USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 389 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 127 TYR OH : rot -153:sc= 1.31 USER MOD Set 1.2: A 136 GLN : amide:sc= -3.51! C(o=-2.2!,f=-10!) USER MOD Set 2.1: A 112 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 128 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 175:sc= 0.878 (180deg=0.756) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 CYS SG : rot -10:sc= 1.06 USER MOD Single : A 99 SER OG : rot 123:sc= 1.24 USER MOD Single : A 103 SER OG : rot 115:sc= 1.2 USER MOD Single : A 107 CYS SG : rot 107:sc= 1.2 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot -4:sc= 0.205 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 155:sc= 0.571 USER MOD Single : A 123 CYS SG : rot -15:sc= -5.21! USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 137 ASN : amide:sc= 0 X(o=0,f=-2.1e-05) USER MOD Single : A 139 SER OG : rot 150:sc= 1.13 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 115 N TRP A 92 -8.830 3.676 -3.853 1.00 0.00 N ATOM 116 CA TRP A 92 -7.670 3.418 -4.641 1.00 0.00 C ATOM 117 C TRP A 92 -8.053 2.545 -5.808 1.00 0.00 C ATOM 118 O TRP A 92 -9.116 1.900 -5.766 1.00 0.00 O ATOM 119 CB TRP A 92 -6.652 2.682 -3.793 1.00 0.00 C ATOM 120 CG TRP A 92 -6.170 3.447 -2.605 1.00 0.00 C ATOM 121 CD1 TRP A 92 -6.654 3.390 -1.334 1.00 0.00 C ATOM 122 CD2 TRP A 92 -5.093 4.370 -2.582 1.00 0.00 C ATOM 123 NE1 TRP A 92 -5.941 4.228 -0.524 1.00 0.00 N ATOM 124 CE2 TRP A 92 -4.972 4.843 -1.267 1.00 0.00 C ATOM 125 CE3 TRP A 92 -4.217 4.838 -3.550 1.00 0.00 C ATOM 126 CZ2 TRP A 92 -4.003 5.767 -0.899 1.00 0.00 C ATOM 127 CZ3 TRP A 92 -3.259 5.742 -3.190 1.00 0.00 C ATOM 128 CH2 TRP A 92 -3.156 6.199 -1.874 1.00 0.00 C ATOM 0 HA TRP A 92 -7.249 4.357 -5.000 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -7.091 1.744 -3.452 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -5.796 2.425 -4.416 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -7.480 2.773 -1.013 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -6.105 4.371 0.472 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -4.291 4.493 -4.571 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -3.924 6.127 0.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -2.569 6.110 -3.935 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -2.385 6.913 -1.623 1.00 0.00 H new ATOM 139 N LYS A 93 -7.235 2.535 -6.841 1.00 0.00 N ATOM 140 CA LYS A 93 -7.434 1.650 -7.962 1.00 0.00 C ATOM 141 C LYS A 93 -6.098 0.970 -8.241 1.00 0.00 C ATOM 142 O LYS A 93 -5.054 1.424 -7.742 1.00 0.00 O ATOM 143 CB LYS A 93 -7.936 2.420 -9.211 1.00 0.00 C ATOM 144 CG LYS A 93 -6.862 3.160 -10.004 1.00 0.00 C ATOM 145 CD LYS A 93 -7.459 4.121 -11.018 1.00 0.00 C ATOM 146 CE LYS A 93 -8.139 5.298 -10.327 1.00 0.00 C ATOM 147 NZ LYS A 93 -7.183 6.082 -9.510 1.00 0.00 N ATOM 0 H LYS A 93 -6.417 3.139 -6.924 1.00 0.00 H new ATOM 0 HA LYS A 93 -8.201 0.912 -7.728 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.432 1.713 -9.877 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -8.689 3.141 -8.893 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -6.220 3.712 -9.317 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.230 2.437 -10.519 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -6.675 4.488 -11.681 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -8.182 3.594 -11.641 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -8.594 5.946 -11.076 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -8.945 4.931 -9.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -7.662 6.921 -9.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -6.831 5.494 -8.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -6.384 6.382 -10.104 1.00 0.00 H new ATOM 161 N VAL A 94 -6.120 -0.113 -8.969 1.00 0.00 N ATOM 162 CA VAL A 94 -4.894 -0.801 -9.325 1.00 0.00 C ATOM 163 C VAL A 94 -4.038 0.118 -10.201 1.00 0.00 C ATOM 164 O VAL A 94 -4.525 0.670 -11.188 1.00 0.00 O ATOM 165 CB VAL A 94 -5.189 -2.114 -10.080 1.00 0.00 C ATOM 166 CG1 VAL A 94 -3.901 -2.801 -10.484 1.00 0.00 C ATOM 167 CG2 VAL A 94 -6.011 -3.034 -9.210 1.00 0.00 C ATOM 0 H VAL A 94 -6.971 -0.544 -9.331 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.358 -1.052 -8.410 1.00 0.00 H new ATOM 0 HB VAL A 94 -5.751 -1.874 -10.983 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.132 -3.724 -11.015 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.326 -2.142 -11.135 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.317 -3.031 -9.593 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.215 -3.959 -9.750 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.460 -3.261 -8.297 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.952 -2.548 -8.954 1.00 0.00 H new ATOM 177 N GLY A 95 -2.791 0.300 -9.830 1.00 0.00 N ATOM 178 CA GLY A 95 -1.927 1.161 -10.592 1.00 0.00 C ATOM 179 C GLY A 95 -1.784 2.538 -9.985 1.00 0.00 C ATOM 180 O GLY A 95 -1.307 3.473 -10.648 1.00 0.00 O ATOM 0 H GLY A 95 -2.359 -0.133 -9.014 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -0.942 0.701 -10.672 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -2.318 1.255 -11.605 1.00 0.00 H new ATOM 184 N ASP A 96 -2.208 2.689 -8.752 1.00 0.00 N ATOM 185 CA ASP A 96 -2.029 3.948 -8.054 1.00 0.00 C ATOM 186 C ASP A 96 -0.862 3.833 -7.136 1.00 0.00 C ATOM 187 O ASP A 96 -0.618 2.767 -6.552 1.00 0.00 O ATOM 188 CB ASP A 96 -3.260 4.400 -7.236 1.00 0.00 C ATOM 189 CG ASP A 96 -4.410 4.944 -8.049 1.00 0.00 C ATOM 190 OD1 ASP A 96 -4.187 5.764 -8.961 1.00 0.00 O ATOM 191 OD2 ASP A 96 -5.581 4.643 -7.732 1.00 0.00 O ATOM 0 H ASP A 96 -2.677 1.963 -8.211 1.00 0.00 H new ATOM 0 HA ASP A 96 -1.871 4.704 -8.823 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -3.618 3.553 -6.652 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -2.944 5.165 -6.527 1.00 0.00 H new ATOM 196 N LYS A 97 -0.110 4.881 -7.048 1.00 0.00 N