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 -151:sc= 1.44 USER MOD Set 1.2: A 136 GLN : amide:sc= -4.09! C(o=-2.6!,f=-11!) USER MOD Single : A 93 LYS NZ :NH3+ 173:sc= 1.04 (180deg=0.692) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 CYS SG : rot -9:sc= 0.939 USER MOD Single : A 99 SER OG : rot 109:sc= 0.256 USER MOD Single : A 103 SER OG : rot 106:sc= 1.14 USER MOD Single : A 107 CYS SG : rot 89:sc= 1.23 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot -12:sc= 0.916 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 159:sc= 0.616 USER MOD Single : A 123 CYS SG : rot -12:sc= -4.79! USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD Single : A 130 TYR OH : rot -125:sc= 0.0126 USER MOD Single : A 132 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 137 ASN : amide:sc= -0.121 X(o=-0.12,f=-0.35) USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 143 SER OG : rot 180:sc= 0.0273 USER MOD ----------------------------------------------------------------- ATOM 115 N TRP A 92 -8.832 3.639 -3.975 1.00 0.00 N ATOM 116 CA TRP A 92 -7.675 3.310 -4.738 1.00 0.00 C ATOM 117 C TRP A 92 -8.050 2.443 -5.912 1.00 0.00 C ATOM 118 O TRP A 92 -9.111 1.805 -5.903 1.00 0.00 O ATOM 119 CB TRP A 92 -6.698 2.565 -3.846 1.00 0.00 C ATOM 120 CG TRP A 92 -6.248 3.344 -2.643 1.00 0.00 C ATOM 121 CD1 TRP A 92 -6.778 3.311 -1.384 1.00 0.00 C ATOM 122 CD2 TRP A 92 -5.168 4.264 -2.594 1.00 0.00 C ATOM 123 NE1 TRP A 92 -6.083 4.157 -0.560 1.00 0.00 N ATOM 124 CE2 TRP A 92 -5.089 4.752 -1.279 1.00 0.00 C ATOM 125 CE3 TRP A 92 -4.259 4.717 -3.535 1.00 0.00 C ATOM 126 CZ2 TRP A 92 -4.129 5.673 -0.889 1.00 0.00 C ATOM 127 CZ3 TRP A 92 -3.312 5.623 -3.153 1.00 0.00 C ATOM 128 CH2 TRP A 92 -3.250 6.093 -1.839 1.00 0.00 C ATOM 0 HA TRP A 92 -7.218 4.225 -5.115 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -7.163 1.637 -3.512 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -5.823 2.289 -4.435 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -7.621 2.707 -1.083 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -6.277 4.316 0.429 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -4.298 4.360 -4.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.081 6.041 0.125 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -2.598 5.983 -3.879 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -2.486 6.807 -1.571 1.00 0.00 H new ATOM 139 N LYS A 93 -7.224 2.443 -6.924 1.00 0.00 N ATOM 140 CA LYS A 93 -7.407 1.572 -8.063 1.00 0.00 C ATOM 141 C LYS A 93 -6.088 0.864 -8.311 1.00 0.00 C ATOM 142 O LYS A 93 -5.047 1.284 -7.776 1.00 0.00 O ATOM 143 CB LYS A 93 -7.841 2.367 -9.317 1.00 0.00 C ATOM 144 CG LYS A 93 -6.727 3.157 -10.002 1.00 0.00 C ATOM 145 CD LYS A 93 -7.262 4.139 -11.032 1.00 0.00 C ATOM 146 CE LYS A 93 -8.021 5.285 -10.367 1.00 0.00 C ATOM 147 NZ LYS A 93 -7.154 6.062 -9.452 1.00 0.00 N ATOM 0 H LYS A 93 -6.404 3.046 -6.986 1.00 0.00 H new ATOM 0 HA LYS A 93 -8.199 0.852 -7.857 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.269 1.671 -10.039 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -8.634 3.059 -9.033 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -6.155 3.700 -9.250 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.039 2.464 -10.487 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -6.435 4.540 -11.618 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -7.922 3.618 -11.726 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -8.425 5.946 -11.134 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -8.869 4.885 -9.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -7.670 6.899 -9.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -6.884 5.468 -8.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -6.298 6.365 -9.959 1.00 0.00 H new ATOM 161 N VAL A 94 -6.118 -0.213 -9.058 1.00 0.00 N ATOM 162 CA VAL A 94 -4.903 -0.918 -9.403 1.00 0.00 C ATOM 163 C VAL A 94 -4.029 0.002 -10.245 1.00 0.00 C ATOM 164 O VAL A 94 -4.492 0.574 -11.240 1.00 0.00 O ATOM 165 CB VAL A 94 -5.208 -2.226 -10.182 1.00 0.00 C ATOM 166 CG1 VAL A 94 -3.929 -2.914 -10.635 1.00 0.00 C ATOM 167 CG2 VAL A 94 -6.018 -3.164 -9.315 1.00 0.00 C ATOM 0 H VAL A 94 -6.971 -0.622 -9.440 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.384 -1.198 -8.486 1.00 0.00 H new ATOM 0 HB VAL A 94 -5.782 -1.963 -11.071 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.179 -3.826 -11.177 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.368 -2.246 -11.288 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.322 -3.164 -9.765 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.229 -4.080 -9.868 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.454 -3.405 -8.414 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.956 -2.684 -9.037 1.00 0.00 H new ATOM 177 N GLY A 95 -2.789 0.157 -9.842 1.00 0.00 N ATOM 178 CA GLY A 95 -1.901 1.033 -10.550 1.00 0.00 C ATOM 179 C GLY A 95 -1.812 2.404 -9.915 1.00 0.00 C ATOM 180 O GLY A 95 -1.332 3.350 -10.541 1.00 0.00 O ATOM 0 H GLY A 95 -2.380 -0.311 -9.033 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -0.907 0.587 -10.585 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -2.241 1.135 -11.581 1.00 0.00 H new ATOM 184 N ASP A 96 -2.275 2.529 -8.691 1.00 0.00 N ATOM 185 CA ASP A 96 -2.155 3.790 -7.970 1.00 0.00 C ATOM 186 C ASP A 96 -0.975 3.743 -7.059 1.00 0.00 C ATOM 187 O ASP A 96 -0.704 2.708 -6.442 1.00 0.00 O ATOM 188 CB ASP A 96 -3.405 4.168 -7.142 1.00 0.00 C ATOM 189 CG ASP A 96 -4.504 4.852 -7.914 1.00 0.00 C ATOM 190 OD1 ASP A 96 -4.207 5.631 -8.839 1.00 0.00 O ATOM 191 OD2 ASP A 96 -5.698 4.707 -7.545 1.00 0.00 O ATOM 0 H ASP A 96 -2.736 1.782 -8.171 1.00 0.00 H new ATOM 0 HA ASP A 96 -2.038 4.557 -8.736 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -3.810 3.262 -6.691 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -3.096 4.821 -6.325 1.00 0.00 H new ATOM 196 N LYS A 97 -0.227 4.808 -7.033 1.00 0.00 N ATOM 197 CA LYS A 97 0.855 4.944 -6.120 1.00 0.00 C ATOM 198 C LYS A 97 0.354 5.285 -4.771 1.00 0.00 C ATOM 199 O LYS A 97 -0.618 6.029 -4.626 1.00 0.00 O ATOM 200 CB LYS A 97 1.819 6.002 -6.557 1.00 0.00 C ATOM 201 CG LYS A 97 2.471 5.686 -7.842 1.00 0.00 C ATOM 202 CD LYS A 97 3.739 6.463 -7.977 1.00 0.00 C ATOM 203 CE LYS A 97 4.531 5.947 -9.126 1.00 0.00 C ATOM 204 NZ LYS A 97 5.830 6.627 -9.259 1.00 0.00 N ATOM 0 H LYS A 97 -0.357 5.608 -7.652 1.00 0.00 H new ATOM 0 HA LYS A 97 1.373 3.986 -6.095 1.00 0.00 H new ATOM 0 HB2 LYS A 97 1.293 6.952 -6.646 1.00 0.00 H new ATOM 0 HB3 LYS A 97 2.582 6.131 -5.790 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.682 4.618 -7.899 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.800 5.923 -8.668 1.00 0.00 H new ATOM 0 HD2 LYS A 97 3.514 7.519 -8.125 1.00 0.00 H new ATOM 0 HD3 LYS A 97 4.322 6.386 -7.059 1.00 0.00 H new ATOM 0 HE2 LYS A 97 4.695 4.877 -9.000 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.960 6.076 -10.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 6.346 6.234 -10.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 5.676 7.645 -9.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 6.388 6.483 -8.393 1.00 0.00 H new ATOM 218 N CYS A 98 1.020 4.779 -3.806 1.00 0.00 N ATOM 219 CA CYS A 98 0.676 4.988 -2.439 1.00 0.00 C ATOM 220 C CYS A 98 1.920 4.786 -1.593 1.00 0.00 C ATOM 221 O CYS A 98 3.048 4.807 -2.097 1.00 0.00 O ATOM 222 CB CYS A 98 -0.429 3.993 -2.032 1.00 0.00 C ATOM 223 SG CYS A 98 0.008 2.258 -2.255 1.00 0.00 S ATOM 0 H CYS A 98 1.843 4.191 -3.940 1.00 0.00 H new ATOM 0 HA CYS A 98 0.300 6.000 -2.288 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -0.682 4.159 -0.985 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -1.325 4.207 -2.614 1.00 0.00 H new ATOM 0 HG CYS A 98 1.128 2.173 -2.910 1.00 0.00 H new ATOM 229 N SER A 99 1.737 4.661 -0.341 1.00 0.00 N ATOM 230 CA SER A 99 2.773 4.316 0.552 1.00 0.00 C ATOM 231 C SER A 99 2.195 3.354 1.536 1.00 0.00 C ATOM 232 O SER A 99 0.986 3.416 1.839 1.00 0.00 O ATOM 233 CB SER A 99 3.324 5.522 1.251 1.00 0.00 C ATOM 234 OG SER A 99 3.706 6.520 0.307 1.00 0.00 O ATOM 0 H SER A 99 0.833 4.800 0.110 1.00 0.00 H new ATOM 0 HA SER A 99 3.605 3.869 0.008 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.576 5.927 1.933 1.00 0.00 H new ATOM 0 HB3 SER A 99 4.185 5.237 1.855 1.00 0.00 H new ATOM 0 HG SER A 99 3.080 7.272 0.355 1.00 0.00 H new ATOM 240 N ALA A 100 3.006 2.489 2.014 1.00 0.00 N ATOM 241 CA ALA A 100 2.570 1.434 2.859 1.00 0.00 C ATOM 242 C ALA A 100 3.569 1.211 3.966 1.00 0.00 C ATOM 243 O ALA A 100 4.713 1.691 3.882 1.00 0.00 O ATOM 244 CB ALA A 100 2.373 0.187 2.028 1.00 0.00 C ATOM 0 H ALA A 100 4.009 2.490 1.829 1.00 0.00 H new ATOM 0 HA ALA A 100 1.619 1.695 3.324 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.038 -0.628 2.669 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.623 0.376 1.260 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.316 -0.087 1.555 1.00 0.00 H new ATOM 250 N ILE A 101 3.133 0.552 5.004 1.00 0.00 N ATOM 251 CA ILE A 101 3.979 0.240 6.138 1.00 0.00 C ATOM 252 C ILE A 101 4.598 -1.115 5.902 1.00 0.00 C ATOM 253 O ILE A 101 3.880 -2.107 5.746 1.00 0.00 O ATOM 254 CB ILE A 101 3.176 0.203 7.492 1.00 0.00 C ATOM 255 CG1 ILE A 101 2.798 1.607 7.963 1.00 0.00 C ATOM 256 CG2 ILE A 101 3.970 -0.513 8.596 1.00 0.00 C ATOM 257 CD1 ILE A 101 3.979 2.401 8.501 1.00 0.00 C ATOM 0 H ILE A 101 2.176 0.211 5.094 1.00 0.00 H new ATOM 0 HA ILE A 101 4.734 1.021 6.226 1.00 0.00 H new ATOM 0 HB ILE A 101 2.261 -0.356 7.296 1.00 0.00 H new ATOM 0 HG12 ILE A 101 2.351 2.153 7.132 1.00 0.00 H new ATOM 0 HG13 ILE A 101 2.037 1.529 8.740 1.00 0.00 H new ATOM 0 HG21 ILE A 101 3.387 -0.521 9.517 1.00 0.00 H new ATOM 0 HG22 ILE A 101 4.177 -1.538 8.289 1.00 0.00 H new ATOM 0 HG23 ILE A 101 4.910 0.011 8.766 1.00 0.00 H new ATOM 0 HD11 ILE A 101 3.640 3.387 8.818 1.00 0.00 H new ATOM 0 HD12 ILE A 101 4.413 1.876 9.352 1.00 0.00 H new ATOM 0 HD13 ILE A 101 4.731 2.509 7.719 1.00 0.00 H new ATOM 269 N TRP A 102 5.900 -1.157 5.859 1.00 0.00 N ATOM 270 CA TRP A 102 6.605 -2.384 5.646 1.00 0.00 C ATOM 271 C TRP A 102 6.463 -3.268 6.857 1.00 0.00 C ATOM 272 O TRP A 102 6.794 -2.859 7.939 1.00 0.00 O ATOM 273 CB TRP A 102 8.074 -2.106 5.398 1.00 0.00 C ATOM 274 CG TRP A 102 8.822 -3.280 4.864 1.00 0.00 C ATOM 275 CD1 TRP A 102 8.312 -4.301 4.128 1.00 0.00 C ATOM 276 CD2 TRP A 102 10.212 -3.527 4.978 1.00 0.00 C ATOM 277 NE1 TRP A 102 9.287 -5.177 3.792 1.00 0.00 N ATOM 278 CE2 TRP A 102 10.474 -4.724 4.286 1.00 0.00 C ATOM 279 CE3 TRP A 102 11.265 -2.861 5.594 1.00 0.00 C ATOM 280 CZ2 TRP A 102 11.743 -5.261 4.192 1.00 0.00 C ATOM 281 CZ3 TRP A 102 12.523 -3.398 5.501 1.00 0.00 C ATOM 282 CH2 TRP A 102 12.753 -4.585 4.806 1.00 0.00 C ATOM 0 H TRP A 102 6.500 -0.340 5.971 1.00 0.00 H new ATOM 0 HA TRP A 102 6.183 -2.885 4.775 1.00 0.00 H new ATOM 0 HB2 TRP A 102 8.165 -1.278 4.695 1.00 0.00 H new ATOM 0 HB3 TRP A 102 8.537 -1.785 6.331 1.00 0.00 H new ATOM 0 HD1 TRP A 102 7.273 -4.400 3.850 1.00 0.00 H new ATOM 0 HE1 TRP A 102 9.155 -6.035 3.257 1.00 0.00 H new ATOM 0 HE3 TRP A 102 11.096 -1.941 6.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 11.927 -6.179 3.