USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 403 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 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 98:sc= 0.612 USER MOD Single : A 97 THR OG1 : rot 180:sc= -2.92! USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 105 LYS NZ :NH3+ 148:sc= -0.0686 (180deg=-0.574) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.0601 K(o=-0.06,f=-2.6!) USER MOD Single : A 113 ASN : amide:sc= -0.0897 K(o=-0.09,f=-0.7) USER MOD Single : A 114 SER OG : rot 120:sc= 0.0148 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 THR OG1 : rot 180:sc= -0.559 USER MOD Single : A 130 THR OG1 : rot 180:sc= 0 USER MOD Single : A 132 TYR OH : rot -159:sc= 1.04 USER MOD Single : A 135 SER OG : rot -131:sc= 0.0739 USER MOD Single : A 136 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 33 N LEU A 86 -7.920 6.308 -9.692 1.00 0.00 N ATOM 34 CA LEU A 86 -6.529 6.839 -9.775 1.00 0.00 C ATOM 35 C LEU A 86 -6.099 7.353 -8.399 1.00 0.00 C ATOM 36 O LEU A 86 -6.521 8.404 -7.959 1.00 0.00 O ATOM 37 CB LEU A 86 -6.478 7.983 -10.788 1.00 0.00 C ATOM 38 CG LEU A 86 -5.432 7.671 -11.858 1.00 0.00 C ATOM 39 CD1 LEU A 86 -4.073 7.442 -11.194 1.00 0.00 C ATOM 40 CD2 LEU A 86 -5.844 6.408 -12.619 1.00 0.00 C ATOM 0 HA LEU A 86 -5.854 6.045 -10.094 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.456 8.118 -11.249 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.231 8.918 -10.285 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.361 8.509 -12.551 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.328 7.220 -11.958 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.778 8.339 -10.650 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.143 6.604 -10.501 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.099 6.184 -13.383 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.914 5.571 -11.924 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -6.812 6.568 -13.093 1.00 0.00 H new ATOM 52 N PHE A 87 -5.263 6.620 -7.716 1.00 0.00 N ATOM 53 CA PHE A 87 -4.809 7.066 -6.369 1.00 0.00 C ATOM 54 C PHE A 87 -3.394 7.638 -6.465 1.00 0.00 C ATOM 55 O PHE A 87 -2.649 7.329 -7.374 1.00 0.00 O ATOM 56 CB PHE A 87 -4.809 5.873 -5.410 1.00 0.00 C ATOM 57 CG PHE A 87 -6.223 5.374 -5.227 1.00 0.00 C ATOM 58 CD1 PHE A 87 -6.839 4.631 -6.242 1.00 0.00 C ATOM 59 CD2 PHE A 87 -6.916 5.655 -4.044 1.00 0.00 C ATOM 60 CE1 PHE A 87 -8.150 4.170 -6.072 1.00 0.00 C ATOM 61 CE2 PHE A 87 -8.227 5.192 -3.875 1.00 0.00 C ATOM 62 CZ PHE A 87 -8.843 4.450 -4.889 1.00 0.00 C ATOM 0 H PHE A 87 -4.875 5.732 -8.033 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.486 7.835 -5.998 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.179 5.076 -5.804 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.388 6.166 -4.448 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.303 4.414 -7.154 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.440 6.228 -3.262 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -8.627 3.598 -6.854 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -8.762 5.408 -2.962 1.00 0.00 H new ATOM 0 HZ PHE A 87 -9.854 4.093 -4.758 1.00 0.00 H new ATOM 72 N VAL A 88 -3.019 8.467 -5.531 1.00 0.00 N ATOM 73 CA VAL A 88 -1.650 9.058 -5.563 1.00 0.00 C ATOM 74 C VAL A 88 -0.921 8.713 -4.263 1.00 0.00 C ATOM 75 O VAL A 88 -1.533 8.541 -3.226 1.00 0.00 O ATOM 76 CB VAL A 88 -1.748 10.580 -5.700 1.00 0.00 C ATOM 77 CG1 VAL A 88 -0.526 11.103 -6.457 1.00 0.00 C ATOM 78 CG2 VAL A 88 -3.018 10.950 -6.471 1.00 0.00 C ATOM 0 H VAL A 88 -3.601 8.761 -4.746 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.101 8.653 -6.413 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.784 11.028 -4.707 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.595 12.186 -6.555 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.380 10.845 -5.908 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.491 10.651 -7.448 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.083 12.034 -6.566 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.985 10.500 -7.463 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.891 10.580 -5.933 1.00 0.00 H new ATOM 88 N ALA A 89 0.379 8.614 -4.308 1.00 0.00 N ATOM 89 CA ALA A 89 1.144 8.284 -3.073 1.00 0.00 C ATOM 90 C ALA A 89 1.395 9.566 -2.277 1.00 0.00 C ATOM 91 O ALA A 89 2.061 10.473 -2.737 1.00 0.00 O ATOM 92 CB ALA A 89 2.482 7.645 -3.455 1.00 0.00 C ATOM 0 H ALA A 89 0.944 8.747 -5.146 1.00 0.00 H new ATOM 0 HA ALA A 89 0.572 7.584 -2.464 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.041 7.404 -2.551 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.300 6.733 -4.024 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.058 8.343 -4.063 1.00 0.00 H new ATOM 98 N LEU A 90 0.862 9.652 -1.090 1.00 0.00 N ATOM 99 CA LEU A 90 1.065 10.880 -0.269 1.00 0.00 C ATOM 100 C LEU A 90 2.478 10.883 0.317 1.00 0.00 C ATOM 101 O LEU A 90 2.959 11.895 0.790 1.00 0.00 O ATOM 102 CB LEU A 90 0.042 10.906 0.870 1.00 0.00 C ATOM 103 CG LEU A 90 -1.319 10.447 0.347 1.00 0.00 C ATOM 104 CD1 LEU A 90 -1.797 9.243 1.159 1.00 0.00 C ATOM 105 CD2 LEU A 90 -2.329 11.589 0.486 1.00 0.00 C ATOM 0 H LEU A 90 0.295 8.926 -0.652 1.00 0.00 H new ATOM 0 HA LEU A 90 0.934 11.760 -0.899 1.00 0.00 H new ATOM 0 HB2 LEU A 90 0.369 10.256 1.681 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.035 11.913 1.280 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.230 10.165 -0.702 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.768 8.915 0.787 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.078 8.430 1.062 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.887 9.524 2.208 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.300 11.263 0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.419 11.870 1.535 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -1.988 12.448 -0.092 1.00 0.00 H new ATOM 117 N TYR A 91 3.147 9.764 0.296 1.00 0.00 N ATOM 118 CA TYR A 91 4.528 9.715 0.857 1.00 0.00 C ATOM 119 C TYR A 91 5.383 8.746 0.039 1.00 0.00 C ATOM 120 O TYR A 91 4.877 7.945 -0.721 1.00 0.00 O ATOM 121 CB TYR A 91 4.473 9.237 2.309 1.00 0.00 C ATOM 122 CG TYR A 91 3.400 9.996 3.049 1.00 0.00 C ATOM 