USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 448 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 Single : A 100 TYR OH : rot -160:sc= 1.22 USER MOD Single : A 102 LYS NZ :NH3+ -119:sc= 1.11 (180deg=-0.267) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0.00357 USER MOD Single : A 110 THR OG1 : rot -160:sc= 0.0175 USER MOD Single : A 113 MET CE :methyl -142:sc= -1.08 (180deg=-1.74) USER MOD Single : A 123 THR OG1 : rot -35:sc= 0.478 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 132 MET CE :methyl -161:sc= -0.356 (180deg=-1.3) USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD Single : A 143 THR OG1 : rot -90:sc= -2.68! USER MOD Single : A 150 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 153 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 54 N GLU A 92 10.611 5.788 -5.612 1.00 0.00 N ATOM 55 CA GLU A 92 9.195 6.107 -5.492 1.00 0.00 C ATOM 56 C GLU A 92 8.603 5.311 -4.322 1.00 0.00 C ATOM 57 O GLU A 92 9.341 4.591 -3.657 1.00 0.00 O ATOM 58 CB GLU A 92 8.506 5.768 -6.826 1.00 0.00 C ATOM 59 CG GLU A 92 7.016 6.069 -6.895 1.00 0.00 C ATOM 60 CD GLU A 92 6.686 7.496 -6.531 1.00 0.00 C ATOM 61 OE1 GLU A 92 6.761 8.371 -7.416 1.00 0.00 O ATOM 62 OE2 GLU A 92 6.344 7.740 -5.359 1.00 0.00 O ATOM 0 HA GLU A 92 9.042 7.166 -5.286 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.006 6.319 -7.622 1.00 0.00 H new ATOM 0 HB3 GLU A 92 8.653 4.708 -7.031 1.00 0.00 H new ATOM 0 HG2 GLU A 92 6.656 5.864 -7.903 1.00 0.00 H new ATOM 0 HG3 GLU A 92 6.483 5.396 -6.223 1.00 0.00 H new ATOM 69 N LEU A 93 7.299 5.424 -4.068 1.00 0.00 N ATOM 70 CA LEU A 93 6.646 4.641 -3.009 1.00 0.00 C ATOM 71 C LEU A 93 6.944 3.143 -3.149 1.00 0.00 C ATOM 72 O LEU A 93 6.799 2.374 -2.196 1.00 0.00 O ATOM 73 CB LEU A 93 5.133 4.876 -3.021 1.00 0.00 C ATOM 74 CG LEU A 93 4.694 6.316 -2.739 1.00 0.00 C ATOM 75 CD1 LEU A 93 3.178 6.425 -2.757 1.00 0.00 C ATOM 76 CD2 LEU A 93 5.246 6.796 -1.403 1.00 0.00 C ATOM 0 H LEU A 93 6.672 6.047 -4.577 1.00 0.00 H new ATOM 0 HA LEU A 93 7.053 4.979 -2.056 1.00 0.00 H new ATOM 0 HB2 LEU A 93 4.743 4.578 -3.994 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.674 4.222 -2.280 1.00 0.00 H new ATOM 0 HG LEU A 93 5.096 6.955 -3.525 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.885 7.455 -2.555 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.803 6.127 -3.736 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.757 5.771 -1.993 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.922 7.821 -1.223 1.00 0.00 H new ATOM 0 HD22 LEU A 93 4.876 6.153 -0.604 1.00 0.00 H new ATOM 0 HD23 LEU A 93 6.335 6.758 -1.425 1.00 0.00 H new ATOM 88 N ARG A 94 7.384 2.749 -4.344 1.00 0.00 N ATOM 89 CA ARG A 94 7.836 1.388 -4.619 1.00 0.00 C ATOM 90 C ARG A 94 8.902 0.947 -3.610 1.00 0.00 C ATOM 91 O ARG A 94 9.099 -0.249 -3.389 1.00 0.00 O ATOM 92 CB ARG A 94 8.413 1.329 -6.038 1.00 0.00 C ATOM 93 CG ARG A 94 8.444 -0.064 -6.648 1.00 0.00 C ATOM 94 CD ARG A 94 7.042 -0.638 -6.798 1.00 0.00 C ATOM 95 NE ARG A 94 6.119 0.305 -7.434 1.00 0.00 N ATOM 96 CZ ARG A 94 5.287 -0.010 -8.429 1.00 0.00 C ATOM 97 NH1 ARG A 94 5.354 -1.200 -9.012 1.00 0.00 N ATOM 98 NH2 ARG A 94 4.414 0.887 -8.869 1.00 0.00 N ATOM 0 H ARG A 94 7.437 3.370 -5.152 1.00 0.00 H new ATOM 0 HA ARG A 94 6.985 0.712 -4.531 1.00 0.00 H new ATOM 0 HB2 ARG A 94 7.825 1.982 -6.683 1.00 0.00 H new ATOM 0 HB3 ARG A 94 9.427 1.727 -6.021 1.00 0.00 H new ATOM 0 HG2 ARG A 94 8.929 -0.025 -7.624 1.00 0.00 H new ATOM 0 HG3 ARG A 94 9.043 -0.724 -6.021 1.00 0.00 H new ATOM 0 HD2 ARG A 94 7.088 -1.552 -7.389 1.00 0.00 H new ATOM 0 HD3 ARG A 94 6.657 -0.913 -5.816 1.00 0.00 H new ATOM 0 HE ARG A 94 6.112 1.267 -7.094 1.00 0.00 H new ATOM 0 HH11 ARG A 94 6.045 -1.882 -8.700 1.00 0.00 H new ATOM 0 HH12 ARG A 94 4.714 -1.432 -9.772 1.00 0.00 H new ATOM 0 HH21 ARG A 94 4.380 1.815 -8.447 1.00 0.00 H new ATOM 0 HH22 ARG A 94 3.777 0.649 -9.629 1.00 0.00 H new ATOM 112 N GLU A 95 9.588 1.919 -3.004 1.00 0.00 N ATOM 113 CA GLU A 95 10.604 1.638 -1.996 1.00 0.00 C ATOM 114 C GLU A 95 10.021 0.817 -0.850 1.00 0.00 C ATOM 115 O GLU A 95 10.588 -0.198 -0.463 1.00 0.00 O ATOM 116 CB GLU A 95 11.220 2.935 -1.447 1.00 0.00 C ATOM 117 CG GLU A 95 10.201 3.905 -0.860 1.00 0.00 C ATOM 118 CD GLU A 95 10.839 5.022 -0.063 1.00 0.00 C ATOM 119 OE1 GLU A 95 11.640 5.789 -0.631 1.00 0.00 O ATOM 120 OE2 GLU A 95 10.543 5.135 1.147 1.00 0.00 O ATOM 0 H GLU A 95 9.455 2.912 -3.198 1.00 0.00 H new ATOM 0 HA GLU A 95 11.391 1.060 -2.480 1.00 0.00 H new ATOM 0 HB2 GLU A 95 11.950 2.681 -0.678 1.00 0.00 H new ATOM 0 HB3 GLU A 95 11.763 3.435 -2.249 1.00 0.00 H new ATOM 0 HG2 GLU A 95 9.609 4.335 -1.668 1.00 0.00 H new ATOM 0 HG3 GLU A 95 9.512 3.356 -0.218 1.00 0.00 H new ATOM 127 N ALA A 96 8.867 1.235 -0.340 1.00 0.00 N ATOM 128 CA ALA A 96 8.238 0.557 0.786 1.00 0.00 C ATOM 129 C ALA A 96 7.847 -0.865 0.405 1.00 0.00 C ATOM 130 O ALA A 96 7.925 -1.782 1.223 1.00 0.00 O ATOM 131 CB ALA A 96 7.019 1.336 1.261 1.00 0.00 C ATOM 0 H ALA A 96 8.349 2.041 -0.690 1.00 0.00 H new ATOM 0 HA ALA A 96 8.957 0.507 1.603 1.00 0.00 H new ATOM 0 HB1 ALA A 96 6.560 0.817 2.102 1.00 0.00 H new ATOM 0 HB2 ALA A 96 7.324 2.334 1.574 1.00 0.00 H new ATOM 0 HB3 ALA A 96 6.298 1.415 0.447 1.00 0.00 H new ATOM 137 N PHE A 97 7.459 -1.042 -0.850 1.00 0.00 N ATOM 138 CA PHE A 97 7.069 -2.349 -1.352 1.00 0.00 C ATOM 139 C PHE A 97 8.268 -3.298 -1.341 1.00 0.00 C ATOM 140 O PHE A 97 8.176 -4.428 -0.859 1.00 0.00 O ATOM 141 CB PHE A 97 6.507 -2.214 -2.769 1.00 0.00 C ATOM 142 CG PHE A 97 5.746 -3.418 -3.247 1.00 0.00 C ATOM 143 CD1 PHE A 97 4.446 -3.635 -2.825 1.00 0.00 C ATOM 144 CD2 PHE A 97 6.326 -4.326 -4.120 1.00 0.00 C ATOM 145 CE1 PHE A 97 3.735 -4.734 -3.262 1.00 0.00 C ATOM 146 CE2 PHE A 97 5.619 -5.427 -4.562 1.00 0.00 C ATOM 147 CZ PHE A 97 4.321 -5.630 -4.133 1.00 0.00 C ATOM 0 H PHE A 97 7.406 -0.293 -1.540 1.00 0.00 H new ATOM 0 HA PHE A 97 6.296 -2.763 -0.705 1.00 0.00 H new ATOM 0 HB2 PHE A 97 5.850 -1.345 -2.806 1.00 0.00 H new ATOM 0 HB3 PHE A 97 7.330 -2.021 -3.457 1.00 0.00 H new ATOM 0 HD1 PHE A 97 3.982 -2.936 -2.145 1.00 0.00 H new ATOM 0 HD2 PHE A 97 7.340 -4.171 -4.457 1.00 0.00 H new ATOM 0 HE1 PHE A 97 2.722 -4.893 -2.923 1.00 0.00 H new ATOM 0 HE2 PHE A 97 6.080 -6.128 -5.242 1.00 0.00 H new ATOM 0 HZ PHE A 97 3.766 -6.489 -4.479 1.00 0.00 H new ATOM 157 N ARG A 98 9.400 -2.810 -1.841 1.00 0.00 N ATOM 158 CA ARG A 98 10.615 -3.618 -1.928 1.00 0.00 C ATOM 159 C ARG A 98 11.353 -3.670 -0.587 1.00 0.00 C ATOM 160 O ARG A 98 12.307 -4.432 -0.425 1.00 0.00 O ATOM 161 CB ARG A 98 11.541 -3.103 -3.035 1.00 0.00 C ATOM 162 CG ARG A 98 12.009 -1.673 -2.844 1.00 0.00 C ATOM 163 CD ARG A 98 13.008 -1.272 -3.916 1.00 0.00 C ATOM 