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 13.351 -2.892 5.975 1.00 0.00 H new ATOM 0 HH2 TRP A 102 13.758 -4.978 4.753 1.00 0.00 H new ATOM 293 N SER A 103 6.011 -4.473 6.663 1.00 0.00 N ATOM 294 CA SER A 103 5.849 -5.434 7.746 1.00 0.00 C ATOM 295 C SER A 103 7.145 -5.735 8.487 1.00 0.00 C ATOM 296 O SER A 103 7.135 -6.101 9.661 1.00 0.00 O ATOM 297 CB SER A 103 5.287 -6.709 7.188 1.00 0.00 C ATOM 298 OG SER A 103 3.886 -6.639 7.065 1.00 0.00 O ATOM 0 H SER A 103 5.739 -4.831 5.747 1.00 0.00 H new ATOM 0 HA SER A 103 5.170 -4.986 8.472 1.00 0.00 H new ATOM 0 HB2 SER A 103 5.730 -6.908 6.212 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.556 -7.542 7.837 1.00 0.00 H new ATOM 0 HG SER A 103 3.645 -6.540 6.120 1.00 0.00 H new ATOM 304 N GLU A 104 8.241 -5.550 7.823 1.00 0.00 N ATOM 305 CA GLU A 104 9.505 -5.912 8.383 1.00 0.00 C ATOM 306 C GLU A 104 10.086 -4.841 9.262 1.00 0.00 C ATOM 307 O GLU A 104 10.691 -5.148 10.284 1.00 0.00 O ATOM 308 CB GLU A 104 10.463 -6.274 7.301 1.00 0.00 C ATOM 309 CG GLU A 104 9.987 -7.428 6.481 1.00 0.00 C ATOM 310 CD GLU A 104 9.964 -8.712 7.262 1.00 0.00 C ATOM 311 OE1 GLU A 104 11.025 -9.348 7.408 1.00 0.00 O ATOM 312 OE2 GLU A 104 8.896 -9.120 7.737 1.00 0.00 O ATOM 0 H GLU A 104 8.287 -5.148 6.887 1.00 0.00 H new ATOM 0 HA GLU A 104 9.331 -6.778 9.021 1.00 0.00 H new ATOM 0 HB2 GLU A 104 10.618 -5.411 6.653 1.00 0.00 H new ATOM 0 HB3 GLU A 104 11.429 -6.519 7.742 1.00 0.00 H new ATOM 0 HG2 GLU A 104 8.986 -7.216 6.106 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.635 -7.545 5.612 1.00 0.00 H new ATOM 319 N ASP A 105 9.918 -3.592 8.890 1.00 0.00 N ATOM 320 CA ASP A 105 10.535 -2.542 9.695 1.00 0.00 C ATOM 321 C ASP A 105 9.489 -1.635 10.293 1.00 0.00 C ATOM 322 O ASP A 105 9.724 -0.946 11.277 1.00 0.00 O ATOM 323 CB ASP A 105 11.496 -1.729 8.846 1.00 0.00 C ATOM 324 CG ASP A 105 12.386 -0.850 9.680 1.00 0.00 C ATOM 325 OD1 ASP A 105 13.339 -1.371 10.296 1.00 0.00 O ATOM 326 OD2 ASP A 105 12.152 0.358 9.749 1.00 0.00 O ATOM 0 H ASP A 105 9.388 -3.279 8.077 1.00 0.00 H new ATOM 0 HA ASP A 105 11.085 -3.017 10.507 1.00 0.00 H new ATOM 0 HB2 ASP A 105 12.110 -2.403 8.249 1.00 0.00 H new ATOM 0 HB3 ASP A 105 10.929 -1.112 8.149 1.00 0.00 H new ATOM 331 N GLY A 106 8.312 -1.681 9.731 1.00 0.00 N ATOM 332 CA GLY A 106 7.227 -0.855 10.230 1.00 0.00 C ATOM 333 C GLY A 106 7.257 0.563 9.689 1.00 0.00 C ATOM 334 O GLY A 106 6.510 1.425 10.147 1.00 0.00 O ATOM 0 H GLY A 106 8.073 -2.272 8.935 1.00 0.00 H new ATOM 0 HA2 GLY A 106 6.276 -1.318 9.966 1.00 0.00 H new ATOM 0 HA3 GLY A 106 7.275 -0.823 11.318 1.00 0.00 H new ATOM 338 N CYS A 107 8.131 0.819 8.750 1.00 0.00 N ATOM 339 CA CYS A 107 8.246 2.142 8.185 1.00 0.00 C ATOM 340 C CYS A 107 7.400 2.347 6.930 1.00 0.00 C ATOM 341 O CYS A 107 6.990 1.379 6.279 1.00 0.00 O ATOM 342 CB CYS A 107 9.695 2.503 7.956 1.00 0.00 C ATOM 343 SG CYS A 107 10.623 2.798 9.469 1.00 0.00 S ATOM 0 H CYS A 107 8.774 0.130 8.359 1.00 0.00 H new ATOM 0 HA CYS A 107 7.833 2.831 8.922 1.00 0.00 H new ATOM 0 HB2 CYS A 107 10.175 1.699 7.398 1.00 0.00 H new ATOM 0 HB3 CYS A 107 9.742 3.396 7.333 1.00 0.00 H new ATOM 0 HG CYS A 107 11.133 1.679 9.891 1.00 0.00 H new ATOM 349 N ILE A 108 7.145 3.612 6.615 1.00 0.00 N ATOM 350 CA ILE A 108 6.409 4.020 5.424 1.00 0.00 C ATOM 351 C ILE A 108 7.343 4.003 4.239 1.00 0.00 C ATOM 352 O ILE A 108 8.405 4.637 4.254 1.00 0.00 O ATOM 353 CB ILE A 108 5.876 5.475 5.537 1.00 0.00 C ATOM 354 CG1 ILE A 108 4.982 5.665 6.744 1.00 0.00 C ATOM 355 CG2 ILE A 108 5.097 5.828 4.282 1.00 0.00 C ATOM 356 CD1 ILE A 108 3.620 5.034 6.615 1.00 0.00 C ATOM 0 H ILE A 108 7.450 4.397 7.191 1.00 0.00 H new ATOM 0 HA ILE A 108 5.573 3.329 5.313 1.00 0.00 H new ATOM 0 HB ILE A 108 6.739 6.131 5.653 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.481 5.249 7.619 1.00 0.00 H new ATOM 0 HG13 ILE A 108 4.859 6.733 6.925 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.723 6.849 4.361 1.00 0.00 H new ATOM 0 HG22 ILE A 108 5.750 5.747 3.413 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.258 5.142 4.170 1.00 0.00 H new ATOM 0 HD11 ILE A 108 3.046 5.218 7.523 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.098 5.467 5.762 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.729 3.960 6.467 1.00 0.00 H new ATOM 368 N TYR A 109 6.958 3.313 3.231 1.00 0.00 N ATOM 369 CA TYR A 109 7.716 3.248 2.009 1.00 0.00 C ATOM 370 C TYR A 109 6.806 3.418 0.814 1.00 0.00 C ATOM 371 O TYR A 109 5.615 3.064 0.881 1.00 0.00 O ATOM 372 CB TYR A 109 8.475 1.936 1.899 1.00 0.00 C ATOM 373 CG TYR A 109 9.625 1.787 2.862 1.00 0.00 C ATOM 374 CD1 TYR A 109 10.866 2.322 2.566 1.00 0.00 C ATOM 375 CD2 TYR A 109 9.477 1.079 4.040 1.00 0.00 C ATOM 376 CE1 TYR A 109 11.928 2.161 3.424 1.00 0.00 C ATOM 377 CE2 TYR A 109 10.529 0.900 4.900 1.00 0.00 C ATOM 378 CZ TYR A 109 11.760 1.446 4.589 1.00 0.00 C ATOM 379 OH TYR A 109 12.828 1.266 5.441 1.00 0.00 O ATOM 0 H TYR A 109 6.098 2.765 3.217 1.00 0.00 H new ATOM 0 HA TYR A 109 8.441 4.062 2.025 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.777 1.114 2.059 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.856 1.837 0.882 1.00 0.00 H new ATOM 0 HD1 TYR A 109 11.002 2.874 1.648 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.513 0.659 4.288 1.00 0.00 H new ATOM 0 HE1 TYR A 109 12.889 2.593 3.186 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.397 0.337 5.812 1.00 0.00 H new ATOM 0 HH TYR A 109 12.542 0.741 6.217 1.00 0.00 H new ATOM 389 N PRO A 110 7.329 3.994 -0.281 1.00 0.00 N ATOM 390 CA PRO A 110 6.572 4.186 -1.515 1.00 0.00 C ATOM 391 C PRO A 110 6.247 2.845 -2.169 1.00 0.00 C ATOM 392 O PRO A 110 7.129 2.002 -2.379 1.00 0.00 O ATOM 393 CB PRO A 110 7.529 4.994 -2.402 1.00 0.00 C ATOM 394 CG PRO A 110 8.880 4.672 -1.883 1.00 0.00 C ATOM 395 CD PRO A 110 8.713 4.501 -0.407 1.00 0.00 C ATOM 0 HA PRO A 110 5.616 4.683 -1.349 1.00 0.00 H new ATOM 0 HB2 PRO A 110 7.430 4.714 -3.451 1.00 0.00 H new ATOM 0 HB3 PRO A 110 7.323 6.062 -2.337 1.00 0.00 H new ATOM 0 HG2 PRO A 110 9.270 3.763 -2.341 1.00 0.00 H new ATOM 0 HG3 PRO A 110 9.587 5.471 -2.108 1.00 0.00 H new ATOM 0 HD2 PRO A 110 9.438 3.798 0.002 1.00 0.00 H new ATOM 0 HD3 PRO A 110 8.847 5.443 0.125 1.00 0.00 H new ATOM 403 N ALA A 111 5.006 2.642 -2.472 1.00 0.00 N ATOM 404 CA ALA A 111 4.572 1.421 -3.055 1.00 0.00 C ATOM 405 C ALA A 111 3.452 1.684 -4.008 1.00 0.00 C ATOM 406 O ALA A 111 2.688 2.613 -3.828 1.00 0.00 O ATOM 407 CB ALA A 111 4.118 0.453 -1.986 1.00 0.00 C ATOM 0 H ALA A 111 4.263 