8.180 -10.231 1.00 0.00 C ATOM 0 H PHE A 186 -11.368 -13.328 -8.359 1.00 0.00 H new ATOM 0 HA PHE A 186 -12.426 -10.826 -9.142 1.00 0.00 H new ATOM 0 HB2 PHE A 186 -10.877 -10.636 -7.413 1.00 0.00 H new ATOM 0 HB3 PHE A 186 -9.863 -11.929 -8.022 1.00 0.00 H new ATOM 0 HD1 PHE A 186 -10.986 -8.450 -8.945 1.00 0.00 H new ATOM 0 HD2 PHE A 186 -7.877 -11.405 -9.134 1.00 0.00 H new ATOM 0 HE1 PHE A 186 -9.505 -6.813 -10.074 1.00 0.00 H new ATOM 0 HE2 PHE A 186 -6.383 -9.764 -10.245 1.00 0.00 H new ATOM 0 HZ PHE A 186 -7.198 -7.466 -10.717 1.00 0.00 H new ATOM 1050 N VAL A 187 -10.229 -12.188 -11.200 1.00 0.00 N ATOM 1051 CA VAL A 187 -9.702 -12.101 -12.558 1.00 0.00 C ATOM 1052 C VAL A 187 -10.814 -12.264 -13.582 1.00 0.00 C ATOM 1053 O VAL A 187 -10.882 -11.518 -14.557 1.00 0.00 O ATOM 1054 CB VAL A 187 -8.628 -13.178 -12.776 1.00 0.00 C ATOM 1055 CG1 VAL A 187 -8.267 -13.264 -14.263 1.00 0.00 C ATOM 1056 CG2 VAL A 187 -7.369 -12.820 -11.977 1.00 0.00 C ATOM 0 H VAL A 187 -9.873 -12.971 -10.652 1.00 0.00 H new ATOM 0 HA VAL A 187 -9.255 -11.115 -12.689 1.00 0.00 H new ATOM 0 HB VAL A 187 -9.019 -14.138 -12.440 1.00 0.00 H new ATOM 0 HG11 VAL A 187 -7.505 -14.030 -14.409 1.00 0.00 H new ATOM 0 HG12 VAL A 187 -9.156 -13.522 -14.839 1.00 0.00 H new ATOM 0 HG13 VAL A 187 -7.883 -12.301 -14.600 1.00 0.00 H new ATOM 0 HG21 VAL A 187 -6.609 -13.585 -12.133 1.00 0.00 H new ATOM 0 HG22 VAL A 187 -6.987 -11.856 -12.312 1.00 0.00 H new ATOM 0 HG23 VAL A 187 -7.615 -12.764 -10.917 1.00 0.00 H new ATOM 1066 N GLU A 188 -11.674 -13.251 -13.350 1.00 0.00 N ATOM 1067 CA GLU A 188 -12.782 -13.524 -14.265 1.00 0.00 C ATOM 1068 C GLU A 188 -13.383 -12.222 -14.778 1.00 0.00 C ATOM 1069 O GLU A 188 -13.670 -12.090 -15.964 1.00 0.00 O ATOM 1070 CB GLU A 188 -13.862 -14.359 -13.548 1.00 0.00 C ATOM 1071 CG GLU A 188 -13.483 -15.844 -13.583 1.00 0.00 C ATOM 1072 CD GLU A 188 -13.640 -16.381 -14.999 1.00 0.00 C ATOM 1073 OE1 GLU A 188 -14.702 -16.193 -15.567 1.00 0.00 O ATOM 1074 OE2 GLU A 188 -12.695 -16.973 -15.493 1.00 0.00 O ATOM 0 H GLU A 188 -11.628 -13.872 -12.542 1.00 0.00 H new ATOM 0 HA GLU A 188 -12.401 -14.089 -15.116 1.00 0.00 H new ATOM 0 HB2 GLU A 188 -13.966 -14.026 -12.515 1.00 0.00 H new ATOM 0 HB3 GLU A 188 -14.828 -14.210 -14.030 1.00 0.00 H new ATOM 0 HG2 GLU A 188 -12.455 -15.975 -13.246 1.00 0.00 H new ATOM 0 HG3 GLU A 188 -14.117 -16.407 -12.898 1.00 0.00 H new ATOM 1081 N LEU A 189 -13.568 -11.266 -13.883 1.00 0.00 N ATOM 1082 CA LEU A 189 -14.141 -9.988 -14.276 1.00 0.00 C ATOM 1083 C LEU A 189 -13.266 -9.291 -15.318 1.00 0.00 C ATOM 1084 O LEU A 189 -13.767 -8.780 -16.320 1.00 0.00 O ATOM 1085 CB LEU A 