USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 492 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 149 SER OG : rot 180:sc= 1.06 USER MOD Set 1.2: A 152 CYS SG : rot 93:sc= 0.881 USER MOD Single : A 103 MET CE :methyl 141:sc= -0.193 (180deg=-0.987) USER MOD Single : A 106 THR OG1 : rot 180:sc=0.000189 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot -12:sc= 0.496 USER MOD Single : A 117 SER OG : rot 34:sc= 0.166 USER MOD Single : A 121 GLN : amide:sc= 0.376 K(o=0.38,f=-2.2) USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 SER OG : rot 110:sc= -0.481 USER MOD Single : A 132 ASN : amide:sc= -0.302 K(o=-0.3,f=-3.1!) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 139 SER OG : rot 81:sc= 0.257 USER MOD Single : A 143 THR OG1 : rot 77:sc= 0.0562 USER MOD Single : A 148 SER OG : rot 180:sc= 0 USER MOD Single : A 153 MET CE :methyl -124:sc= -0.339 (180deg=-2.38!) USER MOD Single : A 156 TYR OH : rot 64:sc= 1.17 USER MOD Single : A 157 MET CE :methyl -164:sc= 0 (180deg=-0.226) USER MOD Single : A 161 GLN : amide:sc= -1.33 K(o=-1.3,f=-2) USER MOD ----------------------------------------------------------------- ATOM 100 N MET A 103 60.476 11.046 -11.206 1.00 0.00 N ATOM 101 CA MET A 103 60.020 10.562 -9.906 1.00 0.00 C ATOM 102 C MET A 103 61.206 10.214 -9.009 1.00 0.00 C ATOM 103 O MET A 103 61.279 10.649 -7.858 1.00 0.00 O ATOM 104 CB MET A 103 59.140 9.323 -10.093 1.00 0.00 C ATOM 105 CG MET A 103 57.888 9.702 -10.885 1.00 0.00 C ATOM 106 SD MET A 103 56.746 8.297 -10.916 1.00 0.00 S ATOM 107 CE MET A 103 56.214 8.400 -9.189 1.00 0.00 C ATOM 0 HA MET A 103 59.443 11.354 -9.429 1.00 0.00 H new ATOM 0 HB2 MET A 103 59.695 8.546 -10.619 1.00 0.00 H new ATOM 0 HB3 MET A 103 58.859 8.913 -9.123 1.00 0.00 H new ATOM 0 HG2 MET A 103 57.405 10.567 -10.431 1.00 0.00 H new ATOM 0 HG3 MET A 103 58.160 9.986 -11.902 1.00 0.00 H new ATOM 0 HE1 MET A 103 55.147 8.186 -9.124 1.00 0.00 H new ATOM 0 HE2 MET A 103 56.767 7.673 -8.594 1.00 0.00 H new ATOM 0 HE3 MET A 103 56.407 9.403 -8.808 1.00 0.00 H new ATOM 117 N LEU A 104 62.150 9.449 -9.550 1.00 0.00 N ATOM 118 CA LEU A 104 63.324 9.046 -8.785 1.00 0.00 C ATOM 119 C LEU A 104 64.067 10.268 -8.250 1.00 0.00 C ATOM 120 O LEU A 104 64.452 10.309 -7.082 1.00 0.00 O ATOM 121 CB LEU A 104 64.272 8.227 -9.666 1.00 0.00 C ATOM 122 CG LEU A 104 63.555 6.980 -10.187 1.00 0.00 C ATOM 123 CD1 LEU A 104 64.462 6.245 -11.176 1.00 0.00 C ATOM 124 CD2 LEU A 104 63.226 6.052 -9.016 1.00 0.00 C ATOM 0 H LEU A 104 62.125 9.098 -10.508 1.00 0.00 H new ATOM 0 HA LEU A 104 62.987 8.439 -7.945 1.00 0.00 H new ATOM 0 HB2 LEU A 104 64.619 8.833 -10.503 1.00 0.00 H new ATOM 0 HB3 LEU A 104 65.154 7.938 -9.095 1.00 0.00 H new ATOM 0 HG LEU A 104 62.633 7.276 -10.688 1.00 0.00 H new ATOM 0 HD11 LEU A 104 63.951 5.357 -11.547 1.00 0.00 H new ATOM 0 HD12 LEU A 104 64.698 6.904 -12.012 1.00 0.00 H new ATOM 0 HD13 LEU A 104 65.384 5.950 -10.675 1.00 0.00 H new ATOM 0 HD21 LEU A 104 62.715 5.164 -9.388 1.00 0.00 H new ATOM 0 HD22 LEU A 104 64.148 5.757 -8.515 1.00 0.00 H new ATOM 0 HD23 LEU A 104 62.580 6.573 -8.309 1.00 0.00 H new ATOM 136 N ALA A 105 64.239 11.273 -9.100 1.00 0.00 N ATOM 137 CA ALA A 105 64.996 12.460 -8.718 1.00 0.00 C ATOM 138 C ALA A 105 64.359 13.164 -7.524 1.00 0.00 C ATOM 139 O ALA A 105 65.039 13.478 -6.550 1.00 0.00 O ATOM 140 CB ALA A 105 65.083 13.429 -9.899 1.00 0.00 C ATOM 0 H ALA A 105 63.869 11.291 -10.050 1.00 0.00 H new ATOM 0 HA ALA A 105 65.998 12.140 -8.432 1.00 0.00 H new ATOM 0 HB1 ALA A 105 65.650 14.312 -9.604 1.00 0.00 H new ATOM 0 HB2 ALA A 105 65.582 12.940 -10.735 1.00 0.00 H new ATOM 0 HB3 ALA A 105 64.079 13.727 -10.200 1.00 0.00 H new ATOM 146 N THR A 106 63.053 13.399 -7.589 1.00 0.00 N ATOM 147 CA THR A 106 62.353 14.091 -6.508 1.00 0.00 C ATOM 148 C THR A 106 62.612 13.421 -5.159 1.00 0.00 C ATOM 149 O THR A 106 63.048 14.066 -4.203 1.00 0.00 O ATOM 150 CB THR A 106 60.848 14.104 -6.790 1.00 0.00 C ATOM 151 OG1 THR A 106 60.617 14.626 -8.090 1.00 0.00 O ATOM 152 CG2 THR A 106 60.139 14.976 -5.753 1.00 0.00 C ATOM 0 H THR A 106 62.460 13.124 -8.372 1.00 0.00 H new ATOM 0 HA THR A 106 62.731 15.112 -6.462 1.00 0.00 H new ATOM 0 HB THR A 106 60.458 13.088 -6.732 1.00 0.00 H new ATOM 0 HG1 THR A 106 59.654 14.634 -8.273 1.00 0.00 H new ATOM 0 HG21 THR A 106 59.068 14.984 -5.955 1.00 0.00 H new ATOM 0 HG22 THR A 106 60.317 14.573 -4.756 1.00 0.00 H new ATOM 0 HG23 THR A 106 60.526 15.993 -5.807 1.00 0.00 H new ATOM 160 N ARG A 107 62.365 12.117 -5.092 1.00 0.00 N ATOM 161 CA ARG A 107 62.556 11.382 -3.846 1.00 0.00 C ATOM 162 C ARG A 107 63.988 11.534 -3.337 1.00 0.00 C ATOM 163 O ARG A 107 64.208 11.800 -2.153 1.00 0.00 O ATOM 164 CB ARG A 107 62.231 9.903 -4.057 1.00 0.00 C ATOM 165 CG ARG A 107 60.785 9.758 -4.539 1.00 0.00 C ATOM 166 CD ARG A 107 59.822 10.081 -3.393 1.00 0.00 C ATOM 167 NE ARG A 107 58.446 9.762 -3.784 1.00 0.00 N ATOM 168 CZ ARG A 107 57.484 9.439 -2.907 1.00 0.00 C ATOM 169 NH1 ARG A 107 57.704 9.382 -1.615 1.00 0.00 N ATOM 170 NH2 ARG A 107 56.287 9.171 -3.354 1.00 0.00 N ATOM 0 H ARG A 107 62.036 11.553 -5.875 1.00 0.00 H new ATOM 0 HA ARG A 107 61.881 11.796 -3.097 1.00 0.00 H new ATOM 0 HB2 ARG A 107 62.914 9.471 -4.789 1.00 0.00 H new ATOM 0 HB3 ARG A 107 62.372 9.353 -3.126 1.00 0.00 H new ATOM 0 HG2 ARG A 107 60.603 10.428 -5.379 1.00 0.00 H new ATOM 0 HG3 ARG A 107 60.611 8.743 -4.897 1.00 0.00 H new ATOM 0 HD2 ARG A 107 60.097 9.511 -2.505 1.00 0.00 H new ATOM 0 HD3 ARG A 107 59.898 11.136 -3.131 1.00 0.00 H new ATOM 0 HE ARG A 107 58.207 9.787 -4.775 1.00 0.00 H new ATOM 0 HH11 ARG A 107 58.633 9.587 -1.246 1.00 0.00 H new ATOM 0 HH12 ARG A 107 56.946 9.132 -0.979 1.00 0.00 H new ATOM 0 HH21 ARG A 107 56.096 9.209 -4.355 1.00 0.00 H new ATOM 0 HH22 ARG A 107 55.543 8.923 -2.702 1.00 0.00 H new ATOM 184 N GLU A 108 64.962 11.386 -4.231 1.00 0.00 N ATOM 185 CA GLU A 108 66.362 11.498 -3.837 1.00 0.00 C ATOM 186 C GLU A 108 66.650 12.877 -3.249 1.00 0.00 C ATOM 187 O GLU A 108 67.391 12.997 -2.277 1.00 0.00 O ATOM 188 CB GLU A 108 67.277 11.237 -5.038 1.00 0.00 C ATOM 189 CG GLU A 108 68.743 11.244 -4.583 1.00 0.00 C ATOM 190 CD GLU A 108 69.696 10.890 -5.729 1.00 0.00 C ATOM 191 OE1 GLU A 108 69.267 10.857 -6.873 1.00 0.00 O ATOM 192 OE2 GLU A 108 70.861 10.665 -5.442 1.00 0.00 O ATOM 0 H GLU A 108 64.810 11.191 -5.221 1.00 0.00 H new ATOM 0 HA GLU A 108 66.561 10.747 -3.072 1.00 0.00 H new ATOM 0 HB2 GLU A 108 67.032 10.277 -5.492 1.00 0.00 H new ATOM 0 HB3 GLU A 108 67.119 12.000 -5.800 1.00 0.00 H new ATOM 0 HG2 GLU A 108 68.997 12.228 -4.190 1.00 0.00 H new ATOM 0 HG3 GLU A 108 68.874 10.532 -3.768 1.00 0.00 H new ATOM 199 N GLN A 109 66.058 13.912 -3.835 1.00 0.00 N ATOM 200 CA GLN A 109 66.290 15.274 -3.370 1.00 0.00 C ATOM 201 C GLN A 109 65.905 15.405 -1.902 1.00 0.00 C ATOM 202 O GLN A 109 66.649 15.968 -1.102 1.00 0.00 O ATOM 203 CB GLN A 109 65.473 16.259 -4.207 1.00 0.00 C ATOM 204 CG GLN A 109 65.836 17.693 -3.812 1.00 0.00 C ATOM 205 CD GLN A 109 64.907 18.678 -4.515 1.00 0.00 C ATOM 206 