3.324 -2.320 1.00 0.00 H new ATOM 0 HA ALA A 111 5.409 0.977 -3.594 1.00 0.00 H new ATOM 0 HB1 ALA A 111 3.789 -0.476 -2.452 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.946 0.246 -1.308 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.291 0.890 -1.426 1.00 0.00 H new ATOM 413 N THR A 112 3.345 0.897 -5.008 1.00 0.00 N ATOM 414 CA THR A 112 2.277 1.060 -5.938 1.00 0.00 C ATOM 415 C THR A 112 1.369 -0.157 -5.832 1.00 0.00 C ATOM 416 O THR A 112 1.832 -1.255 -5.543 1.00 0.00 O ATOM 417 CB THR A 112 2.845 1.214 -7.358 1.00 0.00 C ATOM 418 OG1 THR A 112 3.925 2.169 -7.317 1.00 0.00 O ATOM 419 CG2 THR A 112 1.787 1.742 -8.308 1.00 0.00 C ATOM 0 H THR A 112 3.983 0.127 -5.212 1.00 0.00 H new ATOM 0 HA THR A 112 1.701 1.958 -5.715 1.00 0.00 H new ATOM 0 HB THR A 112 3.186 0.239 -7.707 1.00 0.00 H new ATOM 0 HG1 THR A 112 4.300 2.278 -8.216 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.212 1.843 -9.307 1.00 0.00 H new ATOM 0 HG22 THR A 112 0.947 1.048 -8.340 1.00 0.00 H new ATOM 0 HG23 THR A 112 1.440 2.716 -7.962 1.00 0.00 H new ATOM 427 N ILE A 113 0.108 0.042 -6.053 1.00 0.00 N ATOM 428 CA ILE A 113 -0.868 -1.006 -5.921 1.00 0.00 C ATOM 429 C ILE A 113 -0.818 -1.934 -7.114 1.00 0.00 C ATOM 430 O ILE A 113 -0.899 -1.489 -8.265 1.00 0.00 O ATOM 431 CB ILE A 113 -2.272 -0.406 -5.778 1.00 0.00 C ATOM 432 CG1 ILE A 113 -2.298 0.523 -4.568 1.00 0.00 C ATOM 433 CG2 ILE A 113 -3.310 -1.509 -5.631 1.00 0.00 C ATOM 434 CD1 ILE A 113 -3.540 1.343 -4.459 1.00 0.00 C ATOM 0 H ILE A 113 -0.282 0.942 -6.333 1.00 0.00 H new ATOM 0 HA ILE A 113 -0.636 -1.582 -5.025 1.00 0.00 H new ATOM 0 HB ILE A 113 -2.515 0.165 -6.674 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -2.188 -0.074 -3.662 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -1.437 1.190 -4.617 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -4.301 -1.065 -5.531 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -3.287 -2.150 -6.512 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -3.087 -2.103 -4.745 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -3.481 1.976 -3.574 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -3.642 1.968 -5.346 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -4.405 0.684 -4.377 1.00 0.00 H new ATOM 446 N ALA A 114 -0.672 -3.202 -6.838 1.00 0.00 N ATOM 447 CA ALA A 114 -0.601 -4.211 -7.864 1.00 0.00 C ATOM 448 C ALA A 114 -1.948 -4.881 -8.055 1.00 0.00 C ATOM 449 O ALA A 114 -2.287 -5.291 -9.163 1.00 0.00 O ATOM 450 CB ALA A 114 0.448 -5.244 -7.512 1.00 0.00 C ATOM 0 H ALA A 114 -0.598 -3.568 -5.889 1.00 0.00 H new ATOM 0 HA ALA A 114 -0.322 -3.727 -8.800 1.00 0.00 H new ATOM 0 HB1 ALA A 114 0.491 -6.000 -8.296 1.00 0.00 H new ATOM 0 HB2 ALA A 114 1.420 -4.759 -7.422 1.00 0.00 H new ATOM 0 HB3 ALA A 114 0.189 -5.717 -6.565 1.00 0.00 H new ATOM 456 N SER A 115 -2.710 -5.011 -6.979 1.00 0.00 N ATOM 457 CA SER A 115 -4.041 -5.637 -7.033 1.00 0.00 C ATOM 458 C SER A 115 -4.831 -5.233 -5.801 1.00 0.00 C ATOM 459 O SER A 115 -4.237 -4.978 -4.766 1.00 0.00 O ATOM 460 CB SER A 115 -3.931 -7.179 -7.082 1.00 0.00 C ATOM 461 OG SER A 115 -3.213 -7.618 -8.232 1.00 0.00 O ATOM 0 H SER A 115 -2.436 -4.693 -6.050 1.00 0.00 H new ATOM 0 HA SER A 115 -4.545 -5.298 -7.938 1.00 0.00 H new ATOM 0 HB2 SER A 115 -3.431 -7.537 -6.182 1.00 0.00 H new ATOM 0 HB3 SER A 115 -4.930 -7.615 -7.088 1.00 0.00 H new ATOM 0 HG SER A 115 -3.101 -6.869 -8.854 1.00 0.00 H new ATOM 467 N ILE A 116 -6.139 -5.148 -5.926 1.00 0.00 N ATOM 468 CA ILE A 116 -7.022 -4.797 -4.840 1.00 0.00 C ATOM 469 C ILE A 116 -8.138 -5.820 -4.728 1.00 0.00 C ATOM 470 O ILE A 116 -8.630 -6.330 -5.742 1.00 0.00 O ATOM 471 CB ILE A 116 -7.682 -3.421 -5.093 1.00 0.00 C ATOM 472 CG1 ILE A 116 -6.641 -2.331 -5.223 1.00 0.00 C ATOM 473 CG2 ILE A 116 -8.685 -3.084 -3.995 1.00 0.00 C ATOM 474 CD1 ILE A 116 -7.208 -1.028 -5.651 1.00 0.00 C ATOM 0 H ILE A 116 -6.625 -5.325 -6.805 1.00 0.00 H new ATOM 0 HA ILE A 116 -6.426 -4.767 -3.928 1.00 0.00 H new ATOM 0 HB ILE A 116 -8.223 -3.483 -6.037 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -6.137 -2.203 -4.265 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -5.884 -2.644 -5.942 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -9.134 -2.112 -4.198 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -9.465 -3.845 -3.968 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -8.174 -3.054 -3.032 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -6.409 -0.290 -5.725 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -7.688 -1.142 -6.623 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -7.944 -0.694 -4.920 1.00 0.00 H new ATOM 486 N ASP A 117 -8.483 -6.161 -3.528 1.00 0.00 N ATOM 487 CA ASP A 117 -9.648 -6.962 -3.261 1.00 0.00 C ATOM 488 C ASP A 117 -10.604 -6.065 -2.529 1.00 0.00 C ATOM 489 O ASP A 117 -10.447 -5.828 -1.329 1.00 0.00 O ATOM 490 CB ASP A 117 -9.346 -8.197 -2.421 1.00 0.00 C ATOM 491 CG ASP A 117 -10.519 -9.154 -2.390 1.00 0.00 C ATOM 492 OD1 ASP A 117 -11.429 -8.990 -1.566 1.00 0.00 O ATOM 493 OD2 ASP A 117 -10.542 -10.098 -3.205 1.00 0.00 O ATOM 0 H ASP A 117 -7.963 -5.892 -2.693 1.00 0.00 H new ATOM 0 HA ASP A 117 -10.056 -7.340 -4.199 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -8.471 -8.707 -2.825 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -9.097 -7.893 -1.404 1.00 0.00 H new ATOM 498 N PHE A 118 -11.552 -5.521 -3.243 1.00 0.00 N ATOM 499 CA PHE A 118 -12.485 -4.546 -2.693 1.00 0.00 C ATOM 500 C PHE A 118 -13.366 -5.164 -1.619 1.00 0.00 C ATOM 501 O PHE A 118 -13.886 -4.461 -0.748 1.00 0.00 O ATOM 502 CB PHE A 118 -13.343 -3.930 -3.798 1.00 0.00 C ATOM 503 CG PHE A 118 -12.558 -3.215 -4.879 1.00 0.00 C ATOM 504 CD1 PHE A 118 -12.020 -1.952 -4.656 1.00 0.00 C ATOM 505 CD2 PHE A 118 -12.359 -3.806 -6.115 1.00 0.00 C ATOM 506 CE1 PHE A 118 -11.309 -1.300 -5.648 1.00 0.00 C ATOM 507 CE2 PHE A 118 -11.649 -3.158 -7.108 1.00 