123 CD1 TYR A 91 3.529 11.376 3.247 1.00 0.00 C ATOM 124 CD2 TYR A 91 2.277 9.321 3.541 1.00 0.00 C ATOM 125 CE1 TYR A 91 2.533 12.081 3.934 1.00 0.00 C ATOM 126 CE2 TYR A 91 1.281 10.025 4.228 1.00 0.00 C ATOM 127 CZ TYR A 91 1.410 11.405 4.424 1.00 0.00 C ATOM 128 OH TYR A 91 0.428 12.099 5.102 1.00 0.00 O ATOM 0 H TYR A 91 2.800 8.883 -0.084 1.00 0.00 H new ATOM 0 HA TYR A 91 4.968 10.712 0.815 1.00 0.00 H new ATOM 0 HB2 TYR A 91 4.266 8.167 2.343 1.00 0.00 H new ATOM 0 HB3 TYR A 91 5.439 9.390 2.790 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.397 11.897 2.870 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.179 8.256 3.391 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.632 13.146 4.086 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.414 9.504 4.606 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.282 11.480 5.373 1.00 0.00 H new ATOM 138 N ASP A 92 6.678 8.811 0.194 1.00 0.00 N ATOM 139 CA ASP A 92 7.566 7.890 -0.568 1.00 0.00 C ATOM 140 C ASP A 92 7.533 6.507 0.083 1.00 0.00 C ATOM 141 O ASP A 92 6.906 6.308 1.105 1.00 0.00 O ATOM 142 CB ASP A 92 8.998 8.430 -0.552 1.00 0.00 C ATOM 143 CG ASP A 92 9.041 9.791 -1.249 1.00 0.00 C ATOM 144 OD1 ASP A 92 8.519 10.739 -0.685 1.00 0.00 O ATOM 145 OD2 ASP A 92 9.593 9.863 -2.334 1.00 0.00 O ATOM 0 H ASP A 92 7.158 9.462 0.815 1.00 0.00 H new ATOM 0 HA ASP A 92 7.220 7.817 -1.599 1.00 0.00 H new ATOM 0 HB2 ASP A 92 9.350 8.525 0.475 1.00 0.00 H new ATOM 0 HB3 ASP A 92 9.667 7.731 -1.055 1.00 0.00 H new ATOM 150 N TYR A 93 8.199 5.548 -0.497 1.00 0.00 N ATOM 151 CA TYR A 93 8.197 4.183 0.099 1.00 0.00 C ATOM 152 C TYR A 93 9.270 3.325 -0.575 1.00 0.00 C ATOM 153 O TYR A 93 9.274 3.151 -1.778 1.00 0.00 O ATOM 154 CB TYR A 93 6.826 3.538 -0.111 1.00 0.00 C ATOM 155 CG TYR A 93 6.818 2.165 0.514 1.00 0.00 C ATOM 156 CD1 TYR A 93 6.700 2.028 1.902 1.00 0.00 C ATOM 157 CD2 TYR A 93 6.928 1.027 -0.295 1.00 0.00 C ATOM 158 CE1 TYR A 93 6.693 0.753 2.482 1.00 0.00 C ATOM 159 CE2 TYR A 93 6.920 -0.247 0.284 1.00 0.00 C ATOM 160 CZ TYR A 93 6.803 -0.384 1.673 1.00 0.00 C ATOM 161 OH TYR A 93 6.795 -1.640 2.243 1.00 0.00 O ATOM 0 H TYR A 93 8.742 5.649 -1.354 1.00 0.00 H new ATOM 0 HA TYR A 93 8.408 4.255 1.166 1.00 0.00 H new ATOM 0 HB2 TYR A 93 6.048 4.157 0.335 1.00 0.00 H new ATOM 0 HB3 TYR A 93 6.605 3.466 -1.176 1.00 0.00 H new ATOM 0 HD1 TYR A 93 6.614 2.905 2.526 1.00 0.00 H new ATOM 0 HD2 TYR A 93 7.019 1.133 -1.366 1.00 0.00 H new ATOM 0 HE1 TYR A 93 6.603 0.647 3.553 1.00 0.00 H new ATOM 0 HE2 TYR A 93 7.004 -1.124 -0.340 1.00 0.00 H new ATOM 0 HH TYR A 93 5.893 -2.019 2.187 1.00 0.00 H new ATOM 171 N GLU A 94 10.173 2.781 0.192 1.00 0.00 N ATOM 172 CA GLU A 94 11.238 1.928 -0.402 1.00 0.00 C ATOM 173 C GLU A 94 10.850 0.458 -0.238 1.00 0.00 C ATOM 174 O GLU A 94 10.994 -0.117 0.823 1.00 0.00 O ATOM 175 CB GLU A 94 12.564 2.191 0.314 1.00 0.00 C ATOM 176 CG GLU A 94 12.952 3.661 0.150 1.00 0.00 C ATOM 177 CD GLU A 94 14.268 3.927 0.881 1.00 0.00 C ATOM 178 OE1 GLU A 94 14.471 3.334 1.928 1.00 0.00 O ATOM 179 OE2 GLU A 94 15.051 4.719 0.382 1.00 0.00 O ATOM 0 H GLU A 94 10.219 2.891 1.205 1.00 0.00 H new ATOM 0 HA GLU A 94 11.349 2.163 -1.461 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.473 1.944 1.372 1.00 0.00 H new ATOM 0 HB3 GLU A 94 13.344 1.550 -0.097 1.00 0.00 H new ATOM 0 HG2 GLU A 94 13.056 3.905 -0.907 1.00 0.00 H new ATOM 0 HG3 GLU A 94 12.166 4.302 0.549 1.00 0.00 H new ATOM 186 N ALA A 95 10.349 -0.151 -1.276 1.00 0.00 N ATOM 187 CA ALA A 95 9.944 -1.580 -1.176 1.00 0.00 C ATOM 188 C ALA A 95 11.109 -2.412 -0.636 1.00 0.00 C ATOM 189 O ALA A 95 12.049 -2.716 -1.345 1.00 0.00 O ATOM 190 CB ALA A 95 9.549 -2.094 -2.562 1.00 0.00 C ATOM 0 H ALA A 95 10.203 0.279 -2.189 1.00 0.00 H new ATOM 0 HA ALA A 95 9.096 -1.668 -0.497 1.00 0.00 H new ATOM 0 HB1 ALA A 95 9.252 -3.140 -2.491 1.00 0.00 H new ATOM 0 HB2 ALA A 95 8.715 -1.505 -2.944 1.00 0.00 H new ATOM 0 HB3 ALA A 95 10.398 -2.003 -3.239 1.00 0.00 H new ATOM 196 N ARG A 96 11.053 -2.787 0.612 1.00 0.00 N ATOM 197 CA ARG A 96 12.153 -3.604 1.197 1.00 0.00 C ATOM 198 C ARG A 96 11.798 -5.088 1.083 1.00 0.00 C ATOM 199 O ARG A 96 12.557 -5.949 1.481 1.00 0.00 O ATOM 200 CB ARG A 96 12.337 -3.236 2.670 1.00 0.00 C ATOM 201 CG ARG A 96 12.565 -1.729 2.794 1.00 0.00 C ATOM 202 CD ARG A 96 13.986 -1.467 3.295 1.00 0.00 C ATOM 203 NE ARG A 96 14.964 -2.138 2.393 1.00 0.00 N ATOM 204 CZ ARG A 96 16.168 -2.404 2.820 1.00 0.00 C ATOM 205 NH1 ARG A 96 16.333 -3.146 3.881 1.00 0.00 N ATOM 206 NH2 ARG A 96 17.205 -1.928 2.188 1.00 0.00 N ATOM 0 H ARG A 96 10.292 -2.563 1.253 1.00 0.00 H new ATOM 0 HA ARG A 96 13.079 -3.407 0.657 1.00 0.00 H new ATOM 0 HB2 ARG A 96 11.457 -3.530 3.242 1.00 0.00 H new ATOM 0 HB3 ARG A 96 13.185 -3.779 3.088 1.00 0.00 H new ATOM 0 HG2 ARG A 96 12.414 -1.247 1.828 1.00 0.00 H new ATOM 0 HG3 ARG A 96 11.840 -1.296 3.483 1.00 0.00 H new ATOM 0 HD2 ARG A 96 14.180 -0.395 3.326 1.00 0.00 H new ATOM 0 HD3 ARG A 96 14.099 -1.841 4.313 1.00 0.00 H new ATOM 0 HE ARG A 96 14.693 -2.389 1.442 1.00 0.00 H new ATOM 0 HH11 ARG A 96 15.521 -3.517 4.375 1.00 0.00 H new ATOM 0 HH12 ARG A 96 17.273 -3.355 4.216 1.00 0.00 H new ATOM 0 HH21 ARG A 96 17.075 -1.347 1.359 1.00 0.00 H new ATOM 0 HH22 ARG A 96 18.146 -2.136 2.522 1.00 0.00 H new ATOM 220 N THR A 97 10.650 -5.395 0.543 1.00 0.00 N ATOM 221 CA THR A 97 10.248 -6.822 0.405 1.00 0.00 C ATOM 222 C THR A 97 9.997 -7.136 -1.072 1.00 0.00 C ATOM 223 O THR A 97 9.991 -6.257 -1.911 1.00 0.00 O ATOM 224 CB THR A 97 8.967 -7.073 1.206 1.00 0.00 C ATOM 225 OG1 THR A 97 7.869 -6.458 0.548 1.00 0.00 O ATOM 226 CG2 THR A 97 9.117 -6.485 2.610 1.00 0.00 C ATOM 0 H THR A 97 9.973 -4.718 0.191 1.00 0.00 H new ATOM 0 HA THR A 97 11.043 -7.464 0.785 1.00 0.00 H new ATOM 0 HB THR A 97 8.791 -8.146 1.281 1.00 0.00 H new ATOM 0 HG1 THR A 97 7.049 -6.619 1.060 1.00 0.00 H new ATOM 0 HG21 THR A 97 8.205 -6.664 3.179 1.00 0.00 H new ATOM 0 HG22 THR A 97 9.959 -6.959 3.115 1.00 0.00 H new ATOM 0 HG23 THR A 97 9.295 -5.412 2.538 1.00 0.00 H new ATOM 234 N GLU A 98 9.790 -8.382 -1.397 1.00 0.00 N ATOM 235 CA GLU A 98 9.543 -8.750 -2.819 1.00 0.00 C ATOM 236 C GLU A 98 8.042 -8.678 -3.114 1.00 0.00 C ATOM 237 O GLU A 98 7.603 -8.956 -4.212 1.00 0.00 O ATOM 238 CB GLU A 98 10.041 -10.176 -3.069 1.00 0.00 C ATOM 239 CG GLU A 98 11.564 -10.215 -2.936 1.00 0.00 C ATOM 240 CD GLU A 98 12.043 -11.668 -2.962 1.00 0.00 C ATOM 241 OE1 GLU A 98 11.895 -12.337 -1.952 1.00 0.00 O ATOM 242 OE2 GLU A 98 12.548 -12.086 -3.990 1.00 0.00 O ATOM 0 H GLU A 98 9.781 -9.161 -0.739 1.00 0.00 H new ATOM 0 HA GLU A 98 10.075 -8.057 -3.470 1.00 0.00 H new ATOM 0 HB2 GLU A 98 9.585 -10.862 -2.355 1.00 0.00 H new ATOM 0 HB3 GLU A 98 9.744 -10.507 -4.064 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.025 -9.655 -3.749 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.871 -9.737 -2.006 1.00 0.00 H new ATOM 249 N ASP A 99 7.250 -8.307 -2.145 1.00 0.00 N ATOM 250 CA ASP A 99 5.782 -8.222 -2.378 1.00 0.00 C ATOM 251 C ASP A 99 5.348 -6.757 -2.424 1.00 0.00 C ATOM 252 O ASP A 99 4.348 -6.416 -3.023 1.00 0.00 O ATOM 253 CB ASP A 99 5.042 -8.936 -1.244 1.00 0.00 C ATOM 254 CG ASP A 99 5.291 -10.442 -1.340 1.00 0.00 C ATOM 255 OD1 ASP A 99 5.365 -10.940 -2.452 1.00 0.00 O ATOM 256 OD2 ASP A 99 5.405 -11.071 -0.301 1.00 0.00 O ATOM 0 H ASP A 99 7.556 -8.060 -1.204 1.00 0.00 H new ATOM 0 HA ASP A 99 5.542 -8.699 -3.329 1.00 0.00 H new ATOM 0 HB2 ASP A 99 5.384 -8.561 -0.279 1.00 0.00 H new ATOM 0 HB3 ASP A 99 3.974 -8.729 -1.306 1.00 0.00 H new ATOM 261 N ASP A 100 6.087 -5.885 -1.795 1.00 0.00 N ATOM 262 CA ASP A 100 5.706 -4.444 -1.805 1.00 0.00 C ATOM 263 C ASP A 100 6.338 -3.754 -3.017 1.00 0.00 C ATOM 264 O ASP A 100 7.186 -4.308 -3.687 1.00 0.00 O ATOM 265 CB ASP A 100 6.200 -3.775 -0.520 1.00 0.00 C ATOM 266 CG ASP A 100 7.695 -4.044 -0.344 1.00 0.00 C ATOM 267 OD1 ASP A 100 8.348 -4.324 -1.335 1.00 0.00 O ATOM 268 OD2 ASP A 100 8.161 -3.966 0.781 1.00 0.00 O ATOM 0 H ASP A 100 6.936 -6.107 -1.276 1.00 0.00 H new ATOM 0 HA ASP A 100 4.621 -4.357 -1.865 1.00 0.00 H new ATOM 0 HB2 ASP A 100 6.016 -2.702 -0.563 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.648 -4.159 0.338 1.00 0.00 H new ATOM 273 N LEU A 101 5.925 -2.549 -3.305 1.00 0.00 N ATOM 274 CA LEU A 101 6.495 -1.822 -4.475 1.00 0.00 C ATOM 275 C LEU A 101 7.338 -0.642 -3.988 1.00 0.00 C ATOM 276 O LEU A 101 7.379 -0.340 -2.812 1.00 0.00 O ATOM 277 CB LEU A 101 5.354 -1.304 -5.353 1.00 0.00 C ATOM 278 CG LEU A 101 4.508 -2.483 -5.833 1.00 0.00 C ATOM 279 CD1 LEU A 101 3.023 -2.137 -5.708 1.00 0.00 C ATOM 280 CD2 LEU A 101 4.839 -2.785 -7.295 1.00 0.00 C ATOM 0 H LEU A 101 5.217 -2.036 -2.780 1.00 0.00 H new ATOM 0 HA LEU A 101 7.124 -2.500 -5.052 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.736 -0.604 -4.790 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.756 -0.759 -6.207 1.00 0.00 H new ATOM 0 HG LEU A 101 4.727 -3.358 -5.220 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.423 -2.980 -6.051 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.786 -1.923 -4.666 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.801 -1.261 -6.318 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.236 -3.626 -7.638 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.621 -1.909 -7.906 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.896 -3.036 -7.384 1.00 0.00 H new ATOM 292 N SER A 102 8.009 0.030 -4.884 1.00 0.00 N ATOM 293 CA SER A 102 8.847 1.193 -4.474 1.00 0.00 C ATOM 294 C SER A 102 8.509 2.396 -5.357 1.00 0.00 C ATOM 295 O SER A 102 8.288 2.263 -6.544 1.00 0.00 O ATOM 296 CB SER A 102 10.326 0.842 -4.638 1.00 0.00 C ATOM 297 OG SER A 102 10.790 1.332 -5.889 1.00 0.00 O ATOM 0 H SER A 102 8.013 -0.176 -5.883 1.00 0.00 H new ATOM 0 HA SER A 102 8.646 1.436 -3.431 1.00 0.00 H new ATOM 0 HB2 SER A 102 10.907 1.278 -3.826 1.00 0.00 H new ATOM 0 HB3 SER A 102 10.463 -0.238 -4.584 1.00 0.00 H new ATOM 0 HG SER A 102 11.738 1.110 -5.996 1.00 0.00 H new ATOM 303 N PHE A 103 8.465 3.569 -4.789 1.00 0.00 N ATOM 304 CA PHE A 103 8.140 4.776 -5.601 1.00 0.00 C ATOM 305 C PHE A 103 8.298 6.030 -4.742 1.00 0.00 C ATOM 306 O PHE A 103 8.739 5.971 -3.611 1.00 0.00 O ATOM 307 CB PHE A 103 6.697 4.682 -6.098 1.00 0.00 C ATOM 308 CG PHE A 103 5.786 4.369 -4.936 1.00 0.00 C ATOM 309 CD1 PHE A 103 5.314 5.402 -4.118 1.00 0.00 C ATOM 310 CD2 PHE A 103 5.413 3.044 -4.677 1.00 0.00 C ATOM 311 CE1 PHE A 103 4.468 5.111 -3.041 1.00 0.00 C ATOM 312 CE2 PHE A 103 4.567 2.753 -3.600 1.00 0.00 C ATOM 313 CZ PHE A 103 4.095 3.787 -2.781 1.00 0.00 C ATOM 0 H PHE A 103 8.640 3.744 -3.799 1.00 0.00 H new ATOM 0 HA PHE A 103 8.818 4.831 -6.453 1.00 0.00 H new ATOM 0 HB2 PHE A 103 6.400 5.621 -6.565 1.00 0.00 H new ATOM 0 HB3 PHE A 103 6.613 3.907 -6.860 1.00 0.00 H new ATOM 0 HD1 PHE A 103 5.602 6.423 -4.318 1.00 0.00 H new ATOM 0 HD2 PHE A 103 5.778 2.247 -5.308 1.00 0.00 H new ATOM 0 HE1 PHE A 103 4.103 5.908 -2.411 1.00 0.00 H new ATOM 0 HE2 PHE A 103 4.278 1.732 -3.401 1.00 0.00 H new ATOM 0 HZ PHE A 103 3.444 3.563 -1.949 1.00 0.00 H new ATOM 323 N HIS A 104 7.940 7.168 -5.271 1.00 0.00 N ATOM 324 CA HIS A 104 8.067 8.429 -4.487 1.00 0.00 C ATOM 325 C HIS A 104 6.694 9.092 -4.366 1.00 0.00 C ATOM 326 O HIS A 104 5.824 8.898 -5.192 1.00 0.00 O ATOM 327 CB HIS A 104 9.028 9.380 -5.201 1.00 0.00 C ATOM 328 CG HIS A 104 10.376 8.728 -5.333 1.00 0.00 C ATOM 329 ND1 HIS A 104 11.082 8.727 -6.526 1.00 0.00 N ATOM 330 CD2 HIS A 104 11.163 8.055 -4.431 1.00 0.00 C ATOM 331 CE1 HIS A 104 12.238 8.071 -6.312 1.00 0.00 C ATOM 332 NE2 HIS A 104 12.338 7.642 -5.051 1.00 0.00 N ATOM 0 H HIS A 104 7.565 7.279 -6.213 1.00 0.00 H new ATOM 0 HA HIS A 104 8.452 8.201 -3.493 1.00 0.00 H new ATOM 0 HB2 HIS A 104 8.638 9.635 -6.186 1.00 0.00 H new ATOM 0 HB3 HIS A 104 9.116 10.312 -4.642 1.00 0.00 H new ATOM 0 HD2 HIS A 104 10.908 7.874 -3.397 1.00 0.00 H new ATOM 0 HE1 HIS A 104 12.993 7.911 -7.068 1.00 0.00 H new ATOM 0 HE2 HIS A 104 13.110 7.123 -4.633 1.00 0.00 H new ATOM 340 N LYS A 105 6.494 9.876 -3.343 1.00 0.00 N ATOM 341 CA LYS A 105 5.181 10.553 -3.169 1.00 0.00 C ATOM 342 C LYS A 105 4.874 11.398 -4.407 1.00 0.00 C ATOM 343 O LYS A 105 5.622 12.287 -4.765 1.00 0.00 O ATOM 344 CB LYS A 105 5.234 11.456 -1.935 1.00 0.00 C ATOM 345 CG LYS A 105 6.174 12.634 -2.204 1.00 0.00 C ATOM 346 CD LYS A 105 6.693 13.188 -0.877 1.00 0.00 C ATOM 347 CE LYS A 105 6.556 14.712 -0.873 1.00 0.00 C ATOM 348 NZ LYS A 105 5.113 15.081 -0.909 1.00 0.00 N ATOM 0 H LYS A 105 7.185 10.077 -2.620 1.00 0.00 H new ATOM 0 HA LYS A 105 4.400 9.804 -3.039 1.00 0.00 H new ATOM 0 HB2 LYS A 105 4.235 11.821 -1.695 1.00 0.00 H new ATOM 0 HB3 LYS A 105 5.582 10.889 -1.071 1.00 0.00 H new ATOM 0 HG2 LYS A 105 7.009 12.312 -2.827 1.00 0.00 H new ATOM 0 HG3 LYS A 105 5.648 13.414 -2.755 1.00 0.00 H new ATOM 0 HD2 LYS A 105 6.131 12.759 -0.047 1.00 0.00 H new ATOM 0 HD3 LYS A 105 7.736 12.905 -0.736 1.00 0.00 H new ATOM 0 HE2 LYS A 105 7.027 15.128 0.018 1.00 0.00 H new ATOM 0 HE3 LYS A 105 7.073 15.137 -1.