OE1 GLN A 109 64.866 18.725 -5.745 1.00 0.00 O ATOM 207 NE2 GLN A 109 64.154 19.471 -3.803 1.00 0.00 N ATOM 0 H GLN A 109 65.419 13.835 -4.626 1.00 0.00 H new ATOM 0 HA GLN A 109 67.350 15.503 -3.479 1.00 0.00 H new ATOM 0 HB2 GLN A 109 65.671 16.102 -5.267 1.00 0.00 H new ATOM 0 HB3 GLN A 109 64.408 16.087 -4.052 1.00 0.00 H new ATOM 0 HG2 GLN A 109 65.756 17.813 -2.732 1.00 0.00 H new ATOM 0 HG3 GLN A 109 66.872 17.902 -4.080 1.00 0.00 H new ATOM 0 HE21 GLN A 109 64.190 19.430 -2.784 1.00 0.00 H new ATOM 0 HE22 GLN A 109 63.529 20.132 -4.265 1.00 0.00 H new ATOM 216 N GLU A 110 64.749 14.855 -1.550 1.00 0.00 N ATOM 217 CA GLU A 110 64.273 14.932 -0.173 1.00 0.00 C ATOM 218 C GLU A 110 65.266 14.261 0.770 1.00 0.00 C ATOM 219 O GLU A 110 65.656 14.830 1.789 1.00 0.00 O ATOM 220 CB GLU A 110 62.906 14.254 -0.051 1.00 0.00 C ATOM 221 CG GLU A 110 62.351 14.469 1.360 1.00 0.00 C ATOM 222 CD GLU A 110 61.969 15.933 1.572 1.00 0.00 C ATOM 223 OE1 GLU A 110 61.618 16.590 0.605 1.00 0.00 O ATOM 224 OE2 GLU A 110 62.032 16.379 2.707 1.00 0.00 O ATOM 0 H GLU A 110 64.130 14.357 -2.189 1.00 0.00 H new ATOM 0 HA GLU A 110 64.178 15.982 0.103 1.00 0.00 H new ATOM 0 HB2 GLU A 110 62.218 14.664 -0.790 1.00 0.00 H new ATOM 0 HB3 GLU A 110 62.998 13.188 -0.258 1.00 0.00 H new ATOM 0 HG2 GLU A 110 61.478 13.834 1.514 1.00 0.00 H new ATOM 0 HG3 GLU A 110 63.096 14.172 2.098 1.00 0.00 H new ATOM 231 N ALA A 111 65.693 13.057 0.410 1.00 0.00 N ATOM 232 CA ALA A 111 66.629 12.310 1.244 1.00 0.00 C ATOM 233 C ALA A 111 67.920 13.098 1.440 1.00 0.00 C ATOM 234 O ALA A 111 68.426 13.214 2.556 1.00 0.00 O ATOM 235 CB ALA A 111 66.947 10.962 0.592 1.00 0.00 C ATOM 0 H ALA A 111 65.410 12.579 -0.446 1.00 0.00 H new ATOM 0 HA ALA A 111 66.167 12.144 2.217 1.00 0.00 H new ATOM 0 HB1 ALA A 111 67.646 10.410 1.220 1.00 0.00 H new ATOM 0 HB2 ALA A 111 66.028 10.387 0.479 1.00 0.00 H new ATOM 0 HB3 ALA A 111 67.393 11.128 -0.388 1.00 0.00 H new ATOM 241 N ASN A 112 68.441 13.649 0.349 1.00 0.00 N ATOM 242 CA ASN A 112 69.694 14.393 0.401 1.00 0.00 C ATOM 243 C ASN A 112 69.585 15.575 1.359 1.00 0.00 C ATOM 244 O ASN A 112 70.505 15.846 2.131 1.00 0.00 O ATOM 245 CB ASN A 112 70.056 14.900 -0.997 1.00 0.00 C ATOM 246 CG ASN A 112 71.444 15.531 -0.980 1.00 0.00 C ATOM 247 OD1 ASN A 112 71.571 16.755 -1.006 1.00 0.00 O ATOM 248 ND2 ASN A 112 72.499 14.764 -0.937 1.00 0.00 N ATOM 0 H ASN A 112 68.018 13.595 -0.577 1.00 0.00 H new ATOM 0 HA ASN A 112 70.474 13.723 0.762 1.00 0.00 H new ATOM 0 HB2 ASN A 112 70.031 14.075 -1.710 1.00 0.00 H new ATOM 0 HB3 ASN A 112 69.319 15.631 -1.330 1.00 0.00 H new ATOM 0 HD21 ASN A 112 73.431 15.179 -0.925 1.00 0.00 H new ATOM 0 HD22 ASN A 112 72.392 13.750 -0.915 1.00 0.00 H new ATOM 255 N LYS A 113 68.457 16.276 1.305 1.00 0.00 N ATOM 256 CA LYS A 113 68.248 17.431 2.170 1.00 0.00 C ATOM 257 C LYS A 113 68.345 17.014 3.631 1.00 0.00 C ATOM 258 O LYS A 113 69.006 17.671 4.436 1.00 0.00 O ATOM 259 CB LYS A 113 66.872 18.044 1.899 1.00 0.00 C ATOM 260 CG LYS A 113 66.719 19.336 2.705 1.00 0.00 C ATOM 261 CD LYS A 113 65.310 19.898 2.507 1.00 0.00 C ATOM 262 CE LYS A 113 65.205 21.269 3.178 1.00 0.00 C ATOM 263 NZ LYS A 113 65.714 22.316 2.249 1.00 0.00 N ATOM 0 H LYS A 113 67.680 16.067 0.678 1.00 0.00 H new ATOM 0 HA LYS A 113 69.019 18.172 1.959 1.00 0.00 H new ATOM 0 HB2 LYS A 113 66.758 18.251 0.835 1.00 0.00 H new ATOM 0 HB3 LYS A 113 66.088 17.338 2.172 1.00 0.00 H new ATOM 0 HG2 LYS A 113 66.899 19.141 3.762 1.00 0.00 H new ATOM 0 HG3 LYS A 113 67.462 20.067 2.385 1.00 0.00 H new ATOM 0 HD2 LYS A 113 65.088 19.985 1.443 1.00 0.00 H new ATOM 0 HD3 LYS A 113 64.573 19.217 2.932 1.00 0.00 H new ATOM 0 HE2 LYS A 113 64.169 21.477 3.445 1.00 0.00 H new ATOM 0 HE3 LYS A 113 65.780 21.278 4.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 65.643 23.248 2.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 66.708 22.119 2.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 65.147 22.312 1.377 1.00 0.00 H new ATOM 277 N ASP A 114 67.677 15.915 3.963 1.00 0.00 N ATOM 278 CA ASP A 114 67.719 15.373 5.318 1.00 0.00 C ATOM 279 C ASP A 114 68.114 13.901 5.292 1.00 0.00 C ATOM 280 O ASP A 114 67.358 13.050 4.823 1.00 0.00 O ATOM 281 CB ASP A 114 66.346 15.521 5.980 1.00 0.00 C ATOM 282 CG ASP A 114 66.451 15.235 7.475 1.00 0.00 C ATOM 283 OD1 ASP A 114 67.234 14.374 7.841 1.00 0.00 O ATOM 284 OD2 ASP A 114 65.746 15.880 8.231 1.00 0.00 O ATOM 0 H ASP A 114 67.100 15.381 3.313 1.00 0.00 H new ATOM 0 HA ASP A 114 68.462 15.928 5.890 1.00 0.00 H new ATOM 0 HB2 ASP A 114 65.964 16.529 5.821 1.00 0.00 H new ATOM 0 HB3 ASP A 114 65.636 14.834 5.520 1.00 0.00 H new ATOM 289 N LEU A 115 69.311 13.602 5.787 1.00 0.00 N ATOM 290 CA LEU A 115 69.777 12.216 5.845 1.00 0.00 C ATOM 291 C LEU A 115 69.489 11.546 7.195 1.00 0.00 C ATOM 292 O LEU A 115 69.637 10.331 7.315 1.00 0.00 O ATOM 293 CB LEU A 115 71.283 12.150 5.566 1.00 0.00 C ATOM 294 CG LEU A 115 71.575 12.557 4.119 1.00 0.00 C ATOM 295 CD1 LEU A 115 73.088 12.681 3.924 1.00 0.00 C ATOM 296 CD2 LEU A 115 71.033 11.496 3.159 1.00 0.00 C ATOM 0 H LEU A 115 69.971 14.290 6.150 1.00 0.00 H new ATOM 0 HA LEU A 115 69.223 11.672 5.080 1.00 0.00 H new ATOM 0 HB2 LEU A 115 71.816 12.810 6.251 1.00 0.00 H new ATOM 0 HB3 LEU A 115 71.649 11.140 5.747 1.00 0.00 H new ATOM 0 HG LEU A 115 71.092 13.512 3.912 1.00 0.00 H new ATOM 0 HD11 LEU A 115 73.300 12.971 2.895 1.00 0.00 H new ATOM 0 HD12 LEU A 115 73.481 13.438 4.602 1.00 0.00 H new ATOM 0 HD13 LEU A 115 73.562 11.723 4.136 1.00 0.00 H new ATOM 0 HD21 LEU A 115 71.245 11.793 2.132 1.00 0.00 H new ATOM 0 HD22 LEU A 115 71.512 10.539 3.366 1.00 0.00 H new ATOM 0 HD23 LEU A 115 69.956 11.399 3.294 1.00 0.00 H new ATOM 308 N THR A 116 69.096 12.317 8.211 1.00 0.00 N ATOM 309 CA THR A 116 68.842 11.753 9.537 1.00 0.00 C ATOM 310 C THR A 116 67.381 11.330 9.734 1.00 0.00 C ATOM 311 O THR A 116 66.956 11.102 10.867 1.00 0.00 O ATOM 312 CB THR A 116 69.213 12.782 10.608 1.00 0.00 C ATOM 313 OG1 THR A 116 68.411 13.942 10.444 1.00 0.00 O ATOM 314 CG2 THR A 116 70.690 13.155 10.473 1.00 0.00 C ATOM 0 H THR A 116 68.948 13.324 8.142 1.00 0.00 H new ATOM 0 HA THR A 116 69.457 10.857 9.627 1.00 0.00 H new ATOM 0 HB THR A 116 69.040 12.357 11.596 1.00 0.00 H new ATOM 0 HG1 THR A 116 67.945 13.898 9.583 1.00 0.00 H new ATOM 0 HG21 THR A 116 70.952 13.888 11.237 1.00 0.00 H new ATOM 0 HG22 THR A 116 71.304 12.263 10.601 1.00 0.00 H new ATOM 0 HG23 THR A 116 70.869 13.580 9.486 1.00 0.00 H new ATOM 322 N SER A 117 66.608 11.221 8.651 1.00 0.00 N ATOM 323 CA SER A 117 65.214 10.798 8.753 1.00 0.00 C ATOM 324 C SER A 117 65.047 9.377 8.203 1.00 0.00 C ATOM 325 O SER A 117 64.848 9.217 6.997 1.00 0.00 O ATOM 326 CB SER A 117 64.338 11.755 7.943 1.00 0.00 C ATOM 327 OG SER A 117 63.040 11.195 7.799 1.00 0.00 O ATOM 0 H SER A 117 66.923 11.419 7.701 1.00 0.00 H new ATOM 0 HA SER A 117 64.915 10.811 9.801 1.00 0.00 H new ATOM 0 HB2 SER A 117 64.276 12.721 8.443 1.00 0.00 H new ATOM 0 HB3 SER A 117 64.781 11.931 6.963 1.00 0.00 H new ATOM 0 HG SER