0.00 C ATOM 508 CZ PHE A 118 -11.124 -1.904 -6.874 1.00 0.00 C ATOM 0 H PHE A 118 -11.709 -5.735 -4.228 1.00 0.00 H new ATOM 0 HA PHE A 118 -11.896 -3.755 -2.229 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -13.938 -4.718 -4.260 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -14.042 -3.225 -3.348 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -12.159 -1.475 -3.697 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -12.765 -4.788 -6.306 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -10.899 -0.318 -5.462 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -11.505 -3.633 -8.067 1.00 0.00 H new ATOM 0 HZ PHE A 118 -10.569 -1.396 -7.649 1.00 0.00 H new ATOM 518 N LYS A 119 -13.522 -6.475 -1.684 1.00 0.00 N ATOM 519 CA LYS A 119 -14.324 -7.212 -0.735 1.00 0.00 C ATOM 520 C LYS A 119 -13.620 -7.316 0.614 1.00 0.00 C ATOM 521 O LYS A 119 -14.250 -7.191 1.664 1.00 0.00 O ATOM 522 CB LYS A 119 -14.626 -8.595 -1.284 1.00 0.00 C ATOM 523 CG LYS A 119 -15.495 -8.599 -2.520 1.00 0.00 C ATOM 524 CD LYS A 119 -16.893 -8.127 -2.195 1.00 0.00 C ATOM 525 CE LYS A 119 -17.827 -8.269 -3.378 1.00 0.00 C ATOM 526 NZ LYS A 119 -19.217 -7.954 -3.009 1.00 0.00 N ATOM 0 H LYS A 119 -13.092 -7.057 -2.402 1.00 0.00 H new ATOM 0 HA LYS A 119 -15.260 -6.675 -0.582 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -13.685 -9.095 -1.514 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -15.117 -9.182 -0.508 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -15.056 -7.953 -3.281 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -15.534 -9.604 -2.939 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -17.283 -8.700 -1.354 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -16.860 -7.083 -1.882 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -17.503 -7.606 -4.180 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -17.774 -9.287 -3.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -19.830 -8.061 -3.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -19.533 -8.603 -2.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -19.271 -6.975 -2.663 1.00 0.00 H new ATOM 540 N ARG A 120 -12.320 -7.542 0.588 1.00 0.00 N ATOM 541 CA ARG A 120 -11.534 -7.607 1.826 1.00 0.00 C ATOM 542 C ARG A 120 -11.050 -6.238 2.232 1.00 0.00 C ATOM 543 O ARG A 120 -10.529 -6.062 3.338 1.00 0.00 O ATOM 544 CB ARG A 120 -10.312 -8.504 1.655 1.00 0.00 C ATOM 545 CG ARG A 120 -10.608 -9.974 1.558 1.00 0.00 C ATOM 546 CD ARG A 120 -9.324 -10.770 1.392 1.00 0.00 C ATOM 547 NE ARG A 120 -8.907 -10.906 -0.020 1.00 0.00 N ATOM 548 CZ ARG A 120 -7.635 -10.871 -0.451 1.00 0.00 C ATOM 549 NH1 ARG A 120 -6.659 -10.700 0.414 1.00 0.00 N ATOM 550 NH2 ARG A 120 -7.354 -11.030 -1.747 1.00 0.00 N ATOM 0 H ARG A 120 -11.780 -7.684 -0.266 1.00 0.00 H new ATOM 0 HA ARG A 120 -12.191 -8.015 2.594 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -9.778 -8.197 0.756 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -9.639 -8.340 2.497 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -11.133 -10.304 2.454 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -11.270 -10.162 0.713 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -8.527 -10.285 1.955 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -9.460 -11.762 1.822 1.00 0.00 H new ATOM 0 HE ARG A 120 -9.639 -11.036 -0.718 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -6.870 -10.595 1.406 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -5.691 -10.673 0.092 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -8.108 -11.179 -2.418 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -6.386 -11.002 -2.066 1.00 0.00 H new ATOM 564 N GLU A 121 -11.255 -5.272 1.346 1.00 0.00 N ATOM 565 CA GLU A 121 -10.782 -3.899 1.514 1.00 0.00 C ATOM 566 C GLU A 121 -9.232 -3.911 1.600 1.00 0.00 C ATOM 567 O GLU A 121 -8.612 -3.027 2.189 1.00 0.00 O ATOM 568 CB GLU A 121 -11.428 -3.250 2.773 1.00 0.00 C ATOM 569 CG GLU A 121 -11.207 -1.739 2.924 1.00 0.00 C ATOM 570 CD GLU A 121 -11.772 -1.180 4.214 1.00 0.00 C ATOM 571 OE1 GLU A 121 -13.013 -1.003 4.313 1.00 0.00 O ATOM 572 OE2 GLU A 121 -10.993 -0.879 5.142 1.00 0.00 O ATOM 0 H GLU A 121 -11.763 -5.421 0.474 1.00 0.00 H new ATOM 0 HA GLU A 121 -11.079 -3.293 0.658 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -12.501 -3.442 2.750 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -11.034 -3.748 3.659 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -10.138 -1.528 2.881 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -11.667 -1.225 2.080 1.00 0.00 H new ATOM 579 N THR A 122 -8.613 -4.890 0.972 1.00 0.00 N ATOM 580 CA THR A 122 -7.183 -5.000 1.023 1.00 0.00 C ATOM 581 C THR A 122 -6.597 -4.969 -0.374 1.00 0.00 C ATOM 582 O THR A 122 -7.293 -5.207 -1.353 1.00 0.00 O ATOM 583 CB THR A 122 -6.711 -6.281 1.754 1.00 0.00 C ATOM 584 OG1 THR A 122 -7.136 -7.460 1.058 1.00 0.00 O ATOM 585 CG2 THR A 122 -7.233 -6.349 3.167 1.00 0.00 C ATOM 0 H THR A 122 -9.081 -5.613 0.425 1.00 0.00 H new ATOM 0 HA THR A 122 -6.825 -4.143 1.593 1.00 0.00 H new ATOM 0 HB THR A 122 -5.622 -6.235 1.778 1.00 0.00 H new ATOM 0 HG1 THR A 122 -6.571 -8.217 1.321 1.00 0.00 H new ATOM 0 HG21 THR A 122 -6.878 -7.263 3.643 1.00 0.00 H new ATOM 0 HG22 THR A 122 -6.876 -5.486 3.729 1.00 0.00 H new ATOM 0 HG23 THR A 122 -8.323 -6.347 3.153 1.00 0.00 H new ATOM 593 N CYS A 123 -5.352 -4.653 -0.467 1.00 0.00 N ATOM 594 CA CYS A 123 -4.670 -4.592 -1.717 1.00 0.00 C ATOM 595 C CYS A 123 -3.224 -4.968 -1.551 1.00 0.00 C ATOM 596 O CYS A 123 -2.660 -4.787 -0.492 1.00 0.00 O ATOM 597 CB CYS A 123 -4.796 -3.200 -2.271 1.00 0.00 C ATOM 598 SG CYS A 123 -4.366 -1.936 -1.073 1.00 0.00 S ATOM 0 H CYS A 123 -4.767 -4.425 0.337 1.00 0.00 H new ATOM 0 HA CYS A 123 -5.118 -5.302 -2.412 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.151 -3.101 -3.144 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -5.819 -3.040 -2.611 