USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 580 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 118 LYS NZ :NH3+ -141:sc= -0.105 (180deg=-1.69) USER MOD Set 1.2: A 122 GLN : amide:sc= -0.357 K(o=-0.46,f=-3.5!) USER MOD Set 2.1: A 98 SER OG : rot 48:sc= 1.74 USER MOD Set 2.2: A 150 TYR OH : rot -15:sc= -1.04 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ -120:sc= -0.234 (180deg=-1.51!) USER MOD Single : A 107 ASN : amide:sc=-0.00992 K(o=-0.0099,f=-1.1) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 MET CE :methyl -143:sc= -0.261 (180deg=-2.41) USER MOD Single : A 124 THR OG1 : rot 45:sc= 0.335 USER MOD Single : A 127 THR OG1 : rot -40:sc= 1.16 USER MOD Single : A 129 THR OG1 : rot -24:sc= 0.882 USER MOD Single : A 137 MET CE :methyl 162:sc= -4.37 (180deg=-5.22!) USER MOD Single : A 138 LYS NZ :NH3+ 150:sc= -0.123 (180deg=-0.617) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= -2.51 X(o=-2.5,f=-2.7) USER MOD Single : A 144 ASN : amide:sc= -0.082 K(o=-0.082,f=-1.8!) USER MOD Single : A 157 MET CE :methyl 148:sc= -2.65! (180deg=-6.73!) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 137 LYS NZ :NH3+ 131:sc= 0.0369 (180deg=-0.249) USER MOD ----------------------------------------------------------------- ATOM 71 N SER A 93 3.251 15.978 -0.855 1.00 0.00 N ATOM 72 CA SER A 93 3.779 14.786 -0.200 1.00 0.00 C ATOM 73 C SER A 93 2.890 14.374 0.969 1.00 0.00 C ATOM 74 O SER A 93 2.225 15.209 1.581 1.00 0.00 O ATOM 75 CB SER A 93 5.205 15.037 0.292 1.00 0.00 C ATOM 76 OG SER A 93 5.877 13.817 0.555 1.00 0.00 O ATOM 0 HA SER A 93 3.793 13.975 -0.929 1.00 0.00 H new ATOM 0 HB2 SER A 93 5.757 15.605 -0.457 1.00 0.00 H new ATOM 0 HB3 SER A 93 5.179 15.644 1.197 1.00 0.00 H new ATOM 0 HG SER A 93 6.787 14.005 0.866 1.00 0.00 H new ATOM 82 N GLU A 94 2.883 13.079 1.275 1.00 0.00 N ATOM 83 CA GLU A 94 2.075 12.550 2.372 1.00 0.00 C ATOM 84 C GLU A 94 0.590 12.562 2.016 1.00 0.00 C ATOM 85 O GLU A 94 -0.056 11.515 1.980 1.00 0.00 O ATOM 86 CB GLU A 94 2.310 13.357 3.652 1.00 0.00 C ATOM 87 CG GLU A 94 1.996 12.586 4.923 1.00 0.00 C ATOM 88 CD GLU A 94 2.849 13.024 6.098 1.00 0.00 C ATOM 89 OE1 GLU A 94 2.817 14.225 6.439 1.00 0.00 O ATOM 90 OE2 GLU A 94 3.548 12.166 6.676 1.00 0.00 O ATOM 0 H GLU A 94 3.429 12.375 0.778 1.00 0.00 H new ATOM 0 HA GLU A 94 2.381 11.518 2.542 1.00 0.00 H new ATOM 0 HB2 GLU A 94 3.350 13.681 3.681 1.00 0.00 H new ATOM 0 HB3 GLU A 94 1.696 14.257 3.622 1.00 0.00 H new ATOM 0 HG2 GLU A 94 0.944 12.719 5.173 1.00 0.00 H new ATOM 0 HG3 GLU A 94 2.149 11.522 4.745 1.00 0.00 H new ATOM 97 N GLU A 95 0.054 13.753 1.756 1.00 0.00 N ATOM 98 CA GLU A 95 -1.356 13.902 1.403 1.00 0.00 C ATOM 99 C GLU A 95 -1.767 12.888 0.340 1.00 0.00 C ATOM 100 O GLU A 95 -2.906 12.421 0.321 1.00 0.00 O ATOM 101 CB GLU A 95 -1.629 15.321 0.901 1.00 0.00 C ATOM 102 CG GLU A 95 -1.301 16.401 1.919 1.00 0.00 C ATOM 103 CD GLU A 95 -2.542 17.012 2.541 1.00 0.00 C ATOM 104 OE1 GLU A 95 -3.072 17.988 1.971 1.00 0.00 O ATOM 105 OE2 GLU A 95 -2.983 16.514 3.598 1.00 0.00 O ATOM 0 H GLU A 95 0.575 14.629 1.783 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.948 13.718 2.300 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -1.045 15.496 -0.003 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -2.680 15.403 0.623 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -0.676 15.977 2.705 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -0.717 17.185 1.436 1.00 0.00 H new ATOM 112 N GLU A 96 -0.831 12.549 -0.541 1.00 0.00 N ATOM 113 CA GLU A 96 -1.096 11.586 -1.603 1.00 0.00 C ATOM 114 C GLU A 96 -1.528 10.247 -1.018 1.00 0.00 C ATOM 115 O GLU A 96 -2.643 9.784 -1.256 1.00 0.00 O ATOM 116 CB GLU A 96 0.148 11.399 -2.474 1.00 0.00 C ATOM 117 CG GLU A 96 0.605 12.675 -3.163 1.00 0.00 C ATOM 118 CD GLU A 96 2.085 12.944 -2.972 1.00 0.00 C ATOM 119 OE1 GLU A 96 2.881 11.986 -3.071 1.00 0.00 O ATOM 120 OE2 GLU A 96 2.448 14.113 -2.724 1.00 0.00 O ATOM 0 H GLU A 96 0.117 12.927 -0.540 1.00 0.00 H new ATOM 0 HA GLU A 96 -1.906 11.974 -2.221 1.00 0.00 H new ATOM 0 HB2 GLU A 96 0.961 11.019 -1.855 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -0.058 10.641 -3.230 1.00 0.00 H new ATOM 0 HG2 GLU A 96 0.387 12.606 -4.229 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.033 13.518 -2.774 1.00 0.00 H new ATOM 127 N LEU A 97 -0.639 9.632 -0.245 1.00 0.00 N ATOM 128 CA LEU A 97 -0.929 8.348 0.381 1.00 0.00 C ATOM 129 C LEU A 97 -2.101 8.470 1.352 1.00 0.00 C ATOM 130 O LEU A 97 -2.791 7.491 1.633 1.00 0.00 O ATOM 131 CB LEU A 97 0.306 7.824 1.116 1.00 0.00 C ATOM 132 CG LEU A 97 1.307 7.066 0.240 1.00 0.00 C ATOM 133 CD1 LEU A 97 2.681 7.717 0.307 1.00 0.00 C ATOM 134 CD2 LEU A 97 1.388 5.606 0.661 1.00 0.00 C ATOM 0 H LEU A 97 0.288 10.002 -0.037 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.202 7.642 -0.403 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.818 8.666 1.581 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.021 7.166 1.921 1.00 0.00 H new ATOM 0 HG LEU A 97 0.958 7.108 -0.792 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.377 7.163 -0.322 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.614 8.746 -0.045 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.038 7.709 1.337 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.104 5.084 0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.711 5.544 1.700 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.407 5.143 0.558 1.00 0.00 H new ATOM 146 N SER A 98 -2.323 9.681 1.860 1.00 0.00 N ATOM 147 CA SER A 98 -3.416 9.930 2.796 1.00 0.00 C ATOM 148 C SER A 98 -4.729 9.388 2.242 1.00 0.00 C ATOM 149 O SER A 98 -5.472 8.698 2.940 1.00 0.00 O ATOM 150 CB SER A 98 -3.545 11.429 3.076 1.00 0.00 C ATOM 151 OG SER A 98 -3.888 11.667 4.430 1.00 0.00 O ATOM 0 H SER A 98 -1.761 10.503 1.639 1.00 0.00 H new ATOM 0 HA SER A 98 -3.192 9.414 3.730 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.604 11.928 2.843 1.00 0.00 H new ATOM 0 HB3 SER A 98 -4.305 11.860 2.424 1.00 0.00 H new ATOM 0 HG SER A 98 -3.306 11.136 5.013 1.00 0.00 H new ATOM 157 N ASP A 99 -4.999 9.696 0.978 1.00 0.00 N ATOM 158 CA ASP A 99 -6.214 9.229 0.323 1.00 0.00 C ATOM 159 C ASP A 99 -6.107 7.741 0.012 1.00 0.00 C ATOM 160 O ASP A 99 -7.106 7.021 0.012 1.00 0.00 O ATOM 161 CB ASP A 99 -6.463 10.017 -0.964 1.00 0.00 C ATOM 162 CG ASP A 99 -7.300 11.259 -0.730 1.00 0.00 C ATOM 163 OD1 ASP A 99 -8.098 11.264 0.231 1.00 0.00 O ATOM 164 OD2 ASP A 99 -7.159 12.226 -1.507 1.00 0.00 O ATOM 0 H ASP A 99 -4.393 10.266 0.388 1.00 0.00 H new ATOM 0 HA ASP A 99 -7.054 9.389 0.999 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -5.507 10.304 -1.401 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -6.965 9.375 -1.688 1.00 0.00 H new ATOM 169 N LEU A 100 -4.884 7.285 -0.246 1.00 0.00 N ATOM 170 CA LEU A 100 -4.637 5.881 -0.551 1.00 0.00 C ATOM 171 C LEU A 100 -5.081 4.995 0.608 1.00 0.00 C ATOM 172 O LEU A 100 -5.759 3.987 0.409 1.00 0.00 O ATOM 173 CB LEU A 100 -3.150 5.652 -0.837 1.00 0.00 C ATOM 174 CG LEU A 100 -2.721 5.849 -2.294 1.00 0.00 C ATOM 175 CD1 LEU A 100 -3.152 7.215 -2.805 1.00 0.00 C ATOM 176 CD2 LEU A 100 -1.215 5.679 -2.431 1.00 0.00 C ATOM 0 H LEU A 100 -4.048 7.870 -0.250 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.215 5.618 -1.437 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -2.569 6.329 -0.211 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.892 4.637 -0.534 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.213 5.089 -2.901 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.836 7.332 -3.842 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.237 7.300 -2.744 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.692 7.993 -2.196 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.926 5.822 -3.472 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.708 6.416 -1.809 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.931 4.677 -2.110 1.00 0.00 H new ATOM 188 N PHE A 101 -4.691 5.380 1.820 1.00 0.00 N ATOM 189 CA PHE A 101 -5.046 4.623 3.015 1.00 0.00 C ATOM 190 C PHE A 101 -6.560 4.543 3.183 1.00 0.00 C ATOM 191 O PHE A 101 -7.105 3.484 3.494 1.00 0.00 O ATOM 192 CB PHE A 101 -4.418 5.261 4.256 1.00 0.00 C ATOM 193 CG PHE A 101 -4.296 4.319 5.420 1.00 0.00 C ATOM 194 CD1 PHE A 101 -3.347 3.308 5.415 1.00 0.00 C ATOM 195 CD2 PHE A 101 -5.130 4.444 6.519 1.00 0.00 C ATOM 196 CE1 PHE A 101 -3.234 2.440 6.485 1.00 0.00 C ATOM 197 CE2 PHE A 101 -5.021 3.580 7.591 1.00 0.00 C ATOM 198 CZ PHE A 101 -4.072 2.577 7.574 1.00 0.00 C ATOM 0 H PHE A 101 -4.129 6.212 2.000 1.00 0.00 H new ATOM 0 HA PHE A 101 -4.658 3.611 2.898 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -3.428 5.638 3.999 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -5.018 6.120 4.556 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -2.689 3.197 