A 117 62.812 10.687 8.605 1.00 0.00 H new ATOM 333 N PRO A 118 65.088 8.350 9.029 1.00 0.00 N ATOM 334 CA PRO A 118 65.034 6.942 8.525 1.00 0.00 C ATOM 335 C PRO A 118 63.904 6.705 7.529 1.00 0.00 C ATOM 336 O PRO A 118 64.091 5.995 6.543 1.00 0.00 O ATOM 337 CB PRO A 118 64.833 6.094 9.781 1.00 0.00 C ATOM 338 CG PRO A 118 65.402 6.905 10.894 1.00 0.00 C ATOM 339 CD PRO A 118 65.214 8.370 10.502 1.00 0.00 C ATOM 0 HA PRO A 118 65.942 6.691 7.977 1.00 0.00 H new ATOM 0 HB2 PRO A 118 63.777 5.882 9.948 1.00 0.00 H new ATOM 0 HB3 PRO A 118 65.341 5.134 9.693 1.00 0.00 H new ATOM 0 HG2 PRO A 118 64.894 6.686 11.833 1.00 0.00 H new ATOM 0 HG3 PRO A 118 66.457 6.675 11.042 1.00 0.00 H new ATOM 0 HD2 PRO A 118 64.326 8.794 10.970 1.00 0.00 H new ATOM 0 HD3 PRO A 118 66.062 8.977 10.819 1.00 0.00 H new ATOM 347 N ASP A 119 62.741 7.305 7.771 1.00 0.00 N ATOM 348 CA ASP A 119 61.601 7.113 6.876 1.00 0.00 C ATOM 349 C ASP A 119 61.960 7.511 5.447 1.00 0.00 C ATOM 350 O ASP A 119 61.780 6.729 4.510 1.00 0.00 O ATOM 351 CB ASP A 119 60.399 7.930 7.359 1.00 0.00 C ATOM 352 CG ASP A 119 60.787 9.395 7.540 1.00 0.00 C ATOM 353 OD1 ASP A 119 60.682 10.140 6.581 1.00 0.00 O ATOM 354 OD2 ASP A 119 61.180 9.749 8.640 1.00 0.00 O ATOM 0 H ASP A 119 62.563 7.919 8.566 1.00 0.00 H new ATOM 0 HA ASP A 119 61.338 6.055 6.886 1.00 0.00 H new ATOM 0 HB2 ASP A 119 59.584 7.850 6.639 1.00 0.00 H new ATOM 0 HB3 ASP A 119 60.032 7.526 8.302 1.00 0.00 H new ATOM 359 N ALA A 120 62.498 8.715 5.284 1.00 0.00 N ATOM 360 CA ALA A 120 62.864 9.197 3.957 1.00 0.00 C ATOM 361 C ALA A 120 63.885 8.268 3.313 1.00 0.00 C ATOM 362 O ALA A 120 63.762 7.924 2.135 1.00 0.00 O ATOM 363 CB ALA A 120 63.439 10.613 4.041 1.00 0.00 C ATOM 0 H ALA A 120 62.689 9.368 6.044 1.00 0.00 H new ATOM 0 HA ALA A 120 61.963 9.214 3.343 1.00 0.00 H new ATOM 0 HB1 ALA A 120 63.707 10.957 3.042 1.00 0.00 H new ATOM 0 HB2 ALA A 120 62.693 11.284 4.468 1.00 0.00 H new ATOM 0 HB3 ALA A 120 64.327 10.608 4.673 1.00 0.00 H new ATOM 369 N GLN A 121 64.876 7.831 4.091 1.00 0.00 N ATOM 370 CA GLN A 121 65.911 6.953 3.547 1.00 0.00 C ATOM 371 C GLN A 121 65.274 5.679 3.007 1.00 0.00 C ATOM 372 O GLN A 121 65.550 5.270 1.883 1.00 0.00 O ATOM 373 CB GLN A 121 66.975 6.571 4.593 1.00 0.00 C ATOM 374 CG GLN A 121 67.379 7.745 5.503 1.00 0.00 C ATOM 375 CD GLN A 121 67.680 9.019 4.711 1.00 0.00 C ATOM 376 OE1 GLN A 121 68.555 9.027 3.846 1.00 0.00 O ATOM 377 NE2 GLN A 121 66.987 10.096 4.961 1.00 0.00 N ATOM 0 H GLN A 121 64.983 8.064 5.078 1.00 0.00 H new ATOM 0 HA GLN A 121 66.409 7.506 2.750 1.00 0.00 H new ATOM 0 HB2 GLN A 121 66.594 5.757 5.209 1.00 0.00 H new ATOM 0 HB3 GLN A 121 67.861 6.195 4.081 1.00 0.00 H new ATOM 0 HG2 GLN A 121 66.577 7.943 6.214 1.00 0.00 H new ATOM 0 HG3 GLN A 121 68.258 7.465 6.084 1.00 0.00 H new ATOM 0 HE21 GLN A 121 66.263 10.081 5.680 1.00 0.00 H new ATOM 0 HE22 GLN A 121 67.169 10.952 4.438 1.00 0.00 H new ATOM 386 N ALA A 122 64.357 5.102 3.779 1.00 0.00 N ATOM 387 CA ALA A 122 63.728 3.835 3.414 1.00 0.00 C ATOM 388 C ALA A 122 63.119 3.925 2.021 1.00 0.00 C ATOM 389 O ALA A 122 63.351 3.066 1.172 1.00 0.00 O ATOM 390 CB ALA A 122 62.641 3.479 4.430 1.00 0.00 C ATOM 0 H ALA A 122 64.032 5.493 4.663 1.00 0.00 H new ATOM 0 HA ALA A 122 64.491 3.057 3.415 1.00 0.00 H new ATOM 0 HB1 ALA A 122 62.177 2.533 4.150 1.00 0.00 H new ATOM 0 HB2 ALA A 122 63.085 3.386 5.421 1.00 0.00 H new ATOM 0 HB3 ALA A 122 61.885 4.264 4.444 1.00 0.00 H new ATOM 396 N ALA A 123 62.384 5.004 1.782 1.00 0.00 N ATOM 397 CA ALA A 123 61.747 5.194 0.483 1.00 0.00 C ATOM 398 C ALA A 123 62.800 5.225 -0.621 1.00 0.00 C ATOM 399 O ALA A 123 62.649 4.579 -1.657 1.00 0.00 O ATOM 400 CB ALA A 123 60.947 6.497 0.473 1.00 0.00 C ATOM 0 H ALA A 123 62.215 5.750 2.457 1.00 0.00 H new ATOM 0 HA ALA A 123 61.069 4.360 0.303 1.00 0.00 H new ATOM 0 HB1 ALA A 123 60.476 6.628 -0.501 1.00 0.00 H new ATOM 0 HB2 ALA A 123 60.178 6.458 1.245 1.00 0.00 H new ATOM 0 HB3 ALA A 123 61.615 7.336 0.669 1.00 0.00 H new ATOM 406 N PHE A 124 63.881 5.959 -0.385 1.00 0.00 N ATOM 407 CA PHE A 124 64.944 6.078 -1.378 1.00 0.00 C ATOM 408 C PHE A 124 65.518 4.707 -1.726 1.00 0.00 C ATOM 409 O PHE A 124 65.716 4.383 -2.895 1.00 0.00 O ATOM 410 CB PHE A 124 66.060 6.981 -0.848 1.00 0.00 C ATOM 411 CG PHE A 124 67.127 7.281 -1.875 1.00 0.00 C ATOM 412 CD1 PHE A 124 66.764 7.640 -3.178 1.00 0.00 C ATOM 413 CD2 PHE A 124 68.480 7.198 -1.523 1.00 0.00 C ATOM 414 CE1 PHE A 124 67.753 7.916 -4.130 1.00 0.00 C ATOM 415 CE2 PHE A 124 69.468 7.474 -2.475 1.00 0.00 C ATOM 416 CZ PHE A 124 69.105 7.833 -3.779 1.00 0.00 C ATOM 0 H PHE A 124 64.045 6.477 0.478 1.00 0.00 H new ATOM 0 HA PHE A 124 64.518 6.518 -2.280 1.00 0.00 H new ATOM 0 HB2 PHE A 124 65.625 7.919 -0.502 1.00 0.00 H new ATOM 0 HB3 PHE A 124 66.522 6.506 0.017 1.00 0.00 H new ATOM 0 HD1 PHE A 124 65.721 7.704 -3.449 1.00 0.00 H new ATOM 0 HD2 PHE A 124 68.761 6.921 -0.518 1.00 0.00 H new ATOM 0 HE1 PHE A 124 67.472 8.193 -5.135 1.00 0.00 H new ATOM 0 HE2 PHE A 124 70.511 7.410 -2.204 1.00 0.00 H new ATOM 0 HZ PHE A 124 69.868 8.046 -4.513 1.00 0.00 H new ATOM 426 N TYR A 125 65.762 3.893 -0.704 1.00 0.00 N ATOM 427 CA TYR A 125 66.342 2.569 -0.913 1.00 0.00 C ATOM 428 C TYR A 125 65.458 1.753 -1.853 1.00 0.00 C ATOM 429 O TYR A 125 65.935 1.145 -2.813 1.00 0.00 O ATOM 430 CB TYR A 125 66.473 1.826 0.422 1.00 0.00 C ATOM 431 CG TYR A 125 67.575 2.333 1.331 1.00 0.00 C ATOM 432 CD1 TYR A 125 68.913 2.023 1.066 1.00 0.00 C ATOM 433 CD2 TYR A 125 67.251 3.100 2.455 1.00 0.00 C ATOM 434 CE1 TYR A 125 69.923 2.484 1.924 1.00 0.00 C ATOM 435 CE2 TYR A 125 68.256 3.563 3.311 1.00 0.00 C ATOM 436 CZ TYR A 125 69.593 3.256 3.049 1.00 0.00 C ATOM 437 OH TYR A 125 70.584 3.713 3.899 1.00 0.00 O ATOM 0 H TYR A 125 65.569 4.123 0.271 1.00 0.00 H new ATOM 0 HA TYR A 125 67.331 2.694 -1.355 1.00 0.00 H new ATOM 0 HB2 TYR A 125 65.524 1.894 0.953 1.00 0.00 H new ATOM 0 HB3 TYR A 125 66.648 0.770 0.217 1.00 0.00 H new ATOM 0 HD1 TYR A 125 69.169 1.429 0.201 1.00 0.00 H new ATOM 0 HD2 TYR A 125 66.218 3.336 2.663 1.00 0.00 H new ATOM 0 HE1 TYR A 125 70.956 2.245 1.719 1.00 0.00 H new ATOM 0 HE2 TYR A 125 67.998 4.158 4.175 1.00 0.00 H new ATOM 0 HH TYR A 125 70.179 4.232 4.625 1.00 0.00 H new ATOM 447 N LYS A 126 64.158 1.770 -1.585 1.00 0.00 N ATOM 448 CA LYS A 126 63.211 1.006 -2.387 1.00 0.00 C ATOM 449 C LYS A 126 63.279 1.429 -3.848 1.00 0.00 C ATOM 450 O LYS A 126 63.336 0.591 -4.748 1.00 0.00 O ATOM 451 CB LYS A 126 61.792 1.229 -1.854 1.00 0.00 C ATOM 452 CG LYS A 126 61.683 0.703 -0.417 1.00 0.00 C ATOM 453 CD LYS A 126 60.254 0.232 -0.136 1.00 0.00 C ATOM 454 CE LYS A 126 60.163 -0.300 1.296 1.00 0.00 C ATOM 455 NZ LYS A 126 58.781 -0.794 1.555 1.00 0.00 N ATOM 0 H LYS A 126 63.737 2.301 -0.823 1.00 0.00 H new ATOM 0 HA LYS A 126 63.469 -0.051 -2.319 1.00 0.00 H new ATOM 0 HB2 LYS A 126 61.547 2.291 -1.881 1.00 0.00 H new ATOM 0 HB3 LYS A 126 61.070 0.719 -2.492 1.00 0.00 H new ATOM 0 HG2 LYS A 126 62.381 -0.121 -0.269 1.00 0.00 H new ATOM 0 HG3 LYS A 126 61.961 1.487 0.288 1.00 0.00 H new ATOM 0 HD2 LYS A 126 59.555 1.056 -0.274 1.00 0.00 H new ATOM 0 HD3 LYS A 126 59.971 -0.548 -0.843 1.00 0.00 H new ATOM 0 HE2 LYS A 126 60.882 -1.106 1.442 1.00 0.00 H new ATOM 0 HE3 LYS A 126 60.418 0.488 2.