1.00 0.00 H new ATOM 0 HG CYS A 123 -4.273 -2.471 0.108 1.00 0.00 H new ATOM 604 N VAL A 124 -2.641 -5.483 -2.585 1.00 0.00 N ATOM 605 CA VAL A 124 -1.255 -5.841 -2.570 1.00 0.00 C ATOM 606 C VAL A 124 -0.489 -4.693 -3.165 1.00 0.00 C ATOM 607 O VAL A 124 -0.846 -4.192 -4.255 1.00 0.00 O ATOM 608 CB VAL A 124 -0.975 -7.138 -3.383 1.00 0.00 C ATOM 609 CG1 VAL A 124 0.501 -7.526 -3.320 1.00 0.00 C ATOM 610 CG2 VAL A 124 -1.840 -8.279 -2.880 1.00 0.00 C ATOM 0 H VAL A 124 -3.113 -5.669 -3.470 1.00 0.00 H new ATOM 0 HA VAL A 124 -0.947 -6.040 -1.544 1.00 0.00 H new ATOM 0 HB VAL A 124 -1.227 -6.937 -4.424 1.00 0.00 H new ATOM 0 HG11 VAL A 124 0.663 -8.436 -3.898 1.00 0.00 H new ATOM 0 HG12 VAL A 124 1.107 -6.720 -3.734 1.00 0.00 H new ATOM 0 HG13 VAL A 124 0.788 -7.699 -2.283 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -1.630 -9.178 -3.460 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -1.620 -8.466 -1.829 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -2.892 -8.014 -2.989 1.00 0.00 H new ATOM 620 N VAL A 125 0.536 -4.272 -2.488 1.00 0.00 N ATOM 621 CA VAL A 125 1.317 -3.167 -2.931 1.00 0.00 C ATOM 622 C VAL A 125 2.727 -3.630 -3.188 1.00 0.00 C ATOM 623 O VAL A 125 3.225 -4.554 -2.533 1.00 0.00 O ATOM 624 CB VAL A 125 1.344 -2.028 -1.856 1.00 0.00 C ATOM 625 CG1 VAL A 125 -0.057 -1.509 -1.567 1.00 0.00 C ATOM 626 CG2 VAL A 125 2.025 -2.489 -0.559 1.00 0.00 C ATOM 0 H VAL A 125 0.852 -4.688 -1.612 1.00 0.00 H new ATOM 0 HA VAL A 125 0.870 -2.774 -3.844 1.00 0.00 H new ATOM 0 HB VAL A 125 1.933 -1.210 -2.271 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -0.005 -0.720 -0.817 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -0.494 -1.111 -2.483 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -0.677 -2.324 -1.193 1.00 0.00 H new ATOM 0 HG21 VAL A 125 2.025 -1.672 0.162 1.00 0.00 H new ATOM 0 HG22 VAL A 125 1.482 -3.339 -0.145 1.00 0.00 H new ATOM 0 HG23 VAL A 125 3.052 -2.784 -0.772 1.00 0.00 H new ATOM 636 N VAL A 126 3.335 -3.041 -4.167 1.00 0.00 N ATOM 637 CA VAL A 126 4.680 -3.340 -4.511 1.00 0.00 C ATOM 638 C VAL A 126 5.523 -2.147 -4.183 1.00 0.00 C ATOM 639 O VAL A 126 5.299 -1.055 -4.720 1.00 0.00 O ATOM 640 CB VAL A 126 4.842 -3.681 -6.006 1.00 0.00 C ATOM 641 CG1 VAL A 126 6.299 -3.984 -6.319 1.00 0.00 C ATOM 642 CG2 VAL A 126 3.968 -4.860 -6.386 1.00 0.00 C ATOM 0 H VAL A 126 2.902 -2.330 -4.756 1.00 0.00 H new ATOM 0 HA VAL A 126 4.991 -4.217 -3.944 1.00 0.00 H new ATOM 0 HB VAL A 126 4.526 -2.818 -6.592 1.00 0.00 H new ATOM 0 HG11 VAL A 126 6.402 -4.223 -7.377 1.00 0.00 H new ATOM 0 HG12 VAL A 126 6.911 -3.113 -6.083 1.00 0.00 H new ATOM 0 HG13 VAL A 126 6.631 -4.833 -5.721 1.00 0.00 H new ATOM 0 HG21 VAL A 126 4.098 -5.083 -7.445 1.00 0.00 H new ATOM 0 HG22 VAL A 126 4.253 -5.730 -5.794 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.923 -4.616 -6.192 1.00 0.00 H new ATOM 652 N TYR A 127 6.449 -2.344 -3.300 1.00 0.00 N ATOM 653 CA TYR A 127 7.336 -1.301 -2.867 1.00 0.00 C ATOM 654 C TYR A 127 8.278 -0.922 -3.969 1.00 0.00 C ATOM 655 O TYR A 127 9.101 -1.740 -4.419 1.00 0.00 O ATOM 656 CB TYR A 127 8.098 -1.727 -1.643 1.00 0.00 C ATOM 657 CG TYR A 127 7.215 -1.959 -0.465 1.00 0.00 C ATOM 658 CD1 TYR A 127 6.772 -0.891 0.283 1.00 0.00 C ATOM 659 CD2 TYR A 127 6.817 -3.241 -0.093 1.00 0.00 C ATOM 660 CE1 TYR A 127 5.965 -1.073 1.362 1.00 0.00 C ATOM 661 CE2 TYR A 127 6.006 -3.434 0.980 1.00 0.00 C ATOM 662 CZ TYR A 127 5.579 -2.337 1.711 1.00 0.00 C ATOM 663 OH TYR A 127 4.754 -2.497 2.778 1.00 0.00 O ATOM 0 H TYR A 127 6.616 -3.244 -2.851 1.00 0.00 H new ATOM 0 HA TYR A 127 6.738 -0.427 -2.610 1.00 0.00 H new ATOM 0 HB2 TYR A 127 8.649 -2.641 -1.864 1.00 0.00 H new ATOM 0 HB3 TYR A 127 8.834 -0.963 -1.395 1.00 0.00 H new ATOM 0 HD1 TYR A 127 7.071 0.110 0.007 1.00 0.00 H new ATOM 0 HD2 TYR A 127 7.157 -4.092 -0.664 1.00 0.00 H new ATOM 0 HE1 TYR A 127 5.631 -0.224 1.940 1.00 0.00 H new ATOM 0 HE2 TYR A 127 5.698 -4.431 1.260 1.00 0.00 H new ATOM 0 HH TYR A 127 4.920 -3.370 3.192 1.00 0.00 H new ATOM 673 N THR A 128 8.159 0.298 -4.391 1.00 0.00 N ATOM 674 CA THR A 128 8.904 0.821 -5.478 1.00 0.00 C ATOM 675 C THR A 128 10.399 0.817 -5.171 1.00 0.00 C ATOM 676 O THR A 128 10.832 1.237 -4.093 1.00 0.00 O ATOM 677 CB THR A 128 8.432 2.249 -5.764 1.00 0.00 C ATOM 678 OG1 THR A 128 6.995 2.242 -5.948 1.00 0.00 O ATOM 679 CG2 THR A 128 9.104 2.777 -7.013 1.00 0.00 C ATOM 0 H THR A 128 7.519 0.973 -3.971 1.00 0.00 H new ATOM 0 HA THR A 128 8.741 0.192 -6.353 1.00 0.00 H new ATOM 0 HB THR A 128 8.694 2.894 -4.925 1.00 0.00 H new ATOM 0 HG1 THR A 128 6.684 3.153 -6.130 1.00 0.00 H new ATOM 0 HG21 THR A 128 8.762 3.793 -7.208 1.00 0.00 H new ATOM 0 HG22 THR A 128 10.185 2.779 -6.872 1.00 0.00 H new ATOM 0 HG23 THR A 128 8.850 2.140 -7.860 1.00 0.00 H new ATOM 687 N GLY A 129 11.167 0.306 -6.103 1.00 0.00 N ATOM 688 CA GLY A 129 12.590 0.253 -5.959 1.00 0.00 C ATOM 689 C GLY A 129 13.031 -1.072 -5.410 1.00 0.00 C ATOM 690 O GLY A 129 14.130 -1.541 -5.694 1.00 0.00 O ATOM 0 H GLY A 129 10.818 -0.083 -6.979 1.00 0.00 H new ATOM 0 HA2 GLY A 129 13.063 0.424 -6.926 1.00 0.00 H new ATOM 0 HA3 GLY A 129 12.921 1.053 -5.296 1.00 0.00 H new ATOM 694 N TYR A 130 12.167 -1.694 -4.653 1.00 0.00 N ATOM 695 CA TYR A 130 12.483 -2.947 -4.014 1.00 0.00 C ATOM 696 C TYR A 130 11.859 -4.105 -4.765 1.00 0.00 C ATOM 697 O TYR A 130 12.489 -5.134 -4.971 1.00 0.00 O ATOM 698 CB TYR A 130 12.007 -2.943 -2.565 1.00 0.00 C ATOM 699 CG TYR A 130 12.544 -1.789 -1.754 1.00 0.00 C ATOM 700 CD1 TYR A 130 13.839 -1.800 -1.269 1.00 0.00 C ATOM 701 CD2 TYR A 130 11.748 -0.693 -1.466 1.00 0.00 C ATOM 702 CE1 TYR A 130 14.329 -0.752 -0.520 1.00 0.00 C ATOM 703 CE2 TYR A 130 12.227 0.359 -0.719 1.00 0.00 C ATOM 704 CZ TYR A 130 13.516 0.325 -0.245 1.00 0.00 C ATOM 705 OH TYR A 130 14.003 1.380 0.498 1.00 0.00 O ATOM 0 H TYR A 130 11.226 -1.349 -4.461 1.00 0.00 H new ATOM 