USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=14 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 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 162:sc= -0.103 (180deg=-0.455) USER MOD Single : A 105 ASN : amide:sc= -0.135 K(o=-0.13,f=-4.8!) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.0274 USER MOD Single : A 113 MET CE :methyl -127:sc= 0 (180deg=-0.766) USER MOD Single : A 123 THR OG1 : rot -31:sc= 1.11 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 173:sc= -2.47 (180deg=-2.62!) USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD Single : A 143 THR OG1 : rot 141:sc= 1.35 USER MOD Single : A 150 MET CE :methyl -130:sc= -0.359 (180deg=-1.5) USER MOD Single : A 153 MET CE :methyl -142:sc= -0.231 (180deg=-0.795) USER MOD ----------------------------------------------------------------- ATOM 54 N GLU A 92 10.333 6.689 -4.709 1.00 0.00 N ATOM 55 CA GLU A 92 10.005 5.309 -5.081 1.00 0.00 C ATOM 56 C GLU A 92 9.320 4.527 -3.963 1.00 0.00 C ATOM 57 O GLU A 92 9.964 4.048 -3.032 1.00 0.00 O ATOM 58 CB GLU A 92 11.273 4.568 -5.518 1.00 0.00 C ATOM 59 CG GLU A 92 11.698 4.860 -6.950 1.00 0.00 C ATOM 60 CD GLU A 92 11.780 6.339 -7.249 1.00 0.00 C ATOM 61 OE1 GLU A 92 12.753 6.987 -6.811 1.00 0.00 O ATOM 62 OE2 GLU A 92 10.861 6.863 -7.910 1.00 0.00 O ATOM 0 HA GLU A 92 9.296 5.373 -5.906 1.00 0.00 H new ATOM 0 HB2 GLU A 92 12.088 4.836 -4.846 1.00 0.00 H new ATOM 0 HB3 GLU A 92 11.110 3.496 -5.410 1.00 0.00 H new ATOM 0 HG2 GLU A 92 12.670 4.402 -7.136 1.00 0.00 H new ATOM 0 HG3 GLU A 92 10.990 4.394 -7.636 1.00 0.00 H new ATOM 69 N LEU A 93 8.005 4.387 -4.096 1.00 0.00 N ATOM 70 CA LEU A 93 7.203 3.615 -3.155 1.00 0.00 C ATOM 71 C LEU A 93 7.556 2.139 -3.267 1.00 0.00 C ATOM 72 O LEU A 93 7.333 1.354 -2.342 1.00 0.00 O ATOM 73 CB LEU A 93 5.717 3.820 -3.444 1.00 0.00 C ATOM 74 CG LEU A 93 5.246 5.275 -3.418 1.00 0.00 C ATOM 75 CD1 LEU A 93 3.807 5.372 -3.892 1.00 0.00 C ATOM 76 CD2 LEU A 93 5.384 5.860 -2.018 1.00 0.00 C ATOM 0 H LEU A 93 7.468 4.804 -4.856 1.00 0.00 H new ATOM 0 HA LEU A 93 7.416 3.956 -2.142 1.00 0.00 H new ATOM 0 HB2 LEU A 93 5.492 3.399 -4.424 1.00 0.00 H new ATOM 0 HB3 LEU A 93 5.139 3.254 -2.713 1.00 0.00 H new ATOM 0 HG LEU A 93 5.876 5.852 -4.094 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.485 6.413 -3.868 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.733 4.993 -4.911 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.168 4.780 -3.237 1.00 0.00 H new ATOM 0 HD21 LEU A 93 5.044 6.896 -2.021 1.00 0.00 H new ATOM 0 HD22 LEU A 93 4.779 5.281 -1.321 1.00 0.00 H new ATOM 0 HD23 LEU A 93 6.429 5.822 -1.709 1.00 0.00 H new ATOM 88 N ARG A 94 8.126 1.775 -4.412 1.00 0.00 N ATOM 89 CA ARG A 94 8.567 0.414 -4.656 1.00 0.00 C ATOM 90 C ARG A 94 9.613 -0.010 -3.632 1.00 0.00 C ATOM 91 O ARG A 94 9.735 -1.187 -3.323 1.00 0.00 O ATOM 92 CB ARG A 94 9.142 0.277 -6.069 1.00 0.00 C ATOM 93 CG ARG A 94 10.292 1.232 -6.356 1.00 0.00 C ATOM 94 CD ARG A 94 10.948 0.937 -7.694 1.00 0.00 C ATOM 95 NE ARG A 94 10.011 1.040 -8.813 1.00 0.00 N ATOM 96 CZ ARG A 94 10.160 0.390 -9.965 1.00 0.00 C ATOM 97 NH1 ARG A 94 11.189 -0.428 -10.143 1.00 0.00 N ATOM 98 NH2 ARG A 94 9.274 0.561 -10.935 1.00 0.00 N ATOM 0 H ARG A 94 8.292 2.414 -5.190 1.00 0.00 H new ATOM 0 HA ARG A 94 7.699 -0.239 -4.562 1.00 0.00 H new ATOM 0 HB2 ARG A 94 9.487 -0.747 -6.214 1.00 0.00 H new ATOM 0 HB3 ARG A 94 8.347 0.451 -6.794 1.00 0.00 H new ATOM 0 HG2 ARG A 94 9.923 2.258 -6.350 1.00 0.00 H new ATOM 0 HG3 ARG A 94 11.035 1.156 -5.562 1.00 0.00 H new ATOM 0 HD2 ARG A 94 11.774 1.631 -7.851 1.00 0.00 H new ATOM 0 HD3 ARG A 94 11.374 -0.066 -7.673 1.00 0.00 H new ATOM 0 HE ARG A 94 9.197 1.645 -8.704 1.00 0.00 H new ATOM 0 HH11 ARG A 94 11.870 -0.561 -9.395 1.00 0.00 H new ATOM 0 HH12 ARG A 94 11.299 -0.924 -11.027 1.00 0.00 H new ATOM 0 HH21 ARG A 94 8.482 1.189 -10.797 1.00 0.00 H new ATOM 0 HH22 ARG A 94 9.384 0.065 -11.819 1.00 0.00 H new ATOM 112 N GLU A 95 10.355 0.957 -3.101 1.00 0.00 N ATOM 113 CA GLU A 95 11.400 0.670 -2.130 1.00 0.00 C ATOM 114 C GLU A 95 10.796 0.064 -0.866 1.00 0.00 C ATOM 115 O GLU A 95 11.255 -0.968 -0.377 1.00 0.00 O ATOM 116 CB GLU A 95 12.167 1.950 -1.794 1.00 0.00 C ATOM 117 CG GLU A 95 13.420 1.713 -0.971 1.00 0.00 C ATOM 118 CD GLU A 95 14.367 0.738 -1.638 1.00 0.00 C ATOM 119 OE1 GLU A 95 14.769 0.990 -2.792 1.00 0.00 O ATOM 120 OE2 GLU A 95 14.717 -0.283 -1.014 1.00 0.00 O ATOM 0 H GLU A 95 10.250 1.946 -3.328 1.00 0.00 H new ATOM 0 HA GLU A 95 12.094 -0.052 -2.561 1.00 0.00 H new ATOM 0 HB2 GLU A 95 12.442 2.452 -2.722 1.00 0.00 H new ATOM 0 HB3 GLU A 95 11.508 2.626 -1.249 1.00 0.00 H new ATOM 0 HG2 GLU A 95 13.932 2.662 -0.810 1.00 0.00 H new ATOM 0 HG3 GLU A 95 13.141 1.331 0.011 1.00 0.00 H new ATOM 127 N ALA A 96 9.745 0.698 -0.362 1.00 0.00 N ATOM 128 CA ALA A 96 9.039 0.202 0.811 1.00 0.00 C ATOM 129 C ALA A 96 8.411 -1.153 0.512 1.00 0.00 C ATOM 130 O ALA A 96 8.382 -2.042 1.365 1.00 0.00 O ATOM 131 CB ALA A 96 7.980 1.199 1.255 1.00 0.00 C ATOM 0 H ALA A 96 9.362 1.560 -0.750 1.00 0.00 H new ATOM 0 HA ALA A 96 9.754 0.080 1.625 1.00 0.00 H new ATOM 0 HB1 ALA A 96 7.462 0.813 2.133 1.00 0.00 H new ATOM 0 HB2 ALA A 96 8.455 2.148 1.503 1.00 0.00 H new ATOM 0 HB3 ALA A 96 7.263 1.352 0.448 1.00 0.00 H new ATOM 137 N PHE A 97 7.925 -1.309 -0.714 1.00 0.00 N ATOM 138 CA PHE A 97 7.342 -2.572 -1.149 1.00 0.00 C ATOM 139 C PHE A 97 8.405 -3.666 -1.187 1.00 0.00 C ATOM 140 O PHE A 97 8.166 -4.777 -0.729 1.00 0.00 O ATOM 141 CB PHE A 97 6.686 -2.419 -2.528 1.00 0.00 C ATOM 142 CG PHE A 97 5.995 -3.666 -3.009 1.00 0.00 C ATOM 143 CD1 PHE A 97 4.708 -3.966 -2.590 1.00 0.00 C ATOM 144 CD2 PHE A 97 6.637 -4.544 -3.871 1.00 0.00 C ATOM 145 CE1 PHE A 97 4.074 -5.116 -3.026 1.00 0.00 C ATOM 146 CE2 PHE A 97 6.009 -5.692 -4.309 1.00 0.00 C ATOM 147 CZ PHE A 97 4.728 -5.980 -3.885 1.00 0.00 C ATOM 0 H PHE A 97 7.923 -0.577 -1.424 1.00 0.00 H new ATOM 0 HA PHE A 97 6.573 -2.858 -0.431 1.00 0.00 H new ATOM 0 HB2 PHE A 97 5.962 -1.605 -2.488 1.00 0.00 H new ATOM 0 HB3 PHE A 97 7.448 -2.133 -3.253 1.00 0.00 H new ATOM 0 HD1 PHE A 97 4.195 -3.295 -1.917 1.00 0.00 H new ATOM 0 HD2 PHE A 97 7.641 -4.326 -4.203 1.00 0.00 H new ATOM 0 HE1 PHE A 97 3.070 -5.338 -2.696 1.00 0.00 H new ATOM 0 HE2 PHE A 97 6.520 -6.364 -4.983 1.00 0.00 H new ATOM 0 HZ PHE A 97 4.236 -6.880 -4.224 1.00 0.00 H new ATOM 157 N ARG A 98 9.578 -3.335 -1.721 1.00 0.00 N ATOM 158 CA ARG A 98 10.691 -4.281 -1.830 1.00 0.00 C ATOM 159 C ARG A 98 11.034 -4.896 -0.482 1.00 0.00 C ATOM 160 O ARG A 98 11.393 -6.069 -0.406 1.00 0.00 O ATOM 161 CB ARG A 98 11.931 -3.589 -2.391 1.00 0.00 C ATOM 162 CG ARG A 98 11.880 -3.307 -3.883 1.00 0.00 C ATOM 163 CD ARG A 98 12.103 -4.563 -4.717 1.00 