USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 540 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 100 ASN :FLIP amide:sc= -0.354 F(o=-5.8,f=-2.7) USER MOD Set 1.2: A 127 SER OG : rot 180:sc= -1.77! USER MOD Set 1.3: A 144 HIS : no HE2:sc= -0.578 K(o=-2.7,f=-5.8) USER MOD Set 2.1: A 116 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 120 SER OG : rot 144:sc= 0.284 USER MOD Single : A 104 LYS NZ :NH3+ 155:sc= -0.158 (180deg=-0.693) USER MOD Single : A 105 ASN : amide:sc= 0.0353 X(o=0.035,f=-0.056) USER MOD Single : A 108 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0168) USER MOD Single : A 109 SER OG : rot 73:sc= 1.29 USER MOD Single : A 112 ASN : amide:sc= 0.903 K(o=0.9,f=-5.9!) USER MOD Single : A 113 LYS NZ :NH3+ 159:sc= -0.0874 (180deg=-0.45) USER MOD Single : A 118 THR OG1 : rot 81:sc= 0.0201 USER MOD Single : A 124 ASN : amide:sc= 1.15 K(o=1.1,f=-1.3) USER MOD Single : A 128 CYS SG : rot 122:sc= -5.15! USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 TYR OH : rot 180:sc= 0 USER MOD Single : A 147 THR OG1 : rot 180:sc= -0.0224 USER MOD Single : A 148 GLN : amide:sc= -0.741 X(o=-0.74,f=-0.65) USER MOD Single : A 157 LYS NZ :NH3+ -161:sc= -0.0311 (180deg=-0.269) USER MOD Single : A 158 MET CE :methyl -170:sc= -0.79 (180deg=-1.34) USER MOD Single : A 159 ASN : amide:sc= -1.27 K(o=-1.3,f=-3.8!) USER MOD Single : A 161 MET CE :methyl -176:sc= 0 (180deg=-0.042) USER MOD Single : A 164 ASN : amide:sc= -3.41! C(o=-3.4!,f=-14!) USER MOD Single : A 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 140 N VAL A 98 11.072 -1.545 4.541 1.00 0.29 N ATOM 141 CA VAL A 98 10.846 -2.990 4.395 1.00 0.33 C ATOM 142 C VAL A 98 9.376 -3.338 4.228 1.00 0.25 C ATOM 143 O VAL A 98 8.517 -2.901 4.992 1.00 0.27 O ATOM 144 CB VAL A 98 11.438 -3.813 5.556 1.00 0.49 C ATOM 145 CG1 VAL A 98 10.889 -5.234 5.544 1.00 0.47 C ATOM 146 CG2 VAL A 98 12.950 -3.844 5.456 1.00 0.71 C ATOM 0 HA VAL A 98 11.374 -3.261 3.481 1.00 0.33 H new ATOM 0 HB VAL A 98 11.151 -3.338 6.494 1.00 0.49 H new ATOM 0 HG11 VAL A 98 11.320 -5.798 6.372 1.00 0.47 H new ATOM 0 HG12 VAL A 98 9.805 -5.206 5.650 1.00 0.47 H new ATOM 0 HG13 VAL A 98 11.149 -5.717 4.602 1.00 0.47 H new ATOM 0 HG21 VAL A 98 13.357 -4.428 6.281 1.00 0.71 H new ATOM 0 HG22 VAL A 98 13.243 -4.299 4.510 1.00 0.71 H new ATOM 0 HG23 VAL A 98 13.339 -2.827 5.505 1.00 0.71 H new ATOM 156 N GLY A 99 9.082 -4.111 3.199 1.00 0.21 N ATOM 157 CA GLY A 99 7.731 -4.563 3.013 1.00 0.20 C ATOM 158 C GLY A 99 6.826 -3.437 2.577 1.00 0.15 C ATOM 159 O GLY A 99 5.621 -3.473 2.802 1.00 0.18 O ATOM 0 H GLY A 99 9.750 -4.429 2.497 1.00 0.21 H new ATOM 0 HA2 GLY A 99 7.711 -5.357 2.266 1.00 0.20 H new ATOM 0 HA3 GLY A 99 7.358 -4.991 3.943 1.00 0.20 H new ATOM 163 N ASN A 100 7.419 -2.420 1.975 1.00 0.13 N ATOM 164 CA ASN A 100 6.682 -1.225 1.619 1.00 0.14 C ATOM 165 C ASN A 100 5.993 -1.423 0.286 1.00 0.14 C ATOM 166 O ASN A 100 6.628 -1.782 -0.709 1.00 0.19 O ATOM 167 CB ASN A 100 7.633 -0.027 1.546 1.00 0.21 C ATOM 168 CG ASN A 100 8.014 0.509 2.909 1.00 0.28 C ATOM 169 OD1 ASN A 100 7.964 -0.338 3.930 1.00 0.63 O flip ATOM 170 ND2 ASN A 100 8.338 1.685 3.050 1.00 0.20 N flip ATOM 0 H ASN A 100 8.407 -2.400 1.724 1.00 0.13 H new ATOM 0 HA ASN A 100 5.928 -1.031 2.382 1.00 0.14 H new ATOM 0 HB2 ASN A 100 8.537 -0.319 1.011 1.00 0.21 H new ATOM 0 HB3 ASN A 100 7.163 0.768 0.967 1.00 0.21 H new ATOM 0 HD21 ASN A 100 8.365 2.307 2.242 1.00 0.20 H new ATOM 0 HD22 ASN A 100 8.580 2.040 3.975 1.00 0.20 H new ATOM 177 N ILE A 101 4.696 -1.187 0.272 1.00 0.12 N ATOM 178 CA ILE A 101 3.915 -1.254 -0.948 1.00 0.13 C ATOM 179 C ILE A 101 2.997 -0.050 -1.032 1.00 0.12 C ATOM 180 O ILE A 101 2.655 0.549 -0.009 1.00 0.15 O ATOM 181 CB ILE A 101 3.072 -2.541 -1.031 1.00 0.13 C ATOM 182 CG1 ILE A 101 2.105 -2.617 0.147 1.00 0.11 C ATOM 183 CG2 ILE A 101 3.970 -3.767 -1.073 1.00 0.15 C ATOM 184 CD1 ILE A 101 1.214 -3.837 0.125 1.00 0.13 C ATOM 0 H ILE A 101 4.155 -0.944 1.102 1.00 0.12 H new ATOM 0 HA ILE A 101 4.615 -1.260 -1.783 1.00 0.13 H new ATOM 0 HB ILE A 101 2.490 -2.517 -1.952 1.00 0.13 H new ATOM 0 HG12 ILE A 101 2.676 -2.612 1.075 1.00 0.11 H new ATOM 0 HG13 ILE A 101 1.482 -1.723 0.152 1.00 0.11 H new ATOM 0 HG21 ILE A 101 3.356 -4.666 -1.131 1.00 0.15 H new ATOM 0 HG22 ILE A 101 4.619 -3.713 -1.947 1.00 0.15 H new ATOM 0 HG23 ILE A 101 4.580 -3.802 -0.170 1.00 0.15 H new ATOM 0 HD11 ILE A 101 0.555 -3.822 0.993 1.00 0.13 H new ATOM 0 HD12 ILE A 101 0.615 -3.834 -0.786 1.00 0.13 H new ATOM 0 HD13 ILE A 101 1.828 -4.737 0.152 1.00 0.13 H new ATOM 196 N PHE A 102 2.603 0.305 -2.236 1.00 0.11 N ATOM 197 CA PHE A 102 1.696 1.418 -2.425 1.00 0.11 C ATOM 198 C PHE A 102 0.447 0.942 -3.156 1.00 0.09 C ATOM 199 O PHE A 102 0.527 0.113 -4.065 1.00 0.11 O ATOM 200 CB PHE A 102 2.409 2.565 -3.163 1.00 0.16 C ATOM 201 CG PHE A 102 1.865 2.893 -4.525 1.00 0.13 C ATOM 202 CD1 PHE A 102 0.796 3.764 -4.667 1.00 0.14 C ATOM 203 CD2 PHE A 102 2.433 2.343 -5.662 1.00 0.17 C ATOM 204 CE1 PHE A 102 0.300 4.075 -5.915 1.00 0.17 C ATOM 205 CE2 PHE A 102 1.944 2.654 -6.914 1.00 0.21 C ATOM 206 CZ PHE A 102 0.877 3.519 -7.041 1.00 0.20 C ATOM 0 H PHE A 102 2.895 -0.159 -3.096 1.00 0.11 H new ATOM 0 HA PHE A 102 1.381 1.810 -1.458 1.00 0.11 H new ATOM 0 HB2 PHE A 102 2.356 3.461 -2.544 1.00 0.16 H new ATOM 0 HB3 PHE A 102 3.464 2.309 -3.264 1.00 0.16 H new ATOM 0 HD1 PHE A 102 0.346 4.204 -3.789 1.00 0.14 H new ATOM 0 HD2 PHE A 102 3.267 1.664 -5.568 1.00 0.17 H new ATOM 0 HE1 PHE A 102 -0.537 4.751 -6.012 1.00 0.17 H new ATOM 0 HE2 PHE A 102 2.396 2.221 -7.794 1.00 0.21 H new ATOM 0 HZ PHE A 102 0.492 3.762 -8.021 1.00 0.20 H new ATOM 216 N ILE A 103 -0.698 1.446 -2.727 1.00 0.08 N ATOM 217 CA ILE A 103 -1.981 1.036 -3.273 1.00 0.08 C ATOM 218 C ILE A 103 -2.681 2.224 -3.920 1.00 0.08 C ATOM 219 O ILE A 103 -2.677 3.325 -3.371 1.00 0.15 O ATOM 220 CB ILE A 103 -2.889 0.462 -2.167 1.00 0.08 C ATOM 221 CG1 ILE A 103 -2.176 -0.661 -1.414 1.00 0.08 C ATOM 222 CG2 ILE A 103 -4.192 -0.057 -2.758 1.00 0.10 C ATOM 223 CD1 ILE A 103 -2.540 -0.717 0.045 1.00 0.09 C ATOM 0 H ILE A 103 -0.764 2.150 -1.992 1.00 0.08 H new ATOM 0 HA ILE A 103 -1.796 0.265 -4.020 1.00 0.08 H new ATOM 0 HB ILE A 103 -3.117 1.266 -1.467 1.00 0.08 H new ATOM 0 HG12 ILE A 103 -2.421 -1.615 -1.880 1.00 0.08 H new ATOM 0 HG13 ILE A 103 -1.098 -0.527 -1.509 1.00 0.08 H new ATOM 0 HG21 ILE A 103 -4.819 -0.458 -1.961 1.00 0.10 H new ATOM 0 HG22 ILE A 103 -4.716 0.759 -3.256 1.00 0.10 H new ATOM 0 HG23 ILE A 103 -3.976 -0.844 -3.480 1.00 0.10 H new ATOM 0 HD11 ILE A 103 -2.001 -1.535 0.523 1.00 0.09 H new ATOM 0 HD12 ILE A 103 -2.270 0.224 0.524 1.00 0.09 H new ATOM 0 HD13 ILE A 103 -3.613 -0.881 0.146 1.00 0.09 H new ATOM 235 N LYS A 104 -3.272 2.003 -5.082 1.00 0.13 N ATOM 236 CA LYS A 104 -3.982 3.058 -5.789 1.00 0.13 C ATOM 237 C LYS A 104 -5.418 2.634 -6.073 1.00 0.12 C ATOM 238 O LYS A 104 -5.702 1.440 -6.170 1.00 0.14 O ATOM 239 CB LYS A 104 -3.281 3.370 -7.112 1.00 0.19 C ATOM 240 CG LYS A 104 -3.416 4.824 -7.549 1.00 0.28 C ATOM 241 CD LYS A 104 -2.718 5.101 -8.872 1.00 0.39 C ATOM 242 CE LYS A 104 -3.563 4.680 -10.067 1.00 0.66 C ATOM 243 NZ LYS A 104 -4.862 5.406 -10.117 1.00 1.46 N ATOM 0 H LYS A 104 -3.275 1.101 -5.558 1.00 0.13 H new ATOM 0 HA LYS A 104 -3.987 3.948 -5.159 1.00 0.13 H new ATOM 0 HB2 LYS A 104 -2.223 3.125 -7.019 1.00 0.19 H new ATOM 0 HB3 LYS A 104 -3.690 2.726 -7.891 1.00 0.19 H new ATOM 0 HG2 LYS A 104 -4.473 5.076 -7.639 1.00 0.28 H new ATOM 0 HG3 LYS A 104 -2.998 5.472 -6.779 1.00 0.28 H new ATOM 0 HD2 LYS A 104 -2.492 6.165 -8.946 1.00 0.39 H new ATOM 0 HD3 LYS A 104 -1.766 4.570 -8.897 1.00 0.39 H new ATOM 0 HE2 