ATOM 197 CA LYS A 97 0.993 4.951 -6.154 1.00 0.00 C ATOM 198 C LYS A 97 0.503 5.334 -4.798 1.00 0.00 C ATOM 199 O LYS A 97 -0.427 6.146 -4.674 1.00 0.00 O ATOM 200 CB LYS A 97 1.991 5.965 -6.633 1.00 0.00 C ATOM 201 CG LYS A 97 2.473 5.677 -8.020 1.00 0.00 C ATOM 202 CD LYS A 97 3.695 6.483 -8.353 1.00 0.00 C ATOM 203 CE LYS A 97 3.411 7.984 -8.347 1.00 0.00 C ATOM 204 NZ LYS A 97 4.555 8.766 -8.847 1.00 0.00 N ATOM 0 H LYS A 97 -0.249 5.724 -7.605 1.00 0.00 H new ATOM 0 HA LYS A 97 1.478 3.976 -6.111 1.00 0.00 H new ATOM 0 HB2 LYS A 97 1.539 6.957 -6.606 1.00 0.00 H new ATOM 0 HB3 LYS A 97 2.842 5.984 -5.952 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.699 4.615 -8.115 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.682 5.900 -8.736 1.00 0.00 H new ATOM 0 HD2 LYS A 97 4.483 6.260 -7.633 1.00 0.00 H new ATOM 0 HD3 LYS A 97 4.067 6.189 -9.334 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.535 8.189 -8.963 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.170 8.303 -7.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 4.319 9.779 -8.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 5.385 8.591 -8.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 4.770 8.481 -9.824 1.00 0.00 H new ATOM 218 N CYS A 98 1.108 4.779 -3.808 1.00 0.00 N ATOM 219 CA CYS A 98 0.748 5.025 -2.443 1.00 0.00 C ATOM 220 C CYS A 98 1.967 4.784 -1.565 1.00 0.00 C ATOM 221 O CYS A 98 3.092 4.658 -2.067 1.00 0.00 O ATOM 222 CB CYS A 98 -0.411 4.089 -2.046 1.00 0.00 C ATOM 223 SG CYS A 98 -0.055 2.340 -2.244 1.00 0.00 S ATOM 0 H CYS A 98 1.884 4.127 -3.919 1.00 0.00 H new ATOM 0 HA CYS A 98 0.417 6.056 -2.313 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -0.674 4.278 -1.005 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -1.286 4.339 -2.646 1.00 0.00 H new ATOM 0 HG CYS A 98 1.061 2.195 -2.895 1.00 0.00 H new ATOM 229 N SER A 99 1.768 4.757 -0.301 1.00 0.00 N ATOM 230 CA SER A 99 2.794 4.421 0.615 1.00 0.00 C ATOM 231 C SER A 99 2.212 3.422 1.566 1.00 0.00 C ATOM 232 O SER A 99 1.010 3.490 1.893 1.00 0.00 O ATOM 233 CB SER A 99 3.287 5.628 1.375 1.00 0.00 C ATOM 234 OG SER A 99 3.573 6.716 0.501 1.00 0.00 O ATOM 0 H SER A 99 0.872 4.971 0.136 1.00 0.00 H new ATOM 0 HA SER A 99 3.653 4.017 0.078 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.535 5.933 2.103 1.00 0.00 H new ATOM 0 HB3 SER A 99 4.184 5.365 1.935 1.00 0.00 H new ATOM 0 HG SER A 99 3.047 7.498 0.769 1.00 0.00 H new ATOM 240 N ALA A 100 3.016 2.526 1.996 1.00 0.00 N ATOM 241 CA ALA A 100 2.581 1.451 2.814 1.00 0.00 C ATOM 242 C ALA A 100 3.565 1.220 3.931 1.00 0.00 C ATOM 243 O ALA A 100 4.711 1.699 3.868 1.00 0.00 O ATOM 244 CB ALA A 100 2.405 0.210 1.965 1.00 0.00 C ATOM 0 H ALA A 100 4.014 2.515 1.788 1.00 0.00 H new ATOM 0 HA ALA A 100 1.620 1.697 3.265 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.071 -0.616 2.593 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.662 0.401 1.191 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.355 -0.050 1.499 1.00 0.00 H new ATOM 250 N ILE A 101 3.118 0.543 4.950 1.00 0.00 N ATOM 251 CA ILE A 101 3.937 0.230 6.095 1.00 0.00 C ATOM 252 C ILE A 101 4.577 -1.118 5.855 1.00 0.00 C ATOM 253 O ILE A 101 3.874 -2.113 5.685 1.00 0.00 O ATOM 254 CB ILE A 101 3.084 0.155 7.412 1.00 0.00 C ATOM 255 CG1 ILE A 101 2.634 1.545 7.868 1.00 0.00 C ATOM 256 CG2 ILE A 101 3.834 -0.564 8.550 1.00 0.00 C ATOM 257 CD1 ILE A 101 3.751 2.390 8.439 1.00 0.00 C ATOM 0 H ILE A 101 2.164 0.187 5.014 1.00 0.00 H new ATOM 0 HA ILE A 101 4.683 1.015 6.219 1.00 0.00 H new ATOM 0 HB ILE A 101 2.198 -0.434 7.174 1.00 0.00 H new ATOM 0 HG12 ILE A 101 2.190 2.069 7.022 1.00 0.00 H new ATOM 0 HG13 ILE A 101 1.853 1.435 8.620 1.00 0.00 H new ATOM 0 HG21 ILE A 101 3.205 -0.591 9.440 1.00 0.00 H new ATOM 0 HG22 ILE A 101 4.072 -1.582 8.242 1.00 0.00 H new ATOM 0 HG23 ILE A 101 4.756 -0.028 8.774 1.00 0.00 H new ATOM 0 HD11 ILE A 101 3.356 3.360 8.740 1.00 0.00 H new ATOM 0 HD12 ILE A 101 4.180 1.888 9.306 1.00 0.00 H new ATOM 0 HD13 ILE A 101 4.523 2.532 7.683 1.00 0.00 H new ATOM 269 N TRP A 102 5.884 -1.146 5.826 1.00 0.00 N ATOM 270 CA TRP A 102 6.613 -2.369 5.597 1.00 0.00 C ATOM 271 C TRP A 102 6.461 -3.283 6.787 1.00 0.00 C ATOM 272 O TRP A 102 6.787 -2.895 7.873 1.00 0.00 O ATOM 273 CB TRP A 102 8.094 -2.064 5.375 1.00 0.00 C ATOM 274 CG TRP A 102 8.871 -3.225 4.830 1.00 0.00 C ATOM 275 CD1 TRP A 102 8.380 -4.249 4.082 1.00 0.00 C ATOM 276 CD2 TRP A 102 10.276 -3.455 4.940 1.00 0.00 C ATOM 277 NE1 TRP A 102 9.368 -5.115 3.751 1.00 0.00 N ATOM 278 CE2 TRP A 102 10.550 -4.651 4.248 1.00 0.00 C ATOM 279 CE3 TRP A 102 11.329 -2.779 5.556 1.00 0.00 C ATOM 280 CZ2 TRP A 102 11.826 -5.183 4.156 1.00 0.00 C ATOM 281 CZ3 TRP A 102 12.602 -3.308 5.459 1.00 0.00 C ATOM 282 CH2 TRP A 102 12.837 -4.500 4.764 1.00 0.00 C ATOM 0 H TRP A 102 6.473 -0.324 5.960 1.00 0.00 H new ATOM 0 HA TRP A 102 6.212 -2.858 4.709 1.00 0.00 H new ATOM 0 HB2 TRP A 102 8.184 -1.223 4.688 1.00 0.00 H new ATOM 0 HB3 TRP A 102 8.538 -1.752 6.320 1.00 0.00 H new ATOM 0 HD1 TRP A 102 7.345 -4.357 3.792 1.00 0.00 H new ATOM 0 HE1 TRP A 102 9.247 -5.975 3.216 1.00 0.00 H new ATOM 0 HE3 TRP A 102 11.153 -1.861 6.