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 80:sc= 0.919 USER MOD Single : A 103 MET CE :methyl 128:sc= -0.162 (180deg=-1) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 112 ASN : amide:sc= -0.958 K(o=-0.96,f=-3!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 121 GLN : amide:sc= 0.992 K(o=0.99,f=-5.4!) 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 100:sc= -0.157 USER MOD Single : A 132 ASN : amide:sc= -0.352 K(o=-0.35,f=-3.2!) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 139 SER OG : rot 82:sc= 0.201 USER MOD Single : A 143 THR OG1 : rot 76:sc= 0.116 USER MOD Single : A 148 SER OG : rot 180:sc= 0 USER MOD Single : A 153 MET CE :methyl -125:sc= -0.443 (180deg=-3.44!) USER MOD Single : A 156 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 MET CE :methyl 138:sc= -0.253 (180deg=-1.34!) USER MOD Single : A 161 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 100 N MET A 103 60.285 10.992 -11.061 1.00 0.00 N ATOM 101 CA MET A 103 59.922 10.523 -9.728 1.00 0.00 C ATOM 102 C MET A 103 61.166 10.202 -8.905 1.00 0.00 C ATOM 103 O MET A 103 61.297 10.639 -7.761 1.00 0.00 O ATOM 104 CB MET A 103 59.044 9.274 -9.836 1.00 0.00 C ATOM 105 CG MET A 103 57.702 9.644 -10.469 1.00 0.00 C ATOM 106 SD MET A 103 56.595 8.213 -10.418 1.00 0.00 S ATOM 107 CE MET A 103 56.266 8.244 -8.638 1.00 0.00 C ATOM 0 HA MET A 103 59.369 11.318 -9.227 1.00 0.00 H new ATOM 0 HB2 MET A 103 59.545 8.516 -10.438 1.00 0.00 H new ATOM 0 HB3 MET A 103 58.885 8.842 -8.848 1.00 0.00 H new ATOM 0 HG2 MET A 103 57.255 10.482 -9.935 1.00 0.00 H new ATOM 0 HG3 MET A 103 57.851 9.966 -11.500 1.00 0.00 H new ATOM 0 HE1 MET A 103 55.190 8.231 -8.467 1.00 0.00 H new ATOM 0 HE2 MET A 103 56.718 7.370 -8.169 1.00 0.00 H new ATOM 0 HE3 MET A 103 56.692 9.149 -8.205 1.00 0.00 H new ATOM 117 N LEU A 104 62.093 9.458 -9.503 1.00 0.00 N ATOM 118 CA LEU A 104 63.313 9.069 -8.805 1.00 0.00 C ATOM 119 C LEU A 104 64.059 10.295 -8.285 1.00 0.00 C ATOM 120 O LEU A 104 64.456 10.344 -7.122 1.00 0.00 O ATOM 121 CB LEU A 104 64.230 8.283 -9.746 1.00 0.00 C ATOM 122 CG LEU A 104 63.533 7.002 -10.209 1.00 0.00 C ATOM 123 CD1 LEU A 104 64.387 6.312 -11.274 1.00 0.00 C ATOM 124 CD2 LEU A 104 63.349 6.059 -9.017 1.00 0.00 C ATOM 0 H LEU A 104 62.023 9.115 -10.461 1.00 0.00 H new ATOM 0 HA LEU A 104 63.031 8.443 -7.959 1.00 0.00 H new ATOM 0 HB2 LEU A 104 64.491 8.896 -10.608 1.00 0.00 H new ATOM 0 HB3 LEU A 104 65.161 8.036 -9.237 1.00 0.00 H new ATOM 0 HG LEU A 104 62.559 7.253 -10.629 1.00 0.00 H new ATOM 0 HD11 LEU A 104 63.890 5.399 -11.604 1.00 0.00 H new ATOM 0 HD12 LEU A 104 64.519 6.981 -12.124 1.00 0.00 H new ATOM 0 HD13 LEU A 104 65.362 6.063 -10.854 1.00 0.00 H new ATOM 0 HD21 LEU A 104 62.852 5.147 -9.348 1.00 0.00 H new ATOM 0 HD22 LEU A 104 64.323 5.810 -8.597 1.00 0.00 H new ATOM 0 HD23 LEU A 104 62.740 6.548 -8.257 1.00 0.00 H new ATOM 136 N ALA A 105 64.222 11.296 -9.143 1.00 0.00 N ATOM 137 CA ALA A 105 64.993 12.480 -8.780 1.00 0.00 C ATOM 138 C ALA A 105 64.382 13.195 -7.579 1.00 0.00 C ATOM 139 O ALA A 105 65.081 13.508 -6.617 1.00 0.00 O ATOM 140 CB ALA A 105 65.066 13.441 -9.967 1.00 0.00 C ATOM 0 H ALA A 105 63.835 11.312 -10.086 1.00 0.00 H new ATOM 0 HA ALA A 105 65.997 12.155 -8.509 1.00 0.00 H new ATOM 0 HB1 ALA A 105 65.643 14.322 -9.687 1.00 0.00 H new ATOM 0 HB2 ALA A 105 65.548 12.944 -10.809 1.00 0.00 H new ATOM 0 HB3 ALA A 105 64.059 13.743 -10.253 1.00 0.00 H new ATOM 146 N THR A 106 63.076 13.442 -7.623 1.00 0.00 N ATOM 147 CA THR A 106 62.403 14.152 -6.536 1.00 0.00 C ATOM 148 C THR A 106 62.671 13.483 -5.188 1.00 0.00 C ATOM 149 O THR A 106 63.116 14.129 -4.238 1.00 0.00 O ATOM 150 CB THR A 106 60.897 14.193 -6.795 1.00 0.00 C ATOM 151 OG1 THR A 106 60.656 14.714 -8.095 1.00 0.00 O ATOM 152 CG2 THR A 106 60.221 15.085 -5.753 1.00 0.00 C ATOM 0 H THR A 106 62.466 13.165 -8.392 1.00 0.00 H new ATOM 0 HA THR A 106 62.799 15.167 -6.501 1.00 0.00 H new ATOM 0 HB THR A 106 60.489 13.185 -6.725 1.00 0.00 H new ATOM 0 HG1 THR A 106 59.691 14.739 -8.264 1.00 0.00 H new ATOM 0 HG21 THR A 106 59.147 15.113 -5.939 1.00 0.00 H new ATOM 0 HG22 THR A 106 60.406 14.685 -4.756 1.00 0.00 H new ATOM 0 HG23 THR A 106 60.627 16.094 -5.820 1.00 0.00 H new ATOM 160 N ARG A 107 62.419 12.179 -5.116 1.00 0.00 N ATOM 161 CA ARG A 107 62.619 11.445 -3.872 1.00 0.00 C ATOM 162 C ARG A 107 64.055 11.592 -3.375 1.00 0.00 C ATOM 163 O ARG A 107 64.283 11.859 -2.194 1.00 0.00 O ATOM 164 CB ARG A 107 62.289 9.966 -4.080 1.00 0.00 C ATOM 165 CG ARG A 107 60.838 9.824 -4.547 1.00 0.00 C ATOM 166 CD ARG A 107 59.887 10.152 -3.393 1.00 0.00 C ATOM 167 NE ARG A 107 58.506 9.831 -3.768 1.00 0.00 N ATOM 168 CZ ARG A 107 57.436 10.229 -3.062 1.00 0.00 C ATOM 169 NH1 ARG A 107 57.547 10.943 -1.968 1.00 0.00 N ATOM 170 NH2 ARG A 107 56.246 9.893 -3.478 1.00 0.00 N ATOM 0 H ARG A 107 62.080 11.615 -5.895 1.00 0.00 H new ATOM 0 HA ARG A 107 61.951 11.862 -3.118 1.00 0.00 H new ATOM 0 HB2 ARG A 107 62.963 9.533 -4.819 1.00 0.00 H new ATOM 0 HB3 ARG A 107 62.438 9.416 -3.151 1.00 0.00 H