4.566 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -5.874 5.226 6.538 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -2.491 1.656 6.469 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -5.677 3.689 8.442 1.00 0.00 H new ATOM 0 HZ PHE A 101 -3.985 1.901 8.411 1.00 0.00 H new ATOM 208 N ARG A 102 -7.234 5.670 2.976 1.00 0.00 N ATOM 209 CA ARG A 102 -8.686 5.727 3.106 1.00 0.00 C ATOM 210 C ARG A 102 -9.359 4.737 2.159 1.00 0.00 C ATOM 211 O ARG A 102 -10.385 4.145 2.491 1.00 0.00 O ATOM 212 CB ARG A 102 -9.189 7.145 2.824 1.00 0.00 C ATOM 213 CG ARG A 102 -9.509 7.938 4.081 1.00 0.00 C ATOM 214 CD ARG A 102 -10.434 9.107 3.782 1.00 0.00 C ATOM 215 NE ARG A 102 -11.213 9.502 4.952 1.00 0.00 N ATOM 216 CZ ARG A 102 -11.822 10.680 5.074 1.00 0.00 C ATOM 217 NH1 ARG A 102 -11.745 11.579 4.101 1.00 0.00 N ATOM 218 NH2 ARG A 102 -12.510 10.959 6.173 1.00 0.00 N ATOM 0 H ARG A 102 -6.798 6.555 2.718 1.00 0.00 H new ATOM 0 HA ARG A 102 -8.944 5.454 4.129 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -8.435 7.681 2.248 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -10.083 7.088 2.203 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -9.975 7.283 4.817 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -8.585 8.308 4.524 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -9.845 9.956 3.435 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -11.110 8.836 2.971 1.00 0.00 H new ATOM 0 HE ARG A 102 -11.296 8.837 5.721 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -11.217 11.370 3.254 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -12.214 12.479 4.200 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -12.572 10.272 6.924 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -12.977 11.861 6.267 1.00 0.00 H new ATOM 232 N MET A 103 -8.772 4.562 0.979 1.00 0.00 N ATOM 233 CA MET A 103 -9.315 3.643 -0.015 1.00 0.00 C ATOM 234 C MET A 103 -8.825 2.220 0.233 1.00 0.00 C ATOM 235 O MET A 103 -9.527 1.252 -0.059 1.00 0.00 O ATOM 236 CB MET A 103 -8.922 4.092 -1.424 1.00 0.00 C ATOM 237 CG MET A 103 -9.496 5.445 -1.813 1.00 0.00 C ATOM 238 SD MET A 103 -9.549 5.688 -3.599 1.00 0.00 S ATOM 239 CE MET A 103 -8.691 7.252 -3.754 1.00 0.00 C ATOM 0 H MET A 103 -7.921 5.044 0.688 1.00 0.00 H new ATOM 0 HA MET A 103 -10.401 3.654 0.073 1.00 0.00 H new ATOM 0 HB2 MET A 103 -7.835 4.134 -1.493 1.00 0.00 H new ATOM 0 HB3 MET A 103 -9.258 3.344 -2.142 1.00 0.00 H new ATOM 0 HG2 MET A 103 -10.503 5.538 -1.407 1.00 0.00 H new ATOM 0 HG3 MET A 103 -8.896 6.234 -1.360 1.00 0.00 H new ATOM 0 HE1 MET A 103 -8.642 7.538 -4.805 1.00 0.00 H new ATOM 0 HE2 MET A 103 -9.227 8.018 -3.194 1.00 0.00 H new ATOM 0 HE3 MET A 103 -7.680 7.153 -3.358 1.00 0.00 H new ATOM 249 N PHE A 104 -7.617 2.101 0.775 1.00 0.00 N ATOM 250 CA PHE A 104 -7.034 0.796 1.063 1.00 0.00 C ATOM 251 C PHE A 104 -7.647 0.192 2.322 1.00 0.00 C ATOM 252 O PHE A 104 -7.747 -1.028 2.451 1.00 0.00 O ATOM 253 CB PHE A 104 -5.517 0.918 1.226 1.00 0.00 C ATOM 254 CG PHE A 104 -4.748 -0.157 0.511 1.00 0.00 C ATOM 255 CD1 PHE A 104 -4.731 -1.454 0.998 1.00 0.00 C ATOM 256 CD2 PHE A 104 -4.042 0.131 -0.645 1.00 0.00 C ATOM 257 CE1 PHE A 104 -4.023 -2.444 0.343 1.00 0.00 C ATOM 258 CE2 PHE A 104 -3.333 -0.855 -1.304 1.00 0.00 C ATOM 259 CZ PHE A 104 -3.323 -2.144 -0.809 1.00 0.00 C ATOM 0 H PHE A 104 -7.023 2.892 1.023 1.00 0.00 H new ATOM 0 HA PHE A 104 -7.250 0.135 0.224 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -5.197 1.891 0.854 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -5.270 0.886 2.287 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -5.277 -1.694 1.899 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -4.046 1.138 -1.036 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -4.017 -3.452 0.732 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -2.787 -0.618 -2.205 1.00 0.00 H new ATOM 0 HZ PHE A 104 -2.769 -2.916 -1.322 1.00 0.00 H new ATOM 269 N ASP A 105 -8.055 1.053 3.249 1.00 0.00 N ATOM 270 CA ASP A 105 -8.658 0.603 4.498 1.00 0.00 C ATOM 271 C ASP A 105 -10.153 0.349 4.322 1.00 0.00 C ATOM 272 O ASP A 105 -10.985 1.014 4.939 1.00 0.00 O ATOM 273 CB ASP A 105 -8.429 1.639 5.601 1.00 0.00 C ATOM 274 CG ASP A 105 -8.447 1.022 6.986 1.00 0.00 C ATOM 275 OD1 ASP A 105 -7.975 -0.125 7.131 1.00 0.00 O ATOM 276 OD2 ASP A 105 -8.933 1.687 7.925 1.00 0.00 O ATOM 0 H ASP A 105 -7.979 2.066 3.159 1.00 0.00 H new ATOM 0 HA ASP A 105 -8.182 -0.334 4.785 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -7.471 2.133 5.439 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -9.199 2.408 5.539 1.00 0.00 H new ATOM 281 N LYS A 106 -10.486 -0.621 3.476 1.00 0.00 N ATOM 282 CA LYS A 106 -11.880 -0.965 3.219 1.00 0.00 C ATOM 283 C LYS A 106 -12.578 -1.413 4.500 1.00 0.00 C ATOM 284 O LYS A 106 -13.796 -1.296 4.627 1.00 0.00 O ATOM 285 CB LYS A 106 -11.967 -2.070 2.165 1.00 0.00 C ATOM 286 CG LYS A 106 -11.653 -1.592 0.755 1.00 0.00 C ATOM 287 CD LYS A 106 -10.405 -2.262 0.199 1.00 0.00 C ATOM 288 CE LYS A 106 -10.604 -2.705 -1.242 1.00 0.00 C ATOM 289 NZ LYS A 106 -10.985 -4.141 -1.334 1.00 0.00 N ATOM 0 H LYS A 106 -9.810 -1.182 2.957 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.384 -0.074 2.846 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.276 -2.870 2.431 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -12.970 -2.497 2.180 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -12.500 -1.802 0.102 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -11.514 -0.511 0.760 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -9.564 -1.571 0.255 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -10.150 -3.125 0.814 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -11.378 -2.094 -1.706 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -9.685 -2.537 -1.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -10.272 -4.654 -1.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -11.037 -4.548 -0.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -11.913 -4.225 -1.797 1.00 0.00 H new ATOM 303 N ASN A 107 -11.798 -1.926 5.447 1.00 0.00 N ATOM 304 CA ASN A 107 -12.343 -2.390 6.719 1.00 0.00 C ATOM 305 C ASN A 107 -12.827 -1.217 7.565 1.00 0.00 C ATOM 306 O ASN A 107 -13.686 -1.378 8.432 1.00 0.00 O ATOM 307 CB ASN A 107 -11.288 -3.187 7.488 1.00 0.00 C ATOM 308 CG ASN A 107 -11.881 -3.968 8.643 1.00 0.00 C ATOM 309 OD1 ASN A 107 -13.034 -4.397 8.592 1.00 0.00 O ATOM 310 ND2 ASN A 107 -11.093 -4.157 9.696 1.00 0.00 N ATOM 0 H ASN A 107 -10.787 -2.031 5.358 1.00 0.00 H new ATOM 0 HA ASN A 107 -13.195 -3.036 6.507 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -10.789 -3.875 6.806 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -10.527 -2.505 7.867 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -11.437 -4.675 10.504 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -10.144 -3.784 9.696 1.00 0.00 H new ATOM 317 N ALA A 108 -12.269 -0.037 7.309 1.00 0.00 N ATOM 318 CA ALA A 108 -12.643 1.163 8.048 1.00 0.00 C ATOM 319 C ALA A 108 -12.265 1.042 9.520 1.00 0.00 C ATOM 320 O ALA A 108 -13.125 0.850 10.379 1.00 0.00 O ATOM 321 CB ALA A 108 -14.134 1.433 7.902 1.00 0.00 C ATOM 0 H ALA A 108 -11.556 0.113 6.595 1.00 0.00 H new ATOM 0 HA ALA A 108 -12.092 2.004 7.627 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -14.397 2.332 8.459 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -14.377 1.575 6.849 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -14.697 0.586 8.293 1.00 0.00 H new ATOM 327 N ASP A 109 -10.972 1.156 9.803 1.00 0.00 N ATOM 328 CA ASP A 109 -10.477 1.059 11.171 1.00 0.00 C ATOM 329 C ASP A 109 -9.307 2.013 11.393 1.00 0.00 C ATOM 330 O ASP A 109 -9.264 2.736 12.389 1.00 0.00 O ATOM 331 CB ASP A 109 -10.046 -0.376 11.481 1.00 0.00 C ATOM 332 CG ASP A 109 -9.001 -0.888 10.510 1.00 0.00 C ATOM 333 OD1 ASP A 109 -9.107 -0.578 9.304 1.00 0.00 O ATOM 334 OD2 ASP A 109 -8.076 -1.600 10.955 1.00 0.00 O ATOM 0 H ASP A 109 -10.248 1.316 9.103 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.286 1.340 11.845 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -9.649 -0.422 12.495 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -10.918 -1.029 11.450 1.00 0.00 H new ATOM 339 N GLY A 110 -8.361 2.008 10.460 1.00 0.00 N ATOM 340 CA GLY A 110 -7.204 2.877 10.573 1.00 0.00 C ATOM 341 C GLY A 110 -5.891 2.133 10.406 1.00 0.00 C ATOM 342 O GLY A 110 -4.833 2.753 10.292 1.00 0.00 O ATOM 0 H GLY A 110 -8.375 1.418 9.628 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -7.270 3.662 9.820 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -7.217 3.367 11.546 1.00 0.00 H new ATOM 346 N TYR A 111 -5.955 0.804 10.393 1.00 0.00 N ATOM 347 CA TYR A 111 -4.757 -0.016 10.241 1.00 0.00 C ATOM 348 C TYR A 111 -4.966 -1.084 9.172 1.00 0.00 C ATOM 349 O TYR A 111 -6.101 -1.392 8.808 1.00 0.00 O ATOM 350 CB TYR A 111 -4.393 -0.681 11.573 1.00 0.00 C ATOM 351 CG TYR A 111 -4.720 0.160 12.788 1.00 0.00 C ATOM 352 CD1 TYR A 111 -4.310 1.485 12.870 1.00 0.00 C ATOM 353 CD2 TYR A 111 -5.438 -0.371 13.852 1.00 0.00 C ATOM 354 CE1 TYR A 111 -4.607 2.256 13.978 1.00 0.00 C ATOM 355 CE2 TYR A 111 -5.740 0.394 14.962 1.00 0.00 C ATOM 356 CZ TYR A 111 -5.322 1.706 15.021 1.00 0.00 C ATOM 357 OH TYR A 111 -5.620 2.471 16.125 1.00 0.00 O ATOM 0 H TYR A 111 -6.821 0.273 10.486 1.00 0.00 H new ATOM 0 HA TYR A 111 -3.939 0.634 9.931 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -4.920 -1.632 11.649 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -3.327 -0.907 11.576 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -3.750 1.919 12.055 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -5.766 -1.399 13.811 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -4.281 3.284 14.027 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -6.301 -0.034 15.780 1.00 0.00 H new ATOM 0 HH TYR A 111 -6.129 1.934 16.767 1.00 0.00 H new ATOM 367 N ILE A 112 -3.869 -1.655 8.672 1.00 0.00 N ATOM 368 CA ILE A 112 -3.959 -2.692 7.650 1.00 0.00 C ATOM 369 C ILE A 112 -3.413 -4.018 8.166 1.00 0.00 C ATOM 370 O ILE A 112 -2.303 -4.082 8.695 1.00 0.00 O ATOM 371 CB ILE A 112 -3.202 -2.300 6.365 1.00 0.00 C ATOM 372 CG1 ILE A 112 -3.619 -0.896 5.913 1.00 0.00 C ATOM 373 CG2 ILE A 112 -3.457 -3.323 5.265 1.00 0.00 C ATOM 374 CD1 ILE A 112 -3.093 -0.513 4.546 1.00 0.00 C ATOM 0 H ILE A 112 -2.918 -1.418 8.956 1.00 0.00 H new ATOM 0 HA ILE A 112 -5.017 -2.802 7.411 1.00 0.00 H new ATOM 0 HB ILE A 112 -2.133 -2.289 6.576 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -4.707 -0.836 5.903 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -3.266 -0.169 6.645 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -2.916 -3.032 4.365 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -3.114 -4.304 5.594 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -4.524 -3.366 5.049 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -3.430 0.493 4.295 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -2.003 -0.539 4.555 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -3.467 -1.216 3.802 1.00 0.00 H new ATOM 386 N ASP A 113 -4.204 -5.074 8.011 1.00 0.00 N ATOM 387 CA ASP A 113 -3.806 -6.402 8.464 1.00 0.00 C ATOM 388 C ASP A 113 -3.799 -7.393 7.304 1.00 0.00 C ATOM 389 O ASP A 113 -3.891 -7.002 6.140 1.00 0.00 O ATOM 390 CB ASP A 113 -4.750 -6.887 9.568 1.00 0.00 C ATOM 391 CG ASP A 113 -6.169 -7.089 9.072 1.00 0.00 C ATOM 392 OD1 ASP A 113 -6.797 -6.096 8.651 1.00 0.00 O ATOM 393 OD2 ASP A 113 -6.650 -8.241 9.104 1.00 0.00 O ATOM 0 H ASP A 113 -5.125 -5.036 7.575 1.00 0.00 H new ATOM 0 HA ASP A 113 -2.794 -6.338 8.864 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -4.374 -7.825 9.976 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -4.753 -6.163 10.383 1.00 0.00 H new ATOM 398 N LEU A 114 -3.687 -8.678 7.628 1.00 0.00 N ATOM 399 CA LEU A 114 -3.665 -9.725 6.614 1.00 0.00 C ATOM 400 C LEU A 114 -4.905 -9.658 5.726 1.00 0.00 C ATOM 401 O LEU A 114 -4.863 -10.034 4.555 1.00 0.00 O ATOM 402 CB LEU A 114 -3.571 -11.102 7.277 1.00 0.00 C ATOM 403 CG LEU A 114 -2.155 -11.675 7.379 1.00 0.00 C ATOM 404 CD1 LEU A 114 -1.641 -11.586 8.808 1.00 0.00 C ATOM 405 CD2 LEU A 114 -2.125 -13.116 6.889 1.00 0.00 C ATOM 0 H LEU A 114 -3.610 -9.019 8.586 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.787 -9.568 5.987 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.993 -11.035 8.280 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -4.191 -11.802 6.716 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.499 -11.081 6.742 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -0.633 -11.998 8.859 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -1.622 -10.543 9.124 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -2.299 -12.153 9.467 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -1.110 -13.506 6.969 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -2.796 -13.722 7.498 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -2.447 -13.153 5.848 1.00 0.00 H new ATOM 417 N GLU A 115 -6.009 -9.179 6.291 1.00 0.00 N ATOM 418 CA GLU A 115 -7.259 -9.067 5.549 1.00 0.00 C ATOM 419 C GLU A 115 -7.159 -8.003 4.461 1.00 0.00 C ATOM 420 O GLU A 115 -7.543 -8.236 3.315 1.00 0.00 O ATOM 421 CB GLU A 115 -8.411 -8.733 6.499 1.00 0.00 C ATOM 422 CG GLU A 115 -9.095 -9.975 7.038 1.00 0.00 C ATOM 423 OE1 GLU A 115 -8.382 -10.928 7.415 1.00 0.00 O ATOM 424 OE2 GLU A 115 -10.343 -9.993 7.082 1.00 0.00 O ATOM 0 H GLU A 115 -6.063 -8.863 7.259 1.00 0.00 H new ATOM 0 HA GLU A 115 -7.454 -10.028 5.072 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -8.032 -8.140 7.331 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -9.142 -8.117 5.976 1.00 0.00 H new ATOM 429 N GLU A 116 -6.642 -6.835 4.825 1.00 0.00 N ATOM 430 CA GLU A 116 -6.496 -5.738 3.876 1.00 0.00 C ATOM 431 C GLU A 116 -5.293 -5.959 2.964 1.00 0.00 C ATOM 432 O GLU A 116 -5.285 -5.517 1.815 1.00 0.00 O ATOM 433 CB GLU A 116 -6.356 -4.407 4.619 1.00 0.00 C ATOM 434 CG GLU A 116 -7.651 -3.616 4.696 1.00 0.00 C ATOM 435 CD GLU A 116 -7.689 -2.672 5.882 1.00 0.00 C ATOM 436 OE1 GLU A 116 -6.667 -2.002 6.140 1.00 0.00 O ATOM 437 OE2 GLU A 116 -8.740 -2.602 6.552 1.00 0.00 O ATOM 0 H GLU A 116 -6.318 -6.624 5.769 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.392 -5.706 3.257 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -5.997 -4.600 5.630 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -5.598 -3.801 4.122 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -7.778 -3.044 3.777 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.491 -4.307 4.760 1.00 0.00 H new ATOM 444 N LEU A 117 -4.280 -6.649 3.478 1.00 0.00 N ATOM 445 CA LEU A 117 -3.075 -6.929 2.703 1.00 0.00 C ATOM 446 C LEU A 117 -3.422 -7.635 1.396 1.00 0.00 C ATOM 447 O LEU A 117 -2.723 -7.488 0.394 1.00 0.00 O ATOM 448 CB LEU A 117 -2.103 -7.783 3.522 1.00 0.00 C ATOM 449 CG LEU A 117 -0.684 -7.222 3.629 1.00 0.00 C ATOM 450 CD1 LEU A 117 -0.038 -7.138 2.254 1.00 0.00 C ATOM 451 CD2 LEU A 117 -0.702 -5.856 4.300 1.00 0.00 C ATOM 0 H LEU A 117 -4.269 -7.024 4.426 1.00 0.00 H new ATOM 0 HA LEU A 117 -2.596 -5.980 2.464 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -2.507 -7.904 4.527 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -2.052 -8.777 3.077 1.00 0.00 H new ATOM 0 HG LEU A 117 -0.090 -7.898 4.244 1.00 0.00 H new ATOM 0 HD11 LEU A 117 0.971 -6.737 2.350 1.00 0.00 H new ATOM 0 HD12 LEU A 117 0.008 -8.133 1.812 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -0.629 -6.484 1.614 1.00 0.00 H new ATOM 0 HD21 LEU A 117 0.315 -5.471 4.368 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -1.311 -5.170 3.712 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -1.123 -5.948 5.301 1.00 0.00 H new ATOM 463 N LYS A 118 -4.509 -8.396 1.413 1.00 0.00 N ATOM 464 CA LYS A 118 -4.952 -9.118 0.227 1.00 0.00 C ATOM 465 C LYS A 118 -5.289 -8.146 -0.902 1.00 0.00 C ATOM 466 O LYS A 118 -5.239 -8.505 -2.078 1.00 0.00 O ATOM 467 CB LYS A 118 -6.171 -9.978 0.561 1.00 0.00 C ATOM 468 CG LYS A 118 -6.748 -10.712 -0.637 1.00 0.00 C ATOM 469 CD LYS A 118 -8.127 -11.271 -0.329 1.00 0.00 C ATOM 470 CE LYS A 118 -9.146 -10.160 -0.122 1.00 0.00 C ATOM 471 NZ LYS A 118 -10.145 -10.111 -1.225 1.00 0.00 N ATOM 0 H LYS A 118 -5.100 -8.529 2.234 1.00 0.00 H new ATOM 0 HA LYS A 118 -4.140 -9.765 -0.106 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -5.893 -10.706 1.323 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -6.944 -9.344 0.994 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -6.810 -10.033 -1.487 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -6.080 -11.524 -0.925 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -8.451 -11.915 -1.147 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -8.078 -11.892 0.565 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -9.660 -10.311 0.827 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -8.630 -9.202 -0.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -10.360 -9.120 -1.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -9.758 -10.585 -2.