164 NE ARG A 98 13.495 0.097 -3.740 1.00 0.00 N ATOM 165 CZ ARG A 98 14.602 0.410 -3.059 1.00 0.00 C ATOM 166 NH1 ARG A 98 15.270 -0.531 -2.392 1.00 0.00 N ATOM 167 NH2 ARG A 98 15.027 1.670 -3.019 1.00 0.00 N ATOM 0 H ARG A 98 9.502 -1.858 -2.193 1.00 0.00 H new ATOM 0 HA ARG A 98 10.312 -4.634 -2.181 1.00 0.00 H new ATOM 0 HB2 ARG A 98 12.414 -3.753 -3.094 1.00 0.00 H new ATOM 0 HB3 ARG A 98 11.022 -3.178 -3.991 1.00 0.00 H new ATOM 0 HG2 ARG A 98 11.152 -1.000 -2.873 1.00 0.00 H new ATOM 0 HG3 ARG A 98 12.465 -1.566 -1.860 1.00 0.00 H new ATOM 0 HD2 ARG A 98 13.853 -1.961 -3.898 1.00 0.00 H new ATOM 0 HD3 ARG A 98 12.542 -1.366 -4.897 1.00 0.00 H new ATOM 0 HE ARG A 98 12.959 0.856 -4.161 1.00 0.00 H new ATOM 0 HH11 ARG A 98 14.937 -1.495 -2.400 1.00 0.00 H new ATOM 0 HH12 ARG A 98 16.114 -0.287 -1.874 1.00 0.00 H new ATOM 0 HH21 ARG A 98 14.508 2.399 -3.508 1.00 0.00 H new ATOM 0 HH22 ARG A 98 15.872 1.907 -2.499 1.00 0.00 H new ATOM 181 N LEU A 99 10.949 -2.830 0.356 1.00 0.00 N ATOM 182 CA LEU A 99 11.495 -2.888 1.708 1.00 0.00 C ATOM 183 C LEU A 99 10.806 -3.981 2.513 1.00 0.00 C ATOM 184 O LEU A 99 11.463 -4.770 3.192 1.00 0.00 O ATOM 185 CB LEU A 99 11.342 -1.544 2.422 1.00 0.00 C ATOM 186 CG LEU A 99 12.275 -0.433 1.937 1.00 0.00 C ATOM 187 CD1 LEU A 99 11.994 0.863 2.681 1.00 0.00 C ATOM 188 CD2 LEU A 99 13.728 -0.848 2.115 1.00 0.00 C ATOM 0 H LEU A 99 10.248 -2.103 0.212 1.00 0.00 H new ATOM 0 HA LEU A 99 12.558 -3.118 1.629 1.00 0.00 H new ATOM 0 HB2 LEU A 99 10.312 -1.206 2.307 1.00 0.00 H new ATOM 0 HB3 LEU A 99 11.510 -1.697 3.488 1.00 0.00 H new ATOM 0 HG LEU A 99 12.091 -0.264 0.876 1.00 0.00 H new ATOM 0 HD11 LEU A 99 12.667 1.642 2.323 1.00 0.00 H new ATOM 0 HD12 LEU A 99 10.962 1.167 2.506 1.00 0.00 H new ATOM 0 HD13 LEU A 99 12.151 0.711 3.749 1.00 0.00 H new ATOM 0 HD21 LEU A 99 14.380 -0.048 1.766 1.00 0.00 H new ATOM 0 HD22 LEU A 99 13.924 -1.042 3.169 1.00 0.00 H new ATOM 0 HD23 LEU A 99 13.922 -1.752 1.538 1.00 0.00 H new ATOM 200 N TYR A 100 9.479 -4.019 2.439 1.00 0.00 N ATOM 201 CA TYR A 100 8.707 -5.034 3.145 1.00 0.00 C ATOM 202 C TYR A 100 8.930 -6.410 2.532 1.00 0.00 C ATOM 203 O TYR A 100 9.222 -7.372 3.245 1.00 0.00 O ATOM 204 CB TYR A 100 7.220 -4.675 3.157 1.00 0.00 C ATOM 205 CG TYR A 100 6.834 -3.721 4.271 1.00 0.00 C ATOM 206 CD1 TYR A 100 7.164 -2.370 4.218 1.00 0.00 C ATOM 207 CD2 TYR A 100 6.131 -4.177 5.379 1.00 0.00 C ATOM 208 CE1 TYR A 100 6.806 -1.507 5.238 1.00 0.00 C ATOM 209 CE2 TYR A 100 5.771 -3.320 6.401 1.00 0.00 C ATOM 210 CZ TYR A 100 6.109 -1.990 6.327 1.00 0.00 C ATOM 211 OH TYR A 100 5.738 -1.135 7.342 1.00 0.00 O ATOM 0 H TYR A 100 8.918 -3.360 1.899 1.00 0.00 H new ATOM 0 HA TYR A 100 9.055 -5.066 4.178 1.00 0.00 H new ATOM 0 HB2 TYR A 100 6.955 -4.228 2.199 1.00 0.00 H new ATOM 0 HB3 TYR A 100 6.635 -5.589 3.254 1.00 0.00 H new ATOM 0 HD1 TYR A 100 7.708 -1.989 3.367 1.00 0.00 H new ATOM 0 HD2 TYR A 100 5.861 -5.221 5.443 1.00 0.00 H new ATOM 0 HE1 TYR A 100 7.070 -0.461 5.183 1.00 0.00 H new ATOM 0 HE2 TYR A 100 5.226 -3.694 7.255 1.00 0.00 H new ATOM 0 HH TYR A 100 5.552 -1.652 8.153 1.00 0.00 H new ATOM 221 N ASP A 101 8.803 -6.506 1.216 1.00 0.00 N ATOM 222 CA ASP A 101 9.129 -7.744 0.520 1.00 0.00 C ATOM 223 C ASP A 101 10.248 -7.479 -0.472 1.00 0.00 C ATOM 224 O ASP A 101 10.018 -7.021 -1.590 1.00 0.00 O ATOM 225 CB ASP A 101 7.915 -8.332 -0.195 1.00 0.00 C ATOM 226 CG ASP A 101 8.153 -9.774 -0.613 1.00 0.00 C ATOM 227 OD1 ASP A 101 8.683 -10.008 -1.714 1.00 0.00 O ATOM 228 OD2 ASP A 101 7.808 -10.690 0.169 1.00 0.00 O ATOM 0 H ASP A 101 8.480 -5.750 0.613 1.00 0.00 H new ATOM 0 HA ASP A 101 9.453 -8.477 1.259 1.00 0.00 H new ATOM 0 HB2 ASP A 101 7.046 -8.282 0.462 1.00 0.00 H new ATOM 0 HB3 ASP A 101 7.685 -7.731 -1.075 1.00 0.00 H new ATOM 233 N LYS A 102 11.463 -7.750 -0.037 1.00 0.00 N ATOM 234 CA LYS A 102 12.652 -7.416 -0.803 1.00 0.00 C ATOM 235 C LYS A 102 12.900 -8.389 -1.952 1.00 0.00 C ATOM 236 O LYS A 102 13.486 -8.023 -2.973 1.00 0.00 O ATOM 237 CB LYS A 102 13.865 -7.393 0.129 1.00 0.00 C ATOM 238 CG LYS A 102 15.184 -7.214 -0.595 1.00 0.00 C ATOM 239 CD LYS A 102 16.363 -7.290 0.353 1.00 0.00 C ATOM 240 CE LYS A 102 17.658 -7.455 -0.417 1.00 0.00 C ATOM 241 NZ LYS A 102 17.752 -8.795 -1.056 1.00 0.00 N ATOM 0 H LYS A 102 11.656 -8.207 0.855 1.00 0.00 H new ATOM 0 HA LYS A 102 12.494 -6.432 -1.245 1.00 0.00 H new ATOM 0 HB2 LYS A 102 13.743 -6.585 0.850 1.00 0.00 H new ATOM 0 HB3 LYS A 102 13.895 -8.324 0.696 1.00 0.00 H new ATOM 0 HG2 LYS A 102 15.285 -7.982 -1.362 1.00 0.00 H new ATOM 0 HG3 LYS A 102 15.190 -6.251 -1.106 1.00 0.00 H new ATOM 0 HD2 LYS A 102 16.407 -6.386 0.960 1.00 0.00 H new ATOM 0 HD3 LYS A 102 16.232 -8.127 1.038 1.00 0.00 H new ATOM 0 HE2 LYS A 102 17.727 -6.682 -1.182 1.00 0.00 H new ATOM 0 HE3 LYS A 102 18.503 -7.313 0.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 18.578 -9.302 -0.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 16.889 -9.339 -0.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 17.854 -8.683 -2.085 1.00 0.00 H new ATOM 255 N GLU A 103 12.436 -9.615 -1.809 1.00 0.00 N ATOM 256 CA GLU A 103 12.840 -10.679 -2.714 1.00 0.00 C ATOM 257 C GLU A 103 11.902 -10.807 -3.914 1.00 0.00 C ATOM 258 O GLU A 103 11.502 -11.911 -4.291 1.00 0.00 O ATOM 259 CB GLU A 103 12.933 -11.996 -1.946 1.00 0.00 C ATOM 260 CG GLU A 103 13.923 -11.944 -0.791 1.00 0.00 C ATOM 261 CD GLU A 103 15.339 -11.636 -1.247 1.00 0.00 C ATOM 262 OE1 GLU A 103 15.650 -10.454 -1.517 1.00 0.00 O ATOM 263 OE2 GLU A 103 16.151 -12.581 -1.341 1.00 0.00 O ATOM 0 H GLU A 103 11.782 -9.901 -1.080 1.00 0.00 H new ATOM 0 HA GLU A 103 13.821 -10.426 -3.116 1.00 0.00 H new ATOM 0 HB2 GLU A 103 11.947 -12.255 -1.560 1.00 0.00 H new ATOM 0 HB3 GLU A 103 13.226 -12.790 -2.633 1.00 0.00 H new ATOM 0 HG2 GLU A 103 13.602 -11.186 -0.077 1.00 0.00 H new ATOM 0 HG3 GLU A 103 13.914 -12.900 -0.267 1.00 0.00 H new ATOM 270 N GLY A 104 11.564 -9.674 -4.518 1.00 0.00 N ATOM 271 CA GLY A 104 10.793 -9.688 -5.745 1.00 0.00 C ATOM 272 C GLY A 104 9.469 -8.968 -5.622 1.00 0.00 C ATOM 273 O GLY A 104 9.356 -7.974 -4.905 1.00 0.00 O ATOM 0 H GLY A 104 11.811 -8.744 -4.178 1.00 0.00 H new ATOM 0 HA2 GLY A 104 11.378 -9.226 -6.540 1.00 0.00 H new ATOM 0 HA3 GLY A 104 10.612 -10.721 -6.041 1.00 0.00 H new ATOM 277 N ASN A 105 8.468 -9.470 -6.335 1.00 0.00 N ATOM 278 CA ASN A 105 7.129 -8.901 -6.289 1.00 0.00 C ATOM 279 C ASN A 105 6.370 -9.504 -5.122 1.00 0.00 C ATOM 280 O ASN A 105 5.783 -10.579 -5.241 1.00 0.00 O ATOM 281 CB ASN A 105 6.372 -9.182 -7.591 1.00 0.00 C ATOM 282 CG ASN A 105 7.088 -8.662 -8.823 1.00 0.00 C ATOM 283 OD1 ASN A 105 7.798 -7.654 -8.771 1.00 0.00 O ATOM 284 ND2 ASN A 105 6.904 -9.345 -9.941 