new ATOM 0 HG2 ARG A 107 60.650 10.493 -5.387 1.00 0.00 H new ATOM 0 HG3 ARG A 107 60.658 8.809 -4.901 1.00 0.00 H new ATOM 0 HD2 ARG A 107 60.171 9.586 -2.506 1.00 0.00 H new ATOM 0 HD3 ARG A 107 59.966 11.208 -3.136 1.00 0.00 H new ATOM 0 HE ARG A 107 58.350 9.276 -4.610 1.00 0.00 H new ATOM 0 HH11 ARG A 107 58.469 11.214 -1.627 1.00 0.00 H new ATOM 0 HH12 ARG A 107 56.711 11.227 -1.458 1.00 0.00 H new ATOM 0 HH21 ARG A 107 56.141 9.337 -4.327 1.00 0.00 H new ATOM 0 HH22 ARG A 107 55.421 10.186 -2.955 1.00 0.00 H new ATOM 184 N GLU A 108 65.023 11.438 -4.276 1.00 0.00 N ATOM 185 CA GLU A 108 66.426 11.535 -3.888 1.00 0.00 C ATOM 186 C GLU A 108 66.723 12.907 -3.291 1.00 0.00 C ATOM 187 O GLU A 108 67.456 13.013 -2.311 1.00 0.00 O ATOM 188 CB GLU A 108 67.333 11.281 -5.097 1.00 0.00 C ATOM 189 CG GLU A 108 68.802 11.279 -4.650 1.00 0.00 C ATOM 190 CD GLU A 108 69.748 10.921 -5.800 1.00 0.00 C ATOM 191 OE1 GLU A 108 69.308 10.861 -6.940 1.00 0.00 O ATOM 192 OE2 GLU A 108 70.917 10.709 -5.520 1.00 0.00 O ATOM 0 H GLU A 108 64.864 11.248 -5.266 1.00 0.00 H new ATOM 0 HA GLU A 108 66.626 10.775 -3.132 1.00 0.00 H new ATOM 0 HB2 GLU A 108 67.082 10.326 -5.558 1.00 0.00 H new ATOM 0 HB3 GLU A 108 67.173 12.051 -5.852 1.00 0.00 H new ATOM 0 HG2 GLU A 108 69.063 12.262 -4.257 1.00 0.00 H new ATOM 0 HG3 GLU A 108 68.933 10.565 -3.836 1.00 0.00 H new ATOM 199 N GLN A 109 66.148 13.952 -3.875 1.00 0.00 N ATOM 200 CA GLN A 109 66.395 15.308 -3.402 1.00 0.00 C ATOM 201 C GLN A 109 65.998 15.440 -1.939 1.00 0.00 C ATOM 202 O GLN A 109 66.749 15.979 -1.127 1.00 0.00 O ATOM 203 CB GLN A 109 65.604 16.310 -4.245 1.00 0.00 C ATOM 204 CG GLN A 109 65.987 17.735 -3.840 1.00 0.00 C ATOM 205 CD GLN A 109 65.054 18.736 -4.514 1.00 0.00 C ATOM 206 OE1 GLN A 109 63.835 18.645 -4.367 1.00 0.00 O ATOM 207 NE2 GLN A 109 65.556 19.691 -5.248 1.00 0.00 N ATOM 0 H GLN A 109 65.513 13.887 -4.670 1.00 0.00 H new ATOM 0 HA GLN A 109 67.460 15.520 -3.498 1.00 0.00 H new ATOM 0 HB2 GLN A 109 65.811 16.154 -5.304 1.00 0.00 H new ATOM 0 HB3 GLN A 109 64.534 16.156 -4.103 1.00 0.00 H new ATOM 0 HG2 GLN A 109 65.928 17.843 -2.757 1.00 0.00 H new ATOM 0 HG3 GLN A 109 67.019 17.938 -4.125 1.00 0.00 H new ATOM 0 HE21 GLN A 109 66.566 19.764 -5.368 1.00 0.00 H new ATOM 0 HE22 GLN A 109 64.938 20.364 -5.701 1.00 0.00 H new ATOM 216 N GLU A 110 64.826 14.916 -1.601 1.00 0.00 N ATOM 217 CA GLU A 110 64.338 14.999 -0.229 1.00 0.00 C ATOM 218 C GLU A 110 65.304 14.303 0.723 1.00 0.00 C ATOM 219 O GLU A 110 65.670 14.848 1.764 1.00 0.00 O ATOM 220 CB GLU A 110 62.954 14.354 -0.122 1.00 0.00 C ATOM 221 CG GLU A 110 61.963 15.121 -1.000 1.00 0.00 C ATOM 222 CD GLU A 110 60.557 14.562 -0.807 1.00 0.00 C ATOM 223 OE1 GLU A 110 60.286 13.497 -1.336 1.00 0.00 O ATOM 224 OE2 GLU A 110 59.772 15.209 -0.132 1.00 0.00 O ATOM 0 H GLU A 110 64.202 14.435 -2.249 1.00 0.00 H new ATOM 0 HA GLU A 110 64.266 16.051 0.048 1.00 0.00 H new ATOM 0 HB2 GLU A 110 63.002 13.311 -0.435 1.00 0.00 H new ATOM 0 HB3 GLU A 110 62.618 14.360 0.915 1.00 0.00 H new ATOM 0 HG2 GLU A 110 61.981 16.180 -0.744 1.00 0.00 H new ATOM 0 HG3 GLU A 110 62.255 15.042 -2.047 1.00 0.00 H new ATOM 231 N ALA A 111 65.739 13.106 0.347 1.00 0.00 N ATOM 232 CA ALA A 111 66.650 12.338 1.187 1.00 0.00 C ATOM 233 C ALA A 111 67.943 13.110 1.424 1.00 0.00 C ATOM 234 O ALA A 111 68.409 13.232 2.556 1.00 0.00 O ATOM 235 CB ALA A 111 66.968 10.997 0.522 1.00 0.00 C ATOM 0 H ALA A 111 65.478 12.649 -0.527 1.00 0.00 H new ATOM 0 HA ALA A 111 66.166 12.162 2.148 1.00 0.00 H new ATOM 0 HB1 ALA A 111 67.649 10.429 1.156 1.00 0.00 H new ATOM 0 HB2 ALA A 111 66.046 10.432 0.383 1.00 0.00 H new ATOM 0 HB3 ALA A 111 67.436 11.173 -0.447 1.00 0.00 H new ATOM 241 N ASN A 112 68.512 13.643 0.348 1.00 0.00 N ATOM 242 CA ASN A 112 69.776 14.365 0.443 1.00 0.00 C ATOM 243 C ASN A 112 69.653 15.557 1.385 1.00 0.00 C ATOM 244 O ASN A 112 70.562 15.836 2.167 1.00 0.00 O ATOM 245 CB ASN A 112 70.207 14.849 -0.943 1.00 0.00 C ATOM 246 CG ASN A 112 70.637 13.663 -1.799 1.00 0.00 C ATOM 247 OD1 ASN A 112 69.912 12.673 -1.899 1.00 0.00 O ATOM 248 ND2 ASN A 112 71.782 13.703 -2.426 1.00 0.00 N ATOM 0 H ASN A 112 68.122 13.590 -0.593 1.00 0.00 H new ATOM 0 HA ASN A 112 70.528 13.684 0.842 1.00 0.00 H new ATOM 0 HB2 ASN A 112 69.384 15.377 -1.425 1.00 0.00 H new ATOM 0 HB3 ASN A 112 71.029 15.558 -0.850 1.00 0.00 H new ATOM 0 HD21 ASN A 112 72.077 12.913 -3.000 1.00 0.00 H new ATOM 0 HD22 ASN A 112 72.381 14.524 -2.342 1.00 0.00 H new ATOM 255 N LYS A 113 68.527 16.260 1.309 1.00 0.00 N ATOM 256 CA LYS A 113 68.306 17.419 2.165 1.00 0.00 C ATOM 257 C LYS A 113 68.370 17.004 3.630 1.00 0.00 C ATOM 258 O LYS A 113 69.025 17.652 4.445 1.00 0.00 O ATOM 259 CB LYS A 113 66.938 18.038 1.866 1.00 0.00 C ATOM 260 CG LYS A 113 66.772 19.330 2.669 1.00 0.00 C ATOM 261 CD LYS A 113 65.439 19.989 2.307 1.00 0.00 C ATOM 262 CE LYS A 113 64.286 19.127 2.825 1.00 0.00 C ATOM 263 NZ LYS A 113 63.003 19.870 2.671 1.00 0.00 N ATOM 0 H LYS A 113 67.761 16.050 0.670 1.00 0.00 H new ATOM 0 HA LYS A 113 69.084 18.156 1.966 1.00 0.00 H new ATOM 0 HB2 LYS A 113 66.847 18.246 0.800 1.00 0.00 H new ATOM 0 HB3 LYS A 113 66.146 17.335 2.122 1.00 0.00 H new ATOM 0 HG2 LYS A 113 66.805 19.114 3.737 1.00 0.00 H new ATOM 0 HG3 LYS A 113 67.596 20.011 2.456 1.00 0.00 H new ATOM 0 HD2 LYS A 113 65.385 20.987 2.742 1.00 0.00 H new ATOM 0 HD3 LYS A 113 65.361 20.107 1.226 1.00 0.00 H new ATOM 0 HE2 LYS A 113 64.243 18.188 2.273 1.00 0.00 H new ATOM 0 HE3 LYS A 113 64.449 18.874 3.