LYS A 104 -3.008 4.866 -10.987 1.00 0.66 H new ATOM 0 HE3 LYS A 104 -3.749 3.607 -10.019 1.00 0.66 H new ATOM 0 HZ1 LYS A 104 -5.207 5.432 -11.098 1.00 1.46 H new ATOM 0 HZ2 LYS A 104 -5.557 4.916 -9.518 1.00 1.46 H new ATOM 0 HZ3 LYS A 104 -4.730 6.378 -9.770 1.00 1.46 H new ATOM 257 N ASN A 105 -6.308 3.620 -6.176 1.00 0.12 N ATOM 258 CA ASN A 105 -7.683 3.416 -6.635 1.00 0.13 C ATOM 259 C ASN A 105 -8.527 2.745 -5.547 1.00 0.15 C ATOM 260 O ASN A 105 -9.288 1.809 -5.800 1.00 0.25 O ATOM 261 CB ASN A 105 -7.690 2.614 -7.945 1.00 0.16 C ATOM 262 CG ASN A 105 -8.964 2.804 -8.751 1.00 0.23 C ATOM 263 OD1 ASN A 105 -9.091 3.753 -9.526 1.00 0.49 O ATOM 264 ND2 ASN A 105 -9.891 1.879 -8.621 1.00 0.34 N ATOM 0 H ASN A 105 -6.095 4.590 -5.942 1.00 0.12 H new ATOM 0 HA ASN A 105 -8.137 4.386 -6.837 1.00 0.13 H new ATOM 0 HB2 ASN A 105 -6.835 2.912 -8.552 1.00 0.16 H new ATOM 0 HB3 ASN A 105 -7.565 1.555 -7.717 1.00 0.16 H new ATOM 0 HD21 ASN A 105 -10.748 1.935 -9.172 1.00 0.34 H new ATOM 0 HD22 ASN A 105 -9.753 1.106 -7.969 1.00 0.34 H new ATOM 271 N LEU A 106 -8.379 3.254 -4.329 1.00 0.14 N ATOM 272 CA LEU A 106 -9.154 2.798 -3.178 1.00 0.17 C ATOM 273 C LEU A 106 -10.460 3.578 -3.061 1.00 0.22 C ATOM 274 O LEU A 106 -10.636 4.607 -3.714 1.00 0.26 O ATOM 275 CB LEU A 106 -8.333 2.973 -1.895 1.00 0.16 C ATOM 276 CG LEU A 106 -7.239 1.929 -1.673 1.00 0.14 C ATOM 277 CD1 LEU A 106 -6.176 2.466 -0.736 1.00 0.15 C ATOM 278 CD2 LEU A 106 -7.834 0.654 -1.099 1.00 0.16 C ATOM 0 H LEU A 106 -7.716 3.997 -4.110 1.00 0.14 H new ATOM 0 HA LEU A 106 -9.390 1.743 -3.319 1.00 0.17 H new ATOM 0 HB2 LEU A 106 -7.872 3.961 -1.910 1.00 0.16 H new ATOM 0 HB3 LEU A 106 -9.012 2.951 -1.043 1.00 0.16 H new ATOM 0 HG LEU A 106 -6.780 1.705 -2.636 1.00 0.14 H new ATOM 0 HD11 LEU A 106 -5.405 1.710 -0.589 1.00 0.15 H new ATOM 0 HD12 LEU A 106 -5.729 3.361 -1.168 1.00 0.15 H new ATOM 0 HD13 LEU A 106 -6.629 2.714 0.224 1.00 0.15 H new ATOM 0 HD21 LEU A 106 -7.043 -0.080 -0.946 1.00 0.16 H new ATOM 0 HD22 LEU A 106 -8.314 0.874 -0.145 1.00 0.16 H new ATOM 0 HD23 LEU A 106 -8.572 0.253 -1.793 1.00 0.16 H new ATOM 290 N ASP A 107 -11.372 3.084 -2.228 1.00 0.27 N ATOM 291 CA ASP A 107 -12.653 3.751 -2.004 1.00 0.32 C ATOM 292 C ASP A 107 -12.573 4.600 -0.744 1.00 0.30 C ATOM 293 O ASP A 107 -11.684 4.397 0.085 1.00 0.26 O ATOM 294 CB ASP A 107 -13.785 2.724 -1.835 1.00 0.37 C ATOM 295 CG ASP A 107 -15.165 3.322 -2.041 1.00 0.50 C ATOM 296 OD1 ASP A 107 -15.717 3.907 -1.088 1.00 0.71 O ATOM 297 OD2 ASP A 107 -15.701 3.222 -3.162 1.00 0.62 O ATOM 0 H ASP A 107 -11.248 2.223 -1.696 1.00 0.27 H new ATOM 0 HA ASP A 107 -12.866 4.376 -2.871 1.00 0.32 H new ATOM 0 HB2 ASP A 107 -13.638 1.910 -2.545 1.00 0.37 H new ATOM 0 HB3 ASP A 107 -13.728 2.290 -0.837 1.00 0.37 H new ATOM 302 N LYS A 108 -13.505 5.531 -0.590 1.00 0.38 N ATOM 303 CA LYS A 108 -13.611 6.306 0.641 1.00 0.43 C ATOM 304 C LYS A 108 -14.016 5.389 1.790 1.00 0.36 C ATOM 305 O LYS A 108 -13.752 5.673 2.957 1.00 0.46 O ATOM 306 CB LYS A 108 -14.639 7.430 0.498 1.00 0.55 C ATOM 307 CG LYS A 108 -16.063 6.938 0.301 1.00 0.57 C ATOM 308 CD LYS A 108 -17.068 7.990 0.720 1.00 0.90 C ATOM 309 CE LYS A 108 -18.501 7.496 0.581 1.00 1.21 C ATOM 310 NZ LYS A 108 -18.898 7.300 -0.839 1.00 2.20 N ATOM 0 H LYS A 108 -14.198 5.768 -1.300 1.00 0.38 H new ATOM 0 HA LYS A 108 -12.639 6.753 0.848 1.00 0.43 H new ATOM 0 HB2 LYS A 108 -14.602 8.059 1.387 1.00 0.55 H new ATOM 0 HB3 LYS A 108 -14.361 8.058 -0.348 1.00 0.55 H new ATOM 0 HG2 LYS A 108 -16.219 6.678 -0.746 1.00 0.57 H new ATOM 0 HG3 LYS A 108 -16.220 6.029 0.882 1.00 0.57 H new ATOM 0 HD2 LYS A 108 -16.882 8.277 1.755 1.00 0.90 H new ATOM 0 HD3 LYS A 108 -16.932 8.884 0.112 1.00 0.90 H new ATOM 0 HE2 LYS A 108 -18.612 6.555 1.120 1.00 1.21 H new ATOM 0 HE3 LYS A 108 -19.176 8.212 1.049 1.00 1.21 H new ATOM 0 HZ1 LYS A 108 -19.905 7.045 -0.886 1.00 2.20 H new ATOM 0 HZ2 LYS A 108 -18.738 8.181 -1.369 1.00 2.20 H new ATOM 0 HZ3 LYS A 108 -18.328 6.537 -1.257 1.00 2.20 H new ATOM 324 N SER A 109 -14.676 4.292 1.431 1.00 0.31 N ATOM 325 CA SER A 109 -15.067 3.254 2.365 1.00 0.40 C ATOM 326 C SER A 109 -13.860 2.620 3.058 1.00 0.34 C ATOM 327 O SER A 109 -14.006 1.940 4.073 1.00 0.43 O ATOM 328 CB SER A 109 -15.834 2.185 1.597 1.00 0.56 C ATOM 329 OG SER A 109 -16.950 2.741 0.922 1.00 1.41 O ATOM 0 H SER A 109 -14.956 4.101 0.469 1.00 0.31 H new ATOM 0 HA SER A 109 -15.687 3.701 3.142 1.00 0.40 H new ATOM 0 HB2 SER A 109 -15.172 1.705 0.876 1.00 0.56 H new ATOM 0 HB3 SER A 109 -16.171 1.410 2.285 1.00 0.56 H new ATOM 0 HG SER A 109 -16.640 3.264 0.153 1.00 1.41 H new ATOM 335 N ILE A 110 -12.676 2.834 2.508 1.00 0.23 N ATOM 336 CA ILE A 110 -11.476 2.227 3.052 1.00 0.20 C ATOM 337 C ILE A 110 -10.792 3.156 4.046 1.00 0.20 C ATOM 338 O ILE A 110 -10.547 4.330 3.762 1.00 0.26 O ATOM 339 CB ILE A 110 -10.486 1.832 1.933 1.00 0.20 C ATOM 340 CG1 ILE A 110 -11.118 0.780 1.018 1.00 0.21 C ATOM 341 CG2 ILE A 110 -9.177 1.310 2.516 1.00 0.22 C ATOM 342 CD1 ILE A 110 -11.558 -0.476 1.741 1.00 0.23 C ATOM 0 H ILE A 110 -12.522 3.421 1.688 1.00 0.23 H new ATOM 0 HA ILE A 110 -11.784 1.321 3.575 1.00 0.20 H new ATOM 0 HB ILE A 110 -10.261 2.723 1.347 1.00 0.20 H new ATOM 0 HG12 ILE A 110 -11.980 1.220 0.516 1.00 0.21 H new ATOM 0 HG13 ILE A 110 -10.401 0.509 0.243 1.00 0.21 H new ATOM 0 HG21 ILE A 110 -8.500 1.040 1.706 1.00 0.22 H new ATOM 0 HG22 ILE A 110 -8.717 2.085 3.130 1.00 0.22 H new ATOM 0 HG23 ILE A 110 -9.377 0.432 3.130 1.00 0.22 H new ATOM 0 HD11 ILE A 110 -11.996 -1.173 1.026 1.00 0.23 H new ATOM 0 HD12 ILE A 110 -10.696 -0.941 2.220 1.00 0.23 H new ATOM 0 HD13 ILE A 110 -12.299 -0.219 2.498 1.00 0.23 H new ATOM 354 N ASP A 111 -10.513 2.621 5.221 1.00 0.17 N ATOM 355 CA ASP A 111 -9.772 3.338 6.243 1.00 0.18 C ATOM 356 C ASP A 111 -8.494 2.569 6.533 1.00 0.14 C ATOM 357 O ASP A 111 -8.253 1.528 5.915 1.00 0.13 O ATOM 358 CB ASP A 111 -10.610 3.468 7.515 1.00 0.23 C ATOM 359 CG ASP A 111 -10.102 4.557 8.436 1.00 1.01 C ATOM 360 OD1 ASP A 111 -10.457 5.737 8.227 1.00 1.23 O ATOM 361 OD2 ASP A 111 -9.347 4.234 9.376 1.00 1.59 O ATOM 0 H ASP A 111 -10.793 1.679 5.493 1.00 0.17 H new ATOM 0 HA ASP A 111 -9.533 4.342 5.893 1.00 0.18 H new ATOM 0 HB2 ASP A 111 -11.645 3.679 7.244 1.00 0.23 H new ATOM 0 HB3 ASP A 111 -10.607 2.517 8.047 1.00 0.23 H new ATOM 366 N ASN A 112 -7.690 3.042 7.473 1.00 0.15 N ATOM 367 CA ASN A 112 -6.450 2.353 7.816 1.00 0.13 C ATOM 368 C ASN A 112 -6.772 0.970 8.336 1.00 0.11 C ATOM 369 O ASN A 112 -6.050 0.009 8.080 1.00 0.12 O ATOM 370 CB ASN A 112 -5.648 3.118 8.869 1.00 0.16 C ATOM 371 CG ASN A 112 -5.206 4.488 8.387 1.00 0.19 C ATOM 372 OD1 ASN A 112 -5.079 4.725 7.192 1.00 0.60 O ATOM 373 ND2 ASN A 112 -4.943 5.395 9.312 1.00 0.55 N ATOM 0 H ASN A 112 -7.869 3.891 8.009 1.00 0.15 H new ATOM 0 HA ASN A 112 -5.842 2.287 6.914 1.00 0.13 H new ATOM 0 HB2 ASN A 112 -6.253 3.231 9.769 1.00 0.16 H new ATOM 0 HB3 ASN A 112 -4.770 2.534 9.146 1.00 0.16 H new ATOM 0 HD21 ASN A 112 -4.624 6.324 9.039 1.00 0.55 H new ATOM 0 HD22 ASN A 112 -5.059 5.165 10.299 1.00 0.55 H new ATOM 380 N LYS A 113 -7.889 0.879 9.044 1.00 0.12 N ATOM 381 CA LYS A 113 -8.369 -0.367 9.565 1.00 0.12 C ATOM 382 C LYS A 113 -8.669 -1.330 8.444 1.00 0.11 C ATOM 383 O LYS A 113 -8.235 -2.468 8.453 1.00 0.11 O ATOM 384 CB LYS A 113 -9.661 -0.125 10.303 1.00 0.15 C ATOM 385 CG LYS A 113 -9.714 -0.688 11.712 1.00 0.28 C ATOM 386 CD LYS A 113 -9.376 -2.167 11.764 1.00 0.54 C ATOM 387 CE LYS A 113 -7.879 -2.415 11.651 1.00 1.63 C ATOM 388 NZ LYS A 113 -7.117 -1.808 12.777 1.00 2.58 N ATOM 0 H LYS A 113 -8.482 1.679 9.267 1.00 0.12 H new ATOM 0 HA LYS A 113 -7.603 -0.782 