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 12.013 -6.104 3.623 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 13.428 -2.794 5.927 1.00 0.00 H new ATOM 0 HH2 TRP A 102 13.843 -4.888 4.708 1.00 0.00 H new ATOM 293 N SER A 103 6.011 -4.495 6.572 1.00 0.00 N ATOM 294 CA SER A 103 5.838 -5.466 7.647 1.00 0.00 C ATOM 295 C SER A 103 7.123 -5.763 8.399 1.00 0.00 C ATOM 296 O SER A 103 7.097 -6.153 9.570 1.00 0.00 O ATOM 297 CB SER A 103 5.290 -6.768 7.099 1.00 0.00 C ATOM 298 OG SER A 103 3.881 -6.790 7.081 1.00 0.00 O ATOM 0 H SER A 103 5.752 -4.845 5.650 1.00 0.00 H new ATOM 0 HA SER A 103 5.137 -5.013 8.348 1.00 0.00 H new ATOM 0 HB2 SER A 103 5.666 -6.921 6.088 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.656 -7.597 7.704 1.00 0.00 H new ATOM 0 HG SER A 103 3.566 -6.834 6.154 1.00 0.00 H new ATOM 304 N GLU A 104 8.232 -5.559 7.755 1.00 0.00 N ATOM 305 CA GLU A 104 9.473 -5.934 8.346 1.00 0.00 C ATOM 306 C GLU A 104 10.010 -4.859 9.260 1.00 0.00 C ATOM 307 O GLU A 104 10.479 -5.152 10.353 1.00 0.00 O ATOM 308 CB GLU A 104 10.472 -6.287 7.282 1.00 0.00 C ATOM 309 CG GLU A 104 9.978 -7.354 6.331 1.00 0.00 C ATOM 310 CD GLU A 104 9.664 -8.658 7.011 1.00 0.00 C ATOM 311 OE1 GLU A 104 10.600 -9.451 7.274 1.00 0.00 O ATOM 312 OE2 GLU A 104 8.487 -8.913 7.297 1.00 0.00 O ATOM 0 H GLU A 104 8.300 -5.138 6.828 1.00 0.00 H new ATOM 0 HA GLU A 104 9.294 -6.815 8.963 1.00 0.00 H new ATOM 0 HB2 GLU A 104 10.720 -5.390 6.714 1.00 0.00 H new ATOM 0 HB3 GLU A 104 11.392 -6.629 7.756 1.00 0.00 H new ATOM 0 HG2 GLU A 104 9.084 -6.993 5.823 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.733 -7.525 5.564 1.00 0.00 H new ATOM 319 N ASP A 105 9.913 -3.614 8.851 1.00 0.00 N ATOM 320 CA ASP A 105 10.496 -2.553 9.678 1.00 0.00 C ATOM 321 C ASP A 105 9.423 -1.683 10.285 1.00 0.00 C ATOM 322 O ASP A 105 9.652 -0.966 11.248 1.00 0.00 O ATOM 323 CB ASP A 105 11.434 -1.697 8.850 1.00 0.00 C ATOM 324 CG ASP A 105 12.266 -0.768 9.699 1.00 0.00 C ATOM 325 OD1 ASP A 105 13.220 -1.228 10.342 1.00 0.00 O ATOM 326 OD2 ASP A 105 11.997 0.430 9.719 1.00 0.00 O ATOM 0 H ASP A 105 9.459 -3.307 7.991 1.00 0.00 H new ATOM 0 HA ASP A 105 11.054 -3.029 10.484 1.00 0.00 H new ATOM 0 HB2 ASP A 105 12.093 -2.342 8.270 1.00 0.00 H new ATOM 0 HB3 ASP A 105 10.853 -1.111 8.138 1.00 0.00 H new ATOM 331 N GLY A 106 8.249 -1.758 9.723 1.00 0.00 N ATOM 332 CA GLY A 106 7.122 -0.992 10.223 1.00 0.00 C ATOM 333 C GLY A 106 7.102 0.437 9.720 1.00 0.00 C ATOM 334 O GLY A 106 6.270 1.234 10.141 1.00 0.00 O ATOM 0 H GLY A 106 8.039 -2.342 8.914 1.00 0.00 H new ATOM 0 HA2 GLY A 106 6.196 -1.487 9.930 1.00 0.00 H new ATOM 0 HA3 GLY A 106 7.149 -0.987 11.313 1.00 0.00 H new ATOM 338 N CYS A 107 8.010 0.773 8.837 1.00 0.00 N ATOM 339 CA CYS A 107 8.092 2.125 8.332 1.00 0.00 C ATOM 340 C CYS A 107 7.307 2.337 7.046 1.00 0.00 C ATOM 341 O CYS A 107 6.947 1.370 6.365 1.00 0.00 O ATOM 342 CB CYS A 107 9.532 2.548 8.183 1.00 0.00 C ATOM 343 SG CYS A 107 10.385 2.770 9.750 1.00 0.00 S ATOM 0 H CYS A 107 8.703 0.131 8.452 1.00 0.00 H new ATOM 0 HA CYS A 107 7.616 2.767 9.073 1.00 0.00 H new ATOM 0 HB2 CYS A 107 10.062 1.800 7.593 1.00 0.00 H new ATOM 0 HB3 CYS A 107 9.571 3.482 7.622 1.00 0.00 H new ATOM 0 HG CYS A 107 11.216 1.787 9.935 1.00 0.00 H new ATOM 349 N ILE A 108 7.040 3.601 6.736 1.00 0.00 N ATOM 350 CA ILE A 108 6.375 3.996 5.500 1.00 0.00 C ATOM 351 C ILE A 108 7.366 3.946 4.346 1.00 0.00 C ATOM 352 O ILE A 108 8.474 4.489 4.445 1.00 0.00 O ATOM 353 CB ILE A 108 5.831 5.454 5.572 1.00 0.00 C ATOM 354 CG1 ILE A 108 4.788 5.622 6.670 1.00 0.00 C ATOM 355 CG2 ILE A 108 5.228 5.851 4.239 1.00 0.00 C ATOM 356 CD1 ILE A 108 3.472 4.958 6.370 1.00 0.00 C ATOM 0 H ILE A 108 7.281 4.386 7.340 1.00 0.00 H new ATOM 0 HA ILE A 108 5.546 3.304 5.352 1.00 0.00 H new ATOM 0 HB ILE A 108 6.675 6.103 5.808 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.185 5.215 7.600 1.00 0.00 H new ATOM 0 HG13 ILE A 108 4.617 6.686 6.835 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.851 6.872 4.300 1.00 0.00 H new ATOM 0 HG22 ILE A 108 5.991 5.792 3.463 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.408 5.175 3.995 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.784 5.123 7.199 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.050 5.381 5.458 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.627 3.888 6.235 1.00 0.00 H new ATOM 368 N TYR A 109 6.974 3.296 3.296 1.00 0.00 N ATOM 369 CA TYR A 109 7.743 3.212 2.070 1.00 0.00 C ATOM 370 C TYR A 109 6.812 3.377 0.888 1.00 0.00 C ATOM 371 O TYR A 109 5.620 3.054 0.995 1.00 0.00 O ATOM 372 CB TYR A 109 8.463 1.878 1.970 1.00 0.00 C ATOM 373 CG TYR A 109 9.608 1.712 2.927 1.00 0.00 C ATOM 374 CD1 TYR A 109 10.880 2.121 2.577 1.00 0.00 C ATOM 375 CD2 TYR A 109 9.423 1.118 4.162 1.00 0.00 C ATOM 376 CE1 TYR A 109 11.939 1.947 3.431 1.00 0.00 C ATOM 377 CE2 TYR A 109 10.473 0.942 5.027 1.00 0.00 C ATOM 378 CZ TYR A 109 11.733 1.357 4.657 1.00 0.00 C ATOM 379 OH TYR A 109 12.790 1.183 5.514 1.00 0.00 O ATOM 0 H TYR A 109 6.088 2.792 3.255 1.00 0.00 H new ATOM 0 HA TYR A 109 8.491 4.004 2.071 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.743 1.078 2.143 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.836 1.757 0.953 1.00 0.00 H new ATOM 0 HD1 TYR A 109 11.043 2.585 1.616 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.436 0.787 4.450 1.00 0.00 H new ATOM 0 HE1 TYR A 109 12.928 2.271 3.143 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.313 0.482 5.991 1.00 0.00 H new ATOM 0 HH TYR A 109 12.476 0.753 6.337 1.00 0.00 H new ATOM 389 N PRO A 110 7.316 3.904 -0.239 1.00 0.00 N ATOM 390 CA PRO A 110 6.513 4.096 -1.441 1.00 0.00 C ATOM 391 C PRO A 110 6.199 2.766 -2.116 1.00 0.00 C ATOM 392 O PRO A 110 7.099 1.949 -2.387 1.00 0.00 O ATOM 393 CB PRO A 110 7.412 4.943 -2.338 1.00 0.00 C ATOM 394 CG PRO A 110 8.796 4.596 -1.912 1.00 0.00 C ATOM 395 CD PRO A 110 8.716 4.341 -0.439 1.00 0.00 C ATOM 0 HA PRO A 110 5.550 4.560 -1.228 1.00 0.00 H new ATOM 0 HB2 PRO A 110 7.251 4.713 -3.391 1.00 0.00 H new ATOM 0 HB3 PRO A 110 7.212 6.007 -2.210 1.00 0.00 H new ATOM 0 HG2 PRO A 110 9.160 3.716 -2.442 1.00 0.00 H new ATOM 0 HG3 PRO A 110 9.488 5.409 -2.131 1.00 0.00 H new ATOM 0 HD2 PRO A 110 9.424 3.574 -0.125 1.00 0.00 H new ATOM 0 HD3 PRO A 110 8.942 5.239 0.137 1.00 0.00 H new ATOM 403 N ALA A 111 4.957 2.547 -2.389 1.00 0.00 N ATOM 404 CA ALA A 111 4.538 1.335 -2.992 1.00 0.00 C ATOM 405 C ALA A 111 3.414 1.599 -3.942 1.00 0.00 C ATOM 406 O ALA A 111 2.627 2.504 -3.743 1.00 0.00 O ATOM 407 CB ALA A 111 4.120 0.335 -1.940 1.00 0.00 C ATOM 0 H ALA A 