1.00 0.00 N ATOM 0 H ASN A 105 8.561 -10.275 -6.955 1.00 0.00 H new ATOM 0 HA ASN A 105 7.212 -7.821 -6.164 1.00 0.00 H new ATOM 0 HB2 ASN A 105 6.223 -10.257 -7.692 1.00 0.00 H new ATOM 0 HB3 ASN A 105 5.383 -8.727 -7.534 1.00 0.00 H new ATOM 0 HD21 ASN A 105 7.357 -9.043 -10.803 1.00 0.00 H new ATOM 0 HD22 ASN A 105 6.309 -10.173 -9.941 1.00 0.00 H new ATOM 291 N GLY A 106 6.404 -8.824 -3.995 1.00 0.00 N ATOM 292 CA GLY A 106 5.812 -9.356 -2.796 1.00 0.00 C ATOM 293 C GLY A 106 4.318 -9.169 -2.730 1.00 0.00 C ATOM 294 O GLY A 106 3.832 -8.073 -2.462 1.00 0.00 O ATOM 0 H GLY A 106 6.835 -7.906 -3.889 1.00 0.00 H new ATOM 0 HA2 GLY A 106 6.041 -10.420 -2.728 1.00 0.00 H new ATOM 0 HA3 GLY A 106 6.269 -8.876 -1.931 1.00 0.00 H new ATOM 298 N TYR A 107 3.590 -10.241 -2.991 1.00 0.00 N ATOM 299 CA TYR A 107 2.148 -10.262 -2.769 1.00 0.00 C ATOM 300 C TYR A 107 1.886 -10.332 -1.270 1.00 0.00 C ATOM 301 O TYR A 107 1.527 -11.378 -0.722 1.00 0.00 O ATOM 302 CB TYR A 107 1.500 -11.441 -3.499 1.00 0.00 C ATOM 303 CG TYR A 107 1.649 -11.367 -5.003 1.00 0.00 C ATOM 304 CD1 TYR A 107 2.821 -11.771 -5.632 1.00 0.00 C ATOM 305 CD2 TYR A 107 0.617 -10.883 -5.793 1.00 0.00 C ATOM 306 CE1 TYR A 107 2.958 -11.689 -7.005 1.00 0.00 C ATOM 307 CE2 TYR A 107 0.745 -10.800 -7.166 1.00 0.00 C ATOM 308 CZ TYR A 107 1.918 -11.204 -7.768 1.00 0.00 C ATOM 309 OH TYR A 107 2.054 -11.116 -9.135 1.00 0.00 O ATOM 0 H TYR A 107 3.972 -11.113 -3.358 1.00 0.00 H new ATOM 0 HA TYR A 107 1.702 -9.352 -3.172 1.00 0.00 H new ATOM 0 HB2 TYR A 107 1.945 -12.370 -3.142 1.00 0.00 H new ATOM 0 HB3 TYR A 107 0.440 -11.478 -3.247 1.00 0.00 H new ATOM 0 HD1 TYR A 107 3.637 -12.155 -5.038 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -0.304 -10.565 -5.326 1.00 0.00 H new ATOM 0 HE1 TYR A 107 3.876 -12.004 -7.478 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -0.070 -10.421 -7.765 1.00 0.00 H new ATOM 0 HH TYR A 107 1.230 -10.755 -9.523 1.00 0.00 H new ATOM 319 N ILE A 108 2.101 -9.202 -0.618 1.00 0.00 N ATOM 320 CA ILE A 108 2.093 -9.124 0.830 1.00 0.00 C ATOM 321 C ILE A 108 0.706 -9.318 1.406 1.00 0.00 C ATOM 322 O ILE A 108 -0.292 -8.852 0.855 1.00 0.00 O ATOM 323 CB ILE A 108 2.654 -7.770 1.316 1.00 0.00 C ATOM 324 CG1 ILE A 108 1.920 -6.605 0.638 1.00 0.00 C ATOM 325 CG2 ILE A 108 4.151 -7.695 1.045 1.00 0.00 C ATOM 326 CD1 ILE A 108 2.343 -5.241 1.136 1.00 0.00 C ATOM 0 H ILE A 108 2.286 -8.312 -1.080 1.00 0.00 H new ATOM 0 HA ILE A 108 2.731 -9.934 1.184 1.00 0.00 H new ATOM 0 HB ILE A 108 2.491 -7.691 2.391 1.00 0.00 H new ATOM 0 HG12 ILE A 108 2.091 -6.657 -0.437 1.00 0.00 H new ATOM 0 HG13 ILE A 108 0.848 -6.722 0.796 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.536 -6.736 1.392 1.00 0.00 H new ATOM 0 HG22 ILE A 108 4.657 -8.502 1.574 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.332 -7.793 -0.025 1.00 0.00 H new ATOM 0 HD11 ILE A 108 1.780 -4.471 0.609 1.00 0.00 H new ATOM 0 HD12 ILE A 108 2.146 -5.167 2.206 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.408 -5.101 0.953 1.00 0.00 H new ATOM 338 N SER A 109 0.668 -10.031 2.524 1.00 0.00 N ATOM 339 CA SER A 109 -0.544 -10.193 3.292 1.00 0.00 C ATOM 340 C SER A 109 -1.020 -8.824 3.745 1.00 0.00 C ATOM 341 O SER A 109 -0.232 -8.009 4.229 1.00 0.00 O ATOM 342 CB SER A 109 -0.271 -11.103 4.487 1.00 0.00 C ATOM 343 OG SER A 109 0.429 -12.265 4.071 1.00 0.00 O ATOM 0 H SER A 109 1.478 -10.510 2.917 1.00 0.00 H new ATOM 0 HA SER A 109 -1.323 -10.655 2.685 1.00 0.00 H new ATOM 0 HB2 SER A 109 0.313 -10.567 5.235 1.00 0.00 H new ATOM 0 HB3 SER A 109 -1.212 -11.386 4.959 1.00 0.00 H new ATOM 0 HG SER A 109 0.599 -12.839 4.847 1.00 0.00 H new ATOM 349 N THR A 110 -2.300 -8.572 3.571 1.00 0.00 N ATOM 350 CA THR A 110 -2.863 -7.250 3.770 1.00 0.00 C ATOM 351 C THR A 110 -2.778 -6.780 5.220 1.00 0.00 C ATOM 352 O THR A 110 -2.875 -5.580 5.496 1.00 0.00 O ATOM 353 CB THR A 110 -4.308 -7.213 3.274 1.00 0.00 C ATOM 354 OG1 THR A 110 -5.045 -8.332 3.787 1.00 0.00 O ATOM 355 CG2 THR A 110 -4.327 -7.245 1.763 1.00 0.00 C ATOM 0 H THR A 110 -2.981 -9.277 3.288 1.00 0.00 H new ATOM 0 HA THR A 110 -2.261 -6.555 3.184 1.00 0.00 H new ATOM 0 HB THR A 110 -4.775 -6.294 3.628 1.00 0.00 H new ATOM 0 HG1 THR A 110 -5.841 -8.480 3.235 1.00 0.00 H new ATOM 0 HG21 THR A 110 -5.358 -7.219 1.411 1.00 0.00 H new ATOM 0 HG22 THR A 110 -3.789 -6.381 1.374 1.00 0.00 H new ATOM 0 HG23 THR A 110 -3.848 -8.159 1.412 1.00 0.00 H new ATOM 363 N ASP A 111 -2.587 -7.723 6.136 1.00 0.00 N ATOM 364 CA ASP A 111 -2.305 -7.395 7.530 1.00 0.00 C ATOM 365 C ASP A 111 -1.065 -6.512 7.609 1.00 0.00 C ATOM 366 O ASP A 111 -1.036 -5.512 8.330 1.00 0.00 O ATOM 367 CB ASP A 111 -2.081 -8.676 8.339 1.00 0.00 C ATOM 368 CG ASP A 111 -1.781 -8.396 9.796 1.00 0.00 C ATOM 369 OD1 ASP A 111 -0.612 -8.103 10.124 1.00 0.00 O ATOM 370 OD2 ASP A 111 -2.707 -8.488 10.623 1.00 0.00 O ATOM 0 H ASP A 111 -2.622 -8.723 5.938 1.00 0.00 H new ATOM 0 HA ASP A 111 -3.158 -6.859 7.947 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -2.968 -9.306 8.268 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -1.255 -9.238 7.903 1.00 0.00 H new ATOM 375 N VAL A 112 -0.060 -6.879 6.824 1.00 0.00 N ATOM 376 CA VAL A 112 1.198 -6.150 6.773 1.00 0.00 C ATOM 377 C VAL A 112 0.999 -4.801 6.085 1.00 0.00 C ATOM 378 O VAL A 112 1.575 -3.787 6.485 1.00 0.00 O ATOM 379 CB VAL A 112 2.270 -6.952 6.004 1.00 0.00 C ATOM 380 CG1 VAL A 112 3.643 -6.337 6.192 1.00 0.00 C ATOM 381 CG2 VAL A 112 2.271 -8.415 6.430 1.00 0.00 C ATOM 0 H VAL A 112 -0.095 -7.690 6.206 1.00 0.00 H new ATOM 0 HA VAL A 112 1.535 -5.996 7.798 1.00 0.00 H new ATOM 0 HB VAL A 112 2.021 -6.911 4.944 1.00 0.00 H new ATOM 0 HG11 VAL A 112 4.381 -6.920 5.641 1.00 0.00 H new ATOM 0 HG12 VAL A 112 3.637 -5.313 5.819 1.00 0.00 H new ATOM 0 HG13 VAL A 112 3.899 -6.336 7.251 1.00 0.00 H new ATOM 0 HG21 VAL A 112 3.036 -8.956 5.872 1.00 0.00 H new ATOM 0 HG22 VAL A 112 2.484 -8.483 7.497 1.00 0.00 H new ATOM 0 HG23 VAL A 112 1.294 -8.854 6.226 1.00 0.00 H new ATOM 391 N MET A 113 0.160 -4.799 5.055 1.00 0.00 N ATOM 392 CA MET A 113 -0.123 -3.593 4.283 1.00 0.00 C ATOM 393 C MET A 113 -0.808 -2.543 5.143 1.00 0.00 C ATOM 394 O MET A 113 -0.528 -1.352 5.010 1.00 0.00 O ATOM 395 CB MET A 113 -0.994 -3.935 3.071 1.00 0.00 C ATOM 396 CG MET A 113 -1.298 -2.751 2.178 1.00 0.00 C ATOM 397 SD MET A 113 -2.354 -3.197 0.792 1.00 0.00 S ATOM 398 CE MET A 113 -2.291 -1.685 -0.154 1.00 0.00 C ATOM 0 H MET A 113 -0.341 -5.627 4.733 1.00 0.00 H new ATOM 0 HA MET A 113 0.824 -3.181 3.935 1.00 0.00 H new ATOM 0 HB2 MET A 113 -0.493 -4.703 2.481 1.00 0.00 H new ATOM 0 HB3 MET A 113 -1.933 -4.364 3.421 1.00 0.00 H new ATOM 0 HG2 MET A 113 -1.782 -1.971 2.765 1.00 0.00 H new ATOM 0 