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 58.718 -1.156 2.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 58.105 -0.014 1.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 58.554 -1.558 0.886 1.00 0.00 H new ATOM 469 N LEU A 127 63.292 2.734 -4.076 1.00 0.00 N ATOM 470 CA LEU A 127 63.315 3.259 -5.435 1.00 0.00 C ATOM 471 C LEU A 127 64.535 2.744 -6.187 1.00 0.00 C ATOM 472 O LEU A 127 64.432 2.313 -7.335 1.00 0.00 O ATOM 473 CB LEU A 127 63.341 4.787 -5.405 1.00 0.00 C ATOM 474 CG LEU A 127 62.074 5.304 -4.725 1.00 0.00 C ATOM 475 CD1 LEU A 127 62.261 6.776 -4.357 1.00 0.00 C ATOM 476 CD2 LEU A 127 60.889 5.163 -5.683 1.00 0.00 C ATOM 0 H LEU A 127 63.287 3.445 -3.344 1.00 0.00 H new ATOM 0 HA LEU A 127 62.415 2.921 -5.949 1.00 0.00 H new ATOM 0 HB2 LEU A 127 64.223 5.136 -4.868 1.00 0.00 H new ATOM 0 HB3 LEU A 127 63.409 5.180 -6.419 1.00 0.00 H new ATOM 0 HG LEU A 127 61.881 4.725 -3.822 1.00 0.00 H new ATOM 0 HD11 LEU A 127 61.358 7.147 -3.872 1.00 0.00 H new ATOM 0 HD12 LEU A 127 63.106 6.876 -3.676 1.00 0.00 H new ATOM 0 HD13 LEU A 127 62.452 7.355 -5.260 1.00 0.00 H new ATOM 0 HD21 LEU A 127 59.984 5.531 -5.199 1.00 0.00 H new ATOM 0 HD22 LEU A 127 61.080 5.743 -6.586 1.00 0.00 H new ATOM 0 HD23 LEU A 127 60.758 4.114 -5.947 1.00 0.00 H new ATOM 488 N LEU A 128 65.686 2.764 -5.525 1.00 0.00 N ATOM 489 CA LEU A 128 66.927 2.359 -6.173 1.00 0.00 C ATOM 490 C LEU A 128 66.850 0.908 -6.635 1.00 0.00 C ATOM 491 O LEU A 128 67.316 0.578 -7.726 1.00 0.00 O ATOM 492 CB LEU A 128 68.112 2.534 -5.219 1.00 0.00 C ATOM 493 CG LEU A 128 68.608 3.982 -5.269 1.00 0.00 C ATOM 494 CD1 LEU A 128 69.527 4.248 -4.075 1.00 0.00 C ATOM 495 CD2 LEU A 128 69.384 4.209 -6.569 1.00 0.00 C ATOM 0 H LEU A 128 65.786 3.053 -4.552 1.00 0.00 H new ATOM 0 HA LEU A 128 67.073 2.997 -7.045 1.00 0.00 H new ATOM 0 HB2 LEU A 128 67.814 2.277 -4.203 1.00 0.00 H new ATOM 0 HB3 LEU A 128 68.918 1.854 -5.496 1.00 0.00 H new ATOM 0 HG LEU A 128 67.756 4.660 -5.230 1.00 0.00 H new ATOM 0 HD11 LEU A 128 69.880 5.279 -4.110 1.00 0.00 H new ATOM 0 HD12 LEU A 128 68.976 4.085 -3.149 1.00 0.00 H new ATOM 0 HD13 LEU A 128 70.380 3.571 -4.114 1.00 0.00 H new ATOM 0 HD21 LEU A 128 69.738 5.239 -6.606 1.00 0.00 H new ATOM 0 HD22 LEU A 128 70.237 3.531 -6.607 1.00 0.00 H new ATOM 0 HD23 LEU A 128 68.731 4.019 -7.421 1.00 0.00 H new ATOM 507 N LEU A 129 66.274 0.042 -5.806 1.00 0.00 N ATOM 508 CA LEU A 129 66.158 -1.367 -6.170 1.00 0.00 C ATOM 509 C LEU A 129 65.254 -1.538 -7.387 1.00 0.00 C ATOM 510 O LEU A 129 65.613 -2.219 -8.347 1.00 0.00 O ATOM 511 CB LEU A 129 65.599 -2.175 -4.998 1.00 0.00 C ATOM 512 CG LEU A 129 66.732 -2.533 -4.034 1.00 0.00 C ATOM 513 CD1 LEU A 129 66.142 -2.930 -2.681 1.00 0.00 C ATOM 514 CD2 LEU A 129 67.534 -3.706 -4.603 1.00 0.00 C ATOM 0 H LEU A 129 65.887 0.284 -4.894 1.00 0.00 H new ATOM 0 HA LEU A 129 67.154 -1.735 -6.417 1.00 0.00 H new ATOM 0 HB2 LEU A 129 64.834 -1.598 -4.478 1.00 0.00 H new ATOM 0 HB3 LEU A 129 65.120 -3.083 -5.365 1.00 0.00 H new ATOM 0 HG LEU A 129 67.387 -1.671 -3.907 1.00 0.00 H new ATOM 0 HD11 LEU A 129 66.948 -3.185 -1.993 1.00 0.00 H new ATOM 0 HD12 LEU A 129 65.569 -2.096 -2.275 1.00 0.00 H new ATOM 0 HD13 LEU A 129 65.487 -3.792 -2.808 1.00 0.00 H new ATOM 0 HD21 LEU A 129 68.341 -3.962 -3.917 1.00 0.00 H new ATOM 0 HD22 LEU A 129 66.879 -4.568 -4.729 1.00 0.00 H new ATOM 0 HD23 LEU A 129 67.954 -3.425 -5.569 1.00 0.00 H new ATOM 526 N GLN A 130 64.109 -0.868 -7.373 1.00 0.00 N ATOM 527 CA GLN A 130 63.149 -0.995 -8.465 1.00 0.00 C ATOM 528 C GLN A 130 63.772 -0.580 -9.793 1.00 0.00 C ATOM 529 O GLN A 130 63.530 -1.207 -10.824 1.00 0.00 O ATOM 530 CB GLN A 130 61.921 -0.125 -8.182 1.00 0.00 C ATOM 531 CG GLN A 130 61.193 -0.657 -6.945 1.00 0.00 C ATOM 532 CD GLN A 130 59.893 0.111 -6.735 1.00 0.00 C ATOM 533 OE1 GLN A 130 58.900 -0.149 -7.416 1.00 0.00 O ATOM 534 NE2 GLN A 130 59.838 1.047 -5.828 1.00 0.00 N ATOM 0 H GLN A 130 63.823 -0.236 -6.625 1.00 0.00 H new ATOM 0 HA GLN A 130 62.851 -2.041 -8.535 1.00 0.00 H new ATOM 0 HB2 GLN A 130 62.224 0.910 -8.022 1.00 0.00 H new ATOM 0 HB3 GLN A 130 61.251 -0.131 -9.042 1.00 0.00 H new ATOM 0 HG2 GLN A 130 60.982 -1.719 -7.066 1.00 0.00 H new ATOM 0 HG3 GLN A 130 61.830 -0.557 -6.066 1.00 0.00 H new ATOM 0 HE21 GLN A 130 60.661 1.261 -5.265 1.00 0.00 H new ATOM 0 HE22 GLN A 130 58.972 1.565 -5.682 1.00 0.00 H new ATOM 543 N SER A 131 64.574 0.480 -9.766 1.00 0.00 N ATOM 544 CA SER A 131 65.172 1.007 -10.991 1.00 0.00 C ATOM 545 C SER A 131 66.469 0.290 -11.388 1.00 0.00 C ATOM 546 O SER A 131 67.218 0.799 -12.222 1.00 0.00 O ATOM 547 CB SER A 131 65.454 2.499 -10.818 1.00 0.00 C ATOM 548 OG SER A 131 64.221 3.196 -10.693 1.00 0.00 O ATOM 0 H SER A 131 64.824 0.988 -8.918 1.00 0.00 H new ATOM 0 HA SER A 131 64.454 0.835 -11.793 1.00 0.00 H new ATOM 0 HB2 SER A 131 66.070 2.665 -9.935 1.00 0.00 H new ATOM 0 HB3 SER A 131 66.014 2.877 -11.673 1.00 0.00 H new ATOM 0 HG SER A 131 64.121 3.522 -9.774 1.00 0.00 H new ATOM 554 N ASN A 132 66.742 -0.881 -10.811 1.00 0.00 N ATOM 555 CA ASN A 132 67.924 -1.652 -11.181 1.00 0.00 C ATOM 556 C ASN A 132 69.203 -0.876 -10.861 1.00 0.00 C ATOM 557 O ASN A 132 70.098 -0.738 -11.696 1.00 0.00 O ATOM 558 CB ASN A 132 67.869 -2.005 -12.672 1.00 0.00 C ATOM 559 CG ASN A 132 68.824 -3.155 -12.976 1.00 0.00 C ATOM 560 OD1 ASN A 132 69.798 -3.366 -12.252 1.00 0.00 O ATOM 561 ND2 ASN A 132 68.603 -3.916 -14.013 1.00 0.00 N ATOM 0 H ASN A 132 66.163 -1.312 -10.090 1.00 0.00 H new ATOM 0 HA ASN A 132 67.935 -2.573 -10.598 1.00 0.00 H new ATOM 0 HB2 ASN A 132 66.853 -2.283 -12.950 1.00 0.00 H new ATOM 0 HB3 ASN A 132 68.136 -1.133 -13.270 1.00 0.00 H new ATOM 0 HD21 ASN A 132 69.237 -4.686 -14.225 1.00 0.00 H new ATOM 0 HD22 ASN A 132 67.796 -3.740 -14.612 1.00 0.00 H new ATOM 568 N TYR A 133 69.286 -0.373 -9.631 1.00 0.00 N ATOM 569 CA TYR A 133 70.480 0.343 -9.179 1.00 0.00 C ATOM 570 C TYR A 133 71.052 -0.275 -7.891 1.00 0.00 C ATOM 571 O TYR A 133 71.421 0.450 -6.958 1.00 0.00 O ATOM 572 CB TYR A 133 70.113 1.813 -8.932 1.00 0.00 C ATOM 573 CG TYR A 133 69.969 2.638 -10.187 1.00 0.00 C ATOM 574 CD1 TYR A 133 68.725 2.739 -10.821 1.00 0.00 C ATOM 575 CD2 TYR A 133 71.076 3.315 -10.709 1.00 0.00 C ATOM 576 CE1 TYR A 133 68.589 3.515 -11.978 1.00 0.00 C ATOM 577 CE2 TYR A 133 70.942 4.090 -11.868 1.00 0.00 C ATOM 578 CZ TYR A 133 69.697 4.191 -12.502 1.00 0.00 C ATOM 579 OH TYR A 133 69.564 4.956 -13.642 1.00 0.00 O ATOM 0 H TYR A 133 68.546 -0.446 -8.932 1.00 0.00 H new ATOM 0 HA TYR A 133 71.246 0.268 -9.951 1.00 0.00 H new ATOM 0 HB2 TYR A 133 69.176 1.853 -8.376 1.00 0.00 H new ATOM 0 HB3 TYR A 133 70.878 2.265 -8.300 1.00 0.00 H new ATOM 0 HD1 TYR A 133 67.870 2.218 -10.417 1.00 0.00 H new ATOM 0 HD2 TYR A 133 72.035 3.240 -10.218 1.00 0.00 H new ATOM 0 HE1 TYR A 133 