USER MOD reduce.3.24.130724 H: found=0, std=0, add=1327, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1324 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 120 THR OG1 : rot -150:sc= 1.5 USER MOD Set 1.2: A 134 SER OG : rot -106:sc= 1.15 USER MOD Set 2.1: A 92 HIS : no HE2:sc= -0.497 K(o=-1.8,f=-4.7) USER MOD Set 2.2: A 94 MET CE :methyl 172:sc= -1.67 (180deg=-1.76) USER MOD Set 2.3: A 121 GLN : amide:sc= 0.348 K(o=-1.8,f=-8.4!) USER MOD Set 3.1: A 43 SER OG : rot -110:sc= 0.204 USER MOD Set 3.2: A 63 TYR OH : rot -44:sc= 0.263 USER MOD Set 3.3: A 136 SER OG : rot -75:sc= 0.296 USER MOD Set 4.1: A 48 HIS : no HE2:sc= 0.19 K(o=-0.44,f=-8!) USER MOD Set 4.2: A 166 MET CE :methyl 135:sc= -0.633 (180deg=-1.6) USER MOD Set 5.1: A 42 TYR OH : rot -152:sc= 0.164 USER MOD Set 5.2: A 62 ASN : amide:sc= -0.0653 K(o=0.098,f=-1.1!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -169:sc= 0 (180deg=-0.0636) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 MET CE :methyl -175:sc= 0 (180deg=-0.054) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.173 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -0.2 X(o=-0.2,f=-0.011) USER MOD Single : A 33 GLN : amide:sc= 0.445 X(o=0.45,f=0) USER MOD Single : A 35 GLN : amide:sc= 0.974 K(o=0.97,f=-0.79) USER MOD Single : A 36 GLN : amide:sc= -0.318 X(o=-0.32,f=0) USER MOD Single : A 39 TYR OH : rot 165:sc= -0.0139 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 CYS SG : rot 23:sc= 0.0473 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -156:sc= 1.92 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 159:sc= 0.942 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 ASN : amide:sc= -0.0139 K(o=-0.014,f=-1) USER MOD Single : A 87 ASN : amide:sc= 0.733 K(o=0.73,f=0) USER MOD Single : A 89 SER OG : rot -30:sc= 0.127 USER MOD Single : A 90 GLN : amide:sc= -0.0496 K(o=-0.05,f=-0.71) USER MOD Single : A 96 ASN : amide:sc= 0.646 K(o=0.65,f=-0.047) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 113 HIS : no HE2:sc= -0.348 K(o=-0.35,f=-3.5!) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl 180:sc= -0.241 (180deg=-0.241) USER MOD Single : A 138 CYS SG : rot 55:sc= 0.0486 USER MOD Single : A 139 SER OG : rot 36:sc= -0.0305 USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 151 GLN : amide:sc= -0.252 X(o=-0.25,f=-0.68) USER MOD Single : A 153 LYS NZ :NH3+ 168:sc= 1.1 (180deg=0.99) USER MOD Single : A 154 MET CE :methyl -178:sc= -0.253 (180deg=-0.275) USER MOD Single : A 155 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 161 SER OG : rot 180:sc= 0 USER MOD Single : A 163 MET CE :methyl -160:sc= -0.101 (180deg=-0.402) USER MOD Single : A 169 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 128 N TRP A 9 -2.821 18.879 9.413 1.00 1.11 N ATOM 129 CA TRP A 9 -3.065 17.902 8.347 1.00 1.00 C ATOM 130 C TRP A 9 -3.287 16.518 8.964 1.00 0.81 C ATOM 131 O TRP A 9 -4.288 15.858 8.682 1.00 0.70 O ATOM 132 CB TRP A 9 -1.861 17.925 7.385 1.00 1.05 C ATOM 133 CG TRP A 9 -1.898 17.048 6.163 1.00 1.06 C ATOM 134 CD1 TRP A 9 -2.067 15.705 6.143 1.00 1.69 C ATOM 135 CD2 TRP A 9 -1.695 17.433 4.765 1.00 1.73 C ATOM 136 NE1 TRP A 9 -2.033 15.245 4.843 1.00 1.48 N ATOM 137 CE2 TRP A 9 -1.795 16.265 3.949 1.00 1.38 C ATOM 138 CE3 TRP A 9 -1.424 18.650 4.099 1.00 3.16 C ATOM 139 CZ2 TRP A 9 -1.650 16.301 2.554 1.00 2.09 C ATOM 140 CZ3 TRP A 9 -1.266 18.698 2.700 1.00 4.08 C ATOM 141 CH2 TRP A 9 -1.380 17.529 1.927 1.00 3.49 C ATOM 0 HA TRP A 9 -3.963 18.151 7.781 1.00 1.00 H new ATOM 0 HB2 TRP A 9 -1.725 18.953 7.050 1.00 1.05 H new ATOM 0 HB3 TRP A 9 -0.974 17.656 7.959 1.00 1.05 H new ATOM 0 HD1 TRP A 9 -2.208 15.085 7.016 1.00 1.69 H new ATOM 0 HE1 TRP A 9 -2.168 14.270 4.577 1.00 1.48 H new ATOM 0 HE3 TRP A 9 -1.336 19.560 4.674 1.00 3.16 H new ATOM 0 HZ2 TRP A 9 -1.745 15.397 1.970 1.00 2.09 H new ATOM 0 HZ3 TRP A 9 -1.056 19.641 2.217 1.00 4.08 H new ATOM 0 HH2 TRP A 9 -1.260 17.575 0.855 1.00 3.49 H new ATOM 152 N ARG A 10 -2.397 16.115 9.879 1.00 0.80 N ATOM 153 CA ARG A 10 -2.501 14.846 10.609 1.00 0.69 C ATOM 154 C ARG A 10 -3.768 14.806 11.480 1.00 0.69 C ATOM 155 O ARG A 10 -4.492 13.816 11.457 1.00 0.61 O ATOM 156 CB ARG A 10 -1.212 14.637 11.422 1.00 0.80 C ATOM 157 CG ARG A 10 -1.237 13.323 12.216 1.00 0.88 C ATOM 158 CD ARG A 10 0.094 13.069 12.940 1.00 1.44 C ATOM 159 NE ARG A 10 -0.133 12.490 14.279 1.00 1.83 N ATOM 160 CZ ARG A 10 -0.504 13.157 15.369 1.00 2.68 C ATOM 161 NH1 ARG A 10 -0.660 14.467 15.372 1.00 3.62 N ATOM 162 NH2 ARG A 10 -0.733 12.506 16.488 1.00 3.53 N ATOM 0 H ARG A 10 -1.577 16.665 10.136 1.00 0.80 H new ATOM 0 HA ARG A 10 -2.601 14.019 9.906 1.00 0.69 H new ATOM 0 HB2 ARG A 10 -0.355 14.637 10.748 1.00 0.80 H new ATOM 0 HB3 ARG A 10 -1.077 15.473 12.109 1.00 0.80 H new ATOM 0 HG2 ARG A 10 -2.047 13.354 12.945 1.00 0.88 H new ATOM 0 HG3 ARG A 10 -1.447 12.494 11.540 1.00 0.88 H new ATOM 0 HD2 ARG A 10 0.711 12.393 12.348 1.00 1.44 H new ATOM 0 HD3 ARG A 10 0.645 14.005 13.033 1.00 1.44 H new ATOM 0 HE ARG A 10 0.008 11.485 14.378 1.00 1.83 H new ATOM 0 HH11 ARG A 10 -0.495 15.002 14.519 1.00 3.62 H new ATOM 0 HH12 ARG A 10 -0.946 14.945 16.227 1.00 3.62 H new ATOM 0 HH21 ARG A 10 -0.626 11.492 16.519 1.00 3.53 H new ATOM 0 HH22 ARG A 10 -1.017 13.015 17.325 1.00 3.53 H new ATOM 176 N ARG A 11 -4.094 15.903 12.174 1.00 0.82 N ATOM 177 CA ARG A 11 -5.292 16.065 13.021 1.00 0.88 C ATOM 178 C ARG A 11 -6.589 15.960 12.211 1.00 0.76 C ATOM 179 O ARG A 11 -7.565 15.374 12.688 1.00 0.82 O ATOM 180 CB ARG A 11 -5.171 17.413 13.765 1.00 1.09 C ATOM 181 CG ARG A 11 -6.366 17.816 14.644 1.00 1.45 C ATOM 182 CD ARG A 11 -7.461 18.596 13.894 1.00 2.55 C ATOM 183 NE ARG A 11 -8.600 18.921 14.772 1.00 2.70 N ATOM 184 CZ ARG A 11 -9.550 18.088 15.183 1.00 3.31 C ATOM 185 NH1 ARG A 11 -9.559 16.811 14.859 1.00 4.48 N ATOM 186 NH2 ARG A 11 -10.523 18.540 15.945 1.00 3.54 N ATOM 0 H ARG A 11 -3.509 16.739 12.163 1.00 0.82 H new ATOM 0 HA ARG A 11 -5.343 15.253 13.746 1.00 0.88 H new ATOM 0 HB2 ARG A 11 -4.281 17.378 14.393 1.00 1.09 H new ATOM 0 HB3 ARG A 11 -5.010 18.198 13.026 1.00 1.09 H new ATOM 0 HG2 ARG A 11 -6.806 16.917 15.076 1.00 1.45 H new ATOM 0 HG3 ARG A 11 -6.005 18.424 15.474 1.00 1.45 H new ATOM 0 HD2 ARG A 11 -7.040 19.516 13.490 1.00 2.55 H new ATOM 0 HD3 ARG A 11 -7.812 18.007 13.047 1.00 2.55 H new ATOM 0 HE ARG A 11 -8.665 19.885 15.098 1.00 2.70 H new ATOM 0 HH11 ARG A 11 -8.818 16.429 14.272 1.00 4.48 H new ATOM 0 HH12 ARG A 11 -10.307 16.205 15.195 1.00 4.48 H new ATOM 0 HH21 ARG A 11 -10.544 19.523 16.216 1.00 3.54 H new ATOM 0 HH22 ARG A 11 -11.256 17.907 16.265 1.00 3.54 H new ATOM 200 N THR A 12 -6.600 16.518 10.997 1.00 0.73 N ATOM 201 CA THR A 12 -7.717 16.445 10.041 1.00 0.69 C ATOM 202 C THR A 12 -7.889 15.023 9.529 1.00 0.55 C ATOM 203 O THR A 12 -9.004 14.513 9.527 1.00 0.54 O ATOM 204 CB THR A 12 -7.496 17.444 8.897 1.00 0.80 C ATOM 205 OG1 THR A 12 -7.471 18.742 9.444 1.00 0.95 O ATOM 206 CG2 THR A 12 -8.615 17.405 7.856 1.00 0.82 C ATOM 0 H THR A 12 -5.808 17.051 10.638 1.00 0.73 H new ATOM 0 HA THR A 12 -8.642 16.720 10.548 1.00 0.69 H new ATOM 0 HB THR A 12 -6.561 17.177 8.404 1.00 0.80 H new ATOM 0 HG1 THR A 12 -7.329 19.396 8.728 1.00 0.95 H new ATOM 0 HG21 THR A 12 -8.407 18.132 7.071 1.00 0.82 H new ATOM 0 HG22 THR A 12 -8.673 16.407 7.421 1.00 0.82 H new ATOM 0 HG23 THR A 12 -9.564 17.649 8.333 1.00 0.82 H new ATOM 214 N MET A 13 -6.796 14.348 9.165 1.00 0.50 N ATOM 215 CA MET A 13 -6.836 12.950 8.725 1.00 0.46 C ATOM 216 C MET A 13 -7.316 12.033 9.855 1.00 0.45 C ATOM 217 O MET A 13 -8.213 11.232 9.622 1.00 0.50 O ATOM 218 CB MET A 13 -5.442 12.501 8.237 1.00 0.54 C ATOM 219 CG MET A 13 -5.314 12.366 6.714 1.00 0.88 C ATOM 220 SD MET A 13 -5.018 13.886 5.775 1.00 1.48 S ATOM 221 CE MET A 13 -6.697 14.511 5.557 1.00 1.23 C ATOM 0 H MET A 13 -5.860 14.753 9.167 1.00 0.50 H new ATOM 0 HA MET A 13 -7.543 12.876 7.899 1.00 0.46 H new ATOM 0 HB2 MET A 13 -4.700 13.217 8.589 1.00 0.54 H new ATOM 0 HB3 MET A 13 -5.202 11.542 8.696 1.00 0.54 H new ATOM 0 HG2 MET A 13 -4.499 11.673 6.503 1.00 0.88 H new ATOM 0 HG3 MET A 13 -6.228 11.907 6.337 1.00 0.88 H new ATOM 0 HE1 MET A 13 -6.690 15.329 4.837 1.00 1.23 H new ATOM 0 HE2 MET A 13 -7.339 13.710 5.190 1.00 1.23 H new ATOM 0 HE3 MET A 13 -7.078 14.872 6.512 1.00 1.23 H new ATOM 231 N LEU A 14 -6.811 12.196 11.084 1.00 0.51 N ATOM 232 CA LEU A 14 -7.183 11.377 12.248 1.00 0.64 C ATOM 233 C LEU A 14 -8.690 11.435 12.503 1.00 0.63 C ATOM 234 O LEU A 14 -9.314 10.404 12.756 1.00 0.74 O ATOM 235 CB LEU A 14 -6.380 11.840 13.495 1.00 0.79 C ATOM 236 CG LEU A 14 -5.244 10.864 13.864 1.00 1.07 C ATOM 237 CD1 LEU A 14 -4.198 11.485 14.799 1.00 2.38 C ATOM 238 CD2 LEU A 14 -5.803 9.590 14.517 1.00 1.56 C ATOM 0 H LEU A 14 -6.120 12.913 11.303 1.00 0.51 H new ATOM 0 HA LEU A 14 -6.932 10.337 12.041 1.00 0.64 H new ATOM 0 HB2 LEU A 14 -5.959 12.827 13.305 1.00 0.79 H new ATOM 0 HB3 LEU A 14 -7.058 11.940 14.343 1.00 0.79 H new ATOM 0 HG LEU A 14 -4.749 10.618 12.924 1.00 1.07 H new ATOM 0 HD11 LEU A 14 -3.426 10.749 15.021 1.00 2.38 H new ATOM 0 HD12 LEU A 14 -3.745 12.350 14.315 1.00 2.38 H new ATOM 0 HD13 LEU A 14 -4.679 11.798 15.726 1.00 2.38 H new ATOM 0 HD21 LEU A 14 -4.981 8.919 14.767 1.00 1.56 H new ATOM 0 HD22 LEU A 14 -6.345 9.854 15.425 1.00 1.56 H new ATOM 0 HD23 LEU A 14 -6.480 9.092 13.822 1.00 1.56 H new ATOM 250 N LEU A 15 -9.286 12.624 12.360 1.00 0.56 N ATOM 251 CA LEU A 15 -10.729 12.823 12.486 1.00 0.56 C ATOM 252 C LEU A 15 -11.468 12.116 11.343 1.00 0.55 C ATOM 253 O LEU A 15 -12.397 11.355 11.602 1.00 0.64 O ATOM 254 CB LEU A 15 -10.979 14.347 12.532 1.00 0.57 C ATOM 255 CG LEU A 15 -12.336 14.843 13.073 1.00 0.66 C ATOM 256 CD1 LEU A 15 -13.513 14.461 12.171 1.00 0.68 C ATOM 257 CD2 LEU A 15 -12.600 14.364 14.508 1.00 0.80 C ATOM 0 H LEU A 15 -8.773 13.481 12.152 1.00 0.56 H new ATOM 0 HA LEU A 15 -11.121 12.379 13.401 1.00 0.56 H new ATOM 0 HB2 LEU A 15 -10.193 14.796 13.140 1.00 0.57 H new ATOM 0 HB3 LEU A 15 -10.861 14.735 11.520 1.00 0.57 H new ATOM 0 HG LEU A 15 -12.261 15.930 13.080 1.00 0.66 H new ATOM 0 HD11 LEU A 15 -14.440 14.837 12.604 1.00 0.68 H new ATOM 0 HD12 LEU A 15 -13.371 14.898 11.182 1.00 0.68 H new ATOM 0 HD13 LEU A 15 -13.567 13.376 12.084 1.00 0.68 H new ATOM 0 HD21 LEU A 15 -13.567 14.739 14.845 1.00 0.80 H new ATOM 0 HD22 LEU A 15 -12.604 13.274 14.533 1.00 0.80 H new ATOM 0 HD23 LEU A 15 -11.816 14.739 15.167 1.00 0.80 H new ATOM 269 N ARG A 16 -11.006 12.276 10.098 1.00 0.51 N ATOM 270 CA ARG A 16 -11.612 11.650 8.911 1.00 0.57 C ATOM 271 C ARG A 16 -11.573 10.117 8.995 1.00 0.61 C ATOM 272 O ARG A 16 -12.588 9.458 8.781 1.00 0.72 O ATOM 273 CB ARG A 16 -10.918 12.177 7.643 1.00 0.57 C ATOM 274 CG ARG A 16 -11.299 13.648 7.405 1.00 0.67 C ATOM 275 CD ARG A 16 -10.421 14.333 6.357 1.00 0.71 C ATOM 276 NE ARG A 16 -10.832 14.007 4.975 1.00 1.05 N ATOM 277 CZ ARG A 16 -11.266 14.837 4.028 1.00 1.45 C ATOM 278 NH1 ARG A 16 -11.504 16.117 4.252 1.00 2.49 N ATOM 279 NH2 ARG A 16 -11.470 14.370 2.815 1.00 2.08 N ATOM 0 H ARG A 16 -10.191 12.850 9.881 1.00 0.51 H new ATOM 0 HA ARG A 16 -12.666 11.924 8.867 1.00 0.57 H new ATOM 0 HB2 ARG A 16 -9.837 12.085 7.746 1.00 0.57 H new ATOM 0 HB3 ARG A 16 -11.209 11.574 6.783 1.00 0.57 H new ATOM 0 HG2 ARG A 16 -12.341 13.701 7.088 1.00 0.67 H new ATOM 0 HG3 ARG A 16 -11.224 14.193 8.346 1.00 0.67 H new ATOM 0 HD2 ARG A 16 -10.464 15.413 6.501 1.00 0.71 H new ATOM 0 HD3 ARG A 16 -9.383 14.033 6.505 1.00 0.71 H new ATOM 0 HE ARG A 16 -10.776 13.023 4.714 1.00 1.05 H new ATOM 0 HH11 ARG A 16 -11.356 16.508 5.182 1.00 2.49 H new ATOM 0 HH12 ARG A 16 -11.836 16.714 3.495 1.00 2.49 H new ATOM 0 HH21 ARG A 16 -11.296 13.386 2.611 1.00 2.08 H new ATOM 0 HH22 ARG A 16 -11.802 14.992 2.078 1.00 2.08 H new ATOM 293 N PHE A 17 -10.439 9.542 9.402 1.00 0.58 N ATOM 294 CA PHE A 17 -10.246 8.102 9.600 1.00 0.67 C ATOM 295 C PHE A 17 -11.099 7.549 10.755 1.00 0.79 C ATOM 296 O PHE A 17 -11.624 6.442 10.641 1.00 0.90 O ATOM 297 CB PHE A 17 -8.747 7.834 9.808 1.00 0.65 C ATOM 298 CG PHE A 17 -7.898 7.988 8.554 1.00 0.62 C ATOM 299 CD1 PHE A 17 -8.172 7.231 7.399 1.00 1.51 C ATOM 300 CD2 PHE A 17 -6.782 8.843 8.563 1.00 1.87 C ATOM 301 CE1 PHE A 17 -7.340 7.341 6.268 1.00 1.51 C ATOM 302 CE2 PHE A 17 -5.925 8.929 7.454 1.00 1.92 C ATOM 303 CZ PHE A 17 -6.214 8.186 6.297 1.00 0.72 C ATOM 0 H PHE A 17 -9.600 10.084 9.610 1.00 0.58 H new ATOM 0 HA PHE A 17 -10.588 7.572 8.711 1.00 0.67 H new ATOM 0 HB2 PHE A 17 -8.372 8.515 10.571 1.00 0.65 H new ATOM 0 HB3 PHE A 17 -8.622 6.822 10.194 1.00 0.65 H new ATOM 0 HD1 PHE A 17 -9.022 6.565 7.380 1.00 1.51 H new ATOM 0 HD2 PHE A 17 -6.580 9.444 9.438 1.00 1.87 H new ATOM 0 HE1 PHE A 17 -7.566 6.776 5.376 1.00 1.51 H new ATOM 0 HE2 PHE A 17 -5.050 9.561 7.490 1.00 1.92 H new ATOM 0 HZ PHE A 17 -5.573 8.263 5.431 1.00 0.72 H new ATOM 313 N GLN A 18 -11.309 8.329 11.821 1.00 0.79 N ATOM 314 CA GLN A 18 -12.261 8.006 12.893 1.00 0.92 C ATOM 315 C GLN A 18 -13.731 8.104 12.425 1.00 0.96 C ATOM 316 O GLN A 18 -14.600 7.441 12.996 1.00 1.13 O ATOM 317 CB GLN A 18 -11.966 8.940 14.084 1.00 0.93 C ATOM 318 CG GLN A 18 -12.690 8.543 15.381 1.00 1.21 C ATOM 319 CD GLN A 18 -12.169 9.340 16.580 1.00 2.14 C ATOM 320 OE1 GLN A 18 -12.681 10.399 16.931 1.00 2.34 O ATOM 321 NE2 GLN A 18 -11.126 8.882 17.247 1.00 3.49 N ATOM 0 H GLN A 18 -10.819 9.211 11.967 1.00 0.79 H new ATOM 0 HA GLN A 18 -12.130 6.967 13.197 1.00 0.92 H new ATOM 0 HB2 GLN A 18 -10.892 8.950 14.268 1.00 0.93 H new ATOM 0 HB3 GLN A 18 -12.253 9.957 13.816 1.00 0.93 H new ATOM 0 HG2 GLN A 18 -13.761 8.712 15.268 1.00 1.21 H new ATOM 0 HG3 GLN A 18 -12.553 7.477 15.564 1.00 1.21 H new ATOM 0 HE21 GLN A 18 -10.688 8.004 16.969 1.00 3.49 H new ATOM 0 HE22 GLN A 18 -10.758 9.406 18.041 1.00 3.49 H new ATOM 330 N ARG A 19 -14.019 8.898 11.381 1.00 0.86 N ATOM 331 CA ARG A 19 -15.370 9.143 10.856 1.00 0.95 C ATOM 332 C ARG A 19 -15.926 8.007 9.979 1.00 1.10 C ATOM 333 O ARG A 19 -17.149 7.849 9.910 1.00 1.35 O ATOM 334 CB ARG A 19 -15.380 10.454 10.037 1.00 0.88 C ATOM 335 CG ARG A 19 -16.640 11.290 10.302 1.00 0.99 C ATOM 336 CD ARG A 19 -16.494 12.094 11.600 1.00 0.86 C ATOM 337 NE ARG A 19 -17.782 12.660 12.038 1.00 1.20 N ATOM 338 CZ ARG A 19 -18.598 12.159 12.959 1.00 1.83 C ATOM 339 NH1 ARG A 19 -18.335 11.037 13.600 1.00 2.74 N ATOM 340 NH2 ARG A 19 -19.711 12.794 13.255 1.00 2.30 N ATOM 0 H ARG A 19 -13.297 9.401 10.865 1.00 0.86 H new ATOM 0 HA ARG A 19 -16.019 9.210 11.729 1.00 0.95 H new ATOM 0 HB2 ARG A 19 -14.496 11.042 10.284 1.00 0.88 H new ATOM 0 HB3 ARG A 19 -15.319 10.218 8.975 1.00 0.88 H new ATOM 0 HG2 ARG A 19 -16.815 11.968 9.466 1.00 0.99 H new ATOM 0 HG3 ARG A 19 -17.509 10.636 10.369 1.00 0.99 H new ATOM 0 HD2 ARG A 19 -16.094 11.451 12.384 1.00 0.86 H new ATOM 0 HD3 ARG A 19 -15.775 12.899 11.450 1.00 0.86 H new ATOM 0 HE ARG A 19 -18.078 13.526 11.588 1.00 1.20 H new ATOM 0 HH11 ARG A 19 -17.479 10.521 13.395 1.00 2.74 H new ATOM 0 HH12 ARG A 19 -18.987 10.685 14.301 1.00 2.74 H new ATOM 0 HH21 ARG A 19 -19.943 13.665 12.778 1.00 2.30 H new ATOM 0 HH22 ARG A 19 -20.342 12.415 13.961 1.00 2.30 H new ATOM 354 N MET A 20 -15.064 7.259 9.275 1.00 0.98 N ATOM 355 CA MET A 20 -15.456 6.327 8.202 1.00 1.01 C ATOM 356 C MET A 20 -16.524 5.306 8.619 1.00 1.15 C ATOM 357 O MET A 20 -16.396 4.659 9.662 1.00 2.29 O ATOM 358 CB MET A 20 -14.240 5.569 7.644 1.00 0.88 C ATOM 359 CG MET A 20 -13.091 6.473 7.189 1.00 0.89 C ATOM 360 SD MET A 20 -13.534 7.811 6.063 1.00 1.10 S ATOM 361 CE MET A 20 -11.856 8.343 5.670 1.00 0.75 C ATOM 0 H MET A 20 -14.057 7.283 9.436 1.00 0.98 H new ATOM 0 HA MET A 20 -15.893 6.963 7.432 1.00 1.01 H new ATOM 0 HB2 MET A 20 -13.869 4.886 8.409 1.00 0.88 H new ATOM 0 HB3 MET A 20 -14.562 4.958 6.801 1.00 0.88 H new ATOM 0 HG2 MET A 20 -12.626 6.908 8.073 1.00 0.89 H new ATOM 0 HG3 MET A 20 -12.337 5.852 6.705 1.00 0.89 H new ATOM 0 HE1 MET A 20 -11.894 9.234 5.044 1.00 0.75 H new ATOM 0 HE2 MET A 20 -11.321 8.570 6.592 1.00 0.75 H new ATOM 0 HE3 MET A 20 -11.337 7.547 5.136 1.00 0.75 H new ATOM 371 N GLU A 21 -17.546 5.124 7.780 1.00 0.81 N ATOM 372 CA GLU A 21 -18.597 4.113 7.991 1.00 0.89 C ATOM 373 C GLU A 21 -18.265 2.738 7.399 1.00 0.81 C ATOM 374 O GLU A 21 -18.768 1.725 7.897 1.00 0.85 O ATOM 375 CB GLU A 21 -19.964 4.594 7.478 1.00 1.09 C ATOM 376 CG GLU A 21 -20.037 5.141 6.050 1.00 3.09 C ATOM 377 CD GLU A 21 -21.500 5.291 5.596 1.00 3.70 C ATOM 378 OE1 GLU A 21 -22.211 6.195 6.099 1.00 3.35 O ATOM 379 OE2 GLU A 21 -21.952 4.504 4.732 1.00 5.03 O ATOM 0 H GLU A 21 -17.673 5.674 6.930 1.00 0.81 H new ATOM 0 HA GLU A 21 -18.648 3.985 9.072 1.00 0.89 H new ATOM 0 HB2 GLU A 21 -20.663 3.761 7.554 1.00 1.09 H new ATOM 0 HB3 GLU A 21 -20.321 5.372 8.153 1.00 1.09 H new ATOM 0 HG2 GLU A 21 -19.535 6.107 6.000 1.00 3.09 H new ATOM 0 HG3 GLU A 21 -19.508 4.471 5.372 1.00 3.09 H new ATOM 386 N THR A 22 -17.429 2.693 6.352 1.00 0.80 N ATOM 387 CA THR A 22 -17.085 1.458 5.619 1.00 0.83 C ATOM 388 C THR A 22 -15.599 1.343 5.299 1.00 0.78 C ATOM 389 O THR A 22 -14.891 2.338 5.127 1.00 0.72 O ATOM 390 CB THR A 22 -17.904 1.313 4.327 1.00 0.92 C ATOM 391 OG1 THR A 22 -17.563 2.341 3.424 1.00 0.91 O ATOM 392 CG2 THR A 22 -19.413 1.321 4.578 1.00 1.07 C ATOM 0 H THR A 22 -16.964 3.523 5.983 1.00 0.80 H new ATOM 0 HA THR A 22 -17.340 0.643 6.297 1.00 0.83 H new ATOM 0 HB THR A 22 -17.656 0.341 3.900 1.00 0.92 H new ATOM 0 HG1 THR A 22 -18.087 2.242 2.602 1.00 0.91 H new ATOM 0 HG21 THR A 22 -19.940 1.216 3.630 1.00 1.07 H new ATOM 0 HG22 THR A 22 -19.677 0.492 5.234 1.00 1.07 H new ATOM 0 HG23 THR A 22 -19.698 2.262 5.049 1.00 1.07 H new ATOM 400 N ALA A 23 -15.136 0.098 5.151 1.00 0.83 N ATOM 401 CA ALA A 23 -13.778 -0.227 4.706 1.00 0.81 C ATOM 402 C ALA A 23 -13.489 0.335 3.303 1.00 0.79 C ATOM 403 O ALA A 23 -12.358 0.724 3.009 1.00 0.78 O ATOM 404 CB ALA A 23 -13.619 -1.755 4.750 1.00 0.90 C ATOM 0 H ALA A 23 -15.705 -0.727 5.341 1.00 0.83 H new ATOM 0 HA ALA A 23 -13.050 0.240 5.370 1.00 0.81 H new ATOM 0 HB1 ALA A 23 -12.615 -2.026 4.423 1.00 0.90 H new ATOM 0 HB2 ALA A 23 -13.776 -2.108 5.769 1.00 0.90 H new ATOM 0 HB3 ALA A 23 -14.353 -2.216 4.089 1.00 0.90 H new ATOM 410 N GLU A 24 -14.526 0.436 2.465 1.00 0.84 N ATOM 411 CA GLU A 24 -14.456 1.108 1.171 1.00 0.87 C ATOM 412 C GLU A 24 -14.133 2.595 1.345 1.00 0.78 C ATOM 413 O GLU A 24 -13.219 3.094 0.695 1.00 0.81 O ATOM 414 CB GLU A 24 -15.740 0.903 0.354 1.00 0.99 C ATOM 415 CG GLU A 24 -16.016 -0.573 0.036 1.00 1.29 C ATOM 416 CD GLU A 24 -17.194 -0.698 -0.947 1.00 1.50 C ATOM 417 OE1 GLU A 24 -18.367 -0.658 -0.507 1.00 2.14 O ATOM 418 OE2 GLU A 24 -16.955 -0.830 -2.171 1.00 2.59 O ATOM 0 H GLU A 24 -15.446 0.048 2.672 1.00 0.84 H new ATOM 0 HA GLU A 24 -13.643 0.653 0.606 1.00 0.87 H new ATOM 0 HB2 GLU A 24 -16.585 1.315 0.905 1.00 0.99 H new ATOM 0 HB3 GLU A 24 -15.665 1.462 -0.578 1.00 0.99 H new ATOM 0 HG2 GLU A 24 -15.125 -1.032 -0.393 1.00 1.29 H new ATOM 