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -11.016 -10.594 -0.926 1.00 0.00 H new ATOM 485 N ILE A 119 -5.632 -6.915 -0.537 1.00 0.00 N ATOM 486 CA ILE A 119 -5.974 -5.894 -1.519 1.00 0.00 C ATOM 487 C ILE A 119 -4.799 -5.615 -2.454 1.00 0.00 C ATOM 488 O ILE A 119 -4.988 -5.185 -3.592 1.00 0.00 O ATOM 489 CB ILE A 119 -6.409 -4.582 -0.830 1.00 0.00 C ATOM 490 CG1 ILE A 119 -7.680 -4.815 -0.011 1.00 0.00 C ATOM 491 CG2 ILE A 119 -6.631 -3.477 -1.856 1.00 0.00 C ATOM 492 CD1 ILE A 119 -7.737 -3.999 1.261 1.00 0.00 C ATOM 0 H ILE A 119 -5.680 -6.601 0.432 1.00 0.00 H new ATOM 0 HA ILE A 119 -6.809 -6.277 -2.106 1.00 0.00 H new ATOM 0 HB ILE A 119 -5.611 -4.264 -0.159 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -8.548 -4.576 -0.626 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -7.751 -5.873 0.242 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -6.937 -2.563 -1.346 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -5.705 -3.296 -2.402 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -7.410 -3.781 -2.555 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -8.665 -4.215 1.790 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -6.889 -4.255 1.896 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -7.698 -2.938 1.015 1.00 0.00 H new ATOM 504 N MET A 120 -3.585 -5.862 -1.969 1.00 0.00 N ATOM 505 CA MET A 120 -2.384 -5.636 -2.766 1.00 0.00 C ATOM 506 C MET A 120 -2.242 -6.710 -3.839 1.00 0.00 C ATOM 507 O MET A 120 -1.907 -6.415 -4.986 1.00 0.00 O ATOM 508 CB MET A 120 -1.136 -5.625 -1.877 1.00 0.00 C ATOM 509 CG MET A 120 -1.368 -5.047 -0.487 1.00 0.00 C ATOM 510 SD MET A 120 -0.206 -3.731 -0.075 1.00 0.00 S ATOM 511 CE MET A 120 -0.522 -3.537 1.678 1.00 0.00 C ATOM 0 H MET A 120 -3.408 -6.218 -1.030 1.00 0.00 H new ATOM 0 HA MET A 120 -2.480 -4.663 -3.249 1.00 0.00 H new ATOM 0 HB2 MET A 120 -0.765 -6.645 -1.777 1.00 0.00 H new ATOM 0 HB3 MET A 120 -0.355 -5.049 -2.373 1.00 0.00 H new ATOM 0 HG2 MET A 120 -2.385 -4.660 -0.424 1.00 0.00 H new ATOM 0 HG3 MET A 120 -1.284 -5.844 0.252 1.00 0.00 H new ATOM 0 HE1 MET A 120 -0.454 -2.483 1.945 1.00 0.00 H new ATOM 0 HE2 MET A 120 -1.521 -3.907 1.911 1.00 0.00 H new ATOM 0 HE3 MET A 120 0.216 -4.104 2.246 1.00 0.00 H new ATOM 521 N LEU A 121 -2.503 -7.955 -3.458 1.00 0.00 N ATOM 522 CA LEU A 121 -2.408 -9.072 -4.393 1.00 0.00 C ATOM 523 C LEU A 121 -3.690 -9.205 -5.206 1.00 0.00 C ATOM 524 O LEU A 121 -3.662 -9.645 -6.356 1.00 0.00 O ATOM 525 CB LEU A 121 -2.114 -10.384 -3.659 1.00 0.00 C ATOM 526 CG LEU A 121 -2.666 -10.487 -2.237 1.00 0.00 C ATOM 527 CD1 LEU A 121 -3.007 -11.930 -1.903 1.00 0.00 C ATOM 528 CD2 LEU A 121 -1.665 -9.924 -1.239 1.00 0.00 C ATOM 0 H LEU A 121 -2.781 -8.217 -2.512 1.00 0.00 H new ATOM 0 HA LEU A 121 -1.581 -8.865 -5.072 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -2.520 -11.207 -4.247 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -1.034 -10.523 -3.620 1.00 0.00 H new ATOM 0 HG LEU A 121 -3.581 -9.898 -2.174 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -3.399 -11.986 -0.887 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -3.758 -12.298 -2.602 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -2.109 -12.543 -1.980 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -2.072 -10.004 -0.231 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -0.734 -10.487 -1.300 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -1.471 -8.877 -1.470 1.00 0.00 H new ATOM 540 N GLN A 122 -4.812 -8.810 -4.611 1.00 0.00 N ATOM 541 CA GLN A 122 -6.099 -8.875 -5.297 1.00 0.00 C ATOM 542 C GLN A 122 -6.011 -8.177 -6.651 1.00 0.00 C ATOM 543 O GLN A 122 -6.730 -8.518 -7.590 1.00 0.00 O ATOM 544 CB GLN A 122 -7.192 -8.229 -4.441 1.00 0.00 C ATOM 545 CG GLN A 122 -8.121 -9.235 -3.781 1.00 0.00 C ATOM 546 CD GLN A 122 -9.090 -9.864 -4.763 1.00 0.00 C ATOM 547 OE1 GLN A 122 -8.691 -10.354 -5.819 1.00 0.00 O ATOM 548 NE2 GLN A 122 -10.372 -9.854 -4.417 1.00 0.00 N ATOM 0 H GLN A 122 -4.857 -8.443 -3.660 1.00 0.00 H new ATOM 0 HA GLN A 122 -6.355 -9.922 -5.457 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -6.724 -7.618 -3.669 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -7.781 -7.557 -5.065 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -7.527 -10.018 -3.310 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -8.682 -8.740 -2.988 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -10.658 -9.437 -3.531 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -11.071 -10.264 -5.037 1.00 0.00 H new ATOM 557 N ALA A 123 -5.109 -7.203 -6.740 1.00 0.00 N ATOM 558 CA ALA A 123 -4.900 -6.455 -7.970 1.00 0.00 C ATOM 559 C ALA A 123 -4.211 -7.321 -9.020 1.00 0.00 C ATOM 560 O ALA A 123 -4.375 -7.110 -10.221 1.00 0.00 O ATOM 561 CB ALA A 123 -4.068 -5.214 -7.686 1.00 0.00 C ATOM 0 H ALA A 123 -4.509 -6.914 -5.967 1.00 0.00 H new ATOM 0 HA ALA A 123 -5.872 -6.153 -8.361 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -3.915 -4.659 -8.611 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -4.589 -4.583 -6.966 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -3.102 -5.509 -7.277 1.00 0.00 H new ATOM 567 N THR A 124 -3.438 -8.296 -8.552 1.00 0.00 N ATOM 568 CA THR A 124 -2.715 -9.198 -9.439 1.00 0.00 C ATOM 569 C THR A 124 -3.514 -10.474 -9.687 1.00 0.00 C ATOM 570 O THR A 124 -3.933 -10.748 -10.812 1.00 0.00 O ATOM 571 CB THR A 124 -1.353 -9.546 -8.837 1.00 0.00 C ATOM 572 OG1 THR A 124 -1.388 -9.431 -7.425 1.00 0.00 O ATOM 573 CG2 THR A 124 -0.232 -8.665 -9.342 1.00 0.00 C ATOM 0 H THR A 124 -3.297 -8.481 -7.559 1.00 0.00 H new ATOM 0 HA THR A 124 -2.568 -8.693 -10.393 1.00 0.00 H new ATOM 0 HB THR A 124 -1.152 -10.572 -9.146 1.00 0.00 H new ATOM 0 HG1 THR A 124 -2.208 -9.846 -7.083 1.00 0.00 H new ATOM 0 HG21 THR A 124 0.706 -8.966 -8.875 1.00 0.00 H new ATOM 0 HG22 THR A 124 -0.148 -8.768 -10.424 1.00 0.00 H new ATOM 0 HG23 THR A 124 -0.445 -7.626 -9.092 1.00 0.00 H new ATOM 581 N GLY A 125 -3.720 -11.249 -8.628 1.00 0.00 N ATOM 582 CA GLY A 125 -4.467 -12.487 -8.748 1.00 0.00 C ATOM 583 C GLY A 125 -3.575 -13.676 -9.051 1.00 0.00 C ATOM 584 O GLY A 125 -3.955 -14.568 -9.810 1.00 0.00 O ATOM 0 H GLY A 125 -3.383 -11.042 -7.688 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -5.010 -12.671 -7.821 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -5.211 -12.384 -9.538 1.00 0.00 H new ATOM 588 N GLU A 126 -2.386 -13.688 -8.457 1.00 0.00 N ATOM 589 CA GLU A 126 -1.435 -14.775 -8.666 1.00 0.00 C ATOM 590 C GLU A 126 -1.664 -15.900 -7.658 1.00 0.00 C ATOM 591 O GLU A 126 -2.734 -15.997 -7.057 1.00 0.00 O ATOM 592 CB GLU A 126 -0.001 -14.247 -8.557 1.00 0.00 C ATOM 593 CG GLU A 126 0.883 -14.646 -9.727 1.00 0.00 C ATOM 594 CD GLU A 126 2.215 -15.221 -9.284 1.00 0.00 C ATOM 595 OE1 GLU A 126 2.728 -14.786 -8.232 1.00 0.00 O ATOM 596 OE2 GLU A 126 2.743 -16.106 -9.989 1.00 0.00 O ATOM 0 H GLU A 126 -2.057 -12.957 -7.826 1.00 0.00 H new ATOM 0 HA GLU A 126 -1.589 -15.179 -9.667 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -0.027 -13.160 -8.486 1.00 0.00 H new ATOM 0 HB3 GLU A 126 0.444 -14.616 -7.633 1.00 0.00 H new ATOM 0 HG2 GLU A 126 0.360 -15.381 -10.338 1.00 0.00 H new ATOM 0 HG3 GLU A 126 1.060 -13.775 -10.358 1.00 0.00 H new ATOM 603 N THR A 127 -0.655 -16.749 -7.476 1.00 0.00 N ATOM 604 CA THR A 127 -0.752 -17.864 -6.539 1.00 0.00 C ATOM 605 C THR A 127 -0.241 -17.471 -5.153 1.00 0.00 C ATOM 606 O THR A 127 -0.002 -18.330 -4.305 1.00 0.00 O ATOM 607 CB THR A 127 0.036 -19.065 -7.063 1.00 0.00 C ATOM 608 OG1 THR A 127 -0.030 -20.146 -6.150 1.00 0.00 O ATOM 609 CG2 THR A 127 1.498 -18.760 -7.308 1.00 0.00 C ATOM 0 H THR A 127 0.238 -16.686 -7.965 1.00 0.00 H new ATOM 0 HA THR A 127 -1.804 -18.134 -6.450 1.00 0.00 H new ATOM 0 HB THR A 127 -0.430 -19.323 -8.014 1.00 0.00 H new ATOM 0 HG1 THR A 127 0.043 -19.805 -5.234 1.00 0.00 H new ATOM 0 HG21 THR A 127 1.999 -19.654 -7.679 1.00 0.00 H new ATOM 0 HG22 THR A 127 1.585 -17.963 -8.047 1.00 0.00 H new ATOM 0 HG23 THR A 127 1.965 -18.443 -6.375 1.00 0.00 H new ATOM 617 N ILE A 128 -0.072 -16.169 -4.929 1.00 0.00 N ATOM 618 CA ILE A 128 0.414 -15.664 -3.646 1.00 0.00 C ATOM 619 C ILE A 128 -0.349 -16.277 -2.475 1.00 0.00 C ATOM 620 O ILE A 128 0.233 -16.584 -1.435 1.00 0.00 O ATOM 621 CB ILE A 128 0.311 -14.126 -3.557 1.00 0.00 C ATOM 622 CG1 ILE A 128 -1.098 -13.638 -3.932 1.00 0.00 C ATOM 623 CG2 ILE A 128 1.375 -13.470 -4.420 1.00 0.00 C ATOM 624 CD1 ILE A 128 -1.368 -13.554 -5.422 1.00 0.00 C ATOM 0 H ILE A 128 -0.265 -15.444 -5.620 1.00 0.00 H new ATOM 0 HA ILE A 128 1.463 -15.954 -3.585 1.00 0.00 H new ATOM 0 HB ILE A 128 0.488 -13.832 -2.522 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -1.831 -14.308 -3.482 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -1.255 -12.653 -3.493 1.00 0.00 H new ATOM 0 HG21 ILE A 128 1.287 -12.386 -4.345 1.00 0.00 H new ATOM 0 HG22 ILE A 128 2.363 -13.779 -4.077 1.00 0.00 H new ATOM 0 HG23 ILE A 128 1.240 -13.774 -5.458 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -2.386 -13.201 -5.588 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -0.664 -12.860 -5.881 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -1.249 -14.541 -5.870 1.00 0.00 H new ATOM 636 N THR A 129 -1.652 -16.454 -2.654 1.00 0.00 N ATOM 637 CA THR A 129 -2.501 -17.033 -1.618 1.00 0.00 C ATOM 638 C THR A 129 -2.354 -16.295 -0.291 1.00 0.00 C ATOM 639 O THR A 129 -1.539 -15.381 -0.160 1.00 0.00 O ATOM 640 CB THR A 129 -2.178 -18.516 -1.433 1.00 0.00 C ATOM 641 OG1 THR A 129 -0.966 -18.683 -0.717 1.00 0.00 O ATOM 642 CG2 THR A 129 -2.048 -19.265 -2.742 1.00 0.00 C ATOM 0 H THR A 129 -2.146 -16.204 -3.510 1.00 0.00 H new ATOM 0 HA THR A 129 -3.536 -16.929 -1.945 1.00 0.00 H new ATOM 0 HB THR A 129 -3.021 -18.929 -0.878 1.00 0.00 H new ATOM 0 HG1 THR A 129 -0.412 -17.881 -0.820 1.00 0.00 H new ATOM 0 HG21 THR A 129 -1.818 -20.311 -2.541 1.00 0.00 H new ATOM 0 HG22 THR A 129 -2.986 -19.199 -3.294 1.00 0.00 H new ATOM 0 HG23 THR A 129 -1.246 -18.825 -3.335 1.00 0.00 H new ATOM 650 N GLU A 130 -3.158 -16.699 0.690 1.00 0.00 N ATOM 651 CA GLU A 130 -3.135 -16.082 2.012 1.00 0.00 C ATOM 652 C GLU A 130 -1.739 -16.137 2.626 1.00 0.00 C ATOM 653 O GLU A 130 -1.337 -15.230 3.356 1.00 0.00 O ATOM 654 CB GLU A 130 -4.138 -16.775 2.936 1.00 0.00 C ATOM 655 CG GLU A 130 -4.895 -15.816 3.841 1.00 0.00 C ATOM 656 CD GLU A 130 -6.145 -15.262 3.186 1.00 0.00 C ATOM 657 OE1 GLU A 130 -6.657 -15.904 2.245 1.00 0.00 O ATOM 658 OE2 GLU A 130 -6.612 -14.186 3.616 1.00 0.00 O ATOM 0 H GLU A 130 -3.836 -17.455 0.592 1.00 0.00 H new ATOM 0 HA GLU A 130 -3.414 -15.035 1.897 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -4.854 -17.331 2.330 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -3.609 -17.502 3.552 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -5.169 -16.331 4.762 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -4.239 -14.991 4.120 1.00 0.00 H new ATOM 665 N ASP A 131 -1.003 -17.204 2.329 1.00 0.00 N ATOM 666 CA ASP A 131 0.348 -17.372 2.857 1.00 0.00 C ATOM 667 C ASP A 131 1.196 -16.133 2.587 1.00 0.00 C ATOM 668 O ASP A 131 1.912 -15.654 3.466 1.00 0.00 O ATOM 669 CB ASP A 131 1.011 -18.604 2.237 1.00 0.00 C ATOM 670 CG ASP A 131 1.868 -19.361 3.233 1.00 0.00 C ATOM 671 OD1 ASP A 131 1.299 -20.090 4.072 1.00 0.00 O ATOM 672 OD2 ASP A 131 3.108 -19.224 3.175 1.00 0.00 O ATOM 0 H ASP A 131 -1.318 -17.964 1.727 1.00 0.00 H new ATOM 0 HA ASP A 131 0.275 -17.512 3.936 1.00 0.00 H new ATOM 0 HB2 ASP A 131 0.241 -19.269 1.845 1.00 0.00 H new ATOM 0 HB3 ASP A 131 1.627 -18.296 1.392 1.00 0.00 H new ATOM 677 N ASP A 132 1.107 -15.619 1.365 1.00 0.00 N ATOM 678 CA ASP A 132 1.860 -14.436 0.975 1.00 0.00 C ATOM 679 C ASP A 132 1.447 -13.224 1.806 1.00 0.00 C ATOM 680 O ASP A 132 2.252 -12.327 2.056 1.00 0.00 O ATOM 681 CB ASP A 132 1.633 -14.149 -0.507 1.00 0.00 C ATOM 682 CG ASP A 132 2.407 -12.939 -0.992 1.00 0.00 C ATOM 683 OD1 ASP A 132 3.649 -13.028 -1.089 1.00 0.00 O ATOM 684 OD2 ASP A 132 1.770 -11.902 -1.276 1.00 0.00 O ATOM 0 H ASP A 132 0.519 -16.006 0.627 1.00 0.00 H new ATOM 0 HA ASP A 132 2.918 -14.627 1.154 1.00 0.00 H new ATOM 0 HB2 ASP A 132 1.926 -15.021 -1.091 1.00 0.00 H new ATOM 0 HB3 ASP A 132 0.569 -13.990 -0.684 1.00 0.00 H new ATOM 689 N ILE A 133 0.186 -13.204 2.227 1.00 0.00 N ATOM 690 CA ILE A 133 -0.338 -12.101 3.025 1.00 0.00 C ATOM 691 C ILE A 133 0.475 -11.909 4.302 1.00 0.00 C ATOM 692 O ILE A 133 0.925 -10.804 4.603 1.00 0.00 O ATOM 693 CB ILE A 133 -1.816 -12.328 3.402 1.00 0.00 C ATOM 694 CG1 ILE A 133 -2.644 -12.679 2.163 1.00 0.00 C ATOM 695 CG2 ILE A 133 -2.383 -11.095 4.086 1.00 0.00 C ATOM 696 CD1 ILE A 133 -2.740 -11.554 1.156 1.00 0.00 C ATOM 0 H ILE A 133 -0.492 -13.940 2.029 1.00 0.00 H new ATOM 0 HA ILE A 133 -0.261 -11.205 2.409 1.00 0.00 H new ATOM 0 HB ILE A 133 -1.867 -13.167 4.096 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -2.205 -13.551 1.679 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -3.649 -12.961 2.477 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -3.427 -11.271 4.346 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -1.814 -10.887 4.992 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -2.316 -10.241 3.411 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -3.341 -11.877 0.306 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -3.207 -10.687 1.623 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -1.741 -11.287 0.813 1.00 0.00 H new ATOM 708 N GLU A 134 0.654 -12.992 5.051 1.00 0.00 N ATOM 709 CA GLU A 134 1.408 -12.945 6.299 1.00 0.00 C ATOM 710 C GLU A 134 2.855 -12.528 6.053 1.00 0.00 C ATOM 711 O GLU A 134 3.503 -11.957 6.931 1.00 0.00 O ATOM 712 CB GLU A 134 1.368 -14.308 6.992 1.00 0.00 C ATOM 713 CG GLU A 134 1.216 -14.218 8.502 1.00 0.00 C ATOM 714 CD GLU A 134 0.483 -15.410 9.085 1.00 0.00 C ATOM 715 OE1 GLU A 134 1.082 -16.504 9.146 1.00 0.00 O ATOM 716 OE2 GLU A 134 -0.691 -15.249 9.482 1.00 0.00 O ATOM 0 H GLU A 134 0.287 -13.914 4.815 1.00 0.00 H new ATOM 0 HA GLU A 134 0.943 -12.200 6.945 1.00 0.00 H new ATOM 0 HB2 GLU A 134 0.540 -14.889 6.586 1.00 0.00 H new ATOM 0 HB3 GLU A 134 2.283 -14.852 6.759 1.00 0.00 H new ATOM 0 HG2 GLU A 134 2.203 -14.143 8.959 1.00 0.00 H new ATOM 0 HG3 GLU A 134 0.677 -13.305 8.756 1.00 0.00 H new ATOM 723 N GLU A 135 3.360 -12.820 4.859 1.00 0.00 N ATOM 724 CA GLU A 135 4.733 -12.479 4.506 1.00 0.00 C ATOM 725 C GLU A 135 4.873 -10.989 4.211 1.00 0.00 C ATOM 726 O GLU A 135 5.666 -10.294 4.846 1.00 0.00 O ATOM 727 CB GLU A 135 5.187 -13.294 3.294 1.00 0.00 C ATOM 728 CG GLU A 135 5.796 -14.638 3.658 1.00 0.00 C ATOM 729 CD GLU A 135 5.990 -15.536 2.452 1.00 0.00 C ATOM 730 OE1 GLU A 135 6.427 -15.028 1.398 1.00 0.00 O ATOM 731 OE2 GLU A 135 5.705 -16.747 2.561 1.00 0.00 O ATOM 0 H GLU A 135 2.839 -13.292 4.120 1.00 0.00 H new ATOM 0 HA GLU A 135 5.367 -12.720 5.359 1.00 0.00 H new ATOM 0 HB2 GLU A 135 4.333 -13.458 2.636 1.00 0.00 H new ATOM 0 HB3 GLU A 135 5.918 -12.714 2.730 1.00 0.00 H new ATOM 0 HG2 GLU A 135 6.758 -14.477 4.145 1.00 0.00 H new ATOM 0 HG3 GLU A 135 5.153 -15.140 4.381 1.00 0.00 H new ATOM 738 N LEU A 136 4.103 -10.505 3.243 1.00 0.00 N ATOM 739 CA LEU A 136 4.148 -9.097 2.865 1.00 0.00 C ATOM 740 C LEU A 136 3.828 -8.199 4.057 1.00 0.00 C ATOM 741 O LEU A 136 4.555 -7.249 4.344 1.00 0.00 O ATOM 742 CB LEU A 136 3.167 -8.820 1.722 1.00 0.00 C ATOM 743 CG LEU A 136 3.016 -7.347 1.333 1.00 0.00 C ATOM 744 CD1 LEU A 136 4.374 -6.664 1.285 1.00 0.00 C ATOM 745 CD2 LEU A 136 2.306 -7.220 -0.007 1.00 0.00 C ATOM 0 H LEU A 136 3.441 -11.066 2.706 1.00 0.00 H new ATOM 0 HA LEU A 136 5.160 -8.872 2.528 1.00 0.00 H new ATOM 0 HB2 LEU A 136 3.490 -9.379 0.844 1.00 0.00 H new ATOM 0 HB3 LEU A 136 2.188 -9.207 2.004 1.00 0.00 H new ATOM 0 HG LEU A 136 2.410 -6.852 2.092 1.00 0.00 H new ATOM 0 HD11 LEU A 136 4.246 -5.618 1.007 1.00 0.00 H new ATOM 0 HD12 LEU A 136 4.846 -6.723 2.266 1.00 0.00 H new ATOM 0 HD13 LEU A 136 5.005 -7.161 0.548 1.00 0.00 H new ATOM 0 HD21 LEU A 136 2.207 -6.166 -0.268 1.00 0.00 H new ATOM 0 HD22 LEU A 136 2.885 -7.731 -0.776 1.00 0.00 H new ATOM 0 HD23 LEU A 136 1.316 -7.671 0.062 1.00 0.00 H new ATOM 757 N MET A 137 2.735 -8.510 4.747 1.00 0.00 N ATOM 758 CA MET A 137 2.309 -7.736 5.912 1.00 0.00 C ATOM 759 C MET A 137 3.483 -7.456 6.848 1.00 0.00 C ATOM 760 O MET A 137 3.508 -6.437 7.539 1.00 0.00 O ATOM 761 CB MET A 137 1.210 -8.483 6.670 1.00 0.00 C ATOM 762 CG MET A 137 0.685 -7.729 7.881 1.00 0.00 C ATOM 763 SD MET A 137 0.072 -6.086 7.463 1.00 0.00 S ATOM 764 CE MET A 137 0.139 -5.282 9.062 1.00 0.00 C ATOM 0 H MET A 137 2.125 -9.295 4.520 1.00 0.00 H new ATOM 0 HA MET A 137 1.919 -6.783 5.556 1.00 0.00 H new ATOM 0 HB2 MET A 137 0.382 -8.682 5.990 1.00 0.00 H new ATOM 0 HB3 MET A 137 1.596 -9.450 6.994 1.00 0.00 H new ATOM 0 HG2 MET A 137 -0.117 -8.305 8.343 1.00 0.00 H new ATOM 0 HG3 MET A 137 1.480 -7.639 8.621 1.00 0.00 H new ATOM 0 HE1 MET A 137 0.104 -4.201 8.927 1.00 0.00 H new ATOM 0 HE2 MET A 137 -0.711 -5.600 9.665 1.00 0.00 H new ATOM 0 HE3 MET A 137 1.065 -5.555 9.568 1.00 0.00 H new ATOM 774 N LYS A 138 4.455 -8.363 6.862 1.00 0.00 N ATOM 775 CA LYS A 138 5.632 -8.210 7.711 1.00 0.00 C ATOM 776 C LYS A 138 6.324 -6.875 7.446 1.00 0.00 C ATOM 777 O LYS A 138 6.972 -6.314 8.330 1.00 0.00 O ATOM 778 CB LYS A 138 6.612 -9.361 7.473 1.00 0.00 C ATOM 779 CG LYS A 138 7.413 -9.743 8.708 1.00 0.00 C ATOM 780 CD LYS A 138 8.852 -10.091 8.356 1.00 0.00 C ATOM 781 CE LYS A 138 9.254 -11.444 8.921 1.00 0.00 C ATOM 782 NZ LYS A 138 8.369 -12.536 8.430 1.00 0.00 N ATOM 0 H LYS A 138 4.451 -9.211 6.295 1.00 0.00 H new ATOM 0 HA LYS A 138 5.304 -8.230 8.750 1.00 0.00 H new ATOM 0 HB2 LYS A 138 6.058 -10.233 7.125 1.00 0.00 H new ATOM 0 HB3 LYS A 138 7.301 -9.082 6.675 1.00 0.00 H new ATOM 0 HG2 LYS A 138 7.401 -8.918 9.420 1.00 0.00 H new ATOM 0 HG3 LYS A 138 6.942 -10.594 9.199 1.00 0.00 H new ATOM 0 HD2 LYS A 138 8.971 -10.099 7.273 1.00 0.00 H new ATOM 0 HD3 LYS A 138 9.519 -9.321 8.744 1.00 0.00 H new ATOM 0 HE2 LYS A 138 10.286 -11.661 8.644 1.00 0.00 H new ATOM 0 HE3 LYS A 138 9.217 -11.408 10.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 8.907 -13.425 8.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 7.565 -12.649 9.