189 -14.281 -9.092 -13.029 1.00 0.00 C ATOM 1086 CG LEU A 189 -15.650 -9.308 -12.361 1.00 0.00 C ATOM 1087 CD1 LEU A 189 -15.571 -8.941 -10.870 1.00 0.00 C ATOM 1088 CD2 LEU A 189 -16.683 -8.407 -13.050 1.00 0.00 C ATOM 0 H LEU A 189 -13.334 -11.347 -12.893 1.00 0.00 H new ATOM 0 HA LEU A 189 -15.120 -10.165 -14.720 1.00 0.00 H new ATOM 0 HB2 LEU A 189 -13.484 -9.318 -12.320 1.00 0.00 H new ATOM 0 HB3 LEU A 189 -14.169 -8.045 -13.312 1.00 0.00 H new ATOM 0 HG LEU A 189 -15.940 -10.355 -12.455 1.00 0.00 H new ATOM 0 HD11 LEU A 189 -16.544 -9.097 -10.405 1.00 0.00 H new ATOM 0 HD12 LEU A 189 -14.829 -9.571 -10.379 1.00 0.00 H new ATOM 0 HD13 LEU A 189 -15.283 -7.895 -10.768 1.00 0.00 H new ATOM 0 HD21 LEU A 189 -17.659 -8.551 -12.585 1.00 0.00 H new ATOM 0 HD22 LEU A 189 -16.382 -7.364 -12.947 1.00 0.00 H new ATOM 0 HD23 LEU A 189 -16.743 -8.665 -14.107 1.00 0.00 H new ATOM 1100 N ILE A 190 -11.967 -9.277 -15.079 1.00 0.00 N ATOM 1101 CA ILE A 190 -11.045 -8.637 -16.001 1.00 0.00 C ATOM 1102 C ILE A 190 -10.721 -9.565 -17.162 1.00 0.00 C ATOM 1103 O ILE A 190 -10.263 -9.125 -18.216 1.00 0.00 O ATOM 1104 CB ILE A 190 -9.765 -8.250 -15.265 1.00 0.00 C ATOM 1105 CG1 ILE A 190 -10.085 -7.213 -14.176 1.00 0.00 C ATOM 1106 CG2 ILE A 190 -8.789 -7.639 -16.266 1.00 0.00 C ATOM 1107 CD1 ILE A 190 -10.776 -7.871 -12.975 1.00 0.00 C ATOM 0 H ILE A 190 -11.528 -9.698 -14.260 1.00 0.00 H new ATOM 0 HA ILE A 190 -11.515 -7.738 -16.400 1.00 0.00 H new ATOM 0 HB ILE A 190 -9.327 -9.134 -14.802 1.00 0.00 H new ATOM 0 HG12 ILE A 190 -9.165 -6.728 -13.850 1.00 0.00 H new ATOM 0 HG13 ILE A 190 -10.727 -6.435 -14.588 1.00 0.00 H new ATOM 0 HG21 ILE A 190 -7.870 -7.358 -15.753 1.00 0.00 H new ATOM 0 HG22 ILE A 190 -8.562 -8.368 -17.044 1.00 0.00 H new ATOM 0 HG23 ILE A 190 -9.237 -6.754 -16.718 1.00 0.00 H new ATOM 0 HD11 ILE A 190 -10.991 -7.115 -12.220 1.00 0.00 H new ATOM 0 HD12 ILE A 190 -11.708 -8.334 -13.300 1.00 0.00 H new ATOM 0 HD13 ILE A 190 -10.121 -8.632 -12.550 1.00 0.00 H new ATOM 1119 N SER A 191 -10.958 -10.857 -16.957 1.00 0.00 N ATOM 1120 CA SER A 191 -10.681 -11.846 -17.990 1.00 0.00 C ATOM 1121 C SER A 191 -11.470 -13.125 -17.733 1.00 0.00 C ATOM 1122 O SER A 191 -10.864 -14.096 -17.311 1.00 0.00 O ATOM 1123 CB SER A 191 -9.187 -12.163 -18.015 1.00 0.00 C ATOM 1124 OG SER A 191 -8.969 -13.341 -18.778 1.00 0.00 O ATOM 0 H SER A 191 -11.338 -11.240 -16.092 1.00 0.00 H new ATOM 0 HA SER A 191 -10.983 -11.435 -18.953 1.00 0.00 H new ATOM 0 HB2 SER A 191 -8.634 -11.329 -18.447 1.00 0.00 H new ATOM 0 HB3 SER A 191 -8.816 -12.300 -16.999 1.00 0.00 H new ATOM 0 HG SER A 191 -9.379 -14.106 -18.323 1.00 0.00 H new