111 4.204 3.208 -2.198 1.00 0.00 H new ATOM 0 HA ALA A 111 5.375 0.913 -3.548 1.00 0.00 H new ATOM 0 HB1 ALA A 111 3.802 -0.589 -2.423 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.962 0.128 -1.280 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.294 0.743 -1.358 1.00 0.00 H new ATOM 413 N THR A 112 3.323 0.828 -4.950 1.00 0.00 N ATOM 414 CA THR A 112 2.290 1.012 -5.904 1.00 0.00 C ATOM 415 C THR A 112 1.339 -0.168 -5.789 1.00 0.00 C ATOM 416 O THR A 112 1.758 -1.274 -5.465 1.00 0.00 O ATOM 417 CB THR A 112 2.913 1.074 -7.311 1.00 0.00 C ATOM 418 OG1 THR A 112 4.083 1.921 -7.259 1.00 0.00 O ATOM 419 CG2 THR A 112 1.933 1.674 -8.301 1.00 0.00 C ATOM 0 H THR A 112 3.956 0.052 -5.144 1.00 0.00 H new ATOM 0 HA THR A 112 1.746 1.940 -5.727 1.00 0.00 H new ATOM 0 HB THR A 112 3.172 0.064 -7.629 1.00 0.00 H new ATOM 0 HG1 THR A 112 4.492 1.969 -8.148 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.391 1.710 -9.290 1.00 0.00 H new ATOM 0 HG22 THR A 112 1.033 1.060 -8.340 1.00 0.00 H new ATOM 0 HG23 THR A 112 1.670 2.684 -7.986 1.00 0.00 H new ATOM 427 N ILE A 113 0.090 0.068 -6.036 1.00 0.00 N ATOM 428 CA ILE A 113 -0.919 -0.951 -5.908 1.00 0.00 C ATOM 429 C ILE A 113 -0.876 -1.890 -7.091 1.00 0.00 C ATOM 430 O ILE A 113 -1.001 -1.457 -8.240 1.00 0.00 O ATOM 431 CB ILE A 113 -2.307 -0.315 -5.807 1.00 0.00 C ATOM 432 CG1 ILE A 113 -2.318 0.691 -4.663 1.00 0.00 C ATOM 433 CG2 ILE A 113 -3.359 -1.390 -5.583 1.00 0.00 C ATOM 434 CD1 ILE A 113 -3.568 1.495 -4.581 1.00 0.00 C ATOM 0 H ILE A 113 -0.267 0.976 -6.334 1.00 0.00 H new ATOM 0 HA ILE A 113 -0.718 -1.517 -4.999 1.00 0.00 H new ATOM 0 HB ILE A 113 -2.540 0.202 -6.738 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -2.177 0.159 -3.722 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -1.470 1.366 -4.777 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -4.343 -0.927 -5.513 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -3.347 -2.091 -6.418 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -3.142 -1.924 -4.658 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -3.500 2.188 -3.742 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -3.701 2.056 -5.506 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -4.419 0.830 -4.435 1.00 0.00 H new ATOM 446 N ALA A 114 -0.686 -3.153 -6.816 1.00 0.00 N ATOM 447 CA ALA A 114 -0.612 -4.156 -7.848 1.00 0.00 C ATOM 448 C ALA A 114 -1.956 -4.822 -8.045 1.00 0.00 C ATOM 449 O ALA A 114 -2.296 -5.227 -9.153 1.00 0.00 O ATOM 450 CB ALA A 114 0.441 -5.189 -7.509 1.00 0.00 C ATOM 0 H ALA A 114 -0.578 -3.517 -5.869 1.00 0.00 H new ATOM 0 HA ALA A 114 -0.331 -3.665 -8.780 1.00 0.00 H new ATOM 0 HB1 ALA A 114 0.483 -5.939 -8.299 1.00 0.00 H new ATOM 0 HB2 ALA A 114 1.412 -4.702 -7.418 1.00 0.00 H new ATOM 0 HB3 ALA A 114 0.187 -5.671 -6.565 1.00 0.00 H new ATOM 456 N SER A 115 -2.720 -4.958 -6.974 1.00 0.00 N ATOM 457 CA SER A 115 -4.040 -5.592 -7.043 1.00 0.00 C ATOM 458 C SER A 115 -4.850 -5.188 -5.834 1.00 0.00 C ATOM 459 O SER A 115 -4.276 -4.942 -4.785 1.00 0.00 O ATOM 460 CB SER A 115 -3.903 -7.117 -7.039 1.00 0.00 C ATOM 461 OG SER A 115 -3.103 -7.592 -8.116 1.00 0.00 O ATOM 0 H SER A 115 -2.455 -4.640 -6.042 1.00 0.00 H new ATOM 0 HA SER A 115 -4.530 -5.272 -7.962 1.00 0.00 H new ATOM 0 HB2 SER A 115 -3.463 -7.437 -6.094 1.00 0.00 H new ATOM 0 HB3 SER A 115 -4.893 -7.568 -7.099 1.00 0.00 H new ATOM 0 HG SER A 115 -2.846 -6.840 -8.689 1.00 0.00 H new ATOM 467 N ILE A 116 -6.157 -5.096 -5.977 1.00 0.00 N ATOM 468 CA ILE A 116 -7.028 -4.764 -4.880 1.00 0.00 C ATOM 469 C ILE A 116 -8.124 -5.805 -4.736 1.00 0.00 C ATOM 470 O ILE A 116 -8.717 -6.239 -5.722 1.00 0.00 O ATOM 471 CB ILE A 116 -7.705 -3.397 -5.106 1.00 0.00 C ATOM 472 CG1 ILE A 116 -6.674 -2.284 -5.206 1.00 0.00 C ATOM 473 CG2 ILE A 116 -8.715 -3.112 -4.007 1.00 0.00 C ATOM 474 CD1 ILE A 116 -7.257 -0.977 -5.608 1.00 0.00 C ATOM 0 H ILE A 116 -6.641 -5.251 -6.861 1.00 0.00 H new ATOM 0 HA ILE A 116 -6.414 -4.731 -3.980 1.00 0.00 H new ATOM 0 HB ILE A 116 -8.239 -3.436 -6.055 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -6.177 -2.171 -4.243 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -5.909 -2.570 -5.928 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -9.182 -2.143 -4.184 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -9.480 -3.889 -4.005 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -8.209 -3.100 -3.042 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -6.468 -0.227 -5.660 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -7.730 -1.075 -6.585 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -8.001 -0.669 -4.874 1.00 0.00 H new ATOM 486 N ASP A 117 -8.377 -6.204 -3.535 1.00 0.00 N ATOM 487 CA ASP A 117 -9.492 -7.063 -3.255 1.00 0.00 C ATOM 488 C ASP A 117 -10.448 -6.234 -2.465 1.00 0.00 C ATOM 489 O ASP A 117 -10.247 -6.005 -1.269 1.00 0.00 O ATOM 490 CB ASP A 117 -9.111 -8.309 -2.462 1.00 0.00 C ATOM 491 CG ASP A 117 -10.255 -9.303 -2.423 1.00 0.00 C ATOM 492 OD1 ASP A 117 -11.155 -9.169 -1.577 1.00 0.00 O ATOM 493 OD2 ASP A 117 -10.276 -10.234 -3.266 1.00 0.00 O ATOM 0 H ASP A 117 -7.822 -5.948 -2.718 1.00 0.00 H new ATOM 0 HA ASP A 117 -9.914 -7.432 -4.190 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -8.235 -8.776 -2.912 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.836 -8.027 -1.446 1.00 0.00 H new ATOM 498 N PHE A 118 -11.449 -5.729 -3.126 1.00 0.00 N ATOM 499 CA PHE A 118 -12.385 -4.817 -2.512 1.00 0.00 C ATOM 500 C PHE A 118 -13.207 -5.487 -1.432 1.00 0.00 C ATOM 501 O PHE A 118 -13.667 -4.824 -0.497 1.00 0.00 O ATOM 502 CB PHE A 118 -13.279 -4.156 -3.557 1.00 0.00 C ATOM 503 CG PHE A 118 -12.534 -3.250 -4.506 1.00 0.00 C ATOM 504 CD1 PHE A 118 -12.146 -1.981 -4.110 1.00 0.00 C ATOM 505 CD2 PHE A 118 -12.216 -3.668 -5.785 1.00 0.00 C ATOM 506 CE1 PHE A 118 -11.460 -1.150 -4.972 1.00 0.00 C ATOM 507 CE2 PHE A 118 -11.531 -2.843 -6.649 