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 8.017 -12.297 7.481 1.00 0.00 H new ATOM 796 N ASP A 139 6.181 -6.372 6.224 1.00 0.00 N ATOM 797 CA ASP A 139 6.790 -5.103 5.842 1.00 0.00 C ATOM 798 C ASP A 139 5.997 -3.927 6.404 1.00 0.00 C ATOM 799 O ASP A 139 6.567 -3.005 6.987 1.00 0.00 O ATOM 800 CB ASP A 139 6.876 -4.994 4.318 1.00 0.00 C ATOM 801 CG ASP A 139 8.214 -5.460 3.780 1.00 0.00 C ATOM 802 OD1 ASP A 139 8.376 -6.680 3.568 1.00 0.00 O ATOM 803 OD2 ASP A 139 9.099 -4.605 3.568 1.00 0.00 O ATOM 0 H ASP A 139 5.648 -6.824 5.481 1.00 0.00 H new ATOM 0 HA ASP A 139 7.796 -5.071 6.260 1.00 0.00 H new ATOM 0 HB2 ASP A 139 6.080 -5.588 3.869 1.00 0.00 H new ATOM 0 HB3 ASP A 139 6.708 -3.959 4.020 1.00 0.00 H new ATOM 808 N GLY A 140 4.680 -3.965 6.223 1.00 0.00 N ATOM 809 CA GLY A 140 3.832 -2.896 6.717 1.00 0.00 C ATOM 810 C GLY A 140 4.003 -2.660 8.205 1.00 0.00 C ATOM 811 O GLY A 140 4.421 -1.581 8.625 1.00 0.00 O ATOM 0 H GLY A 140 4.186 -4.717 5.743 1.00 0.00 H new ATOM 0 HA2 GLY A 140 4.061 -1.977 6.178 1.00 0.00 H new ATOM 0 HA3 GLY A 140 2.790 -3.137 6.508 1.00 0.00 H new ATOM 815 N ASP A 141 3.679 -3.671 9.003 1.00 0.00 N ATOM 816 CA ASP A 141 3.798 -3.568 10.452 1.00 0.00 C ATOM 817 C ASP A 141 5.187 -4.000 10.914 1.00 0.00 C ATOM 818 O ASP A 141 5.366 -5.103 11.430 1.00 0.00 O ATOM 819 CB ASP A 141 2.729 -4.422 11.135 1.00 0.00 C ATOM 820 CG ASP A 141 2.740 -4.267 12.643 1.00 0.00 C ATOM 821 OD1 ASP A 141 3.301 -3.264 13.132 1.00 0.00 O ATOM 822 OD2 ASP A 141 2.189 -5.149 13.335 1.00 0.00 O ATOM 0 H ASP A 141 3.332 -4.571 8.671 1.00 0.00 H new ATOM 0 HA ASP A 141 3.650 -2.525 10.732 1.00 0.00 H new ATOM 0 HB2 ASP A 141 1.747 -4.145 10.751 1.00 0.00 H new ATOM 0 HB3 ASP A 141 2.887 -5.470 10.879 1.00 0.00 H new ATOM 827 N LYS A 142 6.166 -3.121 10.726 1.00 0.00 N ATOM 828 CA LYS A 142 7.539 -3.408 11.123 1.00 0.00 C ATOM 829 C LYS A 142 7.857 -2.782 12.478 1.00 0.00 C ATOM 830 O LYS A 142 9.003 -2.426 12.755 1.00 0.00 O ATOM 831 CB LYS A 142 8.517 -2.889 10.067 1.00 0.00 C ATOM 832 CG LYS A 142 9.743 -3.770 9.886 1.00 0.00 C ATOM 833 CD LYS A 142 11.024 -3.023 10.219 1.00 0.00 C ATOM 834 CE LYS A 142 12.209 -3.970 10.323 1.00 0.00 C ATOM 835 NZ LYS A 142 13.442 -3.268 10.777 1.00 0.00 N ATOM 0 H LYS A 142 6.033 -2.203 10.301 1.00 0.00 H new ATOM 0 HA LYS A 142 7.647 -4.489 11.208 1.00 0.00 H new ATOM 0 HB2 LYS A 142 7.997 -2.804 9.113 1.00 0.00 H new ATOM 0 HB3 LYS A 142 8.839 -1.885 10.345 1.00 0.00 H new ATOM 0 HG2 LYS A 142 9.657 -4.649 10.525 1.00 0.00 H new ATOM 0 HG3 LYS A 142 9.786 -4.127 8.857 1.00 0.00 H new ATOM 0 HD2 LYS A 142 11.221 -2.275 9.451 1.00 0.00 H new ATOM 0 HD3 LYS A 142 10.900 -2.488 11.161 1.00 0.00 H new ATOM 0 HE2 LYS A 142 11.971 -4.774 11.020 1.00 0.00 H new ATOM 0 HE3 LYS A 142 12.391 -4.432 9.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 14.227 -3.948 10.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 13.684 -2.517 10.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 13.277 -2.848 11.714 1.00 0.00 H new ATOM 849 N ASN A 143 6.836 -2.651 13.318 1.00 0.00 N ATOM 850 CA ASN A 143 7.005 -2.068 14.644 1.00 0.00 C ATOM 851 C ASN A 143 6.802 -3.115 15.738 1.00 0.00 C ATOM 852 O ASN A 143 7.160 -2.892 16.894 1.00 0.00 O ATOM 853 CB ASN A 143 6.023 -0.913 14.843 1.00 0.00 C ATOM 854 CG ASN A 143 6.287 0.240 13.895 1.00 0.00 C ATOM 855 OD1 ASN A 143 7.325 0.292 13.236 1.00 0.00 O ATOM 856 ND2 ASN A 143 5.344 1.173 13.820 1.00 0.00 N ATOM 0 H ASN A 143 5.882 -2.941 13.104 1.00 0.00 H new ATOM 0 HA ASN A 143 8.025 -1.691 14.716 1.00 0.00 H new ATOM 0 HB2 ASN A 143 5.006 -1.275 14.696 1.00 0.00 H new ATOM 0 HB3 ASN A 143 6.089 -0.557 15.871 1.00 0.00 H new ATOM 0 HD21 ASN A 143 5.466 1.972 13.198 1.00 0.00 H new ATOM 0 HD22 ASN A 143 4.499 1.090 14.385 1.00 0.00 H new ATOM 863 N ASN A 144 6.225 -4.257 15.369 1.00 0.00 N ATOM 864 CA ASN A 144 5.976 -5.332 16.324 1.00 0.00 C ATOM 865 C ASN A 144 4.939 -4.908 17.359 1.00 0.00 C ATOM 866 O ASN A 144 5.153 -5.048 18.564 1.00 0.00 O ATOM 867 CB ASN A 144 7.277 -5.741 17.021 1.00 0.00 C ATOM 868 CG ASN A 144 7.322 -7.223 17.339 1.00 0.00 C ATOM 869 OD1 ASN A 144 6.341 -7.941 17.143 1.00 0.00 O ATOM 870 ND2 ASN A 144 8.463 -7.688 17.832 1.00 0.00 N ATOM 0 H ASN A 144 5.922 -4.460 14.417 1.00 0.00 H new ATOM 0 HA ASN A 144 5.586 -6.189 15.775 1.00 0.00 H new ATOM 0 HB2 ASN A 144 8.123 -5.483 16.385 1.00 0.00 H new ATOM 0 HB3 ASN A 144 7.386 -5.171 17.944 1.00 0.00 H new ATOM 0 HD21 ASN A 144 8.553 -8.677 18.065 1.00 0.00 H new ATOM 0 HD22 ASN A 144 9.250 -7.056 17.978 1.00 0.00 H new ATOM 877 N ASP A 145 3.814 -4.387 16.880 1.00 0.00 N ATOM 878 CA ASP A 145 2.741 -3.942 17.761 1.00 0.00 C ATOM 879 C ASP A 145 1.486 -4.784 17.558 1.00 0.00 C ATOM 880 O ASP A 145 0.790 -5.120 18.516 1.00 0.00 O ATOM 881 CB ASP A 145 2.425 -2.466 17.509 1.00 0.00 C ATOM 882 CG ASP A 145 2.013 -2.200 16.075 1.00 0.00 C ATOM 883 OD1 ASP A 145 0.854 -2.506 15.724 1.00 0.00 O ATOM 884 OD2 ASP A 145 2.849 -1.687 15.302 1.00 0.00 O ATOM 0 H ASP A 145 3.622 -4.263 15.886 1.00 0.00 H new ATOM 0 HA ASP A 145 3.076 -4.064 18.791 1.00 0.00 H new ATOM 0 HB2 ASP A 145 1.625 -2.149 18.179 1.00 0.00 H new ATOM 0 HB3 ASP A 145 3.301 -1.863 17.750 1.00 0.00 H new ATOM 889 N GLY A 146 1.202 -5.122 16.304 1.00 0.00 N ATOM 890 CA GLY A 146 0.031 -5.922 16.000 1.00 0.00 C ATOM 891 C GLY A 146 -0.517 -5.651 14.613 1.00 0.00 C ATOM 892 O GLY A 146 -1.079 -6.542 13.976 1.00 0.00 O ATOM 0 H GLY A 146 1.762 -4.856 15.494 1.00 0.00 H new ATOM 0 HA2 GLY A 146 0.285 -6.978 16.086 1.00 0.00 H new ATOM 0 HA3 GLY A 146 -0.744 -5.720 16.739 1.00 0.00 H new ATOM 896 N ARG A 147 -0.355 -4.418 14.143 1.00 0.00 N ATOM 897 CA ARG A 147 -0.841 -4.035 12.822 1.00 0.00 C ATOM 898 C ARG A 147 -0.098 -2.809 12.299 1.00 0.00 C ATOM 899 O ARG A 147 0.822 -2.305 12.943 1.00 0.00 O ATOM 900 CB ARG A 147 -2.345 -3.752 12.873 1.00 0.00 C ATOM 901 CG ARG A 147 -3.199 -4.906 12.374 1.00 0.00 C ATOM 902 CD ARG A 147 -4.566 -4.917 13.039 1.00 0.00 C ATOM 903 NE ARG A 147 -4.655 -5.926 14.091 1.00 0.00 N ATOM 904 CZ ARG A 147 -5.575 -5.915 15.054 1.00 0.00 C ATOM 905 NH1 ARG A 147 -6.486 -4.951 15.100 1.00 0.00 N ATOM 906 NH2 ARG A 147 -5.585 -6.872 15.972 1.00 0.00 N ATOM 0 H ARG A 147 0.108 -3.668 14.656 1.00 0.00 H new ATOM 0 HA ARG A 147 -0.656 -4.865 12.140 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -2.628 -3.519 13.900 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -2.560 -2.867 12.275 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -3.320 -4.830 11.293 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -2.689 -5.849 12.572 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -4.771 -3.934 13.462 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -5.333 -5.108 12.288 1.00 0.00 H new ATOM 0 HE ARG A 147 -3.972 -6.684 14.088 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -6.484 -4.213 14.395 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -7.188 -4.948 15.840 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -4.888 -7.616 15.940 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -6.289 -6.864 16.710 1.00 0.00 H new ATOM 920 N ILE A 148 -0.508 -2.336 11.127 1.00 0.00 N ATOM 921 CA ILE A 148 0.111 -1.168 10.511 1.00 0.00 C ATOM 922 C ILE A 148 -0.891 -0.023 10.399 1.00 0.00 C ATOM 923 O ILE A 148 -2.020 -0.223 9.959 1.00 0.00 O ATOM 924 CB ILE A 148 0.680 -1.512 9.115 1.00 0.00 C ATOM 925 CG1 ILE A 148 1.772 -0.515 8.717 1.00 0.00 C ATOM 926 CG2 ILE A 148 -0.417 -1.561 8.062 1.00 0.00 C ATOM 927 CD1 ILE A 148 1.245 0.849 8.327 1.00 0.00 C ATOM 0 H ILE A 148 -1.268 -2.745 10.583 1.00 0.00 H new ATOM 0 HA ILE A 148 0.935 -0.853 11.151 1.00 0.00 H new ATOM 0 HB ILE A 148 1.124 -2.506 9.173 1.00 0.00 H new ATOM 0 HG12 ILE A 148 2.467 -0.401 9.549 1.00 0.00 H new ATOM 0 HG13 ILE A 148 2.339 -0.927 7.882 1.00 0.00 H new ATOM 0 HG21 ILE A 148 0.019 -1.805 7.093 1.00 0.00 H new ATOM 0 HG22 ILE A 148 -1.148 -2.323 8.333 1.00 0.00 H new ATOM 0 HG23 ILE A 148 -0.909 -0.590 8.004 1.00 0.00 H new ATOM 0 HD11 ILE A 148 2.079 1.498 8.059 1.00 0.00 H new ATOM 0 HD12 ILE A 148 0.573 0.749 7.474 1.00 0.00 H new ATOM 0 HD13 ILE A 148 0.703 1.283 9.167 1.00 0.00 H new ATOM 939 N ASP A 149 -0.475 1.173 10.807 1.00 0.00 N ATOM 940 CA ASP A 149 -1.352 2.339 10.759 1.00 0.00 C ATOM 941 C ASP A 149 -0.827 3.397 9.793 1.00 0.00 C ATOM 942 O ASP A 149 0.249 3.249 9.215 1.00 0.00 O ATOM 943 CB ASP A 149 -1.501 2.944 12.156 1.00 0.00 C ATOM 944 CG ASP A 149 -0.177 3.408 12.731 1.00 0.00 C ATOM 945 OD1 ASP A 149 0.204 4.571 12.480 1.00 0.00 O ATOM 946 OD2 ASP A 149 0.480 2.609 13.431 1.00 0.00 O ATOM 0 H ASP A 149 0.459 1.360 11.173 1.00 0.00 H new ATOM 0 HA ASP A 149 -2.325 2.006 10.399 1.00 0.00 H new ATOM 0 HB2 ASP A 149 -2.190 3.787 12.112 1.00 0.00 H new ATOM 0 HB3 ASP A 149 -1.944 2.205 12.823 1.00 0.00 H new ATOM 951 N TYR A 150 -1.606 4.462 9.625 1.00 0.00 N ATOM 952 CA TYR A 150 -1.241 5.557 8.730 1.00 0.00 C ATOM 953 C