10.220 1.00 0.12 H new ATOM 0 HB2 LYS A 113 -9.838 0.949 10.351 1.00 0.15 H new ATOM 0 HB3 LYS A 113 -10.478 -0.557 9.725 1.00 0.15 H new ATOM 0 HG2 LYS A 113 -9.018 -0.138 12.345 1.00 0.28 H new ATOM 0 HG3 LYS A 113 -10.711 -0.532 12.124 1.00 0.28 H new ATOM 0 HD2 LYS A 113 -9.744 -2.590 12.699 1.00 0.54 H new ATOM 0 HD3 LYS A 113 -9.891 -2.685 10.955 1.00 0.54 H new ATOM 0 HE2 LYS A 113 -7.692 -3.489 11.626 1.00 1.63 H new ATOM 0 HE3 LYS A 113 -7.516 -2.006 10.708 1.00 1.63 H new ATOM 0 HZ1 LYS A 113 -6.194 -2.279 12.865 1.00 2.58 H new ATOM 0 HZ2 LYS A 113 -6.973 -0.795 12.592 1.00 2.58 H new ATOM 0 HZ3 LYS A 113 -7.651 -1.926 13.661 1.00 2.58 H new ATOM 402 N ALA A 114 -9.422 -0.837 7.487 1.00 0.11 N ATOM 403 CA ALA A 114 -9.876 -1.634 6.355 1.00 0.12 C ATOM 404 C ALA A 114 -8.698 -2.154 5.549 1.00 0.11 C ATOM 405 O ALA A 114 -8.668 -3.320 5.151 1.00 0.13 O ATOM 406 CB ALA A 114 -10.792 -0.800 5.476 1.00 0.15 C ATOM 0 H ALA A 114 -9.742 0.131 7.466 1.00 0.11 H new ATOM 0 HA ALA A 114 -10.428 -2.494 6.734 1.00 0.12 H new ATOM 0 HB1 ALA A 114 -11.130 -1.399 4.630 1.00 0.15 H new ATOM 0 HB2 ALA A 114 -11.655 -0.473 6.056 1.00 0.15 H new ATOM 0 HB3 ALA A 114 -10.250 0.072 5.109 1.00 0.15 H new ATOM 412 N LEU A 115 -7.724 -1.285 5.333 1.00 0.09 N ATOM 413 CA LEU A 115 -6.520 -1.652 4.613 1.00 0.09 C ATOM 414 C LEU A 115 -5.741 -2.690 5.419 1.00 0.08 C ATOM 415 O LEU A 115 -5.348 -3.734 4.893 1.00 0.09 O ATOM 416 CB LEU A 115 -5.678 -0.388 4.386 1.00 0.10 C ATOM 417 CG LEU A 115 -4.662 -0.439 3.244 1.00 0.11 C ATOM 418 CD1 LEU A 115 -3.973 0.906 3.097 1.00 0.16 C ATOM 419 CD2 LEU A 115 -3.633 -1.520 3.477 1.00 0.11 C ATOM 0 H LEU A 115 -7.746 -0.315 5.649 1.00 0.09 H new ATOM 0 HA LEU A 115 -6.771 -2.089 3.647 1.00 0.09 H new ATOM 0 HB2 LEU A 115 -6.356 0.445 4.202 1.00 0.10 H new ATOM 0 HB3 LEU A 115 -5.143 -0.165 5.309 1.00 0.10 H new ATOM 0 HG LEU A 115 -5.200 -0.672 2.325 1.00 0.11 H new ATOM 0 HD11 LEU A 115 -3.252 0.858 2.281 1.00 0.16 H new ATOM 0 HD12 LEU A 115 -4.716 1.674 2.880 1.00 0.16 H new ATOM 0 HD13 LEU A 115 -3.456 1.153 4.024 1.00 0.16 H new ATOM 0 HD21 LEU A 115 -2.924 -1.532 2.649 1.00 0.11 H new ATOM 0 HD22 LEU A 115 -3.101 -1.321 4.407 1.00 0.11 H new ATOM 0 HD23 LEU A 115 -4.130 -2.488 3.543 1.00 0.11 H new ATOM 431 N TYR A 116 -5.559 -2.418 6.705 1.00 0.08 N ATOM 432 CA TYR A 116 -4.899 -3.356 7.596 1.00 0.09 C ATOM 433 C TYR A 116 -5.650 -4.675 7.639 1.00 0.10 C ATOM 434 O TYR A 116 -5.047 -5.737 7.541 1.00 0.11 O ATOM 435 CB TYR A 116 -4.785 -2.782 9.013 1.00 0.10 C ATOM 436 CG TYR A 116 -4.288 -3.795 10.022 1.00 0.13 C ATOM 437 CD1 TYR A 116 -2.930 -4.038 10.175 1.00 0.19 C ATOM 438 CD2 TYR A 116 -5.179 -4.526 10.802 1.00 0.18 C ATOM 439 CE1 TYR A 116 -2.470 -4.979 11.076 1.00 0.24 C ATOM 440 CE2 TYR A 116 -4.725 -5.466 11.707 1.00 0.23 C ATOM 441 CZ TYR A 116 -3.371 -5.689 11.839 1.00 0.23 C ATOM 442 OH TYR A 116 -2.915 -6.630 12.735 1.00 0.30 O ATOM 0 H TYR A 116 -5.861 -1.553 7.153 1.00 0.08 H new ATOM 0 HA TYR A 116 -3.896 -3.530 7.207 1.00 0.09 H new ATOM 0 HB2 TYR A 116 -4.108 -1.928 9.000 1.00 0.10 H new ATOM 0 HB3 TYR A 116 -5.760 -2.411 9.329 1.00 0.10 H new ATOM 0 HD1 TYR A 116 -2.221 -3.482 9.580 1.00 0.19 H new ATOM 0 HD2 TYR A 116 -6.241 -4.356 10.698 1.00 0.18 H new ATOM 0 HE1 TYR A 116 -1.410 -5.157 11.182 1.00 0.24 H new ATOM 0 HE2 TYR A 116 -5.428 -6.024 12.308 1.00 0.23 H new ATOM 0 HH TYR A 116 -3.677 -7.041 13.194 1.00 0.30 H new ATOM 452 N ASP A 117 -6.967 -4.594 7.749 1.00 0.10 N ATOM 453 CA ASP A 117 -7.804 -5.775 7.894 1.00 0.12 C ATOM 454 C ASP A 117 -7.590 -6.744 6.742 1.00 0.12 C ATOM 455 O ASP A 117 -7.486 -7.955 6.944 1.00 0.15 O ATOM 456 CB ASP A 117 -9.275 -5.351 7.951 1.00 0.16 C ATOM 457 CG ASP A 117 -10.225 -6.523 8.057 1.00 0.27 C ATOM 458 OD1 ASP A 117 -10.404 -7.045 9.178 1.00 0.36 O ATOM 459 OD2 ASP A 117 -10.789 -6.928 7.018 1.00 0.40 O ATOM 0 H ASP A 117 -7.483 -3.714 7.740 1.00 0.10 H new ATOM 0 HA ASP A 117 -7.529 -6.283 8.818 1.00 0.12 H new ATOM 0 HB2 ASP A 117 -9.424 -4.691 8.806 1.00 0.16 H new ATOM 0 HB3 ASP A 117 -9.516 -4.775 7.058 1.00 0.16 H new ATOM 464 N THR A 118 -7.507 -6.211 5.537 1.00 0.11 N ATOM 465 CA THR A 118 -7.305 -7.035 4.365 1.00 0.11 C ATOM 466 C THR A 118 -5.843 -7.484 4.211 1.00 0.10 C ATOM 467 O THR A 118 -5.562 -8.679 4.110 1.00 0.12 O ATOM 468 CB THR A 118 -7.768 -6.287 3.105 1.00 0.13 C ATOM 469 OG1 THR A 118 -9.150 -5.930 3.245 1.00 0.22 O ATOM 470 CG2 THR A 118 -7.588 -7.144 1.865 1.00 0.17 C ATOM 0 H THR A 118 -7.577 -5.211 5.347 1.00 0.11 H new ATOM 0 HA THR A 118 -7.906 -7.935 4.495 1.00 0.11 H new ATOM 0 HB THR A 118 -7.160 -5.389 2.992 1.00 0.13 H new ATOM 0 HG1 THR A 118 -9.224 -5.115 3.784 1.00 0.22 H new ATOM 0 HG21 THR A 118 -7.923 -6.590 0.988 1.00 0.17 H new ATOM 0 HG22 THR A 118 -6.535 -7.402 1.751 1.00 0.17 H new ATOM 0 HG23 THR A 118 -8.176 -8.056 1.965 1.00 0.17 H new ATOM 478 N PHE A 119 -4.917 -6.529 4.226 1.00 0.08 N ATOM 479 CA PHE A 119 -3.511 -6.819 3.934 1.00 0.08 C ATOM 480 C PHE A 119 -2.828 -7.614 5.057 1.00 0.08 C ATOM 481 O PHE A 119 -1.889 -8.362 4.799 1.00 0.09 O ATOM 482 CB PHE A 119 -2.734 -5.536 3.593 1.00 0.08 C ATOM 483 CG PHE A 119 -3.150 -4.901 2.280 1.00 0.08 C ATOM 484 CD1 PHE A 119 -4.438 -4.425 2.111 1.00 0.10 C ATOM 485 CD2 PHE A 119 -2.255 -4.766 1.216 1.00 0.08 C ATOM 486 CE1 PHE A 119 -4.830 -3.835 0.930 1.00 0.11 C ATOM 487 CE2 PHE A 119 -2.647 -4.175 0.034 1.00 0.10 C ATOM 488 CZ PHE A 119 -3.937 -3.708 -0.110 1.00 0.09 C ATOM 0 H PHE A 119 -5.111 -5.550 4.436 1.00 0.08 H new ATOM 0 HA PHE A 119 -3.499 -7.459 3.052 1.00 0.08 H new ATOM 0 HB2 PHE A 119 -2.874 -4.813 4.396 1.00 0.08 H new ATOM 0 HB3 PHE A 119 -1.669 -5.766 3.554 1.00 0.08 H new ATOM 0 HD1 PHE A 119 -5.148 -4.518 2.919 1.00 0.10 H new ATOM 0 HD2 PHE A 119 -1.243 -5.129 1.321 1.00 0.08 H new ATOM 0 HE1 PHE A 119 -5.841 -3.471 0.819 1.00 0.11 H new ATOM 0 HE2 PHE A 119 -1.944 -4.078 -0.780 1.00 0.10 H new ATOM 0 HZ PHE A 119 -4.245 -3.244 -1.035 1.00 0.09 H new ATOM 498 N SER A 120 -3.296 -7.457 6.299 1.00 0.09 N ATOM 499 CA SER A 120 -2.686 -8.135 7.451 1.00 0.09 C ATOM 500 C SER A 120 -2.687 -9.654 7.268 1.00 0.08 C ATOM 501 O SER A 120 -1.813 -10.350 7.784 1.00 0.09 O ATOM 502 CB SER A 120 -3.401 -7.759 8.757 1.00 0.13 C ATOM 503 OG SER A 120 -2.810 -8.396 9.878 1.00 0.19 O ATOM 0 H SER A 120 -4.094 -6.867 6.534 1.00 0.09 H new ATOM 0 HA SER A 120 -1.651 -7.799 7.513 1.00 0.09 H new ATOM 0 HB2 SER A 120 -3.367 -6.678 8.893 1.00 0.13 H new ATOM 0 HB3 SER A 120 -4.452 -8.040 8.691 1.00 0.13 H new ATOM 0 HG SER A 120 -2.841 -7.794 10.650 1.00 0.19 H new ATOM 509 N ALA A 121 -3.676 -10.167 6.545 1.00 0.09 N ATOM 510 CA ALA A 121 -3.761 -11.597 6.261 1.00 0.11 C ATOM 511 C ALA A 121 -2.500 -12.101 5.552 1.00 0.11 C ATOM 512 O ALA A 121 -2.176 -13.287 5.611 1.00 0.13 O ATOM 513 CB ALA A 121 -4.989 -11.891 5.415 1.00 0.14 C ATOM 0 H ALA A 121 -4.433 -9.613 6.143 1.00 0.09 H new ATOM 0 HA ALA A 121 -3.846 -12.123 7.212 1.00 0.11 H new ATOM 0 HB1 ALA A 121 -5.042 -12.960 5.210 1.00 0.14 H new ATOM 0 HB2 ALA A 121 -5.884 -11.580 5.953 1.00 0.14 H new ATOM 0 HB3 ALA A 121 -4.923 -11.344 4.475 1.00 0.14 H new ATOM 519 N PHE A 122 -1.783 -11.192 4.903 1.00 0.08 N ATOM 520 CA PHE A 122 -0.588 -11.549 4.146 1.00 0.09 C ATOM 521 C PHE A 122 0.659 -11.456 5.017 1.00 0.10 C ATOM 522 O PHE A 122 1.692 -12.055 4.709 1.00 0.18 O ATOM 523 CB PHE A 122 -0.454 -10.632 2.930 1.00 0.09 C ATOM 524 CG PHE A 122 -1.710 -10.563 2.116 1.00 0.09 C ATOM 525 CD1 PHE A 122 -2.278 -11.711 1.593 1.00 0.13 C ATOM 526 CD2 PHE A 122 -2.304 -9.344 1.851 1.00 0.10 C ATOM 527 CE1 PHE A 122 -3.420 -11.643 0.820 1.00 0.16 C ATOM 528 CE2 PHE A 122 -3.446 -9.270 1.082 1.00 0.12 C ATOM 529 CZ PHE A 122 -4.065 -10.450 0.654 1.00 0.13 C ATOM 0 H PHE A 122 -2.009 -10.198 4.885 1.00 0.08 H new ATOM 0 HA PHE A 122 -0.687 -12.581 3.810 1.00 0.09 H new ATOM 0 HB2 PHE A 122 -0.187 -9.629 3.264 1.00 0.09 H new ATOM 0 HB3 PHE A 122 0.363 -10.987 2.301 1.00 0.09 H new ATOM 0 HD1 PHE A 122 -1.823 -12.670 1.791 1.00 0.13 H new ATOM 0 HD2 PHE A 122 -1.869 -8.440 2.250 1.00 0.10 H new ATOM 0 HE1 PHE A 122 -3.804 -12.534 0.346 1.00 0.16 H new ATOM 0 HE2 PHE A 122 -3.859 -8.309 0.812 1.00 0.12 H new ATOM 0 HZ PHE A 122 -5.043 -10.418 0.197 1.00 0.13 H new ATOM 539 N GLY A 123 0.552 -10.706 6.105 1.00 0.09 N ATOM 540 CA GLY A 123 1.663 -10.542 7.017 1.00 0.10 C ATOM 541 C GLY A 123 1.406 -9.423 8.001 1.00 0.09 C ATOM 542 O GLY A 123 0.454 -8.658 7.838 1.00 0.11 O ATOM 0 H GLY A 123 -0.294 -10.204 6.373 1.00 0.09 H new ATOM 0 HA2 GLY A 123 1.833 -11.473 7.558 1.00 0.10 H new ATOM 0 HA3 GLY A 123 2.571 -10.331 6.453 1.00 0.10 H new ATOM 546 N ASN A 124 2.246 -9.317 9.019 1.00 0.13 N ATOM 547 CA ASN A 124 2.086 -8.273 10.022 1.00 0.14 C ATOM 548 C ASN A 124 2.406 -6.915 9.414 1.00 0.11 C ATOM 549 O ASN A 124 3.312 -6.790 8.594 1.00 0.14 O ATOM 550 CB ASN A 124 2.983 -8.539 11.236 1.00 0.18 C ATOM 551 CG ASN A 124 2.826 -7.486 12.323 1.00 0.21 C ATOM 552 OD1 ASN A 124 1.749 -6.919 12.507 1.00 0.24 O ATOM 553 ND2 ASN A 124 3.898 -7.220 13.052 1.00 0.25 N ATOM 0 H ASN A 124 3.041 -9.937 9.173 1.00 0.13 H new ATOM 0 HA ASN A 124 1.050 -8.275 10.361 1.00 0.14 H new ATOM 0 HB2 ASN A 124 2.747 -9.520 11.649 1.00 0.18 H new ATOM 0 HB3 ASN A 124 4.024 -8.571 10.914 1.00 0.18 H new ATOM 0 HD21 ASN A 124 3.849 -6.524 13.796 1.00 0.25 H new ATOM 0 HD22 ASN A 124 4.773 -7.711 12.870 1.00 0.25 H new ATOM 560 N ILE A 125 1.647 -5.911 9.800 1.00 0.11 N ATOM 561 CA ILE A 125 1.832 -4.570 9.275 1.00 0.10 C ATOM 562 C ILE A 125 2.336 -3.637 10.372 1.00 0.11 C ATOM 563 O ILE A 125 1.842 -3.678 11.501 1.00 0.14 O ATOM 564 CB ILE A 125 0.510 -4.030 8.693 1.00 0.11 C ATOM 565 CG1 ILE A 125 0.022 -4.931 7.554 1.00 0.10 C ATOM 566 CG2 ILE A 125 0.681 -2.601 8.207 1.00 0.14 C ATOM 567 CD1 ILE A 125 -1.313 -4.514 6.974 1.00 0.11 C ATOM 0 H ILE A 125 0.891 -5.997 10.479 1.00 0.11 H new ATOM 0 HA ILE A 125 2.574 -4.613 8.478 1.00 0.10 H new ATOM 0 HB ILE A 125 -0.241 -4.033 9.483 1.00 0.11 H new ATOM 0 HG12 ILE A 125 0.768 -4.933 6.759 1.00 0.10 H new ATOM 0 HG13 ILE A 125 -0.055 -5.955 7.921 1.00 0.10 H new ATOM 0 HG21 ILE A 125 -0.263 -2.240 7.800 1.00 0.14 H new ATOM 0 HG22 ILE A 125 0.984 -1.967 9.040 1.00 0.14 H new ATOM 0 HG23 ILE A 125 1.446 -2.570 7.431 1.00 0.14 H new ATOM 0 HD11 ILE A 125 -1.592 -5.199 6.173 1.00 0.11 H new ATOM 0 HD12 ILE A 125 -2.073 -4.540 7.755 1.00 0.11 H new ATOM 0 HD13 ILE A 125 -1.237 -3.502 6.576 1.00 0.11 H new ATOM 579 N LEU A 126 3.326 -2.808 10.047 1.00 0.13 N ATOM 580 CA LEU A 126 3.874 -1.869 11.020 1.00 0.15 C ATOM 581 C LEU A 126 3.108 -0.559 10.916 1.00 0.16 C ATOM 582 O LEU A 126 2.765 0.067 11.920 1.00 0.24 O ATOM 583 CB LEU A 126 5.377 -1.599 10.796 1.00 0.19 C ATOM 584 CG LEU A 126 6.321 -2.813 10.684 1.00 0.21 C ATOM 585 CD1 LEU A 126 5.731 -4.071 11.295 1.00 0.53 C ATOM 586 CD2 LEU A 126 6.722 -3.040 9.239 1.00 0.54 C ATOM 0 H LEU A 126 3.761 -2.768 9.125 1.00 0.13 H new ATOM 0 HA LEU A 126 3.767 -2.311 12.011 1.00 0.15 H new ATOM 0 HB2 LEU A 126 5.479 -1.012 9.883 1.00 0.19 H new ATOM 0 HB3 LEU A 126 5.730 -0.976 11.617 1.00 0.19 H new ATOM 0 HG LEU A 126 7.215 -2.581 11.263 1.00 0.21 H new ATOM 0 HD11 LEU A 126 6.438 -4.894 11.188 1.00 0.53 H new ATOM 0 HD12 LEU A 126 5.529 -3.902 12.353 1.00 0.53 H new ATOM 0 HD13 LEU A 126 4.802 -4.322 10.784 1.00 0.53 H new ATOM 0 HD21 LEU A 126 7.388 -3.900 9.177 1.00 0.54 H new ATOM 0 HD22 LEU A 126 5.831 -3.227 8.639 1.00 0.54 H new ATOM 0 HD23 LEU A 126 7.235 -2.156 8.861 1.00 0.54 H new ATOM 598 N SER A 127 2.837 -0.158 9.682 1.00 0.14 N ATOM 599 CA SER A 127 2.045 1.025 9.418 1.00 0.17 C ATOM 600 C SER A 127 1.204 0.819 8.164 1.00 0.19 C ATOM 601 O SER A 127 1.720 0.424 7.119 1.00 0.37 O ATOM 602 CB SER A 127 2.946 2.254 9.253 1.00 0.19 C ATOM 603 OG SER A 127 3.757 2.163 8.097 1.00 0.76 O ATOM 0 H SER A 127 3.159 -0.642 8.844 1.00 0.14 H new ATOM 0 HA SER A 127 1.383 1.196 10.267 1.00 0.17 H new ATOM 0 HB2 SER A 127 2.329 3.151 9.194 1.00 0.19 H new ATOM 0 HB3 SER A 127 3.580 2.360 10.133 1.00 0.19 H new ATOM 0 HG SER A 127 4.316 2.965 8.025 1.00 0.76 H new ATOM 609 N CYS A 128 -0.088 1.038 8.273 1.00 0.18 N ATOM 610 CA CYS A 128 -0.962 0.978 7.120 1.00 0.17 C ATOM 611 C CYS A 128 -1.690 2.299 6.979 1.00 0.16 C ATOM 612 O CYS A 128 -2.455 2.693 7.858 1.00 0.28 O ATOM 613 CB CYS A 128 -1.957 -0.174 7.256 1.00 0.21 C ATOM 614 SG CYS A 128 -2.576 -0.411 8.937 1.00 0.72 S ATOM 0 H CYS A 128 -0.558 1.260 9.150 1.00 0.18 H new ATOM 0 HA CYS A 128 -0.366 0.798 6.226 1.00 0.17 H new ATOM 0 HB2 CYS A 128 -2.801 0.007 6.591 1.00 0.21 H new ATOM 0 HB3 CYS A 128 -1.480 -1.095 6.922 1.00 0.21 H new ATOM 0 HG CYS A 128 -3.872 -0.307 8.941 1.00 0.72 H new ATOM 620 N LYS A 129 -1.433 2.995 5.894 1.00 0.13 N ATOM 621 CA LYS A 129 -1.959 4.331 5.729 1.00 0.14 C ATOM 622 C LYS A 129 -2.891 4.417 4.532 1.00 0.12 C ATOM 623 O LYS A 129 -2.551 3.996 3.431 1.00 0.12 O ATOM 624 CB LYS A 129 -0.808 5.328 5.570 1.00 0.18 C ATOM 625 CG LYS A 129 -1.252 6.777 5.429 1.00 0.23 C ATOM 626 CD LYS A 129 -1.762 7.352 6.742 1.00 0.36 C ATOM 627 CE LYS A 129 -2.108 8.827 6.601 1.00 0.47 C ATOM 628 NZ LYS A 129 -2.621 9.401 7.871 1.00 1.00 N ATOM 0 H LYS A 129 -0.865 2.660 5.116 1.00 0.13 H new ATOM 0 HA LYS A 129 -2.535 4.579 6.620 1.00 0.14 H new ATOM 0 HB2 LYS A 129 -0.148 5.244 6.433 1.00 0.18 H new ATOM 0 HB3 LYS A 129 -0.222 5.052 4.693 1.00 0.18 H new ATOM 0 HG2 LYS A 129 -0.416 7.378 5.071 1.00 0.23 H new ATOM 0 HG3 LYS A 129 -2.037 6.843 4.676 1.00 0.23 H new ATOM 0 HD2 LYS A 129 -2.643 6.799 7.066 1.00 0.36 H new ATOM 0 HD3 LYS A 129 -1.004 7.226 7.516 1.00 0.36 H new ATOM 0 HE2 LYS A 129 -1.223 9.379 6.285 1.00 0.47 H new ATOM 0 HE3 LYS A 129 -2.857 8.951 5.818 1.00 0.47 H new ATOM 0 HZ1 LYS A 129 -2.845 10.407 7.732 1.00 1.00 H new ATOM 0 HZ2 LYS A 129 -3.481 8.892 8.160 1.00 1.00 H new ATOM 0 HZ3 LYS A 129 -1.897 9.307 8.612 1.00 1.00 H new ATOM 642 N VAL A 130 -4.068 4.953 4.773 1.00 0.15 N ATOM 643 CA VAL A 130 -5.003 5.302 3.731 1.00 0.17 C ATOM 644 C VAL A 130 -5.138 6.799 3.764 1.00 0.20 C ATOM 645 O VAL A 130 -5.692 7.362 4.711 1.00 0.24 O ATOM 646 CB VAL A 130 -6.403 4.674 3.926 1.00 0.21 C ATOM 647 CG1 VAL A 130 -7.347 5.115 2.812 1.00 0.28 C ATOM 648 CG2 VAL A 130 -6.321 3.160 3.975 1.00 0.21 C ATOM 0 H VAL A 130 -4.405 5.161 5.713 1.00 0.15 H new ATOM 0 HA VAL A 130 -4.625 4.923 2.782 1.00 0.17 H new ATOM 0 HB VAL A 130 -6.797 5.025 4.880 1.00 0.21 H new ATOM 0 HG11 VAL A 130 -8.327 4.663 2.966 1.00 0.28 H new ATOM 0 HG12 VAL A 130 -7.442 6.201 2.824 1.00 0.28 H new ATOM 0 HG13 VAL A 130 -6.948 4.796 1.849 1.00 0.28 H new ATOM 0 HG21 VAL A 130 -7.320 2.746 4.113 1.00 0.21 H new ATOM 0 HG22 VAL A 130 -5.900 2.788 3.041 1.00 0.21 H new ATOM 0 HG23 VAL A 130 -5.685 2.857 4.806 1.00 0.21 H new ATOM 658 N VAL A 131 -4.605 7.442 2.761 1.00 0.21 N ATOM 659 CA VAL A 131 -4.580 8.880 2.735 1.00 0.27 C ATOM 660 C VAL A 131 -5.966 9.380 2.381 1.00 0.33 C ATOM 661 O VAL A 131 -6.480 9.117 1.295 1.00 0.33 O ATOM 662 CB VAL A 131 -3.513 9.354 1.745 1.00 0.28 C ATOM 663 CG1 VAL A 131 -3.269 10.849 1.870 1.00 0.34 C ATOM 664 CG2 VAL A 131 -2.237 8.566 1.999 1.00 0.25 C ATOM 0 H VAL A 131 -4.181 6.992 1.949 1.00 0.21 H new ATOM 0 HA VAL A 131 -4.314 9.287 3.710 1.00 0.27 H new ATOM 0 HB VAL A 131 -3.857 9.177 0.726 1.00 0.28 H new ATOM 0 HG11 VAL