1.00 0.00 C ATOM 508 CZ PHE A 118 -11.154 -1.582 -6.243 1.00 0.00 C ATOM 0 H PHE A 118 -11.644 -5.934 -4.106 1.00 0.00 H new ATOM 0 HA PHE A 118 -11.799 -4.035 -2.029 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -13.786 -4.931 -4.131 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -14.052 -3.579 -3.049 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -12.383 -1.637 -3.114 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -12.509 -4.655 -6.111 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -11.164 -0.163 -4.650 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -11.289 -3.185 -7.645 1.00 0.00 H new ATOM 0 HZ PHE A 118 -10.619 -0.933 -6.921 1.00 0.00 H new ATOM 518 N LYS A 119 -13.335 -6.797 -1.528 1.00 0.00 N ATOM 519 CA LYS A 119 -14.110 -7.572 -0.584 1.00 0.00 C ATOM 520 C LYS A 119 -13.382 -7.655 0.754 1.00 0.00 C ATOM 521 O LYS A 119 -14.013 -7.601 1.818 1.00 0.00 O ATOM 522 CB LYS A 119 -14.374 -8.969 -1.136 1.00 0.00 C ATOM 523 CG LYS A 119 -15.080 -8.986 -2.485 1.00 0.00 C ATOM 524 CD LYS A 119 -16.453 -8.353 -2.409 1.00 0.00 C ATOM 525 CE LYS A 119 -17.142 -8.376 -3.757 1.00 0.00 C ATOM 526 NZ LYS A 119 -18.490 -7.805 -3.688 1.00 0.00 N ATOM 0 H LYS A 119 -12.902 -7.353 -2.266 1.00 0.00 H new ATOM 0 HA LYS A 119 -15.068 -7.076 -0.427 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -13.424 -9.496 -1.229 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -14.977 -9.523 -0.417 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -14.475 -8.454 -3.219 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -15.173 -10.015 -2.834 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -17.061 -8.885 -1.678 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -16.363 -7.324 -2.061 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -16.547 -7.817 -4.479 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -17.200 -9.403 -4.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -18.930 -7.838 -4.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -19.066 -8.354 -3.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -18.433 -6.817 -3.367 1.00 0.00 H new ATOM 540 N ARG A 120 -12.052 -7.774 0.697 1.00 0.00 N ATOM 541 CA ARG A 120 -11.241 -7.799 1.916 1.00 0.00 C ATOM 542 C ARG A 120 -10.875 -6.386 2.324 1.00 0.00 C ATOM 543 O ARG A 120 -10.343 -6.169 3.414 1.00 0.00 O ATOM 544 CB ARG A 120 -9.909 -8.512 1.687 1.00 0.00 C ATOM 545 CG ARG A 120 -9.937 -9.959 1.272 1.00 0.00 C ATOM 546 CD ARG A 120 -8.504 -10.429 1.060 1.00 0.00 C ATOM 547 NE ARG A 120 -8.400 -11.817 0.612 1.00 0.00 N ATOM 548 CZ ARG A 120 -7.273 -12.376 0.126 1.00 0.00 C ATOM 549 NH1 ARG A 120 -6.132 -11.667 0.053 1.00 0.00 N ATOM 550 NH2 ARG A 120 -7.281 -13.653 -0.265 1.00 0.00 N ATOM 0 H ARG A 120 -11.520 -7.854 -0.170 1.00 0.00 H new ATOM 0 HA ARG A 120 -11.835 -8.311 2.673 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -9.362 -7.958 0.924 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -9.331 -8.441 2.609 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -10.424 -10.563 2.037 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -10.514 -10.079 0.355 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -8.024 -9.783 0.325 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -7.952 -10.316 1.993 1.00 0.00 H new ATOM 0 HE ARG A 120 -9.234 -12.401 0.671 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -6.114 -10.697 0.367 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -5.285 -12.100 -0.316 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -8.138 -14.202 -0.196 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -6.430 -14.079 -0.633 1.00 0.00 H new ATOM 564 N GLU A 121 -11.177 -5.429 1.439 1.00 0.00 N ATOM 565 CA GLU A 121 -10.793 -4.024 1.583 1.00 0.00 C ATOM 566 C GLU A 121 -9.242 -3.916 1.622 1.00 0.00 C ATOM 567 O GLU A 121 -8.666 -2.943 2.123 1.00 0.00 O ATOM 568 CB GLU A 121 -11.430 -3.401 2.844 1.00 0.00 C ATOM 569 CG GLU A 121 -11.273 -1.885 2.943 1.00 0.00 C ATOM 570 CD GLU A 121 -11.744 -1.334 4.246 1.00 0.00 C ATOM 571 OE1 GLU A 121 -12.962 -1.105 4.403 1.00 0.00 O ATOM 572 OE2 GLU A 121 -10.911 -1.111 5.148 1.00 0.00 O ATOM 0 H GLU A 121 -11.706 -5.615 0.587 1.00 0.00 H new ATOM 0 HA GLU A 121 -11.165 -3.462 0.726 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -12.492 -3.646 2.860 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -10.984 -3.859 3.727 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -10.224 -1.624 2.802 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -11.830 -1.414 2.133 1.00 0.00 H new ATOM 579 N THR A 122 -8.575 -4.881 1.049 1.00 0.00 N ATOM 580 CA THR A 122 -7.150 -4.895 1.083 1.00 0.00 C ATOM 581 C THR A 122 -6.588 -4.930 -0.315 1.00 0.00 C ATOM 582 O THR A 122 -7.283 -5.276 -1.264 1.00 0.00 O ATOM 583 CB THR A 122 -6.600 -6.077 1.904 1.00 0.00 C ATOM 584 OG1 THR A 122 -7.065 -7.315 1.360 1.00 0.00 O ATOM 585 CG2 THR A 122 -7.012 -5.987 3.364 1.00 0.00 C ATOM 0 H THR A 122 -9.001 -5.665 0.555 1.00 0.00 H new ATOM 0 HA THR A 122 -6.832 -3.976 1.576 1.00 0.00 H new ATOM 0 HB THR A 122 -5.512 -6.032 1.850 1.00 0.00 H new ATOM 0 HG1 THR A 122 -6.441 -8.032 1.598 1.00 0.00 H new ATOM 0 HG21 THR A 122 -6.605 -6.838 3.910 1.00 0.00 H new ATOM 0 HG22 THR A 122 -6.627 -5.062 3.794 1.00 0.00 H new ATOM 0 HG23 THR A 122 -8.100 -5.996 3.436 1.00 0.00 H new ATOM 593 N CYS A 123 -5.363 -4.572 -0.442 1.00 0.00 N ATOM 594 CA CYS A 123 -4.704 -4.537 -1.694 1.00 0.00 C ATOM 595 C CYS A 123 -3.256 -4.889 -1.533 1.00 0.00 C ATOM 596 O CYS A 123 -2.673 -4.651 -0.487 1.00 0.00 O ATOM 597 CB CYS A 123 -4.861 -3.164 -2.296 1.00 0.00 C ATOM 598 SG CYS A 123 -4.419 -1.836 -1.167 1.00 0.00 S ATOM 0 H CYS A 123 -4.776 -4.288 0.343 1.00 0.00 H new ATOM 0 HA CYS A 123 -5.151 -5.272 -2.363 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.240 -3.094 -3.189 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -5.895 -3.031 -2.615 1.00 