TYR A 150 0.112 6.153 9.111 1.00 0.00 C ATOM 954 O TYR A 150 0.185 7.140 9.844 1.00 0.00 O ATOM 955 CB TYR A 150 -2.320 6.642 8.762 1.00 0.00 C ATOM 956 CG TYR A 150 -2.129 7.735 7.731 1.00 0.00 C ATOM 957 CD1 TYR A 150 -1.602 7.456 6.476 1.00 0.00 C ATOM 958 CD2 TYR A 150 -2.480 9.048 8.017 1.00 0.00 C ATOM 959 CE1 TYR A 150 -1.431 8.456 5.536 1.00 0.00 C ATOM 960 CE2 TYR A 150 -2.312 10.053 7.083 1.00 0.00 C ATOM 961 CZ TYR A 150 -1.787 9.751 5.845 1.00 0.00 C ATOM 962 OH TYR A 150 -1.618 10.748 4.912 1.00 0.00 O ATOM 0 H TYR A 150 -2.499 4.590 10.100 1.00 0.00 H new ATOM 0 HA TYR A 150 -1.162 5.157 7.719 1.00 0.00 H new ATOM 0 HB2 TYR A 150 -3.293 6.176 8.606 1.00 0.00 H new ATOM 0 HB3 TYR A 150 -2.338 7.093 9.754 1.00 0.00 H new ATOM 0 HD1 TYR A 150 -1.321 6.442 6.231 1.00 0.00 H new ATOM 0 HD2 TYR A 150 -2.891 9.288 8.986 1.00 0.00 H new ATOM 0 HE1 TYR A 150 -1.020 8.223 4.565 1.00 0.00 H new ATOM 0 HE2 TYR A 150 -2.590 11.069 7.322 1.00 0.00 H new ATOM 0 HH TYR A 150 -1.028 10.430 4.197 1.00 0.00 H new ATOM 972 N ASP A 151 1.179 5.545 8.603 1.00 0.00 N ATOM 973 CA ASP A 151 2.537 6.002 8.878 1.00 0.00 C ATOM 974 C ASP A 151 3.546 5.108 8.169 1.00 0.00 C ATOM 975 O ASP A 151 4.233 5.540 7.244 1.00 0.00 O ATOM 976 CB ASP A 151 2.810 6.008 10.384 1.00 0.00 C ATOM 977 CG ASP A 151 4.194 6.530 10.719 1.00 0.00 C ATOM 978 OD1 ASP A 151 4.367 7.766 10.766 1.00 0.00 O ATOM 979 OD2 ASP A 151 5.104 5.702 10.935 1.00 0.00 O ATOM 0 H ASP A 151 1.128 4.728 7.994 1.00 0.00 H new ATOM 0 HA ASP A 151 2.639 7.020 8.503 1.00 0.00 H new ATOM 0 HB2 ASP A 151 2.062 6.623 10.884 1.00 0.00 H new ATOM 0 HB3 ASP A 151 2.702 4.996 10.774 1.00 0.00 H new ATOM 984 N GLU A 152 3.617 3.853 8.600 1.00 0.00 N ATOM 985 CA GLU A 152 4.528 2.892 7.994 1.00 0.00 C ATOM 986 C GLU A 152 4.056 2.532 6.589 1.00 0.00 C ATOM 987 O GLU A 152 4.849 2.131 5.737 1.00 0.00 O ATOM 988 CB GLU A 152 4.625 1.631 8.854 1.00 0.00 C ATOM 989 CG GLU A 152 4.880 1.917 10.325 1.00 0.00 C ATOM 990 CD GLU A 152 4.160 0.946 11.241 1.00 0.00 C ATOM 991 OE1 GLU A 152 4.712 -0.143 11.504 1.00 0.00 O ATOM 992 OE2 GLU A 152 3.043 1.275 11.694 1.00 0.00 O ATOM 0 H GLU A 152 3.055 3.479 9.365 1.00 0.00 H new ATOM 0 HA GLU A 152 5.517 3.346 7.929 1.00 0.00 H new ATOM 0 HB2 GLU A 152 3.699 1.063 8.758 1.00 0.00 H new ATOM 0 HB3 GLU A 152 5.427 1.000 8.471 1.00 0.00 H new ATOM 0 HG2 GLU A 152 5.951 1.869 10.520 1.00 0.00 H new ATOM 0 HG3 GLU A 152 4.560 2.933 10.555 1.00 0.00 H new ATOM 999 N PHE A 153 2.754 2.684 6.357 1.00 0.00 N ATOM 1000 CA PHE A 153 2.162 2.384 5.061 1.00 0.00 C ATOM 1001 C PHE A 153 2.726 3.311 3.986 1.00 0.00 C ATOM 1002 O PHE A 153 2.760 2.963 2.807 1.00 0.00 O ATOM 1003 CB PHE A 153 0.632 2.507 5.144 1.00 0.00 C ATOM 1004 CG PHE A 153 -0.001 3.227 3.984 1.00 0.00 C ATOM 1005 CD1 PHE A 153 -0.014 2.656 2.722 1.00 0.00 C ATOM 1006 CD2 PHE A 153 -0.582 4.473 4.158 1.00 0.00 C ATOM 1007 CE1 PHE A 153 -0.593 3.314 1.655 1.00 0.00 C ATOM 1008 CE2 PHE A 153 -1.163 5.136 3.095 1.00 0.00 C ATOM 1009 CZ PHE A 153 -1.169 4.556 1.841 1.00 0.00 C ATOM 0 H PHE A 153 2.088 3.015 7.055 1.00 0.00 H new ATOM 0 HA PHE A 153 2.414 1.360 4.785 1.00 0.00 H new ATOM 0 HB2 PHE A 153 0.203 1.507 5.212 1.00 0.00 H new ATOM 0 HB3 PHE A 153 0.372 3.029 6.065 1.00 0.00 H new ATOM 0 HD1 PHE A 153 0.434 1.685 2.571 1.00 0.00 H new ATOM 0 HD2 PHE A 153 -0.580 4.931 5.136 1.00 0.00 H new ATOM 0 HE1 PHE A 153 -0.596 2.858 0.676 1.00 0.00 H new ATOM 0 HE2 PHE A 153 -1.612 6.107 3.244 1.00 0.00 H new ATOM 0 HZ PHE A 153 -1.623 5.072 1.008 1.00 0.00 H new ATOM 1019 N LEU A 154 3.168 4.493 4.401 1.00 0.00 N ATOM 1020 CA LEU A 154 3.730 5.460 3.471 1.00 0.00 C ATOM 1021 C LEU A 154 4.987 4.900 2.816 1.00 0.00 C ATOM 1022 O LEU A 154 5.245 5.140 1.637 1.00 0.00 O ATOM 1023 CB LEU A 154 4.042 6.774 4.193 1.00 0.00 C ATOM 1024 CG LEU A 154 2.888 7.357 5.017 1.00 0.00 C ATOM 1025 CD1 LEU A 154 3.091 8.849 5.234 1.00 0.00 C ATOM 1026 CD2 LEU A 154 1.548 7.096 4.340 1.00 0.00 C ATOM 0 H LEU A 154 3.147 4.802 5.373 1.00 0.00 H new ATOM 0 HA LEU A 154 2.995 5.659 2.691 1.00 0.00 H new ATOM 0 HB2 LEU A 154 4.894 6.613 4.854 1.00 0.00 H new ATOM 0 HB3 LEU A 154 4.348 7.513 3.452 1.00 0.00 H new ATOM 0 HG LEU A 154 2.880 6.861 5.987 1.00 0.00 H new ATOM 0 HD11 LEU A 154 2.263 9.247 5.821 1.00 0.00 H new ATOM 0 HD12 LEU A 154 4.027 9.015 5.768 1.00 0.00 H new ATOM 0 HD13 LEU A 154 3.129 9.355 4.269 1.00 0.00 H new ATOM 0 HD21 LEU A 154 0.746 7.520 4.945 1.00 0.00 H new ATOM 0 HD22 LEU A 154 1.542 7.560 3.354 1.00 0.00 H new ATOM 0 HD23 LEU A 154 1.396 6.022 4.237 1.00 0.00 H new ATOM 1038 N GLU A 155 5.758 4.139 3.588 1.00 0.00 N ATOM 1039 CA GLU A 155 6.982 3.528 3.082 1.00 0.00 C ATOM 1040 C GLU A 155 6.664 2.527 1.975 1.00 0.00 C ATOM 1041 O GLU A 155 7.481 2.285 1.086 1.00 0.00 O ATOM 1042 CB GLU A 155 7.736 2.830 4.216 1.00 0.00 C ATOM 1043 CG GLU A 155 9.212 2.615 3.924 1.00 0.00 C ATOM 1044 CD GLU A 155 10.093 2.917 5.121 1.00 0.00 C ATOM 1045 OE1 GLU A 155 9.950 4.014 5.701 1.00 0.00 O ATOM 1046 OE2 GLU A 155 10.926 2.057 5.478 1.00 0.00 O ATOM 0 H GLU A 155 5.556 3.931 4.566 1.00 0.00 H new ATOM 0 HA GLU A 155 7.613 4.316 2.670 1.00 0.00 H new ATOM 0 HB2 GLU A 155 7.637 3.422 5.126 1.00 0.00 H new ATOM 0 HB3 GLU A 155 7.269 1.865 4.412 1.00 0.00 H new ATOM 0 HG2 GLU A 155 9.370 1.583 3.612 1.00 0.00 H new ATOM 0 HG3 GLU A 155 9.510 3.249 3.089 1.00 0.00 H new ATOM 1053 N PHE A 156 5.467 1.949 2.038 1.00 0.00 N ATOM 1054 CA PHE A 156 5.023 0.973 1.048 1.00 0.00 C ATOM 1055 C PHE A 156 5.111 1.547 -0.364 1.00 0.00 C ATOM 1056 O PHE A 156 5.758 0.973 -1.240 1.00 0.00 O ATOM 1057 CB PHE A 156 3.583 0.549 1.348 1.00 0.00 C ATOM 1058 CG PHE A 156 3.368 -0.938 1.360 1.00 0.00 C ATOM 1059 CD1 PHE A 156 3.080 -1.619 0.188 1.00 0.00 C ATOM 1060 CD2 PHE A 156 3.444 -1.652 2.545 1.00 0.00 C ATOM 1061 CE1 PHE A 156 2.873 -2.985 0.199 1.00 0.00 C ATOM 1062 CE2 PHE A 156 3.237 -3.017 2.562 1.00 0.00 C ATOM 1063 CZ PHE A 156 2.951 -3.685 1.387 1.00 0.00 C ATOM 0 H PHE A 156 4.783 2.142 2.770 1.00 0.00 H new ATOM 0 HA PHE A 156 5.678 0.104 1.105 1.00 0.00 H new ATOM 0 HB2 PHE A 156 3.291 0.955 2.317 1.00 0.00 H new ATOM 0 HB3 PHE A 156 2.923 0.994 0.604 1.00 0.00 H new ATOM 0 HD1 PHE A 156 3.017 -1.076 -0.744 1.00 0.00 H new ATOM 0 HD2 PHE A 156 3.668 -1.135 3.466 1.00 0.00 H new ATOM 0 HE1 PHE A 156 2.650 -3.505 -0.721 1.00 0.00 H new ATOM 0 HE2 PHE A 156 3.299 -3.562 3.493 1.00 0.00 H new ATOM 0 HZ PHE A 156 2.789 -4.753 1.397 1.00 0.00 H new ATOM 1073 N MET A 157 4.451 2.680 -0.575 1.00 0.00 N ATOM 1074 CA MET A 157 4.446 3.333 -1.880 1.00 0.00 C ATOM 1075 C MET A 157 5.664 4.234 -2.046 1.00 0.00 C ATOM 1076 O MET A 157 6.223 4.343 -3.137 1.00 0.00 O ATOM 1077 CB MET A 157 3.165 4.150 -2.062 1.00 0.00 C ATOM 1078 CG MET A 157 1.939 3.508 -1.434 1.00 0.00 C ATOM 1079 SD MET A 157 1.630 1.843 -2.054 1.00 0.00 S ATOM 1080 CE MET A 157 -0.081 1.616 -1.577 1.00 0.00 C ATOM 0 H MET A 157 3.912 3.166 0.141 1.00 0.00 H new ATOM 0 HA MET A 157 4.486 2.556 -2.644 1.00 0.00 H new ATOM 0 HB2 MET A 157 3.310 5.139 -1.627 1.00 0.00 H new ATOM 0 HB3 MET A 157 2.984 4.294 -3.127 1.00 0.00 H new ATOM 0 HG2 MET A 157 2.068 3.470 -0.352 1.00 0.00 H new ATOM 0 HG3 MET A 157 1.067 4.132 -1.630 1.00 0.00 H new ATOM 0 HE1 MET A 157 -0.581 0.979 -2.307 1.00 0.00 H new ATOM 0 HE2 MET A 157 -0.126 1.146 -0.595 1.00 0.00 H new ATOM 0 HE3 MET A 157 -0.580 2.585 -1.539 1.00 0.00 H new ATOM 1090 N LYS A 158 6.072 4.882 -0.958 1.00 0.00 N ATOM 1091 CA LYS A 158 7.228 5.776 -0.989 1.00 0.00 C ATOM 1092 C LYS A 158 8.416 5.110 -1.678 1.00 0.00 C ATOM 1093 O LYS A 158 9.201 5.769 -2.359 1.00 0.00 O ATOM 1094 CB LYS A 158 7.617 6.197 0.428 1.00 0.00 C ATOM 1095 CG LYS A 158 6.936 7.476 0.882 1.00 0.00 C ATOM 1096 CD LYS A 158 7.881 8.367 1.675 1.00 0.00 C ATOM 1097 CE LYS A 158 7.440 8.501 3.123 1.00 0.00 C ATOM 1098 NZ LYS A 158 8.201 7.592 4.024 1.00 0.00 N ATOM 0 H LYS A 158 5.621 4.806 -0.046 1.00 0.00 H new ATOM 0 HA LYS A 158 6.950 6.663 -1.559 1.00 0.00 H new ATOM 0 HB2 LYS A 158 7.365 5.394 1.120 1.00 0.00 H new ATOM 0 HB3 LYS A 158 8.698 6.332 0.476 1.00 0.00 H new ATOM 0 HG2 LYS A 158 6.567 8.020 0.013 1.00 0.00 H new ATOM 0 HG3 LYS A 158 6.069 7.229 1.495 1.00 0.00 H new ATOM 0 HD2 LYS A 158 8.889 7.954 1.638 1.00 0.00 H new ATOM 0 HD3 LYS A 158 7.924 9.354 1.214 1.00 0.00 H new ATOM 0 HE2 LYS A 158 7.576 9.532 3.449 1.00 0.00 H new ATOM 0 HE3 LYS A 158 6.375 8.280 3.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 7.869 7.715 5.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 8.052 6.606 3.