0.00 C ATOM 164 NE ARG A 98 10.909 -5.400 -4.833 1.00 0.00 N ATOM 165 CZ ARG A 98 10.284 -5.629 -5.989 1.00 0.00 C ATOM 166 NH1 ARG A 98 10.715 -5.045 -7.101 1.00 0.00 N ATOM 167 NH2 ARG A 98 9.237 -6.443 -6.040 1.00 0.00 N ATOM 0 H ARG A 98 9.786 -2.407 -2.090 1.00 0.00 H new ATOM 0 HA ARG A 98 10.374 -5.074 -2.507 1.00 0.00 H new ATOM 0 HB2 ARG A 98 12.076 -2.647 -1.862 1.00 0.00 H new ATOM 0 HB3 ARG A 98 12.803 -4.209 -2.182 1.00 0.00 H new ATOM 0 HG2 ARG A 98 10.913 -2.873 -4.136 1.00 0.00 H new ATOM 0 HG3 ARG A 98 12.638 -2.566 -4.137 1.00 0.00 H new ATOM 0 HD2 ARG A 98 12.434 -4.274 -5.715 1.00 0.00 H new ATOM 0 HD3 ARG A 98 12.907 -5.149 -4.271 1.00 0.00 H new ATOM 0 HE ARG A 98 10.535 -5.830 -3.987 1.00 0.00 H new ATOM 0 HH11 ARG A 98 11.523 -4.423 -7.070 1.00 0.00 H new ATOM 0 HH12 ARG A 98 10.239 -5.219 -7.986 1.00 0.00 H new ATOM 0 HH21 ARG A 98 8.904 -6.899 -5.191 1.00 0.00 H new ATOM 0 HH22 ARG A 98 8.765 -6.612 -6.928 1.00 0.00 H new ATOM 181 N LEU A 99 10.926 -4.094 0.571 1.00 0.00 N ATOM 182 CA LEU A 99 11.216 -4.553 1.922 1.00 0.00 C ATOM 183 C LEU A 99 10.317 -5.725 2.300 1.00 0.00 C ATOM 184 O LEU A 99 10.790 -6.764 2.757 1.00 0.00 O ATOM 185 CB LEU A 99 11.029 -3.405 2.918 1.00 0.00 C ATOM 186 CG LEU A 99 11.855 -2.148 2.625 1.00 0.00 C ATOM 187 CD1 LEU A 99 11.550 -1.062 3.646 1.00 0.00 C ATOM 188 CD2 LEU A 99 13.343 -2.476 2.616 1.00 0.00 C ATOM 0 H LEU A 99 10.638 -3.117 0.513 1.00 0.00 H new ATOM 0 HA LEU A 99 12.252 -4.890 1.956 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.974 -3.131 2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 99 11.284 -3.764 3.915 1.00 0.00 H new ATOM 0 HG LEU A 99 11.582 -1.777 1.637 1.00 0.00 H new ATOM 0 HD11 LEU A 99 12.145 -0.176 3.424 1.00 0.00 H new ATOM 0 HD12 LEU A 99 10.491 -0.808 3.602 1.00 0.00 H new ATOM 0 HD13 LEU A 99 11.795 -1.422 4.645 1.00 0.00 H new ATOM 0 HD21 LEU A 99 13.914 -1.571 2.406 1.00 0.00 H new ATOM 0 HD22 LEU A 99 13.634 -2.871 3.589 1.00 0.00 H new ATOM 0 HD23 LEU A 99 13.547 -3.220 1.846 1.00 0.00 H new ATOM 200 N TYR A 100 9.020 -5.564 2.079 1.00 0.00 N ATOM 201 CA TYR A 100 8.054 -6.591 2.443 1.00 0.00 C ATOM 202 C TYR A 100 7.955 -7.660 1.357 1.00 0.00 C ATOM 203 O TYR A 100 7.570 -8.796 1.625 1.00 0.00 O ATOM 204 CB TYR A 100 6.694 -5.956 2.725 1.00 0.00 C ATOM 205 CG TYR A 100 6.725 -5.014 3.910 1.00 0.00 C ATOM 206 CD1 TYR A 100 6.594 -5.495 5.208 1.00 0.00 C ATOM 207 CD2 TYR A 100 6.896 -3.644 3.735 1.00 0.00 C ATOM 208 CE1 TYR A 100 6.634 -4.643 6.294 1.00 0.00 C ATOM 209 CE2 TYR A 100 6.940 -2.785 4.819 1.00 0.00 C ATOM 210 CZ TYR A 100 6.803 -3.291 6.094 1.00 0.00 C ATOM 211 OH TYR A 100 6.849 -2.442 7.178 1.00 0.00 O ATOM 0 H TYR A 100 8.613 -4.733 1.650 1.00 0.00 H new ATOM 0 HA TYR A 100 8.396 -7.084 3.353 1.00 0.00 H new ATOM 0 HB2 TYR A 100 6.361 -5.411 1.841 1.00 0.00 H new ATOM 0 HB3 TYR A 100 5.962 -6.742 2.909 1.00 0.00 H new ATOM 0 HD1 TYR A 100 6.459 -6.554 5.370 1.00 0.00 H new ATOM 0 HD2 TYR A 100 6.996 -3.245 2.737 1.00 0.00 H new ATOM 0 HE1 TYR A 100 6.533 -5.035 7.295 1.00 0.00 H new ATOM 0 HE2 TYR A 100 7.081 -1.725 4.667 1.00 0.00 H new ATOM 0 HH TYR A 100 6.974 -1.521 6.867 1.00 0.00 H new ATOM 221 N ASP A 101 8.316 -7.287 0.135 1.00 0.00 N ATOM 222 CA ASP A 101 8.457 -8.240 -0.965 1.00 0.00 C ATOM 223 C ASP A 101 9.549 -9.248 -0.625 1.00 0.00 C ATOM 224 O ASP A 101 9.428 -10.444 -0.889 1.00 0.00 O ATOM 225 CB ASP A 101 8.802 -7.487 -2.256 1.00 0.00 C ATOM 226 CG ASP A 101 9.113 -8.390 -3.436 1.00 0.00 C ATOM 227 OD1 ASP A 101 10.247 -8.902 -3.512 1.00 0.00 O ATOM 228 OD2 ASP A 101 8.243 -8.548 -4.323 1.00 0.00 O ATOM 0 H ASP A 101 8.519 -6.321 -0.123 1.00 0.00 H new ATOM 0 HA ASP A 101 7.519 -8.775 -1.113 1.00 0.00 H new ATOM 0 HB2 ASP A 101 7.967 -6.838 -2.519 1.00 0.00 H new ATOM 0 HB3 ASP A 101 9.661 -6.842 -2.069 1.00 0.00 H new ATOM 233 N LYS A 102 10.610 -8.737 -0.006 1.00 0.00 N ATOM 234 CA LYS A 102 11.721 -9.559 0.451 1.00 0.00 C ATOM 235 C LYS A 102 11.306 -10.410 1.649 1.00 0.00 C ATOM 236 O LYS A 102 11.866 -11.479 1.890 1.00 0.00 O ATOM 237 CB LYS A 102 12.915 -8.662 0.811 1.00 0.00 C ATOM 238 CG LYS A 102 14.097 -9.404 1.414 1.00 0.00 C ATOM 239 CD LYS A 102 14.667 -10.440 0.459 1.00 0.00 C ATOM 240 CE LYS A 102 15.753 -11.268 1.131 1.00 0.00 C ATOM 241 NZ LYS A 102 15.231 -12.018 2.304 1.00 0.00 N ATOM 0 H LYS A 102 10.721 -7.743 0.192 1.00 0.00 H new ATOM 0 HA LYS A 102 12.015 -10.234 -0.353 1.00 0.00 H new ATOM 0 HB2 LYS A 102 13.248 -8.142 -0.088 1.00 0.00 H new ATOM 0 HB3 LYS A 102 12.582 -7.900 1.515 1.00 0.00 H new ATOM 0 HG2 LYS A 102 14.876 -8.689 1.680 1.00 0.00 H new ATOM 0 HG3 LYS A 102 13.785 -9.894 2.336 1.00 0.00 H new ATOM 0 HD2 LYS A 102 13.869 -11.096 0.111 1.00 0.00 H new ATOM 0 HD3 LYS A 102 15.077 -9.942 -0.420 1.00 0.00 H new ATOM 0 HE2 LYS A 102 16.174 -11.969 0.410 1.00 0.00 H new ATOM 0 HE3 LYS A 102 16.564 -10.613 1.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 15.890 -12.785 2.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 15.137 -11.373 3.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 14.301 -12.421 2.072 1.00 0.00 H new ATOM 255 N GLU A 103 10.314 -9.935 2.387 1.00 0.00 N ATOM 256 CA GLU A 103 9.826 -10.649 3.558 1.00 0.00 C ATOM 257 C GLU A 103 8.887 -11.784 3.169 1.00 0.00 C ATOM 258 O GLU A 103 8.662 -12.705 3.956 1.00 0.00 O ATOM 259 CB GLU A 103 9.109 -9.692 4.511 1.00 0.00 C ATOM 260 CG GLU A 103 10.043 -8.738 5.234 1.00 0.00 C ATOM 261 CD GLU A 103 11.156 -9.463 5.956 1.00 0.00 C ATOM 262 OE1 GLU A 103 10.856 -10.335 6.803 1.00 0.00 O ATOM 263 OE2 GLU A 103 12.337 -9.174 5.678 1.00 0.00 O ATOM 0 H GLU A 103 9.831 -9.057 2.196 1.00 0.00 H new ATOM 0 HA GLU A 103 10.692 -11.078 4.062 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.377 -9.113 3.948 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.556 -10.274 5.248 1.00 0.00 H new ATOM 0 HG2 GLU A 103 10.473 -8.040 4.516 1.00 0.00 H new ATOM 0 HG3 GLU A 103 9.472 -8.147 5.951 1.00 0.00 H new ATOM 270 N GLY A 104 8.345 -11.723 1.964 1.00 0.00 N ATOM 271 CA GLY A 104 7.415 -12.741 1.531 1.00 0.00 C ATOM 272 C GLY A 104 7.463 -12.973 0.038 1.00 0.00 C ATOM 273 O GLY A 104 8.435 -13.523 -0.482 1.00 0.00 O ATOM 0 H GLY A 104 8.532 -10.989 1.280 1.00 0.00 H new ATOM 0 HA2 GLY A 104 7.637 -13.675 2.048 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.404 -12.451 1.818 1.00 0.00 H new ATOM 277 N ASN A 105 6.408 -12.554 -0.651 1.00 0.00 N ATOM 278 CA ASN A 105 6.299 -12.745 -2.093 1.00 0.00 C ATOM 279 C ASN A 105 6.042 -11.412 -2.777 1.00 0.00 C ATOM 280 O ASN A 105 6.075 -10.364 -2.137 1.00 0.00 O ATOM 281 CB ASN A 105 5.152 -13.708 -2.439 1.00 0.00 C ATOM 282 CG ASN A 105 5.388 -15.144 -1.999 1.00 0.00 C ATOM 283 OD1 ASN A 105 6.049 -15.409 -0.994 