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 4.969 15.970 -0.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 4.811 15.205 -1.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 4.551 14.326 -0.467 1.00 0.00 H new ATOM 362 N GLY A 106 3.778 11.131 -5.064 1.00 0.00 N ATOM 363 CA GLY A 106 3.425 11.922 -6.277 1.00 0.00 C ATOM 364 C GLY A 106 3.165 10.976 -7.450 1.00 0.00 C ATOM 365 O GLY A 106 2.609 11.362 -8.459 1.00 0.00 O ATOM 0 H GLY A 106 3.112 10.400 -4.813 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.540 12.528 -6.083 1.00 0.00 H new ATOM 0 HA3 GLY A 106 4.235 12.609 -6.524 1.00 0.00 H new ATOM 369 N GLU A 107 3.562 9.739 -7.327 1.00 0.00 N ATOM 370 CA GLU A 107 3.336 8.771 -8.437 1.00 0.00 C ATOM 371 C GLU A 107 1.878 8.308 -8.420 1.00 0.00 C ATOM 372 O GLU A 107 1.217 8.339 -7.400 1.00 0.00 O ATOM 373 CB GLU A 107 4.258 7.564 -8.255 1.00 0.00 C ATOM 374 CG GLU A 107 5.547 7.785 -9.048 1.00 0.00 C ATOM 375 CD GLU A 107 5.605 6.795 -10.213 1.00 0.00 C ATOM 376 OE1 GLU A 107 4.759 6.888 -11.087 1.00 0.00 O ATOM 377 OE2 GLU A 107 6.496 5.961 -10.211 1.00 0.00 O ATOM 0 H GLU A 107 4.033 9.357 -6.507 1.00 0.00 H new ATOM 0 HA GLU A 107 3.552 9.253 -9.391 1.00 0.00 H new ATOM 0 HB2 GLU A 107 4.487 7.424 -7.199 1.00 0.00 H new ATOM 0 HB3 GLU A 107 3.759 6.657 -8.596 1.00 0.00 H new ATOM 0 HG2 GLU A 107 5.585 8.808 -9.424 1.00 0.00 H new ATOM 0 HG3 GLU A 107 6.413 7.651 -8.400 1.00 0.00 H new ATOM 384 N LYS A 108 1.370 7.879 -9.544 1.00 0.00 N ATOM 385 CA LYS A 108 -0.045 7.415 -9.594 1.00 0.00 C ATOM 386 C LYS A 108 -0.092 5.898 -9.397 1.00 0.00 C ATOM 387 O LYS A 108 0.888 5.208 -9.595 1.00 0.00 O ATOM 388 CB LYS A 108 -0.650 7.770 -10.955 1.00 0.00 C ATOM 389 CG LYS A 108 -1.086 9.236 -10.956 1.00 0.00 C ATOM 390 CD LYS A 108 0.149 10.136 -11.044 1.00 0.00 C ATOM 391 CE LYS A 108 -0.174 11.366 -11.894 1.00 0.00 C ATOM 392 NZ LYS A 108 0.057 12.599 -11.089 1.00 0.00 N ATOM 0 H LYS A 108 1.874 7.830 -10.429 1.00 0.00 H new ATOM 0 HA LYS A 108 -0.615 7.903 -8.803 1.00 0.00 H new ATOM 0 HB2 LYS A 108 0.080 7.597 -11.745 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -1.504 7.126 -11.164 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -1.750 9.428 -11.799 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -1.648 9.460 -10.049 1.00 0.00 H new ATOM 0 HD2 LYS A 108 0.460 10.443 -10.045 1.00 0.00 H new ATOM 0 HD3 LYS A 108 0.982 9.586 -11.483 1.00 0.00 H new ATOM 0 HE2 LYS A 108 0.451 11.379 -12.787 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.210 11.327 -12.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -0.162 13.436 -11.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -0.557 12.586 -10.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 1.052 12.636 -10.789 1.00 0.00 H new ATOM 406 N PHE A 109 -1.222 5.373 -9.011 1.00 0.00 N ATOM 407 CA PHE A 109 -1.326 3.902 -8.803 1.00 0.00 C ATOM 408 C PHE A 109 -2.758 3.444 -9.086 1.00 0.00 C ATOM 409 O PHE A 109 -3.712 4.051 -8.644 1.00 0.00 O ATOM 410 CB PHE A 109 -0.955 3.564 -7.358 1.00 0.00 C ATOM 411 CG PHE A 109 0.540 3.677 -7.186 1.00 0.00 C ATOM 412 CD1 PHE A 109 1.384 2.718 -7.758 1.00 0.00 C ATOM 413 CD2 PHE A 109 1.080 4.743 -6.457 1.00 0.00 C ATOM 414 CE1 PHE A 109 2.771 2.826 -7.601 1.00 0.00 C ATOM 415 CE2 PHE A 109 2.467 4.850 -6.300 1.00 0.00 C ATOM 416 CZ PHE A 109 3.312 3.892 -6.872 1.00 0.00 C ATOM 0 H PHE A 109 -2.077 5.899 -8.831 1.00 0.00 H new ATOM 0 HA PHE A 109 -0.643 3.390 -9.482 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -1.464 4.242 -6.672 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -1.285 2.555 -7.112 1.00 0.00 H new ATOM 0 HD1 PHE A 109 0.966 1.896 -8.320 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.427 5.482 -6.016 1.00 0.00 H new ATOM 0 HE1 PHE A 109 3.424 2.087 -8.042 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.885 5.672 -5.738 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.382 3.975 -6.751 1.00 0.00 H new ATOM 426 N GLN A 110 -2.915 2.376 -9.819 1.00 0.00 N ATOM 427 CA GLN A 110 -4.286 1.881 -10.128 1.00 0.00 C ATOM 428 C GLN A 110 -4.677 0.804 -9.114 1.00 0.00 C ATOM 429 O GLN A 110 -4.284 -0.340 -9.227 1.00 0.00 O ATOM 430 CB GLN A 110 -4.307 1.289 -11.540 1.00 0.00 C ATOM 431 CG GLN A 110 -4.939 2.294 -12.507 1.00 0.00 C ATOM 432 CD GLN A 110 -6.463 2.192 -12.429 1.00 0.00 C ATOM 433 OE1 GLN A 110 -7.009 1.845 -11.400 1.00 0.00 O ATOM 434 NE2 GLN A 110 -7.178 2.482 -13.482 1.00 0.00 N ATOM 0 H GLN A 110 -2.154 1.825 -10.217 1.00 0.00 H new ATOM 0 HA GLN A 110 -4.995 2.707 -10.071 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -3.293 1.049 -11.860 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -4.872 0.357 -11.547 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -4.619 3.305 -12.257 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -4.603 2.096 -13.525 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -6.720 2.773 -14.345 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -8.195 2.417 -13.441 1.00 0.00 H new ATOM 443 N ILE A 111 -5.449 1.161 -8.123 1.00 0.00 N ATOM 444 CA ILE A 111 -5.863 0.156 -7.103 1.00 0.00 C ATOM 445 C ILE A 111 -6.878 -0.810 -7.716 1.00 0.00 C ATOM 446 O ILE A 111 -7.986 -0.436 -8.044 1.00 0.00 O ATOM 447 CB ILE A 111 -6.501 0.871 -5.908 1.00 0.00 C ATOM 448 CG1 ILE A 111 -5.449 1.733 -5.208 1.00 0.00 C ATOM 449 CG2 ILE A 111 -7.042 -0.166 -4.923 1.00 0.00 C ATOM 450 CD1 ILE A 111 -4.197 0.897 -4.940 1.00 0.00 C ATOM 0 H ILE A 111 -5.810 2.104 -7.976 1.00 0.00 H new ATOM 0 