67.629 3.592 -12.467 1.00 0.00 H new ATOM 0 HE2 TYR A 133 71.798 4.609 -12.273 1.00 0.00 H new ATOM 0 HH TYR A 133 70.429 5.357 -13.869 1.00 0.00 H new ATOM 589 N PRO A 134 71.235 -1.581 -7.832 1.00 0.00 N ATOM 590 CA PRO A 134 71.683 -2.243 -6.568 1.00 0.00 C ATOM 591 C PRO A 134 73.012 -1.676 -6.076 1.00 0.00 C ATOM 592 O PRO A 134 73.214 -1.485 -4.878 1.00 0.00 O ATOM 593 CB PRO A 134 71.803 -3.729 -6.921 1.00 0.00 C ATOM 594 CG PRO A 134 71.886 -3.783 -8.408 1.00 0.00 C ATOM 595 CD PRO A 134 71.129 -2.563 -8.928 1.00 0.00 C ATOM 0 HA PRO A 134 70.980 -2.074 -5.752 1.00 0.00 H new ATOM 0 HB2 PRO A 134 72.688 -4.170 -6.463 1.00 0.00 H new ATOM 0 HB3 PRO A 134 70.942 -4.289 -6.556 1.00 0.00 H new ATOM 0 HG2 PRO A 134 72.924 -3.766 -8.740 1.00 0.00 H new ATOM 0 HG3 PRO A 134 71.445 -4.704 -8.788 1.00 0.00 H new ATOM 0 HD2 PRO A 134 71.571 -2.182 -9.849 1.00 0.00 H new ATOM 0 HD3 PRO A 134 70.089 -2.803 -9.149 1.00 0.00 H new ATOM 603 N GLN A 135 73.910 -1.381 -7.011 1.00 0.00 N ATOM 604 CA GLN A 135 75.215 -0.834 -6.655 1.00 0.00 C ATOM 605 C GLN A 135 75.067 0.443 -5.830 1.00 0.00 C ATOM 606 O GLN A 135 75.808 0.663 -4.872 1.00 0.00 O ATOM 607 CB GLN A 135 76.018 -0.535 -7.923 1.00 0.00 C ATOM 608 CG GLN A 135 76.303 -1.841 -8.667 1.00 0.00 C ATOM 609 CD GLN A 135 77.021 -1.555 -9.984 1.00 0.00 C ATOM 610 OE1 GLN A 135 76.937 -0.447 -10.515 1.00 0.00 O ATOM 611 NE2 GLN A 135 77.726 -2.498 -10.547 1.00 0.00 N ATOM 0 H GLN A 135 73.761 -1.510 -8.012 1.00 0.00 H new ATOM 0 HA GLN A 135 75.742 -1.575 -6.054 1.00 0.00 H new ATOM 0 HB2 GLN A 135 75.462 0.148 -8.565 1.00 0.00 H new ATOM 0 HB3 GLN A 135 76.954 -0.039 -7.665 1.00 0.00 H new ATOM 0 HG2 GLN A 135 76.915 -2.495 -8.046 1.00 0.00 H new ATOM 0 HG3 GLN A 135 75.369 -2.368 -8.861 1.00 0.00 H new ATOM 0 HE21 GLN A 135 77.795 -3.415 -10.106 1.00 0.00 H new ATOM 0 HE22 GLN A 135 78.208 -2.318 -11.428 1.00 0.00 H new ATOM 620 N TYR A 136 74.080 1.265 -6.177 1.00 0.00 N ATOM 621 CA TYR A 136 73.859 2.519 -5.466 1.00 0.00 C ATOM 622 C TYR A 136 73.379 2.239 -4.046 1.00 0.00 C ATOM 623 O TYR A 136 73.837 2.859 -3.088 1.00 0.00 O ATOM 624 CB TYR A 136 72.817 3.363 -6.200 1.00 0.00 C ATOM 625 CG TYR A 136 73.381 4.138 -7.368 1.00 0.00 C ATOM 626 CD1 TYR A 136 74.230 3.506 -8.284 1.00 0.00 C ATOM 627 CD2 TYR A 136 73.055 5.488 -7.533 1.00 0.00 C ATOM 628 CE1 TYR A 136 74.754 4.225 -9.366 1.00 0.00 C ATOM 629 CE2 TYR A 136 73.577 6.208 -8.615 1.00 0.00 C ATOM 630 CZ TYR A 136 74.426 5.576 -9.531 1.00 0.00 C ATOM 631 OH TYR A 136 74.941 6.286 -10.596 1.00 0.00 O ATOM 0 H TYR A 136 73.426 1.087 -6.939 1.00 0.00 H new ATOM 0 HA TYR A 136 74.801 3.067 -5.425 1.00 0.00 H new ATOM 0 HB2 TYR A 136 72.020 2.711 -6.558 1.00 0.00 H new ATOM 0 HB3 TYR A 136 72.365 4.061 -5.495 1.00 0.00 H new ATOM 0 HD1 TYR A 136 74.481 2.463 -8.156 1.00 0.00 H new ATOM 0 HD2 TYR A 136 72.400 5.976 -6.826 1.00 0.00 H new ATOM 0 HE1 TYR A 136 75.410 3.738 -10.072 1.00 0.00 H new ATOM 0 HE2 TYR A 136 73.325 7.250 -8.743 1.00 0.00 H new ATOM 0 HH TYR A 136 74.613 7.209 -10.563 1.00 0.00 H new ATOM 641 N VAL A 137 72.475 1.270 -3.914 1.00 0.00 N ATOM 642 CA VAL A 137 71.936 0.900 -2.608 1.00 0.00 C ATOM 643 C VAL A 137 73.072 0.540 -1.653 1.00 0.00 C ATOM 644 O VAL A 137 73.079 0.959 -0.497 1.00 0.00 O ATOM 645 CB VAL A 137 70.979 -0.291 -2.761 1.00 0.00 C ATOM 646 CG1 VAL A 137 70.376 -0.683 -1.406 1.00 0.00 C ATOM 647 CG2 VAL A 137 69.842 0.092 -3.710 1.00 0.00 C ATOM 0 H VAL A 137 72.102 0.729 -4.694 1.00 0.00 H new ATOM 0 HA VAL A 137 71.388 1.748 -2.196 1.00 0.00 H new ATOM 0 HB VAL A 137 71.542 -1.136 -3.159 1.00 0.00 H new ATOM 0 HG11 VAL A 137 69.701 -1.529 -1.539 1.00 0.00 H new ATOM 0 HG12 VAL A 137 71.175 -0.961 -0.719 1.00 0.00 H new ATOM 0 HG13 VAL A 137 69.822 0.162 -0.996 1.00 0.00 H new ATOM 0 HG21 VAL A 137 69.161 -0.752 -3.821 1.00 0.00 H new ATOM 0 HG22 VAL A 137 69.300 0.945 -3.302 1.00 0.00 H new ATOM 0 HG23 VAL A 137 70.254 0.356 -4.684 1.00 0.00 H new ATOM 657 N VAL A 138 74.039 -0.217 -2.153 1.00 0.00 N ATOM 658 CA VAL A 138 75.144 -0.673 -1.314 1.00 0.00 C ATOM 659 C VAL A 138 75.997 0.509 -0.860 1.00 0.00 C ATOM 660 O VAL A 138 76.232 0.693 0.334 1.00 0.00 O ATOM 661 CB VAL A 138 76.007 -1.688 -2.076 1.00 0.00 C ATOM 662 CG1 VAL A 138 77.112 -2.230 -1.164 1.00 0.00 C ATOM 663 CG2 VAL A 138 75.136 -2.857 -2.547 1.00 0.00 C ATOM 0 H VAL A 138 74.083 -0.527 -3.124 1.00 0.00 H new ATOM 0 HA VAL A 138 74.728 -1.158 -0.431 1.00 0.00 H new ATOM 0 HB VAL A 138 76.455 -1.189 -2.935 1.00 0.00 H new ATOM 0 HG11 VAL A 138 77.718 -2.949 -1.715 1.00 0.00 H new ATOM 0 HG12 VAL A 138 77.742 -1.407 -0.827 1.00 0.00 H new ATOM 0 HG13 VAL A 138 76.663 -2.720 -0.300 1.00 0.00 H new ATOM 0 HG21 VAL A 138 75.752 -3.575 -3.088 1.00 0.00 H new ATOM 0 HG22 VAL A 138 74.683 -3.345 -1.684 1.00 0.00 H new ATOM 0 HG23 VAL A 138 74.352 -2.484 -3.206 1.00 0.00 H new ATOM 673 N SER A 139 76.433 1.328 -1.811 1.00 0.00 N ATOM 674 CA SER A 139 77.320 2.446 -1.495 1.00 0.00 C ATOM 675 C SER A 139 76.711 3.344 -0.419 1.00 0.00 C ATOM 676 O SER A 139 77.413 3.835 0.464 1.00 0.00 O ATOM 677 CB SER A 139 77.587 3.268 -2.755 1.00 0.00 C ATOM 678 OG SER A 139 78.097 2.415 -3.771 1.00 0.00 O ATOM 0 H SER A 139 76.191 1.242 -2.798 1.00 0.00 H new ATOM 0 HA SER A 139 78.257 2.039 -1.115 1.00 0.00 H new ATOM 0 HB2 SER A 139 76.668 3.746 -3.093 1.00 0.00 H new ATOM 0 HB3 SER A 139 78.300 4.064 -2.540 1.00 0.00 H new ATOM 0 HG SER A 139 77.356 1.937 -4.199 1.00 0.00 H new ATOM 684 N ARG A 140 75.403 3.551 -0.504 1.00 0.00 N ATOM 685 CA ARG A 140 74.704 4.413 0.444 1.00 0.00 C ATOM 686 C ARG A 140 74.586 3.757 1.816 1.00 0.00 C ATOM 687 O ARG A 140 74.979 4.348 2.820 1.00 0.00 O ATOM 688 CB ARG A 140 73.308 4.737 -0.091 1.00 0.00 C ATOM 689 CG ARG A 140 72.685 5.865 0.732 1.00 0.00 C ATOM 690 CD ARG A 140 71.256 6.114 0.250 1.00 0.00 C ATOM 691 NE ARG A 140 70.696 7.301 0.900 1.00 0.00 N ATOM 692 CZ ARG A 140 70.838 8.546 0.418 1.00 0.00 C ATOM 693 NH1 ARG A 140 71.510 8.799 -0.680 1.00 0.00 N ATOM 694 NH2 ARG A 140 70.290 9.538 1.063 1.00 0.00 N ATOM 0 H ARG A 140 74.805 3.135 -1.218 1.00 0.00 H new ATOM 0 HA ARG A 140 75.283 5.330 0.557 1.00 0.00 H new ATOM 0 HB2 ARG A 140 73.370 5.031 -1.139 1.00 0.00 H new ATOM 0 HB3 ARG A 140 72.676 3.850 -0.045 1.00 0.00 H new ATOM 0 HG2 ARG A 140 72.683 5.601 1.789 1.00 0.00 H new ATOM 0 HG3 ARG A 140 73.278 6.774 0.632 1.00 0.00 H new ATOM 0 HD2 ARG A 140 71.249 6.247 -0.832 1.00 0.00 H new ATOM 0 HD3 ARG A 140 70.635 5.245 0.469 1.00 0.00 H new ATOM 0 HE ARG A 140 70.170 7.175 1.765 1.00 0.00 H new ATOM 0 HH11 ARG A 140 71.946 8.036 -1.198 1.00 0.00 H new ATOM 0 HH12 ARG A 140 71.596 9.758 -1.015 1.00 0.00 H new ATOM 0 HH21 ARG A 140 69.764 9.361 1.919 1.00 0.00 H new ATOM 0 HH22 ARG A 140 70.387 10.491 0.712 1.00 0.00 H new ATOM 708 N PHE A 141 74.081 2.530 1.858 1.00 0.00 N ATOM 709 CA PHE A 141 73.858 1.850 3.131 1.00 0.00 C ATOM 710 C PHE A 141 75.147 1.750 3.953 1.00 0.00 C ATOM 711 O PHE A 141 75.106 1.768 5.182 1.00 0.00 O ATOM 712 CB PHE A 141 73.292 0.453 2.881 1.00 0.00 C ATOM 