1.00 0.00 O ATOM 284 ND2 ASN A 105 4.839 -16.083 -2.751 1.00 0.00 N ATOM 0 H ASN A 105 5.611 -12.076 -0.231 1.00 0.00 H new ATOM 0 HA ASN A 105 7.239 -13.171 -2.444 1.00 0.00 H new ATOM 0 HB2 ASN A 105 4.235 -13.344 -1.975 1.00 0.00 H new ATOM 0 HB3 ASN A 105 4.992 -13.692 -3.517 1.00 0.00 H new ATOM 0 HD21 ASN A 105 4.956 -17.066 -2.506 1.00 0.00 H new ATOM 0 HD22 ASN A 105 4.298 -15.824 -3.576 1.00 0.00 H new ATOM 291 N GLY A 106 5.760 -11.461 -4.075 1.00 0.00 N ATOM 292 CA GLY A 106 5.418 -10.258 -4.813 1.00 0.00 C ATOM 293 C GLY A 106 3.981 -9.832 -4.579 1.00 0.00 C ATOM 294 O GLY A 106 3.509 -8.850 -5.156 1.00 0.00 O ATOM 0 H GLY A 106 5.762 -12.316 -4.631 1.00 0.00 H new ATOM 0 HA2 GLY A 106 6.087 -9.450 -4.518 1.00 0.00 H new ATOM 0 HA3 GLY A 106 5.576 -10.430 -5.878 1.00 0.00 H new ATOM 298 N TYR A 107 3.281 -10.590 -3.751 1.00 0.00 N ATOM 299 CA TYR A 107 1.922 -10.264 -3.356 1.00 0.00 C ATOM 300 C TYR A 107 1.849 -10.172 -1.841 1.00 0.00 C ATOM 301 O TYR A 107 2.008 -11.176 -1.145 1.00 0.00 O ATOM 302 CB TYR A 107 0.937 -11.320 -3.864 1.00 0.00 C ATOM 303 CG TYR A 107 0.833 -11.406 -5.373 1.00 0.00 C ATOM 304 CD1 TYR A 107 1.696 -12.213 -6.102 1.00 0.00 C ATOM 305 CD2 TYR A 107 -0.138 -10.691 -6.063 1.00 0.00 C ATOM 306 CE1 TYR A 107 1.598 -12.304 -7.480 1.00 0.00 C ATOM 307 CE2 TYR A 107 -0.242 -10.775 -7.441 1.00 0.00 C ATOM 308 CZ TYR A 107 0.625 -11.581 -8.144 1.00 0.00 C ATOM 309 OH TYR A 107 0.515 -11.671 -9.514 1.00 0.00 O ATOM 0 H TYR A 107 3.640 -11.449 -3.334 1.00 0.00 H new ATOM 0 HA TYR A 107 1.648 -9.306 -3.797 1.00 0.00 H new ATOM 0 HB2 TYR A 107 1.236 -12.294 -3.477 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -0.050 -11.104 -3.456 1.00 0.00 H new ATOM 0 HD1 TYR A 107 2.457 -12.779 -5.585 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -0.822 -10.060 -5.516 1.00 0.00 H new ATOM 0 HE1 TYR A 107 2.278 -12.936 -8.033 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -1.001 -10.210 -7.963 1.00 0.00 H new ATOM 0 HH TYR A 107 -0.220 -11.101 -9.821 1.00 0.00 H new ATOM 319 N ILE A 108 1.622 -8.972 -1.333 1.00 0.00 N ATOM 320 CA ILE A 108 1.618 -8.751 0.103 1.00 0.00 C ATOM 321 C ILE A 108 0.221 -8.913 0.681 1.00 0.00 C ATOM 322 O ILE A 108 -0.777 -8.536 0.061 1.00 0.00 O ATOM 323 CB ILE A 108 2.175 -7.358 0.479 1.00 0.00 C ATOM 324 CG1 ILE A 108 1.338 -6.242 -0.157 1.00 0.00 C ATOM 325 CG2 ILE A 108 3.638 -7.242 0.058 1.00 0.00 C ATOM 326 CD1 ILE A 108 1.747 -4.852 0.278 1.00 0.00 C ATOM 0 H ILE A 108 1.439 -8.139 -1.892 1.00 0.00 H new ATOM 0 HA ILE A 108 2.273 -9.508 0.534 1.00 0.00 H new ATOM 0 HB ILE A 108 2.115 -7.246 1.562 1.00 0.00 H new ATOM 0 HG12 ILE A 108 1.419 -6.312 -1.242 1.00 0.00 H new ATOM 0 HG13 ILE A 108 0.289 -6.398 0.095 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.017 -6.257 0.329 1.00 0.00 H new ATOM 0 HG22 ILE A 108 4.224 -8.008 0.565 1.00 0.00 H new ATOM 0 HG23 ILE A 108 3.718 -7.378 -1.021 1.00 0.00 H new ATOM 0 HD11 ILE A 108 1.111 -4.115 -0.213 1.00 0.00 H new ATOM 0 HD12 ILE A 108 1.639 -4.762 1.359 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.786 -4.675 0.001 1.00 0.00 H new ATOM 338 N SER A 109 0.169 -9.504 1.862 1.00 0.00 N ATOM 339 CA SER A 109 -1.078 -9.677 2.583 1.00 0.00 C ATOM 340 C SER A 109 -1.603 -8.320 3.032 1.00 0.00 C ATOM 341 O SER A 109 -0.839 -7.468 3.494 1.00 0.00 O ATOM 342 CB SER A 109 -0.857 -10.593 3.790 1.00 0.00 C ATOM 343 OG SER A 109 -0.253 -11.817 3.397 1.00 0.00 O ATOM 0 H SER A 109 0.987 -9.876 2.346 1.00 0.00 H new ATOM 0 HA SER A 109 -1.816 -10.139 1.927 1.00 0.00 H new ATOM 0 HB2 SER A 109 -0.225 -10.090 4.522 1.00 0.00 H new ATOM 0 HB3 SER A 109 -1.811 -10.794 4.278 1.00 0.00 H new ATOM 0 HG SER A 109 -0.120 -12.384 4.185 1.00 0.00 H new ATOM 349 N THR A 110 -2.905 -8.131 2.877 1.00 0.00 N ATOM 350 CA THR A 110 -3.557 -6.859 3.173 1.00 0.00 C ATOM 351 C THR A 110 -3.390 -6.445 4.631 1.00 0.00 C ATOM 352 O THR A 110 -3.498 -5.260 4.958 1.00 0.00 O ATOM 353 CB THR A 110 -5.050 -6.921 2.820 1.00 0.00 C ATOM 354 OG1 THR A 110 -5.605 -8.170 3.252 1.00 0.00 O ATOM 355 CG2 THR A 110 -5.259 -6.753 1.324 1.00 0.00 C ATOM 0 H THR A 110 -3.542 -8.854 2.542 1.00 0.00 H new ATOM 0 HA THR A 110 -3.067 -6.105 2.557 1.00 0.00 H new ATOM 0 HB THR A 110 -5.557 -6.104 3.334 1.00 0.00 H new ATOM 0 HG1 THR A 110 -6.558 -8.201 3.025 1.00 0.00 H new ATOM 0 HG21 THR A 110 -6.324 -6.800 1.098 1.00 0.00 H new ATOM 0 HG22 THR A 110 -4.863 -5.788 1.007 1.00 0.00 H new ATOM 0 HG23 THR A 110 -4.739 -7.550 0.792 1.00 0.00 H new ATOM 363 N ASP A 111 -3.139 -7.419 5.501 1.00 0.00 N ATOM 364 CA ASP A 111 -2.839 -7.138 6.897 1.00 0.00 C ATOM 365 C ASP A 111 -1.604 -6.249 6.992 1.00 0.00 C ATOM 366 O ASP A 111 -1.594 -5.250 7.708 1.00 0.00 O ATOM 367 CB ASP A 111 -2.587 -8.435 7.671 1.00 0.00 C ATOM 368 CG ASP A 111 -3.794 -9.346 7.737 1.00 0.00 C ATOM 369 OD1 ASP A 111 -4.628 -9.185 8.653 1.00 0.00 O ATOM 370 OD2 ASP A 111 -3.905 -10.250 6.882 1.00 0.00 O ATOM 0 H ASP A 111 -3.138 -8.410 5.261 1.00 0.00 H new ATOM 0 HA ASP A 111 -3.697 -6.628 7.334 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -1.762 -8.972 7.204 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -2.273 -8.188 8.685 1.00 0.00 H new ATOM 375 N VAL A 112 -0.581 -6.614 6.229 1.00 0.00 N ATOM 376 CA VAL A 112 0.682 -5.888 6.217 1.00 0.00 C ATOM 377 C VAL A 112 0.492 -4.479 5.673 1.00 0.00 C ATOM 378 O VAL A 112 1.092 -3.526 6.166 1.00 0.00 O ATOM 379 CB VAL A 112 1.733 -6.614 5.352 1.00 0.00 C ATOM 380 CG1 VAL A 112 3.082 -5.914 5.431 1.00 0.00 C ATOM 381 CG2 VAL A 112 1.856 -8.076 5.759 1.00 0.00 C ATOM 0 H VAL A 112 -0.604 -7.419 5.603 1.00 0.00 H new ATOM 0 HA VAL A 112 1.034 -5.839 7.248 1.00 0.00 H new ATOM 0 HB VAL A 112 1.396 -6.579 4.316 1.00 0.00 H new ATOM 0 HG11 VAL A 112 3.805 -6.446 4.812 1.00 0.00 H new ATOM 0 HG12 VAL A 112 2.982 -4.890 5.072 1.00 0.00 H new ATOM 0 HG13 VAL A 112 3.427 -5.904 6.465 1.00 0.00 H new ATOM 0 HG21 VAL A 112 2.603 -8.566 5.134 1.00 0.00 H new ATOM 0 HG22 VAL A 112 2.159 -8.138 6.804 1.00 0.00 H new ATOM 0 HG23 VAL A 112 0.894 -8.572 5.630 1.00 0.00 H new ATOM 391 N MET A 113 -0.355 -4.353 4.656 1.00 0.00 N ATOM 392 CA MET A 113 -0.595 -3.064 4.012 1.00 0.00 C ATOM 393 C MET A 113 -1.140 -2.054 5.014 1.00 0.00 C ATOM 394 O MET A 113 -0.781 -0.876 4.975 1.00 0.00 O ATOM 395 CB MET A 113 -1.560 -3.223 2.834 1.00 0.00 C ATOM 396 CG MET A 113 -1.737 -1.957 2.017 1.00 0.00 C ATOM 397 SD MET A 113 -2.785 -2.214 0.576 1.00 0.00 S ATOM 398 CE MET A 113 -2.567 -0.648 -0.252 1.00 0.00 C ATOM 0 H MET A 113 -0.887 -5.127 4.259 1.00 0.00 H new ATOM 0 HA MET A 113 0.356 -2.691 3.632 1.00 0.00 H new ATOM 0 HB2 MET A 113 -1.197 -4.018 2.183 1.00 0.00 H new ATOM 0 HB3 MET A 113 -2.532 -3.540 3.212 1.00 0.00 H new ATOM 0 