A 131 -2.506 11.154 1.154 1.00 0.34 H new ATOM 0 HG12 VAL A 131 -4.195 11.387 1.666 1.00 0.34 H new ATOM 0 HG13 VAL A 131 -2.931 11.079 2.880 1.00 0.34 H new ATOM 0 HG21 VAL A 131 -1.464 8.890 1.302 1.00 0.25 H new ATOM 0 HG22 VAL A 131 -1.900 8.739 3.021 1.00 0.25 H new ATOM 0 HG23 VAL A 131 -2.431 7.503 1.856 1.00 0.25 H new ATOM 766 N GLY A 139 -7.778 8.091 -2.433 1.00 0.27 N ATOM 767 CA GLY A 139 -7.712 7.038 -3.423 1.00 0.26 C ATOM 768 C GLY A 139 -6.486 6.155 -3.301 1.00 0.21 C ATOM 769 O GLY A 139 -6.434 5.089 -3.902 1.00 0.31 O ATOM 0 HA2 GLY A 139 -8.604 6.417 -3.339 1.00 0.26 H new ATOM 0 HA3 GLY A 139 -7.728 7.486 -4.417 1.00 0.26 H new ATOM 773 N TYR A 140 -5.498 6.573 -2.530 1.00 0.19 N ATOM 774 CA TYR A 140 -4.253 5.820 -2.455 1.00 0.15 C ATOM 775 C TYR A 140 -3.822 5.568 -1.015 1.00 0.13 C ATOM 776 O TYR A 140 -4.149 6.337 -0.107 1.00 0.16 O ATOM 777 CB TYR A 140 -3.143 6.526 -3.246 1.00 0.19 C ATOM 778 CG TYR A 140 -2.968 7.996 -2.927 1.00 0.23 C ATOM 779 CD1 TYR A 140 -3.756 8.958 -3.550 1.00 0.26 C ATOM 780 CD2 TYR A 140 -2.003 8.423 -2.023 1.00 0.31 C ATOM 781 CE1 TYR A 140 -3.589 10.302 -3.277 1.00 0.34 C ATOM 782 CE2 TYR A 140 -1.828 9.766 -1.747 1.00 0.39 C ATOM 783 CZ TYR A 140 -2.623 10.701 -2.377 1.00 0.41 C ATOM 784 OH TYR A 140 -2.450 12.039 -2.108 1.00 0.49 O ATOM 0 H TYR A 140 -5.528 7.415 -1.955 1.00 0.19 H new ATOM 0 HA TYR A 140 -4.435 4.846 -2.909 1.00 0.15 H new ATOM 0 HB2 TYR A 140 -2.200 6.013 -3.057 1.00 0.19 H new ATOM 0 HB3 TYR A 140 -3.354 6.423 -4.310 1.00 0.19 H new ATOM 0 HD1 TYR A 140 -4.510 8.649 -4.258 1.00 0.26 H new ATOM 0 HD2 TYR A 140 -1.379 7.693 -1.528 1.00 0.31 H new ATOM 0 HE1 TYR A 140 -4.212 11.037 -3.766 1.00 0.34 H new ATOM 0 HE2 TYR A 140 -1.073 10.082 -1.042 1.00 0.39 H new ATOM 0 HH TYR A 140 -1.731 12.150 -1.452 1.00 0.49 H new ATOM 794 N GLY A 141 -3.088 4.478 -0.826 1.00 0.11 N ATOM 795 CA GLY A 141 -2.641 4.086 0.493 1.00 0.11 C ATOM 796 C GLY A 141 -1.283 3.411 0.458 1.00 0.10 C ATOM 797 O GLY A 141 -0.751 3.139 -0.618 1.00 0.12 O ATOM 0 H GLY A 141 -2.792 3.852 -1.575 1.00 0.11 H new ATOM 0 HA2 GLY A 141 -2.592 4.966 1.135 1.00 0.11 H new ATOM 0 HA3 GLY A 141 -3.371 3.408 0.936 1.00 0.11 H new ATOM 801 N PHE A 142 -0.725 3.137 1.633 1.00 0.10 N ATOM 802 CA PHE A 142 0.611 2.555 1.745 1.00 0.10 C ATOM 803 C PHE A 142 0.665 1.534 2.880 1.00 0.10 C ATOM 804 O PHE A 142 0.096 1.762 3.948 1.00 0.14 O ATOM 805 CB PHE A 142 1.644 3.648 2.010 1.00 0.12 C ATOM 806 CG PHE A 142 1.621 4.772 1.007 1.00 0.14 C ATOM 807 CD1 PHE A 142 2.170 4.602 -0.252 1.00 0.16 C ATOM 808 CD2 PHE A 142 1.044 5.997 1.322 1.00 0.21 C ATOM 809 CE1 PHE A 142 2.149 5.625 -1.179 1.00 0.19 C ATOM 810 CE2 PHE A 142 1.021 7.023 0.396 1.00 0.25 C ATOM 811 CZ PHE A 142 1.573 6.836 -0.854 1.00 0.22 C ATOM 0 H PHE A 142 -1.181 3.310 2.529 1.00 0.10 H new ATOM 0 HA PHE A 142 0.838 2.055 0.803 1.00 0.10 H new ATOM 0 HB2 PHE A 142 1.475 4.060 3.005 1.00 0.12 H new ATOM 0 HB3 PHE A 142 2.638 3.200 2.015 1.00 0.12 H new ATOM 0 HD1 PHE A 142 2.621 3.656 -0.513 1.00 0.16 H new ATOM 0 HD2 PHE A 142 0.610 6.148 2.299 1.00 0.21 H new ATOM 0 HE1 PHE A 142 2.583 5.478 -2.157 1.00 0.19 H new ATOM 0 HE2 PHE A 142 0.571 7.971 0.651 1.00 0.25 H new ATOM 0 HZ PHE A 142 1.554 7.637 -1.578 1.00 0.22 H new ATOM 821 N VAL A 143 1.334 0.408 2.647 1.00 0.08 N ATOM 822 CA VAL A 143 1.530 -0.594 3.694 1.00 0.08 C ATOM 823 C VAL A 143 3.006 -0.748 4.043 1.00 0.08 C ATOM 824 O VAL A 143 3.855 -0.875 3.158 1.00 0.09 O ATOM 825 CB VAL A 143 0.996 -1.983 3.275 1.00 0.08 C ATOM 826 CG1 VAL A 143 1.074 -2.982 4.427 1.00 0.07 C ATOM 827 CG2 VAL A 143 -0.423 -1.883 2.763 1.00 0.10 C ATOM 0 H VAL A 143 1.748 0.166 1.747 1.00 0.08 H new ATOM 0 HA VAL A 143 0.972 -0.235 4.559 1.00 0.08 H new ATOM 0 HB VAL A 143 1.632 -2.347 2.469 1.00 0.08 H new ATOM 0 HG11 VAL A 143 0.691 -3.948 4.098 1.00 0.07 H new ATOM 0 HG12 VAL A 143 2.111 -3.092 4.744 1.00 0.07 H new ATOM 0 HG13 VAL A 143 0.476 -2.620 5.263 1.00 0.07 H new ATOM 0 HG21 VAL A 143 -0.776 -2.873 2.474 1.00 0.10 H new ATOM 0 HG22 VAL A 143 -1.065 -1.483 3.547 1.00 0.10 H new ATOM 0 HG23 VAL A 143 -0.452 -1.221 1.897 1.00 0.10 H new ATOM 837 N HIS A 144 3.304 -0.706 5.330 1.00 0.09 N ATOM 838 CA HIS A 144 4.593 -1.149 5.830 1.00 0.10 C ATOM 839 C HIS A 144 4.451 -2.570 6.343 1.00 0.10 C ATOM 840 O HIS A 144 3.853 -2.783 7.396 1.00 0.11 O ATOM 841 CB HIS A 144 5.077 -0.266 6.980 1.00 0.12 C ATOM 842 CG HIS A 144 6.032 0.791 6.558 1.00 0.14 C ATOM 843 ND1 HIS A 144 7.038 1.276 7.363 1.00 0.18 N ATOM 844 CD2 HIS A 144 6.120 1.458 5.401 1.00 0.17 C ATOM 845 CE1 HIS A 144 7.704 2.207 6.713 1.00 0.21 C ATOM 846 NE2 HIS A 144 7.165 2.343 5.517 1.00 0.21 N ATOM 0 H HIS A 144 2.667 -0.368 6.051 1.00 0.09 H new ATOM 0 HA HIS A 144 5.317 -1.091 5.017 1.00 0.10 H new ATOM 0 HB2 HIS A 144 4.215 0.203 7.454 1.00 0.12 H new ATOM 0 HB3 HIS A 144 5.553 -0.894 7.733 1.00 0.12 H new ATOM 0 HD1 HIS A 144 7.236 0.963 8.313 1.00 0.18 H new ATOM 0 HD2 HIS A 144 5.487 1.325 4.536 1.00 0.17 H new ATOM 0 HE1 HIS A 144 8.547 2.764 7.094 1.00 0.21 H new ATOM 855 N PHE A 145 4.977 -3.538 5.622 1.00 0.10 N ATOM 856 CA PHE A 145 4.887 -4.917 6.068 1.00 0.10 C ATOM 857 C PHE A 145 6.073 -5.292 6.928 1.00 0.13 C ATOM 858 O PHE A 145 7.214 -4.958 6.616 1.00 0.17 O ATOM 859 CB PHE A 145 4.762 -5.884 4.892 1.00 0.10 C ATOM 860 CG PHE A 145 3.345 -6.188 4.510 1.00 0.09 C ATOM 861 CD1 PHE A 145 2.545 -6.962 5.328 1.00 0.10 C ATOM 862 CD2 PHE A 145 2.809 -5.685 3.336 1.00 0.09 C ATOM 863 CE1 PHE A 145 1.237 -7.233 4.983 1.00 0.11 C ATOM 864 CE2 PHE A 145 1.501 -5.951 2.987 1.00 0.10 C ATOM 865 CZ PHE A 145 0.729 -6.775 3.795 1.00 0.10 C ATOM 0 H PHE A 145 5.465 -3.402 4.737 1.00 0.10 H new ATOM 0 HA PHE A 145 3.982 -4.998 6.670 1.00 0.10 H new ATOM 0 HB2 PHE A 145 5.279 -5.462 4.030 1.00 0.10 H new ATOM 0 HB3 PHE A 145 5.269 -6.816 5.144 1.00 0.10 H new ATOM 0 HD1 PHE A 145 2.948 -7.359 6.248 1.00 0.10 H new ATOM 0 HD2 PHE A 145 3.422 -5.078 2.686 1.00 0.09 H new ATOM 0 HE1 PHE A 145 0.612 -7.807 5.651 1.00 0.11 H new ATOM 0 HE2 PHE A 145 1.080 -5.521 2.090 1.00 0.10 H new ATOM 0 HZ PHE A 145 -0.268 -7.054 3.489 1.00 0.10 H new ATOM 875 N GLU A 146 5.766 -5.979 8.020 1.00 0.13 N ATOM 876 CA GLU A 146 6.769 -6.477 8.967 1.00 0.17 C ATOM 877 C GLU A 146 7.897 -7.181 8.234 1.00 0.19 C ATOM 878 O GLU A 146 9.073 -7.050 8.579 1.00 0.22 O ATOM 879 CB GLU A 146 6.112 -7.462 9.937 1.00 0.22 C ATOM 880 CG GLU A 146 7.080 -8.137 10.894 1.00 0.30 C ATOM 881 CD GLU A 146 6.406 -9.204 11.725 1.00 0.37 C ATOM 882 OE1 GLU A 146 6.221 -10.331 11.219 1.00 0.57 O ATOM 883 OE2 GLU A 146 6.043 -8.917 12.885 1.00 0.38 O ATOM 0 H GLU A 146 4.808 -6.211 8.281 1.00 0.13 H new ATOM 0 HA GLU A 146 7.178 -5.628 9.514 1.00 0.17 H new ATOM 0 HB2 GLU A 146 5.356 -6.933 10.517 1.00 0.22 H new ATOM 0 HB3 GLU A 146 5.594 -8.229 9.362 1.00 0.22 H new ATOM 0 HG2 GLU A 146 7.898 -8.582 10.328 1.00 0.30 H new ATOM 0 HG3 GLU A 146 7.519 -7.388 11.553 1.00 0.30 H new ATOM 890 N THR A 147 7.516 -7.933 7.227 1.00 0.22 N ATOM 891 CA THR A 147 8.462 -8.679 6.429 1.00 0.26 C ATOM 892 C THR A 147 8.354 -8.290 4.958 1.00 0.23 C ATOM 893 O THR A 147 7.270 -7.966 4.464 1.00 0.21 O ATOM 894 CB THR A 147 8.248 -10.194 6.587 1.00 0.33 C ATOM 895 OG1 THR A 147 6.867 -10.524 6.389 1.00 0.40 O ATOM 896 CG2 THR A 147 8.691 -10.674 7.957 1.00 0.35 C ATOM 0 H THR A 147 6.544 -8.045 6.938 1.00 0.22 H new ATOM 0 HA THR A 147 9.462 -8.432 6.787 1.00 0.26 H new ATOM 0 HB THR A 147 8.855 -10.694 5.832 1.00 0.33 H new ATOM 0 HG1 THR A 147 6.744 -11.491 6.490 1.00 0.40 H new ATOM 0 HG21 THR A 147 8.527 -11.749 8.037 1.00 0.35 H new ATOM 0 HG22 THR A 147 9.751 -10.458 8.093 1.00 