HG3 MET A 113 -0.364 -2.333 1.801 1.00 0.00 H new ATOM 0 HE1 MET A 113 -3.271 -1.487 -0.589 1.00 0.00 H new ATOM 0 HE2 MET A 113 -2.010 -0.859 0.499 1.00 0.00 H new ATOM 0 HE3 MET A 113 -1.554 -1.785 -0.950 1.00 0.00 H new ATOM 408 N ARG A 114 -1.686 -2.979 6.038 1.00 0.00 N ATOM 409 CA ARG A 114 -2.393 -2.055 6.917 1.00 0.00 C ATOM 410 C ARG A 114 -1.416 -1.275 7.799 1.00 0.00 C ATOM 411 O ARG A 114 -1.700 -0.150 8.207 1.00 0.00 O ATOM 412 CB ARG A 114 -3.422 -2.797 7.773 1.00 0.00 C ATOM 413 CG ARG A 114 -4.592 -3.343 6.967 1.00 0.00 C ATOM 414 CD ARG A 114 -5.652 -3.967 7.860 1.00 0.00 C ATOM 415 NE ARG A 114 -6.790 -4.489 7.097 1.00 0.00 N ATOM 416 CZ ARG A 114 -7.961 -4.835 7.646 1.00 0.00 C ATOM 417 NH1 ARG A 114 -8.167 -4.668 8.946 1.00 0.00 N ATOM 418 NH2 ARG A 114 -8.939 -5.328 6.893 1.00 0.00 N ATOM 0 H ARG A 114 -1.925 -3.961 6.174 1.00 0.00 H new ATOM 0 HA ARG A 114 -2.924 -1.339 6.290 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -2.929 -3.621 8.289 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -3.801 -2.122 8.540 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -5.037 -2.538 6.382 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -4.229 -4.088 6.259 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -5.205 -4.775 8.439 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -6.007 -3.222 8.573 1.00 0.00 H new ATOM 0 HE ARG A 114 -6.683 -4.595 6.088 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -7.431 -4.274 9.532 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -9.061 -4.933 9.359 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -8.800 -5.445 5.889 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -9.828 -5.589 7.319 1.00 0.00 H new ATOM 432 N GLU A 115 -0.258 -1.874 8.071 1.00 0.00 N ATOM 433 CA GLU A 115 0.802 -1.192 8.806 1.00 0.00 C ATOM 434 C GLU A 115 1.421 -0.102 7.937 1.00 0.00 C ATOM 435 O GLU A 115 1.581 1.039 8.371 1.00 0.00 O ATOM 436 CB GLU A 115 1.882 -2.184 9.239 1.00 0.00 C ATOM 437 CG GLU A 115 3.042 -1.539 9.982 1.00 0.00 C ATOM 438 CD GLU A 115 4.139 -2.522 10.322 1.00 0.00 C ATOM 439 OE1 GLU A 115 3.948 -3.328 11.255 1.00 0.00 O ATOM 440 OE2 GLU A 115 5.199 -2.497 9.657 1.00 0.00 O ATOM 0 H GLU A 115 -0.031 -2.829 7.793 1.00 0.00 H new ATOM 0 HA GLU A 115 0.367 -0.739 9.697 1.00 0.00 H new ATOM 0 HB2 GLU A 115 1.430 -2.943 9.877 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.267 -2.696 8.357 1.00 0.00 H new ATOM 0 HG2 GLU A 115 3.456 -0.736 9.373 1.00 0.00 H new ATOM 0 HG3 GLU A 115 2.671 -1.084 10.900 1.00 0.00 H new ATOM 447 N ILE A 116 1.747 -0.468 6.699 1.00 0.00 N ATOM 448 CA ILE A 116 2.359 0.453 5.746 1.00 0.00 C ATOM 449 C ILE A 116 1.526 1.722 5.613 1.00 0.00 C ATOM 450 O ILE A 116 2.041 2.833 5.734 1.00 0.00 O ATOM 451 CB ILE A 116 2.499 -0.191 4.351 1.00 0.00 C ATOM 452 CG1 ILE A 116 3.203 -1.546 4.452 1.00 0.00 C ATOM 453 CG2 ILE A 116 3.257 0.741 3.417 1.00 0.00 C ATOM 454 CD1 ILE A 116 3.313 -2.276 3.129 1.00 0.00 C ATOM 0 H ILE A 116 1.595 -1.407 6.330 1.00 0.00 H new ATOM 0 HA ILE A 116 3.350 0.697 6.129 1.00 0.00 H new ATOM 0 HB ILE A 116 1.503 -0.357 3.942 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.203 -1.396 4.858 1.00 0.00 H new ATOM 0 HG13 ILE A 116 2.662 -2.174 5.160 1.00 0.00 H new ATOM 0 HG21 ILE A 116 3.350 0.276 2.436 1.00 0.00 H new ATOM 0 HG22 ILE A 116 2.715 1.682 3.323 1.00 0.00 H new ATOM 0 HG23 ILE A 116 4.250 0.934 3.823 1.00 0.00 H new ATOM 0 HD11 ILE A 116 3.823 -3.227 3.280 1.00 0.00 H new ATOM 0 HD12 ILE A 116 2.315 -2.458 2.730 1.00 0.00 H new ATOM 0 HD13 ILE A 116 3.880 -1.668 2.424 1.00 0.00 H new ATOM 466 N LEU A 117 0.236 1.545 5.347 1.00 0.00 N ATOM 467 CA LEU A 117 -0.694 2.658 5.290 1.00 0.00 C ATOM 468 C LEU A 117 -0.659 3.503 6.565 1.00 0.00 C ATOM 469 O LEU A 117 -0.457 4.715 6.500 1.00 0.00 O ATOM 470 CB LEU A 117 -2.114 2.148 5.054 1.00 0.00 C ATOM 471 CG LEU A 117 -2.461 1.822 3.603 1.00 0.00 C ATOM 472 CD1 LEU A 117 -1.769 0.563 3.129 1.00 0.00 C ATOM 473 CD2 LEU A 117 -3.967 1.696 3.436 1.00 0.00 C ATOM 0 H LEU A 117 -0.187 0.635 5.167 1.00 0.00 H new ATOM 0 HA LEU A 117 -0.386 3.293 4.459 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -2.265 1.252 5.656 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -2.816 2.898 5.418 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.102 2.645 2.985 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -2.042 0.366 2.092 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -0.689 0.692 3.202 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -2.077 -0.277 3.751 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -4.200 1.464 2.397 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -4.339 0.898 4.078 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -4.444 2.636 3.713 1.00 0.00 H new ATOM 485 N ALA A 118 -0.827 2.854 7.716 1.00 0.00 N ATOM 486 CA ALA A 118 -0.964 3.556 8.995 1.00 0.00 C ATOM 487 C ALA A 118 0.276 4.380 9.338 1.00 0.00 C ATOM 488 O ALA A 118 0.213 5.302 10.146 1.00 0.00 O ATOM 489 CB ALA A 118 -1.255 2.562 10.108 1.00 0.00 C ATOM 0 H ALA A 118 -0.872 1.838 7.791 1.00 0.00 H new ATOM 0 HA ALA A 118 -1.799 4.250 8.897 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -1.355 3.094 11.054 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -2.182 2.033 9.890 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -0.436 1.846 10.179 1.00 0.00 H new ATOM 495 N GLU A 119 1.391 4.042 8.717 1.00 0.00 N ATOM 496 CA GLU A 119 2.657 4.723 8.960 1.00 0.00 C ATOM 497 C GLU A 119 2.680 6.119 8.322 1.00 0.00 C ATOM 498 O GLU A 119 3.489 6.968 8.698 1.00 0.00 O ATOM 499 CB GLU A 119 3.797 3.862 8.396 1.00 0.00 C ATOM 500 CG GLU A 119 5.196 4.428 8.603 1.00 0.00 C ATOM 501 CD GLU A 119 5.647 4.384 10.048 1.00 0.00 C ATOM 502 OE1 GLU A 119 6.013 3.294 10.533 1.00 0.00 O ATOM 503 OE2 GLU A 119 5.664 5.444 10.705 1.00 0.00 O ATOM 0 H GLU A 119 1.449 3.290 8.031 1.00 0.00 H new ATOM 0 HA GLU A 119 2.783 4.857 10.034 1.00 0.00 H new ATOM 0 HB2 GLU A 119 3.749 2.875 8.857 1.00 0.00 H new ATOM 0 HB3 GLU A 119 3.632 3.723 7.328 1.00 0.00 H new ATOM 0 HG2 GLU A 119 5.902 3.867 7.991 1.00 0.00 H new ATOM 0 HG3 GLU A 119 5.219 5.460 8.253 1.00 0.00 H new ATOM 510 N LEU A 120 1.777 6.368 7.376 1.00 0.00 N ATOM 511 CA LEU A 120 1.888 7.556 6.535 1.00 0.00 C ATOM 512 C LEU A 120 1.079 8.754 7.048 1.00 0.00 C ATOM 513 O LEU A 120 1.659 9.774 7.429 1.00 0.00 O ATOM 514 CB LEU A 120 1.461 7.209 5.099 1.00 0.00 C ATOM 515 CG LEU A 120 1.779 8.259 4.014 1.00 0.00 C ATOM 516 CD1 LEU A 120 0.826 9.452 4.084 1.00 0.00 C ATOM 517 CD2 LEU A 120 3.218 8.728 4.140 1.00 0.00 C ATOM 0 H LEU A 120 0.973 5.773 7.175 1.00 0.00 H new ATOM 0 HA LEU A 120 2.934 7.863 6.563 1.00 0.00 H new ATOM 0 HB2 LEU A 120 1.940 6.271 