HA ILE A 111 -4.987 -0.400 -6.770 1.00 0.00 H new ATOM 0 HB ILE A 111 -7.317 1.503 -6.258 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -5.198 2.594 -5.828 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -5.847 2.121 -4.270 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -7.496 0.342 -4.072 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -7.791 -0.783 -5.419 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -6.225 -0.798 -4.574 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -3.448 1.513 -4.441 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -4.454 0.051 -4.303 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -3.795 0.531 -5.885 1.00 0.00 H new ATOM 462 N LEU A 112 -6.509 -2.052 -7.872 1.00 0.00 N ATOM 463 CA LEU A 112 -7.455 -3.041 -8.462 1.00 0.00 C ATOM 464 C LEU A 112 -8.100 -3.861 -7.343 1.00 0.00 C ATOM 465 O LEU A 112 -9.213 -4.332 -7.468 1.00 0.00 O ATOM 466 CB LEU A 112 -6.694 -3.977 -9.405 1.00 0.00 C ATOM 467 CG LEU A 112 -5.391 -4.420 -8.739 1.00 0.00 C ATOM 468 CD1 LEU A 112 -5.208 -5.926 -8.927 1.00 0.00 C ATOM 469 CD2 LEU A 112 -4.215 -3.679 -9.381 1.00 0.00 C ATOM 0 H LEU A 112 -5.594 -2.424 -7.617 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.229 -2.514 -9.020 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.306 -4.846 -9.645 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.480 -3.469 -10.345 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.430 -4.190 -7.674 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -4.279 -6.242 -8.452 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.046 -6.454 -8.472 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.168 -6.158 -9.991 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -3.285 -3.993 -8.908 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -4.177 -3.910 -10.445 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -4.345 -2.605 -9.248 1.00 0.00 H new ATOM 481 N ASN A 113 -7.408 -4.037 -6.251 1.00 0.00 N ATOM 482 CA ASN A 113 -7.982 -4.827 -5.126 1.00 0.00 C ATOM 483 C ASN A 113 -7.629 -4.154 -3.798 1.00 0.00 C ATOM 484 O ASN A 113 -6.516 -4.247 -3.320 1.00 0.00 O ATOM 485 CB ASN A 113 -7.403 -6.244 -5.151 1.00 0.00 C ATOM 486 CG ASN A 113 -8.344 -7.165 -5.929 1.00 0.00 C ATOM 487 OD1 ASN A 113 -7.981 -7.693 -6.961 1.00 0.00 O ATOM 488 ND2 ASN A 113 -9.547 -7.384 -5.474 1.00 0.00 N ATOM 0 H ASN A 113 -6.471 -3.668 -6.089 1.00 0.00 H new ATOM 0 HA ASN A 113 -9.066 -4.876 -5.231 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -6.417 -6.237 -5.615 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -7.274 -6.614 -4.134 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -10.181 -7.998 -5.985 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -9.853 -6.941 -4.608 1.00 0.00 H new ATOM 495 N SER A 114 -8.569 -3.475 -3.198 1.00 0.00 N ATOM 496 CA SER A 114 -8.285 -2.797 -1.903 1.00 0.00 C ATOM 497 C SER A 114 -9.340 -3.204 -0.872 1.00 0.00 C ATOM 498 O SER A 114 -10.216 -2.435 -0.529 1.00 0.00 O ATOM 499 CB SER A 114 -8.326 -1.281 -2.100 1.00 0.00 C ATOM 500 OG SER A 114 -8.746 -0.660 -0.893 1.00 0.00 O ATOM 0 H SER A 114 -9.520 -3.361 -3.549 1.00 0.00 H new ATOM 0 HA SER A 114 -7.297 -3.091 -1.549 1.00 0.00 H new ATOM 0 HB2 SER A 114 -7.341 -0.914 -2.387 1.00 0.00 H new ATOM 0 HB3 SER A 114 -9.010 -1.027 -2.910 1.00 0.00 H new ATOM 0 HG SER A 114 -8.047 -0.048 -0.579 1.00 0.00 H new ATOM 539 N ASP A 118 -4.402 -2.410 4.715 1.00 0.00 N ATOM 540 CA ASP A 118 -2.964 -2.608 5.049 1.00 0.00 C ATOM 541 C ASP A 118 -2.133 -2.616 3.765 1.00 0.00 C ATOM 542 O ASP A 118 -1.294 -1.763 3.552 1.00 0.00 O ATOM 543 CB ASP A 118 -2.789 -3.944 5.773 1.00 0.00 C ATOM 544 CG ASP A 118 -2.217 -3.697 7.170 1.00 0.00 C ATOM 545 OD1 ASP A 118 -1.059 -3.326 7.258 1.00 0.00 O ATOM 546 OD2 ASP A 118 -2.948 -3.883 8.129 1.00 0.00 O ATOM 0 HA ASP A 118 -2.629 -1.795 5.693 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -3.747 -4.458 5.847 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -2.122 -4.593 5.205 1.00 0.00 H new ATOM 551 N TRP A 119 -2.355 -3.575 2.908 1.00 0.00 N ATOM 552 CA TRP A 119 -1.570 -3.635 1.642 1.00 0.00 C ATOM 553 C TRP A 119 -2.518 -3.770 0.448 1.00 0.00 C ATOM 554 O TRP A 119 -3.098 -4.813 0.217 1.00 0.00 O ATOM 555 CB TRP A 119 -0.631 -4.842 1.688 1.00 0.00 C ATOM 556 CG TRP A 119 0.356 -4.664 2.797 1.00 0.00 C ATOM 557 CD1 TRP A 119 0.272 -5.251 4.012 1.00 0.00 C ATOM 558 CD2 TRP A 119 1.570 -3.858 2.814 1.00 0.00 C ATOM 559 NE1 TRP A 119 1.359 -4.858 4.775 1.00 0.00 N ATOM 560 CE2 TRP A 119 2.187 -4.000 4.079 1.00 0.00 C ATOM 561 CE3 TRP A 119 2.190 -3.027 1.863 1.00 0.00 C ATOM 562 CZ2 TRP A 119 3.378 -3.340 4.391 1.00 0.00 C ATOM 563 CZ3 TRP A 119 3.386 -2.361 2.173 1.00 0.00 C ATOM 564 CH2 TRP A 119 3.980 -2.518 3.434 1.00 0.00 C ATOM 0 H TRP A 119 -3.044 -4.318 3.029 1.00 0.00 H new ATOM 0 HA TRP A 119 -0.988 -2.720 1.534 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -1.204 -5.757 1.840 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -0.110 -4.947 0.736 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -0.514 -5.917 4.335 1.00 0.00 H new ATOM 0 HE1 TRP A 119 1.527 -5.165 5.733 1.00 0.00 H new ATOM 0 HE3 TRP A 119 1.743 -2.901 0.888 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 3.830 -3.464 5.364 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 3.852 -1.724 1.436 1.00 0.00 H new ATOM 0 HH2 TRP A 119 4.901 -2.004 3.665 1.00 0.00 H new ATOM 575 N TRP A 120 -2.674 -2.722 -0.315 1.00 0.00 N ATOM 576 CA TRP A 120 -3.577 -2.783 -1.499 1.00 0.00 C ATOM 577 C TRP A 120 -2.774 -3.209 -2.731 1.00 0.00 C ATOM 578 O TRP A 120 -1.591 -2.952 -2.828 1.00 0.00 O ATOM 579 CB TRP A 120 -4.171 -1.396 -1.759 1.00 0.00 C ATOM 580 CG TRP A 120 -5.188 -1.069 -0.715 1.00 0.00 C ATOM 581 CD1 TRP A 120 -5.674 -1.939 0.200 1.00 0.00 C ATOM 582 CD2 TRP A 120 -5.851 0.203 -0.464 1.00 0.00 C ATOM 583 NE1 TRP A 120 -6.595 -1.279 0.995 1.00 0.00 N ATOM 584 CE2 TRP A 120 -6.738 0.043 0.625 1.00 0.00 C ATOM 585 CE3 TRP A 120 -5.769 1.469 -1.073 1.00 0.00 C ATOM 586 CZ2 TRP A 120 -7.517 1.102 1.096 1.00 0.00 C ATOM 587 CZ3 TRP A 120 -6.551 2.536 -0.603 1.00 0.00 C ATOM 588 CH2 TRP A 120 -7.423 2.352 0.479 1.00 0.00 C ATOM 0 H TRP A 120 -2.213 -1.824 -0.168 1.00 0.00 H new ATOM 0 HA TRP A 120 -4.374 -3.501 -1.306 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -3.380 -0.646 -1.754 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -4.631 -1.368 -2.747 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -5.390 -2.977 0.294 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -7.106 -1.717 1.762 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -5.100 1.621 -1.