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 62.219 19.285 3.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 63.047 20.755 3.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 62.847 20.090 1.666 1.00 0.00 H new ATOM 277 N ASP A 114 67.680 15.914 3.949 1.00 0.00 N ATOM 278 CA ASP A 114 67.697 15.365 5.302 1.00 0.00 C ATOM 279 C ASP A 114 68.107 13.897 5.272 1.00 0.00 C ATOM 280 O ASP A 114 67.349 13.038 4.825 1.00 0.00 O ATOM 281 CB ASP A 114 66.310 15.496 5.934 1.00 0.00 C ATOM 282 CG ASP A 114 66.376 15.139 7.415 1.00 0.00 C ATOM 283 OD1 ASP A 114 66.670 16.021 8.205 1.00 0.00 O ATOM 284 OD2 ASP A 114 66.132 13.988 7.738 1.00 0.00 O ATOM 0 H ASP A 114 67.102 15.393 3.290 1.00 0.00 H new ATOM 0 HA ASP A 114 68.420 15.924 5.896 1.00 0.00 H new ATOM 0 HB2 ASP A 114 65.941 16.514 5.813 1.00 0.00 H new ATOM 0 HB3 ASP A 114 65.605 14.839 5.424 1.00 0.00 H new ATOM 289 N LEU A 115 69.320 13.613 5.737 1.00 0.00 N ATOM 290 CA LEU A 115 69.803 12.233 5.783 1.00 0.00 C ATOM 291 C LEU A 115 69.541 11.553 7.134 1.00 0.00 C ATOM 292 O LEU A 115 69.704 10.339 7.246 1.00 0.00 O ATOM 293 CB LEU A 115 71.305 12.188 5.484 1.00 0.00 C ATOM 294 CG LEU A 115 71.570 12.609 4.036 1.00 0.00 C ATOM 295 CD1 LEU A 115 73.078 12.764 3.821 1.00 0.00 C ATOM 296 CD2 LEU A 115 71.038 11.541 3.077 1.00 0.00 C ATOM 0 H LEU A 115 69.981 14.309 6.084 1.00 0.00 H new ATOM 0 HA LEU A 115 69.246 11.685 5.023 1.00 0.00 H new ATOM 0 HB2 LEU A 115 71.839 12.850 6.166 1.00 0.00 H new ATOM 0 HB3 LEU A 115 71.687 11.181 5.653 1.00 0.00 H new ATOM 0 HG LEU A 115 71.066 13.556 3.842 1.00 0.00 H new ATOM 0 HD11 LEU A 115 73.270 13.064 2.791 1.00 0.00 H new ATOM 0 HD12 LEU A 115 73.466 13.525 4.498 1.00 0.00 H new ATOM 0 HD13 LEU A 115 73.574 11.814 4.021 1.00 0.00 H new ATOM 0 HD21 LEU A 115 71.230 11.847 2.049 1.00 0.00 H new ATOM 0 HD22 LEU A 115 71.540 10.593 3.273 1.00 0.00 H new ATOM 0 HD23 LEU A 115 69.965 11.421 3.225 1.00 0.00 H new ATOM 308 N THR A 116 69.151 12.315 8.158 1.00 0.00 N ATOM 309 CA THR A 116 68.920 11.743 9.484 1.00 0.00 C ATOM 310 C THR A 116 67.460 11.326 9.709 1.00 0.00 C ATOM 311 O THR A 116 67.058 11.092 10.849 1.00 0.00 O ATOM 312 CB THR A 116 69.321 12.759 10.555 1.00 0.00 C ATOM 313 OG1 THR A 116 68.526 13.929 10.414 1.00 0.00 O ATOM 314 CG2 THR A 116 70.798 13.120 10.393 1.00 0.00 C ATOM 0 H THR A 116 68.990 13.320 8.095 1.00 0.00 H new ATOM 0 HA THR A 116 69.530 10.843 9.553 1.00 0.00 H new ATOM 0 HB THR A 116 69.163 12.328 11.544 1.00 0.00 H new ATOM 0 HG1 THR A 116 68.779 14.581 11.100 1.00 0.00 H new ATOM 0 HG21 THR A 116 71.082 13.844 11.157 1.00 0.00 H new ATOM 0 HG22 THR A 116 71.406 12.222 10.501 1.00 0.00 H new ATOM 0 HG23 THR A 116 70.961 13.552 9.406 1.00 0.00 H new ATOM 322 N SER A 117 66.663 11.231 8.643 1.00 0.00 N ATOM 323 CA SER A 117 65.270 10.814 8.771 1.00 0.00 C ATOM 324 C SER A 117 65.084 9.402 8.206 1.00 0.00 C ATOM 325 O SER A 117 64.861 9.258 7.002 1.00 0.00 O ATOM 326 CB SER A 117 64.377 11.783 7.994 1.00 0.00 C ATOM 327 OG SER A 117 63.070 11.236 7.892 1.00 0.00 O ATOM 0 H SER A 117 66.958 11.436 7.688 1.00 0.00 H new ATOM 0 HA SER A 117 64.997 10.817 9.826 1.00 0.00 H new ATOM 0 HB2 SER A 117 64.342 12.748 8.499 1.00 0.00 H new ATOM 0 HB3 SER A 117 64.789 11.958 7.000 1.00 0.00 H new ATOM 0 HG SER A 117 62.494 11.855 7.396 1.00 0.00 H new ATOM 333 N PRO A 118 65.138 8.363 9.017 1.00 0.00 N ATOM 334 CA PRO A 118 65.068 6.963 8.496 1.00 0.00 C ATOM 335 C PRO A 118 63.918 6.745 7.519 1.00 0.00 C ATOM 336 O PRO A 118 64.053 5.983 6.564 1.00 0.00 O ATOM 337 CB PRO A 118 64.884 6.100 9.746 1.00 0.00 C ATOM 338 CG PRO A 118 65.481 6.893 10.857 1.00 0.00 C ATOM 339 CD PRO A 118 65.294 8.364 10.487 1.00 0.00 C ATOM 0 HA PRO A 118 65.965 6.715 7.928 1.00 0.00 H new ATOM 0 HB2 PRO A 118 63.830 5.894 9.931 1.00 0.00 H new ATOM 0 HB3 PRO A 118 65.383 5.137 9.637 1.00 0.00 H new ATOM 0 HG2 PRO A 118 64.991 6.665 11.804 1.00 0.00 H new ATOM 0 HG3 PRO A 118 66.538 6.655 10.980 1.00 0.00 H new ATOM 0 HD2 PRO A 118 64.418 8.788 10.978 1.00 0.00 H new ATOM 0 HD3 PRO A 118 66.152 8.962 10.794 1.00 0.00 H new ATOM 347 N ASP A 119 62.796 7.423 7.743 1.00 0.00 N ATOM 348 CA ASP A 119 61.645 7.275 6.857 1.00 0.00 C ATOM 349 C ASP A 119 62.019 7.642 5.424 1.00 0.00 C ATOM 350 O ASP A 119 61.854 6.839 4.504 1.00 0.00 O ATOM 351 CB ASP A 119 60.496 8.167 7.335 1.00 0.00 C ATOM 352 CG ASP A 119 60.021 7.720 8.714 1.00 0.00 C ATOM 353 OD1 ASP A 119 60.040 6.526 8.968 1.00 0.00 O ATOM 354 OD2 ASP A 119 59.645 8.577 9.495 1.00 0.00 O ATOM 0 H ASP A 119 62.659 8.071 8.519 1.00 0.00 H new ATOM 0 HA