4.818 1.00 0.00 H new ATOM 0 HB3 LEU A 120 0.386 7.030 5.096 1.00 0.00 H new ATOM 0 HG LEU A 120 1.641 7.782 3.044 1.00 0.00 H new ATOM 0 HD11 LEU A 120 1.083 10.169 3.304 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -0.198 9.109 3.938 1.00 0.00 H new ATOM 0 HD13 LEU A 120 0.913 9.930 5.059 1.00 0.00 H new ATOM 0 HD21 LEU A 120 3.428 9.468 3.368 1.00 0.00 H new ATOM 0 HD22 LEU A 120 3.370 9.175 5.123 1.00 0.00 H new ATOM 0 HD23 LEU A 120 3.890 7.878 4.020 1.00 0.00 H new ATOM 529 N ASP A 121 -0.247 8.642 7.058 1.00 0.00 N ATOM 530 CA ASP A 121 -1.095 9.834 7.141 1.00 0.00 C ATOM 531 C ASP A 121 -1.373 10.257 8.577 1.00 0.00 C ATOM 532 O ASP A 121 -0.742 9.779 9.521 1.00 0.00 O ATOM 533 CB ASP A 121 -2.410 9.612 6.384 1.00 0.00 C ATOM 534 CG ASP A 121 -2.963 10.906 5.796 1.00 0.00 C ATOM 535 OD1 ASP A 121 -3.620 11.673 6.526 1.00 0.00 O ATOM 536 OD2 ASP A 121 -2.725 11.172 4.601 1.00 0.00 O ATOM 0 H ASP A 121 -0.752 7.757 7.011 1.00 0.00 H new ATOM 0 HA ASP A 121 -0.543 10.648 6.671 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -2.248 8.891 5.583 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -3.147 9.178 7.060 1.00 0.00 H new ATOM 541 N GLU A 122 -2.299 11.191 8.714 1.00 0.00 N ATOM 542 CA GLU A 122 -2.629 11.793 9.996 1.00 0.00 C ATOM 543 C GLU A 122 -4.022 12.439 9.973 1.00 0.00 C ATOM 544 O GLU A 122 -4.142 13.662 10.072 1.00 0.00 O ATOM 545 CB GLU A 122 -1.578 12.852 10.340 1.00 0.00 C ATOM 546 CG GLU A 122 -1.248 13.765 9.164 1.00 0.00 C ATOM 547 CD GLU A 122 -0.384 14.946 9.544 1.00 0.00 C ATOM 548 OE1 GLU A 122 0.796 14.741 9.893 1.00 0.00 O ATOM 549 OE2 GLU A 122 -0.878 16.092 9.488 1.00 0.00 O ATOM 0 H GLU A 122 -2.847 11.556 7.934 1.00 0.00 H new ATOM 0 HA GLU A 122 -2.636 11.008 10.752 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -1.938 13.456 11.173 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -0.667 12.357 10.676 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -0.739 13.184 8.395 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -2.177 14.130 8.725 1.00 0.00 H new ATOM 556 N THR A 123 -5.077 11.636 9.859 1.00 0.00 N ATOM 557 CA THR A 123 -6.433 12.194 9.799 1.00 0.00 C ATOM 558 C THR A 123 -7.533 11.125 9.752 1.00 0.00 C ATOM 559 O THR A 123 -8.717 11.449 9.882 1.00 0.00 O ATOM 560 CB THR A 123 -6.604 13.127 8.577 1.00 0.00 C ATOM 561 OG1 THR A 123 -7.846 13.838 8.668 1.00 0.00 O ATOM 562 CG2 THR A 123 -6.581 12.331 7.288 1.00 0.00 C ATOM 0 H THR A 123 -5.027 10.619 9.807 1.00 0.00 H new ATOM 0 HA THR A 123 -6.548 12.757 10.725 1.00 0.00 H new ATOM 0 HB THR A 123 -5.775 13.835 8.574 1.00 0.00 H new ATOM 0 HG1 THR A 123 -8.523 13.262 9.081 1.00 0.00 H new ATOM 0 HG21 THR A 123 -6.703 13.006 6.441 1.00 0.00 H new ATOM 0 HG22 THR A 123 -5.629 11.807 7.201 1.00 0.00 H new ATOM 0 HG23 THR A 123 -7.395 11.606 7.294 1.00 0.00 H new ATOM 570 N LEU A 124 -7.169 9.867 9.575 1.00 0.00 N ATOM 571 CA LEU A 124 -8.170 8.827 9.387 1.00 0.00 C ATOM 572 C LEU A 124 -7.892 7.655 10.311 1.00 0.00 C ATOM 573 O LEU A 124 -6.789 7.523 10.836 1.00 0.00 O ATOM 574 CB LEU A 124 -8.218 8.396 7.917 1.00 0.00 C ATOM 575 CG LEU A 124 -6.950 7.752 7.362 1.00 0.00 C ATOM 576 CD1 LEU A 124 -7.059 6.241 7.424 1.00 0.00 C ATOM 577 CD2 LEU A 124 -6.697 8.217 5.939 1.00 0.00 C ATOM 0 H LEU A 124 -6.202 9.542 9.557 1.00 0.00 H new ATOM 0 HA LEU A 124 -9.152 9.223 9.646 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -9.042 7.693 7.793 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -8.451 9.271 7.311 1.00 0.00 H new ATOM 0 HG LEU A 124 -6.103 8.061 7.975 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -6.148 5.794 7.025 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -7.194 5.928 8.459 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -7.913 5.913 6.832 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -5.789 7.748 5.559 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -7.541 7.937 5.309 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -6.579 9.300 5.926 1.00 0.00 H new ATOM 589 N SER A 125 -8.895 6.819 10.529 1.00 0.00 N ATOM 590 CA SER A 125 -8.791 5.772 11.526 1.00 0.00 C ATOM 591 C SER A 125 -8.705 4.392 10.885 1.00 0.00 C ATOM 592 O SER A 125 -8.844 4.255 9.667 1.00 0.00 O ATOM 593 CB SER A 125 -9.982 5.849 12.480 1.00 0.00 C ATOM 594 OG SER A 125 -10.039 7.121 13.106 1.00 0.00 O ATOM 0 H SER A 125 -9.785 6.847 10.031 1.00 0.00 H new ATOM 0 HA SER A 125 -7.869 5.926 12.087 1.00 0.00 H new ATOM 0 HB2 SER A 125 -10.906 5.666 11.932 1.00 0.00 H new ATOM 0 HB3 SER A 125 -9.900 5.069 13.237 1.00 0.00 H new ATOM 0 HG SER A 125 -10.809 7.153 13.712 1.00 0.00 H new ATOM 600 N SER A 126 -8.500 3.371 11.702 1.00 0.00 N ATOM 601 CA SER A 126 -8.314 2.018 11.206 1.00 0.00 C ATOM 602 C SER A 126 -9.536 1.530 10.420 1.00 0.00 C ATOM 603 O SER A 126 -9.403 0.731 9.492 1.00 0.00 O ATOM 604 CB SER A 126 -8.002 1.083 12.372 1.00 0.00 C ATOM 605 OG SER A 126 -6.848 1.528 13.076 1.00 0.00 O ATOM 0 H SER A 126 -8.458 3.456 12.718 1.00 0.00 H new ATOM 0 HA SER A 126 -7.472 2.018 10.514 1.00 0.00 H new ATOM 0 HB2 SER A 126 -8.855 1.041 13.050 1.00 0.00 H new ATOM 0 HB3 SER A 126 -7.840 0.071 12.001 1.00 0.00 H new ATOM 0 HG SER A 126 -6.664 0.918 13.821 1.00 0.00 H new ATOM 611 N GLU A 127 -10.716 2.043 10.761 1.00 0.00 N ATOM 612 CA GLU A 127 -11.942 1.667 10.062 1.00 0.00 C ATOM 613 C GLU A 127 -11.912 2.106 8.597 1.00 0.00 C ATOM 614 O GLU A 127 -12.595 1.522 7.753 1.00 0.00 O ATOM 615 CB GLU A 127 -13.169 2.255 10.753 1.00 0.00 C ATOM 616 CG GLU A 127 -13.344 1.787 12.186 1.00 0.00 C ATOM 617 CD GLU A 127 -14.672 2.209 12.768 1.00 0.00 C ATOM 618 OE1 GLU A 127 -14.812 3.388 13.146 1.00 0.00 O ATOM 619 OE2 GLU A 127 -15.586 1.358 12.850 1.00 0.00 O ATOM 0 H GLU A 127 -10.849 2.718 11.514 1.00 0.00 H new ATOM 0 HA GLU A 127 -12.006 0.579 10.093 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -13.095 3.342 10.742 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -14.059 1.990 10.182 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -13.262 0.701 12.224 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -12.537 2.189 12.798 1.00 0.00 H new ATOM 626 N ASP A 128 -11.118 3.129 8.294 1.00 0.00 N ATOM 627 CA ASP A 128 -10.935 3.564 6.913 1.00 0.00 C ATOM 628 C ASP A 128 -10.171 2.497 6.143 1.00 0.00 C ATOM 629 O ASP A 128 -10.546 2.116 5.036 1.00 0.00 O ATOM 630 CB ASP A 128 -10.183 4.898 6.847 1.00 0.00 C ATOM 631 CG ASP A 128 -10.987 6.061 7.393 1.00 0.00 C ATOM 632 OD1 ASP A 128 -10.942 6.301 8.620 1.00 0.00 O ATOM 633 OD2 ASP A 128 -11.663 6.747 6.600 1.00 0.00 O ATOM 0 H ASP A 128 -10.594 3.670 8.982 1.00 0.00 H new ATOM 0 HA ASP A 128 -11.917 3.710 6.463 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -9.253 4.812 7.408 