0 HG3 GLU A 24 -16.242 -1.114 0.955 1.00 1.29 H new ATOM 425 N GLU A 25 -14.809 3.297 2.261 1.00 0.72 N ATOM 426 CA GLU A 25 -14.549 4.715 2.538 1.00 0.71 C ATOM 427 C GLU A 25 -13.127 4.948 3.097 1.00 0.66 C ATOM 428 O GLU A 25 -12.467 5.916 2.707 1.00 0.68 O ATOM 429 CB GLU A 25 -15.623 5.251 3.493 1.00 0.81 C ATOM 430 CG GLU A 25 -15.795 6.771 3.391 1.00 1.25 C ATOM 431 CD GLU A 25 -16.898 7.289 4.332 1.00 2.04 C ATOM 432 OE1 GLU A 25 -17.176 6.647 5.373 1.00 3.48 O ATOM 433 OE2 GLU A 25 -17.500 8.346 4.020 1.00 2.63 O ATOM 0 H GLU A 25 -15.553 2.898 2.833 1.00 0.72 H new ATOM 0 HA GLU A 25 -14.599 5.265 1.598 1.00 0.71 H new ATOM 0 HB2 GLU A 25 -16.574 4.766 3.274 1.00 0.81 H new ATOM 0 HB3 GLU A 25 -15.359 4.987 4.517 1.00 0.81 H new ATOM 0 HG2 GLU A 25 -14.852 7.260 3.634 1.00 1.25 H new ATOM 0 HG3 GLU A 25 -16.039 7.041 2.363 1.00 1.25 H new ATOM 440 N VAL A 26 -12.624 4.032 3.937 1.00 0.63 N ATOM 441 CA VAL A 26 -11.234 4.067 4.452 1.00 0.59 C ATOM 442 C VAL A 26 -10.222 4.022 3.300 1.00 0.62 C ATOM 443 O VAL A 26 -9.343 4.884 3.226 1.00 0.65 O ATOM 444 CB VAL A 26 -10.933 2.920 5.455 1.00 0.59 C ATOM 445 CG1 VAL A 26 -9.451 2.869 5.874 1.00 0.56 C ATOM 446 CG2 VAL A 26 -11.770 3.034 6.741 1.00 0.63 C ATOM 0 H VAL A 26 -13.166 3.241 4.284 1.00 0.63 H new ATOM 0 HA VAL A 26 -11.134 5.009 4.991 1.00 0.59 H new ATOM 0 HB VAL A 26 -11.195 2.010 4.916 1.00 0.59 H new ATOM 0 HG11 VAL A 26 -9.299 2.049 6.575 1.00 0.56 H new ATOM 0 HG12 VAL A 26 -8.829 2.713 4.993 1.00 0.56 H new ATOM 0 HG13 VAL A 26 -9.175 3.810 6.351 1.00 0.56 H new ATOM 0 HG21 VAL A 26 -11.523 2.210 7.410 1.00 0.63 H new ATOM 0 HG22 VAL A 26 -11.551 3.980 7.235 1.00 0.63 H new ATOM 0 HG23 VAL A 26 -12.830 2.993 6.490 1.00 0.63 H new ATOM 456 N TYR A 27 -10.345 3.052 2.384 1.00 0.66 N ATOM 457 CA TYR A 27 -9.414 2.936 1.255 1.00 0.71 C ATOM 458 C TYR A 27 -9.653 4.046 0.208 1.00 0.74 C ATOM 459 O TYR A 27 -8.724 4.508 -0.450 1.00 0.75 O ATOM 460 CB TYR A 27 -9.361 1.501 0.685 1.00 0.80 C ATOM 461 CG TYR A 27 -10.241 1.203 -0.514 1.00 0.86 C ATOM 462 CD1 TYR A 27 -9.940 1.775 -1.765 1.00 1.71 C ATOM 463 CD2 TYR A 27 -11.343 0.339 -0.391 1.00 1.57 C ATOM 464 CE1 TYR A 27 -10.803 1.580 -2.857 1.00 1.78 C ATOM 465 CE2 TYR A 27 -12.191 0.107 -1.492 1.00 1.62 C ATOM 466 CZ TYR A 27 -11.934 0.744 -2.726 1.00 1.03 C ATOM 467 OH TYR A 27 -12.762 0.553 -3.791 1.00 1.13 O ATOM 0 H TYR A 27 -11.076 2.341 2.403 1.00 0.66 H new ATOM 0 HA TYR A 27 -8.404 3.111 1.627 1.00 0.71 H new ATOM 0 HB2 TYR A 27 -8.329 1.284 0.410 1.00 0.80 H new ATOM 0 HB3 TYR A 27 -9.631 0.809 1.483 1.00 0.80 H new ATOM 0 HD1 TYR A 27 -9.044 2.365 -1.886 1.00 1.71 H new ATOM 0 HD2 TYR A 27 -11.541 -0.149 0.552 1.00 1.57 H new ATOM 0 HE1 TYR A 27 -10.601 2.070 -3.798 1.00 1.78 H new ATOM 0 HE2 TYR A 27 -13.037 -0.557 -1.392 1.00 1.62 H new ATOM 0 HH TYR A 27 -13.491 -0.050 -3.535 1.00 1.13 H new ATOM 477 N HIS A 28 -10.891 4.506 0.051 1.00 0.76 N ATOM 478 CA HIS A 28 -11.257 5.591 -0.856 1.00 0.82 C ATOM 479 C HIS A 28 -10.577 6.922 -0.484 1.00 0.78 C ATOM 480 O HIS A 28 -10.075 7.607 -1.368 1.00 0.86 O ATOM 481 CB HIS A 28 -12.784 5.706 -0.890 1.00 0.87 C ATOM 482 CG HIS A 28 -13.343 6.803 -1.759 1.00 1.01 C ATOM 483 ND1 HIS A 28 -14.228 7.772 -1.344 1.00 1.18 N ATOM 484 CD2 HIS A 28 -13.173 6.965 -3.109 1.00 1.09 C ATOM 485 CE1 HIS A 28 -14.595 8.489 -2.418 1.00 1.31 C ATOM 486 NE2 HIS A 28 -13.978 8.036 -3.525 1.00 1.26 N ATOM 0 H HIS A 28 -11.687 4.126 0.563 1.00 0.76 H new ATOM 0 HA HIS A 28 -10.894 5.357 -1.857 1.00 0.82 H new ATOM 0 HB2 HIS A 28 -13.193 4.755 -1.231 1.00 0.87 H new ATOM 0 HB3 HIS A 28 -13.140 5.859 0.129 1.00 0.87 H new ATOM 0 HD2 HIS A 28 -12.531 6.371 -3.743 1.00 1.09 H new ATOM 0 HE1 HIS A 28 -15.290 9.316 -2.397 1.00 1.31 H new ATOM 0 HE2 HIS A 28 -14.076 8.398 -4.474 1.00 1.26 H new ATOM 494 N GLU A 29 -10.505 7.293 0.800 1.00 0.71 N ATOM 495 CA GLU A 29 -9.793 8.522 1.198 1.00 0.72 C ATOM 496 C GLU A 29 -8.289 8.452 0.859 1.00 0.71 C ATOM 497 O GLU A 29 -7.717 9.413 0.339 1.00 0.76 O ATOM 498 CB GLU A 29 -10.005 8.753 2.702 1.00 0.73 C ATOM 499 CG GLU A 29 -9.456 10.084 3.235 1.00 1.02 C ATOM 500 CD GLU A 29 -10.426 11.239 2.979 1.00 1.29 C ATOM 501 OE1 GLU A 29 -11.289 11.497 3.844 1.00 2.42 O ATOM 502 OE2 GLU A 29 -10.314 11.945 1.951 1.00 2.21 O ATOM 0 H GLU A 29 -10.922 6.773 1.572 1.00 0.71 H new ATOM 0 HA GLU A 29 -10.201 9.361 0.634 1.00 0.72 H new ATOM 0 HB2 GLU A 29 -11.073 8.706 2.915 1.00 0.73 H new ATOM 0 HB3 GLU A 29 -9.534 7.937 3.250 1.00 0.73 H new ATOM 0 HG2 GLU A 29 -9.267 9.997 4.305 1.00 1.02 H new ATOM 0 HG3 GLU A 29 -8.499 10.300 2.759 1.00 1.02 H new ATOM 509 N ILE A 30 -7.634 7.312 1.117 1.00 0.67 N ATOM 510 CA ILE A 30 -6.190 7.158 0.818 1.00 0.69 C ATOM 511 C ILE A 30 -5.912 7.032 -0.687 1.00 0.73 C ATOM 512 O ILE A 30 -4.884 7.520 -1.154 1.00 0.77 O ATOM 513 CB ILE A 30 -5.546 6.015 1.634 1.00 0.67 C ATOM 514 CG1 ILE A 30 -6.062 4.638 1.196 1.00 0.65 C ATOM 515 CG2 ILE A 30 -5.790 6.250 3.135 1.00 0.70 C ATOM 516 CD1 ILE A 30 -5.541 3.459 2.007 1.00 0.69 C ATOM 0 H ILE A 30 -8.069 6.486 1.528 1.00 0.67 H new ATOM 0 HA ILE A 30 -5.707 8.081 1.140 1.00 0.69 H new ATOM 0 HB ILE A 30 -4.473 6.021 1.443 1.00 0.67 H new ATOM 0 HG12 ILE A 30 -7.151 4.642 1.250 1.00 0.65 H new ATOM 0 HG13 ILE A 30 -5.796 4.484 0.150 1.00 0.65 H new ATOM 0 HG21 ILE A 30 -5.335 5.442 3.708 1.00 0.70 H new ATOM 0 HG22 ILE A 30 -5.346 7.200 3.431 1.00 0.70 H new ATOM 0 HG23 ILE A 30 -6.862 6.274 3.330 1.00 0.70 H new ATOM 0 HD11 ILE A 30 -5.965 2.534 1.617 1.00 0.69 H new ATOM 0 HD12 ILE A 30 -4.454 3.419 1.934 1.00 0.69 H new ATOM 0 HD13 ILE A 30 -5.830 3.579 3.051 1.00 0.69 H new ATOM 528 N GLU A 31 -6.824 6.436 -1.461 1.00 0.74 N ATOM 529 CA GLU A 31 -6.683 6.312 -2.915 1.00 0.78 C ATOM 530 C GLU A 31 -6.946 7.652 -3.625 1.00 0.75 C ATOM 531 O GLU A 31 -6.203 8.027 -4.536 1.00 0.79 O ATOM 532 CB GLU A 31 -7.501 5.121 -3.447 1.00 0.84 C ATOM 533 CG GLU A 31 -8.999 5.307 -3.697 1.00 1.61 C ATOM 534 CD GLU A 31 -9.395 5.558 -5.159 1.00 2.07 C ATOM 535 OE1 GLU A 31 -8.569 6.053 -5.957 1.00 2.69 O ATOM 536 OE2 GLU A 31 -10.571 5.303 -5.508 1.00 2.74 O ATOM 0 H GLU A 31 -7.683 6.025 -1.096 1.00 0.74 H new ATOM 0 HA GLU A 31 -5.646 6.076 -3.155 1.00 0.78 H new ATOM 0 HB2 GLU A 31 -7.047 4.802 -4.385 1.00 0.84 H new ATOM 0 HB3 GLU A 31 -7.384 4.299 -2.741 1.00 0.84 H new ATOM 0 HG2 GLU A 31 -9.522 4.419 -3.344 1.00 1.61 H new ATOM 0 HG3 GLU A 31 -9.350 6.145 -3.094 1.00 1.61 H new ATOM 543 N LEU A 32 -7.912 8.444 -3.144 1.00 0.74 N ATOM 544 CA LEU A 32 -8.106 9.837 -3.557 1.00 0.81 C ATOM 545 C LEU A 32 -6.846 10.693 -3.359 1.00 0.81 C ATOM 546 O LEU A 32 -6.588 11.573 -4.179 1.00 0.91 O ATOM 547 CB LEU A 32 -9.294 10.430 -2.767 1.00 0.83 C ATOM 548 CG LEU A 32 -10.696 10.097 -3.316 1.00 0.92 C ATOM 549 CD1 LEU A 32 -11.747 10.693 -2.367 1.00 0.96 C ATOM 550 CD2 LEU A 32 -10.915 10.660 -4.726 1.00 1.08 C ATOM 0 H LEU A 32 -8.589 8.130 -2.448 1.00 0.74 H new ATOM 0 HA LEU A 32 -8.319 9.848 -4.626 1.00 0.81 H new ATOM 0 HB2 LEU A 32 -9.234 10.077 -1.737 1.00 0.83 H new ATOM 0 HB3 LEU A 32 -9.183 11.514 -2.739 1.00 0.83 H new ATOM 0 HG LEU A 32 -10.788 9.013 -3.377 1.00 0.92 H new ATOM 0 HD11 LEU A 32 -12.745 10.466 -2.741 1.00 0.96 H new ATOM 0 HD12 LEU A 32 -11.626 10.262 -1.373 1.00 0.96 H new ATOM 0 HD13 LEU A 32 -11.617 11.774 -2.313 1.00 0.96 H new ATOM 0 HD21 LEU A 32 -11.916 10.400 -5.070 1.00 1.08 H new ATOM 0 HD22 LEU A 32 -10.809 11.745 -4.705 1.00 1.08 H new ATOM 0 HD23 LEU A 32 -10.176 10.236 -5.406 1.00 1.08 H new ATOM 562 N GLN A 33 -6.029 10.431 -2.331 1.00 0.75 N ATOM 563 CA GLN A 33 -4.754 11.131 -2.135 1.00 0.79 C ATOM 564 C GLN A 33 -3.745 10.812 -3.254 1.00 0.74 C ATOM 565 O GLN A 33 -2.965 11.687 -3.630 1.00 0.85 O ATOM 566 CB GLN A 33 -4.201 10.811 -0.729 1.00 0.81 C ATOM 567 CG GLN A 33 -3.116 11.791 -0.234 1.00 0.94 C ATOM 568 CD GLN A 33 -1.687 11.246 -0.335 1.00 2.22 C ATOM 569 OE1 GLN A 33 -1.061 10.880 0.651 1.00 3.10 O ATOM 570 NE2 GLN A 33 -1.106 11.172 -1.514 1.00 3.37 N ATOM 0 H GLN A 33 -6.232 9.732 -1.616 1.00 0.75 H new ATOM 0 HA GLN A 33 -4.928 12.205 -2.196 1.00 0.79 H new ATOM 0 HB2 GLN A 33 -5.027 10.813 -0.018 1.00 0.81 H new ATOM 0 HB3 GLN A 33 -3.787 9.803 -0.735 1.00 0.81 H new ATOM 0 HG2 GLN A 33 -3.183 12.713 -0.812 1.00 0.94 H new ATOM 0 HG3 GLN A 33 -3.322 12.050 0.805 1.00 0.94 H new ATOM 0 HE21 GLN A 33 -1.608 11.471 -2.350 1.00 3.37 H new ATOM 0 HE22 GLN A 33 -0.154 10.815 -1.592 1.00 3.37 H new ATOM 579 N ALA A 34 -3.772 9.602 -3.828 1.00 0.63 N ATOM 580 CA ALA A 34 -3.012 9.254 -5.034 1.00 0.61 C ATOM 581 C ALA A 34 -3.608 9.891 -6.304 1.00 0.66 C ATOM 582 O ALA A 34 -2.863 10.416 -7.135 1.00 0.68 O ATOM 583 CB ALA A 34 -2.935 7.728 -5.158 1.00 0.60 C ATOM 0 H ALA A 34 -4.329 8.829 -3.463 1.00 0.63 H new ATOM 0 HA ALA A 34 -2.005 9.660 -4.936 1.00 0.61 H new ATOM 0 HB1 ALA A 34 -2.371 7.464 -6.053 1.00 0.60 H new ATOM 0 HB2 ALA A 34 -2.437 7.316 -4.280 1.00 0.60 H new ATOM 0 HB3 ALA A 34 -3.942 7.317 -5.229 1.00 0.60 H new ATOM 589 N GLN A 35 -4.941 9.879 -6.455 1.00 0.75 N ATOM 590 CA GLN A 35 -5.619 10.527 -7.589 1.00 0.90 C ATOM 591 C GLN A 35 -5.340 12.034 -7.645 1.00 0.97 C ATOM 592 O GLN A 35 -5.150 12.581 -8.732 1.00 1.03 O ATOM 593 CB GLN A 35 -7.145 10.335 -7.545 1.00 1.11 C ATOM 594 CG GLN A 35 -7.620 8.877 -7.656 1.00 0.99 C ATOM 595 CD GLN A 35 -9.057 8.744 -8.184 1.00 1.84 C ATOM 596 OE1 GLN A 35 -9.546 9.518 -9.000 1.00 2.36 O ATOM 597 NE2 GLN A 35 -9.800 7.749 -7.755 1.00 2.46 N ATOM 0 H GLN A 35 -5.576 9.423 -5.800 1.00 0.75 H new ATOM 0 HA GLN A 35 -5.213 10.041 -8.476 1.00 0.90 H new ATOM 0 HB2 GLN A 35 -7.522 10.754 -6.612 1.00 1.11 H new ATOM 0 HB3 GLN A 35 -7.592 10.910 -8.356 1.00 1.11 H new ATOM 0 HG2 GLN A 35 -6.946 8.332 -8.317 1.00 0.99 H new ATOM 0 HG3 GLN A 35 -7.556 8.406 -6.675 1.00 0.99 H new ATOM 0 HE21 GLN A 35 -9.424 7.087 -7.076 1.00 2.46 H new ATOM 0 HE22 GLN A 35 -10.753 7.638 -8.101 1.00 2.46 H new ATOM 606 N GLN A 36 -5.277 12.701 -6.487 1.00 0.99 N ATOM 607 CA GLN A 36 -5.059 14.149 -6.380 1.00 1.07 C ATOM 608 C GLN A 36 -3.717 14.594 -6.976 1.00 1.00 C ATOM 609 O GLN A 36 -3.574 15.748 -7.381 1.00 1.11 O ATOM 610 CB GLN A 36 -5.116 14.560 -4.893 1.00 1.17 C ATOM 611 CG GLN A 36 -6.517 15.012 -4.444 1.00 1.45 C ATOM 612 CD GLN A 36 -6.984 16.368 -5.001 1.00 1.80 C ATOM 613 OE1 GLN A 36 -8.112 16.790 -4.774 1.00 1.76 O ATOM 614 NE2 GLN A 36 -6.181 17.118 -5.737 1.00 2.83 N ATOM 0 H GLN A 36 -5.378 12.242 -5.582 1.00 0.99 H new ATOM 0 HA GLN A 36 -5.846 14.640 -6.953 1.00 1.07 H new ATOM 0 HB2 GLN A 36 -4.798 13.719 -4.277 1.00 1.17 H new ATOM 0 HB3 GLN A 36 -4.407 15.369 -4.719 1.00 1.17 H new ATOM 0 HG2 GLN A 36 -7.238 14.250 -4.739 1.00 1.45 H new ATOM 0 HG3 GLN A 36 -6.533 15.061 -3.355 1.00 1.45 H new ATOM 0 HE21 GLN A 36 -5.235 16.799 -5.946 1.00 2.83 H new ATOM 0 HE22 GLN A 36 -6.508 18.015 -6.095 1.00 2.83 H new ATOM 623 N LEU A 37 -2.741 13.683 -6.995 1.00 0.87 N ATOM 624 CA LEU A 37 -1.374 13.894 -7.462 1.00 0.87 C ATOM 625 C LEU A 37 -1.096 13.243 -8.834 1.00 0.87 C ATOM 626 O LEU A 37 0.033 13.323 -9.321 1.00 0.91 O ATOM 627 CB LEU A 37 -0.451 13.358 -6.354 1.00 0.90 C ATOM 628 CG LEU A 37 -0.644 14.010 -4.965 1.00 0.93 C ATOM 629 CD1 LEU A 37 0.277 13.328 -3.946 1.00 1.21 C ATOM 630 CD2 LEU A 37 -0.384 15.522 -4.982 1.00 1.27 C ATOM 0 H LEU A 37 -2.894 12.729 -6.667 1.00 0.87 H new ATOM 0 HA LEU A 37 -1.193 14.954 -7.638 1.00 0.87 H new ATOM 0 HB2 LEU A 37 -0.610 12.284 -6.259 1.00 0.90 H new ATOM 0 HB3 LEU A 37 0.584 13.501 -6.664 1.00 0.90 H new ATOM 0 HG LEU A 37 -1.687 13.871 -4.680 1.00 0.93 H new ATOM 0 HD11 LEU A 37 0.141 13.788 -2.967 1.00 1.21 H new ATOM 0 HD12 LEU A 37 0.031 12.268 -3.886 1.00 1.21 H new ATOM 0 HD13 LEU A 37 1.315 13.443 -4.259 1.00 1.21 H new ATOM 0 HD21 LEU A 37 -0.534 15.928 -3.982 1.00 1.27 H new ATOM 0 HD22 LEU A 37 0.641 15.711 -5.301 1.00 1.27 H new ATOM 0 HD23 LEU A 37 -1.074 16.002 -5.676 1.00 1.27 H new ATOM 642 N GLU A 38 -2.097 12.592 -9.442 1.00 0.84 N ATOM 643 CA GLU A 38 -2.056 11.975 -10.777 1.00 0.85 C ATOM 644 C GLU A 38 -0.971 10.878 -10.884 1.00 0.87 C ATOM 645 O GLU A 38 -0.029 10.970 -11.673 1.00 1.22 O ATOM 646 CB GLU A 38 -1.967 13.068 -11.865 1.00 0.91 C ATOM 647 CG GLU A 38 -2.322 12.551 -13.266 1.00 1.52 C ATOM 648 CD GLU A 38 -2.346 13.699 -14.289 1.00 1.64 C ATOM 649 OE1 GLU A 38 -1.261 14.190 -14.682 1.00 2.44 O ATOM 650 OE2 GLU A 38 -3.452 14.111 -14.716 1.00 1.77 O ATOM 0 H GLU A 38 -3.005 12.475 -8.993 1.00 0.84 H new ATOM 0 HA GLU A 38 -2.991 11.441 -10.948 1.00 0.85 H new ATOM 0 HB2 GLU A 38 -2.638 13.887 -11.605 1.00 0.91 H new ATOM 0 HB3 GLU A 38 -0.957 13.476 -11.880 1.00 0.91 H new ATOM 0 HG2 GLU A 38 -1.595 11.799 -13.575 1.00 1.52 H new ATOM 0 HG3 GLU A 38 -3.296 12.062 -13.241 1.00 1.52 H new ATOM 657 N TYR A 39 -1.079 9.838 -10.050 1.00 0.61 N ATOM 658 CA TYR A 39 -0.094 8.745 -9.993 1.00 0.60 C ATOM 659 C TYR A 39 -0.176 7.780 -11.199 1.00 0.55 C ATOM 660 O TYR A 39 0.747 7.738 -12.015 1.00 0.62 O ATOM 661 CB TYR A 39 -0.298 7.975 -8.675 1.00 0.62 C ATOM 662 CG TYR A 39 0.504 8.463 -7.485 1.00 0.87 C ATOM 663 CD1 TYR A 39 0.462 9.812 -7.089 1.00 1.96 C ATOM 664 CD2 TYR A 39 1.302 7.554 -6.764 1.00 1.96 C ATOM 665 CE1 TYR A 39 1.208 10.244 -5.977 1.00 2.17 C ATOM 666 CE2 TYR A 39 2.032 7.975 -5.637 1.00 2.17 C ATOM 667 CZ TYR A 39 1.965 9.324 -5.228 1.00 1.59 C ATOM 668 OH TYR A 39 2.610 9.748 -4.109 1.00 2.04 O ATOM 0 H TYR A 39 -1.852 9.728 -9.393 1.00 0.61 H new ATOM 0 HA TYR A 39 0.900 9.189 -10.037 1.00 0.60 H new ATOM 0 HB2 TYR A 39 -1.356 8.015 -8.415 1.00 0.62 H new ATOM 0 HB3 TYR A 39 -0.051 6.927 -8.848 1.00 0.62 H new ATOM 0 HD1 TYR A 39 -0.144 10.517 -7.639 1.00 1.96 H new ATOM 0 HD2 TYR A 39 1.354 6.522 -7.079 1.00 1.96 H new ATOM 0 HE1 TYR A 39 1.200 11.287 -5.697 1.00 2.17 H new ATOM 0 HE2 TYR A 39 2.640 7.270 -5.089 1.00 2.17 H new ATOM 0 HH TYR A 39 2.884 8.973 -3.576 1.00 2.04 H new ATOM 678 N ASP A 40 -1.285 7.039 -11.308 1.00 0.50 N ATOM 679 CA ASP A 40 -1.546 5.850 -12.149 1.00 0.51 C ATOM 680 C ASP A 40 -2.625 4.993 -11.463 1.00 0.46 C ATOM 681 O ASP A 40 -3.773 4.989 -11.907 1.00 0.53 O ATOM 682 CB ASP A 40 -0.279 5.016 -12.454 1.00 0.56 C ATOM 683 CG ASP A 40 -0.567 3.685 -13.164 1.00 0.71 C ATOM 684 OD1 ASP A 40 -1.167 3.714 -14.265 1.00 1.68 O ATOM 685 OD2 ASP A 40 -0.147 2.632 -12.631 1.00 1.64 O ATOM 0 H ASP A 40 -2.109 7.276 -10.756 1.00 0.50 H new ATOM 0 HA ASP A 40 -1.896 6.198 -13.121 1.00 0.51 H new ATOM 0 HB2 ASP A 40 0.394 5.609 -13.073 1.00 0.56 H new ATOM 0 HB3 ASP A 40 0.244 4.813 -11.520 1.00 0.56 H new ATOM 690 N TYR A 41 -2.276 4.331 -10.350 1.00 0.51 N ATOM 691 CA TYR A 41 -3.141 3.401 -9.603 1.00 0.51 C ATOM 692 C TYR A 41 -2.678 3.172 -8.143 1.00 0.46 C ATOM 693 O TYR A 41 -1.511 3.346 -7.791 1.00 0.38 O ATOM 694 CB TYR A 41 -3.196 2.037 -10.319 1.00 0.52 C ATOM 695 CG TYR A 41 -3.968 1.929 -11.624 1.00 0.59 C ATOM 696 CD1 TYR A 41 -5.340 2.246 -11.671 1.00 1.56 C ATOM 697 CD2 TYR A 41 -3.337 1.407 -12.772 1.00 1.46 C ATOM 698 CE1 TYR A 41 -6.071 2.070 -12.863 1.00 1.63 C ATOM 699 CE2 TYR A 41 -4.059 1.224 -13.965 1.00 1.51 C ATOM 700 CZ TYR A 41 -5.431 1.558 -14.015 1.00 0.83 C ATOM 701 OH TYR A 41 -6.137 1.352 -15.162 1.00 0.97 O ATOM 0 H TYR A 41 -1.352 4.431 -9.929 1.00 0.51 H new ATOM 0 HA TYR A 41 -4.126 3.866 -9.570 1.00 0.51 H new ATOM 0 HB2 TYR A 41 -2.170 1.725 -10.515 1.00 0.52 H new ATOM 0 HB3 TYR A 41 -3.622 1.315 -9.622 1.00 0.52 H new ATOM 0 HD1 TYR A 41 -5.834 2.626 -10.789 1.00 1.56 H new ATOM 0 HD2 TYR A 41 -2.290 1.145 -12.735 1.00 1.46 H new ATOM 0 HE1 TYR A 41 -7.120 2.326 -12.896 1.00 1.63 H new ATOM 0 HE2 TYR A 41 -3.566 0.829 -14.841 1.00 1.51 H new ATOM 0 HH TYR A 41 -5.541 0.998 -15.854 1.00 0.97 H new ATOM 711 N TYR A 42 -3.600 2.723 -7.290 1.00 0.56 N ATOM 712 CA TYR A 42 -3.375 2.347 -5.884 1.00 0.49 C ATOM 713 C TYR A 42 -3.564 0.837 -5.655 1.00 0.41 C ATOM 714 O TYR A 42 -4.269 0.172 -6.415 1.00 0.44 O ATOM 715 CB TYR A 42 -4.383 3.106 -5.004 1.00 0.55 C ATOM 716 CG TYR A 42 -5.818 2.644 -5.210 1.00 1.38 C ATOM 717 CD1 TYR A 42 -6.581 3.181 -6.263 1.00 2.76 C ATOM 718 CD2 TYR A 42 -6.375 1.647 -4.380 1.00 2.14 C ATOM 719 CE1 TYR A 42 -7.891 2.728 -6.488 1.00 3.75 C ATOM 720 CE2 TYR A 42 -7.673 1.160 -4.629 1.00 3.00 C ATOM 721 CZ TYR A 42 -8.430 1.689 -5.699 1.00 3.58 C ATOM 722 OH TYR A 42 -9.665 1.196 -5.989 1.00 4.69 O ATOM 0 H TYR A 42 -4.574 2.604 -7.570 1.00 0.56 H new ATOM 0 HA TYR A 42 -2.348 2.604 -5.626 1.00 0.49 H new ATOM 0 HB2 TYR A 42 -4.112 2.976 -3.956 1.00 0.55 H new ATOM 0 HB3 TYR A 42 -4.316 4.172 -5.221 1.00 0.55 H new ATOM 0 HD1 TYR A 42 -6.158 3.944 -6.900 1.00 2.76 H new ATOM 0 HD2 TYR A 42 -5.804 1.256 -3.551 1.00 2.14 H new ATOM 0 HE1 TYR A 42 -8.489 3.176 -7.268 1.00 3.75 H new ATOM 0 HE2 TYR A 42 -8.089 0.384 -4.004 1.00 3.00 H new ATOM 0 HH TYR A 42 -10.078 0.848 -5.172 1.00 4.69 H new ATOM 732 N SER A 43 -3.052 0.307 -4.547 1.00 0.42 N ATOM 733 CA SER A 43 -3.478 -0.985 -4.003 1.00 0.49 C ATOM 734 C SER A 43 -3.388 -1.055 -2.467 1.00 0.46 C ATOM 735 O SER A 43 -2.525 -0.446 -1.828 1.00 0.41 O ATOM 736 CB SER A 43 -2.700 -2.136 -4.650 1.00 0.60 C ATOM 737 OG SER A 43 -1.305 -2.045 -4.404 1.00 1.38 O ATOM 0 H SER A 43 -2.325 0.763 -3.996 1.00 0.42 H new ATOM 0 HA SER A 43 -4.533 -1.090 -4.254 1.00 0.49 H new ATOM 0 HB2 SER A 43 -3.074 -3.086 -4.267 1.00 0.60 H new ATOM 0 HB3 SER A 43 -2.879 -2.134 -5.725 1.00 0.60 H new ATOM 0 HG SER A 43 -0.840 -1.824 -5.238 1.00 1.38 H new ATOM 743 N LEU A 44 -4.312 -1.816 -1.879 1.00 0.56 N ATOM 744 CA LEU A 44 -4.496 -2.080 -0.450 1.00 0.63 C ATOM 745 C LEU A 44 -4.395 -3.601 -0.257 1.00 0.55 C ATOM 746 O LEU A 44 -4.921 -4.347 -1.084 1.00 0.53 O ATOM 747 CB LEU A 44 -5.890 -1.501 -0.101 1.00 0.80 C ATOM 748 CG LEU A 44 -6.444 -1.580 1.338 1.00 1.02 C ATOM 749 CD1 LEU A 44 -6.737 -3.008 1.812 1.00 2.62 C ATOM 750 CD2 LEU A 44 -5.552 -0.862 2.357 1.00 1.96 C ATOM 0 H LEU A 44 -5.011 -2.306 -2.438 1.00 0.56 H new ATOM 0 HA LEU A 44 -3.754 -1.623 0.205 1.00 0.63 H new ATOM 0 HB2 LEU A 44 -5.878 -0.448 -0.382 1.00 0.80 H new ATOM 0 HB3 LEU A 44 -6.613 -1.996 -0.750 1.00 0.80 H new ATOM 0 HG LEU A 44 -7.398 -1.056 1.285 1.00 1.02 H new ATOM 0 HD11 LEU A 44 -7.123 -2.981 2.831 1.00 2.62 H new ATOM 0 HD12 LEU A 44 -7.478 -3.464 1.155 1.00 2.62 H new ATOM 0 HD13 LEU A 44 -5.819 -3.595 1.787 1.00 2.62 H new ATOM 0 HD21 LEU A 44 -5.991 -0.950 3.351 1.00 1.96 H new ATOM 0 HD22 LEU A 44 -4.561 -1.316 2.356 1.00 1.96 H new ATOM 0 HD23 LEU A 44 -5.469 0.191 2.089 1.00 1.96 H new ATOM 762 N CYS A 45 -3.743 -4.078 0.809 1.00 0.59 N ATOM 763 CA CYS A 45 -3.652 -5.505 1.158 1.00 0.50 C ATOM 764 C CYS A 45 -3.810 -5.726 2.678 1.00 0.42 C ATOM 765 O CYS A 45 -3.417 -4.874 3.471 1.00 0.54 O ATOM 766 CB CYS A 45 -2.324 -6.042 0.597 1.00 0.64 C ATOM 767 SG CYS A 45 -2.201 -7.846 0.787 1.00 1.09 S ATOM 0 H CYS A 45 -3.253 -3.473 1.468 1.00 0.59 H new ATOM 0 HA CYS A 45 -4.472 -6.065 0.709 1.00 0.50 H new ATOM 0 HB2 CYS A 