ASP A 119 61.326 6.233 6.880 1.00 0.00 H new ATOM 0 HB2 ASP A 119 60.824 9.206 7.374 1.00 0.00 H new ATOM 0 HB3 ASP A 119 59.670 8.120 6.625 1.00 0.00 H new ATOM 359 N ALA A 120 62.547 8.848 5.241 1.00 0.00 N ATOM 360 CA ALA A 120 62.923 9.305 3.908 1.00 0.00 C ATOM 361 C ALA A 120 63.931 8.352 3.278 1.00 0.00 C ATOM 362 O ALA A 120 63.819 8.015 2.098 1.00 0.00 O ATOM 363 CB ALA A 120 63.518 10.713 3.975 1.00 0.00 C ATOM 0 H ALA A 120 62.723 9.519 5.989 1.00 0.00 H new ATOM 0 HA ALA A 120 62.025 9.326 3.291 1.00 0.00 H new ATOM 0 HB1 ALA A 120 63.794 11.040 2.972 1.00 0.00 H new ATOM 0 HB2 ALA A 120 62.781 11.400 4.391 1.00 0.00 H new ATOM 0 HB3 ALA A 120 64.404 10.704 4.610 1.00 0.00 H new ATOM 369 N GLN A 121 64.897 7.891 4.071 1.00 0.00 N ATOM 370 CA GLN A 121 65.920 6.988 3.544 1.00 0.00 C ATOM 371 C GLN A 121 65.260 5.725 3.004 1.00 0.00 C ATOM 372 O GLN A 121 65.526 5.311 1.880 1.00 0.00 O ATOM 373 CB GLN A 121 66.966 6.589 4.601 1.00 0.00 C ATOM 374 CG GLN A 121 67.379 7.757 5.515 1.00 0.00 C ATOM 375 CD GLN A 121 67.705 9.027 4.727 1.00 0.00 C ATOM 376 OE1 GLN A 121 68.628 9.040 3.912 1.00 0.00 O ATOM 377 NE2 GLN A 121 66.982 10.096 4.924 1.00 0.00 N ATOM 0 H GLN A 121 64.993 8.121 5.060 1.00 0.00 H new ATOM 0 HA GLN A 121 66.439 7.527 2.751 1.00 0.00 H new ATOM 0 HB2 GLN A 121 66.565 5.781 5.213 1.00 0.00 H new ATOM 0 HB3 GLN A 121 67.851 6.199 4.098 1.00 0.00 H new ATOM 0 HG2 GLN A 121 66.574 7.966 6.219 1.00 0.00 H new ATOM 0 HG3 GLN A 121 68.249 7.464 6.103 1.00 0.00 H new ATOM 0 HE21 GLN A 121 66.219 10.078 5.601 1.00 0.00 H new ATOM 0 HE22 GLN A 121 67.180 10.949 4.401 1.00 0.00 H new ATOM 386 N ALA A 122 64.338 5.159 3.781 1.00 0.00 N ATOM 387 CA ALA A 122 63.696 3.899 3.415 1.00 0.00 C ATOM 388 C ALA A 122 63.075 3.999 2.027 1.00 0.00 C ATOM 389 O ALA A 122 63.262 3.122 1.185 1.00 0.00 O ATOM 390 CB ALA A 122 62.615 3.546 4.439 1.00 0.00 C ATOM 0 H ALA A 122 64.020 5.553 4.666 1.00 0.00 H new ATOM 0 HA ALA A 122 64.454 3.115 3.405 1.00 0.00 H new ATOM 0 HB1 ALA A 122 62.141 2.605 4.158 1.00 0.00 H new ATOM 0 HB2 ALA A 122 63.067 3.444 5.425 1.00 0.00 H new ATOM 0 HB3 ALA A 122 61.865 4.337 4.464 1.00 0.00 H new ATOM 396 N ALA A 123 62.374 5.100 1.784 1.00 0.00 N ATOM 397 CA ALA A 123 61.741 5.306 0.486 1.00 0.00 C ATOM 398 C ALA A 123 62.794 5.312 -0.619 1.00 0.00 C ATOM 399 O ALA A 123 62.631 4.663 -1.652 1.00 0.00 O ATOM 400 CB ALA A 123 60.974 6.629 0.477 1.00 0.00 C ATOM 0 H ALA A 123 62.230 5.853 2.456 1.00 0.00 H new ATOM 0 HA ALA A 123 61.042 4.489 0.306 1.00 0.00 H new ATOM 0 HB1 ALA A 123 60.506 6.772 -0.497 1.00 0.00 H new ATOM 0 HB2 ALA A 123 60.205 6.609 1.250 1.00 0.00 H new ATOM 0 HB3 ALA A 123 61.663 7.451 0.672 1.00 0.00 H new ATOM 406 N PHE A 124 63.887 6.029 -0.387 1.00 0.00 N ATOM 407 CA PHE A 124 64.952 6.125 -1.381 1.00 0.00 C ATOM 408 C PHE A 124 65.506 4.743 -1.717 1.00 0.00 C ATOM 409 O PHE A 124 65.703 4.406 -2.883 1.00 0.00 O ATOM 410 CB PHE A 124 66.080 7.014 -0.854 1.00 0.00 C ATOM 411 CG PHE A 124 67.159 7.286 -1.875 1.00 0.00 C ATOM 412 CD1 PHE A 124 66.812 7.633 -3.187 1.00 0.00 C ATOM 413 CD2 PHE A 124 68.507 7.191 -1.509 1.00 0.00 C ATOM 414 CE1 PHE A 124 67.813 7.885 -4.133 1.00 0.00 C ATOM 415 CE2 PHE A 124 69.508 7.444 -2.456 1.00 0.00 C ATOM 416 CZ PHE A 124 69.161 7.791 -3.767 1.00 0.00 C ATOM 0 H PHE A 124 64.060 6.549 0.473 1.00 0.00 H new ATOM 0 HA PHE A 124 64.535 6.564 -2.287 1.00 0.00 H new ATOM 0 HB2 PHE A 124 65.659 7.962 -0.521 1.00 0.00 H new ATOM 0 HB3 PHE A 124 66.528 6.540 0.019 1.00 0.00 H new ATOM 0 HD1 PHE A 124 65.772 7.706 -3.469 1.00 0.00 H new ATOM 0 HD2 PHE A 124 68.775 6.923 -0.498 1.00 0.00 H new ATOM 0 HE1 PHE A 124 67.545 8.152 -5.145 1.00 0.00 H new ATOM 0 HE2 PHE A 124 70.548 7.371 -2.174 1.00 0.00 H new ATOM 0 HZ PHE A 124 69.933 7.986 -4.496 1.00 0.00 H new ATOM 426 N TYR A 125 65.733 3.933 -0.689 1.00 0.00 N ATOM 427 CA TYR A 125 66.288 2.596 -0.883 1.00 0.00 C ATOM 428 C TYR A 125 65.394 1.789 -1.820 1.00 0.00 C ATOM 429 O TYR A 125 65.862 1.161 -2.769 1.00 0.00 O ATOM 430 CB TYR A 125 66.395 1.865 0.460 1.00 0.00 C ATOM 431 CG TYR A 125 67.513 2.345 1.362 1.00 0.00 C ATOM 432 CD1 TYR A 125 68.839 1.985 1.097 1.00 0.00 C ATOM 433 CD2 TYR A 125 67.219 3.140 2.475 1.00 0.00 C ATOM 434 CE1 TYR A 125 69.867 2.423 1.947 1.00 0.00 C ATOM 435 CE2 TYR A 125 68.242 3.580 3.322 1.00 0.00 C ATOM 436 CZ TYR A 125 69.568 3.222 3.061 1.00 0.00 C ATOM 437 OH TYR A 125 70.576 3.657 3.902 1.00 0.00 O ATOM 0 H TYR A 125 65.543 4.176 0.283 1.00 0.00 H new ATOM 0 HA TYR A 125 67.281 2.696 -1.321 1.00 0.00 H new ATOM 0 HB2 TYR A 125 65.449 1.971 0.991 1.00 0.00 H new ATOM 0 HB3 TYR A 125 66.535 0.801 0.268 1.00 0.00 H new ATOM 0 HD1 TYR A 125 69.071 1.371 0.240 1.00 0.00 H new ATOM 0 HD2 TYR A 125 66.196 3.416 2.682 1.00 0.00 H new ATOM 0 HE1 TYR A 125 70.890 2.144 1.743 1.00 0.00 H new ATOM 0 HE2 TYR A 125 68.007 4.196 4.177 1.00 0.00 H new ATOM 0 HH TYR A 125 70.191 4.200 4.621 1.00 0.00 H new ATOM 447 N LYS A 126 64.094 1.835 -1.558 1.00 0.00 N ATOM 448 CA LYS A 126 63.134 1.083 -2.357 