713 CG PHE A 141 72.910 -0.278 4.146 1.00 0.00 C ATOM 714 CD1 PHE A 141 71.681 -0.013 4.762 1.00 0.00 C ATOM 715 CD2 PHE A 141 73.783 -1.219 4.704 1.00 0.00 C ATOM 716 CE1 PHE A 141 71.325 -0.688 5.935 1.00 0.00 C ATOM 717 CE2 PHE A 141 73.428 -1.894 5.877 1.00 0.00 C ATOM 718 CZ PHE A 141 72.199 -1.629 6.493 1.00 0.00 C ATOM 0 H PHE A 141 73.820 1.988 1.034 1.00 0.00 H new ATOM 0 HA PHE A 141 73.142 2.440 3.704 1.00 0.00 H new ATOM 0 HB2 PHE A 141 72.415 0.535 2.239 1.00 0.00 H new ATOM 0 HB3 PHE A 141 74.030 -0.138 2.338 1.00 0.00 H new ATOM 0 HD1 PHE A 141 71.007 0.713 4.332 1.00 0.00 H new ATOM 0 HD2 PHE A 141 74.731 -1.424 4.229 1.00 0.00 H new ATOM 0 HE1 PHE A 141 70.377 -0.483 6.410 1.00 0.00 H new ATOM 0 HE2 PHE A 141 74.102 -2.620 6.307 1.00 0.00 H new ATOM 0 HZ PHE A 141 71.925 -2.150 7.398 1.00 0.00 H new ATOM 728 N GLU A 142 76.286 1.645 3.273 1.00 0.00 N ATOM 729 CA GLU A 142 77.571 1.498 3.957 1.00 0.00 C ATOM 730 C GLU A 142 78.100 2.808 4.551 1.00 0.00 C ATOM 731 O GLU A 142 79.077 2.779 5.297 1.00 0.00 O ATOM 732 CB GLU A 142 78.608 0.937 2.981 1.00 0.00 C ATOM 733 CG GLU A 142 78.319 -0.544 2.717 1.00 0.00 C ATOM 734 CD GLU A 142 78.511 -1.372 3.988 1.00 0.00 C ATOM 735 OE1 GLU A 142 79.286 -0.964 4.840 1.00 0.00 O ATOM 736 OE2 GLU A 142 77.875 -2.408 4.092 1.00 0.00 O ATOM 0 H GLU A 142 76.347 1.659 2.255 1.00 0.00 H new ATOM 0 HA GLU A 142 77.403 0.815 4.790 1.00 0.00 H new ATOM 0 HB2 GLU A 142 78.581 1.495 2.045 1.00 0.00 H new ATOM 0 HB3 GLU A 142 79.610 1.054 3.393 1.00 0.00 H new ATOM 0 HG2 GLU A 142 77.298 -0.660 2.353 1.00 0.00 H new ATOM 0 HG3 GLU A 142 78.981 -0.914 1.934 1.00 0.00 H new ATOM 743 N THR A 143 77.486 3.948 4.229 1.00 0.00 N ATOM 744 CA THR A 143 77.925 5.226 4.784 1.00 0.00 C ATOM 745 C THR A 143 77.252 5.474 6.141 1.00 0.00 C ATOM 746 O THR A 143 76.067 5.807 6.162 1.00 0.00 O ATOM 747 CB THR A 143 77.537 6.354 3.826 1.00 0.00 C ATOM 748 OG1 THR A 143 77.918 6.002 2.504 1.00 0.00 O ATOM 749 CG2 THR A 143 78.249 7.645 4.237 1.00 0.00 C ATOM 0 H THR A 143 76.691 4.011 3.593 1.00 0.00 H new ATOM 0 HA THR A 143 79.007 5.200 4.917 1.00 0.00 H new ATOM 0 HB THR A 143 76.459 6.509 3.866 1.00 0.00 H new ATOM 0 HG1 THR A 143 77.281 5.351 2.143 1.00 0.00 H new ATOM 0 HG21 THR A 143 77.971 8.447 3.553 1.00 0.00 H new ATOM 0 HG22 THR A 143 77.956 7.915 5.252 1.00 0.00 H new ATOM 0 HG23 THR A 143 79.328 7.493 4.199 1.00 0.00 H new ATOM 757 N PRO A 144 77.943 5.369 7.261 1.00 0.00 N ATOM 758 CA PRO A 144 77.278 5.483 8.601 1.00 0.00 C ATOM 759 C PRO A 144 76.531 6.806 8.804 1.00 0.00 C ATOM 760 O PRO A 144 75.721 6.928 9.724 1.00 0.00 O ATOM 761 CB PRO A 144 78.418 5.347 9.618 1.00 0.00 C ATOM 762 CG PRO A 144 79.547 4.724 8.872 1.00 0.00 C ATOM 763 CD PRO A 144 79.399 5.184 7.426 1.00 0.00 C ATOM 0 HA PRO A 144 76.511 4.716 8.708 1.00 0.00 H new ATOM 0 HB2 PRO A 144 78.703 6.319 10.020 1.00 0.00 H new ATOM 0 HB3 PRO A 144 78.118 4.728 10.463 1.00 0.00 H new ATOM 0 HG2 PRO A 144 80.507 5.036 9.284 1.00 0.00 H new ATOM 0 HG3 PRO A 144 79.508 3.637 8.942 1.00 0.00 H new ATOM 0 HD2 PRO A 144 79.943 6.111 7.244 1.00 0.00 H new ATOM 0 HD3 PRO A 144 79.789 4.443 6.729 1.00 0.00 H new ATOM 771 N GLY A 145 76.798 7.792 7.953 1.00 0.00 N ATOM 772 CA GLY A 145 76.181 9.108 8.099 1.00 0.00 C ATOM 773 C GLY A 145 74.682 9.101 7.784 1.00 0.00 C ATOM 774 O GLY A 145 73.948 9.972 8.250 1.00 0.00 O ATOM 0 H GLY A 145 77.433 7.707 7.160 1.00 0.00 H new ATOM 0 HA2 GLY A 145 76.331 9.463 9.118 1.00 0.00 H new ATOM 0 HA3 GLY A 145 76.683 9.815 7.438 1.00 0.00 H new ATOM 778 N ILE A 146 74.222 8.128 6.998 1.00 0.00 N ATOM 779 CA ILE A 146 72.825 8.090 6.579 1.00 0.00 C ATOM 780 C ILE A 146 72.032 7.125 7.458 1.00 0.00 C ATOM 781 O ILE A 146 72.511 6.049 7.814 1.00 0.00 O ATOM 782 CB ILE A 146 72.730 7.675 5.104 1.00 0.00 C ATOM 783 CG1 ILE A 146 73.544 8.650 4.246 1.00 0.00 C ATOM 784 CG2 ILE A 146 71.269 7.707 4.645 1.00 0.00 C ATOM 785 CD1 ILE A 146 73.661 8.117 2.816 1.00 0.00 C ATOM 0 H ILE A 146 74.793 7.362 6.642 1.00 0.00 H new ATOM 0 HA ILE A 146 72.397 9.086 6.691 1.00 0.00 H new ATOM 0 HB ILE A 146 73.123 6.664 4.994 1.00 0.00 H new ATOM 0 HG12 ILE A 146 73.065 9.629 4.240 1.00 0.00 H new ATOM 0 HG13 ILE A 146 74.537 8.784 4.675 1.00 0.00 H new ATOM 0 HG21 ILE A 146 71.210 7.411 3.598 1.00 0.00 H new ATOM 0 HG22 ILE A 146 70.682 7.016 5.251 1.00 0.00 H new ATOM 0 HG23 ILE A 146 70.874 8.716 4.760 1.00 0.00 H new ATOM 0 HD11 ILE A 146 74.241 8.816 2.213 1.00 0.00 H new ATOM 0 HD12 ILE A 146 74.160 7.148 2.829 1.00 0.00 H new ATOM 0 HD13 ILE A 146 72.665 8.007 2.386 1.00 0.00 H new ATOM 797 N ALA A 147 70.813 7.530 7.801 1.00 0.00 N ATOM 798 CA ALA A 147 69.962 6.744 8.687 1.00 0.00 C ATOM 799 C ALA A 147 69.650 5.371 8.097 1.00 0.00 C ATOM 800 O ALA A 147 69.724 5.157 6.882 1.00 0.00 O ATOM 801 CB ALA A 147 68.657 7.496 8.954 1.00 0.00 C ATOM 0 H ALA A 147 70.392 8.401 7.477 1.00 0.00 H new ATOM 0 HA ALA A 147 70.503 6.594 9.622 1.00 0.00 H new ATOM 0 HB1 ALA A 147 68.025 6.904 9.616 1.00 0.00 H new ATOM 0 HB2 ALA A 147 68.879 8.454 9.424 1.00 0.00 H new ATOM 0 HB3 ALA A 147 68.136 7.666 8.012 1.00 0.00 H new ATOM 807 N SER A 148 69.329 4.434 8.982 1.00 0.00 N ATOM 808 CA SER A 148 68.934 3.098 8.562 1.00 0.00 C ATOM 809 C SER A 148 67.861 2.540 9.493 1.00 0.00 C ATOM 810 O SER A 148 67.939 2.688 10.712 1.00 0.00 O ATOM 811 CB SER A 148 70.148 2.168 8.564 1.00 0.00 C ATOM 812 OG SER A 148 70.510 1.875 9.907 1.00 0.00 O ATOM 0 H SER A 148 69.335 4.576 9.992 1.00 0.00 H new ATOM 0 HA SER A 148 68.528 3.160 7.553 1.00 0.00 H new ATOM 0 HB2 SER A 148 69.917 1.247 8.028 1.00 0.00 H new ATOM 0 HB3 SER A 148 70.983 2.639 8.044 1.00 0.00 H new ATOM 0 HG SER A 148 71.287 1.278 9.914 1.00 0.00 H new ATOM 818 N SER A 149 66.863 1.898 8.899 1.00 0.00 N ATOM 819 CA SER A 149 65.788 1.261 9.656 1.00 0.00 C ATOM 820 C SER A 149 65.670 -0.205 9.236 1.00 0.00 C ATOM 821 O SER A 149 66.234 -0.587 8.212 1.00 0.00 O ATOM 822 CB SER A 149 64.463 1.983 9.397 1.00 0.00 C ATOM 823 OG SER A 149 64.422 2.441 8.051 1.00 0.00 O ATOM 0 H SER A 149 66.774 1.803 7.887 1.00 0.00 H new ATOM 0 HA SER A 149 66.017 1.317 10.720 1.00 0.00 H new ATOM 0 HB2 SER A 149 63.627 1.310 9.588 1.00 0.00 H new ATOM 0 HB3 SER A 149 64.357 2.825 10.081 1.00 0.00 H new ATOM 0 HG SER A 149 63.572 2.901 7.888 1.00 0.00 H new ATOM 829 N PRO A 150 64.979 -1.040 9.988 1.00 0.00 N ATOM 830 CA PRO A 150 64.819 -2.481 9.612 1.00 0.00 C ATOM 831 C PRO A 150 64.457 -2.664 8.138 1.00 0.00 C ATOM 832 O PRO A 150 65.023 -3.513 7.447 1.00 0.00 O ATOM 833 CB PRO A 150 63.691 -2.972 10.518 1.00 0.00 C ATOM 834 CG PRO A 150 63.769 -2.112 11.733 1.00 0.00 C ATOM 835 CD PRO A 150 64.301 -0.755 11.271 1.00 0.00 C ATOM 0 HA PRO A 150 65.747 -3.038 9.740 1.00 0.00 H new ATOM 0 HB2 PRO A 150 62.722 -2.876 10.028 1.00 0.00 H new ATOM 0 HB3 PRO A 150 63.818 -4.025 10.771 1.00 0.00 H new ATOM 0 HG2 PRO A 150 62.788 -2.007 12.197 1.00 0.00 H new ATOM 0 HG3 PRO A 150 64.429 -2.554 12.479 1.00 0.00 H new ATOM 0 HD2 PRO A 150 63.493 -0.035 11.141 1.00 0.00 H new ATOM 0 HD3 