45 -2.241 -5.780 -0.458 1.00 0.64 H new ATOM 0 HB3 CYS A 45 -1.491 -5.563 1.111 1.00 0.64 H new ATOM 0 HG CYS A 45 -3.393 -8.353 0.895 1.00 1.09 H new ATOM 773 N VAL A 46 -4.386 -6.856 3.093 1.00 0.40 N ATOM 774 CA VAL A 46 -4.664 -7.210 4.504 1.00 0.52 C ATOM 775 C VAL A 46 -4.397 -8.699 4.737 1.00 0.64 C ATOM 776 O VAL A 46 -4.734 -9.516 3.880 1.00 0.66 O ATOM 777 CB VAL A 46 -6.129 -6.871 4.893 1.00 0.61 C ATOM 778 CG1 VAL A 46 -6.501 -7.329 6.317 1.00 1.46 C ATOM 779 CG2 VAL A 46 -6.404 -5.361 4.804 1.00 1.27 C ATOM 0 H VAL A 46 -4.686 -7.581 2.441 1.00 0.40 H new ATOM 0 HA VAL A 46 -3.999 -6.620 5.134 1.00 0.52 H new ATOM 0 HB VAL A 46 -6.740 -7.416 4.174 1.00 0.61 H new ATOM 0 HG11 VAL A 46 -7.537 -7.062 6.526 1.00 1.46 H new ATOM 0 HG12 VAL A 46 -6.382 -8.410 6.394 1.00 1.46 H new ATOM 0 HG13 VAL A 46 -5.847 -6.839 7.039 1.00 1.46 H new ATOM 0 HG21 VAL A 46 -7.439 -5.163 5.083 1.00 1.27 H new ATOM 0 HG22 VAL A 46 -5.737 -4.829 5.482 1.00 1.27 H new ATOM 0 HG23 VAL A 46 -6.232 -5.019 3.783 1.00 1.27 H new ATOM 789 N ARG A 47 -3.834 -9.044 5.905 1.00 0.75 N ATOM 790 CA ARG A 47 -3.664 -10.423 6.386 1.00 0.77 C ATOM 791 C ARG A 47 -4.071 -10.558 7.858 1.00 0.80 C ATOM 792 O ARG A 47 -3.668 -9.752 8.697 1.00 0.83 O ATOM 793 CB ARG A 47 -2.200 -10.871 6.230 1.00 0.89 C ATOM 794 CG ARG A 47 -1.853 -11.258 4.787 1.00 1.70 C ATOM 795 CD ARG A 47 -0.410 -11.764 4.705 1.00 1.64 C ATOM 796 NE ARG A 47 -0.132 -12.403 3.408 1.00 2.82 N ATOM 797 CZ ARG A 47 1.058 -12.810 2.979 1.00 3.10 C ATOM 798 NH1 ARG A 47 2.153 -12.597 3.676 1.00 2.64 N ATOM 799 NH2 ARG A 47 1.162 -13.443 1.831 1.00 4.29 N ATOM 0 H ARG A 47 -3.474 -8.350 6.560 1.00 0.75 H new ATOM 0 HA ARG A 47 -4.312 -11.058 5.782 1.00 0.77 H new ATOM 0 HB2 ARG A 47 -1.541 -10.066 6.555 1.00 0.89 H new ATOM 0 HB3 ARG A 47 -2.012 -11.721 6.886 1.00 0.89 H new ATOM 0 HG2 ARG A 47 -2.537 -12.031 4.436 1.00 1.70 H new ATOM 0 HG3 ARG A 47 -1.981 -10.397 4.131 1.00 1.70 H new ATOM 0 HD2 ARG A 47 0.277 -10.931 4.856 1.00 1.64 H new ATOM 0 HD3 ARG A 47 -0.228 -12.477 5.509 1.00 1.64 H new ATOM 0 HE ARG A 47 -0.925 -12.546 2.782 1.00 2.82 H new ATOM 0 HH11 ARG A 47 2.102 -12.108 4.570 1.00 2.64 H new ATOM 0 HH12 ARG A 47 3.053 -12.920 3.323 1.00 2.64 H new ATOM 0 HH21 ARG A 47 0.329 -13.622 1.270 1.00 4.29 H new ATOM 0 HH22 ARG A 47 2.075 -13.755 1.502 1.00 4.29 H new ATOM 813 N HIS A 48 -4.806 -11.617 8.200 1.00 0.89 N ATOM 814 CA HIS A 48 -5.135 -11.940 9.595 1.00 0.99 C ATOM 815 C HIS A 48 -4.650 -13.357 9.974 1.00 1.05 C ATOM 816 O HIS A 48 -5.140 -14.339 9.397 1.00 1.15 O ATOM 817 CB HIS A 48 -6.646 -11.776 9.837 1.00 1.18 C ATOM 818 CG HIS A 48 -6.964 -11.572 11.301 1.00 2.23 C ATOM 819 ND1 HIS A 48 -7.433 -10.407 11.859 1.00 3.05 N ATOM 820 CD2 HIS A 48 -6.786 -12.459 12.329 1.00 3.84 C ATOM 821 CE1 HIS A 48 -7.516 -10.580 13.188 1.00 4.69 C ATOM 822 NE2 HIS A 48 -7.146 -11.827 13.523 1.00 5.22 N ATOM 0 H HIS A 48 -5.191 -12.275 7.522 1.00 0.89 H new ATOM 0 HA HIS A 48 -4.609 -11.240 10.243 1.00 0.99 H new ATOM 0 HB2 HIS A 48 -7.015 -10.926 9.263 1.00 1.18 H new ATOM 0 HB3 HIS A 48 -7.170 -12.659 9.471 1.00 1.18 H new ATOM 0 HD1 HIS A 48 -7.676 -9.557 11.351 1.00 3.05 H new ATOM 0 HD2 HIS A 48 -6.429 -13.474 12.234 1.00 3.84 H new ATOM 0 HE1 HIS A 48 -7.835 -9.823 13.889 1.00 4.69 H new ATOM 830 N PRO A 49 -3.733 -13.503 10.954 1.00 1.06 N ATOM 831 CA PRO A 49 -3.268 -14.803 11.423 1.00 1.17 C ATOM 832 C PRO A 49 -4.318 -15.425 12.362 1.00 1.24 C ATOM 833 O PRO A 49 -4.146 -15.459 13.580 1.00 1.41 O ATOM 834 CB PRO A 49 -1.910 -14.524 12.078 1.00 1.23 C ATOM 835 CG PRO A 49 -2.083 -13.122 12.656 1.00 1.18 C ATOM 836 CD PRO A 49 -3.010 -12.442 11.648 1.00 1.05 C ATOM 0 HA PRO A 49 -3.141 -15.543 10.633 1.00 1.17 H new ATOM 0 HB2 PRO A 49 -1.680 -15.254 12.854 1.00 1.23 H new ATOM 0 HB3 PRO A 49 -1.097 -14.563 11.353 1.00 1.23 H new ATOM 0 HG2 PRO A 49 -2.522 -13.149 13.653 1.00 1.18 H new ATOM 0 HG3 PRO A 49 -1.129 -12.601 12.742 1.00 1.18 H new ATOM 0 HD2 PRO A 49 -3.703 -11.769 12.153 1.00 1.05 H new ATOM 0 HD3 PRO A 49 -2.438 -11.839 10.943 1.00 1.05 H new ATOM 844 N VAL A 50 -5.431 -15.900 11.789 1.00 1.29 N ATOM 845 CA VAL A 50 -6.564 -16.465 12.552 1.00 1.36 C ATOM 846 C VAL A 50 -6.127 -17.777 13.240 1.00 1.39 C ATOM 847 O VAL A 50 -5.492 -18.609 12.586 1.00 1.47 O ATOM 848 CB VAL A 50 -7.803 -16.730 11.658 1.00 1.50 C ATOM 849 CG1 VAL A 50 -8.992 -17.305 12.446 1.00 1.73 C ATOM 850 CG2 VAL A 50 -8.299 -15.459 10.950 1.00 1.45 C ATOM 0 H VAL A 50 -5.577 -15.906 10.780 1.00 1.29 H new ATOM 0 HA VAL A 50 -6.853 -15.727 13.300 1.00 1.36 H new ATOM 0 HB VAL A 50 -7.457 -17.458 10.925 1.00 1.50 H new ATOM 0 HG11 VAL A 50 -9.831 -17.471 11.770 1.00 1.73 H new ATOM 0 HG12 VAL A 50 -8.702 -18.251 12.903 1.00 1.73 H new ATOM 0 HG13 VAL A 50 -9.287 -16.601 13.224 1.00 1.73 H new ATOM 0 HG21 VAL A 50 -9.168 -15.699 10.337 1.00 1.45 H new ATOM 0 HG22 VAL A 50 -8.576 -14.712 11.694 1.00 1.45 H new ATOM 0 HG23 VAL A 50 -7.506 -15.063 10.316 1.00 1.45 H new ATOM 860 N PRO A 51 -6.445 -17.992 14.535 1.00 1.40 N ATOM 861 CA PRO A 51 -6.064 -19.205 15.259 1.00 1.48 C ATOM 862 C PRO A 51 -7.067 -20.361 15.098 1.00 1.58 C ATOM 863 O PRO A 51 -6.678 -21.525 15.190 1.00 1.70 O ATOM 864 CB PRO A 51 -5.925 -18.757 16.716 1.00 1.51 C ATOM 865 CG PRO A 51 -6.911 -17.600 16.854 1.00 1.49 C ATOM 866 CD PRO A 51 -6.973 -16.989 15.453 1.00 1.41 C ATOM 0 HA PRO A 51 -5.139 -19.622 14.862 1.00 1.48 H new ATOM 0 HB2 PRO A 51 -6.164 -19.567 17.405 1.00 1.51 H new ATOM 0 HB3 PRO A 51 -4.906 -18.439 16.938 1.00 1.51 H new ATOM 0 HG2 PRO A 51 -7.891 -17.949 17.180 1.00 1.49 H new ATOM 0 HG3 PRO A 51 -6.570 -16.873 17.591 1.00 1.49 H new ATOM 0 HD2 PRO A 51 -7.998 -16.725 15.191 1.00 1.41 H new ATOM 0 HD3 PRO A 51 -6.386 -16.072 15.404 1.00 1.41 H new ATOM 874 N PHE A 52 -8.346 -20.057 14.845 1.00 1.61 N ATOM 875 CA PHE A 52 -9.435 -21.031 14.653 1.00 1.80 C ATOM 876 C PHE A 52 -9.544 -21.605 13.225 1.00 1.90 C ATOM 877 O PHE A 52 -10.275 -22.577 13.011 1.00 2.12 O ATOM 878 CB PHE A 52 -10.761 -20.367 15.062 1.00 1.87 C ATOM 879 CG PHE A 52 -10.925 -20.201 16.560 1.00 1.90 C ATOM 880 CD1 PHE A 52 -11.519 -21.230 17.318 1.00 2.93 C ATOM 881 CD2 PHE A 52 -10.482 -19.029 17.201 1.00 2.05 C ATOM 882 CE1 PHE A 52 -11.674 -21.085 18.707 1.00 3.03 C ATOM 883 CE2 PHE A 52 -10.631 -18.887 18.593 1.00 2.11 C ATOM 884 CZ PHE A 52 -11.230 -19.913 19.347 1.00 2.10 C ATOM 0 H PHE A 52 -8.666 -19.092 14.765 1.00 1.61 H new ATOM 0 HA PHE A 52 -9.204 -21.890 15.284 1.00 1.80 H new ATOM 0 HB2 PHE A 52 -10.828 -19.388 14.588 1.00 1.87 H new ATOM 0 HB3 PHE A 52 -11.589 -20.964 14.679 1.00 1.87 H new ATOM 0 HD1 PHE A 52 -11.856 -22.133 16.830 1.00 2.93 H new ATOM 0 HD2 PHE A 52 -10.027 -18.238 16.624 1.00 2.05 H new ATOM 0 HE1 PHE A 52 -12.134 -21.874 19.284 1.00 3.03 H new ATOM 0 HE2 PHE A 52 -10.285 -17.989 19.083 1.00 2.11 H new ATOM 0 HZ PHE A 52 -11.349 -19.801 20.415 1.00 2.10 H new ATOM 894 N THR A 53 -8.858 -21.001 12.247 1.00 1.77 N ATOM 895 CA THR A 53 -8.966 -21.305 10.807 1.00 1.80 C ATOM 896 C THR A 53 -7.637 -21.019 10.112 1.00 1.62 C ATOM 897 O THR A 53 -6.866 -20.197 10.603 1.00 1.45 O ATOM 898 CB THR A 53 -10.165 -20.531 10.211 1.00 1.81 C ATOM 899 OG1 THR A 53 -10.980 -21.460 9.530 1.00 2.17 O ATOM 900 CG2 THR A 53 -9.852 -19.398 9.230 1.00 1.82 C ATOM 0 H THR A 53 -8.186 -20.258 12.440 1.00 1.77 H new ATOM 0 HA THR A 53 -9.166 -22.365 10.647 1.00 1.80 H new ATOM 0 HB THR A 53 -10.632 -20.045 11.068 1.00 1.81 H new ATOM 0 HG1 THR A 53 -11.751 -20.996 9.142 1.00 2.17 H new ATOM 0 HG21 THR A 53 -10.783 -18.943 8.891 1.00 1.82 H new ATOM 0 HG22 THR A 53 -9.240 -18.645 9.727 1.00 1.82 H new ATOM 0 HG23 THR A 53 -9.311 -19.798 8.373 1.00 1.82 H new ATOM 908 N ARG A 54 -7.361 -21.650 8.965 1.00 1.79 N ATOM 909 CA ARG A 54 -6.135 -21.358 8.202 1.00 1.71 C ATOM 910 C ARG A 54 -6.172 -19.898 7.700 1.00 1.40 C ATOM 911 O ARG A 54 -7.215 -19.464 7.196 1.00 1.43 O ATOM 912 CB ARG A 54 -5.953 -22.339 7.032 1.00 2.04 C ATOM 913 CG ARG A 54 -5.478 -23.742 7.455 1.00 2.43 C ATOM 914 CD ARG A 54 -4.034 -23.735 7.984 1.00 3.13 C ATOM 915 NE ARG A 54 -3.515 -25.102 8.164 1.00 3.60 N ATOM 916 CZ ARG A 54 -2.258 -25.435 8.441 1.00 4.27 C ATOM 917 NH1 ARG A 54 -1.319 -24.530 8.631 1.00 4.72 N ATOM 918 NH2 ARG A 54 -1.923 -26.705 8.532 1.00 4.68 N ATOM 0 H ARG A 54 -7.961 -22.360 8.545 1.00 1.79 H new ATOM 0 HA ARG A 54 -5.277 -21.485 8.862 1.00 1.71 H new ATOM 0 HB2 ARG A 54 -6.900 -22.433 6.500 1.00 2.04 H new ATOM 0 HB3 ARG A 54 -5.233 -21.920 6.329 1.00 2.04 H new ATOM 0 HG2 ARG A 54 -6.143 -24.131 8.226 1.00 2.43 H new ATOM 0 HG3 ARG A 54 -5.547 -24.419 6.603 1.00 2.43 H new ATOM 0 HD2 ARG A 54 -3.394 -23.191 7.289 1.00 3.13 H new ATOM 0 HD3 ARG A 54 -3.997 -23.203 8.935 1.00 3.13 H new ATOM 0 HE ARG A 54 -4.184 -25.866 8.067 1.00 3.60 H new ATOM 0 HH11 ARG A 54 -1.547 -23.538 8.567 1.00 4.72 H new ATOM 0 HH12 ARG A 54 -0.365 -24.822 8.842 1.00 4.72 H new ATOM 0 HH21 ARG A 54 -2.627 -27.430 8.390 1.00 4.68 H new ATOM 0 HH22 ARG A 54 -0.960 -26.964 8.744 1.00 4.68 H new ATOM 932 N PRO A 55 -5.079 -19.128 7.860 1.00 1.26 N ATOM 933 CA PRO A 55 -5.117 -17.671 7.793 1.00 0.99 C ATOM 934 C PRO A 55 -5.349 -17.162 6.369 1.00 0.91 C ATOM 935 O PRO A 55 -5.033 -17.834 5.387 1.00 1.06 O ATOM 936 CB PRO A 55 -3.792 -17.203 8.394 1.00 1.17 C ATOM 937 CG PRO A 55 -2.839 -18.361 8.111 1.00 1.51 C ATOM 938 CD PRO A 55 -3.750 -19.581 8.247 1.00 1.51 C ATOM 0 HA PRO A 55 -5.959 -17.262 8.351 1.00 0.99 H new ATOM 0 HB2 PRO A 55 -3.447 -16.278 7.932 1.00 1.17 H new ATOM 0 HB3 PRO A 55 -3.883 -17.011 9.463 1.00 1.17 H new ATOM 0 HG2 PRO A 55 -2.400 -18.291 7.116 1.00 1.51 H new ATOM 0 HG3 PRO A 55 -2.013 -18.390 8.822 1.00 1.51 H new ATOM 0 HD2 PRO A 55 -3.412 -20.395 7.606 1.00 1.51 H new ATOM 0 HD3 PRO A 55 -3.748 -19.959 9.269 1.00 1.51 H new ATOM 946 N LYS A 56 -5.936 -15.967 6.274 1.00 0.79 N ATOM 947 CA LYS A 56 -6.445 -15.390 5.022 1.00 0.78 C ATOM 948 C LYS A 56 -5.642 -14.158 4.558 1.00 0.68 C ATOM 949 O LYS A 56 -5.021 -13.462 5.366 1.00 0.71 O ATOM 950 CB LYS A 56 -7.933 -15.020 5.207 1.00 0.97 C ATOM 951 CG LYS A 56 -8.900 -16.180 5.520 1.00 1.36 C ATOM 952 CD LYS A 56 -9.177 -17.146 4.354 1.00 2.08 C ATOM 953 CE LYS A 56 -8.169 -18.302 4.266 1.00 3.41 C ATOM 954 NZ LYS A 56 -8.535 -19.274 3.201 1.00 4.63 N ATOM 0 H LYS A 56 -6.075 -15.358 7.081 1.00 0.79 H new ATOM 0 HA LYS A 56 -6.333 -16.142 4.241 1.00 0.78 H new ATOM 0 HB2 LYS A 56 -8.005 -14.290 6.013 1.00 0.97 H new ATOM 0 HB3 LYS A 56 -8.277 -14.526 4.298 1.00 0.97 H new ATOM 0 HG2 LYS A 56 -8.495 -16.752 6.354 1.00 1.36 H new ATOM 0 HG3 LYS A 56 -9.849 -15.759 5.853 1.00 1.36 H new ATOM 0 HD2 LYS A 56 -10.181 -17.557 4.463 1.00 2.08 H new ATOM 0 HD3 LYS A 56 -9.161 -16.588 3.418 1.00 2.08 H new ATOM 0 HE2 LYS A 56 -7.174 -17.903 4.067 1.00 3.41 H new ATOM 0 HE3 LYS A 56 -8.120 -18.816 5.226 1.00 3.41 H new ATOM 0 HZ1 LYS A 56 -7.831 -20.039 3.173 1.00 4.63 H new ATOM 0 HZ2 LYS A 56 -9.473 -19.674 3.404 1.00 4.63 H new ATOM 0 HZ3 LYS A 56 -8.557 -18.789 2.281 1.00 4.63 H new ATOM 968 N VAL A 57 -5.722 -13.867 3.255 1.00 0.66 N ATOM 969 CA VAL A 57 -5.192 -12.659 2.601 1.00 0.62 C ATOM 970 C VAL A 57 -6.271 -12.044 1.698 1.00 0.56 C ATOM 971 O VAL A 57 -6.975 -12.764 0.988 1.00 0.63 O ATOM 972 CB VAL A 57 -3.874 -12.948 1.837 1.00 0.72 C ATOM 973 CG1 VAL A 57 -4.019 -13.978 0.706 1.00 2.23 C ATOM 974 CG2 VAL A 57 -3.237 -11.666 1.280 1.00 2.08 C ATOM 0 H VAL A 57 -6.179 -14.495 2.594 1.00 0.66 H new ATOM 0 HA VAL A 57 -4.936 -11.928 3.368 1.00 0.62 H new ATOM 0 HB VAL A 57 -3.216 -13.383 2.589 1.00 0.72 H new ATOM 0 HG11 VAL A 57 -3.054 -14.124 0.221 1.00 2.23 H new ATOM 0 HG12 VAL A 57 -4.365 -14.926 1.119 1.00 2.23 H new ATOM 0 HG13 VAL A 57 -4.741 -13.616 -0.026 1.00 2.23 H new ATOM 0 HG21 VAL A 57 -2.316 -11.916 0.753 1.00 2.08 H new ATOM 0 HG22 VAL A 57 -3.931 -11.185 0.590 1.00 2.08 H new ATOM 0 HG23 VAL A 57 -3.011 -10.986 2.101 1.00 2.08 H new ATOM 984 N ALA A 58 -6.405 -10.716 1.740 1.00 0.53 N ATOM 985 CA ALA A 58 -7.313 -9.926 0.902 1.00 0.48 C ATOM 986 C ALA A 58 -6.604 -8.681 0.351 1.00 0.43 C ATOM 987 O ALA A 58 -5.667 -8.167 0.970 1.00 0.41 O ATOM 988 CB ALA A 58 -8.552 -9.530 1.718 1.00 0.49 C ATOM 0 H ALA A 58 -5.863 -10.139 2.383 1.00 0.53 H new ATOM 0 HA ALA A 58 -7.626 -10.532 0.052 1.00 0.48 H new ATOM 0 HB1 ALA A 58 -9.226 -8.943 1.094 1.00 0.49 H new ATOM 0 HB2 ALA A 58 -9.065 -10.429 2.060 1.00 0.49 H new ATOM 0 HB3 ALA A 58 -8.246 -8.937 2.580 1.00 0.49 H new ATOM 994 N PHE A 59 -7.068 -8.202 -0.803 1.00 0.56 N ATOM 995 CA PHE A 59 -6.428 -7.149 -1.592 1.00 0.52 C ATOM 996 C PHE A 59 -7.442 -6.425 -2.493 1.00 0.49 C ATOM 997 O PHE A 59 -8.312 -7.057 -3.094 1.00 0.51 O ATOM 998 CB PHE A 59 -5.248 -7.739 -2.394 1.00 0.49 C ATOM 999 CG PHE A 59 -5.507 -9.120 -2.981 1.00 0.50 C ATOM 1000 CD1 PHE A 59 -6.280 -9.271 -4.148 1.00 1.80 C ATOM 1001 CD2 PHE A 59 -5.032 -10.265 -2.311 1.00 1.90 C ATOM 1002 CE1 PHE A 59 -6.594 -10.556 -4.628 1.00 1.78 C ATOM 1003 CE2 PHE A 59 -5.353 -11.549 -2.786 1.00 2.01 C ATOM 1004 CZ PHE A 59 -6.141 -11.694 -3.940 1.00 0.81 C ATOM 0 H PHE A 59 -7.928 -8.548 -1.229 1.00 0.56 H new ATOM 0 HA PHE A 59 -6.030 -6.394 -0.914 1.00 0.52 H new ATOM 0 HB2 PHE A 59 -4.999 -7.055 -3.205 1.00 0.49 H new ATOM 0 HB3 PHE A 59 -4.375 -7.793 -1.744 1.00 0.49 H new ATOM 0 HD1 PHE A 59 -6.633 -8.398 -4.676 1.00 1.80 H new ATOM 0 HD2 PHE A 59 -4.419 -10.156 -1.429 1.00 1.90 H new ATOM 0 HE1 PHE A 59 -7.184 -10.667 -5.526 1.00 1.78 H new ATOM 0 HE2 PHE A 59 -4.994 -12.423 -2.264 1.00 2.01 H new ATOM 0 HZ PHE A 59 -6.398 -12.680 -4.298 1.00 0.81 H new ATOM 1014 N TYR A 60 -7.318 -5.097 -2.592 1.00 0.50 N ATOM 1015 CA TYR A 60 -8.234 -4.210 -3.331 1.00 0.52 C ATOM 1016 C TYR A 60 -7.459 -3.159 -4.154 1.00 0.56 C ATOM 1017 O TYR A 60 -6.439 -2.637 -3.694 1.00 0.58 O ATOM 1018 CB TYR A 60 -9.208 -3.528 -2.349 1.00 0.62 C ATOM 1019 CG TYR A 60 -9.953 -4.474 -1.417 1.00 0.61 C ATOM 1020 CD1 TYR A 60 -10.712 -5.538 -1.943 1.00 1.84 C ATOM 1021 CD2 TYR A 60 -9.863 -4.314 -0.019 1.00 1.53 C ATOM 1022 CE1 TYR A 60 -11.340 -6.460 -1.086 1.00 1.85 C ATOM 1023 CE2 TYR A 60 -10.498 -5.225 0.848 1.00 1.54 C ATOM 1024 CZ TYR A 60 -11.233 -6.310 0.315 1.00 0.66 C ATOM 1025 OH TYR A 60 -11.835 -7.208 1.143 1.00 0.71 O ATOM 0 H TYR A 60 -6.553 -4.590 -2.147 1.00 0.50 H new ATOM 0 HA TYR A 60 -8.806 -4.816 -4.034 1.00 0.52 H new ATOM 0 HB2 TYR A 60 -8.649 -2.813 -1.745 1.00 0.62 H new ATOM 0 HB3 TYR A 60 -9.939 -2.958 -2.923 1.00 0.62 H new ATOM 0 HD1 TYR A 60 -10.813 -5.647 -3.013 1.00 1.84 H new ATOM 0 HD2 TYR A 60 -9.303 -3.486 0.390 1.00 1.53 H new ATOM 0 HE1 TYR A 60 -11.904 -7.283 -1.499 1.00 1.85 H new ATOM 0 HE2 TYR A 60 -10.424 -5.095 1.918 1.00 1.54 H new ATOM 0 HH TYR A 60 -11.663 -6.960 2.075 1.00 0.71 H new ATOM 1035 N THR A 61 -7.929 -2.857 -5.375 1.00 0.59 N ATOM 1036 CA THR A 61 -7.226 -2.031 -6.379 1.00 0.61 C ATOM 1037 C THR A 61 -8.121 -1.678 -7.571 1.00 0.65 C ATOM 1038 O THR A 61 -9.068 -2.403 -7.878 1.00 0.69 O ATOM 1039 CB THR A 61 -5.923 -2.719 -6.821 1.00 0.59 C ATOM 1040 OG1 THR A 61 -5.278 -1.904 -7.760 1.00 0.88 O ATOM 1041 CG2 THR A 61 -6.126 -4.086 -7.472 1.00 0.74 C ATOM 0 H THR A 61 -8.836 -3.189 -5.704 1.00 0.59 H new ATOM 0 HA THR A 61 -6.966 -1.083 -5.907 1.00 0.61 H new ATOM 0 HB THR A 61 -5.340 -2.870 -5.913 1.00 0.59 H new ATOM 0 HG1 THR A 61 -4.691 -2.453 -8.321 1.00 0.88 H new ATOM 0 HG21 THR A 61 -5.159 -4.502 -7.754 1.00 0.74 H new ATOM 0 HG22 THR A 61 -6.617 -4.756 -6.766 1.00 0.74 H new ATOM 0 HG23 THR A 61 -6.747 -3.977 -8.361 1.00 0.74 H new ATOM 1049 N ASN A 62 -7.783 -0.585 -8.262 1.00 0.66 N ATOM 1050 CA ASN A 62 -8.330 -0.207 -9.574 1.00 0.69 C ATOM 1051 C ASN A 62 -7.530 -0.785 -10.766 1.00 0.58 C ATOM 1052 O ASN A 62 -7.840 -0.457 -11.914 1.00 0.63 O ATOM 1053 CB ASN A 62 -8.430 1.333 -9.673 1.00 0.85 C ATOM 1054 CG ASN A 62 -9.823 1.914 -9.410 1.00 1.56 C ATOM 1055 OD1 ASN A 62 -10.797 1.229 -9.114 1.00 2.49 O ATOM 1056 ND2 ASN A 62 -9.961 3.220 -9.562 1.00 2.09 N ATOM 0 H ASN A 62 -7.098 0.086 -7.914 1.00 0.66 H new ATOM 0 HA ASN A 62 -9.324 -0.648 -9.644 1.00 0.69 H new ATOM 0 HB2 ASN A 62 -7.730 1.773 -8.963 1.00 0.85 H new ATOM 0 HB3 ASN A 62 -8.108 1.639 -10.668 1.00 0.85 H new ATOM 0 HD21 ASN A 62 -10.875 3.655 -9.433 1.00 2.09 H new ATOM 0 HD22 ASN A 62 -9.154 3.793 -9.808 1.00 2.09 H new ATOM 1063 N TYR A 63 -6.521 -1.643 -10.540 1.00 0.51 N ATOM 1064 CA TYR A 63 -5.676 -2.194 -11.612 1.00 0.47 C ATOM 1065 C TYR A 63 -6.490 -2.846 -12.754 1.00 0.46 C ATOM 1066 O TYR A 63 -7.554 -3.428 -12.497 1.00 0.48 O ATOM 1067 CB TYR A 63 -4.714 -3.254 -11.046 1.00 0.44 C ATOM 1068 CG TYR A 63 -3.579 -2.795 -10.149 1.00 0.48 C ATOM 1069 CD1 TYR A 63 -3.027 -1.504 -10.258 1.00 2.11 C ATOM 1070 CD2 TYR A 63 -3.083 -3.689 -9.178 1.00 1.72 C ATOM 1071 CE1 TYR A 63 -2.068 -1.069 -9.328 1.00 2.19 C ATOM 1072 CE2 TYR A 63 -2.134 -3.249 -8.234 1.00 1.71 C ATOM 1073 CZ TYR A 63 -1.648 -1.919 -8.289 1.00 0.74 C ATOM 1074 OH TYR A 63 -0.786 -1.426 -7.359 1.00 0.97 O ATOM 0 H TYR A 63 -6.268 -1.974 -9.609 1.00 0.51 H new ATOM 0 HA TYR A 63 -5.128 -1.346 -12.024 1.00 0.47 H new ATOM 0 HB2 TYR A 63 -5.308 -3.976 -10.486 1.00 0.44 H new ATOM 0 HB3 TYR A 63 -4.275 -3.788 -11.889 1.00 0.44 H new ATOM 0 HD1 TYR A 63 -3.341 -0.848 -11.057 1.00 2.11 H new ATOM 0 HD2 TYR A 63 -3.431 -4.711 -9.158 1.00 1.72 H new ATOM 0 HE1 TYR A 63 -1.651 -0.076 -9.411 1.00 2.19 H new ATOM 0 HE2 TYR A 63 -1.778 -3.924 -7.470 1.00 1.71 H new ATOM 0 HH TYR A 63 -0.084 -0.909 -7.806 1.00 0.97 H new ATOM 1084 N PRO A 64 -5.995 -2.771 -14.008 1.00 0.49 N ATOM 1085 CA PRO A 64 -6.702 -3.280 -15.172 1.00 0.53 C ATOM 1086 C PRO A 64 -6.834 -4.799 -15.074 1.00 0.53 C ATOM 1087 O PRO A 64 -5.908 -5.485 -14.638 1.00 0.52 O ATOM 1088 CB PRO A 64 -5.896 -2.826 -16.396 1.00 0.60 C ATOM 1089 CG PRO A 64 -4.489 -2.578 -15.855 1.00 0.55 C ATOM 1090 CD PRO A 64 -4.735 -2.164 -14.410 1.00 0.50 C ATOM 0 HA PRO A 64 -7.720 -2.897 -15.246 1.00 0.53 H new ATOM 0 HB2 PRO A 64 -5.893 -3.588 -17.175 1.00 0.60 H new ATOM 0 HB3 PRO A 64 -6.317 -1.922 -16.836 1.00 0.60 H new ATOM 0 HG2 PRO A 64 -3.871 -3.474 -15.917 1.00 0.55 H new ATOM 0 HG3 PRO A 64 -3.975 -1.797 -16.415 1.00 0.55 H new ATOM 0 HD2 PRO A 64 -3.921 -2.500 -13.767 1.00 0.50 H new ATOM 0 HD3 PRO A 64 -4.783 -1.079 -14.322 1.00 0.50 H new ATOM 1098 N GLU A 65 -7.983 -5.335 -15.490 1.00 0.55 N ATOM 1099 CA GLU A 65 -8.284 -6.766 -15.379 1.00 0.56 C ATOM 1100 C GLU A 65 -7.278 -7.643 -16.147 1.00 0.65 C ATOM 1101 O GLU A 65 -7.066 -8.792 -15.775 1.00 0.70 O ATOM 1102 CB GLU A 65 -9.727 -7.017 -15.844 1.00 0.59 C ATOM 1103 CG GLU A 65 -9.898 -6.946 -17.368 1.00 0.71 C ATOM 1104 CD GLU A 65 -11.383 -6.986 -17.765 1.00 0.88 C ATOM 1105 OE1 GLU A 65 -11.953 -8.096 -17.892 1.00 1.72 O ATOM 1106 OE2 GLU A 65 -11.991 -5.905 -17.957 1.00 2.25 O ATOM 0 H GLU A 65 -8.733 -4.789 -15.914 1.00 0.55 H new ATOM 0 HA GLU A 65 -8.188 -7.056 -14.333 1.00 0.56 H new ATOM 0 HB2 