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -9.913 5.105 5.812 1.00 0.00 H new ATOM 638 N LEU A 129 -9.095 2.010 6.752 1.00 0.00 N ATOM 639 CA LEU A 129 -8.339 0.899 6.201 1.00 0.00 C ATOM 640 C LEU A 129 -9.212 -0.341 6.120 1.00 0.00 C ATOM 641 O LEU A 129 -9.109 -1.116 5.179 1.00 0.00 O ATOM 642 CB LEU A 129 -7.105 0.587 7.047 1.00 0.00 C ATOM 643 CG LEU A 129 -6.097 1.724 7.163 1.00 0.00 C ATOM 644 CD1 LEU A 129 -6.380 2.579 8.376 1.00 0.00 C ATOM 645 CD2 LEU A 129 -4.680 1.183 7.208 1.00 0.00 C ATOM 0 H LEU A 129 -8.728 2.372 7.632 1.00 0.00 H new ATOM 0 HA LEU A 129 -8.012 1.189 5.203 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -7.431 0.308 8.049 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -6.602 -0.282 6.622 1.00 0.00 H new ATOM 0 HG LEU A 129 -6.197 2.352 6.278 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -5.646 3.382 8.434 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -7.380 3.006 8.295 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -6.319 1.966 9.275 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -3.977 2.012 7.291 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -4.569 0.525 8.070 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -4.475 0.623 6.295 1.00 0.00 H new ATOM 657 N ASP A 130 -10.069 -0.506 7.118 1.00 0.00 N ATOM 658 CA ASP A 130 -10.985 -1.641 7.187 1.00 0.00 C ATOM 659 C ASP A 130 -11.893 -1.680 5.960 1.00 0.00 C ATOM 660 O ASP A 130 -12.186 -2.748 5.426 1.00 0.00 O ATOM 661 CB ASP A 130 -11.827 -1.533 8.459 1.00 0.00 C ATOM 662 CG ASP A 130 -12.685 -2.752 8.709 1.00 0.00 C ATOM 663 OD1 ASP A 130 -13.818 -2.812 8.194 1.00 0.00 O ATOM 664 OD2 ASP A 130 -12.237 -3.655 9.446 1.00 0.00 O ATOM 0 H ASP A 130 -10.151 0.141 7.902 1.00 0.00 H new ATOM 0 HA ASP A 130 -10.404 -2.563 7.208 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -11.167 -1.380 9.313 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -12.467 -0.654 8.390 1.00 0.00 H new ATOM 669 N ALA A 131 -12.318 -0.504 5.509 1.00 0.00 N ATOM 670 CA ALA A 131 -13.187 -0.397 4.345 1.00 0.00 C ATOM 671 C ALA A 131 -12.418 -0.652 3.051 1.00 0.00 C ATOM 672 O ALA A 131 -12.933 -1.273 2.120 1.00 0.00 O ATOM 673 CB ALA A 131 -13.843 0.976 4.300 1.00 0.00 C ATOM 0 H ALA A 131 -12.073 0.390 5.934 1.00 0.00 H new ATOM 0 HA ALA A 131 -13.960 -1.160 4.435 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -14.490 1.042 3.425 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -14.437 1.125 5.202 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -13.073 1.745 4.241 1.00 0.00 H new ATOM 679 N MET A 132 -11.185 -0.157 2.994 1.00 0.00 N ATOM 680 CA MET A 132 -10.350 -0.318 1.807 1.00 0.00 C ATOM 681 C MET A 132 -9.800 -1.738 1.709 1.00 0.00 C ATOM 682 O MET A 132 -10.005 -2.426 0.711 1.00 0.00 O ATOM 683 CB MET A 132 -9.194 0.688 1.815 1.00 0.00 C ATOM 684 CG MET A 132 -9.625 2.122 1.548 1.00 0.00 C ATOM 685 SD MET A 132 -8.237 3.275 1.554 1.00 0.00 S ATOM 686 CE MET A 132 -7.699 3.138 3.257 1.00 0.00 C ATOM 0 H MET A 132 -10.742 0.358 3.755 1.00 0.00 H new ATOM 0 HA MET A 132 -10.977 -0.129 0.936 1.00 0.00 H new ATOM 0 HB2 MET A 132 -8.693 0.643 2.782 1.00 0.00 H new ATOM 0 HB3 MET A 132 -8.463 0.392 1.063 1.00 0.00 H new ATOM 0 HG2 MET A 132 -10.130 2.172 0.584 1.00 0.00 H new ATOM 0 HG3 MET A 132 -10.349 2.427 2.304 1.00 0.00 H new ATOM 0 HE1 MET A 132 -7.091 4.005 3.517 1.00 0.00 H new ATOM 0 HE2 MET A 132 -8.570 3.096 3.911 1.00 0.00 H new ATOM 0 HE3 MET A 132 -7.108 2.230 3.380 1.00 0.00 H new ATOM 696 N ILE A 133 -9.127 -2.179 2.765 1.00 0.00 N ATOM 697 CA ILE A 133 -8.499 -3.493 2.790 1.00 0.00 C ATOM 698 C ILE A 133 -9.551 -4.567 3.065 1.00 0.00 C ATOM 699 O ILE A 133 -9.541 -5.232 4.107 1.00 0.00 O ATOM 700 CB ILE A 133 -7.401 -3.573 3.875 1.00 0.00 C ATOM 701 CG1 ILE A 133 -6.469 -2.358 3.810 1.00 0.00 C ATOM 702 CG2 ILE A 133 -6.598 -4.859 3.727 1.00 0.00 C ATOM 703 CD1 ILE A 133 -5.601 -2.309 2.575 1.00 0.00 C ATOM 0 H ILE A 133 -9.002 -1.640 3.622 1.00 0.00 H new ATOM 0 HA ILE A 133 -8.038 -3.659 1.816 1.00 0.00 H new ATOM 0 HB ILE A 133 -7.892 -3.573 4.848 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -7.070 -1.450 3.854 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -5.828 -2.359 4.691 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -5.829 -4.899 4.499 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -7.262 -5.717 3.832 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -6.127 -4.883 2.744 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -4.972 -1.419 2.607 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -4.971 -3.198 2.538 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -6.233 -2.275 1.687 1.00 0.00 H new ATOM 715 N ASP A 134 -10.468 -4.698 2.132 1.00 0.00 N ATOM 716 CA ASP A 134 -11.553 -5.659 2.225 1.00 0.00 C ATOM 717 C ASP A 134 -11.979 -6.076 0.827 1.00 0.00 C ATOM 718 O ASP A 134 -12.163 -7.260 0.537 1.00 0.00 O ATOM 719 CB ASP A 134 -12.737 -5.042 2.976 1.00 0.00 C ATOM 720 CG ASP A 134 -13.936 -5.963 3.040 1.00 0.00 C ATOM 721 OD1 ASP A 134 -13.938 -6.891 3.877 1.00 0.00 O ATOM 722 OD2 ASP A 134 -14.887 -5.769 2.256 1.00 0.00 O ATOM 0 H ASP A 134 -10.485 -4.138 1.280 1.00 0.00 H new ATOM 0 HA ASP A 134 -11.213 -6.537 2.774 1.00 0.00 H new ATOM 0 HB2 ASP A 134 -12.426 -4.788 3.989 1.00 0.00 H new ATOM 0 HB3 ASP A 134 -13.025 -4.111 2.488 1.00 0.00 H new ATOM 727 N GLU A 135 -12.124 -5.085 -0.040 1.00 0.00 N ATOM 728 CA GLU A 135 -12.500 -5.322 -1.426 1.00 0.00 C ATOM 729 C GLU A 135 -11.307 -5.106 -2.349 1.00 0.00 C ATOM 730 O GLU A 135 -11.364 -5.403 -3.541 1.00 0.00 O ATOM 731 CB GLU A 135 -13.638 -4.383 -1.815 1.00 0.00 C ATOM 732 CG GLU A 135 -14.889 -4.573 -0.983 1.00 0.00 C ATOM 733 CD GLU A 135 -15.892 -3.462 -1.180 1.00 0.00 C ATOM 734 OE1 GLU A 135 -16.582 -3.455 -2.221 1.00 0.00 O ATOM 735 OE2 GLU A 135 -16.001 -2.593 -0.295 1.00 0.00 O ATOM 0 H GLU A 135 -11.986 -4.102 0.194 1.00 0.00 H new ATOM 0 HA GLU A 135 -12.832 -6.355 -1.529 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -13.298 -3.352 -1.715 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -13.883 -4.538 -2.866 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -15.352 -5.525 -1.242 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -14.615 -4.628 0.071 1.00 0.00 H new ATOM 742 N ILE A 136 -10.225 -4.597 -1.776 1.00 0.00 N ATOM 743 CA ILE A 136 -9.031 -4.262 -2.533 1.00 0.00 C ATOM 744 C ILE A 136 -8.148 -5.501 -2.699 1.00 0.00 C ATOM 745 O ILE A 136 -7.423 -5.651 -3.680 1.00 0.00 O ATOM 746 CB ILE A 136 -8.248 -3.121 -1.813 1.00 0.00 C ATOM 747 CG1 ILE A 136 -7.345 -2.345 -2.781 1.00 0.00 C ATOM 748 CG2 ILE A 136 -7.432 -3.658 -0.644 1.00 0.00 C ATOM 749 CD1 ILE A 136 -6.047 -3.035 -3.150 1.00 0.00 C ATOM 0 H ILE A 136 -10.152 -4.406 -0.777 1.00 0.00 H new ATOM 0 HA ILE A 136 -9.322 -3.912 -3.523 1.00 0.00 H new ATOM 0 HB ILE A 136 -8.994 -2.428 -1.423 1.00 0.00 H new ATOM 0 HG12 ILE A 136 -7.905 -2.148 -3.695 1.00 0.00 H new ATOM 0 HG13 ILE A 136 -7.110 -1.378 -2.336 1.00 0.00 H new ATOM 0 HG21 ILE A 136 -6.899 -2.837 -0.165 1.00 0.00 H new ATOM 0 HG22 ILE A 136 -8.098 -4.129 0.079 1.00 0.00 H new ATOM 0 HG23 ILE A 136 -6.714 -4.393 -1.008 1.00 0.00 H new ATOM 0 HD11 ILE A 136 -5.483 -2.405 -3.837 1.00 0.00 H new ATOM 0 HD12 ILE A 136 -5.458 -3.208 -2.249 1.00 0.00 H new ATOM 0 HD13 ILE A 136 -6.266 -3.989 -3.629 1.00 0.00 H new ATOM 761 N ASP A 137 -8.264 -6.409 -1.747 1.00 0.00 N ATOM 762 CA ASP A 137 -7.357 -7.537 -1.640 1.00 0.00 C ATOM 763 C ASP A 137 -8.050 -8.850 -1.937 1.00 0.00 C ATOM 764 O ASP A 137 -7.534 -9.926 -1.621 1.00 0.00 O ATOM 765 CB ASP A 137 -6.772 -7.565 -0.238 1.00 0.00 C ATOM 766 CG ASP A 137 -7.831 -7.734 0.840 1.00 0.00 C ATOM 767 OD1 ASP A 137 -8.848 -7.009 0.799 1.00 0.00 O ATOM 768 OD2 ASP A 137 -7.647 -8.585 1.735 1.00 0.00 O ATOM 0 H ASP A 137 -8.987 -6.386 -1.028 1.00 0.00 H new ATOM 0 HA ASP A 137 -6.566 -7.414 -2.380 1.00 0.00 H new ATOM 0 HB2 ASP A 137 -6.053 -8.381 -0.166 1.00 0.00 H new ATOM 0 HB3 ASP A 137 -6.223 -6.640 -0.060 1.00 0.00 H new ATOM 773 N ALA A 138 -9.197 -8.768 -2.578 1.00 0.00 N ATOM 774 CA ALA A 138 -9.969 -9.953 -2.912 1.00 0.00 C ATOM 775 C ALA A 138 -9.423 -10.606 -4.180 1.00 0.00 C ATOM 776 O ALA A 138 -10.182 -11.049 -5.040 1.00 0.00 O ATOM 777 CB ALA A 138 -11.437 -9.594 -3.074 1.00 0.00 C ATOM 0 H ALA A 138 -9.619 -7.890 -2.881 1.00 0.00 H new ATOM 0 HA ALA A 138 -9.880 -10.672 -2.098 1.00 0.00 H new ATOM 0 HB1 ALA A 138 -12.005 -10.490 -3.324 1.00 0.00 H new ATOM 0 HB2 ALA A 138 -11.814 -9.174 -2.142 1.00 0.00 H new ATOM 0 HB3 ALA A 138 -11.546 -8.860 -3.873 1.00 0.00 H new ATOM 783 N ASP A 139 -8.099 -10.659 -4.287 1.00 0.00 N ATOM 784 CA ASP A 139 -7.453 -11.204 -5.476 1.00 0.00 C ATOM 785 C ASP A 139 -6.841 -12.566 -5.193 1.00 0.00 C ATOM 786 O ASP A 139 -6.480 -13.298 -6.115 1.00 0.00 O ATOM 787 CB ASP A 139 -6.384 -10.242 -5.996 1.00 0.00 C ATOM 788 CG ASP A 139 -6.984 -9.070 -6.743 1.00 0.00 C ATOM 789 OD1 ASP A 139 -7.394 -8.082 -6.093 1.00 0.00 O ATOM 790 OD2 ASP A 139 -7.060 -9.131 -7.988 1.00 0.00 O ATOM 0 H ASP A 139 -7.454 -10.332 -3.567 1.00 0.00 H new ATOM 0 HA ASP A 139 -8.217 -11.328 -6.243 1.00 0.00 H new ATOM 0 HB2 ASP A 139 -5.792 -9.872 -5.159 1.00 0.00 H new ATOM 0 HB3 ASP A 139 -5.703 -10.780 -6.655 1.00 0.00 H new ATOM 795 N GLY A 140 -6.732 -12.903 -3.920 1.00 0.00 N ATOM 796 CA GLY A 140 -6.183 -14.189 -3.544 1.00 0.00 C ATOM 797 C GLY A 140 -6.100 -14.341 -2.046 1.00 0.00 C ATOM 798 O GLY A 140 -5.029 -14.604 -1.499 1.00 0.00 O ATOM 0 H GLY A 140 -7.013 -12.310 -3.139 1.00 0.00 H new ATOM 0 HA2 GLY A 140 -6.803 -14.985 -3.957 1.00 0.00 H new ATOM 0 HA3 GLY A 140 -5.189 -14.302 -3.977 1.00 0.00 H new ATOM 802 N SER A 141 -7.241 -14.161 -1.387 1.00 0.00 N ATOM 803 CA SER A 141 -7.328 -14.226 0.064 1.00 0.00 C ATOM 804 C SER A 141 -6.343 -13.257 0.714 1.00 0.00 C ATOM 805 O SER A 141 -5.392 -13.666 1.385 1.00 0.00 O ATOM 806 CB SER A 141 -7.083 -15.658 0.544 1.00 0.00 C ATOM 807 OG SER A 141 -7.979 -16.561 -0.091 1.00 0.00 O ATOM 0 H SER A 141 -8.131 -13.966 -1.846 1.00 0.00 H new ATOM 0 HA SER A 141 -8.333 -13.928 0.363 1.00 0.00 H new ATOM 0 HB2 SER A 141 -6.054 -15.948 0.330 1.00 0.00 H new ATOM 0 HB3 SER A 141 -7.211 -15.711 1.625 1.00 0.00 H new ATOM 0 HG SER A 141 -7.806 -17.472 0.227 1.00 0.00 H new ATOM 813 N GLY A 142 -6.572 -11.971 0.487 1.00 0.00 N ATOM 814 CA GLY A 142 -5.750 -10.948 1.089 1.00 0.00 C ATOM 815 C GLY A 142 -4.381 -10.825 0.456 1.00 0.00 C ATOM 816 O GLY A 142 -3.373 -11.144 1.085 1.00 0.00 O ATOM 0 H GLY A 142 -7.321 -11.619 -0.110 1.00 0.00 H new ATOM 0 HA2 GLY A 142 -6.264 -9.990 1.014 1.00 0.00 H new ATOM 0 HA3 GLY A 142 -5.633 -11.165 2.151 1.00 0.00 H new ATOM 820 N THR A 143 -4.332 -10.367 -0.791 1.00 0.00 N ATOM 821 CA THR A 143 -3.062 -10.078 -1.430 1.00 0.00 C ATOM 822 C THR A 143 -3.188 -8.840 -2.294 1.00 0.00 C ATOM 823 O THR A 143 -4.131 -8.703 -3.077 1.00 0.00 O ATOM 824 CB THR A 143 -2.530 -11.262 -2.275 1.00 0.00 C ATOM 825 OG1 THR A 143 -1.441 -10.830 -3.090 1.00 0.00 O ATOM 826 CG2 THR A 143 -3.619 -11.855 -3.156 1.00 0.00 C ATOM 0 H THR A 143 -5.152 -10.191 -1.371 1.00 0.00 H new ATOM 0 HA THR A 143 -2.337 -9.905 -0.634 1.00 0.00 H new ATOM 0 HB THR A 143 -2.192 -12.035 -1.585 1.00 0.00 H new ATOM 0 HG1 THR A 143 -1.783 -10.516 -3.953 1.00 0.00 H new ATOM 0 HG21 THR A 143 -3.209 -12.683 -3.734 1.00 0.00 H new ATOM 0 HG22 THR A 143 -4.435 -12.218 -2.531 1.00 0.00 H new ATOM 0 HG23 THR A 143 -3.995 -11.090 -3.835 1.00 0.00 H new ATOM 834 N VAL A 144 -2.259 -7.921 -2.108 1.00 0.00 N ATOM 835 CA VAL A 144 -2.207 -6.719 -2.911 1.00 0.00 C ATOM 836 C VAL A 144 -0.825 -6.593 -3.540 1.00 0.00 C ATOM 837 O VAL A 144 0.187 -6.695 -2.846 1.00 0.00 O ATOM 838 CB VAL A 144 -2.503 -5.455 -2.075 1.00 0.00 C ATOM 839 CG1 VAL A 144 -2.407 -4.204 -2.935 1.00 0.00 C ATOM 840 CG2 VAL A 144 -3.873 -5.546 -1.423 1.00 0.00 C ATOM 0 H VAL A 144 -1.526 -7.987 -1.402 1.00 0.00 H new ATOM 0 HA VAL A 144 -2.973 -6.798 -3.682 1.00 0.00 H new ATOM 0 HB VAL A 144 -1.752 -5.390 -1.288 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -2.619 -3.326 -2.325 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -1.402 -4.124 -3.349 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -3.131 -4.265 -3.748 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -4.059 -4.644 -0.840 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -4.637 -5.643 -2.194 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -3.907 -6.416 -0.767 1.00 0.00 H new ATOM 850 N ASP A 145 -0.780 -6.393 -4.846 1.00 0.00 N ATOM 851 CA ASP A 145 0.490 -6.264 -5.541 1.00 0.00 C ATOM 852 C ASP A 145 0.726 -4.820 -5.982 1.00 0.00 C ATOM 853 O ASP A 145 0.057 -3.894 -5.511 1.00 0.00 O ATOM 854 CB ASP A 145 0.556 -7.221 -6.742 1.00 0.00 C ATOM 855 CG ASP A 145 -0.402 -6.856 -7.860 1.00 0.00 C ATOM 856 OD1 ASP A 145 -1.628 -6.881 -7.639 1.00 0.00 O ATOM 857 OD2 ASP A 145 0.077 -6.558 -8.976 1.00 0.00 O ATOM 0 H ASP A 145 -1.603 -6.317 -5.444 1.00 0.00 H new ATOM 0 HA ASP A 145 1.284 -6.538 -4.846 1.00 0.00 H new ATOM 0 HB2 ASP A 145 1.573 -7.230 -7.134 1.00 0.00 H new ATOM 0 HB3 ASP A 145 0.337 -8.233 -6.402 1.00 0.00 H new ATOM 862 N PHE A 146 1.691 -4.635 -6.877 1.00 0.00 N ATOM 863 CA PHE A 146 2.090 -3.308 -7.336 1.00 0.00 C ATOM 864 C PHE A 146 0.955 -2.579 -8.054 1.00 0.00 C ATOM 865 O PHE A 146 -0.066 -3.182 -8.395 1.00 0.00 O ATOM 866 CB PHE A 146 3.319 -3.421 -8.243 1.00 0.00 C ATOM 867 CG PHE A 146 3.263 -4.556 -9.231 1.00 0.00 