PRO A 150 64.992 -0.331 11.999 1.00 0.00 H new ATOM 843 N GLU A 151 63.538 -1.836 7.651 1.00 0.00 N ATOM 844 CA GLU A 151 63.142 -1.898 6.249 1.00 0.00 C ATOM 845 C GLU A 151 64.350 -1.644 5.351 1.00 0.00 C ATOM 846 O GLU A 151 64.570 -2.354 4.368 1.00 0.00 O ATOM 847 CB GLU A 151 62.057 -0.859 5.953 1.00 0.00 C ATOM 848 CG GLU A 151 60.749 -1.260 6.643 1.00 0.00 C ATOM 849 CD GLU A 151 60.775 -0.885 8.125 1.00 0.00 C ATOM 850 OE1 GLU A 151 61.473 0.053 8.477 1.00 0.00 O ATOM 851 OE2 GLU A 151 60.093 -1.546 8.891 1.00 0.00 O ATOM 0 H GLU A 151 63.058 -1.122 8.199 1.00 0.00 H new ATOM 0 HA GLU A 151 62.745 -2.893 6.047 1.00 0.00 H new ATOM 0 HB2 GLU A 151 62.376 0.123 6.302 1.00 0.00 H new ATOM 0 HB3 GLU A 151 61.901 -0.779 4.877 1.00 0.00 H new ATOM 0 HG2 GLU A 151 59.909 -0.766 6.154 1.00 0.00 H new ATOM 0 HG3 GLU A 151 60.593 -2.334 6.538 1.00 0.00 H new ATOM 858 N CYS A 152 65.149 -0.644 5.710 1.00 0.00 N ATOM 859 CA CYS A 152 66.326 -0.304 4.918 1.00 0.00 C ATOM 860 C CYS A 152 67.278 -1.492 4.836 1.00 0.00 C ATOM 861 O CYS A 152 67.832 -1.784 3.779 1.00 0.00 O ATOM 862 CB CYS A 152 67.053 0.888 5.540 1.00 0.00 C ATOM 863 SG CYS A 152 65.929 2.304 5.621 1.00 0.00 S ATOM 0 H CYS A 152 65.006 -0.061 6.534 1.00 0.00 H new ATOM 0 HA CYS A 152 65.997 -0.043 3.912 1.00 0.00 H new ATOM 0 HB2 CYS A 152 67.405 0.632 6.539 1.00 0.00 H new ATOM 0 HB3 CYS A 152 67.932 1.141 4.947 1.00 0.00 H new ATOM 0 HG CYS A 152 65.335 2.321 6.777 1.00 0.00 H new ATOM 869 N MET A 153 67.454 -2.186 5.954 1.00 0.00 N ATOM 870 CA MET A 153 68.371 -3.319 6.004 1.00 0.00 C ATOM 871 C MET A 153 67.972 -4.369 4.975 1.00 0.00 C ATOM 872 O MET A 153 68.811 -4.880 4.233 1.00 0.00 O ATOM 873 CB MET A 153 68.359 -3.942 7.403 1.00 0.00 C ATOM 874 CG MET A 153 68.858 -2.925 8.436 1.00 0.00 C ATOM 875 SD MET A 153 69.664 -3.801 9.800 1.00 0.00 S ATOM 876 CE MET A 153 71.135 -4.338 8.893 1.00 0.00 C ATOM 0 H MET A 153 66.977 -1.986 6.833 1.00 0.00 H new ATOM 0 HA MET A 153 69.375 -2.962 5.776 1.00 0.00 H new ATOM 0 HB2 MET A 153 67.349 -4.265 7.657 1.00 0.00 H new ATOM 0 HB3 MET A 153 68.991 -4.830 7.420 1.00 0.00 H new ATOM 0 HG2 MET A 153 69.558 -2.231 7.971 1.00 0.00 H new ATOM 0 HG3 MET A 153 68.024 -2.333 8.812 1.00 0.00 H new ATOM 0 HE1 MET A 153 71.228 -5.422 8.960 1.00 0.00 H new ATOM 0 HE2 MET A 153 71.044 -4.045 7.847 1.00 0.00 H new ATOM 0 HE3 MET A 153 72.020 -3.871 9.325 1.00 0.00 H new ATOM 886 N GLU A 154 66.680 -4.671 4.916 1.00 0.00 N ATOM 887 CA GLU A 154 66.183 -5.661 3.966 1.00 0.00 C ATOM 888 C GLU A 154 66.531 -5.245 2.540 1.00 0.00 C ATOM 889 O GLU A 154 67.013 -6.047 1.742 1.00 0.00 O ATOM 890 CB GLU A 154 64.667 -5.807 4.105 1.00 0.00 C ATOM 891 CG GLU A 154 64.330 -6.362 5.493 1.00 0.00 C ATOM 892 CD GLU A 154 62.827 -6.603 5.646 1.00 0.00 C ATOM 893 OE1 GLU A 154 62.055 -6.020 4.898 1.00 0.00 O ATOM 894 OE2 GLU A 154 62.465 -7.375 6.519 1.00 0.00 O ATOM 0 H GLU A 154 65.964 -4.250 5.508 1.00 0.00 H new ATOM 0 HA GLU A 154 66.656 -6.619 4.182 1.00 0.00 H new ATOM 0 HB2 GLU A 154 64.184 -4.841 3.961 1.00 0.00 H new ATOM 0 HB3 GLU A 154 64.283 -6.473 3.333 1.00 0.00 H new ATOM 0 HG2 GLU A 154 64.868 -7.296 5.654 1.00 0.00 H new ATOM 0 HG3 GLU A 154 64.668 -5.663 6.258 1.00 0.00 H new ATOM 901 N LEU A 155 66.305 -3.973 2.235 1.00 0.00 N ATOM 902 CA LEU A 155 66.596 -3.455 0.902 1.00 0.00 C ATOM 903 C LEU A 155 68.074 -3.636 0.566 1.00 0.00 C ATOM 904 O LEU A 155 68.430 -4.025 -0.546 1.00 0.00 O ATOM 905 CB LEU A 155 66.210 -1.974 0.830 1.00 0.00 C ATOM 906 CG LEU A 155 64.697 -1.830 1.033 1.00 0.00 C ATOM 907 CD1 LEU A 155 64.360 -0.381 1.391 1.00 0.00 C ATOM 908 CD2 LEU A 155 63.954 -2.209 -0.251 1.00 0.00 C ATOM 0 H LEU A 155 65.925 -3.286 2.885 1.00 0.00 H new ATOM 0 HA LEU A 155 66.011 -4.013 0.171 1.00 0.00 H new ATOM 0 HB2 LEU A 155 66.746 -1.410 1.594 1.00 0.00 H new ATOM 0 HB3 LEU A 155 66.500 -1.558 -0.135 1.00 0.00 H new ATOM 0 HG LEU A 155 64.389 -2.494 1.841 1.00 0.00 H new ATOM 0 HD11 LEU A 155 63.284 -0.282 1.534 1.00 0.00 H new ATOM 0 HD12 LEU A 155 64.876 -0.104 2.311 1.00 0.00 H new ATOM 0 HD13 LEU A 155 64.680 0.277 0.583 1.00 0.00 H new ATOM 0 HD21 LEU A 155 62.880 -2.103 -0.095 1.00 0.00 H new ATOM 0 HD22 LEU A 155 64.270 -1.552 -1.061 1.00 0.00 H new ATOM 0 HD23 LEU A 155 64.182 -3.242 -0.512 1.00 0.00 H new ATOM 920 N TYR A 156 68.934 -3.381 1.543 1.00 0.00 N ATOM 921 CA TYR A 156 70.372 -3.528 1.347 1.00 0.00 C ATOM 922 C TYR A 156 70.703 -4.955 0.924 1.00 0.00 C ATOM 923 O TYR A 156 71.464 -5.178 -0.016 1.00 0.00 O ATOM 924 CB TYR A 156 71.098 -3.178 2.651 1.00 0.00 C ATOM 925 CG TYR A 156 72.594 -3.390 2.609 1.00 0.00 C ATOM 926 CD1 TYR A 156 73.383 -2.672 1.701 1.00 0.00 C ATOM 927 CD2 TYR A 156 73.191 -4.303 3.486 1.00 0.00 C ATOM 928 CE1 TYR A 156 74.769 -2.870 1.672 1.00 0.00 C ATOM 929 CE2 TYR A 156 74.576 -4.499 3.456 1.00 0.00 C ATOM 930 CZ TYR A 156 75.365 -3.782 2.549 1.00 0.00 C ATOM 931 OH TYR A 156 76.731 -3.978 2.519 1.00 0.00 O ATOM 0 H TYR A 156 68.663 -3.072 2.477 1.00 0.00 H new ATOM 0 HA TYR A 156 70.701 -2.852 0.558 1.00 0.00 H new ATOM 0 HB2 TYR A 156 70.898 -2.135 2.895 1.00 0.00 H new ATOM 0 HB3 TYR A 156 70.680 -3.780 3.458 1.00 0.00 H new ATOM 0 HD1 TYR A 156 72.923 -1.967 1.024 1.00 0.00 H new ATOM 0 HD2 TYR A 156 72.582 -4.856 4.186 1.00 0.00 H new ATOM 0 HE1 TYR A 156 75.378 -2.318 0.972 1.00 0.00 H new ATOM 0 HE2 TYR A 156 75.036 -5.204 4.133 1.00 0.00 H new ATOM 0 HH TYR A 156 77.186 -3.150 2.779 1.00 0.00 H new ATOM 941 N MET A 157 70.102 -5.921 1.609 1.00 0.00 N ATOM 942 CA MET A 157 70.341 -7.325 1.297 1.00 0.00 C ATOM 943 C MET A 157 69.987 -7.616 -0.156 1.00 0.00 C ATOM 944 O MET A 157 70.749 -8.254 -0.880 1.00 0.00 O ATOM 945 CB MET A 157 69.491 -8.217 2.207 1.00 0.00 C ATOM 946 CG MET A 157 69.873 -9.689 2.011 1.00 0.00 C ATOM 947 SD MET A 157 68.419 -10.731 2.290 1.00 0.00 S ATOM 948 CE MET A 157 68.208 -10.367 4.049 1.00 0.00 C ATOM 0 H MET A 157 69.451 -5.760 2.378 1.00 0.00 H new ATOM 0 HA MET A 157 71.398 -7.536 1.459 1.00 0.00 H new ATOM 0 HB2 MET A 157 69.638 -7.931 3.249 1.00 0.00 H new ATOM 0 HB3 MET A 157 68.434 -8.075 1.983 1.00 0.00 H new ATOM 0 HG2 MET A 157 70.258 -9.845 1.003 1.00 0.00 H new ATOM 0 HG3 MET A 157 70.669 -9.964 2.702 1.00 0.00 H new ATOM 0 HE1 MET A 157 67.549 -11.110 4.498 1.00 0.00 H new ATOM 0 HE2 MET A 157 69.178 -10.395 4.545 1.00 0.00 H new ATOM 0 HE3 MET A 157 67.769 -9.376 4.165 1.00 0.00 H new ATOM 958 N GLU A 158 68.832 -7.121 -0.582 1.00 0.00 N ATOM 959 CA GLU A 158 68.352 -7.390 -1.932 1.00 0.00 C ATOM 960 C GLU A 158 69.368 -6.917 -2.964 1.00 0.00 C ATOM 961 O GLU A 158 69.695 -7.641 -3.904 1.00 0.00 O ATOM 962 CB GLU A 158 67.015 -6.685 -2.164 1.00 0.00 C ATOM 963 CG GLU A 158 65.957 -7.271 -1.223 1.00 0.00 C ATOM 964 CD GLU A 158 64.580 -6.655 -1.480 1.00 0.00 C ATOM 965 OE1 GLU A 158 64.511 -5.580 -2.057 1.00 0.00 O ATOM 966 OE2 GLU A 158 63.603 -7.275 -1.091 1.00 0.00 O ATOM 0 H GLU A 158 68.215 -6.536 -0.018 1.00 0.00 H new ATOM 0 HA GLU A 158 68.215 -8.466 -2.041 1.00 0.00 H new ATOM 0 HB2 GLU A 158 67.121 -5.615 -1.987 