GLU A 65 -10.048 -7.999 -15.495 1.00 0.59 H new ATOM 0 HB3 GLU A 65 -10.384 -6.283 -15.378 1.00 0.59 H new ATOM 0 HG2 GLU A 65 -9.443 -6.030 -17.745 1.00 0.71 H new ATOM 0 HG3 GLU A 65 -9.372 -7.779 -17.835 1.00 0.71 H new ATOM 1113 N ALA A 66 -6.606 -7.105 -17.172 1.00 0.69 N ATOM 1114 CA ALA A 66 -5.530 -7.791 -17.889 1.00 0.76 C ATOM 1115 C ALA A 66 -4.277 -7.999 -17.017 1.00 0.73 C ATOM 1116 O ALA A 66 -3.641 -9.047 -17.110 1.00 0.82 O ATOM 1117 CB ALA A 66 -5.215 -6.985 -19.154 1.00 0.81 C ATOM 0 H ALA A 66 -6.798 -6.169 -17.529 1.00 0.69 H new ATOM 0 HA ALA A 66 -5.861 -8.794 -18.158 1.00 0.76 H new ATOM 0 HB1 ALA A 66 -4.415 -7.475 -19.708 1.00 0.81 H new ATOM 0 HB2 ALA A 66 -6.106 -6.926 -19.779 1.00 0.81 H new ATOM 0 HB3 ALA A 66 -4.900 -5.979 -18.876 1.00 0.81 H new ATOM 1123 N TRP A 67 -3.961 -7.051 -16.123 1.00 0.63 N ATOM 1124 CA TRP A 67 -2.894 -7.196 -15.123 1.00 0.56 C ATOM 1125 C TRP A 67 -3.354 -8.087 -13.968 1.00 0.54 C ATOM 1126 O TRP A 67 -2.614 -8.965 -13.532 1.00 0.58 O ATOM 1127 CB TRP A 67 -2.467 -5.813 -14.594 1.00 0.50 C ATOM 1128 CG TRP A 67 -1.463 -5.772 -13.471 1.00 0.49 C ATOM 1129 CD1 TRP A 67 -1.496 -4.869 -12.462 1.00 0.58 C ATOM 1130 CD2 TRP A 67 -0.291 -6.617 -13.193 1.00 0.52 C ATOM 1131 NE1 TRP A 67 -0.494 -5.129 -11.554 1.00 0.65 N ATOM 1132 CE2 TRP A 67 0.271 -6.204 -11.942 1.00 0.65 C ATOM 1133 CE3 TRP A 67 0.367 -7.688 -13.850 1.00 0.54 C ATOM 1134 CZ2 TRP A 67 1.370 -6.841 -11.351 1.00 0.83 C ATOM 1135 CZ3 TRP A 67 1.470 -8.334 -13.259 1.00 0.70 C ATOM 1136 CH2 TRP A 67 1.962 -7.926 -12.013 1.00 0.88 C ATOM 0 H TRP A 67 -4.444 -6.154 -16.074 1.00 0.63 H new ATOM 0 HA TRP A 67 -2.036 -7.669 -15.601 1.00 0.56 H new ATOM 0 HB2 TRP A 67 -2.058 -5.246 -15.430 1.00 0.50 H new ATOM 0 HB3 TRP A 67 -3.364 -5.290 -14.262 1.00 0.50 H new ATOM 0 HD1 TRP A 67 -2.207 -4.060 -12.381 1.00 0.58 H new ATOM 0 HE1 TRP A 67 -0.339 -4.592 -10.701 1.00 0.65 H new ATOM 0 HE3 TRP A 67 0.017 -8.013 -14.819 1.00 0.54 H new ATOM 0 HZ2 TRP A 67 1.755 -6.502 -10.401 1.00 0.83 H new ATOM 0 HZ3 TRP A 67 1.944 -9.156 -13.774 1.00 0.70 H new ATOM 0 HH2 TRP A 67 2.795 -8.446 -11.563 1.00 0.88 H new ATOM 1147 N VAL A 68 -4.583 -7.882 -13.498 1.00 0.52 N ATOM 1148 CA VAL A 68 -5.156 -8.586 -12.339 1.00 0.54 C ATOM 1149 C VAL A 68 -5.414 -10.070 -12.657 1.00 0.65 C ATOM 1150 O VAL A 68 -5.140 -10.932 -11.823 1.00 0.70 O ATOM 1151 CB VAL A 68 -6.414 -7.851 -11.826 1.00 0.48 C ATOM 1152 CG1 VAL A 68 -7.067 -8.540 -10.625 1.00 0.47 C ATOM 1153 CG2 VAL A 68 -6.064 -6.425 -11.366 1.00 0.45 C ATOM 0 H VAL A 68 -5.226 -7.210 -13.916 1.00 0.52 H new ATOM 0 HA VAL A 68 -4.429 -8.574 -11.527 1.00 0.54 H new ATOM 0 HB VAL A 68 -7.105 -7.852 -12.669 1.00 0.48 H new ATOM 0 HG11 VAL A 68 -7.945 -7.974 -10.314 1.00 0.47 H new ATOM 0 HG12 VAL A 68 -7.367 -9.550 -10.904 1.00 0.47 H new ATOM 0 HG13 VAL A 68 -6.355 -8.587 -9.801 1.00 0.47 H new ATOM 0 HG21 VAL A 68 -6.965 -5.926 -11.009 1.00 0.45 H new ATOM 0 HG22 VAL A 68 -5.332 -6.472 -10.560 1.00 0.45 H new ATOM 0 HG23 VAL A 68 -5.647 -5.865 -12.203 1.00 0.45 H new ATOM 1163 N SER A 69 -5.890 -10.407 -13.859 1.00 0.71 N ATOM 1164 CA SER A 69 -6.018 -11.815 -14.277 1.00 0.79 C ATOM 1165 C SER A 69 -4.644 -12.475 -14.431 1.00 0.79 C ATOM 1166 O SER A 69 -4.435 -13.562 -13.912 1.00 0.87 O ATOM 1167 CB SER A 69 -6.802 -11.934 -15.593 1.00 0.85 C ATOM 1168 OG SER A 69 -7.246 -13.266 -15.823 1.00 0.94 O ATOM 0 H SER A 69 -6.193 -9.731 -14.560 1.00 0.71 H new ATOM 0 HA SER A 69 -6.569 -12.335 -13.493 1.00 0.79 H new ATOM 0 HB2 SER A 69 -7.661 -11.264 -15.567 1.00 0.85 H new ATOM 0 HB3 SER A 69 -6.172 -11.612 -16.422 1.00 0.85 H new ATOM 0 HG SER A 69 -7.742 -13.304 -16.667 1.00 0.94 H new ATOM 1174 N TYR A 70 -3.675 -11.812 -15.070 1.00 0.73 N ATOM 1175 CA TYR A 70 -2.290 -12.284 -15.206 1.00 0.71 C ATOM 1176 C TYR A 70 -1.607 -12.516 -13.842 1.00 0.68 C ATOM 1177 O TYR A 70 -0.979 -13.558 -13.646 1.00 0.70 O ATOM 1178 CB TYR A 70 -1.569 -11.258 -16.084 1.00 0.72 C ATOM 1179 CG TYR A 70 -0.155 -11.618 -16.464 1.00 0.80 C ATOM 1180 CD1 TYR A 70 0.089 -12.465 -17.558 1.00 2.19 C ATOM 1181 CD2 TYR A 70 0.914 -11.072 -15.741 1.00 1.93 C ATOM 1182 CE1 TYR A 70 1.412 -12.775 -17.926 1.00 2.26 C ATOM 1183 CE2 TYR A 70 2.238 -11.349 -16.120 1.00 1.96 C ATOM 1184 CZ TYR A 70 2.495 -12.211 -17.209 1.00 0.99 C ATOM 1185 OH TYR A 70 3.779 -12.501 -17.559 1.00 1.08 O ATOM 0 H TYR A 70 -3.834 -10.910 -15.519 1.00 0.73 H new ATOM 0 HA TYR A 70 -2.256 -13.267 -15.677 1.00 0.71 H new ATOM 0 HB2 TYR A 70 -2.148 -11.114 -16.996 1.00 0.72 H new ATOM 0 HB3 TYR A 70 -1.555 -10.302 -15.561 1.00 0.72 H new ATOM 0 HD1 TYR A 70 -0.738 -12.878 -18.116 1.00 2.19 H new ATOM 0 HD2 TYR A 70 0.719 -10.436 -14.890 1.00 1.93 H new ATOM 0 HE1 TYR A 70 1.601 -13.442 -18.754 1.00 2.26 H new ATOM 0 HE2 TYR A 70 3.059 -10.903 -15.579 1.00 1.96 H new ATOM 0 HH TYR A 70 4.396 -12.028 -16.962 1.00 1.08 H new ATOM 1195 N TYR A 71 -1.806 -11.617 -12.871 1.00 0.64 N ATOM 1196 CA TYR A 71 -1.388 -11.772 -11.470 1.00 0.69 C ATOM 1197 C TYR A 71 -1.928 -13.073 -10.839 1.00 0.76 C ATOM 1198 O TYR A 71 -1.162 -13.826 -10.233 1.00 0.78 O ATOM 1199 CB TYR A 71 -1.778 -10.509 -10.663 1.00 0.78 C ATOM 1200 CG TYR A 71 -2.188 -10.774 -9.224 1.00 1.70 C ATOM 1201 CD1 TYR A 71 -1.226 -11.110 -8.251 1.00 1.53 C ATOM 1202 CD2 TYR A 71 -3.555 -10.786 -8.885 1.00 3.72 C ATOM 1203 CE1 TYR A 71 -1.637 -11.522 -6.969 1.00 2.40 C ATOM 1204 CE2 TYR A 71 -3.973 -11.219 -7.616 1.00 4.75 C ATOM 1205 CZ TYR A 71 -3.014 -11.609 -6.661 1.00 3.89 C ATOM 1206 OH TYR A 71 -3.430 -12.062 -5.452 1.00 5.00 O ATOM 0 H TYR A 71 -2.279 -10.730 -13.044 1.00 0.64 H new ATOM 0 HA TYR A 71 -0.303 -11.868 -11.442 1.00 0.69 H new ATOM 0 HB2 TYR A 71 -0.934 -9.819 -10.664 1.00 0.78 H new ATOM 0 HB3 TYR A 71 -2.600 -10.008 -11.174 1.00 0.78 H new ATOM 0 HD1 TYR A 71 -0.174 -11.052 -8.488 1.00 1.53 H new ATOM 0 HD2 TYR A 71 -4.288 -10.459 -9.607 1.00 3.72 H new ATOM 0 HE1 TYR A 71 -0.900 -11.772 -6.220 1.00 2.40 H new ATOM 0 HE2 TYR A 71 -5.025 -11.253 -7.374 1.00 4.75 H new ATOM 0 HH TYR A 71 -4.346 -11.756 -5.286 1.00 5.00 H new ATOM 1216 N GLN A 72 -3.221 -13.358 -11.014 1.00 0.84 N ATOM 1217 CA GLN A 72 -3.863 -14.573 -10.500 1.00 0.96 C ATOM 1218 C GLN A 72 -3.458 -15.834 -11.282 1.00 0.99 C ATOM 1219 O GLN A 72 -3.237 -16.886 -10.683 1.00 1.07 O ATOM 1220 CB GLN A 72 -5.393 -14.394 -10.535 1.00 1.11 C ATOM 1221 CG GLN A 72 -5.910 -13.580 -9.338 1.00 1.23 C ATOM 1222 CD GLN A 72 -7.425 -13.707 -9.156 1.00 1.75 C ATOM 1223 OE1 GLN A 72 -7.946 -14.744 -8.757 1.00 2.21 O ATOM 1224 NE2 GLN A 72 -8.196 -12.675 -9.436 1.00 2.69 N ATOM 0 H GLN A 72 -3.859 -12.746 -11.522 1.00 0.84 H new ATOM 0 HA GLN A 72 -3.523 -14.718 -9.474 1.00 0.96 H new ATOM 0 HB2 GLN A 72 -5.678 -13.895 -11.461 1.00 1.11 H new ATOM 0 HB3 GLN A 72 -5.872 -15.373 -10.540 1.00 1.11 H new ATOM 0 HG2 GLN A 72 -5.408 -13.915 -8.430 1.00 1.23 H new ATOM 0 HG3 GLN A 72 -5.650 -12.531 -9.476 1.00 1.23 H new ATOM 0 HE21 GLN A 72 -7.782 -11.804 -9.769 1.00 2.69 H new ATOM 0 HE22 GLN A 72 -9.207 -12.747 -9.320 1.00 2.69 H new ATOM 1233 N ALA A 73 -3.350 -15.739 -12.608 1.00 0.97 N ATOM 1234 CA ALA A 73 -3.177 -16.875 -13.518 1.00 1.08 C ATOM 1235 C ALA A 73 -1.773 -17.494 -13.424 1.00 1.08 C ATOM 1236 O ALA A 73 -1.619 -18.716 -13.454 1.00 1.17 O ATOM 1237 CB ALA A 73 -3.490 -16.378 -14.940 1.00 1.11 C ATOM 0 H ALA A 73 -3.381 -14.843 -13.094 1.00 0.97 H new ATOM 0 HA ALA A 73 -3.860 -17.677 -13.238 1.00 1.08 H new ATOM 0 HB1 ALA A 73 -3.371 -17.199 -15.647 1.00 1.11 H new ATOM 0 HB2 ALA A 73 -4.515 -16.011 -14.980 1.00 1.11 H new ATOM 0 HB3 ALA A 73 -2.805 -15.572 -15.203 1.00 1.11 H new ATOM 1243 N LYS A 74 -0.750 -16.646 -13.291 1.00 1.01 N ATOM 1244 CA LYS A 74 0.654 -17.029 -13.084 1.00 1.09 C ATOM 1245 C LYS A 74 1.054 -17.098 -11.590 1.00 1.02 C ATOM 1246 O LYS A 74 2.184 -17.470 -11.271 1.00 1.06 O ATOM 1247 CB LYS A 74 1.512 -16.027 -13.873 1.00 1.17 C ATOM 1248 CG LYS A 74 1.835 -16.437 -15.316 1.00 1.13 C ATOM 1249 CD LYS A 74 0.683 -16.866 -16.240 1.00 1.35 C ATOM 1250 CE LYS A 74 -0.111 -15.655 -16.742 1.00 1.67 C ATOM 1251 NZ LYS A 74 -1.131 -16.047 -17.753 1.00 2.06 N ATOM 0 H LYS A 74 -0.879 -15.635 -13.325 1.00 1.01 H new ATOM 0 HA LYS A 74 0.816 -18.044 -13.448 1.00 1.09 H new ATOM 0 HB2 LYS A 74 0.996 -15.067 -13.892 1.00 1.17 H new ATOM 0 HB3 LYS A 74 2.449 -15.875 -13.337 1.00 1.17 H new ATOM 0 HG2 LYS A 74 2.344 -15.599 -15.791 1.00 1.13 H new ATOM 0 HG3 LYS A 74 2.548 -17.260 -15.273 1.00 1.13 H new ATOM 0 HD2 LYS A 74 1.083 -17.419 -17.090 1.00 1.35 H new ATOM 0 HD3 LYS A 74 0.017 -17.543 -15.704 1.00 1.35 H new ATOM 0 HE2 LYS A 74 -0.602 -15.167 -15.900 1.00 1.67 H new ATOM 0 HE3 LYS A 74 0.573 -14.927 -17.178 1.00 1.67 H new ATOM 0 HZ1 LYS A 74 -1.648 -15.202 -18.070 1.00 2.06 H new ATOM 0 HZ2 LYS A 74 -0.660 -16.490 -18.568 1.00 2.06 H new ATOM 0 HZ3 LYS A 74 -1.798 -16.723 -17.329 1.00 2.06 H new ATOM 1265 N ASN A 75 0.133 -16.766 -10.678 1.00 0.93 N ATOM 1266 CA ASN A 75 0.263 -16.884 -9.216 1.00 0.88 C ATOM 1267 C ASN A 75 1.372 -15.980 -8.629 1.00 0.75 C ATOM 1268 O ASN A 75 2.146 -16.396 -7.762 1.00 0.72 O ATOM 1269 CB ASN A 75 0.397 -18.356 -8.783 1.00 1.07 C ATOM 1270 CG ASN A 75 -0.760 -19.233 -9.254 1.00 1.33 C ATOM 1271 OD1 ASN A 75 -1.826 -19.263 -8.649 1.00 1.91 O ATOM 1272 ND2 ASN A 75 -0.583 -19.979 -10.331 1.00 2.79 N ATOM 0 H ASN A 75 -0.773 -16.387 -10.952 1.00 0.93 H new ATOM 0 HA ASN A 75 -0.665 -16.507 -8.786 1.00 0.88 H new ATOM 0 HB2 ASN A 75 1.331 -18.759 -9.174 1.00 1.07 H new ATOM 0 HB3 ASN A 75 0.460 -18.403 -7.696 1.00 1.07 H new ATOM 0 HD21 ASN A 75 -1.335 -20.583 -10.662 1.00 2.79 H new ATOM 0 HD22 ASN A 75 0.306 -19.950 -10.831 1.00 2.79 H new ATOM 1279 N PHE A 76 1.463 -14.728 -9.098 1.00 0.69 N ATOM 1280 CA PHE A 76 2.542 -13.792 -8.744 1.00 0.63 C ATOM 1281 C PHE A 76 2.609 -13.418 -7.249 1.00 0.59 C ATOM 1282 O PHE A 76 3.673 -13.020 -6.774 1.00 0.53 O ATOM 1283 CB PHE A 76 2.401 -12.535 -9.611 1.00 0.61 C ATOM 1284 CG PHE A 76 3.017 -12.670 -10.986 1.00 0.68 C ATOM 1285 CD1 PHE A 76 4.398 -12.467 -11.138 1.00 1.47 C ATOM 1286 CD2 PHE A 76 2.234 -12.980 -12.113 1.00 1.78 C ATOM 1287 CE1 PHE A 76 4.990 -12.528 -12.410 1.00 1.52 C ATOM 1288 CE2 PHE A 76 2.824 -13.024 -13.386 1.00 1.81 C ATOM 1289 CZ PHE A 76 4.200 -12.793 -13.538 1.00 0.83 C ATOM 0 H PHE A 76 0.780 -14.330 -9.743 1.00 0.69 H new ATOM 0 HA PHE A 76 3.483 -14.305 -8.941 1.00 0.63 H new ATOM 0 HB2 PHE A 76 1.343 -12.296 -9.719 1.00 0.61 H new ATOM 0 HB3 PHE A 76 2.866 -11.695 -9.095 1.00 0.61 H new ATOM 0 HD1 PHE A 76 5.009 -12.263 -10.271 1.00 1.47 H new ATOM 0 HD2 PHE A 76 1.180 -13.184 -11.999 1.00 1.78 H new ATOM 0 HE1 PHE A 76 6.053 -12.371 -12.519 1.00 1.52 H new ATOM 0 HE2 PHE A 76 2.216 -13.237 -14.253 1.00 1.81 H new ATOM 0 HZ PHE A 76 4.649 -12.819 -14.520 1.00 0.83 H new ATOM 1299 N LEU A 77 1.549 -13.682 -6.474 1.00 0.65 N ATOM 1300 CA LEU A 77 1.531 -13.562 -5.009 1.00 0.74 C ATOM 1301 C LEU A 77 2.612 -14.427 -4.323 1.00 0.75 C ATOM 1302 O LEU A 77 3.017 -14.124 -3.204 1.00 0.84 O ATOM 1303 CB LEU A 77 0.114 -13.949 -4.527 1.00 0.94 C ATOM 1304 CG LEU A 77 -0.337 -13.292 -3.207 1.00 0.93 C ATOM 1305 CD1 LEU A 77 -0.511 -11.765 -3.308 1.00 2.59 C ATOM 1306 CD2 LEU A 77 -1.689 -13.894 -2.808 1.00 1.20 C ATOM 0 H LEU A 77 0.657 -13.993 -6.858 1.00 0.65 H new ATOM 0 HA LEU A 77 1.767 -12.535 -4.732 1.00 0.74 H new ATOM 0 HB2 LEU A 77 -0.601 -13.687 -5.307 1.00 0.94 H new ATOM 0 HB3 LEU A 77 0.072 -15.032 -4.407 1.00 0.94 H new ATOM 0 HG LEU A 77 0.444 -13.484 -2.472 1.00 0.93 H new ATOM 0 HD11 LEU A 77 -0.829 -11.370 -2.343 1.00 2.59 H new ATOM 0 HD12 LEU A 77 0.437 -11.309 -3.592 1.00 2.59 H new ATOM 0 HD13 LEU A 77 -1.264 -11.534 -4.061 1.00 2.59 H new ATOM 0 HD21 LEU A 77 -2.027 -13.443 -1.875 1.00 1.20 H new ATOM 0 HD22 LEU A 77 -2.420 -13.698 -3.592 1.00 1.20 H new ATOM 0 HD23 LEU A 77 -1.582 -14.970 -2.672 1.00 1.20 H new ATOM 1318 N ALA A 78 3.112 -15.473 -4.994 1.00 0.72 N ATOM 1319 CA ALA A 78 4.224 -16.299 -4.523 1.00 0.76 C ATOM 1320 C ALA A 78 5.611 -15.634 -4.668 1.00 0.70 C ATOM 1321 O ALA A 78 6.543 -16.035 -3.968 1.00 0.75 O ATOM 1322 CB ALA A 78 4.175 -17.624 -5.295 1.00 0.79 C ATOM 0 H ALA A 78 2.745 -15.772 -5.897 1.00 0.72 H new ATOM 0 HA ALA A 78 4.101 -16.452 -3.451 1.00 0.76 H new ATOM 0 HB1 ALA A 78 4.993 -18.266 -4.968 1.00 0.79 H new ATOM 0 HB2 ALA A 78 3.224 -18.121 -5.104 1.00 0.79 H new ATOM 0 HB3 ALA A 78 4.273 -17.427 -6.363 1.00 0.79 H new ATOM 1328 N ILE A 79 5.768 -14.648 -5.564 1.00 0.61 N ATOM 1329 CA ILE A 79 7.069 -14.017 -5.890 1.00 0.57 C ATOM 1330 C ILE A 79 7.135 -12.517 -5.551 1.00 0.52 C ATOM 1331 O ILE A 79 8.225 -11.946 -5.536 1.00 0.53 O ATOM 1332 CB ILE A 79 7.513 -14.339 -7.346 1.00 0.54 C ATOM 1333 CG1 ILE A 79 6.798 -13.581 -8.493 1.00 0.51 C ATOM 1334 CG2 ILE A 79 7.377 -15.849 -7.622 1.00 0.61 C ATOM 1335 CD1 ILE A 79 7.404 -12.208 -8.806 1.00 0.62 C ATOM 0 H ILE A 79 4.989 -14.257 -6.093 1.00 0.61 H new ATOM 0 HA ILE A 79 7.804 -14.474 -5.227 1.00 0.57 H new ATOM 0 HB ILE A 79 8.545 -13.988 -7.366 1.00 0.54 H new ATOM 0 HG12 ILE A 79 6.828 -14.194 -9.394 1.00 0.51 H new ATOM 0 HG13 ILE A 79 5.748 -13.452 -8.230 1.00 0.51 H new ATOM 0 HG21 ILE A 79 7.691 -16.062 -8.644 1.00 0.61 H new ATOM 0 HG22 ILE A 79 8.006 -16.404 -6.926 1.00 0.61 H new ATOM 0 HG23 ILE A 79 6.338 -16.151 -7.491 1.00 0.61 H new ATOM 0 HD11 ILE A 79 6.848 -11.742 -9.619 1.00 0.62 H new ATOM 0 HD12 ILE A 79 7.349 -11.576 -7.920 1.00 0.62 H new ATOM 0 HD13 ILE A 79 8.446 -12.329 -9.102 1.00 0.62 H new ATOM 1347 N ASP A 80 6.004 -11.881 -5.229 1.00 0.51 N ATOM 1348 CA ASP A 80 5.932 -10.479 -4.801 1.00 0.51 C ATOM 1349 C ASP A 80 6.587 -10.257 -3.413 1.00 0.47 C ATOM 1350 O ASP A 80 6.182 -10.909 -2.446 1.00 0.52 O ATOM 1351 CB ASP A 80 4.464 -10.016 -4.752 1.00 0.65 C ATOM 1352 CG ASP A 80 3.816 -9.810 -6.134 1.00 1.93 C ATOM 1353 OD1 ASP A 80 4.490 -9.257 -7.033 1.00 2.84 O ATOM 1354 OD2 ASP A 80 2.614 -10.130 -6.279 1.00 3.44 O ATOM 0 H ASP A 80 5.092 -12.337 -5.259 1.00 0.51 H new ATOM 0 HA ASP A 80 6.486 -9.890 -5.532 1.00 0.51 H new ATOM 0 HB2 ASP A 80 3.882 -10.752 -4.197 1.00 0.65 H new ATOM 0 HB3 ASP A 80 4.409 -9.081 -4.195 1.00 0.65 H new ATOM 1359 N PRO A 81 7.542 -9.312 -3.263 1.00 0.48 N ATOM 1360 CA PRO A 81 8.195 -9.014 -1.984 1.00 0.53 C ATOM 1361 C PRO A 81 7.371 -8.095 -1.062 1.00 0.59 C ATOM 1362 O PRO A 81 7.664 -8.027 0.129 1.00 0.65 O ATOM 1363 CB PRO A 81 9.529 -8.366 -2.370 1.00 0.57 C ATOM 1364 CG PRO A 81 9.199 -7.638 -3.672 1.00 0.58 C ATOM 1365 CD PRO A 81 8.168 -8.549 -4.337 1.00 0.56 C ATOM 0 HA PRO A 81 8.317 -9.925 -1.398 1.00 0.53 H new ATOM 0 HB2 PRO A 81 9.880 -7.677 -1.601 1.00 0.57 H new ATOM 0 HB3 PRO A 81 10.312 -9.111 -2.512 1.00 0.57 H new ATOM 0 HG2 PRO A 81 8.794 -6.643 -3.485 1.00 0.58 H new ATOM 0 HG3 PRO A 81 10.084 -7.510 -4.296 1.00 0.58 H new ATOM 0 HD2 PRO A 81 7.427 -7.964 -4.882 1.00 0.56 H new ATOM 0 HD3 PRO A 81 8.644 -9.213 -5.059 1.00 0.56 H new ATOM 1373 N VAL A 82 6.335 -7.415 -1.574 1.00 0.61 N ATOM 1374 CA VAL A 82 5.486 -6.458 -0.817 1.00 0.70 C ATOM 1375 C VAL A 82 4.694 -7.087 0.344 1.00 0.81 C ATOM 1376 O VAL A 82 4.097 -6.377 1.151 1.00 0.90 O ATOM 1377 CB VAL A 82 4.489 -5.720 -1.742 1.00 0.90 C ATOM 1378 CG1 VAL A 82 5.213 -5.064 -2.934 1.00 1.78 C ATOM 1379 CG2 VAL A 82 3.385 -6.677 -2.234 1.00 2.34 C ATOM 0 H VAL A 82 6.050 -7.511 -2.549 1.00 0.61 H new ATOM 0 HA VAL A 82 6.202 -5.757 -0.387 1.00 0.70 H new ATOM 0 HB VAL A 82 4.020 -4.928 -1.159 1.00 0.90 H new ATOM 0 HG11 VAL A 82 4.486 -4.553 -3.565 1.00 1.78 H new ATOM 0 HG12 VAL A 82 5.942 -4.343 -2.565 1.00 1.78 H new ATOM 0 HG13 VAL A 82 5.724 -5.831 -3.516 1.00 1.78 H new ATOM 0 HG21 VAL A 82 2.696 -6.135 -2.882 1.00 2.34 H new ATOM 0 HG22 VAL A 82 3.837 -7.498 -2.790 1.00 2.34 H new ATOM 0 HG23 VAL A 82 2.840 -7.075 -1.378 1.00 2.34 H new ATOM 1389 N LEU A 83 4.659 -8.420 0.398 1.00 0.86 N ATOM 1390 CA LEU A 83 3.954 -9.224 1.398 1.00 0.94 C ATOM 1391 C LEU A 83 4.899 -10.109 2.231 1.00 0.98 C ATOM 1392 O LEU A 83 4.441 -10.865 3.085 1.00 1.14 O ATOM 1393 CB LEU A 83 2.831 -9.998 0.679 1.00 0.89 C ATOM 1394 CG LEU A 83 3.227 -10.844 -0.557 1.00 0.63 C ATOM 1395 CD1 LEU A 83 4.128 -12.040 -0.221 1.00 0.87 C ATOM 1396 CD2 LEU A 83 1.942 -11.342 -1.216 1.00 0.85 C ATOM 0 H LEU A 83 5.146 -8.996 -0.289 1.00 0.86 H new ATOM 0 HA LEU A 83 3.502 -8.574 2.147 1.00 0.94 H new ATOM 0 HB2 LEU A 83 2.361 -10.662 1.405 1.00 0.89 H new ATOM 0 HB3 LEU A 83 2.073 -9.279 0.367 1.00 0.89 H new ATOM 0 HG LEU A 83 3.808 -10.207 -1.224 1.00 0.63 H new ATOM 0 HD11 LEU A 83 4.364 -12.586 -1.135 1.00 0.87 H new ATOM 0 HD12 LEU A 83 5.050 -11.683 0.237 1.00 0.87 H new ATOM 0 HD13 LEU A 83 3.610 -12.702 0.473 1.00 0.87 H new ATOM 0 HD21 LEU A 83 2.191 -11.942 -2.091 1.00 0.85 H new ATOM 0 HD22 LEU A 83 1.381 -11.950 -0.506 1.00 0.85 H new ATOM 0 HD23 LEU A 83 1.336 -10.489 -1.521 1.00 0.85 H new ATOM 1408 N ASN A 84 6.212 -10.019 1.998 1.00 0.89 N ATOM 1409 CA ASN A 84 7.235 -10.759 2.735 1.00 0.92 C ATOM 1410 C ASN A 84 7.797 -9.875 3.869 1.00 0.79 C ATOM 1411 O ASN A 84 8.566 -8.956 3.569 1.00 0.73 O ATOM 1412 CB ASN A 84 8.341 -11.148 1.734 1.00 0.97 C ATOM 1413 CG ASN A 84 8.022 -12.395 0.908 1.00 1.53 C ATOM 1414 OD1 ASN A 84 7.201 -13.232 1.267 1.00 2.31 O ATOM 1415 ND2 ASN A 84 8.677 -12.566 -0.226 1.00 2.24 N ATOM 0 H ASN A 84 6.600 -9.414 1.274 1.00 0.89 H new ATOM 0 HA ASN A 84 6.820 -11.658 3.191 1.00 0.92 H new ATOM 0 HB2 ASN A 84 8.515 -10.311 1.057 1.00 0.97 H new ATOM 0 HB3 ASN A 84 9.269 -11.314 2.281 1.00 0.97 H new ATOM 0 HD21 ASN A 84 8.499 -13.391 -0.798 1.00 2.24 H new ATOM 0 HD22 ASN A 84 9.361 -11.873 -0.529 1.00 2.24 H new ATOM 1422 N PRO A 85 7.470 -10.133 5.156 1.00 0.83 N ATOM 1423 CA PRO A 85 7.733 -9.195 6.252 1.00 0.76 C ATOM 1424 C PRO A 85 9.225 -9.007 6.567 1.00 0.76 C ATOM 1425 O PRO A 85 9.603 -7.976 7.120 1.00 0.80 O ATOM 1426 CB PRO A 85 6.956 -9.739 7.457 1.00 0.85 C ATOM 1427 CG PRO A 85 6.824 -11.232 7.166 1.00 0.93 C ATOM 1428 CD PRO A 85 6.686 -11.260 5.646 1.00 0.96 C ATOM 0 HA PRO A 85 7.406 -8.194 5.973 1.00 0.76 H new ATOM 0 HB2 PRO A 85 7.490 -9.560 8.390 1.00 0.85 H new ATOM 0 HB3 PRO A 85 5.980 -9.263 7.551 1.00 0.85 H new ATOM 0 HG2 PRO A 85 7.697 -11.790 7.505 1.00 0.93 H new ATOM 0 HG3 PRO A 85 5.955 -11.667 7.661 1.00 0.93 H new ATOM 0 HD2 PRO A 85 7.055 -12.201 5.237 1.00 0.96 H new ATOM 0 HD3 PRO A 85 5.642 -11.170 5.346 1.00 0.96 H new ATOM 1436 N GLU A 86 10.083 -9.960 6.189 1.00 0.84 N ATOM 1437 CA GLU A 86 11.534 -9.899 6.395 1.00 0.97 C ATOM 1438 C GLU A 86 12.223 -8.864 5.486 1.00 0.92 C ATOM 1439 O GLU A 86 13.278 -8.333 5.842 1.00 1.03 O ATOM 1440 CB GLU A 86 12.164 -11.279 6.170 1.00 1.21 C ATOM 1441 CG GLU A 86 11.544 -12.368 7.060 1.00 1.30 C ATOM 1442 CD GLU A 86 10.462 -13.204 6.349 1.00 1.74 C ATOM 1443 OE1 GLU A 86 9.715 -12.654 5.504 1.00 2.72 O ATOM 1444 OE2 GLU A 86 10.346 -14.417 6.649 1.00 2.46 O ATOM 0 H GLU A 86 9.781 -10.815 