HG2 MET A 113 -2.172 -1.180 2.645 1.00 0.00 H new ATOM 0 HG3 MET A 113 -0.760 -1.597 1.694 1.00 0.00 H new ATOM 0 HE1 MET A 113 -3.542 -0.208 -0.461 1.00 0.00 H new ATOM 0 HE2 MET A 113 -1.995 0.025 0.387 1.00 0.00 H new ATOM 0 HE3 MET A 113 -2.030 -0.803 -1.188 1.00 0.00 H new ATOM 408 N ARG A 114 -1.990 -2.519 5.926 1.00 0.00 N ATOM 409 CA ARG A 114 -2.499 -1.659 6.986 1.00 0.00 C ATOM 410 C ARG A 114 -1.350 -1.205 7.877 1.00 0.00 C ATOM 411 O ARG A 114 -1.228 -0.025 8.191 1.00 0.00 O ATOM 412 CB ARG A 114 -3.549 -2.381 7.831 1.00 0.00 C ATOM 413 CG ARG A 114 -4.785 -2.818 7.059 1.00 0.00 C ATOM 414 CD ARG A 114 -5.783 -3.517 7.970 1.00 0.00 C ATOM 415 NE ARG A 114 -5.141 -4.555 8.767 1.00 0.00 N ATOM 416 CZ ARG A 114 -5.517 -5.827 8.795 1.00 0.00 C ATOM 417 NH1 ARG A 114 -6.612 -6.228 8.154 1.00 0.00 N ATOM 418 NH2 ARG A 114 -4.811 -6.691 9.508 1.00 0.00 N ATOM 0 H ARG A 114 -2.337 -3.478 5.951 1.00 0.00 H new ATOM 0 HA ARG A 114 -2.971 -0.793 6.522 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -3.091 -3.259 8.286 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -3.857 -1.724 8.645 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -5.255 -1.949 6.598 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -4.494 -3.489 6.251 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -6.249 -2.786 8.630 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -6.579 -3.958 7.370 1.00 0.00 H new ATOM 0 HE ARG A 114 -4.345 -4.284 9.345 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -7.173 -5.554 7.633 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -6.890 -7.209 8.184 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -3.991 -6.375 10.026 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -5.087 -7.672 9.540 1.00 0.00 H new ATOM 432 N GLU A 115 -0.498 -2.158 8.251 1.00 0.00 N ATOM 433 CA GLU A 115 0.650 -1.881 9.110 1.00 0.00 C ATOM 434 C GLU A 115 1.561 -0.830 8.480 1.00 0.00 C ATOM 435 O GLU A 115 2.109 0.028 9.173 1.00 0.00 O ATOM 436 CB GLU A 115 1.449 -3.163 9.365 1.00 0.00 C ATOM 437 CG GLU A 115 0.647 -4.278 10.018 1.00 0.00 C ATOM 438 CD GLU A 115 1.479 -5.522 10.263 1.00 0.00 C ATOM 439 OE1 GLU A 115 2.241 -5.542 11.250 1.00 0.00 O ATOM 440 OE2 GLU A 115 1.381 -6.478 9.464 1.00 0.00 O ATOM 0 H GLU A 115 -0.583 -3.135 7.970 1.00 0.00 H new ATOM 0 HA GLU A 115 0.273 -1.497 10.058 1.00 0.00 H new ATOM 0 HB2 GLU A 115 1.847 -3.524 8.417 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.303 -2.925 9.999 1.00 0.00 H new ATOM 0 HG2 GLU A 115 0.241 -3.923 10.965 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -0.202 -4.531 9.383 1.00 0.00 H new ATOM 447 N ILE A 116 1.728 -0.918 7.167 1.00 0.00 N ATOM 448 CA ILE A 116 2.554 0.028 6.427 1.00 0.00 C ATOM 449 C ILE A 116 1.933 1.425 6.417 1.00 0.00 C ATOM 450 O ILE A 116 2.545 2.392 6.868 1.00 0.00 O ATOM 451 CB ILE A 116 2.761 -0.428 4.964 1.00 0.00 C ATOM 452 CG1 ILE A 116 3.361 -1.836 4.916 1.00 0.00 C ATOM 453 CG2 ILE A 116 3.661 0.554 4.224 1.00 0.00 C ATOM 454 CD1 ILE A 116 3.451 -2.406 3.515 1.00 0.00 C ATOM 0 H ILE A 116 1.299 -1.640 6.589 1.00 0.00 H new ATOM 0 HA ILE A 116 3.516 0.063 6.937 1.00 0.00 H new ATOM 0 HB ILE A 116 1.789 -0.451 4.472 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.358 -1.813 5.355 1.00 0.00 H new ATOM 0 HG13 ILE A 116 2.757 -2.501 5.533 1.00 0.00 H new ATOM 0 HG21 ILE A 116 3.797 0.219 3.196 1.00 0.00 H new ATOM 0 HG22 ILE A 116 3.201 1.542 4.226 1.00 0.00 H new ATOM 0 HG23 ILE A 116 4.630 0.604 4.720 1.00 0.00 H new ATOM 0 HD11 ILE A 116 3.885 -3.405 3.556 1.00 0.00 H new ATOM 0 HD12 ILE A 116 2.453 -2.461 3.080 1.00 0.00 H new ATOM 0 HD13 ILE A 116 4.080 -1.762 2.900 1.00 0.00 H new ATOM 466 N LEU A 117 0.706 1.520 5.920 1.00 0.00 N ATOM 467 CA LEU A 117 0.083 2.817 5.683 1.00 0.00 C ATOM 468 C LEU A 117 -0.331 3.498 6.991 1.00 0.00 C ATOM 469 O LEU A 117 -0.456 4.721 7.040 1.00 0.00 O ATOM 470 CB LEU A 117 -1.103 2.666 4.719 1.00 0.00 C ATOM 471 CG LEU A 117 -2.442 2.311 5.343 1.00 0.00 C ATOM 472 CD1 LEU A 117 -3.239 3.582 5.559 1.00 0.00 C ATOM 473 CD2 LEU A 117 -3.210 1.336 4.465 1.00 0.00 C ATOM 0 H LEU A 117 0.125 0.719 5.674 1.00 0.00 H new ATOM 0 HA LEU A 117 0.822 3.469 5.216 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -1.219 3.601 4.171 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -0.853 1.897 3.988 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.272 1.822 6.302 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -4.202 3.336 6.007 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -2.689 4.248 6.224 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -3.400 4.078 4.602 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -4.165 1.098 4.934 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -3.388 1.788 3.489 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -2.629 0.422 4.341 1.00 0.00 H new ATOM 485 N ALA A 118 -0.519 2.715 8.053 1.00 0.00 N ATOM 486 CA ALA A 118 -0.850 3.280 9.361 1.00 0.00 C ATOM 487 C ALA A 118 0.314 4.098 9.899 1.00 0.00 C ATOM 488 O ALA A 118 0.125 5.056 10.643 1.00 0.00 O ATOM 489 CB ALA A 118 -1.219 2.184 10.351 1.00 0.00 C ATOM 0 H ALA A 118 -0.449 1.698 8.035 1.00 0.00 H new ATOM 0 HA ALA A 118 -1.712 3.934 9.235 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -1.461 2.631 11.315 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -2.083 1.634 9.979 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -0.377 1.501 10.468 1.00 0.00 H new ATOM 495 N GLU A 119 1.518 3.715 9.503 1.00 0.00 N ATOM 496 CA GLU A 119 2.722 4.410 9.929 1.00 0.00 C ATOM 497 C GLU A 119 2.922 5.677 9.099 1.00 0.00 C ATOM 498 O GLU A 119 3.582 6.625 9.533 1.00 0.00 O ATOM 499 CB GLU A 119 3.932 3.487 9.789 1.00 0.00 C ATOM 500 CG GLU A 119 5.218 4.084 10.340 1.00 0.00 C ATOM 501 CD GLU A 119 6.421 3.214 10.073 1.00 0.00 C ATOM 502 OE1 GLU A 119 7.058 3.382 9.013 1.00 0.00 O ATOM 503 OE2 GLU A 119 6.742 2.355 10.919 1.00 0.00 O ATOM 0 H GLU A 119 1.687 2.922 8.884 1.00 0.00 H new ATOM 0 HA GLU A 119 2.615 4.695 10.976 1.00 0.00 H new ATOM 0 HB2 GLU A 119 3.726 2.550 10.306 1.00 0.00 H new ATOM 0 HB3 GLU A 119 4.075 3.246 8.736 1.00 0.00 H new ATOM 0 HG2 GLU A 119 5.378 5.066 9.895 1.00 0.00 H new ATOM 0 HG3 GLU A 119 5.114 4.234 11.415 1.00 0.00 H new ATOM 510 N LEU A 120 2.329 5.685 7.911 1.00 0.00 N ATOM 511 CA LEU A 120 2.461 6.803 6.987 1.00 0.00 C ATOM 512 C LEU A 120 1.762 8.035 7.554 1.00 0.00 C ATOM 513 O LEU A 120 2.362 9.106 7.659 1.00 0.00 O ATOM 514 CB LEU A 120 1.874 6.419 5.615 1.00 0.00 C ATOM 515 CG LEU A 120 2.341 7.250 4.407 1.00 0.00 C ATOM 516 CD1 LEU A 120 1.785 8.666 4.450 1.00 0.00 C ATOM 517 CD2 LEU A 120 3.859 7.280 4.341 1.00 0.00 C ATOM 0 H LEU A 120 1.747 4.922 7.564 1.00 0.00 H new ATOM 0 HA LEU A 120 3.517 