0 HA TYR A 130 13.566 -3.070 -4.027 1.00 0.00 H new ATOM 0 HB2 TYR A 130 10.918 -2.911 -2.550 1.00 0.00 H new ATOM 0 HB3 TYR A 130 12.305 -3.878 -2.091 1.00 0.00 H new ATOM 0 HD1 TYR A 130 14.478 -2.645 -1.481 1.00 0.00 H new ATOM 0 HD2 TYR A 130 10.733 -0.663 -1.834 1.00 0.00 H new ATOM 0 HE1 TYR A 130 15.344 -0.775 -0.151 1.00 0.00 H new ATOM 0 HE2 TYR A 130 11.593 1.207 -0.507 1.00 0.00 H new ATOM 0 HH TYR A 130 13.420 1.533 1.271 1.00 0.00 H new ATOM 715 N GLY A 131 10.622 -3.936 -5.173 1.00 0.00 N ATOM 716 CA GLY A 131 9.931 -4.981 -5.894 1.00 0.00 C ATOM 717 C GLY A 131 9.189 -5.906 -4.965 1.00 0.00 C ATOM 718 O GLY A 131 8.569 -6.875 -5.401 1.00 0.00 O ATOM 0 H GLY A 131 10.075 -3.089 -5.019 1.00 0.00 H new ATOM 0 HA2 GLY A 131 9.229 -4.534 -6.598 1.00 0.00 H new ATOM 0 HA3 GLY A 131 10.649 -5.554 -6.480 1.00 0.00 H new ATOM 722 N ASN A 132 9.256 -5.609 -3.688 1.00 0.00 N ATOM 723 CA ASN A 132 8.574 -6.400 -2.677 1.00 0.00 C ATOM 724 C ASN A 132 7.108 -6.167 -2.746 1.00 0.00 C ATOM 725 O ASN A 132 6.670 -5.075 -3.069 1.00 0.00 O ATOM 726 CB ASN A 132 9.008 -6.043 -1.273 1.00 0.00 C ATOM 727 CG ASN A 132 10.341 -6.582 -0.832 1.00 0.00 C ATOM 728 OD1 ASN A 132 11.275 -6.779 -1.614 1.00 0.00 O ATOM 729 ND2 ASN A 132 10.441 -6.791 0.442 1.00 0.00 N ATOM 0 H ASN A 132 9.781 -4.817 -3.317 1.00 0.00 H new ATOM 0 HA ASN A 132 8.830 -7.439 -2.884 1.00 0.00 H new ATOM 0 HB2 ASN A 132 9.033 -4.957 -1.188 1.00 0.00 H new ATOM 0 HB3 ASN A 132 8.248 -6.400 -0.578 1.00 0.00 H new ATOM 0 HD21 ASN A 132 11.318 -7.132 0.836 1.00 0.00 H new ATOM 0 HD22 ASN A 132 9.643 -6.615 1.052 1.00 0.00 H new ATOM 736 N ARG A 133 6.356 -7.153 -2.402 1.00 0.00 N ATOM 737 CA ARG A 133 4.935 -7.037 -2.432 1.00 0.00 C ATOM 738 C ARG A 133 4.333 -7.581 -1.159 1.00 0.00 C ATOM 739 O ARG A 133 4.755 -8.631 -0.655 1.00 0.00 O ATOM 740 CB ARG A 133 4.350 -7.696 -3.714 1.00 0.00 C ATOM 741 CG ARG A 133 4.615 -9.197 -3.902 1.00 0.00 C ATOM 742 CD ARG A 133 3.651 -10.075 -3.107 1.00 0.00 C ATOM 743 NE ARG A 133 3.921 -11.503 -3.288 1.00 0.00 N ATOM 744 CZ ARG A 133 3.462 -12.482 -2.496 1.00 0.00 C ATOM 745 NH1 ARG A 133 2.676 -12.196 -1.463 1.00 0.00 N ATOM 746 NH2 ARG A 133 3.774 -13.743 -2.748 1.00 0.00 N ATOM 0 H ARG A 133 6.704 -8.061 -2.093 1.00 0.00 H new ATOM 0 HA ARG A 133 4.665 -5.982 -2.481 1.00 0.00 H new ATOM 0 HB2 ARG A 133 3.271 -7.538 -3.715 1.00 0.00 H new ATOM 0 HB3 ARG A 133 4.750 -7.169 -4.580 1.00 0.00 H new ATOM 0 HG2 ARG A 133 4.536 -9.445 -4.960 1.00 0.00 H new ATOM 0 HG3 ARG A 133 5.637 -9.421 -3.598 1.00 0.00 H new ATOM 0 HD2 ARG A 133 3.724 -9.825 -2.049 1.00 0.00 H new ATOM 0 HD3 ARG A 133 2.628 -9.859 -3.415 1.00 0.00 H new ATOM 0 HE ARG A 133 4.505 -11.774 -4.079 1.00 0.00 H new ATOM 0 HH11 ARG A 133 2.419 -11.228 -1.270 1.00 0.00 H new ATOM 0 HH12 ARG A 133 2.329 -12.945 -0.863 1.00 0.00 H new ATOM 0 HH21 ARG A 133 4.365 -13.972 -3.547 1.00 0.00 H new ATOM 0 HH22 ARG A 133 3.423 -14.486 -2.143 1.00 0.00 H new ATOM 760 N GLU A 134 3.395 -6.876 -0.626 1.00 0.00 N ATOM 761 CA GLU A 134 2.704 -7.295 0.554 1.00 0.00 C ATOM 762 C GLU A 134 1.328 -6.671 0.544 1.00 0.00 C ATOM 763 O GLU A 134 1.091 -5.722 -0.208 1.00 0.00 O ATOM 764 CB GLU A 134 3.464 -7.012 1.853 1.00 0.00 C ATOM 765 CG GLU A 134 3.331 -5.634 2.372 1.00 0.00 C ATOM 766 CD GLU A 134 3.916 -5.496 3.749 1.00 0.00 C ATOM 767 OE1 GLU A 134 3.360 -6.100 4.662 1.00 0.00 O ATOM 768 OE2 GLU A 134 4.924 -4.806 3.947 1.00 0.00 O ATOM 0 H GLU A 134 3.079 -5.981 -0.999 1.00 0.00 H new ATOM 0 HA GLU A 134 2.620 -8.382 0.534 1.00 0.00 H new ATOM 0 HB2 GLU A 134 3.116 -7.706 2.618 1.00 0.00 H new ATOM 0 HB3 GLU A 134 4.521 -7.221 1.690 1.00 0.00 H new ATOM 0 HG2 GLU A 134 3.830 -4.941 1.694 1.00 0.00 H new ATOM 0 HG3 GLU A 134 2.278 -5.355 2.395 1.00 0.00 H new ATOM 775 N GLU A 135 0.426 -7.247 1.266 1.00 0.00 N ATOM 776 CA GLU A 135 -0.939 -6.821 1.256 1.00 0.00 C ATOM 777 C GLU A 135 -1.235 -5.863 2.404 1.00 0.00 C ATOM 778 O GLU A 135 -0.880 -6.115 3.566 1.00 0.00 O ATOM 779 CB GLU A 135 -1.844 -8.010 1.350 1.00 0.00 C ATOM 780 CG GLU A 135 -3.239 -7.717 0.880 1.00 0.00 C ATOM 781 CD GLU A 135 -4.159 -8.877 1.006 1.00 0.00 C ATOM 782 OE1 GLU A 135 -4.182 -9.738 0.101 1.00 0.00 O ATOM 783 OE2 GLU A 135 -4.914 -8.940 1.998 1.00 0.00 O ATOM 0 H GLU A 135 0.614 -8.034 1.886 1.00 0.00 H new ATOM 0 HA GLU A 135 -1.117 -6.293 0.319 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -1.429 -8.825 0.757 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -1.878 -8.354 2.384 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -3.640 -6.881 1.453 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -3.205 -7.401 -0.163 1.00 0.00 H new ATOM 790 N GLN A 136 -1.918 -4.810 2.078 1.00 0.00 N ATOM 791 CA GLN A 136 -2.290 -3.767 2.996 1.00 0.00 C ATOM 792 C GLN A 136 -3.722 -3.416 2.806 1.00 0.00 C ATOM 793 O GLN A 136 -4.279 -3.657 1.747 1.00 0.00 O ATOM 794 CB GLN A 136 -1.433 -2.496 2.856 1.00 0.00 C ATOM 795 CG GLN A 136 -0.191 -2.498 3.719 1.00 0.00 C ATOM 796 CD GLN A 136 1.019 -3.075 3.043 1.00 0.00 C ATOM 797 OE1 GLN A 136 0.916 -3.870 2.154 1.00 0.00 O ATOM 798 NE2 GLN A 136 2.166 -2.739 3.534 1.00 0.00 N ATOM 0 H GLN A 136 -2.247 -4.642 1.127 1.00 0.00 H new ATOM 0 HA GLN A 136 -2.117 -4.161 3.998 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -1.139 -2.381 1.813 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -2.041 -1.629 3.113 1.00 0.00 H new ATOM 0 HG2 GLN A 136 0.029 -1.475 4.024 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -0.393 -3.066 4.627 1.00 0.00 H new ATOM 0 HE21 GLN A 136 2.217 -2.058 4.292 1.00 0.00 H new ATOM 0 HE22 GLN A 136 3.021 -3.155 3.164 1.00 0.00 H new ATOM 807 N ASN A 137 -4.323 -2.849 3.807 1.00 0.00 N ATOM 808 CA ASN A 137 -5.724 -2.464 3.706 1.00 0.00 C ATOM 809 C ASN A 137 -5.814 -1.169 2.943 1.00 0.00 C ATOM 810 O ASN A 137 -4.926 -0.334 3.050 1.00 0.00 O ATOM 811 CB ASN A 137 -6.386 -2.268 5.084 1.00 0.00 C ATOM 812 CG ASN A 137 -6.300 -3.479 5.994 1.00 0.00 C ATOM 813 OD1 ASN A 137 -7.149 -4.357 5.967 1.00 0.00 O ATOM 814 ND2 ASN A 137 -5.301 -3.510 6.835 1.00 0.00 N ATOM 0 H ASN A 137 -3.882 -2.638 4.702 1.00 0.00 H new ATOM 0 HA ASN A 137 -6.251 -3.270 3.196 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -5.917 -1.419 5.582 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -7.435 -2.012 4.937 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -5.213 -4.283 7.495 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -4.608 -2.761 6.832 1.00 0.00 H new ATOM 821 N LEU A 138 -6.878 -0.991 2.196 1.00 0.00 N ATOM 822 CA LEU A 138 -7.125 0.241 1.433 1.00 0.00 C ATOM 823 C LEU A 138 -7.158 1.445 2.376 1.00 0.00 C ATOM 824 O LEU A 138 -6.715 2.539 2.040 1.00 0.00 O ATOM 825 CB LEU A 138 -8.463 0.136 0.693 1.00 0.00 C ATOM 826 CG LEU A 138 -8.580 -0.989 -0.332 1.00 0.00 C ATOM 827 CD1 LEU A 138 -10.005 -1.111 -0.804 1.00 0.00 C ATOM 828 CD2 LEU A 138 -7.668 -0.743 -1.512 1.00 0.00 C ATOM 0 H LEU A 138 -7.610 -1.693 2.090 1.00 0.00 H new ATOM 0 HA LEU A 138 -6.320 0.373 0.710 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -9.254 0.010 1.432 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -8.649 1.083 0.185 1.00 0.00 H new ATOM 0 HG LEU A 138 -8.278 -1.920 0.148 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -10.078 -1.916 -1.535 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -10.652 -1.332 0.045 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -10.317 -0.174 -1.264 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.771 -1.559 -2.227 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -7.940 0.197 -1.992 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -6.635 -0.689 -1.168 1.00 0.00 H new ATOM 840 N SER A 139 -7.664 1.205 3.567 1.00 0.00 N ATOM 841 CA SER A 139 -7.764 2.213 4.597 1.00 0.00 C ATOM 842 C SER A 139 -6.387 2.454 5.240 1.00 0.00 C ATOM 843 O SER A 139 -6.101 3.526 5.756 1.00 0.00 O ATOM 844 CB SER A 139 -8.768 1.730 5.645 1.00 0.00 C ATOM 845 OG SER A 139 -9.049 2.723 6.615 1.00 0.00 O ATOM 0 H SER A 139 -8.022 0.292 3.849 1.00 0.00 H new ATOM 0 HA SER A 139 -8.103 3.156 4.168 1.00 0.00 H new ATOM 0 HB2 SER A 139 -9.694 1.436 5.150 1.00 0.00 H new ATOM 0 HB3 SER A 139 -8.375 0.842 6.140 1.00 0.00 H new ATOM 0 HG SER A 139 -9.695 2.373 7.263 1.00 0.00 H new ATOM 851 N ASP A 140 -5.545 1.458 5.159 1.00 0.00 N ATOM 852 CA ASP A 140 -4.200 1.490 5.746 1.00 0.00 C ATOM 853 C ASP A 140 -3.183 2.090 4.807 1.00 0.00 C ATOM 854 O ASP A 140 -2.048 2.362 5.209 1.00 0.00 O ATOM 855 CB ASP A 140 -3.751 0.089 6.170 1.00 0.00 C ATOM 856 CG ASP A 140 -4.211 -0.299 7.547 1.00 0.00 C ATOM 857 OD1 ASP A 140 -5.413 -0.540 7.756 1.00 0.00 O ATOM 858 OD2 ASP A 140 -3.363 -0.400 8.453 1.00 0.00 O ATOM 0 H ASP A 140 -5.761 0.583 4.681 1.00 0.00 H new ATOM 0 HA ASP A 140 -4.260 2.128 6.628 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -4.130 -0.638 5.451 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -2.663 0.038 6.132 1.00 0.00 H new ATOM 863 N LEU A 141 -3.565 2.241 3.561 1.00 0.00 N ATOM 864 CA LEU A 141 -2.716 2.873 2.563 1.00 0.00 C ATOM 865 C LEU A 141 -2.580 4.344 2.813 1.00 0.00 C ATOM 866 O LEU A 141 -3.540 5.015 3.219 1.00 0.00 O ATOM 867 CB LEU A 141 -3.256 2.685 1.152 1.00 0.00 C ATOM 868 CG LEU A 141 -3.338 1.276 0.619 1.00 0.00 C ATOM 869 CD1 LEU A 141 -3.771 1.310 -0.826 1.00 0.00 C ATOM 870 CD2 LEU A 141 -2.011 0.575 0.758 1.00 0.00 C ATOM 0 H LEU A 141 -4.470 1.932 3.205 1.00 0.00 H new ATOM 0 HA LEU A 141 -1.744 2.387 2.648 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -4.256 3.117 1.114 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.632 3.266 0.473 1.00 0.00 H new ATOM 0 HG LEU A 141 -4.073 0.719 1.200 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -3.831 0.292 -1.212 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -4.749 1.785 -0.902 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -3.046 1.878 -1.410 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -2.093 -0.439 0.368 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -1.251 1.120 0.197 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -1.728 0.537 1.810 1.00 0.00 H new ATOM 882 N LEU A 142 -1.413 4.847 2.558 1.00 0.00 N ATOM 883 CA LEU A 142 -1.156 6.240 2.715 1.00 0.00 C ATOM 884 C LEU A 142 -0.870 6.854 1.375 1.00 0.00 C ATOM 885 O LEU A 142 -0.537 6.140 0.421 1.00 0.00 O ATOM 886 CB LEU A 142 0.013 6.515 3.668 1.00 0.00 C ATOM 887 CG LEU A 142 -0.128 5.997 5.101 1.00 0.00 C ATOM 888 CD1 LEU A 142 0.256 4.522 5.228 1.00 0.00 C ATOM 889 CD2 LEU A 142 0.645 6.876 6.062 1.00 0.00 C ATOM 0 H LEU A 142 -0.613 4.302 2.235 1.00 0.00 H new ATOM 0 HA LEU A 142 -2.047 6.689 3.154 1.00 0.00 H new ATOM 0 HB2 LEU A 142 0.913 6.078 3.236 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.170 7.593 3.710 1.00 0.00 H new ATOM 0 HG LEU A 142 -1.182 6.053 5.371 1.00 0.00 H new ATOM 0 HD11 LEU A 142 0.139 4.203 6.264 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -0.390 3.921 4.588 1.00 0.00 H new ATOM 0 HD13 LEU A 142 1.294 4.389 4.923 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.533 6.492 7.076 1.00 0.00 H new ATOM 0 HD22 LEU A 142 1.700 6.875 5.788 1.00 0.00 H new ATOM 0 HD23 LEU A 142 0.259 7.894 6.015 1.00 0.00 H new ATOM 901 N SER A 143 -1.004 8.151 1.305 1.00 0.00 N ATOM 902 CA SER A 143 -0.754 8.916 0.158 1.00 0.00 C ATOM 903 C SER A 143 0.731 8.813 -0.241 1.00 0.00 C ATOM 904 O SER A 143 1.610 8.783 0.633 1.00 0.00 O ATOM 905 CB SER A 143 -1.116 10.324 0.543 1.00 0.00 C ATOM 906 OG SER A 143 -2.432 10.353 1.100 1.00 0.00 O ATOM 0 H SER A 143 -1.308 8.713 2.100 1.00 0.00 H new ATOM 0 HA SER A 143 -1.329 8.575 -0.703 1.00 0.00 H new ATOM 0 HB2 SER A 143 -0.397 10.709 1.266 1.00 0.00 H new ATOM 0 HB3 SER A 143 -1.067 10.973 -0.331 1.00 0.00 H new ATOM 0 HG SER A 143 -2.661 11.272 1.350 1.00 0.00 H new