5.721 1.00 0.84 H new ATOM 0 HA GLU A 86 11.688 -9.582 7.427 1.00 0.97 H new ATOM 0 HB2 GLU A 86 12.047 -11.561 5.124 1.00 1.21 H new ATOM 0 HB3 GLU A 86 13.235 -11.221 6.367 1.00 1.21 H new ATOM 0 HG2 GLU A 86 12.334 -13.033 7.409 1.00 1.30 H new ATOM 0 HG3 GLU A 86 11.108 -11.900 7.942 1.00 1.30 H new ATOM 1451 N ASN A 87 11.628 -8.551 4.326 1.00 0.80 N ATOM 1452 CA ASN A 87 12.158 -7.564 3.376 1.00 0.75 C ATOM 1453 C ASN A 87 11.975 -6.113 3.880 1.00 0.73 C ATOM 1454 O ASN A 87 12.666 -5.200 3.420 1.00 0.75 O ATOM 1455 CB ASN A 87 11.488 -7.775 2.002 1.00 0.75 C ATOM 1456 CG ASN A 87 12.415 -7.473 0.822 1.00 1.12 C ATOM 1457 OD1 ASN A 87 12.500 -8.241 -0.129 1.00 1.94 O ATOM 1458 ND2 ASN A 87 13.157 -6.379 0.840 1.00 2.40 N ATOM 0 H ASN A 87 10.756 -8.981 4.018 1.00 0.80 H new ATOM 0 HA ASN A 87 13.233 -7.716 3.279 1.00 0.75 H new ATOM 0 HB2 ASN A 87 11.143 -8.806 1.929 1.00 0.75 H new ATOM 0 HB3 ASN A 87 10.606 -7.138 1.934 1.00 0.75 H new ATOM 0 HD21 ASN A 87 13.792 -6.181 0.067 1.00 2.40 H new ATOM 0 HD22 ASN A 87 13.094 -5.733 1.627 1.00 2.40 H new ATOM 1465 N PHE A 88 11.069 -5.895 4.841 1.00 0.73 N ATOM 1466 CA PHE A 88 10.798 -4.610 5.491 1.00 0.79 C ATOM 1467 C PHE A 88 11.787 -4.379 6.643 1.00 0.87 C ATOM 1468 O PHE A 88 11.409 -4.206 7.801 1.00 0.90 O ATOM 1469 CB PHE A 88 9.331 -4.574 5.948 1.00 0.77 C ATOM 1470 CG PHE A 88 8.362 -4.651 4.792 1.00 0.69 C ATOM 1471 CD1 PHE A 88 7.988 -5.898 4.262 1.00 1.87 C ATOM 1472 CD2 PHE A 88 7.881 -3.468 4.209 1.00 1.71 C ATOM 1473 CE1 PHE A 88 7.136 -5.970 3.148 1.00 1.87 C ATOM 1474 CE2 PHE A 88 6.987 -3.536 3.131 1.00 1.68 C ATOM 1475 CZ PHE A 88 6.624 -4.781 2.591 1.00 0.57 C ATOM 0 H PHE A 88 10.479 -6.645 5.202 1.00 0.73 H new ATOM 0 HA PHE A 88 10.944 -3.791 4.787 1.00 0.79 H new ATOM 0 HB2 PHE A 88 9.146 -5.405 6.629 1.00 0.77 H new ATOM 0 HB3 PHE A 88 9.151 -3.656 6.508 1.00 0.77 H new ATOM 0 HD1 PHE A 88 8.358 -6.806 4.714 1.00 1.87 H new ATOM 0 HD2 PHE A 88 8.199 -2.508 4.590 1.00 1.71 H new ATOM 0 HE1 PHE A 88 6.876 -6.928 2.722 1.00 1.87 H new ATOM 0 HE2 PHE A 88 6.576 -2.628 2.714 1.00 1.68 H new ATOM 0 HZ PHE A 88 5.951 -4.827 1.747 1.00 0.57 H new ATOM 1485 N SER A 89 13.082 -4.412 6.334 1.00 0.95 N ATOM 1486 CA SER A 89 14.153 -4.593 7.329 1.00 1.09 C ATOM 1487 C SER A 89 14.364 -3.359 8.230 1.00 1.14 C ATOM 1488 O SER A 89 14.892 -3.471 9.337 1.00 1.26 O ATOM 1489 CB SER A 89 15.465 -4.919 6.601 1.00 1.18 C ATOM 1490 OG SER A 89 15.305 -5.957 5.635 1.00 1.04 O ATOM 0 H SER A 89 13.427 -4.314 5.379 1.00 0.95 H new ATOM 0 HA SER A 89 13.849 -5.412 7.981 1.00 1.09 H new ATOM 0 HB2 SER A 89 15.837 -4.021 6.108 1.00 1.18 H new ATOM 0 HB3 SER A 89 16.218 -5.217 7.330 1.00 1.18 H new ATOM 0 HG SER A 89 14.598 -6.569 5.927 1.00 1.04 H new ATOM 1496 N GLN A 90 13.911 -2.192 7.767 1.00 1.08 N ATOM 1497 CA GLN A 90 13.810 -0.943 8.531 1.00 1.13 C ATOM 1498 C GLN A 90 12.364 -0.396 8.490 1.00 0.99 C ATOM 1499 O GLN A 90 12.143 0.818 8.598 1.00 1.03 O ATOM 1500 CB GLN A 90 14.864 0.051 7.998 1.00 1.34 C ATOM 1501 CG GLN A 90 16.318 -0.343 8.332 1.00 1.55 C ATOM 1502 CD GLN A 90 16.681 -0.258 9.823 1.00 2.91 C ATOM 1503 OE1 GLN A 90 15.920 0.189 10.675 1.00 3.72 O ATOM 1504 NE2 GLN A 90 17.874 -0.670 10.205 1.00 3.88 N ATOM 0 H GLN A 90 13.589 -2.085 6.805 1.00 1.08 H new ATOM 0 HA GLN A 90 14.027 -1.116 9.585 1.00 1.13 H new ATOM 0 HB2 GLN A 90 14.759 0.132 6.916 1.00 1.34 H new ATOM 0 HB3 GLN A 90 14.661 1.038 8.413 1.00 1.34 H new ATOM 0 HG2 GLN A 90 16.492 -1.362 7.987 1.00 1.55 H new ATOM 0 HG3 GLN A 90 16.993 0.303 7.770 1.00 1.55 H new ATOM 0 HE21 GLN A 90 18.528 -1.046 9.518 1.00 3.88 H new ATOM 0 HE22 GLN A 90 18.143 -0.612 11.187 1.00 3.88 H new ATOM 1513 N GLY A 91 11.363 -1.273 8.318 1.00 0.89 N ATOM 1514 CA GLY A 91 9.936 -0.923 8.371 1.00 0.92 C ATOM 1515 C GLY A 91 9.356 -0.364 7.069 1.00 0.87 C ATOM 1516 O GLY A 91 8.274 0.210 7.100 1.00 0.99 O ATOM 0 H GLY A 91 11.526 -2.263 8.135 1.00 0.89 H new ATOM 0 HA2 GLY A 91 9.370 -1.812 8.651 1.00 0.92 H new ATOM 0 HA3 GLY A 91 9.787 -0.188 9.162 1.00 0.92 H new ATOM 1520 N HIS A 92 10.062 -0.473 5.939 1.00 0.76 N ATOM 1521 CA HIS A 92 9.701 0.162 4.663 1.00 0.72 C ATOM 1522 C HIS A 92 10.264 -0.620 3.452 1.00 0.72 C ATOM 1523 O HIS A 92 11.193 -1.419 3.613 1.00 0.77 O ATOM 1524 CB HIS A 92 10.212 1.615 4.696 1.00 0.73 C ATOM 1525 CG HIS A 92 9.996 2.380 3.415 1.00 0.70 C ATOM 1526 ND1 HIS A 92 8.787 2.685 2.828 1.00 0.69 N ATOM 1527 CD2 HIS A 92 10.976 2.808 2.560 1.00 0.74 C ATOM 1528 CE1 HIS A 92 9.035 3.288 1.655 1.00 0.70 C ATOM 1529 NE2 HIS A 92 10.358 3.395 1.453 1.00 0.72 N ATOM 0 H HIS A 92 10.922 -1.018 5.883 1.00 0.76 H new ATOM 0 HA HIS A 92 8.618 0.155 4.540 1.00 0.72 H new ATOM 0 HB2 HIS A 92 9.715 2.144 5.509 1.00 0.73 H new ATOM 0 HB3 HIS A 92 11.278 1.608 4.925 1.00 0.73 H new ATOM 0 HD1 HIS A 92 7.865 2.487 3.217 1.00 0.69 H new ATOM 0 HD2 HIS A 92 12.040 2.709 2.714 1.00 0.74 H new ATOM 0 HE1 HIS A 92 8.277 3.638 0.970 1.00 0.70 H new ATOM 1537 N LEU A 93 9.711 -0.393 2.248 1.00 0.69 N ATOM 1538 CA LEU A 93 10.109 -1.058 1.003 1.00 0.70 C ATOM 1539 C LEU A 93 9.950 -0.132 -0.222 1.00 0.66 C ATOM 1540 O LEU A 93 8.956 0.584 -0.348 1.00 0.66 O ATOM 1541 CB LEU A 93 9.264 -2.341 0.878 1.00 0.80 C ATOM 1542 CG LEU A 93 9.661 -3.318 -0.242 1.00 0.55 C ATOM 1543 CD1 LEU A 93 11.080 -3.839 -0.028 1.00 0.92 C ATOM 1544 CD2 LEU A 93 8.721 -4.527 -0.226 1.00 1.46 C ATOM 0 H LEU A 93 8.954 0.277 2.114 1.00 0.69 H new ATOM 0 HA LEU A 93 11.169 -1.312 1.032 1.00 0.70 H new ATOM 0 HB2 LEU A 93 9.310 -2.874 1.828 1.00 0.80 H new ATOM 0 HB3 LEU A 93 8.224 -2.051 0.725 1.00 0.80 H new ATOM 0 HG LEU A 93 9.599 -2.783 -1.190 1.00 0.55 H new ATOM 0 HD11 LEU A 93 11.340 -4.528 -0.832 1.00 0.92 H new ATOM 0 HD12 LEU A 93 11.779 -3.002 -0.028 1.00 0.92 H new ATOM 0 HD13 LEU A 93 11.136 -4.359 0.928 1.00 0.92 H new ATOM 0 HD21 LEU A 93 9.004 -5.218 -1.020 1.00 1.46 H new ATOM 0 HD22 LEU A 93 8.794 -5.032 0.737 1.00 1.46 H new ATOM 0 HD23 LEU A 93 7.696 -4.193 -0.384 1.00 1.46 H new ATOM 1556 N MET A 94 10.913 -0.181 -1.149 1.00 0.66 N ATOM 1557 CA MET A 94 10.916 0.565 -2.421 1.00 0.63 C ATOM 1558 C MET A 94 11.007 -0.379 -3.627 1.00 0.75 C ATOM 1559 O MET A 94 11.585 -1.463 -3.537 1.00 0.94 O ATOM 1560 CB MET A 94 12.108 1.532 -2.462 1.00 0.59 C ATOM 1561 CG MET A 94 11.924 2.731 -1.531 1.00 0.80 C ATOM 1562 SD MET A 94 13.363 3.825 -1.538 1.00 0.76 S ATOM 1563 CE MET A 94 12.585 5.297 -0.844 1.00 0.63 C ATOM 0 H MET A 94 11.744 -0.761 -1.034 1.00 0.66 H new ATOM 0 HA MET A 94 9.978 1.118 -2.477 1.00 0.63 H new ATOM 0 HB2 MET A 94 13.016 0.996 -2.184 1.00 0.59 H new ATOM 0 HB3 MET A 94 12.248 1.887 -3.483 1.00 0.59 H new ATOM 0 HG2 MET A 94 11.041 3.293 -1.835 1.00 0.80 H new ATOM 0 HG3 MET A 94 11.743 2.377 -0.516 1.00 0.80 H new ATOM 0 HE1 MET A 94 13.347 6.047 -0.635 1.00 0.63 H new ATOM 0 HE2 MET A 94 11.866 5.699 -1.558 1.00 0.63 H new ATOM 0 HE3 MET A 94 12.071 5.035 0.081 1.00 0.63 H new ATOM 1573 N TRP A 95 10.473 0.055 -4.773 1.00 0.68 N ATOM 1574 CA TRP A 95 10.534 -0.681 -6.040 1.00 0.67 C ATOM 1575 C TRP A 95 11.833 -0.340 -6.789 1.00 0.76 C ATOM 1576 O TRP A 95 12.135 0.836 -7.001 1.00 0.93 O ATOM 1577 CB TRP A 95 9.306 -0.334 -6.899 1.00 0.58 C ATOM 1578 CG TRP A 95 7.948 -0.764 -6.416 1.00 0.54 C ATOM 1579 CD1 TRP A 95 7.540 -0.902 -5.132 1.00 0.58 C ATOM 1580 CD2 TRP A 95 6.771 -1.084 -7.226 1.00 0.55 C ATOM 1581 NE1 TRP A 95 6.215 -1.273 -5.089 1.00 0.61 N ATOM 1582 CE2 TRP A 95 5.686 -1.405 -6.353 1.00 0.64 C ATOM 1583 CE3 TRP A 95 6.507 -1.112 -8.614 1.00 0.58 C ATOM 1584 CZ2 TRP A 95 4.411 -1.737 -6.831 1.00 0.80 C ATOM 1585 CZ3 TRP A 95 5.234 -1.455 -9.105 1.00 0.74 C ATOM 1586 CH2 TRP A 95 4.189 -1.767 -8.217 1.00 0.86 C ATOM 0 H TRP A 95 9.977 0.943 -4.848 1.00 0.68 H new ATOM 0 HA TRP A 95 10.529 -1.752 -5.835 1.00 0.67 H new ATOM 0 HB2 TRP A 95 9.285 0.748 -7.026 1.00 0.58 H new ATOM 0 HB3 TRP A 95 9.459 -0.768 -7.887 1.00 0.58 H new ATOM 0 HD1 TRP A 95 8.165 -0.744 -4.266 1.00 0.58 H new ATOM 0 HE1 TRP A 95 5.691 -1.430 -4.228 1.00 0.61 H new ATOM 0 HE3 TRP A 95 7.296 -0.866 -9.310 1.00 0.58 H new ATOM 0 HZ2 TRP A 95 3.611 -1.966 -6.143 1.00 0.80 H new ATOM 0 HZ3 TRP A 95 5.058 -1.479 -10.170 1.00 0.74 H new ATOM 0 HH2 TRP A 95 3.215 -2.030 -8.602 1.00 0.86 H new ATOM 1597 N ASN A 96 12.574 -1.361 -7.227 1.00 0.78 N ATOM 1598 CA ASN A 96 13.860 -1.228 -7.928 1.00 0.81 C ATOM 1599 C ASN A 96 14.086 -2.406 -8.889 1.00 0.71 C ATOM 1600 O ASN A 96 13.640 -3.518 -8.611 1.00 0.73 O ATOM 1601 CB ASN A 96 15.014 -1.122 -6.901 1.00 1.05 C ATOM 1602 CG ASN A 96 15.781 0.193 -7.032 1.00 1.26 C ATOM 1603 OD1 ASN A 96 15.298 1.251 -6.650 1.00 1.81 O ATOM 1604 ND2 ASN A 96 16.983 0.187 -7.583 1.00 2.07 N ATOM 0 H ASN A 96 12.290 -2.333 -7.102 1.00 0.78 H new ATOM 0 HA ASN A 96 13.839 -0.315 -8.524 1.00 0.81 H new ATOM 0 HB2 ASN A 96 14.610 -1.206 -5.892 1.00 1.05 H new ATOM 0 HB3 ASN A 96 15.701 -1.957 -7.040 1.00 1.05 H new ATOM 0 HD21 ASN A 96 17.501 1.060 -7.687 1.00 2.07 H new ATOM 0 HD22 ASN A 96 17.393 -0.690 -7.904 1.00 2.07 H new ATOM 1611 N ASP A 97 14.835 -2.190 -9.976 1.00 0.66 N ATOM 1612 CA ASP A 97 15.262 -3.252 -10.908 1.00 0.58 C ATOM 1613 C ASP A 97 16.055 -4.366 -10.196 1.00 0.59 C ATOM 1614 O ASP A 97 15.984 -5.530 -10.580 1.00 0.57 O ATOM 1615 CB ASP A 97 16.146 -2.640 -12.007 1.00 0.58 C ATOM 1616 CG ASP A 97 15.363 -1.764 -12.995 1.00 1.12 C ATOM 1617 OD1 ASP A 97 15.117 -0.576 -12.677 1.00 1.91 O ATOM 1618 OD2 ASP A 97 15.024 -2.267 -14.092 1.00 2.19 O ATOM 0 H ASP A 97 15.168 -1.263 -10.241 1.00 0.66 H new ATOM 0 HA ASP A 97 14.362 -3.696 -11.334 1.00 0.58 H new ATOM 0 HB2 ASP A 97 16.930 -2.041 -11.543 1.00 0.58 H new ATOM 0 HB3 ASP A 97 16.640 -3.442 -12.555 1.00 0.58 H new ATOM 1623 N ASP A 98 16.789 -3.997 -9.143 1.00 0.63 N ATOM 1624 CA ASP A 98 17.579 -4.879 -8.282 1.00 0.65 C ATOM 1625 C ASP A 98 16.697 -5.720 -7.346 1.00 0.67 C ATOM 1626 O ASP A 98 16.882 -6.931 -7.221 1.00 0.70 O ATOM 1627 CB ASP A 98 18.511 -4.006 -7.430 1.00 0.71 C ATOM 1628 CG ASP A 98 19.338 -3.019 -8.265 1.00 1.43 C ATOM 1629 OD1 ASP A 98 20.458 -3.377 -8.700 1.00 2.07 O ATOM 1630 OD2 ASP A 98 18.843 -1.882 -8.468 1.00 2.72 O ATOM 0 H ASP A 98 16.851 -3.021 -8.853 1.00 0.63 H new ATOM 0 HA ASP A 98 18.137 -5.567 -8.917 1.00 0.65 H new ATOM 0 HB2 ASP A 98 17.917 -3.451 -6.704 1.00 0.71 H new ATOM 0 HB3 ASP A 98 19.185 -4.649 -6.864 1.00 0.71 H new ATOM 1635 N LEU A 99 15.709 -5.082 -6.707 1.00 0.67 N ATOM 1636 CA LEU A 99 14.768 -5.727 -5.786 1.00 0.73 C ATOM 1637 C LEU A 99 13.786 -6.637 -6.537 1.00 0.64 C ATOM 1638 O LEU A 99 13.365 -7.667 -6.008 1.00 0.73 O ATOM 1639 CB LEU A 99 14.091 -4.626 -4.946 1.00 0.90 C ATOM 1640 CG LEU A 99 13.441 -5.172 -3.655 1.00 1.11 C ATOM 1641 CD1 LEU A 99 13.826 -4.307 -2.447 1.00 2.28 C ATOM 1642 CD2 LEU A 99 11.914 -5.240 -3.783 1.00 2.03 C ATOM 0 H LEU A 99 15.539 -4.083 -6.819 1.00 0.67 H new ATOM 0 HA LEU A 99 15.290 -6.397 -5.103 1.00 0.73 H new ATOM 0 HB2 LEU A 99 14.831 -3.870 -4.683 1.00 0.90 H new ATOM 0 HB3 LEU A 99 13.330 -4.131 -5.549 1.00 0.90 H new ATOM 0 HG LEU A 99 13.817 -6.184 -3.502 1.00 1.11 H new ATOM 0 HD11 LEU A 99 13.358 -4.708 -1.548 1.00 2.28 H new ATOM 0 HD12 LEU A 99 14.909 -4.313 -2.326 1.00 2.28 H new ATOM 0 HD13 LEU A 99 13.485 -3.284 -2.608 1.00 2.28 H new ATOM 0 HD21 LEU A 99 11.488 -5.628 -2.858 1.00 2.03 H new ATOM 0 HD22 LEU A 99 11.520 -4.242 -3.973 1.00 2.03 H new ATOM 0 HD23 LEU A 99 11.647 -5.899 -4.610 1.00 2.03 H new ATOM 1654 N PHE A 100 13.499 -6.304 -7.799 1.00 0.58 N ATOM 1655 CA PHE A 100 12.748 -7.120 -8.749 1.00 0.57 C ATOM 1656 C PHE A 100 13.663 -7.903 -9.716 1.00 0.50 C ATOM 1657 O PHE A 100 13.224 -8.311 -10.790 1.00 0.47 O ATOM 1658 CB PHE A 100 11.740 -6.228 -9.500 1.00 0.67 C ATOM 1659 CG PHE A 100 10.654 -5.517 -8.701 1.00 0.65 C ATOM 1660 CD1 PHE A 100 10.386 -5.809 -7.346 1.00 1.73 C ATOM 1661 CD2 PHE A 100 9.847 -4.576 -9.371 1.00 1.32 C ATOM 1662 CE1 PHE A 100 9.330 -5.165 -6.677 1.00 1.69 C ATOM 1663 CE2 PHE A 100 8.781 -3.946 -8.708 1.00 1.41 C ATOM 1664 CZ PHE A 100 8.523 -4.238 -7.357 1.00 0.77 C ATOM 0 H PHE A 100 13.799 -5.416 -8.202 1.00 0.58 H new ATOM 0 HA PHE A 100 12.202 -7.881 -8.191 1.00 0.57 H new ATOM 0 HB2 PHE A 100 12.307 -5.467 -10.036 1.00 0.67 H new ATOM 0 HB3 PHE A 100 11.247 -6.846 -10.251 1.00 0.67 H new ATOM 0 HD1 PHE A 100 10.995 -6.530 -6.821 1.00 1.73 H new ATOM 0 HD2 PHE A 100 10.050 -4.337 -10.404 1.00 1.32 H new ATOM 0 HE1 PHE A 100 9.139 -5.384 -5.637 1.00 1.69 H new ATOM 0 HE2 PHE A 100 8.160 -3.238 -9.236 1.00 1.41 H new ATOM 0 HZ PHE A 100 7.707 -3.751 -6.844 1.00 0.77 H new ATOM 1674 N SER A 101 14.933 -8.143 -9.367 1.00 0.57 N ATOM 1675 CA SER A 101 15.865 -8.890 -10.234 1.00 0.60 C ATOM 1676 C SER A 101 15.492 -10.386 -10.344 1.00 0.66 C ATOM 1677 O SER A 101 15.662 -10.997 -11.401 1.00 0.81 O ATOM 1678 CB SER A 101 17.307 -8.689 -9.743 1.00 0.72 C ATOM 1679 OG SER A 101 18.253 -9.302 -10.611 1.00 0.80 O ATOM 0 H SER A 101 15.344 -7.831 -8.487 1.00 0.57 H new ATOM 0 HA SER A 101 15.786 -8.490 -11.245 1.00 0.60 H new ATOM 0 HB2 SER A 101 17.520 -7.623 -9.669 1.00 0.72 H new ATOM 0 HB3 SER A 101 17.411 -9.105 -8.741 1.00 0.72 H new ATOM 0 HG SER A 101 19.158 -9.152 -10.267 1.00 0.80 H new ATOM 1685 N GLU A 102 14.892 -10.964 -9.293 1.00 0.63 N ATOM 1686 CA GLU A 102 14.164 -12.239 -9.379 1.00 0.67 C ATOM 1687 C GLU A 102 12.759 -12.024 -9.977 1.00 0.60 C ATOM 1688 O GLU A 102 12.344 -12.748 -10.883 1.00 0.69 O ATOM 1689 CB GLU A 102 14.097 -12.887 -7.984 1.00 0.74 C ATOM 1690 CG GLU A 102 13.444 -14.279 -8.018 1.00 2.22 C ATOM 1691 CD GLU A 102 13.531 -15.040 -6.680 1.00 2.37 C ATOM 1692 OE1 GLU A 102 13.802 -14.432 -5.618 1.00 2.21 O ATOM 1693 OE2 GLU A 102 13.317 -16.276 -6.688 1.00 3.47 O ATOM 0 H GLU A 102 14.898 -10.559 -8.357 1.00 0.63 H new ATOM 0 HA GLU A 102 14.696 -12.917 -10.047 1.00 0.67 H new ATOM 0 HB2 GLU A 102 15.104 -12.970 -7.576 1.00 0.74 H new ATOM 0 HB3 GLU A 102 13.533 -12.240 -7.312 1.00 0.74 H new ATOM 0 HG2 GLU A 102 12.396 -14.172 -8.297 1.00 2.22 H new ATOM 0 HG3 GLU A 102 13.921 -14.875 -8.796 1.00 2.22 H new ATOM 1700 N ALA A 103 12.037 -10.992 -9.518 1.00 0.49 N ATOM 1701 CA ALA A 103 10.676 -10.646 -9.945 1.00 0.45 C ATOM 1702 C ALA A 103 10.611 -9.921 -11.312 1.00 0.41 C ATOM 1703 O ALA A 103 9.806 -9.014 -11.512 1.00 0.41 O ATOM 1704 CB ALA A 103 9.995 -9.877 -8.799 1.00 0.42 C ATOM 0 H ALA A 103 12.400 -10.351 -8.812 1.00 0.49 H new ATOM 0 HA ALA A 103 10.121 -11.564 -10.137 1.00 0.45 H new ATOM 0 HB1 ALA A 103 8.980 -9.609 -9.093 1.00 0.42 H new ATOM 0 HB2 ALA A 103 9.960 -10.506 -7.909 1.00 0.42 H new ATOM 0 HB3 ALA A 103 10.561 -8.971 -8.582 1.00 0.42 H new ATOM 1710 N GLN A 104 11.434 -10.329 -12.280 1.00 0.44 N ATOM 1711 CA GLN A 104 11.449 -9.763 -13.634 1.00 0.46 C ATOM 1712 C GLN A 104 10.126 -9.907 -14.419 1.00 0.48 C ATOM 1713 O GLN A 104 9.781 -8.944 -15.111 1.00 0.48 O ATOM 1714 CB GLN A 104 12.625 -10.346 -14.436 1.00 0.54 C ATOM 1715 CG GLN A 104 13.945 -9.637 -14.083 1.00 0.71 C ATOM 1716 CD GLN A 104 15.170 -10.195 -14.817 1.00 0.79 C ATOM 1717 OE1 GLN A 104 15.125 -11.187 -15.540 1.00 0.95 O ATOM 1718 NE2 GLN A 104 16.321 -9.564 -14.684 1.00 1.84 N ATOM 0 H GLN A 104 12.119 -11.072 -12.145 1.00 0.44 H new ATOM 0 HA GLN A 104 11.577 -8.689 -13.500 1.00 0.46 H new ATOM 0 HB2 GLN A 104 12.716 -11.413 -14.230 1.00 0.54 H new ATOM 0 HB3 GLN A 104 12.428 -10.243 -15.503 1.00 0.54 H new ATOM 0 HG2 GLN A 104 13.848 -8.576 -14.314 1.00 0.71 H new ATOM 0 HG3 GLN A 104 14.111 -9.716 -13.009 1.00 0.71 H new ATOM 0 HE21 GLN A 104 16.384 -8.738 -14.089 1.00 1.84 H new ATOM 0 HE22 GLN A 104 17.148 -9.902 -15.176 1.00 1.84 H new ATOM 1727 N PRO A 105 9.355 -11.019 -14.346 1.00 0.54 N ATOM 1728 CA PRO A 105 8.100 -11.124 -15.087 1.00 0.58 C ATOM 1729 C PRO A 105 6.961 -10.335 -14.415 1.00 0.55 C ATOM 1730 O PRO A 105 6.007 -9.956 -15.093 1.00 0.64 O ATOM 1731 CB PRO A 105 7.830 -12.623 -15.218 1.00 0.68 C ATOM 1732 CG PRO A 105 8.540 -13.265 -14.025 1.00 0.66 C ATOM 1733 CD PRO A 105 9.597 -12.248 -13.593 1.00 0.62 C ATOM 0 HA PRO A 105 8.166 -10.668 -16.075 1.00 0.58 H new ATOM 0 HB2 PRO A 105 6.761 -12.833 -15.199 1.00 0.68 H new ATOM 0 HB3 PRO A 105 8.215 -13.011 -16.161 1.00 0.68 H new ATOM 0 HG2 PRO A 105 7.840 -13.473 -13.216 1.00 0.66 H new ATOM 0 HG3 PRO A 105 8.997 -14.214 -14.303 1.00 0.66 H new ATOM 0 HD2 PRO A 105 9.533 -12.060 -12.521 1.00 0.62 H new ATOM 0 HD3 PRO A 105 10.599 -12.628 -13.791 1.00 0.62 H new ATOM 1741 N LEU A 106 7.094 -10.014 -13.119 1.00 0.48 N ATOM 1742 CA LEU A 106 6.273 -9.024 -12.417 1.00 0.43 C ATOM 1743 C LEU A 106 6.610 -7.632 -12.950 1.00 0.39 C ATOM 1744 O LEU A 106 5.730 -6.918 -13.420 1.00 0.38 O ATOM 1745 CB LEU A 106 6.491 -9.211 -10.895 1.00 0.42 C ATOM 1746 CG LEU A 106 6.229 -8.063 -9.893 1.00 0.73 C ATOM 1747 CD1 LEU A 106 7.295 -6.959 -9.856 1.00 3.44 C ATOM 1748 CD2 LEU A 106 4.842 -7.434 -10.048 1.00 2.08 C ATOM 0 H LEU A 106 7.794 -10.449 -12.518 1.00 0.48 H new ATOM 0 HA LEU A 106 5.206 -9.157 -12.596 1.00 0.43 H new ATOM 0 HB2 LEU A 106 5.866 -10.049 -10.586 1.00 0.42 H new ATOM 0 HB3 LEU A 106 7.528 -9.519 -10.759 1.00 0.42 H new ATOM 0 HG LEU A 106 6.285 -8.576 -8.933 1.00 0.73 H new ATOM 0 HD11 LEU A 106 7.013 -6.205 -9.121 1.00 3.44 H new ATOM 0 HD12 LEU A 106 8.257 -7.391 -9.582 1.00 3.44 H new ATOM 0 HD13 LEU A 106 7.373 -6.495 -10.839 1.00 3.44 H new ATOM 0 HD21 LEU A 106 4.721 -6.635 -9.316 1.00 2.08 H new ATOM 0 HD22 LEU A 106 4.738 -7.024 -11.053 1.00 2.08 H new ATOM 0 HD23 LEU A 106 4.078 -8.194 -9.886 1.00 2.08 H new ATOM 1760 N TRP A 107 7.894 -7.276 -12.943 1.00 0.40 N ATOM 1761 CA TRP A 107 8.395 -5.960 -13.334 1.00 0.43 C ATOM 1762 C TRP A 107 8.042 -5.623 -14.792 1.00 0.48 C ATOM 1763 O TRP A 107 7.581 -4.517 -15.077 1.00 0.53 O ATOM 1764 CB TRP A 107 9.906 -5.965 -13.072 1.00 0.50 C ATOM 1765 CG TRP A 107 10.709 -4.752 -13.436 1.00 0.55 C ATOM 1766 CD1 TRP A 107 12.014 -4.797 -13.788 1.00 0.67 C ATOM 1767 CD2 TRP A 107 10.338 -3.333 -13.477 1.00 0.95 C ATOM 1768 NE1 TRP A 107 12.470 -3.527 -14.063 1.00 0.98 N ATOM 1769 CE2 TRP A 107 11.476 -2.590 -13.917 1.00 1.12 C ATOM 1770 CE3 TRP A 107 9.171 -2.584 -13.194 1.00 1.39 C ATOM 1771 CZ2 TRP A 107 11.452 -1.202 -14.107 1.00 1.55 C ATOM 1772 CZ3 TRP A 107 9.133 -1.190 -13.385 1.00 1.81 C ATOM 1773 CH2 TRP A 107 10.266 -0.500 -13.852 1.00 1.85 C ATOM 0 H TRP A 107 8.636 -7.915 -12.657 1.00 0.40 H new ATOM 0 HA TRP A 107 7.920 -5.173 -12.748 1.00 0.43 H new ATOM 0 HB2 TRP A 107 10.055 -6.152 -12.009 1.00 0.50 H new ATOM 0 HB3 TRP A 107 10.330 -6.814 -13.608 1.00 0.50 H new ATOM 0 HD1 TRP A 107 12.610 -5.696 -13.845 1.00 0.67 H new ATOM 0 HE1 TRP A 107 13.427 -3.309 -14.341 1.00 0.98 H new ATOM 0 HE3 TRP A 107 8.293 -3.092 -12.824 1.00 1.39 H new ATOM 0 HZ2 TRP A 107 12.335 -0.680 -14.445 1.00 1.55 H new ATOM 0 HZ3 TRP A 107 8.225 -0.645 -13.171 1.00 1.81 H new ATOM 0 HH2 TRP A 107 10.222 0.567 -14.014 1.00 1.85 H new ATOM 1784 N GLU A 108 8.175 -6.591 -15.703 1.00 0.52 N ATOM 1785 CA GLU A 108 7.832 -6.418 -17.116 1.00 0.59 C ATOM 1786 C GLU A 108 6.318 -6.263 -17.328 1.00 0.59 C ATOM 1787 O GLU A 108 5.880 -5.389 -18.077 1.00 0.60 O ATOM 1788 CB GLU A 108 8.415 -7.590 -17.927 1.00 0.65 C ATOM 1789 CG GLU A 108 8.084 -7.514 -19.428 1.00 0.84 C ATOM 1790 CD GLU A 108 9.312 -7.777 -20.312 1.00 1.46 C ATOM 1791 OE1 GLU A 108 9.711 -8.954 -20.476 1.00 2.61 O ATOM 1792 OE2 GLU A 108 9.866 -6.794 -20.863 1.00 2.14 O ATOM 0 H GLU A 108 8.526 -7.522 -15.479 1.00 0.52 H new ATOM 0 HA GLU A 108 8.276 -5.489 -17.474 1.00 0.59 H new ATOM 0 HB2 GLU A 108 9.498 -7.607 -17.801 1.00 0.65 H new ATOM 0 HB3 GLU A 108 8.032 -8.528 -17.524 1.00 0.65 H new ATOM 0 HG2 GLU A 108 7.308 -8.242 -19.663 1.00 0.84 H new ATOM 0 HG3 GLU A 108 7.678 -6.529 -19.658 1.00 0.84 H new ATOM 1799 N ALA A 109 5.496 -7.075 -16.663 1.00 0.60 N ATOM 1800 CA ALA A 109 4.043 -6.939 -16.739 1.00 0.65 C ATOM 1801 C ALA A 109 3.541 -5.618 -16.147 1.00 0.63 C ATOM 1802 O ALA A 109 2.723 -4.927 -16.754 1.00 0.68 O ATOM 1803 CB ALA A 109 3.409 -8.152 -16.075 1.00 0.71 C ATOM 0 H ALA A 109 5.814 -7.836 -16.064 1.00 0.60 H new ATOM 0 HA ALA A 109 3.744 -6.905 -17.787 1.00 0.65 H new ATOM 0 HB1 ALA A 109 2.323 -8.067 -16.123 1.00 0.71 H new ATOM 0 HB2 ALA A 109 3.725 -9.057 -16.593 1.00 0.71 H new ATOM 0 HB3 ALA A 109 3.724 -8.202 -15.033 1.00 0.71 H new ATOM 1809 N ALA A 110 4.051 -5.245 -14.976 1.00 0.56 N ATOM 1810 CA ALA A 110 3.675 -4.021 -14.283 1.00 0.58 C ATOM 1811 C ALA A 110 4.051 -2.777 -15.100 1.00 0.66 C ATOM 1812 O ALA A 110 3.193 -1.914 -15.316 1.00 0.74 O ATOM 1813 CB ALA A 110 4.355 -4.068 -12.903 1.00 0.54 C ATOM 0 H ALA A 110 4.749 -5.796 -14.476 1.00 0.56 H new ATOM 0 HA ALA A 110 2.595 -3.951 -14.155 1.00 0.58 H new ATOM 0 HB1 ALA A 110 4.103 -3.168 -12.342 1.00 0.54 H new ATOM 0 HB2 ALA A 110 4.009 -4.945 -12.356 1.00 0.54 H new ATOM 0 HB3 ALA A 110 5.436 -4.124 -13.032 1.00 0.54 H new ATOM 1819 N ARG A 111 5.283 -2.704 -15.627 1.00 0.71 N ATOM 1820 CA ARG A 111 5.711 -1.574 -16.472 1.00 0.89 C ATOM 1821 C ARG A 111 4.889 -1.480 -17.764 1.00 0.89 C ATOM 1822 O ARG A 111 4.589 -0.369 -18.206 1.00 0.94 O ATOM 1823 CB ARG A 111 7.247 -1.554 -16.677 1.00 1.23 C ATOM 1824 CG ARG A 111 7.794 -2.470 -17.777 1.00 1.15 C ATOM 1825 CD ARG A 111 7.866 -1.805 -19.167 1.00 1.78 C ATOM 1826 NE ARG A 111 7.671 -2.765 -20.272 1.00 3.00 N ATOM 1827 CZ ARG A 111 8.418 -3.824 -20.568 1.00 3.58 C ATOM 1828 NH1 ARG A 111 9.498 -4.157 -19.897 1.00 3.24 N ATOM 1829 NH2 ARG A 111 8.097 -4.606 -21.572 1.00 5.19 N ATOM 0 H ARG A 111 6.002 -3.413 -15.484 1.00 0.71 H new ATOM 0 HA ARG A 111 5.491 -0.650 -15.937 1.00 0.89 H new ATOM 0 HB2 ARG A 111 7.550 -0.531 -16.901 1.00 1.23 H new ATOM 0 HB3 ARG A 111 7.722 -1.828 -15.735 1.00 1.23 H new ATOM 0 HG2 ARG A 111 8.792 -2.806 -17.494 1.00 1.15 H new ATOM 0 HG3 ARG A 111 7.165 -3.358 -17.842 1.00 1.15 H new ATOM 0 HD2 ARG A 111 7.107 -1.025 -19.231 1.00 1.78 H new ATOM 0 HD3 ARG A 111 8.834 -1.318 -19.282 1.00 1.78 H new ATOM 0 HE ARG A 111 6.869 -2.596 -20.879 1.00 3.00 H new ATOM 0 HH11 ARG A 111 9.801 -3.591 -19.104 1.00 3.24 H new ATOM 0 HH12 ARG A 111 10.033 -4.981 -20.169 1.00 3.24 H new ATOM 0 HH21 ARG A 111 7.269 -4.403 -22.132 1.00 5.19 H new ATOM 0 HH22 ARG A 111 8.676 -5.417 -21.792 1.00 5.19 H new ATOM 1843 N ALA A 112 4.496 -2.616 -18.357 1.00 0.84 N ATOM 1844 CA ALA A 112 3.624 -2.661 -19.536 1.00 0.89 C ATOM 1845 C ALA A 112 2.214 -2.115 -19.237 1.00 0.88 C ATOM 1846 O ALA A 112 1.670 -1.327 -20.012 1.00 0.96 O ATOM 1847 CB ALA A 112 3.564 -4.114 -20.027 1.00 0.88 C ATOM 0 H ALA A 112 4.779 -3.539 -18.027 1.00 0.84 H new ATOM 0 HA ALA A 112 4.036 -2.017 -20.313 1.00 0.89 H new ATOM 0 HB1 ALA A 112 2.921 -4.175 -20.905 1.00 0.88 H new ATOM 0 HB2 ALA A 112 4.567 -4.452 -20.288 1.00 0.88 H new ATOM 0 HB3 ALA A 112 3.162 -4.749 -19.237 1.00 0.88 H new ATOM 1853 N HIS A 113 1.639 -2.506 -18.098 1.00 0.79 N ATOM 1854 CA HIS A 113 0.325 -2.039 -17.632 1.00 0.79 C ATOM 1855 C HIS A 113 0.303 -0.588 -17.085 1.00 0.84 C ATOM 1856 O HIS A 113 -0.781 -0.036 -16.886 1.00 0.86 O ATOM 1857 CB HIS A 113 -0.217 -3.082 -16.635 1.00 0.68 C ATOM 1858 CG HIS A 113 -0.648 -4.345 -17.347 1.00 0.69 C ATOM 1859 ND1 HIS A 113 0.072 -5.512 -17.444 1.00 0.69 N ATOM 1860 CD2 HIS A 113 -1.823 -4.548 -18.025 1.00 0.76 C ATOM 1861 CE1 HIS A 113 -0.642 -6.394 -18.162 1.00 0.76 C ATOM 1862 NE2 HIS A 113 -1.811 -5.849 -18.545 1.00 0.81 N ATOM 0 H HIS A 113 2.079 -3.168 -17.459 1.00 0.79 H new ATOM 0 HA HIS A 113 -0.340 -1.965 -18.492 1.00 0.79 H new ATOM 0 HB2 HIS A 113 0.551 -3.320 -15.900 1.00 0.68 H new ATOM 0 HB3 HIS A 113 -1.062 -2.663 -16.089 1.00 0.68 H new ATOM 0 HD1 HIS A 113 0.993 -5.680 -17.039 1.00 0.69 H new ATOM 0 HD2 HIS A 113 -2.620 -3.829 -18.139 1.00 0.76 H new ATOM 0 HE1 HIS A 113 -0.323 -7.398 -18.398 1.00 0.76 H new ATOM 1870 N GLY A 114 1.471 0.047 -16.888 1.00 0.86 N ATOM 1871 CA GLY A 114 1.627 1.478 -16.562 1.00 0.91 C ATOM 1872 C GLY A 114 2.222 1.775 -15.182 1.00 0.88 C ATOM 1873 O GLY A 114 2.480 2.939 -14.868 1.00 0.92 O ATOM 0 H GLY A 114 2.366 -0.438 -16.953 1.00 0.86 H new ATOM 0 HA2 GLY A 114 2.261 1.939 -17.319 1.00 0.91 H new ATOM 0 HA3 GLY A 114 0.650 1.957 -16.629 1.00 0.91 H new ATOM 1877 N LEU A 115 2.492 0.742 -14.378 1.00 0.83 N ATOM 1878 CA LEU A 115 3.007 0.808 -13.009 1.00 0.81 C ATOM 1879 C LEU A 115 4.541 1.027 -13.027 1.00 0.87 C ATOM 1880 O LEU A 115 5.312 0.188 -12.557 1.00 1.24 O ATOM 1881 CB LEU A 115 2.604 -0.485 -12.257 1.00 0.74 C ATOM 1882 CG LEU A 115 1.104 -0.801 -12.026 1.00 0.72 C ATOM 1883 CD1 LEU A 115 0.272 -1.059 -13.294 1.00 0.91 C ATOM 1884 CD2 LEU A 115 1.015 -2.069 -11.159 1.00 1.04 C ATOM 0 H LEU A 115 2.348 -0.220 -14.685 1.00 0.83 H new ATOM 0 HA LEU A 115 2.573 1.656 -12.479 1.00 0.81 H new ATOM 0 HB2 LEU A 115 3.034 -1.326 -12.801 1.00 0.74 H new ATOM 0 HB3 LEU A 115 3.086 -0.457 -11.280 1.00 0.74 H new ATOM 0 HG LEU A 115 0.686 0.092 -11.562 1.00 0.72 H new ATOM 0 HD11 LEU A 115 -0.760 -1.269 -13.015 1.00 0.91 H new ATOM 0 HD12 LEU A 115 0.302 -0.178 -13.935 1.00 0.91 H new ATOM 0 HD13 LEU A 115 0.684 -1.913 -13.832 1.00 0.91 H new ATOM 0 HD21 LEU A 115 -0.032 -2.315 -10.980 1.00 1.04 H new ATOM 0 HD22 LEU A 115 1.499 -2.898 -11.675 1.00 1.04 H new ATOM 0 HD23 LEU A 115 1.514 -1.894 -10.206 1.00 1.04 H new ATOM 1896 N ARG A 116 4.997 2.130 -13.640 1.00 0.75 N ATOM 1897 CA ARG A 116 6.412 2.383 -13.972 1.00 0.76 C ATOM 1898 C ARG A 116 7.356 2.406 -12.763 1.00 0.71 C ATOM 1899 O ARG A 116 8.493 1.964 -12.897 1.00 0.75 O ATOM 1900 CB ARG A 116 6.553 3.708 -14.737 1.00 0.92 C ATOM 1901 CG ARG A 116 6.092 3.645 -16.202 1.00 1.05 C ATOM 1902 CD ARG A 116 6.954 2.661 -17.004 1.00 1.53 C ATOM 1903 NE ARG A 116 7.191 3.135 -18.380 1.00 2.25 N ATOM 1904 CZ ARG A 116 8.354 3.164 -19.026 1.00 3.70 C ATOM 1905 NH1 ARG A 116 9.470 2.697 -18.502 1.00 4.91 N ATOM 1906 NH2 ARG A 116 8.412 3.677 -20.236 1.00 4.39 N ATOM 0 H ARG A 116 4.380 2.890 -13.926 1.00 0.75 H new ATOM 0 HA ARG A 116 6.714 1.537 -14.589 1.00 0.76 H new ATOM 0 HB2 ARG A 116 5.977 4.476 -14.220 1.00 0.92 H new ATOM 0 HB3 ARG A 116 7.597 4.020 -14.710 1.00 0.92 H new ATOM 0 HG2 ARG A 116 5.047 3.339 -16.246 1.00 1.05 H new ATOM 0 HG3 ARG A 116 6.153 4.637 -16.650 1.00 1.05 H new ATOM 0 HD2 ARG A 116 7.909 2.520 -16.499 1.00 1.53 H new ATOM 0 HD3 ARG A 116 6.463 1.689 -17.034 1.00 1.53 H new ATOM 0 HE ARG A 116 6.377 3.477 -18.891 1.00 2.25 H new ATOM 0 HH11 ARG A 116 9.464 2.293 -17.565 1.00 4.91 H new ATOM 0 HH12 ARG A 116 10.340 2.739 -19.033 1.00 4.91 H new ATOM 0 HH21 ARG A 116 7.569 4.049 -20.673 1.00 4.39 H new ATOM 0 HH22 ARG A 116 9.300 3.703 -20.737 1.00 4.39 H new ATOM 1920 N ARG A 117 6.905 2.888 -11.605 1.00 0.71 N ATOM 1921 CA ARG A 117 7.531 2.701 -10.285 1.00 0.65 C ATOM 1922 C ARG A 117 6.421 2.600 -9.230 1.00 0.65 C ATOM 1923 O ARG A 117 5.247 2.838 -9.527 1.00 0.76 O ATOM 1924 CB ARG A 117 8.511 3.852 -9.940 1.00 0.86 C ATOM 1925 CG ARG A 117 9.741 4.008 -10.855 1.00 0.76 C ATOM 1926 CD ARG A 117 10.691 2.798 -10.907 1.00 0.90 C ATOM 1927 NE ARG A 117 11.561 2.692 -9.717 1.00 1.50 N ATOM 1928 CZ ARG A 117 12.817 3.118 -9.619 1.00 1.92 C ATOM 1929 NH1 ARG A 117 13.396 3.836 -10.559 1.00 2.58 N ATOM 1930 NH2 ARG A 117 13.520 2.809 -8.553 1.00 2.46 N ATOM 0 H ARG A 117 6.053 3.447 -11.553 1.00 0.71 H new ATOM 0 HA ARG A 117 8.120 1.784 -10.301 1.00 0.65 H new ATOM 0 HB2 ARG A 117 7.955 4.789 -9.954 1.00 0.86 H new ATOM 0 HB3 ARG A 117 8.862 3.706 -8.919 1.00 0.86 H new ATOM 0 HG2 ARG A 117 9.394 4.218 -11.867 1.00 0.76 H new ATOM 0 HG3 ARG A 117 10.308 4.878 -10.525 1.00 0.76 H new ATOM 0 HD2 ARG A 117 10.102 1.885 -11.002 1.00 0.90 H new ATOM 0 HD3 ARG A 117 11.313 2.870 -11.799 1.00 0.90 H new ATOM 0 HE ARG A 117 11.159 2.249 -8.891 1.00 1.50 H new ATOM 0 HH11 ARG A 117 12.878 4.085 -11.402 1.00 2.58 H new ATOM 0 HH12 ARG A 117 14.362 4.143 -10.444 1.00 2.58 H new ATOM 0 HH21 ARG A 117 13.102 2.248 -7.811 1.00 2.46 H new ATOM 0 HH22 ARG A 117 14.484 3.130 -8.467 1.00 2.46 H new ATOM 1944 N GLY A 118 6.781 2.274 -7.990 1.00 0.64 N ATOM 1945 CA GLY A 118 5.846 2.258 -6.865 1.00 0.67 C ATOM 1946 C GLY A 118 6.496 2.547 -5.520 1.00 0.64 C ATOM 1947 O GLY A 118 7.721 2.554 -5.384 1.00 0.73 O ATOM 0 H GLY A 118 7.733 2.012 -7.736 1.00 0.64 H new ATOM 0 HA2 GLY A 118 5.063 2.995 -7.045 1.00 0.67 H new ATOM 0 HA3 GLY A 118 5.362 1.283 -6.821 1.00 0.67 H new ATOM 1951 N VAL A 119 5.640 2.795 -4.535 1.00 0.57 N ATOM 1952 CA VAL A 119 5.991 3.055 -3.131 1.00 0.59 C ATOM 1953 C VAL A 119 5.151 2.129 -2.248 1.00 0.56 C ATOM 1954 O VAL A 119 3.965 1.954 -2.524 1.00 0.59 O ATOM 1955 CB VAL A 119 5.790 4.543 -2.749 1.00 0.68 C ATOM 1956 CG1 VAL A 119 6.716 5.448 -3.583 1.00 0.83 C ATOM 1957 CG2 VAL A 119 4.353 5.067 -2.924 1.00 0.74 C ATOM 0 H VAL A 119 4.633 2.823 -4.694 1.00 0.57 H new ATOM 0 HA VAL A 119 7.050 2.849 -2.979 1.00 0.59 H new ATOM 0 HB VAL A 119 6.029 4.581 -1.686 1.00 0.68 H new ATOM 0 HG11 VAL A 119 6.559 6.489 -3.299 1.00 0.83 H new ATOM 0 HG12 VAL A 119 7.755 5.174 -3.399 1.00 0.83 H new ATOM 0 HG13 VAL A 119 6.490 5.322 -4.642 1.00 0.83 H new ATOM 0 HG21 VAL A 119 4.310 6.116 -2.632 1.00 0.74 H new ATOM 0 HG22 VAL A 119 4.054 4.968 -3.968 1.00 0.74 H new ATOM 0 HG23 VAL A 119 3.676 4.488 -2.296 1.00 0.74 H new ATOM 1967 N THR A 120 5.760 1.517 -1.224 1.00 0.54 N ATOM 1968 CA THR A 120 5.184 0.389 -0.470 1.00 0.51 C ATOM 1969 C THR A 120 5.430 0.564 1.025 1.00 0.57 C ATOM 1970 O THR A 120 6.490 1.033 1.443 1.00 0.61 O ATOM 1971 CB THR A 120 5.790 -0.917 -1.009 1.00 0.44 C ATOM 1972 OG1 THR A 120 5.291 -1.126 -2.310 1.00 0.48 O ATOM 1973 CG2 THR A 120 5.453 -2.171 -0.208 1.00 0.52 C ATOM 0 H THR A 120 6.682 1.794 -0.888 1.00 0.54 H new ATOM 0 HA THR A 120 4.103 0.354 -0.605 1.00 0.51 H new ATOM 0 HB THR A 120 6.870 -0.782 -0.956 1.00 0.44 H new ATOM 0 HG1 THR A 120 5.245 -2.088 -2.492 1.00 0.48 H new ATOM 0 HG21 THR A 120 5.928 -3.036 -0.670 1.00 0.52 H new ATOM 0 HG22 THR A 120 5.818 -2.059 0.813 1.00 0.52 H new ATOM 0 HG23 THR A 120 4.373 -2.314 -0.194 1.00 0.52 H new ATOM 1981 N GLN A 121 4.451 0.191 1.849 1.00 0.58 N ATOM 1982 CA GLN A 121 4.524 0.344 3.303 1.00 0.56 C ATOM 1983 C GLN A 121 3.872 -0.811 4.081 1.00 0.59 C ATOM 1984 O GLN A 121 3.064 -1.581 3.560 1.00 0.67 O ATOM 1985 CB GLN A 121 3.925 1.704 3.721 1.00 0.54 C ATOM 1986 CG GLN A 121 4.961 2.825 3.945 1.00 1.12 C ATOM 1987 CD GLN A 121 5.937 2.552 5.096 1.00 2.01 C ATOM 1988 OE1 GLN A 121 5.878 1.532 5.762 1.00 2.80 O ATOM 1989 NE2 GLN A 121 6.887 3.427 5.358 1.00 2.86 N ATOM 0 H GLN A 121 3.579 -0.228 1.525 1.00 0.58 H new ATOM 0 HA GLN A 121 5.581 0.313 3.568 1.00 0.56 H new ATOM 0 HB2 GLN A 121 3.221 2.027 2.954 1.00 0.54 H new ATOM 0 HB3 GLN A 121 3.354 1.567 4.639 1.00 0.54 H new ATOM 0 HG2 GLN A 121 5.530 2.969 3.026 1.00 1.12 H new ATOM 0 HG3 GLN A 121 4.434 3.758 4.143 1.00 1.12 H new ATOM 0 HE21 GLN A 121 6.953 4.286 4.812 1.00 2.86 H new ATOM 0 HE22 GLN A 121 7.556 3.245 6.106 1.00 2.86 H new ATOM 1998 N TYR A 122 4.253 -0.899 5.358 1.00 0.64 N ATOM 1999 CA TYR A 122 4.039 -2.011 6.290 1.00 0.63 C ATOM 2000 C TYR A 122 4.057 -1.500 7.746 1.00 0.68 C ATOM 2001 O TYR A 122 4.820 -0.591 8.077 1.00 0.75 O ATOM 2002 CB TYR A 122 5.165 -3.037 6.046 1.00 0.61 C ATOM 2003 CG TYR A 122 5.509 -3.991 7.179 1.00 0.62 C ATOM 2004 CD1 TYR A 122 6.371 -3.567 8.211 1.00 1.68 C ATOM 2005 CD2 TYR A 122 5.011 -5.306 7.189 1.00 1.73 C ATOM 2006 CE1 TYR A 122 6.698 -4.435 9.269 1.00 1.66 C ATOM 2007 CE2 TYR A 122 5.321 -6.180 8.249 1.00 1.87 C ATOM 2008 CZ TYR A 122 6.166 -5.745 9.297 1.00 0.88 C ATOM 2009 OH TYR A 122 6.478 -6.581 10.328 1.00 1.05 O ATOM 0 H TYR A 122 4.760 -0.134 5.803 1.00 0.64 H new ATOM 0 HA TYR A 122 3.067 -2.476 6.126 1.00 0.63 H new ATOM 0 HB2 TYR A 122 4.892 -3.634 5.176 1.00 0.61 H new ATOM 0 HB3 TYR A 122 6.069 -2.487 5.784 1.00 0.61 H new ATOM 0 HD1 TYR A 122 6.783 -2.569 8.189 1.00 1.68 H new ATOM 0 HD2 TYR A 122 4.386 -5.648 6.378 1.00 1.73 H new ATOM 0 HE1 TYR A 122 7.355 -4.101 10.059 1.00 1.66 H new ATOM 0 HE2 TYR A 122 4.914 -7.180 8.262 1.00 1.87 H new ATOM 0 HH TYR A 122 6.031 -7.443 10.197 1.00 1.05 H new ATOM 2019 N LEU A 123 3.257 -2.109 8.629 1.00 0.72 N ATOM 2020 CA LEU A 123 3.196 -1.790 10.063 1.00 0.75 C ATOM 2021 C LEU A 123 2.714 -3.023 10.848 1.00 0.80 C ATOM 2022 O LEU A 123 1.871 -3.768 10.356 1.00 0.85 O ATOM 2023 CB LEU A 123 2.263 -0.570 10.280 1.00 0.79 C ATOM 2024 CG LEU A 123 2.784 0.585 11.163 1.00 0.74 C ATOM 2025 CD1 LEU A 123 3.094 0.137 12.597 1.00 1.96 C ATOM 2026 CD2 LEU A 123 4.009 1.288 10.559 1.00 2.31 C ATOM 0 H LEU A 123 2.617 -2.857 8.361 1.00 0.72 H new ATOM 0 HA LEU A 123 4.187 -1.527 10.432 1.00 0.75 H new ATOM 0 HB2 LEU A 123 2.016 -0.159 9.301 1.00 0.79 H new ATOM 0 HB3 LEU A 123 1.333 -0.933 10.717 1.00 0.79 H new ATOM 0 HG LEU A 123 1.966 1.304 11.200 1.00 0.74 H new ATOM 0 HD11 LEU A 123 3.457 0.988 13.174 1.00 1.96 H new ATOM 0 HD12 LEU A 123 2.188 -0.255 13.059 1.00 1.96 H new ATOM 0 HD13 LEU A 123 3.858 -0.640 12.578 1.00 1.96 H new ATOM 0 HD21 LEU A 123 4.332 2.091 11.222 1.00 2.31 H new ATOM 0 HD22 LEU A 123 4.819 0.569 10.439 1.00 2.31 H new ATOM 0 HD23 LEU A 123 3.747 1.704 9.586 1.00 2.31 H new ATOM 2038 N MET A 124 3.226 -3.225 12.065 1.00 0.87 N ATOM 2039 CA MET A 124 2.858 -4.314 12.991 1.00 0.92 C ATOM 2040 C MET A 124 2.334 -3.693 14.304 1.00 0.97 C ATOM 2041 O MET A 124 2.852 -2.662 14.743 1.00 0.94 O ATOM 2042 CB MET A 124 4.118 -5.170 13.258 1.00 1.00 C ATOM 2043 CG MET A 124 3.900 -6.667 13.547 1.00 1.16 C ATOM 2044 SD MET A 124 2.708 -7.148 14.825 1.00 1.67 S ATOM 2045 CE MET A 124 1.289 -7.614 13.794 1.00 1.15 C ATOM 0 H MET A 124 3.940 -2.610 12.455 1.00 0.87 H new ATOM 0 HA MET A 124 2.078 -4.945 12.565 1.00 0.92 H new ATOM 0 HB2 MET A 124 4.775 -5.085 12.392 1.00 1.00 H new ATOM 0 HB3 MET A 124 4.649 -4.736 14.105 1.00 1.00 H new ATOM 0 HG2 MET A 124 3.593 -7.141 12.615 1.00 1.16 H new ATOM 0 HG3 MET A 124 4.865 -7.094 13.819 1.00 1.16 H new ATOM 0 HE1 MET A 124 0.466 -7.936 14.432 1.00 1.15 H new ATOM 0 HE2 MET A 124 0.974 -6.756 13.200 1.00 1.15 H new ATOM 0 HE3 MET A 124 1.574 -8.430 13.130 1.00 1.15 H new ATOM 2055 N LEU A 125 1.325 -4.297 14.939 1.00 1.14 N ATOM 2056 CA LEU A 125 0.676 -3.808 16.165 1.00 1.24 C ATOM 2057 C LEU A 125 0.125 -4.970 17.027 1.00 1.08 C ATOM 2058 O LEU A 125 -0.245 -6.006 16.466 1.00 1.08 O ATOM 2059 CB LEU A 125 -0.384 -2.727 15.824 1.00 1.67 C ATOM 2060 CG LEU A 125 -1.609 -3.149 14.980 1.00 1.29 C ATOM 2061 CD1 LEU A 125 -2.648 -2.015 15.004 1.00 1.96 C ATOM 2062 CD2 LEU A 125 -1.243 -3.462 13.523 1.00 2.48 C ATOM 0 H LEU A 125 0.921 -5.172 14.603 1.00 1.14 H new ATOM 0 HA LEU A 125 1.427 -3.323 16.789 1.00 1.24 H new ATOM 0 HB2 LEU A 125 -0.752 -2.313 16.763 1.00 1.67 H new ATOM 0 HB3 LEU A 125 0.122 -1.919 15.296 1.00 1.67 H new ATOM 0 HG LEU A 125 -2.011 -4.062 15.419 1.00 1.29 H new ATOM 0 HD11 LEU A 125 -3.516 -2.304 14.411 1.00 1.96 H new ATOM 0 HD12 LEU A 125 -2.957 -1.827 16.032 1.00 1.96 H new ATOM 0 HD13 LEU A 125 -2.208 -1.110 14.586 1.00 1.96 H new ATOM 0 HD21 LEU A 125 -2.140 -3.753 12.977 1.00 2.48 H new ATOM 0 HD22 LEU A 125 -0.807 -2.577 13.059 1.00 2.48 H new ATOM 0 HD23 LEU A 125 -0.522 -4.279 13.496 1.00 2.48 H new ATOM 2074 N PRO A 126 0.039 -4.815 18.370 1.00 1.24 N ATOM 2075 CA PRO A 126 -0.305 -5.889 19.312 1.00 1.48 C ATOM 2076 C PRO A 126 -1.736 -6.446 19.188 1.00 1.48 C ATOM 2077 O PRO A 126 -2.026 -7.479 19.791 1.00 1.77 O ATOM 2078 CB PRO A 126 -0.017 -5.331 20.713 1.00 1.82 C ATOM 2079 CG PRO A 126 -0.139 -3.822 20.533 1.00 1.61 C ATOM 2080 CD PRO A 126 0.406 -3.617 19.123 1.00 1.40 C ATOM 0 HA PRO A 126 0.302 -6.765 19.084 1.00 1.48 H new ATOM 0 HB2 PRO A 126 -0.730 -5.706 21.448 1.00 1.82 H new ATOM 0 HB3 PRO A 126 0.977 -5.614 21.060 1.00 1.82 H new ATOM 0 HG2 PRO A 126 -1.171 -3.484 20.623 1.00 1.61 H new ATOM 0 HG3 PRO A 126 0.441 -3.276 21.277 1.00 1.61 H new ATOM 0 HD2 PRO A 126 -0.020 -2.724 18.666 1.00 1.40 H new ATOM 0 HD3 PRO A 126 1.488 -3.482 19.139 1.00 1.40 H new ATOM 2088 N GLU A 127 -2.630 -5.785 18.438 1.00 1.39 N ATOM 2089 CA GLU A 127 -4.021 -6.200 18.176 1.00 1.70 C ATOM 2090 C GLU A 127 -4.206 -7.686 17.797 1.00 1.80 C ATOM 2091 O GLU A 127 -5.214 -8.271 18.193 1.00 2.75 O ATOM 2092 CB GLU A 127 -4.580 -5.346 17.020 1.00 2.43 C ATOM 2093 CG GLU A 127 -4.943 -3.911 17.431 1.00 2.78 C ATOM 2094 CD GLU A 127 -6.197 -3.817 18.320 1.00 2.87 C ATOM 2095 OE1 GLU A 127 -7.014 -4.765 18.379 1.00 4.07 O ATOM 2096 OE2 GLU A 127 -6.431 -2.741 18.914 1.00 3.26 O ATOM 0 H GLU A 127 -2.395 -4.907 17.976 1.00 1.39 H new ATOM 0 HA GLU A 127 -4.551 -6.054 19.117 1.00 1.70 H new ATOM 0 HB2 GLU A 127 -3.843 -5.309 16.218 1.00 2.43 H new ATOM 0 HB3 GLU A 127 -5.467 -5.834 16.616 1.00 2.43 H new ATOM 0 HG2 GLU A 127 -4.099 -3.471 17.962 1.00 2.78 H new ATOM 0 HG3 GLU A 127 -5.101 -3.315 16.532 1.00 2.78 H new ATOM 2103 N ARG A 128 -3.253 -8.260 17.037 1.00 1.61 N ATOM 2104 CA ARG A 128 -3.180 -9.611 16.418 1.00 2.16 C ATOM 2105 C ARG A 128 -2.511 -9.524 15.037 1.00 2.02 C ATOM 2106 O ARG A 128 -1.612 -10.297 14.706 1.00 3.14 O ATOM 2107 CB ARG A 128 -4.554 -10.285 16.154 1.00 2.90 C ATOM 2108 CG ARG A 128 -5.124 -11.254 17.206 1.00 3.87 C ATOM 2109 CD ARG A 128 -6.338 -11.908 16.531 1.00 4.64 C ATOM 2110 NE ARG A 128 -7.214 -12.680 17.425 1.00 5.86 N ATOM 2111 CZ ARG A 128 -8.357 -13.240 17.031 1.00 7.18 C ATOM 2112 NH1 ARG A 128 -8.758 -13.190 15.771 1.00 7.86 N ATOM 2113 NH2 ARG A 128 -9.124 -13.859 17.907 1.00 8.38 N ATOM 0 H ARG A 128 -2.412 -7.729 16.812 1.00 1.61 H new ATOM 0 HA ARG A 128 -2.624 -10.203 17.145 1.00 2.16 H new ATOM 0 HB2 ARG A 128 -5.287 -9.492 16.006 1.00 2.90 H new ATOM 0 HB3 ARG A 128 -4.478 -10.829 15.212 1.00 2.90 H new ATOM 0 HG2 ARG A 128 -4.385 -12.000 17.496 1.00 3.87 H new ATOM 0 HG3 ARG A 128 -5.415 -10.724 18.113 1.00 3.87 H new ATOM 0 HD2 ARG A 128 -6.931 -11.128 16.053 1.00 4.64 H new ATOM 0 HD3 ARG A 128 -5.981 -12.568 15.740 