7.041 6.856 1.00 0.00 H new ATOM 0 HB2 LEU A 120 2.115 5.374 5.422 1.00 0.00 H new ATOM 0 HB3 LEU A 120 0.788 6.490 5.677 1.00 0.00 H new ATOM 0 HG LEU A 120 1.955 6.771 3.507 1.00 0.00 H new ATOM 0 HD11 LEU A 120 2.137 9.222 3.581 1.00 0.00 H new ATOM 0 HD12 LEU A 120 0.696 8.630 4.441 1.00 0.00 H new ATOM 0 HD13 LEU A 120 2.124 9.162 5.359 1.00 0.00 H new ATOM 0 HD21 LEU A 120 4.174 7.871 3.481 1.00 0.00 H new ATOM 0 HD22 LEU A 120 4.254 7.727 5.253 1.00 0.00 H new ATOM 0 HD23 LEU A 120 4.239 6.263 4.241 1.00 0.00 H new ATOM 529 N ASP A 121 0.502 7.874 7.927 1.00 0.00 N ATOM 530 CA ASP A 121 -0.275 8.978 8.474 1.00 0.00 C ATOM 531 C ASP A 121 -0.171 8.991 9.991 1.00 0.00 C ATOM 532 O ASP A 121 0.165 7.986 10.617 1.00 0.00 O ATOM 533 CB ASP A 121 -1.741 8.880 8.042 1.00 0.00 C ATOM 534 CG ASP A 121 -2.577 10.044 8.544 1.00 0.00 C ATOM 535 OD1 ASP A 121 -2.604 11.099 7.877 1.00 0.00 O ATOM 536 OD2 ASP A 121 -3.193 9.917 9.625 1.00 0.00 O ATOM 0 H ASP A 121 -0.005 6.991 7.862 1.00 0.00 H new ATOM 0 HA ASP A 121 0.133 9.911 8.084 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -1.793 8.842 6.954 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -2.164 7.947 8.414 1.00 0.00 H new ATOM 541 N GLU A 122 -0.456 10.148 10.568 1.00 0.00 N ATOM 542 CA GLU A 122 -0.281 10.379 11.991 1.00 0.00 C ATOM 543 C GLU A 122 -1.389 9.752 12.837 1.00 0.00 C ATOM 544 O GLU A 122 -1.167 9.455 14.008 1.00 0.00 O ATOM 545 CB GLU A 122 -0.216 11.886 12.267 1.00 0.00 C ATOM 546 CG GLU A 122 -1.417 12.657 11.732 1.00 0.00 C ATOM 547 CD GLU A 122 -1.348 14.139 12.026 1.00 0.00 C ATOM 548 OE1 GLU A 122 -0.683 14.872 11.264 1.00 0.00 O ATOM 549 OE2 GLU A 122 -1.952 14.581 13.024 1.00 0.00 O ATOM 0 H GLU A 122 -0.816 10.955 10.059 1.00 0.00 H new ATOM 0 HA GLU A 122 0.654 9.898 12.278 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -0.141 12.047 13.342 1.00 0.00 H new ATOM 0 HB3 GLU A 122 0.693 12.290 11.820 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -1.486 12.509 10.654 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -2.328 12.248 12.169 1.00 0.00 H new ATOM 556 N THR A 123 -2.577 9.557 12.276 1.00 0.00 N ATOM 557 CA THR A 123 -3.696 9.098 13.092 1.00 0.00 C ATOM 558 C THR A 123 -4.700 8.236 12.317 1.00 0.00 C ATOM 559 O THR A 123 -5.870 8.158 12.690 1.00 0.00 O ATOM 560 CB THR A 123 -4.422 10.301 13.743 1.00 0.00 C ATOM 561 OG1 THR A 123 -5.471 9.853 14.614 1.00 0.00 O ATOM 562 CG2 THR A 123 -5.002 11.210 12.680 1.00 0.00 C ATOM 0 H THR A 123 -2.788 9.704 11.289 1.00 0.00 H new ATOM 0 HA THR A 123 -3.267 8.462 13.866 1.00 0.00 H new ATOM 0 HB THR A 123 -3.689 10.856 14.329 1.00 0.00 H new ATOM 0 HG1 THR A 123 -5.840 9.011 14.275 1.00 0.00 H new ATOM 0 HG21 THR A 123 -5.508 12.050 13.156 1.00 0.00 H new ATOM 0 HG22 THR A 123 -4.200 11.584 12.043 1.00 0.00 H new ATOM 0 HG23 THR A 123 -5.716 10.652 12.074 1.00 0.00 H new ATOM 570 N LEU A 124 -4.257 7.566 11.262 1.00 0.00 N ATOM 571 CA LEU A 124 -5.141 6.636 10.567 1.00 0.00 C ATOM 572 C LEU A 124 -5.276 5.349 11.370 1.00 0.00 C ATOM 573 O LEU A 124 -4.306 4.616 11.561 1.00 0.00 O ATOM 574 CB LEU A 124 -4.649 6.320 9.153 1.00 0.00 C ATOM 575 CG LEU A 124 -4.788 7.451 8.134 1.00 0.00 C ATOM 576 CD1 LEU A 124 -4.346 6.984 6.757 1.00 0.00 C ATOM 577 CD2 LEU A 124 -6.221 7.963 8.087 1.00 0.00 C ATOM 0 H LEU A 124 -3.316 7.644 10.875 1.00 0.00 H new ATOM 0 HA LEU A 124 -6.115 7.117 10.475 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -3.599 6.034 9.209 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -5.196 5.453 8.783 1.00 0.00 H new ATOM 0 HG LEU A 124 -4.142 8.272 8.446 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -4.452 7.802 6.044 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -3.303 6.670 6.797 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -4.966 6.145 6.441 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -6.296 8.767 7.355 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -6.889 7.150 7.802 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -6.505 8.339 9.070 1.00 0.00 H new ATOM 589 N SER A 125 -6.479 5.099 11.850 1.00 0.00 N ATOM 590 CA SER A 125 -6.747 3.956 12.704 1.00 0.00 C ATOM 591 C SER A 125 -6.944 2.685 11.882 1.00 0.00 C ATOM 592 O SER A 125 -7.274 2.757 10.696 1.00 0.00 O ATOM 593 CB SER A 125 -7.987 4.238 13.550 1.00 0.00 C ATOM 594 OG SER A 125 -7.909 5.533 14.132 1.00 0.00 O ATOM 0 H SER A 125 -7.296 5.680 11.660 1.00 0.00 H new ATOM 0 HA SER A 125 -5.887 3.798 13.355 1.00 0.00 H new ATOM 0 HB2 SER A 125 -8.881 4.164 12.931 1.00 0.00 H new ATOM 0 HB3 SER A 125 -8.079 3.486 14.333 1.00 0.00 H new ATOM 0 HG SER A 125 -8.712 5.699 14.669 1.00 0.00 H new ATOM 600 N SER A 126 -6.741 1.534 12.506 1.00 0.00 N ATOM 601 CA SER A 126 -6.825 0.256 11.809 1.00 0.00 C ATOM 602 C SER A 126 -8.150 0.102 11.062 1.00 0.00 C ATOM 603 O SER A 126 -8.166 -0.285 9.889 1.00 0.00 O ATOM 604 CB SER A 126 -6.641 -0.891 12.806 1.00 0.00 C ATOM 605 OG SER A 126 -5.413 -0.759 13.499 1.00 0.00 O ATOM 0 H SER A 126 -6.516 1.457 13.498 1.00 0.00 H new ATOM 0 HA SER A 126 -6.027 0.225 11.067 1.00 0.00 H new ATOM 0 HB2 SER A 126 -7.467 -0.897 13.517 1.00 0.00 H new ATOM 0 HB3 SER A 126 -6.667 -1.845 12.279 1.00 0.00 H new ATOM 0 HG SER A 126 -5.314 -1.500 14.133 1.00 0.00 H new ATOM 611 N GLU A 127 -9.250 0.440 11.736 1.00 0.00 N ATOM 612 CA GLU A 127 -10.584 0.322 11.152 1.00 0.00 C ATOM 613 C GLU A 127 -10.690 1.126 9.859 1.00 0.00 C ATOM 614 O GLU A 127 -11.219 0.634 8.860 1.00 0.00 O ATOM 615 CB GLU A 127 -11.651 0.787 12.147 1.00 0.00 C ATOM 616 CG GLU A 127 -13.069 0.609 11.636 1.00 0.00 C ATOM 617 CD GLU A 127 -14.113 1.076 12.624 1.00 0.00 C ATOM 618 OE1 GLU A 127 -14.381 0.346 13.602 1.00 0.00 O ATOM 619 OE2 GLU A 127 -14.676 2.170 12.430 1.00 0.00 O ATOM 0 H GLU A 127 -9.242 0.799 12.691 1.00 0.00 H new ATOM 0 HA GLU A 127 -10.753 -0.729 10.919 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -11.536 0.232 13.078 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -11.486 1.839 12.380 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -13.186 1.161 10.703 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -13.238 -0.443 11.407 1.00 0.00 H new ATOM 626 N ASP A 128 -10.166 2.350 9.879 1.00 0.00 N ATOM 627 CA ASP A 128 -10.202 3.228 8.708 1.00 0.00 C ATOM 628 C ASP A 128 -9.449 2.605 7.547 1.00 0.00 C ATOM 629 O ASP A 128 -9.836 2.747 6.389 1.00 0.00 O ATOM 630 CB ASP A 128 -9.596 4.600 9.029 1.00 0.00 C ATOM 631 CG ASP A 128 -10.480 5.430 9.931 1.00 0.00 C ATOM 632 OD1 ASP A 128 -10.337 5.331 11.167 1.00 0.00 O ATOM 633 OD2 ASP A 128 -11.318 6.200 9.406 1.00 0.00 O ATOM 0 H ASP A 128 -9.710 2.758 10.695 1.00 0.00 H new ATOM 0 HA ASP A 128 -11.247 3.360 8.429 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -8.625 