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -8.187 0.956 1.931 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -6.480 3.504 -1.078 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -8.022 3.177 0.836 1.00 0.00 H new ATOM 599 N GLU A 121 -3.407 -3.840 -3.681 1.00 0.00 N ATOM 600 CA GLU A 121 -2.675 -4.257 -4.910 1.00 0.00 C ATOM 601 C GLU A 121 -2.774 -3.131 -5.939 1.00 0.00 C ATOM 602 O GLU A 121 -3.802 -2.930 -6.555 1.00 0.00 O ATOM 603 CB GLU A 121 -3.301 -5.533 -5.479 1.00 0.00 C ATOM 604 CG GLU A 121 -3.660 -6.482 -4.335 1.00 0.00 C ATOM 605 CD GLU A 121 -3.615 -7.927 -4.835 1.00 0.00 C ATOM 606 OE1 GLU A 121 -3.194 -8.131 -5.962 1.00 0.00 O ATOM 607 OE2 GLU A 121 -4.002 -8.806 -4.082 1.00 0.00 O ATOM 0 H GLU A 121 -4.397 -4.084 -3.660 1.00 0.00 H new ATOM 0 HA GLU A 121 -1.630 -4.455 -4.672 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -4.193 -5.287 -6.055 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -2.604 -6.018 -6.163 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -2.963 -6.351 -3.508 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -4.654 -6.249 -3.954 1.00 0.00 H new ATOM 614 N ALA A 122 -1.721 -2.382 -6.121 1.00 0.00 N ATOM 615 CA ALA A 122 -1.768 -1.259 -7.098 1.00 0.00 C ATOM 616 C ALA A 122 -0.831 -1.541 -8.272 1.00 0.00 C ATOM 617 O ALA A 122 0.282 -1.996 -8.097 1.00 0.00 O ATOM 618 CB ALA A 122 -1.335 0.035 -6.406 1.00 0.00 C ATOM 0 H ALA A 122 -0.831 -2.499 -5.636 1.00 0.00 H new ATOM 0 HA ALA A 122 -2.787 -1.157 -7.472 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -1.369 0.858 -7.120 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -2.009 0.247 -5.576 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -0.318 -0.077 -6.029 1.00 0.00 H new ATOM 624 N ARG A 123 -1.272 -1.262 -9.468 1.00 0.00 N ATOM 625 CA ARG A 123 -0.408 -1.500 -10.656 1.00 0.00 C ATOM 626 C ARG A 123 0.202 -0.169 -11.099 1.00 0.00 C ATOM 627 O ARG A 123 -0.501 0.782 -11.385 1.00 0.00 O ATOM 628 CB ARG A 123 -1.253 -2.079 -11.792 1.00 0.00 C ATOM 629 CG ARG A 123 -2.297 -1.047 -12.222 1.00 0.00 C ATOM 630 CD ARG A 123 -3.333 -1.714 -13.128 1.00 0.00 C ATOM 631 NE ARG A 123 -3.700 -0.781 -14.231 1.00 0.00 N ATOM 632 CZ ARG A 123 -4.078 -1.255 -15.387 1.00 0.00 C ATOM 633 NH1 ARG A 123 -5.180 -1.949 -15.479 1.00 0.00 N ATOM 634 NH2 ARG A 123 -3.356 -1.034 -16.451 1.00 0.00 N ATOM 0 H ARG A 123 -2.195 -0.879 -9.673 1.00 0.00 H new ATOM 0 HA ARG A 123 0.385 -2.204 -10.403 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -0.616 -2.343 -12.636 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -1.744 -2.995 -11.465 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -2.785 -0.622 -11.345 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -1.814 -0.224 -12.749 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -2.931 -2.640 -13.539 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -4.219 -1.980 -12.552 1.00 0.00 H new ATOM 0 HE ARG A 123 -3.656 0.227 -14.083 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -5.745 -2.121 -14.648 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -5.476 -2.319 -16.382 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -2.496 -0.491 -16.380 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -3.652 -1.405 -17.354 1.00 0.00 H new ATOM 648 N SER A 124 1.502 -0.090 -11.151 1.00 0.00 N ATOM 649 CA SER A 124 2.156 1.183 -11.568 1.00 0.00 C ATOM 650 C SER A 124 1.707 1.550 -12.985 1.00 0.00 C ATOM 651 O SER A 124 1.854 0.780 -13.913 1.00 0.00 O ATOM 652 CB SER A 124 3.675 1.006 -11.546 1.00 0.00 C ATOM 653 OG SER A 124 4.115 0.910 -10.197 1.00 0.00 O ATOM 0 H SER A 124 2.141 -0.852 -10.923 1.00 0.00 H new ATOM 0 HA SER A 124 1.871 1.979 -10.880 1.00 0.00 H new ATOM 0 HB2 SER A 124 3.957 0.109 -12.098 1.00 0.00 H new ATOM 0 HB3 SER A 124 4.159 1.849 -12.040 1.00 0.00 H new ATOM 0 HG SER A 124 5.088 0.795 -10.178 1.00 0.00 H new ATOM 659 N LEU A 125 1.164 2.725 -13.158 1.00 0.00 N ATOM 660 CA LEU A 125 0.711 3.143 -14.514 1.00 0.00 C ATOM 661 C LEU A 125 1.931 3.473 -15.375 1.00 0.00 C ATOM 662 O LEU A 125 1.842 3.578 -16.582 1.00 0.00 O ATOM 663 CB LEU A 125 -0.179 4.382 -14.395 1.00 0.00 C ATOM 664 CG LEU A 125 -1.551 3.975 -13.855 1.00 0.00 C ATOM 665 CD1 LEU A 125 -2.139 5.125 -13.035 1.00 0.00 C ATOM 666 CD2 LEU A 125 -2.484 3.656 -15.025 1.00 0.00 C ATOM 0 H LEU A 125 1.015 3.412 -12.419 1.00 0.00 H new ATOM 0 HA LEU A 125 0.146 2.334 -14.976 1.00 0.00 H new ATOM 0 HB2 LEU A 125 0.283 5.112 -13.731 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -0.287 4.860 -15.369 1.00 0.00 H new ATOM 0 HG LEU A 125 -1.445 3.094 -13.222 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -3.117 4.835 -12.650 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -1.475 5.355 -12.202 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -2.245 6.006 -13.668 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -3.462 3.366 -14.642 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -2.589 4.538 -15.657 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -2.066 2.837 -15.611 1.00 0.00 H new ATOM 678 N THR A 126 3.073 3.637 -14.763 1.00 0.00 N ATOM 679 CA THR A 126 4.300 3.960 -15.544 1.00 0.00 C ATOM 680 C THR A 126 4.921 2.666 -16.074 1.00 0.00 C ATOM 681 O THR A 126 5.146 2.514 -17.259 1.00 0.00 O ATOM 682 CB THR A 126 5.307 4.677 -14.640 1.00 0.00 C ATOM 683 OG1 THR A 126 4.843 5.991 -14.368 1.00 0.00 O ATOM 684 CG2 THR A 126 6.664 4.747 -15.339 1.00 0.00 C ATOM 0 H THR A 126 3.208 3.561 -13.755 1.00 0.00 H new ATOM 0 HA THR A 126 4.039 4.608 -16.381 1.00 0.00 H new ATOM 0 HB THR A 126 5.412 4.127 -13.705 1.00 0.00 H new ATOM 0 HG1 THR A 126 5.485 6.451 -13.788 1.00 0.00 H new ATOM 0 HG21 THR A 126 7.379 5.258 -14.694 1.00 0.00 H