1.00 4.64 H new ATOM 0 HE ARG A 128 -6.932 -12.793 18.399 1.00 5.86 H new ATOM 0 HH11 ARG A 128 -8.187 -12.714 15.073 1.00 7.86 H new ATOM 0 HH12 ARG A 128 -9.638 -13.628 15.498 1.00 7.86 H new ATOM 0 HH21 ARG A 128 -8.842 -13.909 18.886 1.00 8.38 H new ATOM 0 HH22 ARG A 128 -9.999 -14.288 17.606 1.00 8.38 H new ATOM 2127 N ALA A 129 -3.062 -8.638 14.206 1.00 1.55 N ATOM 2128 CA ALA A 129 -3.049 -8.687 12.744 1.00 1.41 C ATOM 2129 C ALA A 129 -2.508 -7.382 12.136 1.00 0.98 C ATOM 2130 O ALA A 129 -2.193 -6.447 12.871 1.00 1.42 O ATOM 2131 CB ALA A 129 -4.489 -8.988 12.324 1.00 2.27 C ATOM 0 H ALA A 129 -3.558 -7.819 14.557 1.00 1.55 H new ATOM 0 HA ALA A 129 -2.375 -9.459 12.373 1.00 1.41 H new ATOM 0 HB1 ALA A 129 -4.548 -9.038 11.237 1.00 2.27 H new ATOM 0 HB2 ALA A 129 -4.800 -9.943 12.749 1.00 2.27 H new ATOM 0 HB3 ALA A 129 -5.147 -8.198 12.687 1.00 2.27 H new ATOM 2137 N LEU A 130 -2.385 -7.320 10.806 1.00 0.77 N ATOM 2138 CA LEU A 130 -1.804 -6.179 10.088 1.00 1.13 C ATOM 2139 C LEU A 130 -2.234 -6.086 8.614 1.00 0.81 C ATOM 2140 O LEU A 130 -2.809 -7.006 8.029 1.00 0.63 O ATOM 2141 CB LEU A 130 -0.268 -6.105 10.283 1.00 1.92 C ATOM 2142 CG LEU A 130 0.547 -7.414 10.267 1.00 1.56 C ATOM 2143 CD1 LEU A 130 0.283 -8.278 9.043 1.00 2.37 C ATOM 2144 CD2 LEU A 130 2.052 -7.109 10.284 1.00 2.16 C ATOM 0 H LEU A 130 -2.691 -8.072 10.188 1.00 0.77 H new ATOM 0 HA LEU A 130 -2.226 -5.285 10.547 1.00 1.13 H new ATOM 0 HB2 LEU A 130 0.133 -5.457 9.503 1.00 1.92 H new ATOM 0 HB3 LEU A 130 -0.080 -5.611 11.236 1.00 1.92 H new ATOM 0 HG LEU A 130 0.231 -7.959 11.157 1.00 1.56 H new ATOM 0 HD11 LEU A 130 0.890 -9.182 9.098 1.00 2.37 H new ATOM 0 HD12 LEU A 130 -0.772 -8.550 9.011 1.00 2.37 H new ATOM 0 HD13 LEU A 130 0.542 -7.722 8.142 1.00 2.37 H new ATOM 0 HD21 LEU A 130 2.613 -8.044 10.272 1.00 2.16 H new ATOM 0 HD22 LEU A 130 2.313 -6.518 9.406 1.00 2.16 H new ATOM 0 HD23 LEU A 130 2.299 -6.549 11.186 1.00 2.16 H new ATOM 2156 N GLY A 131 -1.962 -4.920 8.032 1.00 1.04 N ATOM 2157 CA GLY A 131 -2.312 -4.511 6.675 1.00 0.94 C ATOM 2158 C GLY A 131 -1.265 -3.573 6.076 1.00 1.08 C ATOM 2159 O GLY A 131 -0.495 -2.921 6.783 1.00 1.39 O ATOM 0 H GLY A 131 -1.457 -4.187 8.530 1.00 1.04 H new ATOM 0 HA2 GLY A 131 -2.412 -5.394 6.044 1.00 0.94 H new ATOM 0 HA3 GLY A 131 -3.282 -4.014 6.684 1.00 0.94 H new ATOM 2163 N PHE A 132 -1.251 -3.536 4.749 1.00 0.90 N ATOM 2164 CA PHE A 132 -0.251 -2.901 3.890 1.00 0.87 C ATOM 2165 C PHE A 132 -0.949 -2.035 2.830 1.00 0.81 C ATOM 2166 O PHE A 132 -2.092 -2.309 2.449 1.00 0.86 O ATOM 2167 CB PHE A 132 0.587 -3.992 3.182 1.00 0.93 C ATOM 2168 CG PHE A 132 1.045 -5.191 4.007 1.00 1.36 C ATOM 2169 CD1 PHE A 132 1.499 -5.032 5.331 1.00 2.78 C ATOM 2170 CD2 PHE A 132 1.007 -6.485 3.444 1.00 1.97 C ATOM 2171 CE1 PHE A 132 1.844 -6.154 6.103 1.00 3.58 C ATOM 2172 CE2 PHE A 132 1.392 -7.605 4.204 1.00 2.73 C ATOM 2173 CZ PHE A 132 1.802 -7.441 5.539 1.00 3.25 C ATOM 0 H PHE A 132 -1.990 -3.980 4.203 1.00 0.90 H new ATOM 0 HA PHE A 132 0.399 -2.274 4.501 1.00 0.87 H new ATOM 0 HB2 PHE A 132 0.004 -4.368 2.341 1.00 0.93 H new ATOM 0 HB3 PHE A 132 1.474 -3.514 2.766 1.00 0.93 H new ATOM 0 HD1 PHE A 132 1.582 -4.042 5.755 1.00 2.78 H new ATOM 0 HD2 PHE A 132 0.680 -6.616 2.423 1.00 1.97 H new ATOM 0 HE1 PHE A 132 2.142 -6.027 7.133 1.00 3.58 H new ATOM 0 HE2 PHE A 132 1.373 -8.590 3.762 1.00 2.73 H new ATOM 0 HZ PHE A 132 2.084 -8.301 6.129 1.00 3.25 H new ATOM 2183 N LEU A 133 -0.243 -1.048 2.273 1.00 0.71 N ATOM 2184 CA LEU A 133 -0.676 -0.374 1.043 1.00 0.57 C ATOM 2185 C LEU A 133 0.511 0.013 0.164 1.00 0.56 C ATOM 2186 O LEU A 133 1.631 0.213 0.643 1.00 0.67 O ATOM 2187 CB LEU A 133 -1.688 0.772 1.320 1.00 0.65 C ATOM 2188 CG LEU A 133 -1.210 2.194 1.697 1.00 0.91 C ATOM 2189 CD1 LEU A 133 -0.266 2.205 2.902 1.00 2.19 C ATOM 2190 CD2 LEU A 133 -0.606 2.989 0.528 1.00 2.51 C ATOM 0 H LEU A 133 0.635 -0.696 2.655 1.00 0.71 H new ATOM 0 HA LEU A 133 -1.243 -1.091 0.449 1.00 0.57 H new ATOM 0 HB2 LEU A 133 -2.307 0.871 0.429 1.00 0.65 H new ATOM 0 HB3 LEU A 133 -2.340 0.432 2.125 1.00 0.65 H new ATOM 0 HG LEU A 133 -2.127 2.711 1.981 1.00 0.91 H new ATOM 0 HD11 LEU A 133 0.035 3.230 3.119 1.00 2.19 H new ATOM 0 HD12 LEU A 133 -0.777 1.786 3.769 1.00 2.19 H new ATOM 0 HD13 LEU A 133 0.617 1.607 2.678 1.00 2.19 H new ATOM 0 HD21 LEU A 133 -0.297 3.974 0.879 1.00 2.51 H new ATOM 0 HD22 LEU A 133 0.259 2.456 0.134 1.00 2.51 H new ATOM 0 HD23 LEU A 133 -1.352 3.102 -0.259 1.00 2.51 H new ATOM 2202 N SER A 134 0.235 0.134 -1.128 1.00 0.49 N ATOM 2203 CA SER A 134 1.195 0.592 -2.127 1.00 0.52 C ATOM 2204 C SER A 134 0.517 1.509 -3.147 1.00 0.51 C ATOM 2205 O SER A 134 -0.581 1.214 -3.624 1.00 0.50 O ATOM 2206 CB SER A 134 1.826 -0.592 -2.878 1.00 0.53 C ATOM 2207 OG SER A 134 2.543 -1.465 -2.021 1.00 1.63 O ATOM 0 H SER A 134 -0.680 -0.088 -1.520 1.00 0.49 H new ATOM 0 HA SER A 134 1.974 1.139 -1.596 1.00 0.52 H new ATOM 0 HB2 SER A 134 1.042 -1.153 -3.388 1.00 0.53 H new ATOM 0 HB3 SER A 134 2.498 -0.212 -3.647 1.00 0.53 H new ATOM 0 HG SER A 134 3.505 -1.338 -2.155 1.00 1.63 H new ATOM 2213 N PHE A 135 1.183 2.598 -3.534 1.00 0.58 N ATOM 2214 CA PHE A 135 0.824 3.343 -4.739 1.00 0.56 C ATOM 2215 C PHE A 135 1.774 2.957 -5.877 1.00 0.53 C ATOM 2216 O PHE A 135 2.987 2.863 -5.677 1.00 0.53 O ATOM 2217 CB PHE A 135 0.856 4.857 -4.490 1.00 0.58 C ATOM 2218 CG PHE A 135 0.076 5.399 -3.306 1.00 0.62 C ATOM 2219 CD1 PHE A 135 -1.224 4.930 -3.027 1.00 2.09 C ATOM 2220 CD2 PHE A 135 0.628 6.437 -2.522 1.00 1.98 C ATOM 2221 CE1 PHE A 135 -1.969 5.492 -1.975 1.00 2.18 C ATOM 2222 CE2 PHE A 135 -0.120 6.997 -1.471 1.00 2.02 C ATOM 2223 CZ PHE A 135 -1.420 6.530 -1.204 1.00 1.00 C ATOM 0 H PHE A 135 1.979 2.985 -3.026 1.00 0.58 H new ATOM 0 HA PHE A 135 -0.197 3.084 -5.020 1.00 0.56 H new ATOM 0 HB2 PHE A 135 1.898 5.154 -4.368 1.00 0.58 H new ATOM 0 HB3 PHE A 135 0.487 5.351 -5.388 1.00 0.58 H new ATOM 0 HD1 PHE A 135 -1.649 4.136 -3.623 1.00 2.09 H new ATOM 0 HD2 PHE A 135 1.624 6.800 -2.730 1.00 1.98 H new ATOM 0 HE1 PHE A 135 -2.962 5.126 -1.760 1.00 2.18 H new ATOM 0 HE2 PHE A 135 0.304 7.786 -0.868 1.00 2.02 H new ATOM 0 HZ PHE A 135 -1.997 6.971 -0.404 1.00 1.00 H new ATOM 2233 N SER A 136 1.226 2.783 -7.076 1.00 0.54 N ATOM 2234 CA SER A 136 1.977 2.706 -8.334 1.00 0.53 C ATOM 2235 C SER A 136 1.854 4.036 -9.084 1.00 0.58 C ATOM 2236 O SER A 136 0.806 4.679 -9.028 1.00 0.88 O ATOM 2237 CB SER A 136 1.420 1.591 -9.225 1.00 0.63 C ATOM 2238 OG SER A 136 1.617 0.322 -8.629 1.00 2.21 O ATOM 0 H SER A 136 0.219 2.689 -7.208 1.00 0.54 H new ATOM 0 HA SER A 136 3.021 2.495 -8.101 1.00 0.53 H new ATOM 0 HB2 SER A 136 0.356 1.755 -9.397 1.00 0.63 H new ATOM 0 HB3 SER A 136 1.909 1.620 -10.199 1.00 0.63 H new ATOM 0 HG SER A 136 2.558 0.061 -8.718 1.00 2.21 H new ATOM 2244 N ARG A 137 2.904 4.452 -9.798 1.00 0.64 N ATOM 2245 CA ARG A 137 2.952 5.727 -10.521 1.00 0.74 C ATOM 2246 C ARG A 137 3.658 5.569 -11.872 1.00 0.81 C ATOM 2247 O ARG A 137 4.608 4.796 -12.001 1.00 0.86 O ATOM 2248 CB ARG A 137 3.575 6.798 -9.606 1.00 0.95 C ATOM 2249 CG ARG A 137 3.673 8.184 -10.246 1.00 2.08 C ATOM 2250 CD ARG A 137 4.138 9.264 -9.260 1.00 2.47 C ATOM 2251 NE ARG A 137 4.187 10.572 -9.940 1.00 3.52 N ATOM 2252 CZ ARG A 137 3.251 11.517 -9.931 1.00 4.73 C ATOM 2253 NH1 ARG A 137 2.211 11.471 -9.127 1.00 5.37 N ATOM 2254 NH2 ARG A 137 3.339 12.545 -10.746 1.00 5.92 N ATOM 0 H ARG A 137 3.759 3.903 -9.892 1.00 0.64 H new ATOM 0 HA ARG A 137 1.945 6.062 -10.770 1.00 0.74 H new ATOM 0 HB2 ARG A 137 2.982 6.871 -8.694 1.00 0.95 H new ATOM 0 HB3 ARG A 137 4.573 6.474 -9.312 1.00 0.95 H new ATOM 0 HG2 ARG A 137 4.366 8.143 -11.086 1.00 2.08 H new ATOM 0 HG3 ARG A 137 2.699 8.462 -10.650 1.00 2.08 H new ATOM 0 HD2 ARG A 137 3.457 9.311 -8.410 1.00 2.47 H new ATOM 0 HD3 ARG A 137 5.123 9.011 -8.867 1.00 2.47 H new ATOM 0 HE ARG A 137 5.031 10.774 -10.476 1.00 3.52 H new ATOM 0 HH11 ARG A 137 2.101 10.690 -8.480 1.00 5.37 H new ATOM 0 HH12 ARG A 137 1.515 12.216 -9.151 1.00 5.37 H new ATOM 0 HH21 ARG A 137 4.127 12.620 -11.389 1.00 5.92 H new ATOM 0 HH22 ARG A 137 2.619 13.267 -10.736 1.00 5.92 H new ATOM 2268 N CYS A 138 3.188 6.305 -12.884 1.00 0.84 N ATOM 2269 CA CYS A 138 3.670 6.229 -14.272 1.00 0.88 C ATOM 2270 C CYS A 138 4.976 7.016 -14.537 1.00 0.88 C ATOM 2271 O CYS A 138 5.537 6.940 -15.627 1.00 0.91 O ATOM 2272 CB CYS A 138 2.518 6.663 -15.198 1.00 0.90 C ATOM 2273 SG CYS A 138 2.634 5.758 -16.770 1.00 2.55 S ATOM 0 H CYS A 138 2.442 6.989 -12.760 1.00 0.84 H new ATOM 0 HA CYS A 138 3.954 5.198 -14.482 1.00 0.88 H new ATOM 0 HB2 CYS A 138 1.558 6.464 -14.721 1.00 0.90 H new ATOM 0 HB3 CYS A 138 2.567 7.737 -15.379 1.00 0.90 H new ATOM 0 HG CYS A 138 2.657 4.480 -16.534 1.00 2.55 H new ATOM 2279 N SER A 139 5.507 7.745 -13.555 1.00 0.91 N ATOM 2280 CA SER A 139 6.872 8.283 -13.621 1.00 0.90 C ATOM 2281 C SER A 139 7.914 7.155 -13.475 1.00 0.76 C ATOM 2282 O SER A 139 7.937 6.441 -12.472 1.00 0.79 O ATOM 2283 CB SER A 139 7.085 9.379 -12.560 1.00 1.08 C ATOM 2284 OG SER A 139 6.706 8.969 -11.255 1.00 2.21 O ATOM 0 H SER A 139 5.010 7.980 -12.696 1.00 0.91 H new ATOM 0 HA SER A 139 7.009 8.740 -14.601 1.00 0.90 H new ATOM 0 HB2 SER A 139 8.135 9.670 -12.553 1.00 1.08 H new ATOM 0 HB3 SER A 139 6.511 10.263 -12.838 1.00 1.08 H new ATOM 0 HG SER A 139 6.925 8.022 -11.133 1.00 2.21 H new ATOM 2290 N ALA A 140 8.805 7.010 -14.462 1.00 0.75 N ATOM 2291 CA ALA A 140 9.921 6.046 -14.465 1.00 0.73 C ATOM 2292 C ALA A 140 11.165 6.541 -13.686 1.00 0.75 C ATOM 2293 O ALA A 140 12.237 5.932 -13.748 1.00 0.82 O ATOM 2294 CB ALA A 140 10.248 5.746 -15.935 1.00 0.76 C ATOM 0 H ALA A 140 8.772 7.576 -15.310 1.00 0.75 H new ATOM 0 HA ALA A 140 9.619 5.141 -13.938 1.00 0.73 H new ATOM 0 HB1 ALA A 140 11.072 5.034 -15.987 1.00 0.76 H new ATOM 0 HB2 ALA A 140 9.371 5.322 -16.424 1.00 0.76 H new ATOM 0 HB3 ALA A 140 10.534 6.669 -16.440 1.00 0.76 H new ATOM 2300 N ARG A 141 11.027 7.684 -13.002 1.00 0.76 N ATOM 2301 CA ARG A 141 12.091 8.470 -12.374 1.00 0.80 C ATOM 2302 C ARG A 141 12.717 7.746 -11.171 1.00 0.82 C ATOM 2303 O ARG A 141 12.130 6.829 -10.592 1.00 0.93 O ATOM 2304 CB ARG A 141 11.511 9.833 -11.935 1.00 0.90 C ATOM 2305 CG ARG A 141 11.398 10.907 -13.034 1.00 1.00 C ATOM 2306 CD ARG A 141 10.558 10.521 -14.259 1.00 1.28 C ATOM 2307 NE ARG A 141 10.177 11.713 -15.040 1.00 2.07 N ATOM 2308 CZ ARG A 141 10.774 12.196 -16.125 1.00 2.82 C ATOM 2309 NH1 ARG A 141 11.829 11.620 -16.664 1.00 3.66 N ATOM 2310 NH2 ARG A 141 10.304 13.288 -16.685 1.00 3.47 N ATOM 0 H ARG A 141 10.110 8.109 -12.865 1.00 0.76 H new ATOM 0 HA ARG A 141 12.887 8.614 -13.105 1.00 0.80 H new ATOM 0 HB2 ARG A 141 10.519 9.665 -11.516 1.00 0.90 H new ATOM 0 HB3 ARG A 141 12.133 10.228 -11.132 1.00 0.90 H new ATOM 0 HG2 ARG A 141 10.971 11.808 -12.593 1.00 1.00 H new ATOM 0 HG3 ARG A 141 12.403 11.162 -13.371 1.00 1.00 H new ATOM 0 HD2 ARG A 141 11.123 9.835 -14.890 1.00 1.28 H new ATOM 0 HD3 ARG A 141 9.661 9.992 -13.937 1.00 1.28 H new ATOM 0 HE ARG A 141 9.360 12.226 -14.709 1.00 2.07 H new ATOM 0 HH11 ARG A 141 12.216 10.773 -16.248 1.00 3.66 H new ATOM 0 HH12 ARG A 141 12.259 12.021 -17.497 1.00 3.66 H new ATOM 0 HH21 ARG A 141 9.490 13.755 -16.287 1.00 3.47 H new ATOM 0 HH22 ARG A 141 10.754 13.668 -17.518 1.00 3.47 H new ATOM 2324 N GLU A 142 13.904 8.203 -10.768 1.00 0.85 N ATOM 2325 CA GLU A 142 14.563 7.783 -9.526 1.00 0.88 C ATOM 2326 C GLU A 142 13.837 8.354 -8.292 1.00 0.80 C ATOM 2327 O GLU A 142 13.319 9.474 -8.315 1.00 0.80 O ATOM 2328 CB GLU A 142 16.051 8.180 -9.559 1.00 1.00 C ATOM 2329 CG GLU A 142 16.846 7.625 -8.368 1.00 1.94 C ATOM 2330 CD GLU A 142 18.359 7.814 -8.569 1.00 2.56 C ATOM 2331 OE1 GLU A 142 18.881 8.919 -8.286 1.00 3.56 O ATOM 2332 OE2 GLU A 142 19.039 6.856 -9.008 1.00 2.86 O ATOM 0 H GLU A 142 14.444 8.885 -11.301 1.00 0.85 H new ATOM 0 HA GLU A 142 14.509 6.697 -9.446 1.00 0.88 H new ATOM 0 HB2 GLU A 142 16.497 7.820 -10.486 1.00 1.00 H new ATOM 0 HB3 GLU A 142 16.131 9.267 -9.568 1.00 1.00 H new ATOM 0 HG2 GLU A 142 16.533 8.128 -7.453 1.00 1.94 H new ATOM 0 HG3 GLU A 142 16.623 6.566 -8.241 1.00 1.94 H new ATOM 2339 N ILE A 143 13.802 7.576 -7.210 1.00 0.85 N ATOM 2340 CA ILE A 143 13.167 7.907 -5.923 1.00 0.87 C ATOM 2341 C ILE A 143 14.255 8.330 -4.902 1.00 1.08 C ATOM 2342 O ILE A 143 15.083 7.490 -4.529 1.00 1.28 O ATOM 2343 CB ILE A 143 12.289 6.687 -5.507 1.00 0.85 C ATOM 2344 CG1 ILE A 143 10.821 6.877 -5.961 1.00 1.19 C ATOM 2345 CG2 ILE A 143 12.347 6.321 -4.020 1.00 0.96 C ATOM 2346 CD1 ILE A 143 9.953 7.701 -4.996 1.00 2.06 C ATOM 0 H ILE A 143 14.235 6.652 -7.201 1.00 0.85 H new ATOM 0 HA ILE A 143 12.500 8.767 -5.983 1.00 0.87 H new ATOM 0 HB ILE A 143 12.731 5.839 -6.030 1.00 0.85 H new ATOM 0 HG12 ILE A 143 10.816 7.362 -6.937 1.00 1.19 H new ATOM 0 HG13 ILE A 143 10.365 5.896 -6.091 1.00 1.19 H new ATOM 0 HG21 ILE A 143 11.704 5.461 -3.831 1.00 0.96 H new ATOM 0 HG22 ILE A 143 13.373 6.074 -3.746 1.00 0.96 H new ATOM 0 HG23 ILE A 143 12.006 7.167 -3.423 1.00 0.96 H new ATOM 0 HD11 ILE A 143 8.942 7.782 -5.395 1.00 2.06 H new ATOM 0 HD12 ILE A 143 9.921 7.208 -4.024 1.00 2.06 H new ATOM 0 HD13 ILE A 143 10.380 8.698 -4.884 1.00 2.06 H new ATOM 2358 N PRO A 144 14.295 9.604 -4.447 1.00 1.13 N ATOM 2359 CA PRO A 144 15.199 10.053 -3.390 1.00 1.33 C ATOM 2360 C PRO A 144 14.485 9.989 -2.036 1.00 1.71 C ATOM 2361 O PRO A 144 13.673 10.861 -1.741 1.00 3.75 O ATOM 2362 CB PRO A 144 15.541 11.497 -3.772 1.00 1.29 C ATOM 2363 CG PRO A 144 14.242 12.010 -4.397 1.00 1.25 C ATOM 2364 CD PRO A 144 13.634 10.761 -5.050 1.00 1.09 C ATOM 0 HA PRO A 144 16.093 9.437 -3.298 1.00 1.33 H new ATOM 0 HB2 PRO A 144 15.829 12.086 -2.902 1.00 1.29 H new ATOM 0 HB3 PRO A 144 16.372 11.541 -4.476 1.00 1.29 H new ATOM 0 HG2 PRO A 144 13.576 12.433 -3.645 1.00 1.25 H new ATOM 0 HG3 PRO A 144 14.433 12.793 -5.131 1.00 1.25 H new ATOM 0 HD2 PRO A 144 12.558 10.722 -4.882 1.00 1.09 H new ATOM 0 HD3 PRO A 144 13.788 10.775 -6.129 1.00 1.09 H new ATOM 2372 N ILE A 145 14.747 8.974 -1.200 1.00 0.94 N ATOM 2373 CA ILE A 145 14.140 8.836 0.154 1.00 0.88 C ATOM 2374 C ILE A 145 12.592 8.975 0.125 1.00 0.84 C ATOM 2375 O ILE A 145 11.963 9.547 1.008 1.00 1.40 O ATOM 2376 CB ILE A 145 14.928 9.720 1.169 1.00 1.08 C ATOM 2377 CG1 ILE A 145 14.902 9.219 2.636 1.00 1.35 C ATOM 2378 CG2 ILE A 145 14.679 11.240 1.060 1.00 1.34 C ATOM 2379 CD1 ILE A 145 13.611 9.384 3.450 1.00 1.70 C ATOM 0 H ILE A 145 15.388 8.216 -1.435 1.00 0.94 H new ATOM 0 HA ILE A 145 14.253 7.819 0.529 1.00 0.88 H new ATOM 0 HB ILE A 145 15.955 9.578 0.831 1.00 1.08 H new ATOM 0 HG12 ILE A 145 15.154 8.158 2.627 1.00 1.35 H new ATOM 0 HG13 ILE A 145 15.699 9.731 3.174 1.00 1.35 H new ATOM 0 HG21 ILE A 145 15.274 11.761 1.810 1.00 1.34 H new ATOM 0 HG22 ILE A 145 14.964 11.585 0.066 1.00 1.34 H new ATOM 0 HG23 ILE A 145 13.622 11.448 1.227 1.00 1.34 H new ATOM 0 HD11 ILE A 145 13.760 8.984 4.453 1.00 1.70 H new ATOM 0 HD12 ILE A 145 13.355 10.441 3.516 1.00 1.70 H new ATOM 0 HD13 ILE A 145 12.801 8.844 2.960 1.00 1.70 H new ATOM 2391 N LEU A 146 11.992 8.516 -0.983 1.00 0.90 N ATOM 2392 CA LEU A 146 10.563 8.565 -1.370 1.00 0.85 C ATOM 2393 C LEU A 146 10.101 9.950 -1.872 1.00 0.76 C ATOM 2394 O LEU A 146 9.021 10.062 -2.441 1.00 1.16 O ATOM 2395 CB LEU A 146 9.646 8.046 -0.234 1.00 1.00 C ATOM 2396 CG LEU A 146 8.551 7.070 -0.712 1.00 0.96 C ATOM 2397 CD1 LEU A 146 9.162 5.724 -1.103 1.00 1.87 C ATOM 2398 CD2 LEU A 146 7.547 6.780 0.404 1.00 1.99 C ATOM 0 H LEU A 146 12.545 8.055 -1.706 1.00 0.90 H new ATOM 0 HA LEU A 146 10.469 7.892 -2.222 1.00 0.85 H new ATOM 0 HB2 LEU A 146 10.260 7.548 0.517 1.00 1.00 H new ATOM 0 HB3 LEU A 146 9.172 8.897 0.255 1.00 1.00 H new ATOM 0 HG LEU A 146 8.060 7.544 -1.562 1.00 0.96 H new ATOM 0 HD11 LEU A 146 8.373 5.050 -1.437 1.00 1.87 H new ATOM 0 HD12 LEU A 146 9.880 5.871 -1.910 1.00 1.87 H new ATOM 0 HD13 LEU A 146 9.669 5.290 -0.241 1.00 1.87 H new ATOM 0 HD21 LEU A 146 6.787 6.089 0.039 1.00 1.99 H new ATOM 0 HD22 LEU A 146 8.065 6.334 1.253 1.00 1.99 H new ATOM 0 HD23 LEU A 146 7.072 7.710 0.717 1.00 1.99 H new ATOM 2410 N SER A 147 10.928 10.974 -1.667 1.00 0.72 N ATOM 2411 CA SER A 147 10.617 12.393 -1.430 1.00 0.71 C ATOM 2412 C SER A 147 10.262 12.544 0.058 1.00 0.80 C ATOM 2413 O SER A 147 9.347 11.881 0.545 1.00 0.78 O ATOM 2414 CB SER A 147 9.508 12.977 -2.320 1.00 0.66 C ATOM 2415 OG SER A 147 9.827 12.850 -3.700 1.00 1.26 O ATOM 0 H SER A 147 11.936 10.820 -1.661 1.00 0.72 H new ATOM 0 HA SER A 147 11.500 12.972 -1.702 1.00 0.71 H new ATOM 0 HB2 SER A 147 8.568 12.466 -2.114 1.00 0.66 H new ATOM 0 HB3 SER A 147 9.359 14.029 -2.075 1.00 0.66 H new ATOM 0 HG SER A 147 9.102 13.229 -4.240 1.00 1.26 H new ATOM 2421 N ASP A 148 10.981 13.383 0.811 1.00 0.96 N ATOM 2422 CA ASP A 148 10.962 13.344 2.283 1.00 1.19 C ATOM 2423 C ASP A 148 9.580 13.638 2.901 1.00 1.24 C ATOM 2424 O ASP A 148 9.247 13.084 3.950 1.00 1.39 O ATOM 2425 CB ASP A 148 12.047 14.275 2.847 1.00 1.42 C ATOM 2426 CG ASP A 148 11.768 15.765 2.580 1.00 1.92 C ATOM 2427 OD1 ASP A 148 12.089 16.246 1.467 1.00 3.16 O ATOM 2428 OD2 ASP A 148 11.238 16.452 3.486 1.00 2.53 O ATOM 0 H ASP A 148 11.589 14.104 0.424 1.00 0.96 H new ATOM 0 HA ASP A 148 11.183 12.317 2.572 1.00 1.19 H new ATOM 0 HB2 ASP A 148 12.131 14.115 3.922 1.00 1.42 H new ATOM 0 HB3 ASP A 148 13.009 14.008 2.409 1.00 1.42 H new ATOM 2433 N GLU A 149 8.755 14.451 2.232 1.00 1.18 N ATOM 2434 CA GLU A 149 7.367 14.696 2.638 1.00 1.31 C ATOM 2435 C GLU A 149 6.429 13.545 2.234 1.00 1.13 C ATOM 2436 O GLU A 149 5.492 13.251 2.973 1.00 1.22 O ATOM 2437 CB GLU A 149 6.892 16.072 2.135 1.00 1.47 C ATOM 2438 CG GLU A 149 6.620 16.203 0.626 1.00 1.92 C ATOM 2439 CD GLU A 149 5.170 15.855 0.227 1.00 2.22 C ATOM 2440 OE1 GLU A 149 4.220 16.415 0.830 1.00 2.48 O ATOM 2441 OE2 GLU A 149 4.985 15.060 -0.722 1.00 3.28 O ATOM 0 H GLU A 149 9.032 14.959 1.392 1.00 1.18 H new ATOM 0 HA GLU A 149 7.331 14.723 3.727 1.00 1.31 H new ATOM 0 HB2 GLU A 149 5.978 16.332 2.669 1.00 1.47 H new ATOM 0 HB3 GLU A 149 7.643 16.812 2.410 1.00 1.47 H new ATOM 0 HG2 GLU A 149 6.839 17.224 0.313 1.00 1.92 H new ATOM 0 HG3 GLU A 149 7.304 15.550 0.084 1.00 1.92 H new ATOM 2448 N LEU A 150 6.708 12.837 1.130 1.00 0.95 N ATOM 2449 CA LEU A 150 5.963 11.643 0.718 1.00 0.80 C ATOM 2450 C LEU A 150 6.293 10.466 1.647 1.00 0.74 C ATOM 2451 O LEU A 150 5.394 9.716 2.001 1.00 0.70 O ATOM 2452 CB LEU A 150 6.272 11.294 -0.757 1.00 0.74 C ATOM 2453 CG LEU A 150 5.159 10.581 -1.569 1.00 0.69 C ATOM 2454 CD1 LEU A 150 5.778 9.864 -2.781 1.00 1.95 C ATOM 2455 CD2 LEU A 150 4.331 9.540 -0.807 1.00 2.17 C ATOM 0 H LEU A 150 7.466 13.082 0.493 1.00 0.95 H new ATOM 0 HA LEU A 150 4.895 11.849 0.796 1.00 0.80 H new ATOM 0 HB2 LEU A 150 6.528 12.218 -1.275 1.00 0.74 H new ATOM 0 HB3 LEU A 150 7.160 10.662 -0.775 1.00 0.74 H new ATOM 0 HG LEU A 150 4.478 11.387 -1.842 1.00 0.69 H new ATOM 0 HD11 LEU A 150 4.993 9.365 -3.348 1.00 1.95 H new ATOM 0 HD12 LEU A 150 6.279 10.593 -3.418 1.00 1.95 H new ATOM 0 HD13 LEU A 150 6.502 9.126 -2.436 1.00 1.95 H new ATOM 0 HD21 LEU A 150 3.585 9.109 -1.475 1.00 2.17 H new ATOM 0 HD22 LEU A 150 4.988 8.752 -0.439 1.00 2.17 H new ATOM 0 HD23 LEU A 150 3.831 10.018 0.035 1.00 2.17 H new ATOM 2467 N GLN A 151 7.543 10.306 2.095 1.00 0.77 N ATOM 2468 CA GLN A 151 7.935 9.242 3.033 1.00 0.77 C ATOM 2469 C GLN A 151 7.145 9.361 4.349 1.00 0.75 C ATOM 2470 O GLN A 151 6.614 8.370 4.856 1.00 0.72 O ATOM 2471 CB GLN A 151 9.475 9.232 3.183 1.00 0.85 C ATOM 2472 CG GLN A 151 10.085 9.653 4.533 1.00 1.00 C ATOM 2473 CD GLN A 151 9.995 8.608 5.652 1.00 1.47 C ATOM 2474 OE1 GLN A 151 9.637 7.452 5.465 1.00 2.03 O ATOM 2475 NE2 GLN A 151 10.351 8.973 6.869 1.00 2.08 N ATOM 0 H GLN A 151 8.316 10.911 1.818 1.00 0.77 H new ATOM 0 HA GLN A 151 7.668 8.259 2.644 1.00 0.77 H new ATOM 0 HB2 GLN A 151 9.823 8.223 2.962 1.00 0.85 H new ATOM 0 HB3 GLN A 151 9.887 9.886 2.415 1.00 0.85 H new ATOM 0 HG2 GLN A 151 11.134 9.902 4.376 1.00 1.00 H new ATOM 0 HG3 GLN A 151 9.588 10.563 4.869 1.00 1.00 H new ATOM 0 HE21 GLN A 151 10.652 9.931 7.046 1.00 2.08 H new ATOM 0 HE22 GLN A 151 10.325 8.297 7.632 1.00 2.08 H new ATOM 2484 N LEU A 152 6.986 10.591 4.853 1.00 0.78 N ATOM 2485 CA LEU A 152 6.214 10.893 6.057 1.00 0.76 C ATOM 2486 C LEU A 152 4.710 10.765 5.796 1.00 0.68 C ATOM 2487 O LEU A 152 4.015 10.157 6.610 1.00 0.64 O ATOM 2488 CB LEU A 152 6.603 12.289 6.579 1.00 0.85 C ATOM 2489 CG LEU A 152 8.042 12.381 7.139 1.00 0.95 C ATOM 2490 CD1 LEU A 152 8.364 13.843 7.477 1.00 1.05 C ATOM 2491 CD2 LEU A 152 8.238 11.517 8.395 1.00 0.99 C ATOM 0 H LEU A 152 7.400 11.418 4.424 1.00 0.78 H new ATOM 0 HA LEU A 152 6.452 10.164 6.832 1.00 0.76 H new ATOM 0 HB2 LEU A 152 6.494 13.010 5.769 1.00 0.85 H new ATOM 0 HB3 LEU A 152 5.902 12.580 7.361 1.00 0.85 H new ATOM 0 HG LEU A 152 8.717 12.004 6.370 1.00 0.95 H new ATOM 0 HD11 LEU A 152 9.378 13.910 7.872 1.00 1.05 H new ATOM 0 HD12 LEU A 152 8.285 14.451 6.576 1.00 1.05 H new ATOM 0 HD13 LEU A 152 7.659 14.208 8.224 1.00 1.05 H new ATOM 0 HD21 LEU A 152 9.264 11.617 8.749 1.00 0.99 H new ATOM 0 HD22 LEU A 152 7.552 11.848 9.175 1.00 0.99 H new ATOM 0 HD23 LEU A 152 8.037 10.473 8.154 1.00 0.99 H new ATOM 2503 N LYS A 153 4.198 11.248 4.655 1.00 0.68 N ATOM 2504 CA LYS A 153 2.804 10.999 4.262 1.00 0.65 C ATOM 2505 C LYS A 153 2.503 9.500 4.128 1.00 0.59 C ATOM 2506 O LYS A 153 1.465 9.070 4.608 1.00 0.56 O ATOM 2507 CB LYS A 153 2.414 11.743 2.964 1.00 0.75 C ATOM 2508 CG LYS A 153 1.651 13.066 3.172 1.00 1.49 C ATOM 2509 CD LYS A 153 2.545 14.313 3.177 1.00 2.81 C ATOM 2510 CE LYS A 153 1.673 15.578 3.214 1.00 2.93 C ATOM 2511 NZ LYS A 153 2.484 16.813 3.062 1.00 3.62 N ATOM 0 H LYS A 153 4.727 11.812 3.990 1.00 0.68 H new ATOM 0 HA LYS A 153 2.191 11.399 5.070 1.00 0.65 H new ATOM 0 HB2 LYS A 153 3.321 11.950 2.396 1.00 0.75 H new ATOM 0 HB3 LYS A 153 1.800 11.080 2.354 1.00 0.75 H new ATOM 0 HG2 LYS A 153 0.905 13.170 2.384 1.00 1.49 H new ATOM 0 HG3 LYS A 153 1.111 13.016 4.117 1.00 1.49 H new ATOM 0 HD2 LYS A 153 3.209 14.292 4.041 1.00 2.81 H new ATOM 0 HD3 LYS A 153 3.177 14.322 2.289 1.00 2.81 H new ATOM 0 HE2 LYS A 153 0.930 15.531 2.417 1.00 2.93 H new ATOM 0 HE3 LYS A 153 1.127 15.616 4.157 1.00 2.93 H new ATOM 0 HZ1 LYS A 153 1.855 17.622 2.888 1.00 3.62 H new ATOM 0 HZ2 LYS A 153 3.030 16.979 3.932 1.00 3.62 H new ATOM 0 HZ3 LYS A 153 3.136 16.703 2.259 1.00 3.62 H new ATOM 2525 N MET A 154 3.384 8.681 3.551 1.00 0.59 N ATOM 2526 CA MET A 154 3.213 7.221 3.465 1.00 0.54 C ATOM 2527 C MET A 154 3.231 6.557 4.840 1.00 0.56 C ATOM 2528 O MET A 154 2.391 5.698 5.105 1.00 0.55 O ATOM 2529 CB MET A 154 4.270 6.614 2.527 1.00 0.55 C ATOM 2530 CG MET A 154 3.775 6.660 1.077 1.00 1.24 C ATOM 2531 SD MET A 154 2.467 5.475 0.653 1.00 2.32 S ATOM 2532 CE MET A 154 3.438 3.947 0.635 1.00 1.22 C ATOM 0 H MET A 154 4.249 9.013 3.124 1.00 0.59 H new ATOM 0 HA MET A 154 2.227 7.025 3.043 1.00 0.54 H new ATOM 0 HB2 MET A 154 5.207 7.164 2.617 1.00 0.55 H new ATOM 0 HB3 MET A 154 4.476 5.584 2.817 1.00 0.55 H new ATOM 0 HG2 MET A 154 3.410 7.666 0.869 1.00 1.24 H new ATOM 0 HG3 MET A 154 4.625 6.487 0.417 1.00 1.24 H new ATOM 0 HE1 MET A 154 2.796 3.112 0.355 1.00 1.22 H new ATOM 0 HE2 MET A 154 4.249 4.040 -0.087 1.00 1.22 H new ATOM 0 HE3 MET A 154 3.854 3.769 1.627 1.00 1.22 H new ATOM 2542 N GLN A 155 4.149 6.952 5.727 1.00 0.60 N ATOM 2543 CA GLN A 155 4.205 6.424 7.095 1.00 0.63 C ATOM 2544 C GLN A 155 2.960 6.799 7.926 1.00 0.62 C ATOM 2545 O GLN A 155 2.466 5.978 8.698 1.00 0.65 O ATOM 2546 CB GLN A 155 5.530 6.848 7.750 1.00 0.76 C ATOM 2547 CG GLN A 155 5.800 6.094 9.064 1.00 1.00 C ATOM 2548 CD GLN A 155 7.210 6.363 9.596 1.00 1.72 C ATOM 2549 OE1 GLN A 155 7.490 7.384 10.210 1.00 1.95 O ATOM 2550 NE2 GLN A 155 8.156 5.470 9.376 1.00 3.04 N ATOM 0 H GLN A 155 4.871 7.643 5.520 1.00 0.60 H new ATOM 0 HA GLN A 155 4.184 5.335 7.055 1.00 0.63 H new ATOM 0 HB2 GLN A 155 6.350 6.668 7.055 1.00 0.76 H new ATOM 0 HB3 GLN A 155 5.509 7.920 7.947 1.00 0.76 H new ATOM 0 HG2 GLN A 155 5.066 6.394 9.812 1.00 1.00 H new ATOM 0 HG3 GLN A 155 5.671 5.024 8.902 1.00 1.00 H new ATOM 0 HE21 GLN A 155 7.940 4.613 8.866 1.00 3.04 H new ATOM 0 HE22 GLN A 155 9.103 5.636 9.716 1.00 3.04 H new ATOM 2559 N LEU A 156 2.403 8.000 7.723 1.00 0.61 N ATOM 2560 CA LEU A 156 1.103 8.409 8.267 1.00 0.62 C ATOM 2561 C LEU A 156 -0.028 7.585 7.628 1.00 0.53 C ATOM 2562 O LEU A 156 -0.779 6.918 8.336 1.00 0.52 O ATOM 2563 CB LEU A 156 0.978 9.944 8.086 1.00 0.72 C ATOM 2564 CG LEU A 156 -0.306 10.667 8.562 1.00 0.91 C ATOM 2565 CD1 LEU A 156 -1.430 10.639 7.518 1.00 1.15 C ATOM 2566 CD2 LEU A 156 -0.834 10.168 9.910 1.00 1.91 C ATOM 0 H LEU A 156 2.852 8.727 7.166 1.00 0.61 H new ATOM 0 HA LEU A 156 1.020 8.202 9.334 1.00 0.62 H new ATOM 0 HB2 LEU A 156 1.821 10.403 8.602 1.00 0.72 H new ATOM 0 HB3 LEU A 156 1.099 10.158 7.024 1.00 0.72 H new ATOM 0 HG LEU A 156 0.010 11.701 8.699 1.00 0.91 H new ATOM 0 HD11 LEU A 156 -2.303 11.161 7.909 1.00 1.15 H new ATOM 0 HD12 LEU A 156 -1.092 11.131 6.606 1.00 1.15 H new ATOM 0 HD13 LEU A 156 -1.695 9.605 7.296 1.00 1.15 H new ATOM 0 HD21 LEU A 156 -1.734 10.722 10.176 1.00 1.91 H new ATOM 0 HD22 LEU A 156 -1.069 9.106 9.838 1.00 1.91 H new ATOM 0 HD23 LEU A 156 -0.075 10.320 10.677 1.00 1.91 H new ATOM 2578 N LEU A 157 -0.113 7.554 6.295 1.00 0.51 N ATOM 2579 CA LEU A 157 -1.148 6.849 5.532 1.00 0.49 C ATOM 2580 C LEU A 157 -1.205 5.371 5.915 1.00 0.46 C ATOM 2581 O LEU A 157 -2.294 4.888 6.221 1.00 0.47 O ATOM 2582 CB LEU A 157 -0.896 7.011 4.013 1.00 0.58 C ATOM 2583 CG LEU A 157 -1.407 8.293 3.295 1.00 0.94 C ATOM 2584 CD1 LEU A 157 -2.652 7.968 2.465 1.00 1.81 C ATOM 2585 CD2 LEU A 157 -1.774 9.485 4.191 1.00 2.29 C ATOM 0 H LEU A 157 0.559 8.035 5.697 1.00 0.51 H new ATOM 0 HA LEU A 157 -2.113 7.293 5.776 1.00 0.49 H new ATOM 0 HB2 LEU A 157 0.180 6.949 3.850 1.00 0.58 H new ATOM 0 HB3 LEU A 157 -1.344 6.153 3.512 1.00 0.58 H new ATOM 0 HG LEU A 157 -0.549 8.602 2.698 1.00 0.94 H new ATOM 0 HD11 LEU A 157 -3.003 8.871 1.966 1.00 1.81 H new ATOM 0 HD12 LEU A 157 -2.405 7.214 1.718 1.00 1.81 H new ATOM 0 HD13 LEU A 157 -3.436 7.587 3.119 1.00 1.81 H new ATOM 0 HD21 LEU A 157 -2.115 10.314 3.571 1.00 2.29 H new ATOM 0 HD22 LEU A 157 -2.569 9.193 4.877 1.00 2.29 H new ATOM 0 HD23 LEU A 157 -0.898 9.795 4.761 1.00 2.29 H new ATOM 2597 N VAL A 158 -0.065 4.672 5.976 1.00 0.46 N ATOM 2598 CA VAL A 158 -0.055 3.262 6.392 1.00 0.45 C ATOM 2599 C VAL A 158 -0.550 3.093 7.822 1.00 0.43 C ATOM 2600 O VAL A 158 -1.375 2.215 8.020 1.00 0.45 O ATOM 2601 CB VAL A 158 1.284 2.526 6.169 1.00 0.51 C ATOM 2602 CG1 VAL A 158 2.391 2.903 7.161 1.00 0.53 C ATOM 2603 CG2 VAL A 158 1.065 1.000 6.232 1.00 0.59 C ATOM 0 H VAL A 158 0.853 5.053 5.746 1.00 0.46 H new ATOM 0 HA VAL A 158 -0.759 2.773 5.719 1.00 0.45 H new ATOM 0 HB VAL A 158 1.624 2.842 5.183 1.00 0.51 H new ATOM 0 HG11 VAL A 158 3.294 2.339 6.930 1.00 0.53 H new ATOM 0 HG12 VAL A 158 2.600 3.970 7.085 1.00 0.53 H new ATOM 0 HG13 VAL A 158 2.066 2.669 8.175 1.00 0.53 H new ATOM 0 HG21 VAL A 158 2.015 0.489 6.074 1.00 0.59 H new ATOM 0 HG22 VAL A 158 0.666 0.730 7.210 1.00 0.59 H new ATOM 0 HG23 VAL A 158 0.359 0.701 5.457 1.00 0.59 H new ATOM 2613 N ARG A 159 -0.149 3.939 8.790 1.00 0.43 N ATOM 2614 CA ARG A 159 -0.659 3.855 10.171 1.00 0.45 C ATOM 2615 C ARG A 159 -2.182 3.941 10.184 1.00 0.46 C ATOM 2616 O ARG A 159 -2.853 3.118 10.808 1.00 0.50 O ATOM 2617 CB ARG A 159 -0.024 4.949 11.075 1.00 0.47 C ATOM 2618 CG ARG A 159 -0.922 5.367 12.266 1.00 0.82 C ATOM 2619 CD ARG A 159 -0.291 6.359 13.258 1.00 1.19 C ATOM 2620 NE ARG A 159 0.385 5.660 14.369 1.00 1.70 N ATOM 2621 CZ ARG A 159 -0.210 5.070 15.404 1.00 2.49 C ATOM 2622 NH1 ARG A 159 -1.522 5.036 15.533 1.00 3.05 N ATOM 2623 NH2 ARG A 159 0.516 4.494 16.337 1.00 3.45 N ATOM 0 H ARG A 159 0.527 4.688 8.641 1.00 0.43 H new ATOM 0 HA ARG A 159 -0.370 2.887 10.581 1.00 0.45 H new ATOM 0 HB2 ARG A 159 0.928 4.583 11.459 1.00 0.47 H new ATOM 0 HB3 ARG A 159 0.194 5.828 10.469 1.00 0.47 H new ATOM 0 HG2 ARG A 159 -1.837 5.809 11.871 1.00 0.82 H new ATOM 0 HG3 ARG A 159 -1.212 4.469 12.812 1.00 0.82 H new ATOM 0 HD2 ARG A 159 0.426 6.991 12.735 1.00 1.19 H new ATOM 0 HD3 ARG A 159 -1.063 7.016 13.657 1.00 1.19 H new ATOM 0 HE ARG A 159 1.404 5.626 14.341 1.00 1.70 H new ATOM 0 HH11 ARG A 159 -2.115 5.471 14.826 1.00 3.05 H new ATOM 0 HH12 ARG A 159 -1.943 4.575 16.339 1.00 3.05 H new ATOM 0 HH21 ARG A 159 1.534 4.500 16.267 1.00 3.45 H new ATOM 0 HH22 ARG A 159 0.061 4.042 17.130 1.00 3.45 H new ATOM 2637 N GLU A 160 -2.721 4.947 9.505 1.00 0.44 N ATOM 2638 CA GLU A 160 -4.117 5.321 9.682 1.00 0.46 C ATOM 2639 C GLU A 160 -5.033 4.391 8.880 1.00 0.49 C ATOM 2640 O GLU A 160 -6.078 3.973 9.373 1.00 0.56 O ATOM 2641 CB GLU A 160 -4.334 6.768 9.242 1.00 0.57 C ATOM 2642 CG GLU A 160 -3.340 7.804 9.783 1.00 1.38 C ATOM 2643 CD GLU A 160 -3.868 8.612 10.964 1.00 1.66 C ATOM 2644 OE1 GLU A 160 -4.461 9.684 10.716 1.00 2.60 O ATOM 2645 OE2 GLU A 160 -3.636 8.196 12.121 1.00 2.81 O ATOM 0 H GLU A 160 -2.213 5.517 8.828 1.00 0.44 H new ATOM 0 HA GLU A 160 -4.365 5.227 10.739 1.00 0.46 H new ATOM 0 HB2 GLU A 160 -4.303 6.802 8.153 1.00 0.57 H new ATOM 0 HB3 GLU A 160 -5.338 7.069 9.542 1.00 0.57 H new ATOM 0 HG2 GLU A 160 -2.426 7.292 10.085 1.00 1.38 H new ATOM 0 HG3 GLU A 160 -3.071 8.489 8.979 1.00 1.38 H new ATOM 2652 N SER A 161 -4.604 4.002 7.676 1.00 0.49 N ATOM 2653 CA SER A 161 -5.269 2.977 6.868 1.00 0.53 C ATOM 2654 C SER A 161 -5.307 1.648 7.618 1.00 0.54 C ATOM 2655 O SER A 161 -6.374 1.066 7.786 1.00 0.58 O ATOM 2656 CB SER A 161 -4.527 2.808 5.532 1.00 0.61 C ATOM 2657 OG SER A 161 -5.078 1.760 4.747 1.00 0.97 O ATOM 0 H SER A 161 -3.775 4.395 7.230 1.00 0.49 H new ATOM 0 HA SER A 161 -6.294 3.293 6.672 1.00 0.53 H new ATOM 0 HB2 SER A 161 -4.571 3.742 4.972 1.00 0.61 H new ATOM 0 HB3 SER A 161 -3.474 2.601 5.725 1.00 0.61 H new ATOM 0 HG SER A 161 -4.581 1.685 3.906 1.00 0.97 H new ATOM 2663 N LEU A 162 -4.156 1.207 8.146 1.00 0.54 N ATOM 2664 CA LEU A 162 -4.021 -0.044 8.886 1.00 0.63 C ATOM 2665 C LEU A 162 -4.987 -0.078 10.063 1.00 0.60 C ATOM 2666 O LEU A 162 -5.779 -1.010 10.145 1.00 0.68 O ATOM 2667 CB LEU A 162 -2.559 -0.081 9.374 1.00 0.80 C ATOM 2668 CG LEU A 162 -2.176 -1.073 10.487 1.00 1.74 C ATOM 2669 CD1 LEU A 162 -1.348 -2.203 9.872 1.00 1.63 C ATOM 2670 CD2 LEU A 162 -1.414 -0.288 11.569 1.00 3.52 C ATOM 0 H LEU A 162 -3.280 1.724 8.066 1.00 0.54 H new ATOM 0 HA LEU A 162 -4.257 -0.908 8.265 1.00 0.63 H new ATOM 0 HB2 LEU A 162 -1.928 -0.293 8.511 1.00 0.80 H new ATOM 0 HB3 LEU A 162 -2.301 0.920 9.720 1.00 0.80 H new ATOM 0 HG LEU A 162 -3.047 -1.533 10.954 1.00 1.74 H new ATOM 0 HD11 LEU A 162 -1.069 -2.914 10.649 1.00 1.63 H new ATOM 0 HD12 LEU A 162 -1.937 -2.712 9.109 1.00 1.63 H new ATOM 0 HD13 LEU A 162 -0.447 -1.789 9.419 1.00 1.63 H new ATOM 0 HD21 LEU A 162 -1.127 -0.964 12.375 1.00 3.52 H new ATOM 0 HD22 LEU A 162 -0.520 0.157 11.133 1.00 3.52 H new ATOM 0 HD23 LEU A 162 -2.055 0.499 11.966 1.00 3.52 H new ATOM 2682 N MET A 163 -4.985 0.935 10.927 1.00 0.56 N ATOM 2683 CA MET A 163 -5.802 0.915 12.144 1.00 0.64 C ATOM 2684 C MET A 163 -7.300 1.036 11.842 1.00 0.62 C ATOM 2685 O MET A 163 -8.096 0.328 12.458 1.00 0.68 O ATOM 2686 CB MET A 163 -5.285 1.940 13.166 1.00 0.76 C ATOM 2687 CG MET A 163 -5.534 3.380 12.740 1.00 0.96 C ATOM 2688 SD MET A 163 -4.798 4.613 13.835 1.00 1.62 S ATOM 2689 CE MET A 163 -5.773 6.033 13.290 1.00 0.90 C ATOM 0 H MET A 163 -4.428 1.781 10.809 1.00 0.56 H new ATOM 0 HA MET A 163 -5.694 -0.064 12.611 1.00 0.64 H new ATOM 0 HB2 MET A 163 -5.768 1.762 14.127 1.00 0.76 H new ATOM 0 HB3 MET A 163 -4.216 1.790 13.314 1.00 0.76 H new ATOM 0 HG2 MET A 163 -5.140 3.523 11.734 1.00 0.96 H new ATOM 0 HG3 MET A 163 -6.609 3.551 12.689 1.00 0.96 H new ATOM 0 HE1 MET A 163 -5.260 6.954 13.566 1.00 0.90 H new ATOM 0 HE2 MET A 163 -5.896 5.996 12.208 1.00 0.90 H new ATOM 0 HE3 MET A 163 -6.753 6.006 13.767 1.00 0.90 H new ATOM 2699 N ALA A 164 -7.700 1.894 10.897 1.00 0.58 N ATOM 2700 CA ALA A 164 -9.104 2.062 10.524 1.00 0.61 C ATOM 2701 C ALA A 164 -9.659 0.826 9.802 1.00 0.66 C ATOM 2702 O ALA A 164 -10.761 0.384 10.126 1.00 0.73 O ATOM 2703 CB ALA A 164 -9.247 3.347 9.695 1.00 0.58 C ATOM 0 H ALA A 164 -7.059 2.489 10.372 1.00 0.58 H new ATOM 0 HA ALA A 164 -9.708 2.162 11.426 1.00 0.61 H new ATOM 0 HB1 ALA A 164 -10.291 3.483 9.411 1.00 0.58 H new ATOM 0 HB2 ALA A 164 -8.918 4.201 10.288 1.00 0.58 H new ATOM 0 HB3 ALA A 164 -8.634 3.271 8.797 1.00 0.58 H new ATOM 2709 N LEU A 165 -8.896 0.232 8.875 1.00 0.65 N ATOM 2710 CA LEU A 165 -9.298 -0.983 8.153 1.00 0.72 C ATOM 2711 C LEU A 165 -9.321 -2.176 9.122 1.00 0.81 C ATOM 2712 O LEU A 165 -10.281 -2.946 9.125 1.00 0.89 O ATOM 2713 CB LEU A 165 -8.352 -1.195 6.945 1.00 0.68 C ATOM 2714 CG LEU A 165 -8.901 -1.930 5.704 1.00 0.76 C ATOM 2715 CD1 LEU A 165 -9.612 -3.252 6.017 1.00 1.35 C ATOM 2716 CD2 LEU A 165 -9.823 -1.009 4.890 1.00 1.79 C ATOM 0 H LEU A 165 -7.977 0.583 8.603 1.00 0.65 H new ATOM 0 HA LEU A 165 -10.308 -0.883 7.756 1.00 0.72 H new ATOM 0 HB2 LEU A 165 -8.001 -0.215 6.622 1.00 0.68 H new ATOM 0 HB3 LEU A 165 -7.480 -1.746 7.298 1.00 0.68 H new ATOM 0 HG LEU A 165 -8.025 -2.194 5.112 1.00 0.76 H new ATOM 0 HD11 LEU A 165 -9.967 -3.703 5.090 1.00 1.35 H new ATOM 0 HD12 LEU A 165 -8.916 -3.932 6.508 1.00 1.35 H new ATOM 0 HD13 LEU A 165 -10.459 -3.062 6.676 1.00 1.35 H new ATOM 0 HD21 LEU A 165 -10.199 -1.547 4.020 1.00 1.79 H new ATOM 0 HD22 LEU A 165 -10.661 -0.692 5.511 1.00 1.79 H new ATOM 0 HD23 LEU A 165 -9.264 -0.133 4.561 1.00 1.79 H new ATOM 2728 N MET A 166 -8.323 -2.279 10.009 1.00 0.80 N ATOM 2729 CA MET A 166 -8.273 -3.289 11.078 1.00 0.91 C ATOM 2730 C MET A 166 -9.535 -3.221 11.939 1.00 0.93 C ATOM 2731 O MET A 166 -10.191 -4.241 12.124 1.00 1.03 O ATOM 2732 CB MET A 166 -7.008 -3.088 11.932 1.00 0.89 C ATOM 2733 CG MET A 166 -6.772 -4.131 13.031 1.00 1.52 C ATOM 2734 SD MET A 166 -5.844 -5.579 12.470 1.00 2.35 S ATOM 2735 CE MET A 166 -7.193 -6.704 12.031 1.00 1.73 C ATOM 0 H MET A 166 -7.516 -1.655 10.006 1.00 0.80 H new ATOM 0 HA MET A 166 -8.230 -4.281 10.628 1.00 0.91 H new ATOM 0 HB2 MET A 166 -6.142 -3.084 11.270 1.00 0.89 H new ATOM 0 HB3 MET A 166 -7.059 -2.103 12.397 1.00 0.89 H new ATOM 0 HG2 MET A 166 -6.234 -3.662 13.855 1.00 1.52 H new ATOM 0 HG3 MET A 166 -7.735 -4.457 13.423 1.00 1.52 H new ATOM 0 HE1 MET A 166 -6.978 -7.172 11.070 1.00 1.73 H new ATOM 0 HE2 MET A 166 -7.288 -7.474 12.796 1.00 1.73 H new ATOM 0 HE3 MET A 166 -8.126 -6.144 11.962 1.00 1.73 H new ATOM 2745 N ARG A 167 -9.910 -2.030 12.417 1.00 0.89 N ATOM 2746 CA ARG A 167 -11.132 -1.808 13.203 1.00 0.97 C ATOM 2747 C ARG A 167 -12.453 -2.084 12.466 1.00 0.99 C ATOM 2748 O ARG A 167 -13.467 -2.342 13.117 1.00 1.10 O ATOM 2749 CB ARG A 167 -11.116 -0.384 13.787 1.00 0.99 C ATOM 2750 CG ARG A 167 -10.413 -0.295 15.151 1.00 1.24 C ATOM 2751 CD ARG A 167 -11.175 -1.007 16.287 1.00 1.93 C ATOM 2752 NE ARG A 167 -10.782 -2.421 16.461 1.00 3.32 N ATOM 2753 CZ ARG A 167 -9.714 -2.871 17.109 1.00 4.68 C ATOM 2754 NH1 ARG A 167 -8.860 -2.052 17.685 1.00 5.49 N ATOM 2755 NH2 ARG A 167 -9.488 -4.162 17.187 1.00 6.12 N ATOM 0 H ARG A 167 -9.367 -1.180 12.268 1.00 0.89 H new ATOM 0 HA ARG A 167 -11.110 -2.553 13.998 1.00 0.97 H new ATOM 0 HB2 ARG A 167 -10.617 0.284 13.085 1.00 0.99 H new ATOM 0 HB3 ARG A 167 -12.142 -0.030 13.891 1.00 0.99 H new ATOM 0 HG2 ARG A 167 -9.417 -0.729 15.066 1.00 1.24 H new ATOM 0 HG3 ARG A 167 -10.282 0.754 15.415 1.00 1.24 H new ATOM 0 HD2 ARG A 167 -11.003 -0.472 17.221 1.00 1.93 H new ATOM 0 HD3 ARG A 167 -12.245 -0.957 16.084 1.00 1.93 H new ATOM 0 HE ARG A 167 -11.393 -3.122 16.041 1.00 3.32 H new ATOM 0 HH11 ARG A 167 -9.010 -1.044 17.640 1.00 5.49 H new ATOM 0 HH12 ARG A 167 -8.048 -2.425 18.176 1.00 5.49 H new ATOM 0 HH21 ARG A 167 -10.133 -4.820 16.750 1.00 6.12 H new ATOM 0 HH22 ARG A 167 -8.667 -4.507 17.685 1.00 6.12 H new ATOM 2769 N LEU A 168 -12.469 -2.019 11.131 1.00 0.91 N ATOM 2770 CA LEU A 168 -13.661 -2.276 10.309 1.00 0.92 C ATOM 2771 C LEU A 168 -13.808 -3.752 9.896 1.00 1.02 C ATOM 2772 O LEU A 168 -14.925 -4.187 9.611 1.00 1.18 O ATOM 2773 CB LEU A 168 -13.655 -1.307 9.107 1.00 0.82 C ATOM 2774 CG LEU A 168 -14.828 -0.306 9.185 1.00 0.78 C ATOM 2775 CD1 LEU A 168 -14.469 1.000 8.470 1.00 1.88 C ATOM 2776 CD2 LEU A 168 -16.102 -0.929 8.595 1.00 1.50 C ATOM 0 H LEU A 168 -11.643 -1.783 10.581 1.00 0.91 H new ATOM 0 HA LEU A 168 -14.549 -2.083 10.911 1.00 0.92 H new ATOM 0 HB2 LEU A 168 -12.711 -0.763 9.081 1.00 0.82 H new ATOM 0 HB3 LEU A 168 -13.721 -1.875 8.179 1.00 0.82 H new ATOM 0 HG LEU A 168 -15.019 -0.072 10.232 1.00 0.78 H new ATOM 0 HD11 LEU A 168 -15.308 1.693 8.535 1.00 1.88 H new ATOM 0 HD12 LEU A 168 -13.593 1.445 8.943 1.00 1.88 H new ATOM 0 HD13 LEU A 168 -14.250 0.793 7.422 1.00 1.88 H new ATOM 0 HD21 LEU A 168 -16.920 -0.212 8.657 1.00 1.50 H new ATOM 0 HD22 LEU A 168 -15.929 -1.192 7.552 1.00 1.50 H new ATOM 0 HD23 LEU A 168 -16.362 -1.826 9.157 1.00 1.50 H new ATOM 2788 N ASN A 169 -12.718 -4.528 9.901 1.00 1.00 N ATOM 2789 CA ASN A 169 -12.731 -5.968 9.604 1.00 1.09 C ATOM 2790 C ASN A 169 -12.681 -6.836 10.885 1.00 1.13 C ATOM 2791 O ASN A 169 -13.471 -7.768 11.036 1.00 1.14 O ATOM 2792 CB ASN A 169 -11.550 -6.268 8.663 1.00 1.23 C ATOM 2793 CG ASN A 169 -11.833 -7.474 7.774 1.00 1.52 C ATOM 2794 OD1 ASN A 169 -12.622 -7.397 6.838 1.00 2.13 O ATOM 2795 ND2 ASN A 169 -11.222 -8.614 8.023 1.00 1.84 N ATOM 0 H ASN A 169 -11.787 -4.169 10.115 1.00 1.00 H new ATOM 0 HA ASN A 169 -13.671 -6.228 9.118 1.00 1.09 H new ATOM 0 HB2 ASN A 169 -11.349 -5.396 8.041 1.00 1.23 H new ATOM 0 HB3 ASN A 169 -10.652 -6.453 9.253 1.00 1.23 H new ATOM 0 HD21 ASN A 169 -11.406 -9.429 7.438 1.00 1.84 H new ATOM 0 HD22 ASN A 169 -10.565 -8.681 8.801 1.00 1.84 H new