0.35 H new ATOM 0 HG23 THR A 147 8.114 -10.161 8.726 1.00 0.35 H new ATOM 904 N GLN A 148 9.484 -8.324 4.270 1.00 0.24 N ATOM 905 CA GLN A 148 9.553 -7.950 2.865 1.00 0.23 C ATOM 906 C GLN A 148 8.727 -8.906 1.997 1.00 0.21 C ATOM 907 O GLN A 148 8.072 -8.481 1.043 1.00 0.21 O ATOM 908 CB GLN A 148 11.022 -7.950 2.418 1.00 0.28 C ATOM 909 CG GLN A 148 11.252 -7.405 1.020 1.00 0.31 C ATOM 910 CD GLN A 148 10.809 -5.964 0.865 1.00 0.34 C ATOM 911 OE1 GLN A 148 11.575 -5.033 1.095 1.00 0.47 O ATOM 912 NE2 GLN A 148 9.565 -5.776 0.477 1.00 0.38 N ATOM 0 H GLN A 148 10.378 -8.611 4.668 1.00 0.24 H new ATOM 0 HA GLN A 148 9.133 -6.952 2.743 1.00 0.23 H new ATOM 0 HB2 GLN A 148 11.604 -7.360 3.125 1.00 0.28 H new ATOM 0 HB3 GLN A 148 11.403 -8.970 2.464 1.00 0.28 H new ATOM 0 HG2 GLN A 148 12.312 -7.482 0.776 1.00 0.31 H new ATOM 0 HG3 GLN A 148 10.714 -8.024 0.302 1.00 0.31 H new ATOM 0 HE21 GLN A 148 8.961 -6.577 0.296 1.00 0.38 H new ATOM 0 HE22 GLN A 148 9.206 -4.829 0.357 1.00 0.38 H new ATOM 921 N GLU A 149 8.753 -10.189 2.346 1.00 0.22 N ATOM 922 CA GLU A 149 8.032 -11.221 1.594 1.00 0.22 C ATOM 923 C GLU A 149 6.512 -11.063 1.707 1.00 0.18 C ATOM 924 O GLU A 149 5.785 -11.333 0.751 1.00 0.17 O ATOM 925 CB GLU A 149 8.471 -12.624 2.032 1.00 0.28 C ATOM 926 CG GLU A 149 8.175 -12.928 3.479 1.00 0.35 C ATOM 927 CD GLU A 149 8.625 -14.306 3.908 1.00 0.47 C ATOM 928 OE1 GLU A 149 9.821 -14.629 3.744 1.00 0.62 O ATOM 929 OE2 GLU A 149 7.774 -15.090 4.386 1.00 0.74 O ATOM 0 H GLU A 149 9.269 -10.545 3.151 1.00 0.22 H new ATOM 0 HA GLU A 149 8.290 -11.091 0.543 1.00 0.22 H new ATOM 0 HB2 GLU A 149 7.972 -13.363 1.405 1.00 0.28 H new ATOM 0 HB3 GLU A 149 9.542 -12.730 1.859 1.00 0.28 H new ATOM 0 HG2 GLU A 149 8.664 -12.183 4.106 1.00 0.35 H new ATOM 0 HG3 GLU A 149 7.103 -12.835 3.650 1.00 0.35 H new ATOM 936 N ALA A 150 6.034 -10.617 2.867 1.00 0.17 N ATOM 937 CA ALA A 150 4.601 -10.416 3.076 1.00 0.15 C ATOM 938 C ALA A 150 4.063 -9.341 2.141 1.00 0.13 C ATOM 939 O ALA A 150 2.935 -9.425 1.656 1.00 0.13 O ATOM 940 CB ALA A 150 4.329 -10.038 4.521 1.00 0.18 C ATOM 0 H ALA A 150 6.615 -10.389 3.674 1.00 0.17 H new ATOM 0 HA ALA A 150 4.088 -11.352 2.853 1.00 0.15 H new ATOM 0 HB1 ALA A 150 3.258 -9.891 4.663 1.00 0.18 H new ATOM 0 HB2 ALA A 150 4.676 -10.836 5.177 1.00 0.18 H new ATOM 0 HB3 ALA A 150 4.857 -9.115 4.761 1.00 0.18 H new ATOM 946 N ALA A 151 4.893 -8.341 1.883 1.00 0.13 N ATOM 947 CA ALA A 151 4.531 -7.244 0.999 1.00 0.13 C ATOM 948 C ALA A 151 4.279 -7.742 -0.413 1.00 0.12 C ATOM 949 O ALA A 151 3.299 -7.358 -1.051 1.00 0.13 O ATOM 950 CB ALA A 151 5.631 -6.207 0.998 1.00 0.16 C ATOM 0 H ALA A 151 5.831 -8.267 2.278 1.00 0.13 H new ATOM 0 HA ALA A 151 3.609 -6.793 1.366 1.00 0.13 H new ATOM 0 HB1 ALA A 151 5.357 -5.386 0.335 1.00 0.16 H new ATOM 0 HB2 ALA A 151 5.772 -5.825 2.009 1.00 0.16 H new ATOM 0 HB3 ALA A 151 6.559 -6.661 0.649 1.00 0.16 H new ATOM 956 N GLU A 152 5.164 -8.605 -0.889 1.00 0.13 N ATOM 957 CA GLU A 152 5.030 -9.181 -2.217 1.00 0.14 C ATOM 958 C GLU A 152 3.720 -9.945 -2.351 1.00 0.12 C ATOM 959 O GLU A 152 3.062 -9.871 -3.387 1.00 0.15 O ATOM 960 CB GLU A 152 6.209 -10.100 -2.518 1.00 0.18 C ATOM 961 CG GLU A 152 7.541 -9.376 -2.540 1.00 0.26 C ATOM 962 CD GLU A 152 8.672 -10.271 -2.989 1.00 0.75 C ATOM 963 OE1 GLU A 152 8.569 -10.855 -4.088 1.00 0.95 O ATOM 964 OE2 GLU A 152 9.675 -10.382 -2.256 1.00 1.42 O ATOM 0 H GLU A 152 5.985 -8.922 -0.373 1.00 0.13 H new ATOM 0 HA GLU A 152 5.024 -8.365 -2.940 1.00 0.14 H new ATOM 0 HB2 GLU A 152 6.245 -10.891 -1.769 1.00 0.18 H new ATOM 0 HB3 GLU A 152 6.049 -10.582 -3.483 1.00 0.18 H new ATOM 0 HG2 GLU A 152 7.474 -8.516 -3.207 1.00 0.26 H new ATOM 0 HG3 GLU A 152 7.759 -8.990 -1.544 1.00 0.26 H new ATOM 971 N ARG A 153 3.336 -10.661 -1.297 1.00 0.10 N ATOM 972 CA ARG A 153 2.068 -11.380 -1.285 1.00 0.12 C ATOM 973 C ARG A 153 0.902 -10.415 -1.442 1.00 0.11 C ATOM 974 O ARG A 153 -0.045 -10.687 -2.175 1.00 0.16 O ATOM 975 CB ARG A 153 1.894 -12.176 0.002 1.00 0.16 C ATOM 976 CG ARG A 153 2.941 -13.249 0.201 1.00 0.21 C ATOM 977 CD ARG A 153 2.696 -14.023 1.481 1.00 0.26 C ATOM 978 NE ARG A 153 3.811 -14.906 1.793 1.00 0.38 N ATOM 979 CZ ARG A 153 4.583 -14.763 2.862 1.00 0.80 C ATOM 980 NH1 ARG A 153 4.297 -13.840 3.773 1.00 1.48 N ATOM 981 NH2 ARG A 153 5.626 -15.560 3.024 1.00 0.84 N ATOM 0 H ARG A 153 3.885 -10.758 -0.443 1.00 0.10 H new ATOM 0 HA ARG A 153 2.080 -12.073 -2.126 1.00 0.12 H new ATOM 0 HB2 ARG A 153 1.924 -11.491 0.849 1.00 0.16 H new ATOM 0 HB3 ARG A 153 0.907 -12.639 0.001 1.00 0.16 H new ATOM 0 HG2 ARG A 153 2.931 -13.933 -0.648 1.00 0.21 H new ATOM 0 HG3 ARG A 153 3.931 -12.794 0.232 1.00 0.21 H new ATOM 0 HD2 ARG A 153 2.541 -13.326 2.305 1.00 0.26 H new ATOM 0 HD3 ARG A 153 1.782 -14.609 1.383 1.00 0.26 H new ATOM 0 HE ARG A 153 4.009 -15.677 1.155 1.00 0.38 H new ATOM 0 HH11 ARG A 153 3.482 -13.239 3.652 1.00 1.48 H new ATOM 0 HH12 ARG A 153 4.892 -13.732 4.594 1.00 1.48 H new ATOM 0 HH21 ARG A 153 5.832 -16.278 2.330 1.00 0.84 H new ATOM 0 HH22 ARG A 153 6.225 -15.456 3.843 1.00 0.84 H new ATOM 995 N ALA A 154 0.979 -9.284 -0.753 1.00 0.09 N ATOM 996 CA ALA A 154 -0.051 -8.262 -0.862 1.00 0.09 C ATOM 997 C ALA A 154 -0.102 -7.715 -2.285 1.00 0.09 C ATOM 998 O ALA A 154 -1.176 -7.456 -2.821 1.00 0.10 O ATOM 999 CB ALA A 154 0.191 -7.144 0.144 1.00 0.10 C ATOM 0 H ALA A 154 1.741 -9.053 -0.116 1.00 0.09 H new ATOM 0 HA ALA A 154 -1.016 -8.714 -0.633 1.00 0.09 H new ATOM 0 HB1 ALA A 154 -0.590 -6.390 0.046 1.00 0.10 H new ATOM 0 HB2 ALA A 154 0.175 -7.554 1.154 1.00 0.10 H new ATOM 0 HB3 ALA A 154 1.162 -6.687 -0.047 1.00 0.10 H new ATOM 1005 N ILE A 155 1.066 -7.566 -2.897 1.00 0.09 N ATOM 1006 CA ILE A 155 1.156 -7.102 -4.277 1.00 0.10 C ATOM 1007 C ILE A 155 0.455 -8.065 -5.231 1.00 0.11 C ATOM 1008 O ILE A 155 -0.426 -7.664 -5.986 1.00 0.14 O ATOM 1009 CB ILE A 155 2.625 -6.930 -4.718 1.00 0.11 C ATOM 1010 CG1 ILE A 155 3.315 -5.881 -3.849 1.00 0.12 C ATOM 1011 CG2 ILE A 155 2.705 -6.543 -6.192 1.00 0.14 C ATOM 1012 CD1 ILE A 155 4.790 -5.731 -4.132 1.00 0.15 C ATOM 0 H ILE A 155 1.966 -7.760 -2.459 1.00 0.09 H new ATOM 0 HA ILE A 155 0.658 -6.133 -4.318 1.00 0.10 H new ATOM 0 HB ILE A 155 3.139 -7.883 -4.590 1.00 0.11 H new ATOM 0 HG12 ILE A 155 2.826 -4.919 -4.000 1.00 0.12 H new ATOM 0 HG13 ILE A 155 3.181 -6.146 -2.800 1.00 0.12 H new ATOM 0 HG21 ILE A 155 3.749 -6.427 -6.482 1.00 0.14 H new ATOM 0 HG22 ILE A 155 2.245 -7.323 -6.798 1.00 0.14 H new ATOM 0 HG23 ILE A 155 2.178 -5.602 -6.350 1.00 0.14 H new ATOM 0 HD11 ILE A 155 5.211 -4.968 -3.476 1.00 0.15 H new ATOM 0 HD12 ILE A 155 5.293 -6.681 -3.953 1.00 0.15 H new ATOM 0 HD13 ILE A 155 4.933 -5.435 -5.171 1.00 0.15 H new ATOM 1024 N GLU A 156 0.827 -9.335 -5.186 1.00 0.11 N ATOM 1025 CA GLU A 156 0.233 -10.323 -6.076 1.00 0.13 C ATOM 1026 C GLU A 156 -1.252 -10.501 -5.807 1.00 0.12 C ATOM 1027 O GLU A 156 -2.065 -10.555 -6.732 1.00 0.15 O ATOM 1028 CB GLU A 156 0.935 -11.684 -5.980 1.00 0.17 C ATOM 1029 CG GLU A 156 1.385 -12.075 -4.584 1.00 0.21 C ATOM 1030 CD GLU A 156 1.755 -13.538 -4.481 1.00 0.62 C ATOM 1031 OE1 GLU A 156 0.839 -14.387 -4.514 1.00 1.08 O ATOM 1032 OE2 GLU A 156 2.958 -13.848 -4.370 1.00 0.63 O ATOM 0 H GLU A 156 1.532 -9.705 -4.548 1.00 0.11 H new ATOM 0 HA GLU A 156 0.366 -9.936 -7.086 1.00 0.13 H new ATOM 0 HB2 GLU A 156 0.259 -12.452 -6.356 1.00 0.17 H new ATOM 0 HB3 GLU A 156 1.805 -11.675 -6.637 1.00 0.17 H new ATOM 0 HG2 GLU A 156 2.243 -11.466 -4.299 1.00 0.21 H new ATOM 0 HG3 GLU A 156 0.588 -11.855 -3.874 1.00 0.21 H new ATOM 1039 N LYS A 157 -1.599 -10.580 -4.543 1.00 0.09 N ATOM 1040 CA LYS A 157 -2.946 -10.924 -4.150 1.00 