0.00 H new ATOM 0 HG CYS A 123 -4.347 -2.302 0.044 1.00 0.00 H new ATOM 604 N VAL A 124 -2.688 -5.433 -2.557 1.00 0.00 N ATOM 605 CA VAL A 124 -1.309 -5.808 -2.541 1.00 0.00 C ATOM 606 C VAL A 124 -0.533 -4.678 -3.150 1.00 0.00 C ATOM 607 O VAL A 124 -0.880 -4.188 -4.249 1.00 0.00 O ATOM 608 CB VAL A 124 -1.051 -7.112 -3.353 1.00 0.00 C ATOM 609 CG1 VAL A 124 0.420 -7.514 -3.295 1.00 0.00 C ATOM 610 CG2 VAL A 124 -1.930 -8.249 -2.847 1.00 0.00 C ATOM 0 H VAL A 124 -3.168 -5.632 -3.435 1.00 0.00 H new ATOM 0 HA VAL A 124 -1.000 -6.003 -1.514 1.00 0.00 H new ATOM 0 HB VAL A 124 -1.309 -6.911 -4.393 1.00 0.00 H new ATOM 0 HG11 VAL A 124 0.571 -8.427 -3.870 1.00 0.00 H new ATOM 0 HG12 VAL A 124 1.032 -6.716 -3.715 1.00 0.00 H new ATOM 0 HG13 VAL A 124 0.709 -7.686 -2.258 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -1.732 -9.149 -3.429 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -1.709 -8.440 -1.797 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -2.979 -7.972 -2.952 1.00 0.00 H new ATOM 620 N VAL A 125 0.492 -4.262 -2.473 1.00 0.00 N ATOM 621 CA VAL A 125 1.281 -3.167 -2.919 1.00 0.00 C ATOM 622 C VAL A 125 2.693 -3.641 -3.172 1.00 0.00 C ATOM 623 O VAL A 125 3.188 -4.560 -2.513 1.00 0.00 O ATOM 624 CB VAL A 125 1.311 -2.023 -1.852 1.00 0.00 C ATOM 625 CG1 VAL A 125 -0.088 -1.481 -1.579 1.00 0.00 C ATOM 626 CG2 VAL A 125 1.968 -2.493 -0.547 1.00 0.00 C ATOM 0 H VAL A 125 0.802 -4.676 -1.594 1.00 0.00 H new ATOM 0 HA VAL A 125 0.840 -2.776 -3.836 1.00 0.00 H new ATOM 0 HB VAL A 125 1.914 -1.214 -2.264 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -0.032 -0.688 -0.833 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -0.510 -1.083 -2.502 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -0.723 -2.285 -1.207 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.973 -1.675 0.173 1.00 0.00 H new ATOM 0 HG22 VAL A 125 1.406 -3.333 -0.138 1.00 0.00 H new ATOM 0 HG23 VAL A 125 2.993 -2.806 -0.748 1.00 0.00 H new ATOM 636 N VAL A 126 3.305 -3.059 -4.156 1.00 0.00 N ATOM 637 CA VAL A 126 4.652 -3.365 -4.512 1.00 0.00 C ATOM 638 C VAL A 126 5.511 -2.180 -4.180 1.00 0.00 C ATOM 639 O VAL A 126 5.306 -1.091 -4.727 1.00 0.00 O ATOM 640 CB VAL A 126 4.801 -3.680 -6.019 1.00 0.00 C ATOM 641 CG1 VAL A 126 6.260 -3.964 -6.361 1.00 0.00 C ATOM 642 CG2 VAL A 126 3.932 -4.857 -6.408 1.00 0.00 C ATOM 0 H VAL A 126 2.873 -2.346 -4.744 1.00 0.00 H new ATOM 0 HA VAL A 126 4.957 -4.251 -3.955 1.00 0.00 H new ATOM 0 HB VAL A 126 4.473 -2.808 -6.585 1.00 0.00 H new ATOM 0 HG11 VAL A 126 6.348 -4.184 -7.425 1.00 0.00 H new ATOM 0 HG12 VAL A 126 6.867 -3.091 -6.119 1.00 0.00 H new ATOM 0 HG13 VAL A 126 6.609 -4.820 -5.783 1.00 0.00 H new ATOM 0 HG21 VAL A 126 4.052 -5.062 -7.472 1.00 0.00 H new ATOM 0 HG22 VAL A 126 4.230 -5.734 -5.834 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.888 -4.623 -6.199 1.00 0.00 H new ATOM 652 N TYR A 127 6.449 -2.382 -3.306 1.00 0.00 N ATOM 653 CA TYR A 127 7.344 -1.338 -2.890 1.00 0.00 C ATOM 654 C TYR A 127 8.264 -0.966 -4.014 1.00 0.00 C ATOM 655 O TYR A 127 9.046 -1.807 -4.518 1.00 0.00 O ATOM 656 CB TYR A 127 8.124 -1.747 -1.663 1.00 0.00 C ATOM 657 CG TYR A 127 7.247 -1.981 -0.470 1.00 0.00 C ATOM 658 CD1 TYR A 127 6.821 -0.918 0.298 1.00 0.00 C ATOM 659 CD2 TYR A 127 6.843 -3.262 -0.110 1.00 0.00 C ATOM 660 CE1 TYR A 127 6.018 -1.109 1.382 1.00 0.00 C ATOM 661 CE2 TYR A 127 6.043 -3.468 0.977 1.00 0.00 C ATOM 662 CZ TYR A 127 5.629 -2.376 1.726 1.00 0.00 C ATOM 663 OH TYR A 127 4.794 -2.543 2.795 1.00 0.00 O ATOM 0 H TYR A 127 6.619 -3.282 -2.856 1.00 0.00 H new ATOM 0 HA TYR A 127 6.751 -0.462 -2.625 1.00 0.00 H new ATOM 0 HB2 TYR A 127 8.684 -2.656 -1.880 1.00 0.00 H new ATOM 0 HB3 TYR A 127 8.853 -0.972 -1.426 1.00 0.00 H new ATOM 0 HD1 TYR A 127 7.129 0.083 0.036 1.00 0.00 H new ATOM 0 HD2 TYR A 127 7.167 -4.107 -0.699 1.00 0.00 H new ATOM 0 HE1 TYR A 127 5.689 -0.264 1.968 1.00 0.00 H new ATOM 0 HE2 TYR A 127 5.737 -4.467 1.250 1.00 0.00 H new ATOM 0 HH TYR A 127 4.934 -3.432 3.184 1.00 0.00 H new ATOM 673 N THR A 128 8.162 0.265 -4.408 1.00 0.00 N ATOM 674 CA THR A 128 8.878 0.789 -5.520 1.00 0.00 C ATOM 675 C THR A 128 10.388 0.757 -5.277 1.00 0.00 C ATOM 676 O THR A 128 10.875 1.161 -4.217 1.00 0.00 O ATOM 677 CB THR A 128 8.413 2.222 -5.790 1.00 0.00 C ATOM 678 OG1 THR A 128 6.977 2.216 -5.970 1.00 0.00 O ATOM 679 CG2 THR A 128 9.087 2.777 -7.029 1.00 0.00 C ATOM 0 H THR A 128 7.560 0.949 -3.949 1.00 0.00 H new ATOM 0 HA THR A 128 8.673 0.166 -6.390 1.00 0.00 H new ATOM 0 HB THR A 128 8.682 2.856 -4.945 1.00 0.00 H new ATOM 0 HG1 THR A 128 6.665 3.129 -6.142 1.00 0.00 H new ATOM 0 HG21 THR A 128 8.743 3.796 -7.204 1.00 0.00 H new ATOM 0 HG22 THR A 128 10.168 2.778 -6.886 1.00 0.00 H new ATOM 0 HG23 THR A 128 8.835 2.156 -7.889 1.00 0.00 H new ATOM 687 N GLY A 129 11.108 0.238 -6.255 1.00 0.00 N ATOM 688 CA GLY A 129 12.540 0.157 -6.172 1.00 0.00 C ATOM 689 C GLY A 129 12.994 -1.139 -5.557 1.00 0.00 C ATOM 690 O GLY A 129 14.088 -1.627 -5.840 1.00 0.00 O ATOM 0 H GLY A 129 10.713 -0.134 -7.119 1.00 0.00 H new ATOM 0 HA2 GLY A 129 12.968 0.255 -7.170 1.00 0.00 H new ATOM 0 HA3 GLY A 129 12.917 0.991 -5.581 1.00 0.00 H new ATOM 694 N TYR A 130 12.155 -1.714 -4.740 1.00 0.00 N ATOM 695 CA TYR A 130 12.501 -2.930 -4.056 1.00 0.00 C ATOM 696 C TYR A 130 11.957 -4.122 -4.789 1.00 0.00 C ATOM 697 O TYR A 130 12.663 -5.092 -5.024 1.00 0.00 O ATOM 698 CB TYR A 130 11.998 -2.908 -2.621 1.00 0.00 C ATOM 699 CG TYR A 130 12.556 -1.762 -1.818 1.00 0.00 C ATOM 700 CD1 TYR A 130 13.862 -1.791 -1.366 1.00 0.00 C ATOM 701 CD2 TYR A 130 11.781 -0.652 -1.517 1.00 0.00 C ATOM 702 CE1 TYR A 130 14.383 -0.752 -0.633 1.00 0.00 C ATOM 703 CE2 TYR A 130 12.295 0.394 -0.784 1.00 0.00 C ATOM 704 CZ TYR A 130 13.598 0.338 -0.344 1.00 0.00 C ATOM 705 OH TYR A 130 14.120 1.376 0.397 1.00 0.00 O ATOM 0 H TYR A 130 11.222 -1.358 -4.531 1.00 0.00 H