C ATOM 868 CD1 PHE A 146 2.598 -4.415 -10.438 1.00 0.00 C ATOM 869 CD2 PHE A 146 3.882 -5.765 -8.950 1.00 0.00 C ATOM 870 CE1 PHE A 146 2.551 -5.455 -11.346 1.00 0.00 C ATOM 871 CE2 PHE A 146 3.840 -6.808 -9.855 1.00 0.00 C ATOM 872 CZ PHE A 146 3.173 -6.653 -11.053 1.00 0.00 C ATOM 0 H PHE A 146 2.217 -5.397 -7.304 1.00 0.00 H new ATOM 0 HA PHE A 146 2.341 -2.714 -6.457 1.00 0.00 H new ATOM 0 HB2 PHE A 146 3.439 -2.486 -8.790 1.00 0.00 H new ATOM 0 HB3 PHE A 146 4.205 -3.542 -7.620 1.00 0.00 H new ATOM 0 HD1 PHE A 146 2.110 -3.480 -10.672 1.00 0.00 H new ATOM 0 HD2 PHE A 146 4.403 -5.893 -8.013 1.00 0.00 H new ATOM 0 HE1 PHE A 146 2.029 -5.332 -12.283 1.00 0.00 H new ATOM 0 HE2 PHE A 146 4.329 -7.743 -9.625 1.00 0.00 H new ATOM 0 HZ PHE A 146 3.137 -7.468 -11.761 1.00 0.00 H new ATOM 882 N GLU A 147 1.140 -1.272 -8.256 1.00 0.00 N ATOM 883 CA GLU A 147 0.140 -0.404 -8.891 1.00 0.00 C ATOM 884 C GLU A 147 -1.042 -0.146 -7.960 1.00 0.00 C ATOM 885 O GLU A 147 -1.417 1.005 -7.731 1.00 0.00 O ATOM 886 CB GLU A 147 -0.320 -0.974 -10.238 1.00 0.00 C ATOM 887 CG GLU A 147 0.484 -0.458 -11.425 1.00 0.00 C ATOM 888 CD GLU A 147 1.984 -0.475 -11.194 1.00 0.00 C ATOM 889 OE1 GLU A 147 2.511 0.497 -10.619 1.00 0.00 O ATOM 890 OE2 GLU A 147 2.646 -1.448 -11.597 1.00 0.00 O ATOM 0 H GLU A 147 1.992 -0.782 -7.983 1.00 0.00 H new ATOM 0 HA GLU A 147 0.616 0.556 -9.089 1.00 0.00 H new ATOM 0 HB2 GLU A 147 -0.249 -2.061 -10.206 1.00 0.00 H new ATOM 0 HB3 GLU A 147 -1.371 -0.728 -10.387 1.00 0.00 H new ATOM 0 HG2 GLU A 147 0.253 -1.064 -12.301 1.00 0.00 H new ATOM 0 HG3 GLU A 147 0.171 0.561 -11.650 1.00 0.00 H new ATOM 897 N GLU A 148 -1.619 -1.209 -7.415 1.00 0.00 N ATOM 898 CA GLU A 148 -2.650 -1.080 -6.393 1.00 0.00 C ATOM 899 C GLU A 148 -2.031 -0.492 -5.132 1.00 0.00 C ATOM 900 O GLU A 148 -2.647 0.311 -4.424 1.00 0.00 O ATOM 901 CB GLU A 148 -3.275 -2.444 -6.092 1.00 0.00 C ATOM 902 CG GLU A 148 -4.026 -3.051 -7.265 1.00 0.00 C ATOM 903 CD GLU A 148 -5.199 -2.204 -7.711 1.00 0.00 C ATOM 904 OE1 GLU A 148 -6.265 -2.256 -7.058 1.00 0.00 O ATOM 905 OE2 GLU A 148 -5.063 -1.471 -8.713 1.00 0.00 O ATOM 0 H GLU A 148 -1.390 -2.171 -7.664 1.00 0.00 H new ATOM 0 HA GLU A 148 -3.437 -0.418 -6.754 1.00 0.00 H new ATOM 0 HB2 GLU A 148 -2.489 -3.132 -5.782 1.00 0.00 H new ATOM 0 HB3 GLU A 148 -3.959 -2.341 -5.250 1.00 0.00 H new ATOM 0 HG2 GLU A 148 -3.340 -3.182 -8.101 1.00 0.00 H new ATOM 0 HG3 GLU A 148 -4.384 -4.042 -6.988 1.00 0.00 H new ATOM 912 N PHE A 149 -0.792 -0.893 -4.869 1.00 0.00 N ATOM 913 CA PHE A 149 -0.023 -0.356 -3.760 1.00 0.00 C ATOM 914 C PHE A 149 0.464 1.058 -4.080 1.00 0.00 C ATOM 915 O PHE A 149 1.621 1.268 -4.443 1.00 0.00 O ATOM 916 CB PHE A 149 1.162 -1.282 -3.443 1.00 0.00 C ATOM 917 CG PHE A 149 2.019 -0.810 -2.298 1.00 0.00 C ATOM 918 CD1 PHE A 149 1.574 -0.911 -0.991 1.00 0.00 C ATOM 919 CD2 PHE A 149 3.273 -0.266 -2.534 1.00 0.00 C ATOM 920 CE1 PHE A 149 2.360 -0.477 0.060 1.00 0.00 C ATOM 921 CE2 PHE A 149 4.064 0.170 -1.489 1.00 0.00 C ATOM 922 CZ PHE A 149 3.608 0.063 -0.192 1.00 0.00 C ATOM 0 H PHE A 149 -0.297 -1.596 -5.418 1.00 0.00 H new ATOM 0 HA PHE A 149 -0.665 -0.301 -2.881 1.00 0.00 H new ATOM 0 HB2 PHE A 149 0.781 -2.277 -3.212 1.00 0.00 H new ATOM 0 HB3 PHE A 149 1.784 -1.377 -4.333 1.00 0.00 H new ATOM 0 HD1 PHE A 149 0.601 -1.334 -0.790 1.00 0.00 H new ATOM 0 HD2 PHE A 149 3.636 -0.182 -3.548 1.00 0.00 H new ATOM 0 HE1 PHE A 149 2.001 -0.559 1.075 1.00 0.00 H new ATOM 0 HE2 PHE A 149 5.037 0.594 -1.687 1.00 0.00 H new ATOM 0 HZ PHE A 149 4.226 0.401 0.627 1.00 0.00 H new ATOM 932 N MET A 150 -0.451 2.015 -4.001 1.00 0.00 N ATOM 933 CA MET A 150 -0.112 3.429 -4.099 1.00 0.00 C ATOM 934 C MET A 150 -1.335 4.278 -3.786 1.00 0.00 C ATOM 935 O MET A 150 -1.283 5.159 -2.936 1.00 0.00 O ATOM 936 CB MET A 150 0.427 3.798 -5.484 1.00 0.00 C ATOM 937 CG MET A 150 1.087 5.166 -5.504 1.00 0.00 C ATOM 938 SD MET A 150 1.680 5.644 -7.137 1.00 0.00 S ATOM 939 CE MET A 150 2.598 7.129 -6.723 1.00 0.00 C ATOM 0 H MET A 150 -1.446 1.834 -3.868 1.00 0.00 H new ATOM 0 HA MET A 150 0.676 3.626 -3.372 1.00 0.00 H new ATOM 0 HB2 MET A 150 1.148 3.045 -5.802 1.00 0.00 H new ATOM 0 HB3 MET A 150 -0.390 3.782 -6.205 1.00 0.00 H new ATOM 0 HG2 MET A 150 0.374 5.911 -5.151 1.00 0.00 H new ATOM 0 HG3 MET A 150 1.924 5.169 -4.805 1.00 0.00 H new ATOM 0 HE1 MET A 150 3.032 7.553 -7.629 1.00 0.00 H new ATOM 0 HE2 MET A 150 1.926 7.857 -6.268 1.00 0.00 H new ATOM 0 HE3 MET A 150 3.394 6.881 -6.021 1.00 0.00 H new ATOM 949 N GLY A 151 -2.436 3.993 -4.476 1.00 0.00 N ATOM 950 CA GLY A 151 -3.680 4.697 -4.216 1.00 0.00 C ATOM 951 C GLY A 151 -4.244 4.345 -2.856 1.00 0.00 C ATOM 952 O GLY A 151 -4.828 5.185 -2.173 1.00 0.00 O ATOM 0 H GLY A 151 -2.489 3.287 -5.210 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -3.509 5.772 -4.273 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -4.408 4.448 -4.988 1.00 0.00 H new ATOM 956 N VAL A 152 -4.066 3.089 -2.466 1.00 0.00 N ATOM 957 CA VAL A 152 -4.476 2.632 -1.148 1.00 0.00 C ATOM 958 C VAL A 152 -3.528 3.188 -0.089 1.00 0.00 C ATOM 959 O VAL A 152 -3.954 3.623 0.982 1.00 0.00 O ATOM 960 CB VAL A 152 -4.491 1.092 -1.074 1.00 0.00 C ATOM 961 CG1 VAL A 152 -5.133 0.621 0.219 1.00 0.00 C ATOM 962 CG2 VAL A 152 -5.205 0.507 -2.279 1.00 0.00 C ATOM 0 H VAL A 152 -3.639 2.368 -3.047 1.00 0.00 H new ATOM 0 HA VAL A 152 -5.487 2.994 -0.962 1.00 0.00 H new ATOM 0 HB VAL A 152 -3.460 0.738 -1.085 1.00 0.00 H new ATOM 0 HG11 VAL A 152 -5.133 -0.469 0.250 1.00 0.00 H new ATOM 0 HG12 VAL A 152 -4.569 1.008 1.067 1.00 0.00 H new ATOM 0 HG13 VAL A 152 -6.159 0.985 0.269 1.00 0.00 H new ATOM 0 HG21 VAL A 152 -5.205 -0.581 -2.209 1.00 0.00 H new ATOM 0 HG22 VAL A 152 -6.233 0.869 -2.304 1.00 0.00 H new ATOM 0 HG23 VAL A 152 -4.690 0.812 -3.190 1.00 0.00 H new ATOM 972 N MET A 153 -2.239 3.192 -0.411 1.00 0.00 N ATOM 973 CA MET A 153 -1.224 3.752 0.471 1.00 0.00 C ATOM 974 C MET A 153 -1.468 5.249 0.643 1.00 0.00 C ATOM 975 O MET A 153 -2.050 5.875 -0.233 1.00 0.00 O ATOM 976 CB MET A 153 0.174 3.495 -0.104 1.00 0.00 C ATOM 977 CG MET A 153 1.307 3.940 0.808 1.00 0.00 C ATOM 978 SD MET A 153 2.934 3.622 0.098 1.00 0.00 S ATOM 979 CE MET A 153 4.002 4.184 1.423 1.00 0.00 C ATOM 0 H MET A 153 -1.872 2.811 -1.283 1.00 0.00 H new ATOM 0 HA MET A 153 -1.286 3.270 1.447 1.00 0.00 H new ATOM 0 HB2 MET A 153 0.282 2.430 -0.308 1.00 0.00 H new ATOM 0 HB3 MET A 153 0.264 4.013 -1.059 1.00 0.00 H new ATOM 0 HG2 MET A 153 1.206 5.006 1.013 1.00 0.00 H new ATOM 0 HG3 MET A 153 1.224 3.422 1.764 1.00 0.00 H new ATOM 0 HE1 MET A 153 5.044 4.051 1.132 1.00 0.00 H new ATOM 0 HE2 MET A 153 3.812 5.239 1.620 1.00 0.00 H new ATOM 0 HE3 MET A 153 3.800 3.604 2.324 1.00 0.00 H new