new ATOM 0 HG22 THR A 126 7.019 3.738 -15.547 1.00 0.00 H new ATOM 0 HG23 THR A 126 6.563 5.296 -16.275 1.00 0.00 H new ATOM 692 N THR A 127 5.201 1.732 -15.208 1.00 0.00 N ATOM 693 CA THR A 127 5.807 0.449 -15.665 1.00 0.00 C ATOM 694 C THR A 127 4.698 -0.528 -16.059 1.00 0.00 C ATOM 695 O THR A 127 4.716 -1.103 -17.129 1.00 0.00 O ATOM 696 CB THR A 127 6.642 -0.155 -14.534 1.00 0.00 C ATOM 697 OG1 THR A 127 5.786 -0.843 -13.632 1.00 0.00 O ATOM 698 CG2 THR A 127 7.383 0.957 -13.791 1.00 0.00 C ATOM 0 H THR A 127 5.037 1.801 -14.204 1.00 0.00 H new ATOM 0 HA THR A 127 6.447 0.638 -16.527 1.00 0.00 H new ATOM 0 HB THR A 127 7.368 -0.853 -14.951 1.00 0.00 H new ATOM 0 HG1 THR A 127 6.319 -1.232 -12.908 1.00 0.00 H new ATOM 0 HG21 THR A 127 7.977 0.524 -12.986 1.00 0.00 H new ATOM 0 HG22 THR A 127 8.040 1.483 -14.484 1.00 0.00 H new ATOM 0 HG23 THR A 127 6.661 1.658 -13.372 1.00 0.00 H new ATOM 706 N GLY A 128 3.730 -0.721 -15.204 1.00 0.00 N ATOM 707 CA GLY A 128 2.622 -1.662 -15.533 1.00 0.00 C ATOM 708 C GLY A 128 2.618 -2.822 -14.536 1.00 0.00 C ATOM 709 O GLY A 128 1.585 -3.378 -14.222 1.00 0.00 O ATOM 0 H GLY A 128 3.659 -0.268 -14.293 1.00 0.00 H new ATOM 0 HA2 GLY A 128 1.666 -1.139 -15.501 1.00 0.00 H new ATOM 0 HA3 GLY A 128 2.744 -2.042 -16.547 1.00 0.00 H new ATOM 713 N GLU A 129 3.765 -3.193 -14.038 1.00 0.00 N ATOM 714 CA GLU A 129 3.825 -4.318 -13.064 1.00 0.00 C ATOM 715 C GLU A 129 2.896 -4.020 -11.885 1.00 0.00 C ATOM 716 O GLU A 129 2.549 -2.885 -11.628 1.00 0.00 O ATOM 717 CB GLU A 129 5.258 -4.477 -12.556 1.00 0.00 C ATOM 718 CG GLU A 129 6.212 -4.586 -13.748 1.00 0.00 C ATOM 719 CD GLU A 129 7.024 -5.878 -13.637 1.00 0.00 C ATOM 720 OE1 GLU A 129 7.242 -6.324 -12.522 1.00 0.00 O ATOM 721 OE2 GLU A 129 7.415 -6.398 -14.669 1.00 0.00 O ATOM 0 H GLU A 129 4.663 -2.766 -14.264 1.00 0.00 H new ATOM 0 HA GLU A 129 3.509 -5.240 -13.553 1.00 0.00 H new ATOM 0 HB2 GLU A 129 5.532 -3.625 -11.934 1.00 0.00 H new ATOM 0 HB3 GLU A 129 5.337 -5.366 -11.931 1.00 0.00 H new ATOM 0 HG2 GLU A 129 5.648 -4.578 -14.681 1.00 0.00 H new ATOM 0 HG3 GLU A 129 6.880 -3.725 -13.772 1.00 0.00 H new ATOM 728 N THR A 130 2.491 -5.031 -11.166 1.00 0.00 N ATOM 729 CA THR A 130 1.586 -4.803 -10.004 1.00 0.00 C ATOM 730 C THR A 130 2.285 -5.250 -8.719 1.00 0.00 C ATOM 731 O THR A 130 3.131 -6.121 -8.734 1.00 0.00 O ATOM 732 CB THR A 130 0.299 -5.611 -10.193 1.00 0.00 C ATOM 733 OG1 THR A 130 0.031 -5.751 -11.581 1.00 0.00 O ATOM 734 CG2 THR A 130 -0.866 -4.887 -9.517 1.00 0.00 C ATOM 0 H THR A 130 2.747 -6.004 -11.333 1.00 0.00 H new ATOM 0 HA THR A 130 1.342 -3.743 -9.935 1.00 0.00 H new ATOM 0 HB THR A 130 0.419 -6.597 -9.743 1.00 0.00 H new ATOM 0 HG1 THR A 130 -0.791 -6.269 -11.705 1.00 0.00 H new ATOM 0 HG21 THR A 130 -1.781 -5.464 -9.653 1.00 0.00 H new ATOM 0 HG22 THR A 130 -0.659 -4.780 -8.452 1.00 0.00 H new ATOM 0 HG23 THR A 130 -0.990 -3.900 -9.964 1.00 0.00 H new ATOM 742 N GLY A 131 1.941 -4.661 -7.607 1.00 0.00 N ATOM 743 CA GLY A 131 2.589 -5.055 -6.326 1.00 0.00 C ATOM 744 C GLY A 131 1.691 -4.661 -5.152 1.00 0.00 C ATOM 745 O GLY A 131 0.522 -4.371 -5.320 1.00 0.00 O ATOM 0 H GLY A 131 1.240 -3.924 -7.531 1.00 0.00 H new ATOM 0 HA2 GLY A 131 2.769 -6.130 -6.314 1.00 0.00 H new ATOM 0 HA3 GLY A 131 3.560 -4.568 -6.233 1.00 0.00 H new ATOM 749 N TYR A 132 2.227 -4.652 -3.961 1.00 0.00 N ATOM 750 CA TYR A 132 1.402 -4.284 -2.776 1.00 0.00 C ATOM 751 C TYR A 132 1.942 -3.001 -2.140 1.00 0.00 C ATOM 752 O TYR A 132 3.056 -2.956 -1.658 1.00 0.00 O ATOM 753 CB TYR A 132 1.459 -5.415 -1.746 1.00 0.00 C ATOM 754 CG TYR A 132 0.649 -6.588 -2.239 1.00 0.00 C ATOM 755 CD1 TYR A 132 1.208 -7.489 -3.152 1.00 0.00 C ATOM 756 CD2 TYR A 132 -0.661 -6.776 -1.781 1.00 0.00 C ATOM 757 CE1 TYR A 132 0.458 -8.579 -3.608 1.00 0.00 C ATOM 758 CE2 TYR A 132 -1.411 -7.865 -2.236 1.00 0.00 C ATOM 759 CZ TYR A 132 -0.852 -8.767 -3.150 1.00 0.00 C ATOM 760 OH TYR A 132 -1.593 -9.841 -3.600 1.00 0.00 O ATOM 0 H TYR A 132 3.200 -4.883 -3.758 1.00 0.00 H new ATOM 0 HA TYR A 132 0.372 -4.123 -3.096 1.00 0.00 H new ATOM 0 HB2 TYR A 132 2.493 -5.718 -1.580 1.00 0.00 H new ATOM 0 HB3 TYR A 132 1.071 -5.069 -0.788 1.00 0.00 H new ATOM 0 HD1 TYR A 132 2.218 -7.343 -3.505 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -1.092 -6.080 -1.077 1.00 0.00 H new ATOM 0 HE1 TYR A 132 0.889 -9.275 -4.313 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -2.421 -8.010 -1.883 1.00 0.00 H new ATOM 0 HH TYR A 132 -2.547 -9.658 -3.469 1.00 0.00 H new ATOM 770 N ILE A 133 1.153 -1.962 -2.124 1.00 0.00 N ATOM 771 CA ILE A 133 1.608 -0.687 -1.505 1.00 0.00 C ATOM 772 C ILE A 133 0.755 -0.415 -0.262 1.00 0.00 C ATOM 773 O ILE A 133 -0.345 -0.916 -0.151 1.00 0.00 O ATOM 774 CB ILE A 133 1.438 0.459 -2.505 1.00 0.00 C ATOM 775 CG1 ILE A 133 -0.002 0.476 -3.020 1.00 0.00 C ATOM 776 CG2 ILE A 133 2.395 0.260 -3.681 1.00 0.00 C ATOM 777 CD1 ILE A 133 -0.531 1.911 -3.008 1.00 0.00 C ATOM 0 H ILE A 133 0.211 -1.942 -2.514 1.00 0.00 H new ATOM 0 HA ILE A 133 2.659 -0.762 -1.227 1.00 0.00 H new ATOM 0 HB ILE A 133 1.661 1.405 -2.012 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -0.043 0.071 -4.031 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -0.630 -0.160 -2.396 1.00 0.00 H new ATOM 0 HG21 ILE A 133 2.272 1.077 -4.392 1.00 0.00 H new ATOM 0 HG22 ILE A 133 3.422 0.247 -3.316 1.00 0.00 H new ATOM 0 HG23 ILE A 133 2.174 -0.686 -4.174 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -1.557 1.924 -3.375 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -0.505 2.300 -1.990 1.00 0.00 H new ATOM 0 HD13 ILE A 133 0.092 2.534 -3.650 1.00 0.00 H new ATOM 789 N PRO A 134 1.285 0.370 0.638 1.00 0.00 N ATOM 790 CA PRO A 134 0.578 0.715 1.884 1.00 0.00 C ATOM 791 C PRO A 134 -0.739 1.425 1.561 1.00 0.00 C ATOM 792 O PRO A 134 -0.772 2.384 0.815 1.00 0.00 O ATOM 793 CB PRO A 134 1.536 1.650 2.634 1.00 0.00 C ATOM 794 CG PRO A 134 2.808 1.819 1.760 1.00 0.00 C ATOM 795 CD PRO A 134 2.620 0.975 0.490 1.00 0.00 C ATOM 0 HA PRO A 134 0.323 -0.163 2.478 1.00 0.00 H new ATOM 0 HB2 PRO A 134 1.065 2.616 2.815 1.00 0.00 H new ATOM 0 HB3 PRO A 134 1.793 1.234 3.608 1.00 0.00 H new ATOM 0 HG2 PRO A 134 2.959 