0.10 C ATOM 1041 C LYS A 157 -3.922 -9.753 -4.280 1.00 0.08 C ATOM 1042 O LYS A 157 -5.058 -9.941 -4.712 1.00 0.10 O ATOM 1043 CB LYS A 157 -2.949 -11.448 -2.713 1.00 0.12 C ATOM 1044 CG LYS A 157 -3.729 -12.743 -2.556 1.00 0.17 C ATOM 1045 CD LYS A 157 -5.119 -12.640 -3.172 1.00 0.21 C ATOM 1046 CE LYS A 157 -6.164 -12.096 -2.201 1.00 0.29 C ATOM 1047 NZ LYS A 157 -6.425 -13.025 -1.071 1.00 1.16 N ATOM 0 H LYS A 157 -0.962 -10.409 -3.765 1.00 0.09 H new ATOM 0 HA LYS A 157 -3.289 -11.700 -4.834 1.00 0.10 H new ATOM 0 HB2 LYS A 157 -1.921 -11.608 -2.388 1.00 0.12 H new ATOM 0 HB3 LYS A 157 -3.377 -10.690 -2.056 1.00 0.12 H new ATOM 0 HG2 LYS A 157 -3.181 -13.558 -3.028 1.00 0.17 H new ATOM 0 HG3 LYS A 157 -3.817 -12.989 -1.498 1.00 0.17 H new ATOM 0 HD2 LYS A 157 -5.075 -11.994 -4.049 1.00 0.21 H new ATOM 0 HD3 LYS A 157 -5.431 -13.626 -3.518 1.00 0.21 H new ATOM 0 HE2 LYS A 157 -5.827 -11.137 -1.809 1.00 0.29 H new ATOM 0 HE3 LYS A 157 -7.094 -11.911 -2.738 1.00 0.29 H new ATOM 0 HZ1 LYS A 157 -7.336 -12.787 -0.629 1.00 1.16 H new ATOM 0 HZ2 LYS A 157 -6.457 -14.002 -1.425 1.00 1.16 H new ATOM 0 HZ3 LYS A 157 -5.665 -12.937 -0.366 1.00 1.16 H new ATOM 1061 N MET A 158 -3.488 -8.554 -3.942 1.00 0.07 N ATOM 1062 CA MET A 158 -4.410 -7.421 -3.879 1.00 0.08 C ATOM 1063 C MET A 158 -4.439 -6.611 -5.162 1.00 0.09 C ATOM 1064 O MET A 158 -5.450 -5.980 -5.471 1.00 0.13 O ATOM 1065 CB MET A 158 -4.079 -6.505 -2.702 1.00 0.09 C ATOM 1066 CG MET A 158 -4.203 -7.192 -1.359 1.00 0.10 C ATOM 1067 SD MET A 158 -5.790 -8.024 -1.160 1.00 0.35 S ATOM 1068 CE MET A 158 -6.916 -6.666 -1.460 1.00 0.18 C ATOM 0 H MET A 158 -2.520 -8.334 -3.709 1.00 0.07 H new ATOM 0 HA MET A 158 -5.402 -7.850 -3.738 1.00 0.08 H new ATOM 0 HB2 MET A 158 -3.063 -6.128 -2.818 1.00 0.09 H new ATOM 0 HB3 MET A 158 -4.744 -5.641 -2.724 1.00 0.09 H new ATOM 0 HG2 MET A 158 -3.398 -7.919 -1.249 1.00 0.10 H new ATOM 0 HG3 MET A 158 -4.079 -6.456 -0.564 1.00 0.10 H new ATOM 0 HE1 MET A 158 -7.930 -6.970 -1.201 1.00 0.18 H new ATOM 0 HE2 MET A 158 -6.626 -5.811 -0.849 1.00 0.18 H new ATOM 0 HE3 MET A 158 -6.878 -6.388 -2.513 1.00 0.18 H new ATOM 1078 N ASN A 159 -3.345 -6.615 -5.906 1.00 0.09 N ATOM 1079 CA ASN A 159 -3.274 -5.825 -7.126 1.00 0.10 C ATOM 1080 C ASN A 159 -4.283 -6.333 -8.152 1.00 0.13 C ATOM 1081 O ASN A 159 -4.279 -7.512 -8.508 1.00 0.16 O ATOM 1082 CB ASN A 159 -1.864 -5.881 -7.716 1.00 0.14 C ATOM 1083 CG ASN A 159 -1.700 -4.990 -8.935 1.00 0.16 C ATOM 1084 OD1 ASN A 159 -2.422 -4.009 -9.099 1.00 0.44 O ATOM 1085 ND2 ASN A 159 -0.727 -5.303 -9.779 1.00 0.38 N ATOM 0 H ASN A 159 -2.503 -7.149 -5.691 1.00 0.09 H new ATOM 0 HA ASN A 159 -3.514 -4.791 -6.877 1.00 0.10 H new ATOM 0 HB2 ASN A 159 -1.144 -5.582 -6.954 1.00 0.14 H new ATOM 0 HB3 ASN A 159 -1.630 -6.910 -7.990 1.00 0.14 H new ATOM 0 HD21 ASN A 159 -0.556 -4.721 -10.599 1.00 0.38 H new ATOM 0 HD22 ASN A 159 -0.149 -6.126 -9.608 1.00 0.38 H new ATOM 1092 N GLY A 160 -5.147 -5.440 -8.617 1.00 0.14 N ATOM 1093 CA GLY A 160 -6.112 -5.794 -9.640 1.00 0.19 C ATOM 1094 C GLY A 160 -7.405 -6.347 -9.078 1.00 0.22 C ATOM 1095 O GLY A 160 -8.194 -6.948 -9.810 1.00 0.29 O ATOM 0 H GLY A 160 -5.197 -4.471 -8.302 1.00 0.14 H new ATOM 0 HA2 GLY A 160 -6.333 -4.912 -10.242 1.00 0.19 H new ATOM 0 HA3 GLY A 160 -5.669 -6.533 -10.308 1.00 0.19 H new ATOM 1099 N MET A 161 -7.632 -6.147 -7.787 1.00 0.22 N ATOM 1100 CA MET A 161 -8.834 -6.637 -7.144 1.00 0.27 C ATOM 1101 C MET A 161 -9.775 -5.506 -6.771 1.00 0.24 C ATOM 1102 O MET A 161 -9.366 -4.355 -6.679 1.00 0.23 O ATOM 1103 CB MET A 161 -8.480 -7.397 -5.888 1.00 0.32 C ATOM 1104 CG MET A 161 -7.607 -8.621 -6.107 1.00 0.68 C ATOM 1105 SD MET A 161 -8.148 -9.662 -7.481 1.00 1.18 S ATOM 1106 CE MET A 161 -9.796 -10.115 -6.952 1.00 1.04 C ATOM 0 H MET A 161 -6.995 -5.647 -7.167 1.00 0.22 H new ATOM 0 HA MET A 161 -9.335 -7.291 -7.858 1.00 0.27 H new ATOM 0 HB2 MET A 161 -7.968 -6.721 -5.204 1.00 0.32 H new ATOM 0 HB3 MET A 161 -9.402 -7.709 -5.397 1.00 0.32 H new ATOM 0 HG2 MET A 161 -6.582 -8.298 -6.289 1.00 0.68 H new ATOM 0 HG3 MET A 161 -7.596 -9.216 -5.194 1.00 0.68 H new ATOM 0 HE1 MET A 161 -10.228 -10.815 -7.667 1.00 1.04 H new ATOM 0 HE2 MET A 161 -9.747 -10.584 -5.969 1.00 1.04 H new ATOM 0 HE3 MET A 161 -10.419 -9.222 -6.897 1.00 1.04 H new ATOM 1116 N LEU A 162 -11.026 -5.859 -6.515 1.00 0.26 N ATOM 1117 CA LEU A 162 -12.033 -4.899 -6.089 1.00 0.26 C ATOM 1118 C LEU A 162 -12.178 -4.986 -4.584 1.00 0.28 C ATOM 1119 O LEU A 162 -12.764 -5.936 -4.070 1.00 0.44 O ATOM 1120 CB LEU A 162 -13.399 -5.189 -6.727 1.00 0.31 C ATOM 1121 CG LEU A 162 -13.508 -4.980 -8.238 1.00 0.34 C ATOM 1122 CD1 LEU A 162 -14.863 -5.454 -8.727 1.00 0.42 C ATOM 1123 CD2 LEU A 162 -13.325 -3.516 -8.594 1.00 0.34 C ATOM 0 H LEU A 162 -11.371 -6.816 -6.596 1.00 0.26 H new ATOM 0 HA LEU A 162 -11.711 -3.906 -6.402 1.00 0.26 H new ATOM 0 HB2 LEU A 162 -13.665 -6.223 -6.506 1.00 0.31 H new ATOM 0 HB3 LEU A 162 -14.143 -4.557 -6.241 1.00 0.31 H new ATOM 0 HG LEU A 162 -12.721 -5.558 -8.722 1.00 0.34 H new ATOM 0 HD11 LEU A 162 -14.935 -5.302 -9.804 1.00 0.42 H new ATOM 0 HD12 LEU A 162 -14.981 -6.514 -8.501 1.00 0.42 H new ATOM 0 HD13 LEU A 162 -15.649 -4.887 -8.228 1.00 0.42 H new ATOM 0 HD21 LEU A 162 -13.406 -3.391 -9.674 1.00 0.34 H new ATOM 0 HD22 LEU A 162 -14.095 -2.923 -8.101 1.00 0.34 H new ATOM 0 HD23 LEU A 162 -12.342 -3.181 -8.263 1.00 0.34 H new ATOM 1135 N LEU A 163 -11.641 -4.019 -3.867 1.00 0.25 N ATOM 1136 CA LEU A 163 -11.710 -4.062 -2.413 1.00 0.33 C ATOM 1137 C LEU A 163 -12.992 -3.409 -1.892 1.00 0.45 C ATOM 1138 O LEU A 163 -13.070 -3.009 -0.729 1.00 1.02 O ATOM 1139 CB LEU A 163 -10.475 -3.395 -1.803 1.00 0.29 C ATOM 1140 CG LEU A 163 -9.588 -4.321 -0.978 1.00 0.31 C ATOM 1141 CD1 LEU A 163 -8.443 -3.543 -0.354 1.00 0.31 C ATOM 1142 CD2 LEU A 163 -10.403 -5.021 0.098 1.00 0.34 C ATOM 0 H LEU A 163 -11.160 -3.207 -4.254 1.00 0.25 H new ATOM 0 HA LEU A 163 -11.729 -5.108 -2.109 1.00 0.33 H new ATOM 0 HB2 LEU A 163 -9.878 -2.965 -2.607 1.00 0.29 H new ATOM 0 HB3 LEU A 163 -10.801 -2.569 -1.171 1.00 0.29 H new ATOM 0 HG LEU A 163 -9.170 -5.078 -1.641 1.00 0.31 H new ATOM 0 HD11 LEU A 163 -7.820 -4.219 0.231 1.00 0.31 H new ATOM 0 HD12 LEU A 163 -7.843 -3.086 -1.140 1.00 0.31 H new ATOM 0 HD13 LEU A 163 -8.843 -2.765 0.296 1.00 0.31 H new ATOM 0 HD21 LEU A 163 -9.754 -5.678 0.677 1.00 0.34 H new ATOM 0 HD22 LEU A 163 -10.849 -4.277 0.759 1.00 0.34 H new ATOM 0 HD23 LEU A 163 -11.192 -5.611 -0.369 1.00 0.34 H new ATOM 1154 N ASN A 164 -13.996 -3.347 -2.761 1.00 0.41 N ATOM 1155 CA ASN A 164 -15.267 -2.677 -2.496 1.00 0.42 C ATOM 1156 C ASN A 164 -16.068 -2.632 -3.787 1.00 0.45 C ATOM 1157 O ASN A 164 -16.947 -3.459 -4.032 1.00 0.72 O ATOM 1158 CB ASN A 164 -15.082 -1.250 -1.917 1.00 0.49 C ATOM 1159 CG ASN A 164 -13.922 -0.475 -2.501 1.00 1.06 C ATOM 1160 OD1 ASN A 164 -13.984 0.033 -3.614 1.00 1.71 O ATOM 1161 ND2 ASN A 164 -12.879 -0.325 -1.715 1.00 1.07 N ATOM 0 H ASN A 164 -13.949 -3.769 -3.688 1.00 0.41 H new ATOM 0 HA ASN A 164 -15.802 -3.245 -1.735 1.00 0.42 H new ATOM 0 HB2 ASN A 164 -15.999 -0.684 -2.082 1.00 0.49 H new ATOM 0 HB3 ASN A 164 -14.944 -1.326 -0.838 1.00 0.49 H new ATOM 0 HD21 ASN A 164 -12.082 0.231 -2.025 1.00 1.07 H new ATOM 0 HD22 ASN A 164 -12.866 -0.765 -0.795 1.00 1.07 H new ATOM 1168 N ASP A 165 -15.726 -1.673 -4.601 1.00 0.42 N ATOM 1169 CA ASP A 165 -16.217 -1.554 -5.955 1.00 0.44 C ATOM 1170 C ASP A 165 -15.149 -0.865 -6.801 1.00 0.43 C ATOM 1171 O ASP A 165 -15.397 -0.376 -7.903 1.00 0.65 O ATOM 1172 CB ASP A 165 -17.539 -0.776 -5.993 1.00 0.55 C ATOM 1173 CG ASP A 165 -18.172 -0.776 -7.371 1.00 0.71 C ATOM 1174 OD1 ASP A 165 -18.449 -1.871 -7.904 1.00 0.82 O ATOM 1175 OD2 ASP A 165 -18.396 0.323 -7.922 1.00 0.85 O ATOM 0 H ASP A 165 -15.080 -0.929 -4.338 1.00 0.42 H new ATOM 0 HA ASP A 165 -16.418 -2.546 -6.360 1.00 0.44 H new ATOM 0 HB2 ASP A 165 -18.235 -1.213 -5.277 1.00 0.55 H new ATOM 0 HB3 ASP A 165 -17.361 0.252 -5.678 1.00 0.55 H new ATOM 1180 N ARG A 166 -13.934 -0.863 -6.271 1.00 0.32 N ATOM 1181 CA ARG A 166 -12.818 -0.182 -6.893 1.00 0.27 C ATOM 1182 C ARG A 166 -11.620 -1.114 -6.960 1.00 0.24 C ATOM 1183 O ARG A 166 -11.234 -1.714 -5.953 1.00 0.24 O ATOM 1184 CB ARG A 166 -12.457 1.084 -6.111 1.00 0.24 C ATOM 1185 CG ARG A 166 -13.525 2.164 -6.154 1.00 0.27 C ATOM 1186 CD ARG A 166 -13.049 3.423 -5.456 1.00 0.27 C ATOM 1187 NE ARG A 166 -14.044 4.495 -5.486 1.00 0.42 N ATOM 1188 CZ ARG A 166 -13.753 5.781 -5.295 1.00 0.58 C ATOM 1189 NH1 ARG A 166 -12.499 6.148 -5.051 1.00 0.96 N ATOM 1190 NH2 ARG A 166 -14.715 6.696 -5.333 1.00 0.70 N ATOM 0 H ARG A 166 -13.699 -1.335 -5.398 1.00 0.32 H new ATOM 0 HA ARG A 166 -13.104 0.108 -7.904 1.00 0.27 H new ATOM 0 HB2 ARG A 166 -12.269 0.815 -5.072 1.00 0.24 H new ATOM 0 HB3 ARG A 166 -11.527 1.491 -6.508 1.00 0.24 H new ATOM 0 HG2 ARG A 166 -13.777 2.391 -7.190 1.00 0.27 H new ATOM 0 HG3 ARG A 166 -14.435 1.801 -5.677 1.00 0.27 H new ATOM 0 HD2 ARG A 166 -12.804 3.189 -4.420 1.00 0.27 H new ATOM 0 HD3 ARG A 166 -12.131 3.771 -5.930 1.00 0.27 H new ATOM 0 HE ARG A 166 -15.016 4.243 -5.663 1.00 0.42 H new ATOM 0 HH11 ARG A 166 -11.761 5.445 -5.010 1.00 0.96 H new ATOM 0 HH12 ARG A 166 -12.275 7.132 -4.905 1.00 0.96 H new ATOM 0 HH21 ARG A 166 -15.680 6.415 -5.509 1.00 0.70 H new ATOM 0 HH22 ARG A 166 -14.489 7.680 -5.186 1.00 0.70 H new ATOM 1204 N LYS A 167 -11.067 -1.256 -8.153 1.00 0.22 N ATOM 1205 CA LYS A 167 -9.906 -2.108 -8.373 1.00 0.20 C ATOM 1206 C LYS A 167 -8.657 -1.411 -7.863 1.00 0.17 C ATOM 1207 O LYS A 167 -8.321 -0.326 -8.323 1.00 0.22 O ATOM 1208 CB LYS A 167 -9.759 -2.410 -9.865 1.00 0.23 C ATOM 1209 CG LYS A 167 -9.792 -3.889 -10.205 1.00 0.40 C ATOM 1210 CD LYS A 167 -9.807 -4.107 -11.707 1.00 0.47 C ATOM 1211 CE LYS A 167 -10.075 -5.560 -12.052 1.00 0.53 C ATOM 1212 NZ LYS A 167 -10.050 -5.791 -13.519 1.00 1.00 N ATOM 0 H LYS A 167 -11.406 -0.788 -8.993 1.00 0.22 H new ATOM 0 HA LYS A 167 -10.041 -3.045 -7.832 1.00 0.20 H new ATOM 0 HB2 LYS A 167 -10.559 -1.906 -10.407 1.00 0.23 H new ATOM 0 HB3 LYS A 167 -8.819 -1.988 -10.219 1.00 0.23 H new ATOM 0 HG2 LYS A 167 -8.923 -4.384 -9.772 1.00 0.40 H new ATOM 0 HG3 LYS A 167 -10.675 -4.348 -9.760 1.00 0.40 H new ATOM 0 HD2 LYS A 167 -10.572 -3.477 -12.160 1.00 0.47 H new ATOM 0 HD3 LYS A 167 -8.850 -3.801 -12.130 1.00 0.47 H new ATOM 0 HE2 LYS A 167 -9.328 -6.192 -11.572 1.00 0.53 H new ATOM 0 HE3 LYS A 167 -11.046 -5.855 -11.654 1.00 0.53 H new ATOM 0 HZ1 LYS A 167 -10.237 -6.795 -13.716 1.00 1.00 H new ATOM 0 HZ2 LYS A 167 -10.780 -5.207 -13.975 1.00 1.00 H new ATOM 0 HZ3 LYS A 167 -9.115 -5.533 -13.895 1.00 1.00 H new ATOM 1226 N VAL A 168 -7.958 -2.039 -6.941 1.00 0.13 N ATOM 1227 CA VAL A 168 -6.818 -1.401 -6.309 1.00 0.12 C ATOM 1228 C VAL A 168 -5.517 -1.905 -6.902 1.00 0.11 C ATOM 1229 O VAL A 168 -5.383 -3.081 -7.244 1.00 0.13 O ATOM 1230 CB VAL A 168 -6.801 -1.617 -4.780 1.00 0.13 C ATOM 1231 CG1 VAL A 168 -7.946 -0.868 -4.122 1.00 0.17 C ATOM 1232 CG2 VAL A 168 -6.860 -3.098 -4.430 1.00 0.13 C ATOM 0 H VAL A 168 -8.156 -2.984 -6.613 1.00 0.13 H new ATOM 0 HA VAL A 168 -6.916 -0.332 -6.501 1.00 0.12 H new ATOM 0 HB VAL A 168 -5.861 -1.220 -4.398 1.00 0.13 H new ATOM 0 HG11 VAL A 168 -7.917 -1.033 -3.045 1.00 0.17 H new ATOM 0 HG12 VAL A 168 -7.850 0.198 -4.329 1.00 0.17 H new ATOM 0 HG13 VAL A 168 -8.894 -1.231 -4.519 1.00 0.17 H new ATOM 0 HG21 VAL A 168 -6.846 -3.217 -3.347 1.00 0.13 H new ATOM 0 HG22 VAL A 168 -7.777 -3.530 -4.831 1.00 0.13 H new ATOM 0 HG23 VAL A 168 -5.999 -3.608 -4.862 1.00 0.13 H new ATOM 1242 N PHE A 169 -4.572 -0.995 -7.042 1.00 0.11 N ATOM 1243 CA PHE A 169 -3.280 -1.316 -7.601 1.00 0.12 C ATOM 1244 C PHE A 169 -2.242 -1.343 -6.495 1.00 0.10 C ATOM 1245 O PHE A 169 -2.007 -0.334 -5.840 1.00 0.12 O ATOM 1246 CB PHE A 169 -2.904 -0.280 -8.670 1.00 0.18 C ATOM 1247 CG PHE A 169 -1.556 -0.504 -9.291 1.00 0.14 C ATOM 1248 CD1 PHE A 169 -1.415 -1.349 -10.377 1.00 0.25 C ATOM 1249 CD2 PHE A 169 -0.433 0.134 -8.791 1.00 0.18 C ATOM 1250 CE1 PHE A 169 -0.178 -1.554 -10.957 1.00 0.30 C ATOM 1251 CE2 PHE A 169 0.806 -0.065 -9.367 1.00 0.23 C ATOM 1252 CZ PHE A 169 0.943 -0.924 -10.426 1.00 0.26 C ATOM 0 H PHE A 169 -4.681 -0.018 -6.772 1.00 0.11 H new ATOM 0 HA PHE A 169 -3.318 -2.299 -8.070 1.00 0.12 H new ATOM 0 HB2 PHE A 169 -3.660 -0.292 -9.455 1.00 0.18 H new ATOM 0 HB3 PHE A 169 -2.925 0.713 -8.222 1.00 0.18 H new ATOM 0 HD1 PHE A 169 -2.282 -1.854 -10.776 1.00 0.25 H new ATOM 0 HD2 PHE A 169 -0.527 0.794 -7.942 1.00 0.18 H new ATOM 0 HE1 PHE A 169 -0.082 -2.199 -11.818 1.00 0.30 H new ATOM 0 HE2 PHE A 169 1.669 0.458 -8.982 1.00 0.23 H new ATOM 0 HZ PHE A 169 1.919 -1.112 -10.848 1.00 0.26 H new ATOM 1262 N VAL A 170 -1.633 -2.495 -6.287 1.00 0.09 N ATOM 1263 CA VAL A 170 -0.604 -2.634 -5.269 1.00 0.10 C ATOM 1264 C VAL A 170 0.723 -2.950 -5.937 1.00 0.11 C ATOM 1265 O VAL A 170 0.825 -3.902 -6.710 1.00 0.13 O ATOM 1266 CB VAL A 170 -0.927 -3.756 -4.247 1.00 0.10 C ATOM 1267 CG1 VAL A 170 0.104 -3.783 -3.131 1.00 0.11 C ATOM 1268 CG2 VAL A 170 -2.324 -3.603 -3.665 1.00 0.09 C ATOM 0 H VAL A 170 -1.832 -3.349 -6.808 1.00 0.09 H new ATOM 0 HA VAL A 170 -0.556 -1.690 -4.726 1.00 0.10 H new ATOM 0 HB VAL A 170 -0.890 -4.703 -4.786 1.00 0.10 H new ATOM 0 HG11 VAL A 170 -0.143 -4.577 -2.427 1.00 0.11 H new ATOM 0 HG12 VAL A 170 1.092 -3.966 -3.553 1.00 0.11 H new ATOM 0 HG13 VAL A 170 0.103 -2.825 -2.612 1.00 0.11 H new ATOM 0 HG21 VAL A 170 -2.512 -4.408 -2.954 1.00 0.09 H new ATOM 0 HG22 VAL A 170 -2.403 -2.643 -3.155 1.00 0.09 H new ATOM 0 HG23 VAL A 170 -3.060 -3.649 -4.468 1.00 0.09 H new ATOM 1278 N GLY A 171 1.730 -2.143 -5.648 1.00 0.12 N ATOM 1279 CA GLY A 171 3.034 -2.350 -6.238 1.00 0.14 C ATOM 1280 C GLY A 171 4.153 -2.072 -5.259 1.00 0.14 C ATOM 1281 O GLY A 171 3.906 -1.858 -4.072 1.00 0.18 O ATOM 0 H GLY A 171 1.667 -1.346 -5.014 1.00 0.12 H new ATOM 0 HA2 GLY A 171 3.111 -3.377 -6.594 1.00 0.14 H new ATOM 0 HA3 GLY A 171 3.145 -1.702 -7.108 1.00 0.14 H new ATOM 1285 N ARG A 172 5.380 -2.052 -5.761 1.00 0.18 N ATOM 1286 CA ARG A 172 6.557 -1.860 -4.922 1.00 0.19 C ATOM 1287 C ARG A 172 6.655 -0.407 -4.476 1.00 0.22 C ATOM 1288 O ARG A 172 6.537 0.510 -5.294 1.00 0.36 O ATOM 1289 CB ARG A 172 7.830 -2.238 -5.689 1.00 0.23 C ATOM 1290 CG ARG A 172 7.816 -3.640 -6.280 1.00 0.32 C ATOM 1291 CD ARG A 172 8.139 -4.712 -5.250 1.00 0.39 C ATOM 1292 NE ARG A 172 7.983 -6.047 -5.823 1.00 1.03 N ATOM 1293 CZ ARG A 172 8.827 -7.059 -5.623 1.00 1.26 C ATOM 1294 NH1 ARG A 172 9.872 -6.913 -4.820 1.00 1.34 N ATOM 1295 NH2 ARG A 172 8.612 -8.223 -6.222 1.00 1.93 N ATOM 0 H ARG A 172 5.588 -2.167 -6.753 1.00 0.18 H new ATOM 0 HA ARG A 172 6.460 -2.503 -4.048 1.00 0.19 H new ATOM 0 HB2 ARG A 172 7.981 -1.519 -6.494 1.00 0.23 H new ATOM 0 HB3 ARG A 172 8.684 -2.149 -5.018 1.00 0.23 H new ATOM 0 HG2 ARG A 172 6.835 -3.839 -6.711 1.00 0.32 H new ATOM 0 HG3 ARG A 172 8.538 -3.694 -7.094 1.00 0.32 H new ATOM 0 HD2 ARG A 172 9.160 -4.582 -4.892 1.00 0.39 H new ATOM 0 HD3 ARG A 172 7.482 -4.603 -4.387 1.00 0.39 H new ATOM 0 HE ARG A 172 7.172 -6.216 -6.418 1.00 1.03 H new ATOM 0 HH11 ARG A 172 10.034 -6.022 -4.351 1.00 1.34 H new ATOM 0 HH12 ARG A 172 10.514 -7.692 -4.672 1.00 1.34 H new ATOM 0 HH21 ARG A 172 7.804 -8.341 -6.833 1.00 1.93 H new ATOM 0 HH22 ARG A 172 9.255 -9.000 -6.072 1.00 1.93 H new