new ATOM 0 HA TYR A 130 13.588 -3.007 -4.032 1.00 0.00 H new ATOM 0 HB2 TYR A 130 10.910 -2.846 -2.624 1.00 0.00 H new ATOM 0 HB3 TYR A 130 12.262 -3.847 -2.135 1.00 0.00 H new ATOM 0 HD1 TYR A 130 14.483 -2.645 -1.593 1.00 0.00 H new ATOM 0 HD2 TYR A 130 10.759 -0.607 -1.863 1.00 0.00 H new ATOM 0 HE1 TYR A 130 15.405 -0.792 -0.286 1.00 0.00 H new ATOM 0 HE2 TYR A 130 11.680 1.252 -0.556 1.00 0.00 H new ATOM 0 HH TYR A 130 13.438 2.070 0.513 1.00 0.00 H new ATOM 715 N GLY A 131 10.706 -4.042 -5.161 1.00 0.00 N ATOM 716 CA GLY A 131 10.091 -5.134 -5.862 1.00 0.00 C ATOM 717 C GLY A 131 9.387 -6.071 -4.911 1.00 0.00 C ATOM 718 O GLY A 131 8.964 -7.164 -5.285 1.00 0.00 O ATOM 0 H GLY A 131 10.100 -3.240 -4.992 1.00 0.00 H new ATOM 0 HA2 GLY A 131 9.377 -4.746 -6.589 1.00 0.00 H new ATOM 0 HA3 GLY A 131 10.849 -5.682 -6.421 1.00 0.00 H new ATOM 722 N ASN A 132 9.273 -5.657 -3.680 1.00 0.00 N ATOM 723 CA ASN A 132 8.567 -6.439 -2.674 1.00 0.00 C ATOM 724 C ASN A 132 7.108 -6.188 -2.772 1.00 0.00 C ATOM 725 O ASN A 132 6.697 -5.114 -3.179 1.00 0.00 O ATOM 726 CB ASN A 132 9.000 -6.087 -1.269 1.00 0.00 C ATOM 727 CG ASN A 132 10.325 -6.651 -0.849 1.00 0.00 C ATOM 728 OD1 ASN A 132 11.228 -6.876 -1.651 1.00 0.00 O ATOM 729 ND2 ASN A 132 10.458 -6.842 0.419 1.00 0.00 N ATOM 0 H ASN A 132 9.659 -4.778 -3.336 1.00 0.00 H new ATOM 0 HA ASN A 132 8.804 -7.485 -2.867 1.00 0.00 H new ATOM 0 HB2 ASN A 132 9.040 -5.001 -1.180 1.00 0.00 H new ATOM 0 HB3 ASN A 132 8.237 -6.436 -0.573 1.00 0.00 H new ATOM 0 HD21 ASN A 132 11.340 -7.193 0.792 1.00 0.00 H new ATOM 0 HD22 ASN A 132 9.681 -6.642 1.049 1.00 0.00 H new ATOM 736 N ARG A 133 6.326 -7.146 -2.386 1.00 0.00 N ATOM 737 CA ARG A 133 4.902 -7.001 -2.425 1.00 0.00 C ATOM 738 C ARG A 133 4.266 -7.598 -1.183 1.00 0.00 C ATOM 739 O ARG A 133 4.665 -8.683 -0.728 1.00 0.00 O ATOM 740 CB ARG A 133 4.328 -7.576 -3.750 1.00 0.00 C ATOM 741 CG ARG A 133 4.544 -9.067 -4.011 1.00 0.00 C ATOM 742 CD ARG A 133 3.487 -9.937 -3.339 1.00 0.00 C ATOM 743 NE ARG A 133 3.665 -11.350 -3.650 1.00 0.00 N ATOM 744 CZ ARG A 133 3.049 -12.358 -3.025 1.00 0.00 C ATOM 745 NH1 ARG A 133 2.240 -12.126 -1.996 1.00 0.00 N ATOM 746 NH2 ARG A 133 3.253 -13.600 -3.423 1.00 0.00 N ATOM 0 H ARG A 133 6.652 -8.047 -2.036 1.00 0.00 H new ATOM 0 HA ARG A 133 4.649 -5.941 -2.417 1.00 0.00 H new ATOM 0 HB2 ARG A 133 3.256 -7.381 -3.767 1.00 0.00 H new ATOM 0 HB3 ARG A 133 4.767 -7.020 -4.579 1.00 0.00 H new ATOM 0 HG2 ARG A 133 4.531 -9.250 -5.085 1.00 0.00 H new ATOM 0 HG3 ARG A 133 5.531 -9.356 -3.650 1.00 0.00 H new ATOM 0 HD2 ARG A 133 3.533 -9.795 -2.259 1.00 0.00 H new ATOM 0 HD3 ARG A 133 2.496 -9.617 -3.661 1.00 0.00 H new ATOM 0 HE ARG A 133 4.310 -11.588 -4.403 1.00 0.00 H new ATOM 0 HH11 ARG A 133 2.084 -11.170 -1.675 1.00 0.00 H new ATOM 0 HH12 ARG A 133 1.775 -12.904 -1.527 1.00 0.00 H new ATOM 0 HH21 ARG A 133 3.879 -13.788 -4.206 1.00 0.00 H new ATOM 0 HH22 ARG A 133 2.784 -14.371 -2.948 1.00 0.00 H new ATOM 760 N GLU A 134 3.323 -6.893 -0.626 1.00 0.00 N ATOM 761 CA GLU A 134 2.615 -7.341 0.557 1.00 0.00 C ATOM 762 C GLU A 134 1.231 -6.702 0.548 1.00 0.00 C ATOM 763 O GLU A 134 1.011 -5.732 -0.187 1.00 0.00 O ATOM 764 CB GLU A 134 3.376 -7.051 1.869 1.00 0.00 C ATOM 765 CG GLU A 134 3.162 -5.692 2.423 1.00 0.00 C ATOM 766 CD GLU A 134 3.771 -5.502 3.788 1.00 0.00 C ATOM 767 OE1 GLU A 134 3.164 -5.944 4.774 1.00 0.00 O ATOM 768 OE2 GLU A 134 4.863 -4.912 3.912 1.00 0.00 O ATOM 0 H GLU A 134 3.016 -5.985 -0.976 1.00 0.00 H new ATOM 0 HA GLU A 134 2.528 -8.427 0.524 1.00 0.00 H new ATOM 0 HB2 GLU A 134 3.076 -7.785 2.617 1.00 0.00 H new ATOM 0 HB3 GLU A 134 4.442 -7.193 1.693 1.00 0.00 H new ATOM 0 HG2 GLU A 134 3.586 -4.957 1.738 1.00 0.00 H new ATOM 0 HG3 GLU A 134 2.091 -5.495 2.480 1.00 0.00 H new ATOM 775 N GLU A 135 0.298 -7.288 1.250 1.00 0.00 N ATOM 776 CA GLU A 135 -1.063 -6.820 1.242 1.00 0.00 C ATOM 777 C GLU A 135 -1.359 -5.883 2.425 1.00 0.00 C ATOM 778 O GLU A 135 -1.047 -6.188 3.586 1.00 0.00 O ATOM 779 CB GLU A 135 -2.010 -7.993 1.257 1.00 0.00 C ATOM 780 CG GLU A 135 -3.400 -7.629 0.785 1.00 0.00 C ATOM 781 CD GLU A 135 -4.360 -8.788 0.709 1.00 0.00 C ATOM 782 OE1 GLU A 135 -5.040 -9.084 1.713 1.00 0.00 O ATOM 783 OE2 GLU A 135 -4.494 -9.393 -0.357 1.00 0.00 O ATOM 0 H GLU A 135 0.459 -8.102 1.843 1.00 0.00 H new ATOM 0 HA GLU A 135 -1.209 -6.245 0.328 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -1.611 -8.784 0.622 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -2.068 -8.395 2.269 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -3.812 -6.876 1.457 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -3.326 -7.170 -0.201 1.00 0.00 H new ATOM 790 N GLN A 136 -1.992 -4.787 2.111 1.00 0.00 N ATOM 791 CA GLN A 136 -2.361 -3.730 3.050 1.00 0.00 C ATOM 792 C GLN A 136 -3.803 -3.347 2.852 1.00 0.00 C ATOM 793 O GLN A 136 -4.379 -3.668 1.834 1.00 0.00 O ATOM 794 CB GLN A 136 -1.482 -2.474 2.893 1.00 0.00 C ATOM 795 CG GLN A 136 -0.212 -2.501 3.718 1.00 0.00 C ATOM 796 CD GLN A 136 0.959 -3.096 3.005 1.00 0.00 C ATOM 797 OE1 GLN A 136 0.811 -3.882 2.111 1.00 0.00 O ATOM 798 NE2 GLN A 136 2.132 -2.780 3.465 1.00 0.00 N ATOM 0 H GLN A 136 -2.284 -4.584 1.155 1.00 0.00 H new ATOM 0 HA GLN A 136 -2.206 -4.126 4.053 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -1.217 -2.358 1.842 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -2.066 -1.597 3.173 1.00 0.00 H new ATOM 0 HG2 GLN A 136 0.037 -1.483 4.018 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -0.395 -3.067 4.631 1.00 0.00 H new ATOM 0 HE21 GLN A 136 2.217 -2.107 4.227 1.00 0.00 H new ATOM 0 HE22 GLN A 136 2.968 -3.205 3.064 1.00 0.00 H new ATOM 807 N ASN A 137 -4.389 -2.660 3.805 1.00 0.00 N ATOM 808 CA ASN A 137 -5.791 -2.246 3.669 1.00 0.00 C ATOM 809 C ASN A 137 -5.845 -1.010 2.819 1.00 0.00 C ATOM 810 O ASN A 137 -4.928 -0.200 2.862 1.00 0.00 O ATOM 811 CB ASN A 137 -6.470 -1.917 5.024 1.00 0.00 C ATOM 812 CG ASN A 137 -6.445 -3.034 6.032 1.00 0.00 C ATOM 813 OD1 ASN A 137 -7.366 -3.849 6.102 1.00 0.00 O ATOM 814 ND2 ASN A 137 -5.420 -3.060 6.843 1.00 0.00 N ATOM 0 H ASN A 137 -3.937 -2.374 4.674 1.00 0.00 H new ATOM 0 HA ASN A 137 -6.326 -3.085 3.224 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -5.980 -1.045 5.457 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -7.507 -1.639 4.836 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -5.362 -3.775 7.568 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -4.679 -2.366 6.750 1.00 0.00 H new ATOM 821 N LEU A 138 -6.913 -0.854 2.071 1.00 0.00 N ATOM 822 CA LEU A 138 -7.152 0.357 1.263 1.00 0.00 C ATOM 823 C LEU A 138 -7.188 1.569 2.187 1.00 0.00 C ATOM 824 O LEU A 138 -6.699 2.647 1.871 1.00 0.00 O ATOM 825 CB LEU A 138 -8.496 0.224 0.530 1.00 0.00 C ATOM 826 CG LEU A 138 -8.613 -0.957 -0.428 1.00 0.00 C ATOM 827 CD1 LEU A 138 -10.049 -1.135 -0.881 1.00 0.00 C ATOM 828 CD2 LEU A 138 -7.716 -0.747 -1.624 1.00 0.00 C ATOM 0 H LEU A 138 -7.651 -1.554 1.994 1.00 0.00 H new ATOM 0 HA LEU A 138 -6.355 0.479 0.530 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -9.288 0.144 1.274 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -8.676 1.142 -0.030 1.00 0.00 H new ATOM 0 HG LEU A 138 -8.300 -1.860 0.097 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -10.113 -1.982 -1.564 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -10.684 -1.319 -0.014 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -10.384 -0.232 -1.391 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.808 -1.596 -2.301 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -8.010 0.165 -2.144 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -6.682 -0.658 -1.292 1.00 0.00 H new ATOM 840 N SER A 139 -7.735 1.340 3.348 1.00 0.00 N ATOM 841 CA SER A 139 -7.865 2.291 4.368 1.00 0.00 C ATOM 842 C SER A 139 -6.516 2.554 5.094 1.00 0.00 C ATOM 843 O SER A 139 -6.329 3.570 5.765 1.00 0.00 O ATOM 844 CB SER A 139 -8.846 1.695 5.299 1.00 0.00 C ATOM 845 OG SER A 139 -10.070 1.399 4.639 1.00 0.00 O ATOM 0 H SER A 139 -8.117 0.429 3.602 1.00 0.00 H new ATOM 0 HA SER A 139 -8.180 3.259 3.977 1.00 0.00 H new ATOM 0 HB2 SER A 139 -8.433 0.783 5.731 1.00 0.00 H new ATOM 0 HB3 SER A 139 -9.032 2.383 6.124 1.00 0.00 H new ATOM 0 HG SER A 139 -10.494 0.626 5.067 1.00 0.00 H new ATOM 851 N ASP A 140 -5.591 1.643 4.933 1.00 0.00 N ATOM 852 CA ASP A 140 -4.262 1.727 5.570 1.00 0.00 C ATOM 853 C ASP A 140 -3.222 2.269 4.646 1.00 0.00 C ATOM 854 O ASP A 140 -2.088 2.476 5.051 1.00 0.00 O ATOM 855 CB ASP A 140 -3.798 0.383 6.089 1.00 0.00 C ATOM 856 CG ASP A 140 -4.054 0.194 7.560 1.00 0.00 C ATOM 857 OD1 ASP A 140 -5.170 -0.141 7.945 1.00 0.00 O ATOM 858 OD2 ASP A 140 -3.118 0.366 8.363 1.00 0.00 O ATOM 0 H ASP A 140 -5.720 0.811 4.358 1.00 0.00 H new ATOM 0 HA ASP A 140 -4.384 2.415 6.407 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -4.304 -0.407 5.534 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -2.731 0.275 5.896 1.00 0.00 H new ATOM 863 N LEU A 141 -3.578 2.445 3.407 1.00 0.00 N ATOM 864 CA LEU A 141 -2.680 3.045 2.440 1.00 0.00 C ATOM 865 C LEU A 141 -2.536 4.523 2.681 1.00 0.00 C ATOM 866 O LEU A 141 -3.512 5.226 3.014 1.00 0.00 O ATOM 867 CB LEU A 141 -3.144 2.819 1.013 1.00 0.00 C ATOM 868 CG LEU A 141 -3.221 1.387 0.528 1.00 0.00 C ATOM 869 CD1 LEU A 141 -3.576 1.372 -0.941 1.00 0.00 C ATOM 870 CD2 LEU A 141 -1.908 0.672 0.776 1.00 0.00 C ATOM 0 H LEU A 141 -4.489 2.182 3.032 1.00 0.00 H new ATOM 0 HA LEU A 141 -1.714 2.557 2.572 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -4.132 3.266 0.905 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.473 3.365 0.349 1.00 0.00 H new ATOM 0 HG LEU A 141 -3.997 0.859 1.083 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -3.632 0.341 -1.291 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -4.541 1.858 -1.087 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -2.812 1.906 -1.505 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -1.981 -0.356 0.421 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -1.108 1.184 0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -1.689 0.673 1.844 1.00 0.00 H new ATOM 882 N LEU A 142 -1.343 4.998 2.536 1.00 0.00 N ATOM 883 CA LEU A 142 -1.068 6.387 2.724 1.00 0.00 C ATOM 884 C LEU A 142 -0.727 7.022 1.403 1.00 0.00 C ATOM 885 O LEU A 142 -0.464 6.315 0.421 1.00 0.00 O ATOM 886 CB LEU A 142 0.048 6.629 3.760 1.00 0.00 C ATOM 887 CG LEU A 142 -0.227 6.125 5.187 1.00 0.00 C ATOM 888 CD1 LEU A 142 0.095 4.649 5.346 1.00 0.00 C ATOM 889 CD2 LEU A 142 0.490 6.972 6.220 1.00 0.00 C ATOM 0 H LEU A 142 -0.530 4.435 2.284 1.00 0.00 H new ATOM 0 HA LEU A 142 -1.968 6.854 3.125 1.00 0.00 H new ATOM 0 HB2 LEU A 142 0.960 6.153 3.399 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.245 7.700 3.807 1.00 0.00 H new ATOM 0 HG LEU A 142 -1.298 6.231 5.363 1.00 0.00 H new ATOM 0 HD11 LEU A 142 -0.115 4.339 6.370 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -0.518 4.067 4.658 1.00 0.00 H new ATOM 0 HD13 LEU A 142 1.149 4.481 5.125 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.275 6.589 7.218 1.00 0.00 H new ATOM 0 HD22 LEU A 142 1.564 6.933 6.040 1.00 0.00 H new ATOM 0 HD23 LEU A 142 0.147 8.004 6.146 1.00 0.00 H new ATOM 901 N SER A 143 -0.730 8.332 1.377 1.00 0.00 N ATOM 902 CA SER A 143 -0.456 9.095 0.185 1.00 0.00 C ATOM 903 C SER A 143 0.997 8.847 -0.249 1.00 0.00 C ATOM 904 O SER A 143 1.902 8.793 0.601 1.00 0.00 O ATOM 905 CB SER A 143 -0.709 10.593 0.462 1.00 0.00 C ATOM 906 OG SER A 143 -0.663 11.373 -0.728 1.00 0.00 O ATOM 0 H SER A 143 -0.926 8.907 2.197 1.00 0.00 H new ATOM 0 HA SER A 143 -1.117 8.783 -0.624 1.00 0.00 H new ATOM 0 HB2 SER A 143 -1.683 10.714 0.937 1.00 0.00 H new ATOM 0 HB3 SER A 143 0.037 10.962 1.166 1.00 0.00 H new ATOM 0 HG SER A 143 -0.830 12.314 -0.509 1.00 0.00 H new