2.868 1.503 1.00 0.00 H new ATOM 0 HG3 PRO A 134 3.693 1.494 2.307 1.00 0.00 H new ATOM 0 HD2 PRO A 134 2.678 1.591 -0.407 1.00 0.00 H new ATOM 0 HD3 PRO A 134 3.393 0.212 0.404 1.00 0.00 H new ATOM 803 N SER A 135 -1.827 0.958 2.112 1.00 0.00 N ATOM 804 CA SER A 135 -3.142 1.602 1.832 1.00 0.00 C ATOM 805 C SER A 135 -3.148 3.026 2.392 1.00 0.00 C ATOM 806 O SER A 135 -3.684 3.936 1.792 1.00 0.00 O ATOM 807 CB SER A 135 -4.257 0.790 2.493 1.00 0.00 C ATOM 808 OG SER A 135 -4.087 0.819 3.904 1.00 0.00 O ATOM 0 H SER A 135 -1.862 0.158 2.744 1.00 0.00 H new ATOM 0 HA SER A 135 -3.305 1.637 0.755 1.00 0.00 H new ATOM 0 HB2 SER A 135 -5.230 1.201 2.224 1.00 0.00 H new ATOM 0 HB3 SER A 135 -4.235 -0.239 2.134 1.00 0.00 H new ATOM 0 HG SER A 135 -4.146 -0.092 4.259 1.00 0.00 H new ATOM 814 N ASN A 136 -2.558 3.225 3.537 1.00 0.00 N ATOM 815 CA ASN A 136 -2.533 4.590 4.135 1.00 0.00 C ATOM 816 C ASN A 136 -1.529 5.466 3.380 1.00 0.00 C ATOM 817 O ASN A 136 -1.345 6.626 3.695 1.00 0.00 O ATOM 818 CB ASN A 136 -2.120 4.490 5.605 1.00 0.00 C ATOM 819 CG ASN A 136 -2.961 5.455 6.442 1.00 0.00 C ATOM 820 OD1 ASN A 136 -4.027 5.105 6.908 1.00 0.00 O ATOM 821 ND2 ASN A 136 -2.522 6.665 6.655 1.00 0.00 N ATOM 0 H ASN A 136 -2.092 2.502 4.085 1.00 0.00 H new ATOM 0 HA ASN A 136 -3.525 5.037 4.062 1.00 0.00 H new ATOM 0 HB2 ASN A 136 -2.256 3.469 5.963 1.00 0.00 H new ATOM 0 HB3 ASN A 136 -1.062 4.727 5.713 1.00 0.00 H new ATOM 0 HD21 ASN A 136 -3.074 7.317 7.213 1.00 0.00 H new ATOM 0 HD22 ASN A 136 -1.627 6.959 6.264 1.00 0.00 H new ATOM 828 N TYR A 137 -0.875 4.924 2.389 1.00 0.00 N ATOM 829 CA TYR A 137 0.118 5.728 1.620 1.00 0.00 C ATOM 830 C TYR A 137 -0.492 6.171 0.289 1.00 0.00 C ATOM 831 O TYR A 137 0.171 6.767 -0.537 1.00 0.00 O ATOM 832 CB TYR A 137 1.357 4.874 1.341 1.00 0.00 C ATOM 833 CG TYR A 137 2.424 5.179 2.364 1.00 0.00 C ATOM 834 CD1 TYR A 137 2.065 5.503 3.678 1.00 0.00 C ATOM 835 CD2 TYR A 137 3.774 5.139 1.997 1.00 0.00 C ATOM 836 CE1 TYR A 137 3.056 5.786 4.624 1.00 0.00 C ATOM 837 CE2 TYR A 137 4.765 5.422 2.942 1.00 0.00 C ATOM 838 CZ TYR A 137 4.407 5.745 4.257 1.00 0.00 C ATOM 839 OH TYR A 137 5.385 6.025 5.190 1.00 0.00 O ATOM 0 H TYR A 137 -0.985 3.959 2.078 1.00 0.00 H new ATOM 0 HA TYR A 137 0.395 6.606 2.204 1.00 0.00 H new ATOM 0 HB2 TYR A 137 1.097 3.816 1.376 1.00 0.00 H new ATOM 0 HB3 TYR A 137 1.732 5.077 0.338 1.00 0.00 H new ATOM 0 HD1 TYR A 137 1.023 5.534 3.961 1.00 0.00 H new ATOM 0 HD2 TYR A 137 4.050 4.889 0.983 1.00 0.00 H new ATOM 0 HE1 TYR A 137 2.779 6.036 5.638 1.00 0.00 H new ATOM 0 HE2 TYR A 137 5.807 5.392 2.658 1.00 0.00 H new ATOM 0 HH TYR A 137 6.268 5.951 4.771 1.00 0.00 H new ATOM 849 N VAL A 138 -1.745 5.883 0.066 1.00 0.00 N ATOM 850 CA VAL A 138 -2.379 6.289 -1.220 1.00 0.00 C ATOM 851 C VAL A 138 -3.782 6.839 -0.963 1.00 0.00 C ATOM 852 O VAL A 138 -4.442 6.467 -0.012 1.00 0.00 O ATOM 853 CB VAL A 138 -2.474 5.074 -2.144 1.00 0.00 C ATOM 854 CG1 VAL A 138 -1.121 4.837 -2.817 1.00 0.00 C ATOM 855 CG2 VAL A 138 -2.858 3.840 -1.323 1.00 0.00 C ATOM 0 H VAL A 138 -2.355 5.386 0.715 1.00 0.00 H new ATOM 0 HA VAL A 138 -1.772 7.064 -1.688 1.00 0.00 H new ATOM 0 HB VAL A 138 -3.232 5.255 -2.906 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -1.189 3.971 -3.475 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -0.846 5.716 -3.400 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -0.363 4.655 -2.055 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -2.926 2.973 -1.980 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -2.100 3.659 -0.561 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -3.822 4.008 -0.843 1.00 0.00 H new ATOM 865 N ALA A 139 -4.246 7.719 -1.807 1.00 0.00 N ATOM 866 CA ALA A 139 -5.609 8.291 -1.617 1.00 0.00 C ATOM 867 C ALA A 139 -6.243 8.563 -2.987 1.00 0.00 C ATOM 868 O ALA A 139 -5.555 8.921 -3.923 1.00 0.00 O ATOM 869 CB ALA A 139 -5.508 9.599 -0.830 1.00 0.00 C ATOM 0 H ALA A 139 -3.740 8.067 -2.621 1.00 0.00 H new ATOM 0 HA ALA A 139 -6.228 7.584 -1.065 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -6.505 10.018 -0.691 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -5.057 9.404 0.143 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -4.890 10.308 -1.381 1.00 0.00 H new ATOM 875 N PRO A 140 -7.538 8.381 -3.063 1.00 0.00 N ATOM 876 CA PRO A 140 -8.289 8.599 -4.313 1.00 0.00 C ATOM 877 C PRO A 140 -8.159 10.058 -4.764 1.00 0.00 C ATOM 878 O PRO A 140 -8.214 10.972 -3.965 1.00 0.00 O ATOM 879 CB PRO A 140 -9.746 8.270 -3.957 1.00 0.00 C ATOM 880 CG PRO A 140 -9.787 7.861 -2.460 1.00 0.00 C ATOM 881 CD PRO A 140 -8.353 7.947 -1.914 1.00 0.00 C ATOM 0 HA PRO A 140 -7.919 7.983 -5.133 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -10.387 9.133 -4.135 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -10.119 7.461 -4.585 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -10.450 8.522 -1.901 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -10.178 6.850 -2.350 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -8.285 8.658 -1.090 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -8.017 6.983 -1.532 1.00 0.00 H new ATOM 889 N VAL A 141 -7.985 10.282 -6.038 1.00 0.00 N ATOM 890 CA VAL A 141 -7.850 11.680 -6.536 1.00 0.00 C ATOM 891 C VAL A 141 -9.218 12.367 -6.522 1.00 0.00 C ATOM 892 O VAL A 141 -10.151 11.774 -6.007 1.00 0.00 O ATOM 893 CB VAL A 141 -7.294 11.662 -7.964 1.00 0.00 C ATOM 894 CG1 VAL A 141 -8.392 11.238 -8.942 1.00 0.00 C ATOM 895 CG2 VAL A 141 -6.796 13.061 -8.335 1.00 0.00 C ATOM 896 OXT VAL A 141 -9.308 13.475 -7.026 1.00 0.00 O ATOM 0 H VAL A 141 -7.931 9.558 -6.755 1.00 0.00 H new ATOM 0 HA VAL A 141 -7.167 12.231 -5.889 1.00 0.00 H new ATOM 0 HB VAL A 141 -6.468 10.953 -8.019 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -7.992 11.227 -9.956 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -8.747 10.241 -8.681 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -9.221 11.944 -8.887 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -6.400 13.049 -9.351 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -7.623 13.769 -8.276 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -6.010 13.363 -7.643 1.00 0.00 H new