1.00 0.00 C ATOM 449 C LYS A 126 63.226 1.487 -3.821 1.00 0.00 C ATOM 450 O LYS A 126 63.280 0.639 -4.710 1.00 0.00 O ATOM 451 CB LYS A 126 61.718 1.350 -1.843 1.00 0.00 C ATOM 452 CG LYS A 126 61.556 0.795 -0.421 1.00 0.00 C ATOM 453 CD LYS A 126 60.103 0.375 -0.182 1.00 0.00 C ATOM 454 CE LYS A 126 59.792 -0.888 -0.987 1.00 0.00 C ATOM 455 NZ LYS A 126 58.602 -1.569 -0.404 1.00 0.00 N ATOM 0 H LYS A 126 63.681 2.382 -0.802 1.00 0.00 H new ATOM 0 HA LYS A 126 63.364 0.021 -2.270 1.00 0.00 H new ATOM 0 HB2 LYS A 126 61.518 2.421 -1.848 1.00 0.00 H new ATOM 0 HB3 LYS A 126 60.989 0.886 -2.507 1.00 0.00 H new ATOM 0 HG2 LYS A 126 62.218 -0.059 -0.278 1.00 0.00 H new ATOM 0 HG3 LYS A 126 61.849 1.550 0.308 1.00 0.00 H new ATOM 0 HD2 LYS A 126 59.937 0.191 0.880 1.00 0.00 H new ATOM 0 HD3 LYS A 126 59.429 1.180 -0.475 1.00 0.00 H new ATOM 0 HE2 LYS A 126 59.602 -0.630 -2.029 1.00 0.00 H new ATOM 0 HE3 LYS A 126 60.650 -1.560 -0.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 58.391 -2.428 -0.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 58.799 -1.828 0.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 57.784 -0.927 -0.437 1.00 0.00 H new ATOM 469 N LEU A 127 63.261 2.790 -4.063 1.00 0.00 N ATOM 470 CA LEU A 127 63.301 3.300 -5.427 1.00 0.00 C ATOM 471 C LEU A 127 64.518 2.757 -6.166 1.00 0.00 C ATOM 472 O LEU A 127 64.417 2.322 -7.312 1.00 0.00 O ATOM 473 CB LEU A 127 63.350 4.827 -5.413 1.00 0.00 C ATOM 474 CG LEU A 127 62.093 5.371 -4.731 1.00 0.00 C ATOM 475 CD1 LEU A 127 62.309 6.839 -4.363 1.00 0.00 C ATOM 476 CD2 LEU A 127 60.904 5.255 -5.687 1.00 0.00 C ATOM 0 H LEU A 127 63.263 3.509 -3.339 1.00 0.00 H new ATOM 0 HA LEU A 127 62.399 2.971 -5.944 1.00 0.00 H new ATOM 0 HB2 LEU A 127 64.240 5.168 -4.884 1.00 0.00 H new ATOM 0 HB3 LEU A 127 63.418 5.209 -6.432 1.00 0.00 H new ATOM 0 HG LEU A 127 61.891 4.795 -3.828 1.00 0.00 H new ATOM 0 HD11 LEU A 127 61.414 7.228 -3.877 1.00 0.00 H new ATOM 0 HD12 LEU A 127 63.157 6.923 -3.683 1.00 0.00 H new ATOM 0 HD13 LEU A 127 62.510 7.415 -5.266 1.00 0.00 H new ATOM 0 HD21 LEU A 127 60.008 5.642 -5.202 1.00 0.00 H new ATOM 0 HD22 LEU A 127 61.106 5.831 -6.590 1.00 0.00 H new ATOM 0 HD23 LEU A 127 60.750 4.209 -5.951 1.00 0.00 H new ATOM 488 N LEU A 128 65.663 2.757 -5.493 1.00 0.00 N ATOM 489 CA LEU A 128 66.902 2.323 -6.128 1.00 0.00 C ATOM 490 C LEU A 128 66.808 0.867 -6.570 1.00 0.00 C ATOM 491 O LEU A 128 67.279 0.518 -7.652 1.00 0.00 O ATOM 492 CB LEU A 128 68.082 2.498 -5.169 1.00 0.00 C ATOM 493 CG LEU A 128 68.590 3.941 -5.228 1.00 0.00 C ATOM 494 CD1 LEU A 128 69.511 4.209 -4.036 1.00 0.00 C ATOM 495 CD2 LEU A 128 69.366 4.154 -6.530 1.00 0.00 C ATOM 0 H LEU A 128 65.760 3.049 -4.520 1.00 0.00 H new ATOM 0 HA LEU A 128 67.062 2.943 -7.010 1.00 0.00 H new ATOM 0 HB2 LEU A 128 67.775 2.252 -4.152 1.00 0.00 H new ATOM 0 HB3 LEU A 128 68.884 1.809 -5.435 1.00 0.00 H new ATOM 0 HG LEU A 128 67.743 4.626 -5.192 1.00 0.00 H new ATOM 0 HD11 LEU A 128 69.872 5.237 -4.079 1.00 0.00 H new ATOM 0 HD12 LEU A 128 68.959 4.057 -3.108 1.00 0.00 H new ATOM 0 HD13 LEU A 128 70.359 3.525 -4.070 1.00 0.00 H new ATOM 0 HD21 LEU A 128 69.728 5.181 -6.574 1.00 0.00 H new ATOM 0 HD22 LEU A 128 70.213 3.469 -6.565 1.00 0.00 H new ATOM 0 HD23 LEU A 128 68.710 3.964 -7.380 1.00 0.00 H new ATOM 507 N LEU A 129 66.211 0.020 -5.736 1.00 0.00 N ATOM 508 CA LEU A 129 66.077 -1.391 -6.088 1.00 0.00 C ATOM 509 C LEU A 129 65.173 -1.560 -7.304 1.00 0.00 C ATOM 510 O LEU A 129 65.526 -2.252 -8.259 1.00 0.00 O ATOM 511 CB LEU A 129 65.505 -2.185 -4.910 1.00 0.00 C ATOM 512 CG LEU A 129 66.630 -2.551 -3.940 1.00 0.00 C ATOM 513 CD1 LEU A 129 66.029 -3.042 -2.621 1.00 0.00 C ATOM 514 CD2 LEU A 129 67.489 -3.660 -4.553 1.00 0.00 C ATOM 0 H LEU A 129 65.820 0.278 -4.830 1.00 0.00 H new ATOM 0 HA LEU A 129 67.069 -1.773 -6.329 1.00 0.00 H new ATOM 0 HB2 LEU A 129 64.746 -1.595 -4.396 1.00 0.00 H new ATOM 0 HB3 LEU A 129 65.015 -3.089 -5.272 1.00 0.00 H new ATOM 0 HG LEU A 129 67.248 -1.673 -3.752 1.00 0.00 H new ATOM 0 HD11 LEU A 129 66.831 -3.303 -1.930 1.00 0.00 H new ATOM 0 HD12 LEU A 129 65.416 -2.253 -2.184 1.00 0.00 H new ATOM 0 HD13 LEU A 129 65.411 -3.920 -2.807 1.00 0.00 H new ATOM 0 HD21 LEU A 129 68.291 -3.922 -3.863 1.00 0.00 H new ATOM 0 HD22 LEU A 129 66.870 -4.538 -4.741 1.00 0.00 H new ATOM 0 HD23 LEU A 129 67.918 -3.311 -5.492 1.00 0.00 H new ATOM 526 N GLN A 130 64.037 -0.872 -7.299 1.00 0.00 N ATOM 527 CA GLN A 130 63.077 -0.998 -8.390 1.00 0.00 C ATOM 528 C GLN A 130 63.705 -0.603 -9.724 1.00 0.00 C ATOM 529 O GLN A 130 63.458 -1.240 -10.748 1.00 0.00 O ATOM 530 CB GLN A 130 61.859 -0.112 -8.118 1.00 0.00 C ATOM 531 CG GLN A 130 61.122 -0.624 -6.879 1.00 0.00 C ATOM 532 CD GLN A 130 59.828 0.159 -6.683 1.00 0.00 C ATOM 533 OE1 GLN A 130 58.832 -0.108 -7.356 1.00 0.00 O ATOM 534 NE2 GLN A 130 59.782 1.114 -5.795 1.00 0.00 N ATOM 0 H GLN A 130 63.759 -0.227 -6.559 1.00 0.00 H new ATOM 0 HA GLN A 130 62.768 -2.042 -8.448 1.00 0.00 H new ATOM 0 HB2 GLN A 130 62.174 0.920 -7.966 1.00 0.00 H new ATOM 0 HB3 GLN A 130 