4.462 9.505 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -9.421 5.142 8.100 1.00 0.00 H new ATOM 638 N LEU A 129 -8.372 1.906 7.866 1.00 0.00 N ATOM 639 CA LEU A 129 -7.537 1.298 6.846 1.00 0.00 C ATOM 640 C LEU A 129 -8.205 0.053 6.293 1.00 0.00 C ATOM 641 O LEU A 129 -8.256 -0.151 5.081 1.00 0.00 O ATOM 642 CB LEU A 129 -6.160 0.935 7.406 1.00 0.00 C ATOM 643 CG LEU A 129 -5.511 1.985 8.307 1.00 0.00 C ATOM 644 CD1 LEU A 129 -4.043 1.671 8.503 1.00 0.00 C ATOM 645 CD2 LEU A 129 -5.690 3.386 7.746 1.00 0.00 C ATOM 0 H LEU A 129 -8.057 1.746 8.823 1.00 0.00 H new ATOM 0 HA LEU A 129 -7.405 2.025 6.045 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -6.251 0.006 7.969 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -5.489 0.736 6.570 1.00 0.00 H new ATOM 0 HG LEU A 129 -6.010 1.953 9.276 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -3.592 2.426 9.147 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -3.940 0.690 8.967 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -3.539 1.670 7.537 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -5.216 4.108 8.412 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -5.229 3.445 6.760 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -6.753 3.612 7.663 1.00 0.00 H new ATOM 657 N ASP A 130 -8.736 -0.762 7.194 1.00 0.00 N ATOM 658 CA ASP A 130 -9.348 -2.032 6.825 1.00 0.00 C ATOM 659 C ASP A 130 -10.584 -1.803 5.959 1.00 0.00 C ATOM 660 O ASP A 130 -10.870 -2.581 5.051 1.00 0.00 O ATOM 661 CB ASP A 130 -9.712 -2.822 8.080 1.00 0.00 C ATOM 662 CG ASP A 130 -9.986 -4.281 7.782 1.00 0.00 C ATOM 663 OD1 ASP A 130 -9.014 -5.061 7.664 1.00 0.00 O ATOM 664 OD2 ASP A 130 -11.167 -4.661 7.687 1.00 0.00 O ATOM 0 H ASP A 130 -8.755 -0.564 8.194 1.00 0.00 H new ATOM 0 HA ASP A 130 -8.629 -2.609 6.244 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -8.899 -2.748 8.802 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -10.592 -2.377 8.544 1.00 0.00 H new ATOM 669 N ALA A 131 -11.295 -0.708 6.226 1.00 0.00 N ATOM 670 CA ALA A 131 -12.475 -0.348 5.444 1.00 0.00 C ATOM 671 C ALA A 131 -12.094 -0.049 3.997 1.00 0.00 C ATOM 672 O ALA A 131 -12.880 -0.272 3.075 1.00 0.00 O ATOM 673 CB ALA A 131 -13.180 0.847 6.069 1.00 0.00 C ATOM 0 H ALA A 131 -11.074 -0.055 6.978 1.00 0.00 H new ATOM 0 HA ALA A 131 -13.160 -1.196 5.447 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -14.057 1.103 5.475 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -13.489 0.597 7.084 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -12.499 1.698 6.096 1.00 0.00 H new ATOM 679 N MET A 132 -10.887 0.465 3.803 1.00 0.00 N ATOM 680 CA MET A 132 -10.374 0.724 2.466 1.00 0.00 C ATOM 681 C MET A 132 -9.774 -0.549 1.877 1.00 0.00 C ATOM 682 O MET A 132 -9.846 -0.784 0.672 1.00 0.00 O ATOM 683 CB MET A 132 -9.332 1.845 2.495 1.00 0.00 C ATOM 684 CG MET A 132 -9.887 3.170 2.991 1.00 0.00 C ATOM 685 SD MET A 132 -8.647 4.480 3.032 1.00 0.00 S ATOM 686 CE MET A 132 -7.462 3.799 4.191 1.00 0.00 C ATOM 0 H MET A 132 -10.245 0.711 4.556 1.00 0.00 H new ATOM 0 HA MET A 132 -11.201 1.045 1.833 1.00 0.00 H new ATOM 0 HB2 MET A 132 -8.503 1.544 3.135 1.00 0.00 H new ATOM 0 HB3 MET A 132 -8.927 1.981 1.492 1.00 0.00 H new ATOM 0 HG2 MET A 132 -10.711 3.477 2.347 1.00 0.00 H new ATOM 0 HG3 MET A 132 -10.298 3.034 3.991 1.00 0.00 H new ATOM 0 HE1 MET A 132 -6.579 4.437 4.225 1.00 0.00 H new ATOM 0 HE2 MET A 132 -7.911 3.748 5.183 1.00 0.00 H new ATOM 0 HE3 MET A 132 -7.174 2.798 3.871 1.00 0.00 H new ATOM 696 N ILE A 133 -9.200 -1.374 2.749 1.00 0.00 N ATOM 697 CA ILE A 133 -8.640 -2.664 2.356 1.00 0.00 C ATOM 698 C ILE A 133 -9.712 -3.558 1.742 1.00 0.00 C ATOM 699 O ILE A 133 -9.459 -4.280 0.777 1.00 0.00 O ATOM 700 CB ILE A 133 -7.994 -3.377 3.571 1.00 0.00 C ATOM 701 CG1 ILE A 133 -6.724 -2.643 4.008 1.00 0.00 C ATOM 702 CG2 ILE A 133 -7.694 -4.837 3.262 1.00 0.00 C ATOM 703 CD1 ILE A 133 -5.663 -2.559 2.930 1.00 0.00 C ATOM 0 H ILE A 133 -9.110 -1.168 3.744 1.00 0.00 H new ATOM 0 HA ILE A 133 -7.870 -2.477 1.608 1.00 0.00 H new ATOM 0 HB ILE A 133 -8.709 -3.354 4.393 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -6.989 -1.634 4.323 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -6.305 -3.148 4.878 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -7.242 -5.308 4.135 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -8.620 -5.353 3.010 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -7.005 -4.896 2.420 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -4.794 -2.025 3.315 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -5.368 -3.565 2.631 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -6.063 -2.027 2.067 1.00 0.00 H new ATOM 715 N ASP A 134 -10.916 -3.479 2.300 1.00 0.00 N ATOM 716 CA ASP A 134 -12.065 -4.243 1.810 1.00 0.00 C ATOM 717 C ASP A 134 -12.317 -3.989 0.321 1.00 0.00 C ATOM 718 O ASP A 134 -12.753 -4.880 -0.408 1.00 0.00 O ATOM 719 CB ASP A 134 -13.313 -3.885 2.625 1.00 0.00 C ATOM 720 CG ASP A 134 -14.576 -4.524 2.083 1.00 0.00 C ATOM 721 OD1 ASP A 134 -14.804 -5.724 2.349 1.00 0.00 O ATOM 722 OD2 ASP A 134 -15.357 -3.823 1.408 1.00 0.00 O ATOM 0 H ASP A 134 -11.125 -2.886 3.103 1.00 0.00 H new ATOM 0 HA ASP A 134 -11.842 -5.303 1.932 1.00 0.00 H new ATOM 0 HB2 ASP A 134 -13.168 -4.199 3.659 1.00 0.00 H new ATOM 0 HB3 ASP A 134 -13.436 -2.802 2.635 1.00 0.00 H new ATOM 727 N GLU A 135 -12.020 -2.777 -0.130 1.00 0.00 N ATOM 728 CA GLU A 135 -12.237 -2.403 -1.520 1.00 0.00 C ATOM 729 C GLU A 135 -11.103 -2.930 -2.402 1.00 0.00 C ATOM 730 O GLU A 135 -11.293 -3.197 -3.590 1.00 0.00 O ATOM 731 CB GLU A 135 -12.334 -0.880 -1.640 1.00 0.00 C ATOM 732 CG GLU A 135 -12.825 -0.401 -2.994 1.00 0.00 C ATOM 733 CD GLU A 135 -14.229 -0.885 -3.304 1.00 0.00 C ATOM 734 OE1 GLU A 135 -15.159 -0.555 -2.537 1.00 0.00 O ATOM 735 OE2 GLU A 135 -14.410 -1.589 -4.319 1.00 0.00 O ATOM 0 H GLU A 135 -11.627 -2.035 0.449 1.00 0.00 H new ATOM 0 HA GLU A 135 -13.172 -2.848 -1.859 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -13.006 -0.506 -0.867 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -11.353 -0.447 -1.446 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -12.805 0.689 -3.020 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -12.143 -0.751 -3.769 1.00 0.00 H new ATOM 742 N ILE A 136 -9.928 -3.090 -1.806 1.00 0.00 N ATOM 743 CA ILE A 136 -8.742 -3.513 -2.541 1.00 0.00 C ATOM 744 C ILE A 136 -8.670 -5.037 -2.640 1.00 0.00 C ATOM 745 O ILE A 136 -8.307 -5.589 -3.679 1.00 0.00 O ATOM 746 CB ILE A 136 -7.454 -2.982 -1.874 1.00 0.00 C ATOM 747 CG1 ILE A 136 -7.526 -1.460 -1.725 1.00 0.00 C ATOM 748 CG2 ILE A 136 -6.224 -3.380 -2.682 1.00 0.00 C ATOM 749 CD1 ILE A 136 -6.341 -0.861 -0.999 1.00 0.00 C ATOM 0 H ILE A 136 -9.770 -2.932 -0.811 1.00 0.00 H new ATOM 0 HA ILE A 136 -8.820 -3.095 -3.545 1.00 0.00 H new ATOM 0 HB ILE A 136 -7.369 -3.428 -0.883 1.00 0.00 H new ATOM 0 HG12 ILE A 136 -7.599 -1.010 -2.715 1.00 0.00 H new ATOM 0 HG13 ILE A 136 -8.438 -1.199 -1.189 1.00 0.00 H new ATOM 0 HG21 ILE A 136 -5.328 -2.996 -2.194 1.00 0.00 H new ATOM 0 HG22 ILE A 136 -6.165 -4.467 -2.744 1.00 0.00 H new ATOM 0 HG23 ILE A 136 -6.298 -2.963 -3.686 1.00 0.00 H new ATOM 0 HD11 ILE A 136 -6.464 0.220 -0.932 1.00 0.00 H new ATOM 0 HD12 ILE A 136 -6.279 -1.282 0.005 1.00 0.00 H new ATOM 0 HD13 ILE A 136 -5.426 -1.089 -1.546 1.00 0.00 H new ATOM 761 N ASP A 137 -9.021 -5.712 -1.549 1.00 0.00 N ATOM 762 CA ASP A 137 -8.983 -7.172 -1.508 1.00 0.00 C ATOM 763 C ASP A 137 -9.998 -7.787 -2.457 1.00 0.00 C ATOM 764 O ASP A 137 -11.207 -7.570 -2.332 1.00 0.00 O ATOM 765 CB ASP A 137 -9.208 -7.688 -0.083 1.00 0.00 C ATOM 766 CG ASP A 137 -9.660 -9.140 -0.044 1.00 0.00 C ATOM 767 OD1 ASP A 137 -9.094 -9.970 -0.787 1.00 0.00 O ATOM 768 OD2 ASP A 137 -10.589 -9.451 0.732 1.00 0.00 O ATOM 0 H ASP A 137 -9.334 -5.273 -0.683 1.00 0.00 H new ATOM 0 HA ASP A 137 -7.989 -7.477 -1.836 1.00 0.00 H new ATOM 0 HB2 ASP A 137 -8.284 -7.585 0.486 1.00 0.00 H new ATOM 0 HB3 ASP A 137 -9.956 -7.066 0.409 1.00 0.00 H new ATOM 773 N ALA A 138 -9.483 -8.534 -3.418 1.00 0.00 N ATOM 774 CA ALA A 138 -10.307 -9.283 -4.345 1.00 0.00 C ATOM 775 C ALA A 138 -9.501 -10.409 -4.978 1.00 0.00 C ATOM 776 O ALA A 138 -9.870 -10.927 -6.029 1.00 0.00 O ATOM 777 CB ALA A 138 -10.869 -8.365 -5.422 1.00 0.00 C ATOM 0 H ALA A 138 -8.481 -8.637 -3.576 1.00 0.00 H new ATOM 0 HA ALA A 138 -11.140 -9.718 -3.793 1.00 0.00 H new ATOM 0 HB1 ALA A 138 -11.485 -8.945 -6.109 1.00 0.00 H new ATOM 0 HB2 ALA A 138 -11.476 -7.588 -4.957 1.00 0.00 H new ATOM 0 HB3 ALA A 138 -10.048 -7.904 -5.972 1.00 0.00 H new ATOM 783 N ASP A 139 -8.389 -10.793 -4.345 1.00 0.00 N ATOM 784 CA ASP A 139 -7.528 -11.815 -4.934 1.00 0.00 C ATOM 785 C ASP A 139 -7.451 -13.059 -4.048 1.00 0.00 C ATOM 786 O ASP A 139 -8.368 -13.878 -4.049 1.00 0.00 O ATOM 787 CB ASP A 139 -6.131 -11.251 -5.220 1.00 0.00 C ATOM 788 CG ASP A 139 -5.253 -12.210 -6.004 1.00 0.00 C ATOM 789 OD1 ASP A 139 -5.478 -12.376 -7.220 1.00 0.00 O ATOM 790 OD2 ASP A 139 -4.321 -12.793 -5.408 1.00 0.00 O ATOM 0 H ASP A 139 -8.072 -10.422 -3.449 1.00 0.00 H new ATOM 0 HA ASP A 139 -7.971 -12.118 -5.883 1.00 0.00 H new ATOM 0 HB2 ASP A 139 -6.229 -10.319 -5.777 1.00 0.00 H new ATOM 0 HB3 ASP A 139 -5.643 -11.009 -4.276 1.00 0.00 H new ATOM 795 N GLY A 140 -6.382 -13.186 -3.273 1.00 0.00 N ATOM 796 CA GLY A 140 -6.212 -14.356 -2.432 1.00 0.00 C ATOM 797 C GLY A 140 -6.405 -14.038 -0.966 1.00 0.00 C ATOM 798 O GLY A 140 -5.439 -13.991 -0.200 1.00 0.00 O ATOM 0 H GLY A 140 -5.629 -12.500 -3.211 1.00 0.00 H new ATOM 0 HA2 GLY A 140 -6.925 -15.124 -2.732 1.00 0.00 H new ATOM 0 HA3 GLY A 140 -5.215 -14.769 -2.584 1.00 0.00 H new ATOM 802 N SER A 141 -7.658 -13.787 -0.589 1.00 0.00 N ATOM 803 CA SER A 141 -8.021 -13.454 0.790 1.00 0.00 C ATOM 804 C SER A 141 -7.398 -12.126 1.215 1.00 0.00 C ATOM 805 O SER A 141 -7.390 -11.781 2.396 1.00 0.00 O ATOM 806 CB SER A 141 -7.603 -14.572 1.751 1.00 0.00 C ATOM 807 OG SER A 141 -8.201 -15.810 1.391 1.00 0.00 O ATOM 0 H SER A 141 -8.451 -13.808 -1.230 1.00 0.00 H new ATOM 0 HA SER A 141 -9.105 -13.352 0.832 1.00 0.00 H new ATOM 0 HB2 SER A 141 -6.518 -14.674 1.744 1.00 0.00 H new ATOM 0 HB3 SER A 141 -7.892 -14.308 2.768 1.00 0.00 H new ATOM 0 HG SER A 141 -7.916 -16.506 2.019 1.00 0.00 H new ATOM 813 N GLY A 142 -6.897 -11.379 0.244 1.00 0.00 N ATOM 814 CA GLY A 142 -6.269 -10.112 0.533 1.00 0.00 C ATOM 815 C GLY A 142 -4.823 -10.089 0.103 1.00 0.00 C ATOM 816 O GLY A 142 -3.922 -10.130 0.942 1.00 0.00 O ATOM 0 H GLY A 142 -6.916 -11.631 -0.744 1.00 0.00 H new ATOM 0 HA2 GLY A 142 -6.811 -9.314 0.026 1.00 0.00 H new ATOM 0 HA3 GLY A 142 -6.333 -9.911 1.602 1.00 0.00 H new ATOM 820 N THR A 143 -4.592 -10.052 -1.199 1.00 0.00 N ATOM 821 CA THR A 143 -3.237 -9.971 -1.717 1.00 0.00 C ATOM 822 C THR A 143 -3.080 -8.784 -2.658 1.00 0.00 C ATOM 823 O THR A 143 -3.809 -8.659 -3.643 1.00 0.00 O ATOM 824 CB THR A 143 -2.845 -11.267 -2.439 1.00 0.00 C ATOM 825 OG1 THR A 143 -4.013 -11.876 -3.000 1.00 0.00 O ATOM 826 CG2 THR A 143 -2.157 -12.238 -1.491 1.00 0.00 C ATOM 0 H THR A 143 -5.320 -10.077 -1.913 1.00 0.00 H new ATOM 0 HA THR A 143 -2.570 -9.831 -0.866 1.00 0.00 H new ATOM 0 HB THR A 143 -2.143 -11.019 -3.235 1.00 0.00 H new ATOM 0 HG1 THR A 143 -3.796 -12.251 -3.879 1.00 0.00 H new ATOM 0 HG21 THR A 143 -1.891 -13.147 -2.031 1.00 0.00 H new ATOM 0 HG22 THR A 143 -1.254 -11.777 -1.090 1.00 0.00 H new ATOM 0 HG23 THR A 143 -2.832 -12.487 -0.672 1.00 0.00 H new ATOM 834 N VAL A 144 -2.143 -7.905 -2.334 1.00 0.00 N ATOM 835 CA VAL A 144 -1.886 -6.728 -3.148 1.00 0.00 C ATOM 836 C VAL A 144 -0.534 -6.862 -3.841 1.00 0.00 C ATOM 837 O VAL A 144 0.445 -7.282 -3.222 1.00 0.00 O ATOM 838 CB VAL A 144 -1.892 -5.443 -2.287 1.00 0.00 C ATOM 839 CG1 VAL A 144 -1.707 -4.202 -3.146 1.00 0.00 C ATOM 840 CG2 VAL A 144 -3.174 -5.345 -1.473 1.00 0.00 C ATOM 0 H VAL A 144 -1.547 -7.986 -1.510 1.00 0.00 H new ATOM 0 HA VAL A 144 -2.679 -6.653 -3.892 1.00 0.00 H new ATOM 0 HB VAL A 144 -1.050 -5.501 -1.598 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -1.716 -3.316 -2.512 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -0.754 -4.262 -3.672 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -2.518 -4.137 -3.871 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -3.157 -4.434 -0.875 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -4.031 -5.321 -2.146 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -3.254 -6.210 -0.814 1.00 0.00 H new ATOM 850 N ASP A 145 -0.483 -6.526 -5.125 1.00 0.00 N ATOM 851 CA ASP A 145 0.763 -6.589 -5.875 1.00 0.00 C ATOM 852 C ASP A 145 1.440 -5.220 -5.899 1.00 0.00 C ATOM 853 O ASP A 145 0.982 -4.284 -5.243 1.00 0.00 O ATOM 854 CB ASP A 145 0.516 -7.081 -7.304 1.00 0.00 C ATOM 855 CG ASP A 145 -0.179 -6.051 -8.168 1.00 0.00 C ATOM 856 OD1 ASP A 145 -1.421 -5.988 -8.142 1.00 0.00 O ATOM 857 OD2 ASP A 145 0.525 -5.304 -8.879 1.00 0.00 O ATOM 0 H ASP A 145 -1.288 -6.208 -5.666 1.00 0.00 H new ATOM 0 HA ASP A 145 1.423 -7.299 -5.377 1.00 0.00 H new ATOM 0 HB2 ASP A 145 1.469 -7.348 -7.761 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -0.088 -7.988 -7.272 1.00 0.00 H new ATOM 862 N PHE A 146 2.515 -5.096 -6.668 1.00 0.00 N ATOM 863 CA PHE A 146 3.320 -3.881 -6.660 1.00 0.00 C ATOM 864 C PHE A 146 2.583 -2.681 -7.263 1.00 0.00 C ATOM 865 O PHE A 146 2.558 -1.606 -6.662 1.00 0.00 O ATOM 866 CB PHE A 146 4.665 -4.111 -7.370 1.00 0.00 C ATOM 867 CG PHE A 146 4.559 -4.692 -8.752 1.00 0.00 