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 9.214 7.819 3.971 1.00 0.00 H new ATOM 1112 N GLY A 159 8.536 3.798 -1.499 1.00 0.00 N ATOM 1113 CA GLY A 159 9.625 3.065 -2.114 1.00 0.00 C ATOM 1114 C GLY A 159 9.590 3.150 -3.626 1.00 0.00 C ATOM 1115 O GLY A 159 10.629 3.095 -4.284 1.00 0.00 O ATOM 0 H GLY A 159 7.899 3.231 -0.940 1.00 0.00 H new ATOM 0 HA2 GLY A 159 10.575 3.457 -1.752 1.00 0.00 H new ATOM 0 HA3 GLY A 159 9.575 2.020 -1.809 1.00 0.00 H new ATOM 1119 N VAL A 160 8.387 3.288 -4.179 1.00 0.00 N ATOM 1120 CA VAL A 160 8.211 3.385 -5.622 1.00 0.00 C ATOM 1121 C VAL A 160 9.122 4.454 -6.220 1.00 0.00 C ATOM 1122 O VAL A 160 9.579 4.330 -7.357 1.00 0.00 O ATOM 1123 CB VAL A 160 6.749 3.714 -5.982 1.00 0.00 C ATOM 1124 CG1 VAL A 160 6.549 3.696 -7.488 1.00 0.00 C ATOM 1125 CG2 VAL A 160 5.796 2.742 -5.301 1.00 0.00 C ATOM 0 H VAL A 160 7.519 3.335 -3.646 1.00 0.00 H new ATOM 0 HA VAL A 160 8.476 2.414 -6.040 1.00 0.00 H new ATOM 0 HB VAL A 160 6.527 4.718 -5.621 1.00 0.00 H new ATOM 0 HG11 VAL A 160 5.510 3.931 -7.720 1.00 0.00 H new ATOM 0 HG12 VAL A 160 7.201 4.437 -7.950 1.00 0.00 H new ATOM 0 HG13 VAL A 160 6.793 2.707 -7.876 1.00 0.00 H new ATOM 0 HG21 VAL A 160 4.769 2.992 -5.568 1.00 0.00 H new ATOM 0 HG22 VAL A 160 6.019 1.726 -5.626 1.00 0.00 H new ATOM 0 HG23 VAL A 160 5.917 2.811 -4.220 1.00 0.00 H new ATOM 1135 N GLU A 161 9.382 5.503 -5.447 1.00 0.00 N ATOM 1136 CA GLU A 161 10.238 6.593 -5.900 1.00 0.00 C ATOM 1137 C GLU A 161 11.703 6.168 -5.908 1.00 0.00 C ATOM 1138 O GLU A 161 12.268 6.015 -7.011 1.00 0.00 O ATOM 1139 CB GLU A 161 10.057 7.819 -5.002 1.00 0.00 C ATOM 1140 CG GLU A 161 8.745 8.552 -5.232 1.00 0.00 C ATOM 1141 CD GLU A 161 8.885 10.055 -5.088 1.00 0.00 C ATOM 1142 OE1 GLU A 161 9.599 10.499 -4.164 1.00 0.00 O ATOM 1143 OE2 GLU A 161 8.280 10.788 -5.899 1.00 0.00 O ATOM 1144 OXT GLU A 161 12.273 5.991 -4.811 1.00 0.00 O ATOM 0 H GLU A 161 9.012 5.621 -4.504 1.00 0.00 H new ATOM 0 HA GLU A 161 9.947 6.850 -6.918 1.00 0.00 H new ATOM 0 HB2 GLU A 161 10.111 7.507 -3.959 1.00 0.00 H new ATOM 0 HB3 GLU A 161 10.884 8.509 -5.172 1.00 0.00 H new ATOM 0 HG2 GLU A 161 8.373 8.319 -6.230 1.00 0.00 H new ATOM 0 HG3 GLU A 161 8.001 8.190 -4.522 1.00 0.00 H new ATOM 1226 N PHE B 132 5.062 -6.003 -6.198 1.00 0.00 N ATOM 1227 CA PHE B 132 5.034 -6.548 -7.550 1.00 0.00 C ATOM 1228 C PHE B 132 4.214 -5.654 -8.488 1.00 0.00 C ATOM 1229 O PHE B 132 4.640 -4.544 -8.808 1.00 0.00 O ATOM 1230 CB PHE B 132 4.493 -7.988 -7.525 1.00 0.00 C ATOM 1231 CG PHE B 132 3.472 -8.232 -6.443 1.00 0.00 C ATOM 1232 CD1 PHE B 132 3.861 -8.303 -5.114 1.00 0.00 C ATOM 1233 CD2 PHE B 132 2.127 -8.384 -6.750 1.00 0.00 C ATOM 1234 CE1 PHE B 132 2.932 -8.521 -4.115 1.00 0.00 C ATOM 1235 CE2 PHE B 132 1.194 -8.603 -5.754 1.00 0.00 C ATOM 1236 CZ PHE B 132 1.597 -8.670 -4.435 1.00 0.00 C ATOM 0 HA PHE B 132 6.052 -6.572 -7.939 1.00 0.00 H new ATOM 0 HB2 PHE B 132 4.046 -8.216 -8.493 1.00 0.00 H new ATOM 0 HB3 PHE B 132 5.326 -8.678 -7.389 1.00 0.00 H new ATOM 0 HD1 PHE B 132 4.903 -8.186 -4.857 1.00 0.00 H new ATOM 0 HD2 PHE B 132 1.806 -8.331 -7.780 1.00 0.00 H new ATOM 0 HE1 PHE B 132 3.250 -8.575 -3.084 1.00 0.00 H new ATOM 0 HE2 PHE B 132 0.151 -8.722 -6.007 1.00 0.00 H new ATOM 0 HZ PHE B 132 0.869 -8.839 -3.655 1.00 0.00 H new ATOM 1246 N ASP B 133 3.044 -6.122 -8.925 1.00 0.00 N ATOM 1247 CA ASP B 133 2.196 -5.336 -9.812 1.00 0.00 C ATOM 1248 C ASP B 133 1.570 -4.176 -9.048 1.00 0.00 C ATOM 1249 O ASP B 133 0.350 -4.086 -8.915 1.00 0.00 O ATOM 1250 CB ASP B 133 1.104 -6.215 -10.426 1.00 0.00 C ATOM 1251 CG ASP B 133 0.711 -5.762 -11.818 1.00 0.00 C ATOM 1252 OD1 ASP B 133 1.431 -6.103 -12.779 1.00 0.00 O ATOM 1253 OD2 ASP B 133 -0.318 -5.066 -11.947 1.00 0.00 O ATOM 0 H ASP B 133 2.666 -7.037 -8.679 1.00 0.00 H new ATOM 0 HA ASP B 133 2.812 -4.936 -10.617 1.00 0.00 H new ATOM 0 HB2 ASP B 133 1.453 -7.247 -10.468 1.00 0.00 H new ATOM 0 HB3 ASP B 133 0.225 -6.202 -9.781 1.00 0.00 H new ATOM 1258 N LEU B 134 2.423 -3.296 -8.541 1.00 0.00 N ATOM 1259 CA LEU B 134 1.978 -2.143 -7.779 1.00 0.00 C ATOM 1260 C LEU B 134 2.946 -0.984 -7.959 1.00 0.00 C ATOM 1261 O LEU B 134 2.543 0.130 -8.288 1.00 0.00 O ATOM 1262 CB LEU B 134 1.870 -2.503 -6.297 1.00 0.00 C ATOM 1263 CG LEU B 134 1.018 -3.736 -5.990 1.00 0.00 C ATOM 1264 CD1 LEU B 134 1.843 -5.006 -6.137 1.00 0.00 C ATOM 1265 CD2 LEU B 134 0.428 -3.643 -4.591 1.00 0.00 C ATOM 0 H LEU B 134 3.435 -3.362 -8.647 1.00 0.00 H new ATOM 0 HA LEU B 134 0.997 -1.842 -8.146 1.00 0.00 H new ATOM 0 HB2 LEU B 134 2.874 -2.667 -5.905 1.00 0.00 H new ATOM 0 HB3 LEU B 134 1.454 -1.650 -5.761 1.00 0.00 H new ATOM 0 HG LEU B 134 0.198 -3.773 -6.707 1.00 0.00 H new ATOM 0 HD11 LEU B 134 1.220 -5.872 -5.915 1.00 0.00 H new ATOM 0 HD12 LEU B 134 2.217 -5.081 -7.158 1.00 0.00 H new ATOM 0 HD13 LEU B 134 2.684 -4.976 -5.444 1.00 0.00 H new ATOM 0 HD21 LEU B 134 -0.175 -4.529 -4.391 1.00 0.00 H new ATOM 0 HD22 LEU B 134 1.234 -3.579 -3.860 1.00 0.00 H new ATOM 0 HD23 LEU B 134 -0.198 -2.754 -4.519 1.00 0.00 H new ATOM 1277 N ARG B 135 4.228 -1.258 -7.746 1.00 0.00 N ATOM 1278 CA ARG B 135 5.256 -0.232 -7.890 1.00 0.00 C ATOM 1279 C ARG B 135 5.304 0.287 -9.321 1.00 0.00 C ATOM 1280 O ARG B 135 4.523 -0.131 -10.175 1.00 0.00 O ATOM 1281 CB ARG B 135 6.631 -0.785 -7.508 1.00 0.00 C ATOM 1282 CG ARG B 135 7.561 0.248 -6.893 1.00 0.00 C ATOM 1283 CD ARG B 135 8.808 -0.399 -6.312 1.00 0.00 C ATOM 1284 NE ARG B 135 9.837 -0.615 -7.327 1.00 0.00 N ATOM 1285 CZ ARG B 135 9.912 -1.701 -8.095 1.00 0.00 C ATOM 1286 NH1 ARG B 135 9.023 -2.678 -7.967 1.00 0.00 N ATOM 1287 NH2 ARG B 135 10.880 -1.809 -8.994 1.00 0.00 N ATOM 0 H ARG B 135 4.580 -2.176 -7.475 1.00 0.00 H new ATOM 0 HA ARG B 135 5.000 0.588 -7.219 1.00 0.00 H new ATOM 0 HB2 ARG B 135 6.499 -1.606 -6.803 1.00 0.00 H new ATOM 0 HB3 ARG B 135 7.104 -1.202 -8.397 1.00 0.00 H new ATOM 0 HG2 ARG B 135 7.848 0.977 -7.651 1.00 0.00 H new ATOM 0 HG3 ARG B 135 7.034 0.793 -6.110 1.00 0.00 H new ATOM 0 HD2 ARG B 135 9.208 0.233 -5.519 1.00 0.00 H new ATOM 0 HD3 ARG B 135 8.543 -1.353 -5.856 1.00 0.00 H new ATOM 0 HE ARG B 135 10.542 0.111 -7.455 1.00 0.00 H new ATOM 0 HH11 ARG B 135 8.276 -2.600 -7.277 1.00 0.00 H new ATOM 0 HH12 ARG B 135 9.087 -3.506 -8.559 1.00 0.00 H new ATOM 0 HH21 ARG B 135 11.566 -1.061 -9.097 1.00 0.00 H new ATOM 0 HH22 ARG B 135 10.939 -2.640 -9.583 1.00 0.00 H new ATOM 1301 N GLY B 136 6.234 1.199 -9.571 1.00 0.00 N ATOM 1302 CA GLY B 136 6.388 1.770 -10.889 1.00 0.00 C ATOM 1303 C GLY B 136 5.122 2.442 -11.378 1.00 0.00 C ATOM 1304 O GLY B 136 4.721 2.277 -12.530 1.00 0.00 O ATOM 0 H GLY B 136 6.889 1.555 -8.875 1.00 0.00 H new ATOM 0 HA2 GLY B 136 7.200 2.497 -10.874 1.00 0.00 H new ATOM 0 HA3 GLY B 136 6.674 0.986 -11.590 1.00 0.00 H new ATOM 1308 N LYS B 137 4.494 3.198 -10.489 1.00 0.00 N ATOM 1309 CA LYS B 137 3.261 3.910 -10.801 1.00 0.00 C ATOM 1310 C LYS B 137 2.743 4.618 -9.556 1.00 0.00 C ATOM 1311 O LYS B 137 2.163 5.700 -9.637 1.00 0.00 O ATOM 1312 CB LYS B 137 2.199 2.945 -11.334 1.00 0.00 C ATOM 1313 CG LYS B 137 1.943 1.759 -10.421 1.00 0.00 C ATOM 1314 CD LYS B 137 1.180 0.657 -11.138 1.00 0.00 C ATOM 1315 CE LYS B 137 -0.302 0.697 -10.802 1.00 0.00 C ATOM 1316 NZ LYS B 137 -0.569 0.232 -9.412 1.00 0.00 N ATOM 0 H LYS B 137 4.823 3.336 -9.533 1.00 0.00 H new ATOM 0 HA LYS B 137 3.473 4.649 -11.573 1.00 0.00 H new ATOM 0 HB2 LYS B 137 1.266 3.489 -11.479 1.00 0.00 H new ATOM 0 HB3 LYS B 137 2.511 2.579 -12.312 1.00 0.00 H new ATOM 0 HG2 LYS B 137 2.893 1.367 -10.057 1.00 0.00 H new ATOM 0 HG3 LYS B 137 1.377 2.086 -9.548 1.00 0.00 H new ATOM 0 HD2 LYS B 137 1.313 0.762 -12.215 1.00 0.00 H new ATOM 0 HD3 LYS B 137 1.592 -0.313 -10.859 1.00 0.00 H new ATOM 0 HE2 LYS B 137 -0.674 1.714 -10.922 1.00 0.00 H new ATOM 0 HE3 LYS B 137 -0.851 0.071 -11.506 1.00 0.00 H new ATOM 0 HZ1 LYS B 137 -1.186 0.916 -8.930 1.00 0.00 H new ATOM 0 HZ2 LYS B 137 -1.037 -0.696 -9.440 1.00 0.00 H new ATOM 0 HZ3 LYS B 137 0.329 0.151 -8.894 1.00 0.00 H new ATOM 1330 N PHE B 138 2.972 3.998 -8.402 1.00 0.00 N ATOM 1331 CA PHE B 138 2.549 4.559 -7.126 1.00 0.00 C ATOM 1332 C PHE B 138 3.434 5.745 -6.742 1.00 0.00 C ATOM 1333 O PHE B 138 4.060 5.753 -5.681 1.00 0.00 O ATOM 1334 CB PHE B 138 2.607 3.478 -6.042 1.00 0.00 C ATOM 1335 CG PHE B 138 1.261 2.936 -5.655 1.00 0.00 C ATOM 1336 CD1 PHE B 138 0.688 1.901 -6.373 1.00 0.00 C ATOM 1337 CD2 PHE B 138 0.572 3.458 -4.572 1.00 0.00 C ATOM 1338 CE1 PHE B 138 -0.547 1.395 -6.021 1.00 0.00 C ATOM 1339 CE2 PHE B 138 -0.665 2.957 -4.214 1.00 0.00 C ATOM 1340 CZ PHE B 138 -1.225 1.923 -4.940 1.00 0.00 C ATOM 0 H PHE B 138 3.452 3.101 -8.326 1.00 0.00 H new ATOM 0 HA PHE B 138 1.523 4.915 -7.220 1.00 0.00 H new ATOM 0 HB2 PHE B 138 3.232 2.657 -6.394 1.00 0.00 H new ATOM 0 HB3 PHE B 138 3.091 3.890 -5.156 1.00 0.00 H new ATOM 0 HD1 PHE B 138 1.214 1.484 -7.219 1.00 0.00 H new ATOM 0 HD2 PHE B 138 1.007 4.265 -4.001 1.00 0.00 H new ATOM 0 HE1 PHE B 138 -0.983 0.587 -6.590 1.00 0.00 H new ATOM 0 HE2 PHE B 138 -1.193 3.373 -3.369 1.00 0.00 H new ATOM 0 HZ PHE B 138 -2.191 1.529 -4.662 1.00 0.00 H new