61.192 -0.118 -8.980 1.00 0.00 H new ATOM 0 HG2 GLN A 130 60.901 -1.686 -6.989 1.00 0.00 H new ATOM 0 HG3 GLN A 130 61.757 -0.520 -5.999 1.00 0.00 H new ATOM 0 HE21 GLN A 130 60.608 1.333 -5.239 1.00 0.00 H new ATOM 0 HE22 GLN A 130 58.920 1.641 -5.657 1.00 0.00 H new ATOM 543 N SER A 131 64.520 0.447 -9.706 1.00 0.00 N ATOM 544 CA SER A 131 65.121 0.955 -10.937 1.00 0.00 C ATOM 545 C SER A 131 66.414 0.225 -11.322 1.00 0.00 C ATOM 546 O SER A 131 67.179 0.728 -12.147 1.00 0.00 O ATOM 547 CB SER A 131 65.411 2.447 -10.783 1.00 0.00 C ATOM 548 OG SER A 131 64.182 3.154 -10.693 1.00 0.00 O ATOM 0 H SER A 131 64.778 0.959 -8.863 1.00 0.00 H new ATOM 0 HA SER A 131 64.403 0.778 -11.737 1.00 0.00 H new ATOM 0 HB2 SER A 131 66.012 2.623 -9.891 1.00 0.00 H new ATOM 0 HB3 SER A 131 65.990 2.807 -11.633 1.00 0.00 H new ATOM 0 HG SER A 131 63.990 3.358 -9.754 1.00 0.00 H new ATOM 554 N ASN A 132 66.671 -0.950 -10.742 1.00 0.00 N ATOM 555 CA ASN A 132 67.843 -1.737 -11.110 1.00 0.00 C ATOM 556 C ASN A 132 69.129 -0.972 -10.796 1.00 0.00 C ATOM 557 O ASN A 132 70.021 -0.839 -11.637 1.00 0.00 O ATOM 558 CB ASN A 132 67.779 -2.095 -12.599 1.00 0.00 C ATOM 559 CG ASN A 132 68.729 -3.251 -12.900 1.00 0.00 C ATOM 560 OD1 ASN A 132 69.710 -3.455 -12.184 1.00 0.00 O ATOM 561 ND2 ASN A 132 68.494 -4.024 -13.925 1.00 0.00 N ATOM 0 H ASN A 132 66.086 -1.372 -10.021 1.00 0.00 H new ATOM 0 HA ASN A 132 67.848 -2.656 -10.524 1.00 0.00 H new ATOM 0 HB2 ASN A 132 66.760 -2.370 -12.872 1.00 0.00 H new ATOM 0 HB3 ASN A 132 68.047 -1.227 -13.202 1.00 0.00 H new ATOM 0 HD21 ASN A 132 69.123 -4.799 -14.134 1.00 0.00 H new ATOM 0 HD22 ASN A 132 67.681 -3.853 -14.517 1.00 0.00 H new ATOM 568 N TYR A 133 69.226 -0.472 -9.567 1.00 0.00 N ATOM 569 CA TYR A 133 70.424 0.241 -9.125 1.00 0.00 C ATOM 570 C TYR A 133 71.007 -0.382 -7.843 1.00 0.00 C ATOM 571 O TYR A 133 71.374 0.338 -6.907 1.00 0.00 O ATOM 572 CB TYR A 133 70.064 1.711 -8.872 1.00 0.00 C ATOM 573 CG TYR A 133 69.932 2.544 -10.124 1.00 0.00 C ATOM 574 CD1 TYR A 133 71.053 3.196 -10.649 1.00 0.00 C ATOM 575 CD2 TYR A 133 68.687 2.678 -10.749 1.00 0.00 C ATOM 576 CE1 TYR A 133 70.930 3.979 -11.804 1.00 0.00 C ATOM 577 CE2 TYR A 133 68.563 3.463 -11.902 1.00 0.00 C ATOM 578 CZ TYR A 133 69.686 4.112 -12.430 1.00 0.00 C ATOM 579 OH TYR A 133 69.565 4.886 -13.567 1.00 0.00 O ATOM 0 H TYR A 133 68.493 -0.546 -8.861 1.00 0.00 H new ATOM 0 HA TYR A 133 71.182 0.167 -9.905 1.00 0.00 H new ATOM 0 HB2 TYR A 133 69.124 1.753 -8.321 1.00 0.00 H new ATOM 0 HB3 TYR A 133 70.828 2.155 -8.233 1.00 0.00 H new ATOM 0 HD1 TYR A 133 72.013 3.096 -10.164 1.00 0.00 H new ATOM 0 HD2 TYR A 133 67.822 2.176 -10.342 1.00 0.00 H new ATOM 0 HE1 TYR A 133 71.796 4.480 -12.211 1.00 0.00 H new ATOM 0 HE2 TYR A 133 67.602 3.568 -12.384 1.00 0.00 H new ATOM 0 HH TYR A 133 68.635 4.871 -13.875 1.00 0.00 H new ATOM 589 N PRO A 134 71.200 -1.687 -7.796 1.00 0.00 N ATOM 590 CA PRO A 134 71.669 -2.356 -6.542 1.00 0.00 C ATOM 591 C PRO A 134 72.991 -1.770 -6.050 1.00 0.00 C ATOM 592 O PRO A 134 73.182 -1.557 -4.853 1.00 0.00 O ATOM 593 CB PRO A 134 71.816 -3.834 -6.917 1.00 0.00 C ATOM 594 CG PRO A 134 71.884 -3.865 -8.406 1.00 0.00 C ATOM 595 CD PRO A 134 71.080 -2.663 -8.895 1.00 0.00 C ATOM 0 HA PRO A 134 70.968 -2.211 -5.720 1.00 0.00 H new ATOM 0 HB2 PRO A 134 72.715 -4.263 -6.475 1.00 0.00 H new ATOM 0 HB3 PRO A 134 70.971 -4.417 -6.551 1.00 0.00 H new ATOM 0 HG2 PRO A 134 72.917 -3.808 -8.750 1.00 0.00 H new ATOM 0 HG3 PRO A 134 71.469 -4.795 -8.795 1.00 0.00 H new ATOM 0 HD2 PRO A 134 71.481 -2.266 -9.828 1.00 0.00 H new ATOM 0 HD3 PRO A 134 70.039 -2.928 -9.083 1.00 0.00 H new ATOM 603 N GLN A 135 73.895 -1.488 -6.983 1.00 0.00 N ATOM 604 CA GLN A 135 75.197 -0.931 -6.627 1.00 0.00 C ATOM 605 C GLN A 135 75.040 0.353 -5.812 1.00 0.00 C ATOM 606 O GLN A 135 75.790 0.594 -4.866 1.00 0.00 O ATOM 607 CB GLN A 135 76.002 -0.636 -7.894 1.00 0.00 C ATOM 608 CG GLN A 135 76.308 -1.947 -8.622 1.00 0.00 C ATOM 609 CD GLN A 135 77.037 -1.666 -9.933 1.00 0.00 C ATOM 610 OE1 GLN A 135 76.946 -0.566 -10.478 1.00 0.00 O ATOM 611 NE2 GLN A 135 77.763 -2.606 -10.476 1.00 0.00 N ATOM 0 H GLN A 135 73.753 -1.634 -7.982 1.00 0.00 H new ATOM 0 HA GLN A 135 75.725 -1.666 -6.019 1.00 0.00 H new ATOM 0 HB2 GLN A 135 75.440 0.032 -8.547 1.00 0.00 H new ATOM 0 HB3 GLN A 135 76.930 -0.125 -7.637 1.00 0.00 H new ATOM 0 HG2 GLN A 135 76.920 -2.589 -7.988 1.00 0.00 H new ATOM 0 HG3 GLN A 135 75.381 -2.485 -8.821 1.00 0.00 H new ATOM 0 HE21 GLN A 135 77.838 -3.517 -10.024 1.00 0.00 H new ATOM 0 HE22 GLN A 135 78.255 -2.429 -11.352 1.00 0.00 H new ATOM 620 N TYR A 136 74.040 1.162 -6.156 1.00 0.00 N ATOM 621 CA TYR A 136 73.818 2.424 -5.461 1.00 0.00 C ATOM 622 C TYR A 136 73.344 2.162 -4.036 1.00 0.00 C ATOM 623 O TYR A 136 73.802 2.800 -3.089 1.00 0.00 O ATOM 624 CB TYR A 136 72.770 3.255 -6.203 1.00 0.00 C ATOM 625 CG TYR A 136 73.327 4.009 -7.388 1.00 0.00 C ATOM 626 CD1 TYR A 136 74.193 3.369 -8.282 1.00 0.00 C ATOM 627 CD2 TYR A 136 72.977 5.350 -7.590 1.00 0.00 C ATOM 628 CE1 TYR A 136 