1.00 0.00 H new ATOM 0 HB3 GLU A 158 66.702 -6.808 -3.201 1.00 0.00 H new ATOM 0 HG2 GLU A 158 65.905 -8.351 -1.359 1.00 0.00 H new ATOM 0 HG3 GLU A 158 66.250 -7.093 -0.188 1.00 0.00 H new ATOM 973 N ALA A 159 69.892 -5.712 -2.765 1.00 0.00 N ATOM 974 CA ALA A 159 70.850 -5.150 -3.711 1.00 0.00 C ATOM 975 C ALA A 159 72.080 -6.046 -3.814 1.00 0.00 C ATOM 976 O ALA A 159 72.540 -6.367 -4.910 1.00 0.00 O ATOM 977 CB ALA A 159 71.270 -3.747 -3.273 1.00 0.00 C ATOM 0 H ALA A 159 69.674 -5.113 -1.969 1.00 0.00 H new ATOM 0 HA ALA A 159 70.372 -5.088 -4.688 1.00 0.00 H new ATOM 0 HB1 ALA A 159 71.985 -3.341 -3.989 1.00 0.00 H new ATOM 0 HB2 ALA A 159 70.393 -3.101 -3.230 1.00 0.00 H new ATOM 0 HB3 ALA A 159 71.732 -3.797 -2.287 1.00 0.00 H new ATOM 983 N LEU A 160 72.593 -6.480 -2.667 1.00 0.00 N ATOM 984 CA LEU A 160 73.785 -7.323 -2.645 1.00 0.00 C ATOM 985 C LEU A 160 73.568 -8.577 -3.482 1.00 0.00 C ATOM 986 O LEU A 160 74.444 -8.994 -4.239 1.00 0.00 O ATOM 987 CB LEU A 160 74.116 -7.735 -1.209 1.00 0.00 C ATOM 988 CG LEU A 160 74.510 -6.506 -0.387 1.00 0.00 C ATOM 989 CD1 LEU A 160 74.640 -6.901 1.087 1.00 0.00 C ATOM 990 CD2 LEU A 160 75.850 -5.965 -0.890 1.00 0.00 C ATOM 0 H LEU A 160 72.207 -6.265 -1.748 1.00 0.00 H new ATOM 0 HA LEU A 160 74.613 -6.749 -3.062 1.00 0.00 H new ATOM 0 HB2 LEU A 160 73.254 -8.225 -0.755 1.00 0.00 H new ATOM 0 HB3 LEU A 160 74.931 -8.459 -1.209 1.00 0.00 H new ATOM 0 HG LEU A 160 73.745 -5.736 -0.492 1.00 0.00 H new ATOM 0 HD11 LEU A 160 74.921 -6.027 1.675 1.00 0.00 H new ATOM 0 HD12 LEU A 160 73.686 -7.288 1.445 1.00 0.00 H new ATOM 0 HD13 LEU A 160 75.406 -7.670 1.192 1.00 0.00 H new ATOM 0 HD21 LEU A 160 76.132 -5.089 -0.305 1.00 0.00 H new ATOM 0 HD22 LEU A 160 76.616 -6.734 -0.784 1.00 0.00 H new ATOM 0 HD23 LEU A 160 75.759 -5.686 -1.940 1.00 0.00 H new ATOM 1002 N GLN A 161 72.395 -9.175 -3.332 1.00 0.00 N ATOM 1003 CA GLN A 161 72.065 -10.387 -4.070 1.00 0.00 C ATOM 1004 C GLN A 161 72.107 -10.123 -5.571 1.00 0.00 C ATOM 1005 O GLN A 161 72.705 -10.884 -6.330 1.00 0.00 O ATOM 1006 CB GLN A 161 70.675 -10.872 -3.652 1.00 0.00 C ATOM 1007 CG GLN A 161 70.695 -11.210 -2.158 1.00 0.00 C ATOM 1008 CD GLN A 161 69.281 -11.425 -1.619 1.00 0.00 C ATOM 1009 OE1 GLN A 161 68.294 -11.179 -2.315 1.00 0.00 O ATOM 1010 NE2 GLN A 161 69.127 -11.867 -0.401 1.00 0.00 N ATOM 0 H GLN A 161 71.659 -8.843 -2.709 1.00 0.00 H new ATOM 0 HA GLN A 161 72.799 -11.159 -3.840 1.00 0.00 H new ATOM 0 HB2 GLN A 161 69.931 -10.102 -3.854 1.00 0.00 H new ATOM 0 HB3 GLN A 161 70.392 -11.750 -4.233 1.00 0.00 H new ATOM 0 HG2 GLN A 161 71.290 -12.109 -1.994 1.00 0.00 H new ATOM 0 HG3 GLN A 161 71.178 -10.403 -1.607 1.00 0.00 H new ATOM 0 HE21 GLN A 161 69.944 -12.071 0.175 1.00 0.00 H new ATOM 0 HE22 GLN A 161 68.190 -12.009 -0.025 1.00 0.00 H new ATOM 1019 N ARG A 162 71.532 -9.001 -5.988 1.00 0.00 N ATOM 1020 CA ARG A 162 71.474 -8.661 -7.405 1.00 0.00 C ATOM 1021 C ARG A 162 72.869 -8.633 -8.022 1.00 0.00 C ATOM 1022 O ARG A 162 73.077 -9.129 -9.129 1.00 0.00 O ATOM 1023 CB ARG A 162 70.822 -7.286 -7.586 1.00 0.00 C ATOM 1024 CG ARG A 162 69.351 -7.335 -7.153 1.00 0.00 C ATOM 1025 CD ARG A 162 68.533 -6.322 -7.959 1.00 0.00 C ATOM 1026 NE ARG A 162 68.394 -6.770 -9.348 1.00 0.00 N ATOM 1027 CZ ARG A 162 67.429 -6.337 -10.174 1.00 0.00 C ATOM 1028 NH1 ARG A 162 66.520 -5.471 -9.794 1.00 0.00 N ATOM 1029 NH2 ARG A 162 67.392 -6.793 -11.396 1.00 0.00 N ATOM 0 H ARG A 162 71.101 -8.314 -5.369 1.00 0.00 H new ATOM 0 HA ARG A 162 70.882 -9.425 -7.908 1.00 0.00 H new ATOM 0 HB2 ARG A 162 71.357 -6.541 -6.997 1.00 0.00 H new ATOM 0 HB3 ARG A 162 70.891 -6.977 -8.629 1.00 0.00 H new ATOM 0 HG2 ARG A 162 68.952 -8.338 -7.303 1.00 0.00 H new ATOM 0 HG3 ARG A 162 69.269 -7.116 -6.088 1.00 0.00 H new ATOM 0 HD2 ARG A 162 67.548 -6.200 -7.509 1.00 0.00 H new ATOM 0 HD3 ARG A 162 69.020 -5.347 -7.931 1.00 0.00 H new ATOM 0 HE ARG A 162 69.067 -7.448 -9.706 1.00 0.00 H new ATOM 0 HH11 ARG A 162 66.532 -5.104 -8.842 1.00 0.00 H new ATOM 0 HH12 ARG A 162 65.802 -5.165 -10.450 1.00 0.00 H new ATOM 0 HH21 ARG A 162 68.090 -7.468 -11.710 1.00 0.00 H new ATOM 0 HH22 ARG A 162 66.665 -6.475 -12.037 1.00 0.00 H new ATOM 1043 N ILE A 163 73.821 -8.052 -7.300 1.00 0.00 N ATOM 1044 CA ILE A 163 75.167 -7.870 -7.847 1.00 0.00 C ATOM 1045 C ILE A 163 76.097 -9.064 -7.596 1.00 0.00 C ATOM 1046 O ILE A 163 77.310 -8.945 -7.766 1.00 0.00 O ATOM 1047 CB ILE A 163 75.800 -6.590 -7.293 1.00 0.00 C ATOM 1048 CG1 ILE A 163 75.800 -6.614 -5.764 1.00 0.00 C ATOM 1049 CG2 ILE A 163 74.999 -5.381 -7.781 1.00 0.00 C ATOM 1050 CD1 ILE A 163 76.621 -5.434 -5.238 1.00 0.00 C ATOM 0 H ILE A 163 73.693 -7.703 -6.350 1.00 0.00 H new ATOM 0 HA ILE A 163 75.047 -7.790 -8.927 1.00 0.00 H new ATOM 0 HB ILE A 163 76.830 -6.523 -7.644 1.00 0.00 H new ATOM 0 HG12 ILE A 163 74.778 -6.557 -5.388 1.00 0.00 H new ATOM 0 HG13 ILE A 163 76.220 -7.553 -5.404 1.00 0.00 H new ATOM 0 HG21 ILE A 163 75.445 -4.467 -7.390 1.00 0.00 H new ATOM 0 HG22 ILE A 163 75.010 -5.353 -8.871 1.00 0.00 H new ATOM 0 HG23 ILE A 163 73.970 -5.461 -7.431 1.00 0.00 H new ATOM 0 HD11 ILE A 163 76.622 -5.449 -4.148 1.00 0.00 H new ATOM 0 HD12 ILE A 163 77.645 -5.512 -5.603 1.00 0.00 H new ATOM 0 HD13 ILE A 163 76.181 -4.500 -5.587 1.00 0.00 H new ATOM 1062 N GLY A 164 75.544 -10.207 -7.196 1.00 0.00 N ATOM 1063 CA GLY A 164 76.333 -11.432 -7.080 1.00 0.00 C ATOM 1064 C GLY A 164 77.213 -11.469 -5.829 1.00 0.00 C ATOM 1065 O GLY A 164 78.216 -12.184 -5.801 1.00 0.00 O ATOM 0 H GLY A 164 74.560 -10.311 -6.948 1.00 0.00 H new ATOM 0 HA2 GLY A 164 75.660 -12.289 -7.068 1.00 0.00 H new ATOM 0 HA3 GLY A 164 76.964 -11.534 -7.963 1.00 0.00 H new ATOM 1069 N ARG A 165 76.849 -10.707 -4.800 1.00 0.00 N ATOM 1070 CA ARG A 165 77.581 -10.747 -3.538 1.00 0.00 C ATOM 1071 C ARG A 165 76.879 -11.675 -2.552 1.00 0.00 C ATOM 1072 O ARG A 165 76.069 -11.234 -1.738 1.00 0.00 O ATOM 1073 CB ARG A 165 77.685 -9.342 -2.940 1.00 0.00 C ATOM 1074 CG ARG A 165 78.558 -8.466 -3.842 1.00 0.00 C ATOM 1075 CD ARG A 165 78.752 -7.098 -3.187 1.00 0.00 C ATOM 1076 NE ARG A 165 79.288 -6.140 -4.158 1.00 0.00 N ATOM 1077 CZ ARG A 165 79.752 -4.926 -3.822 1.00 0.00 C ATOM 1078 NH1 ARG A 165 79.760 -4.499 -2.583 1.00 0.00 N ATOM 1079 NH2 ARG A 165 80.211 -4.145 -4.761 1.00 0.00 N ATOM 0 H ARG A 165 76.060 -10.061 -4.815 1.00 0.00 H new ATOM 0 HA ARG A 165 78.585 -11.125 -3.732 1.00 0.00 H new ATOM 0 HB2 ARG A 165 76.692 -8.903 -2.840 1.00 0.00 H new ATOM 0 HB3 ARG A 165 78.113 -9.392 -1.939 1.00 0.00 H new ATOM 0 HG2 ARG A 165 79.524 -8.943 -4.006 1.00 0.00 H new ATOM 0 HG3 ARG A 165 78.089 -8.350 -4.819 1.00 0.00 H new ATOM 0 HD2 ARG A 165 77.801 -6.736 -2.796 1.00 0.00 H new ATOM 0 HD3 ARG A 165 79.432 -7.186 -2.340 1.00 0.00 H new ATOM 0 HE ARG A 165 79.310 -6.410 -5.141 1.00 0.00 H new ATOM 0 HH11 ARG A 165 79.406 -5.096 -1.836 1.00 0.00 H new ATOM 0 HH12 ARG A 165 80.121 -3.570 -2.366 1.00 0.00 H new ATOM 0 HH21 ARG A 165 80.213 -4.460 -5.731 1.00 0.00 H new ATOM 0 HH22 ARG A 165 80.568 -3.219 -4.525 1.00 0.00 H new