C ATOM 868 CD1 PHE A 146 4.478 -6.063 -8.934 1.00 0.00 C ATOM 869 CD2 PHE A 146 4.559 -3.871 -9.866 1.00 0.00 C ATOM 870 CE1 PHE A 146 4.388 -6.601 -10.201 1.00 0.00 C ATOM 871 CE2 PHE A 146 4.469 -4.404 -11.136 1.00 0.00 C ATOM 872 CZ PHE A 146 4.386 -5.773 -11.303 1.00 0.00 C ATOM 0 H PHE A 146 2.849 -5.820 -7.304 1.00 0.00 H new ATOM 0 HA PHE A 146 3.513 -3.638 -5.615 1.00 0.00 H new ATOM 0 HB2 PHE A 146 5.195 -3.160 -7.431 1.00 0.00 H new ATOM 0 HB3 PHE A 146 5.274 -4.776 -6.758 1.00 0.00 H new ATOM 0 HD1 PHE A 146 4.485 -6.717 -8.075 1.00 0.00 H new ATOM 0 HD2 PHE A 146 4.630 -2.801 -9.740 1.00 0.00 H new ATOM 0 HE1 PHE A 146 4.319 -7.671 -10.330 1.00 0.00 H new ATOM 0 HE2 PHE A 146 4.463 -3.752 -11.997 1.00 0.00 H new ATOM 0 HZ PHE A 146 4.320 -6.194 -12.295 1.00 0.00 H new ATOM 882 N GLU A 147 1.957 -2.854 -8.426 1.00 0.00 N ATOM 883 CA GLU A 147 1.357 -1.718 -9.117 1.00 0.00 C ATOM 884 C GLU A 147 -0.036 -1.417 -8.587 1.00 0.00 C ATOM 885 O GLU A 147 -0.523 -0.299 -8.721 1.00 0.00 O ATOM 886 CB GLU A 147 1.339 -1.921 -10.635 1.00 0.00 C ATOM 887 CG GLU A 147 0.670 -3.199 -11.101 1.00 0.00 C ATOM 888 CD GLU A 147 0.640 -3.299 -12.609 1.00 0.00 C ATOM 889 OE1 GLU A 147 1.705 -3.544 -13.213 1.00 0.00 O ATOM 890 OE2 GLU A 147 -0.443 -3.116 -13.202 1.00 0.00 O ATOM 0 H GLU A 147 1.854 -3.751 -8.900 1.00 0.00 H new ATOM 0 HA GLU A 147 1.985 -0.851 -8.912 1.00 0.00 H new ATOM 0 HB2 GLU A 147 0.830 -1.074 -11.094 1.00 0.00 H new ATOM 0 HB3 GLU A 147 2.366 -1.912 -11.000 1.00 0.00 H new ATOM 0 HG2 GLU A 147 1.201 -4.058 -10.690 1.00 0.00 H new ATOM 0 HG3 GLU A 147 -0.348 -3.238 -10.714 1.00 0.00 H new ATOM 897 N GLU A 148 -0.672 -2.405 -7.970 1.00 0.00 N ATOM 898 CA GLU A 148 -1.930 -2.166 -7.285 1.00 0.00 C ATOM 899 C GLU A 148 -1.688 -1.201 -6.131 1.00 0.00 C ATOM 900 O GLU A 148 -2.464 -0.272 -5.895 1.00 0.00 O ATOM 901 CB GLU A 148 -2.517 -3.475 -6.760 1.00 0.00 C ATOM 902 CG GLU A 148 -3.999 -3.392 -6.447 1.00 0.00 C ATOM 903 CD GLU A 148 -4.832 -3.115 -7.682 1.00 0.00 C ATOM 904 OE1 GLU A 148 -5.148 -4.077 -8.414 1.00 0.00 O ATOM 905 OE2 GLU A 148 -5.159 -1.937 -7.942 1.00 0.00 O ATOM 0 H GLU A 148 -0.340 -3.369 -7.931 1.00 0.00 H new ATOM 0 HA GLU A 148 -2.644 -1.734 -7.986 1.00 0.00 H new ATOM 0 HB2 GLU A 148 -2.353 -4.259 -7.499 1.00 0.00 H new ATOM 0 HB3 GLU A 148 -1.979 -3.769 -5.859 1.00 0.00 H new ATOM 0 HG2 GLU A 148 -4.325 -4.328 -5.993 1.00 0.00 H new ATOM 0 HG3 GLU A 148 -4.170 -2.605 -5.712 1.00 0.00 H new ATOM 912 N PHE A 149 -0.579 -1.423 -5.430 1.00 0.00 N ATOM 913 CA PHE A 149 -0.144 -0.539 -4.360 1.00 0.00 C ATOM 914 C PHE A 149 0.140 0.855 -4.916 1.00 0.00 C ATOM 915 O PHE A 149 -0.195 1.866 -4.297 1.00 0.00 O ATOM 916 CB PHE A 149 1.110 -1.118 -3.692 1.00 0.00 C ATOM 917 CG PHE A 149 1.587 -0.349 -2.491 1.00 0.00 C ATOM 918 CD1 PHE A 149 1.030 -0.577 -1.241 1.00 0.00 C ATOM 919 CD2 PHE A 149 2.597 0.594 -2.608 1.00 0.00 C ATOM 920 CE1 PHE A 149 1.469 0.122 -0.134 1.00 0.00 C ATOM 921 CE2 PHE A 149 3.041 1.295 -1.503 1.00 0.00 C ATOM 922 CZ PHE A 149 2.477 1.058 -0.265 1.00 0.00 C ATOM 0 H PHE A 149 0.039 -2.219 -5.589 1.00 0.00 H new ATOM 0 HA PHE A 149 -0.935 -0.458 -3.614 1.00 0.00 H new ATOM 0 HB2 PHE A 149 0.905 -2.146 -3.392 1.00 0.00 H new ATOM 0 HB3 PHE A 149 1.914 -1.155 -4.427 1.00 0.00 H new ATOM 0 HD1 PHE A 149 0.244 -1.310 -1.132 1.00 0.00 H new ATOM 0 HD2 PHE A 149 3.042 0.783 -3.574 1.00 0.00 H new ATOM 0 HE1 PHE A 149 1.025 -0.063 0.833 1.00 0.00 H new ATOM 0 HE2 PHE A 149 3.828 2.027 -1.607 1.00 0.00 H new ATOM 0 HZ PHE A 149 2.823 1.604 0.600 1.00 0.00 H new ATOM 932 N MET A 150 0.743 0.891 -6.101 1.00 0.00 N ATOM 933 CA MET A 150 1.044 2.149 -6.776 1.00 0.00 C ATOM 934 C MET A 150 -0.234 2.900 -7.111 1.00 0.00 C ATOM 935 O MET A 150 -0.381 4.069 -6.760 1.00 0.00 O ATOM 936 CB MET A 150 1.839 1.911 -8.062 1.00 0.00 C ATOM 937 CG MET A 150 3.175 1.233 -7.839 1.00 0.00 C ATOM 938 SD MET A 150 4.239 2.151 -6.714 1.00 0.00 S ATOM 939 CE MET A 150 5.632 1.030 -6.615 1.00 0.00 C ATOM 0 H MET A 150 1.034 0.059 -6.615 1.00 0.00 H new ATOM 0 HA MET A 150 1.647 2.747 -6.093 1.00 0.00 H new ATOM 0 HB2 MET A 150 1.241 1.301 -8.740 1.00 0.00 H new ATOM 0 HB3 MET A 150 2.006 2.868 -8.557 1.00 0.00 H new ATOM 0 HG2 MET A 150 3.008 0.232 -7.440 1.00 0.00 H new ATOM 0 HG3 MET A 150 3.682 1.114 -8.797 1.00 0.00 H new ATOM 0 HE1 MET A 150 5.885 0.855 -5.569 1.00 0.00 H new ATOM 0 HE2 MET A 150 5.372 0.083 -7.088 1.00 0.00 H new ATOM 0 HE3 MET A 150 6.489 1.468 -7.127 1.00 0.00 H new ATOM 949 N GLY A 151 -1.158 2.215 -7.781 1.00 0.00 N ATOM 950 CA GLY A 151 -2.402 2.830 -8.208 1.00 0.00 C ATOM 951 C GLY A 151 -3.160 3.489 -7.074 1.00 0.00 C ATOM 952 O GLY A 151 -3.708 4.578 -7.237 1.00 0.00 O ATOM 0 H GLY A 151 -1.064 1.232 -8.038 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -2.188 3.575 -8.975 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -3.036 2.072 -8.668 1.00 0.00 H new ATOM 956 N VAL A 152 -3.185 2.839 -5.922 1.00 0.00 N ATOM 957 CA VAL A 152 -3.864 3.386 -4.753 1.00 0.00 C ATOM 958 C VAL A 152 -3.141 4.630 -4.236 1.00 0.00 C ATOM 959 O VAL A 152 -3.755 5.674 -4.032 1.00 0.00 O ATOM 960 CB VAL A 152 -3.964 2.341 -3.617 1.00 0.00 C ATOM 961 CG1 VAL A 152 -4.657 2.928 -2.395 1.00 0.00 C ATOM 962 CG2 VAL A 152 -4.696 1.097 -4.094 1.00 0.00 C ATOM 0 H VAL A 152 -2.744 1.932 -5.769 1.00 0.00 H new ATOM 0 HA VAL A 152 -4.872 3.659 -5.066 1.00 0.00 H new ATOM 0 HB VAL A 152 -2.951 2.059 -3.332 1.00 0.00 H new ATOM 0 HG11 VAL A 152 -4.714 2.173 -1.611 1.00 0.00 H new ATOM 0 HG12 VAL A 152 -4.090 3.785 -2.032 1.00 0.00 H new ATOM 0 HG13 VAL A 152 -5.664 3.247 -2.666 1.00 0.00 H new ATOM 0 HG21 VAL A 152 -4.755 0.375 -3.280 1.00 0.00 H new ATOM 0 HG22 VAL A 152 -5.703 1.367 -4.413 1.00 0.00 H new ATOM 0 HG23 VAL A 152 -4.156 0.656 -4.932 1.00 0.00 H new ATOM 972 N MET A 153 -1.830 4.519 -4.064 1.00 0.00 N ATOM 973 CA MET A 153 -1.037 5.594 -3.471 1.00 0.00 C ATOM 974 C MET A 153 -0.895 6.792 -4.409 1.00 0.00 C ATOM 975 O MET A 153 -0.850 7.935 -3.959 1.00 0.00 O ATOM 976 CB MET A 153 0.349 5.080 -3.076 1.00 0.00 C ATOM 977 CG MET A 153 0.339 4.133 -1.886 1.00 0.00 C ATOM 978 SD MET A 153 -0.168 4.945 -0.353 1.00 0.00 S ATOM 979 CE MET A 153 1.099 6.205 -0.201 1.00 0.00 C ATOM 0 H MET A 153 -1.290 3.694 -4.327 1.00 0.00 H new ATOM 0 HA MET A 153 -1.570 5.930 -2.581 1.00 0.00 H new ATOM 0 HB2 MET A 153 0.793 4.569 -3.930 1.00 0.00 H new ATOM 0 HB3 MET A 153 0.989 5.931 -2.845 1.00 0.00 H new ATOM 0 HG2 MET A 153 -0.336 3.303 -2.093 1.00 0.00 H new ATOM 0 HG3 MET A 153 1.335 3.709 -1.756 1.00 0.00 H new ATOM 0 HE1 MET A 153 1.374 6.320 0.847 1.00 0.00 H new ATOM 0 HE2 MET A 153 1.977 5.910 -0.776 1.00 0.00 H new ATOM 0 HE3 MET A 153 0.718 7.152 -0.582 1.00 0.00 H new