74.708 4.069 -9.381 1.00 0.00 C ATOM 629 CE2 TYR A 136 73.493 6.049 -8.687 1.00 0.00 C ATOM 630 CZ TYR A 136 74.358 5.409 -9.583 1.00 0.00 C ATOM 631 OH TYR A 136 74.867 6.100 -10.664 1.00 0.00 O ATOM 0 H TYR A 136 73.377 0.967 -6.906 1.00 0.00 H new ATOM 0 HA TYR A 136 74.758 2.975 -5.431 1.00 0.00 H new ATOM 0 HB2 TYR A 136 71.971 2.597 -6.544 1.00 0.00 H new ATOM 0 HB3 TYR A 136 72.323 3.966 -5.508 1.00 0.00 H new ATOM 0 HD1 TYR A 136 74.464 2.336 -8.125 1.00 0.00 H new ATOM 0 HD2 TYR A 136 72.309 5.844 -6.900 1.00 0.00 H new ATOM 0 HE1 TYR A 136 75.375 3.575 -10.072 1.00 0.00 H new ATOM 0 HE2 TYR A 136 73.224 7.083 -8.843 1.00 0.00 H new ATOM 0 HH TYR A 136 74.523 7.018 -10.657 1.00 0.00 H new ATOM 641 N VAL A 137 72.444 1.193 -3.885 1.00 0.00 N ATOM 642 CA VAL A 137 71.927 0.829 -2.568 1.00 0.00 C ATOM 643 C VAL A 137 73.079 0.486 -1.623 1.00 0.00 C ATOM 644 O VAL A 137 73.085 0.891 -0.463 1.00 0.00 O ATOM 645 CB VAL A 137 70.974 -0.368 -2.696 1.00 0.00 C ATOM 646 CG1 VAL A 137 70.392 -0.746 -1.330 1.00 0.00 C ATOM 647 CG2 VAL A 137 69.824 -0.002 -3.637 1.00 0.00 C ATOM 0 H VAL A 137 72.059 0.647 -4.656 1.00 0.00 H new ATOM 0 HA VAL A 137 71.380 1.677 -2.156 1.00 0.00 H new ATOM 0 HB VAL A 137 71.534 -1.215 -3.091 1.00 0.00 H new ATOM 0 HG11 VAL A 137 69.720 -1.596 -1.444 1.00 0.00 H new ATOM 0 HG12 VAL A 137 71.202 -1.012 -0.651 1.00 0.00 H new ATOM 0 HG13 VAL A 137 69.840 0.101 -0.923 1.00 0.00 H new ATOM 0 HG21 VAL A 137 69.146 -0.850 -3.730 1.00 0.00 H new ATOM 0 HG22 VAL A 137 69.282 0.854 -3.234 1.00 0.00 H new ATOM 0 HG23 VAL A 137 70.224 0.252 -4.619 1.00 0.00 H new ATOM 657 N VAL A 138 74.061 -0.243 -2.137 1.00 0.00 N ATOM 658 CA VAL A 138 75.198 -0.656 -1.323 1.00 0.00 C ATOM 659 C VAL A 138 76.011 0.559 -0.884 1.00 0.00 C ATOM 660 O VAL A 138 76.245 0.763 0.306 1.00 0.00 O ATOM 661 CB VAL A 138 76.080 -1.629 -2.118 1.00 0.00 C ATOM 662 CG1 VAL A 138 77.265 -2.107 -1.269 1.00 0.00 C ATOM 663 CG2 VAL A 138 75.249 -2.844 -2.539 1.00 0.00 C ATOM 0 H VAL A 138 74.094 -0.559 -3.106 1.00 0.00 H new ATOM 0 HA VAL A 138 74.827 -1.160 -0.430 1.00 0.00 H new ATOM 0 HB VAL A 138 76.461 -1.109 -2.997 1.00 0.00 H new ATOM 0 HG11 VAL A 138 77.876 -2.795 -1.852 1.00 0.00 H new ATOM 0 HG12 VAL A 138 77.868 -1.250 -0.971 1.00 0.00 H new ATOM 0 HG13 VAL A 138 76.894 -2.616 -0.380 1.00 0.00 H new ATOM 0 HG21 VAL A 138 75.875 -3.535 -3.104 1.00 0.00 H new ATOM 0 HG22 VAL A 138 74.863 -3.346 -1.652 1.00 0.00 H new ATOM 0 HG23 VAL A 138 74.416 -2.517 -3.162 1.00 0.00 H new ATOM 673 N SER A 139 76.411 1.384 -1.845 1.00 0.00 N ATOM 674 CA SER A 139 77.266 2.532 -1.546 1.00 0.00 C ATOM 675 C SER A 139 76.650 3.413 -0.460 1.00 0.00 C ATOM 676 O SER A 139 77.354 3.938 0.403 1.00 0.00 O ATOM 677 CB SER A 139 77.485 3.360 -2.811 1.00 0.00 C ATOM 678 OG SER A 139 78.000 2.520 -3.836 1.00 0.00 O ATOM 0 H SER A 139 76.161 1.283 -2.829 1.00 0.00 H new ATOM 0 HA SER A 139 78.222 2.155 -1.182 1.00 0.00 H new ATOM 0 HB2 SER A 139 76.546 3.811 -3.132 1.00 0.00 H new ATOM 0 HB3 SER A 139 78.179 4.176 -2.610 1.00 0.00 H new ATOM 0 HG SER A 139 77.263 2.032 -4.260 1.00 0.00 H new ATOM 684 N ARG A 140 75.332 3.567 -0.513 1.00 0.00 N ATOM 685 CA ARG A 140 74.624 4.402 0.452 1.00 0.00 C ATOM 686 C ARG A 140 74.552 3.736 1.822 1.00 0.00 C ATOM 687 O ARG A 140 74.972 4.323 2.817 1.00 0.00 O ATOM 688 CB ARG A 140 73.210 4.687 -0.057 1.00 0.00 C ATOM 689 CG ARG A 140 72.554 5.760 0.815 1.00 0.00 C ATOM 690 CD ARG A 140 71.120 5.994 0.337 1.00 0.00 C ATOM 691 NE ARG A 140 70.514 7.110 1.070 1.00 0.00 N ATOM 692 CZ ARG A 140 70.617 8.391 0.685 1.00 0.00 C ATOM 693 NH1 ARG A 140 71.286 8.749 -0.386 1.00 0.00 N ATOM 694 NH2 ARG A 140 70.033 9.313 1.402 1.00 0.00 N ATOM 0 H ARG A 140 74.733 3.126 -1.211 1.00 0.00 H new ATOM 0 HA ARG A 140 75.176 5.336 0.561 1.00 0.00 H new ATOM 0 HB2 ARG A 140 73.247 5.020 -1.094 1.00 0.00 H new ATOM 0 HB3 ARG A 140 72.615 3.774 -0.036 1.00 0.00 H new ATOM 0 HG2 ARG A 140 72.555 5.447 1.859 1.00 0.00 H new ATOM 0 HG3 ARG A 140 73.124 6.688 0.760 1.00 0.00 H new ATOM 0 HD2 ARG A 140 71.116 6.208 -0.732 1.00 0.00 H new ATOM 0 HD3 ARG A 140 70.529 5.090 0.484 1.00 0.00 H new ATOM 0 HE ARG A 140 69.986 6.901 1.918 1.00 0.00 H new ATOM 0 HH11 ARG A 140 71.750 8.043 -0.957 1.00 0.00 H new ATOM 0 HH12 ARG A 140 71.342 9.733 -0.647 1.00 0.00 H new ATOM 0 HH21 ARG A 140 69.510 9.054 2.238 1.00 0.00 H new ATOM 0 HH22 ARG A 140 70.100 10.293 1.126 1.00 0.00 H new ATOM 708 N PHE A 141 74.061 2.502 1.871 1.00 0.00 N ATOM 709 CA PHE A 141 73.875 1.819 3.150 1.00 0.00 C ATOM 710 C PHE A 141 75.184 1.725 3.938 1.00 0.00 C ATOM 711 O PHE A 141 75.171 1.716 5.170 1.00 0.00 O ATOM 712 CB PHE A 141 73.311 0.418 2.914 1.00 0.00 C ATOM 713 CG PHE A 141 72.910 -0.286 4.189 1.00 0.00 C ATOM 714 CD1 PHE A 141 71.613 -0.131 4.695 1.00 0.00 C ATOM 715 CD2 PHE A 141 73.834 -1.091 4.866 1.00 0.00 C ATOM 716 CE1 PHE A 141 71.240 -0.781 5.877 1.00 0.00 C ATOM 717 CE2 PHE A 141 73.461 -1.742 6.049 1.00 0.00 C ATOM 718 CZ PHE A 141 72.164 -1.587 6.554 1.00 0.00 C ATOM 0 H PHE A 141 73.787 1.959 1.052 1.00 0.00 H new ATOM 0 HA PHE A 141 73.171 2.405 3.741 1.00 0.00 H new ATOM 0 HB2 PHE A 141 72.444 0.489 2.258 1.00 0.00 H new ATOM 0 HB3 PHE A 141 74.056 -0.184 2.394 1.00 0.00 H new ATOM 0 HD1 PHE A 141 70.901 0.490 4.173 1.00 0.00 H new ATOM 0 HD2 PHE A 141 74.834 -1.210 4.476 1.00 0.00 H new ATOM 0 HE1 PHE A 141 70.240 -0.661 6.267 1.00 0.00 H new ATOM 0 HE2 PHE A 141 74.173 -2.363 6.571 1.00 0.00 H new ATOM 0 HZ PHE A 141 71.876 -2.089 7.466 1.00 0.00 H new ATOM 728 N GLU A 142 76.311 1.653 3.233 1.00 0.00 N ATOM 729 CA GLU A 142 77.610 1.508 3.884 1.00 0.00 C ATOM 730 C GLU A 142 78.129 2.813 4.500 1.00 0.00 C ATOM 731 O GLU A 142 79.092 2.775 5.266 1.00 0.00 O ATOM 732 CB GLU A 142 78.634 0.991 2.872 1.00 0.00 C ATOM 733 CG GLU A 142 78.269 -0.438 2.458 1.00 0.00 C ATOM 734 CD GLU A 142 79.312 -1.020 1.501 1.00 0.00 C ATOM 735 OE1 GLU A 142 80.021 -0.255 0.863 1.00 0.00 O ATOM 736 OE2 GLU A 142 79.377 -2.235 1.407 1.00 0.00 O ATOM 0 H GLU A 142 76.351 1.693 2.215 1.00 0.00 H new ATOM 0 HA GLU A 142 77.473 0.799 4.701 1.00 0.00 H new ATOM 0 HB2 GLU A 142 78.655 1.640 1.997 1.00 0.00 H new ATOM 0 HB3 GLU A 142 79.633 1.011 3.308 1.00 0.00 H new ATOM 0 HG2 GLU A 142 78.193 -1.068 3.344 1.00 0.00 H new ATOM 0 HG3 GLU A 142 77.290 -0.442 1.979 1.00 0.00 H new ATOM 743 N THR A 143 77.522 3.956 4.175 1.00 0.00 N ATOM 744 CA THR A 143 77.962 5.230 4.739 1.00 0.00 C ATOM 745 C THR A 143 77.289 5.470 6.098 1.00 0.00 C ATOM 746 O THR A 143 76.104 5.806 6.120 1.00 0.00 O ATOM 747 CB THR A 143 77.574 6.364 3.787 1.00 0.00 C ATOM 748 OG1 THR A 143 78.066 6.076 2.486 1.00 0.00 O ATOM 749 CG2 THR A 143 78.178 7.679 4.284 1.00 0.00 C ATOM 0 H THR A 143 76.733 4.025 3.532 1.00 0.00 H new ATOM 0 HA THR A 143 79.043 5.203 4.873 1.00 0.00 H new ATOM 0 HB THR A 143 76.488 6.456 3.753 1.00 0.00 H new ATOM 0 HG1 THR A 143 77.506 5.388 2.069 1.00 0.00 H new ATOM 0 HG21 THR A 143 77.901 8.486 3.605 1.00 0.00 H new ATOM 0 HG22 THR A 143 77.800 7.899 5.282 1.00 0.00 H new ATOM 0 HG23 THR A 143 79.264 7.591 4.319 1.00 0.00 H new ATOM 757 N PRO A 144 77.981 5.359 7.217 1.00 0.00 N ATOM 758 CA PRO A 144 77.314 5.465 8.558 1.00 0.00 C ATOM 759 C PRO A 144 76.582 6.793 8.776 1.00 0.00 C ATOM 760 O PRO A 144 75.784 6.918 9.705 1.00 0.00 O ATOM 761 CB PRO A 144 78.452 5.302 9.575 1.00 0.00 C ATOM 762 CG PRO A 144 79.579 4.687 8.819 1.00 0.00 C ATOM 763 CD PRO A 144 79.435 5.176 7.382 1.00 0.00 C ATOM 0 HA PRO A 144 76.537 4.707 8.655 1.00 0.00 H new ATOM 0 HB2 PRO A 144 78.742 6.264 9.997 1.00 0.00 H new ATOM 0 HB3 PRO A 144 78.146 4.668 10.407 1.00 0.00 H new ATOM 0 HG2 PRO A 144 80.540 4.986 9.239 1.00 0.00 H new ATOM 0 HG3 PRO A 144 79.534 3.599 8.868 1.00 0.00 H new ATOM 0 HD2 PRO A 144 79.976 6.108 7.220 1.00 0.00 H new ATOM 0 HD3 PRO A 144 79.830 4.450 6.671 1.00 0.00 H new ATOM 771 N GLY A 145 76.849 7.782 7.927 1.00 0.00 N ATOM 772 CA GLY A 145 76.240 9.101 8.083 1.00 0.00 C ATOM 773 C GLY A 145 74.739 9.101 7.777 1.00 0.00 C ATOM 774 O GLY A 145 74.010 9.968 8.260 1.00 0.00 O ATOM 0 H GLY A 145 77.479 7.697 7.129 1.00 0.00 H new ATOM 0 HA2 GLY A 145 76.398 9.451 9.103 1.00 0.00 H new ATOM 0 HA3 GLY A 145 76.741 9.808 7.422 1.00 0.00 H new ATOM 778 N ILE A 146 74.273 8.140 6.982 1.00 0.00 N ATOM 779 CA ILE A 146 72.873 8.108 6.574 1.00 0.00 C ATOM 780 C ILE A 146 72.086 7.136 7.450 1.00 0.00 C ATOM 781 O ILE A 146 72.574 6.063 7.806 1.00 0.00 O ATOM 782 CB ILE A 146 72.769 7.707 5.095 1.00 0.00 C ATOM 783 CG1 ILE A 146 73.567 8.697 4.240 1.00 0.00 C ATOM 784 CG2 ILE A 146 71.303 7.733 4.647 1.00 0.00 C ATOM 785 CD1 ILE A 146 73.707 8.155 2.816 1.00 0.00 C ATOM 0 H ILE A 146 74.841 7.379 6.610 1.00 0.00 H new ATOM 0 HA ILE A 146 72.445 9.103 6.698 1.00 0.00 H new ATOM 0 HB ILE A 146 73.169 6.701 4.972 1.00 0.00 H new ATOM 0 HG12 ILE A 146 73.065 9.664 4.223 1.00 0.00 H new ATOM 0 HG13 ILE A 146 74.553 8.857 4.677 1.00 0.00 H new ATOM 0 HG21 ILE A 146 71.238 7.447 3.597 1.00 0.00 H new ATOM 0 HG22 ILE A 146 70.726 7.032 5.250 1.00 0.00 H new ATOM 0 HG23 ILE A 146 70.901 8.738 4.775 1.00 0.00 H new ATOM 0 HD11 ILE A 146 74.275 8.862 2.212 1.00 0.00 H new ATOM 0 HD12 ILE A 146 74.228 7.198 2.841 1.00 0.00 H new ATOM 0 HD13 ILE A 146 72.717 8.018 2.380 1.00 0.00 H new ATOM 797 N ALA A 147 70.863 7.529 7.791 1.00 0.00 N ATOM 798 CA ALA A 147 70.018 6.735 8.674 1.00 0.00 C ATOM 799 C ALA A 147 69.700 5.368 8.073 1.00 0.00 C ATOM 800 O ALA A 147 69.767 5.164 6.857 1.00 0.00 O ATOM 801 CB ALA A 147 68.713 7.485 8.955 1.00 0.00 C ATOM 0 H ALA A 147 70.434 8.396 7.467 1.00 0.00 H new ATOM 0 HA ALA A 147 70.565 6.576 9.603 1.00 0.00 H new ATOM 0 HB1 ALA A 147 68.085 6.887 9.615 1.00 0.00 H new ATOM 0 HB2 ALA A 147 68.937 8.439 9.432 1.00 0.00 H new ATOM 0 HB3 ALA A 147 68.187 7.663 8.017 1.00 0.00 H new ATOM 807 N SER A 148 69.385 4.423 8.952 1.00 0.00 N ATOM 808 CA SER A 148 68.982 3.092 8.520 1.00 0.00 C ATOM 809 C SER A 148 67.922 2.524 9.458 1.00 0.00 C ATOM 810 O SER A 148 68.016 2.657 10.678 1.00 0.00 O ATOM 811 CB SER A 148 70.196 2.162 8.494 1.00 0.00 C ATOM 812 OG SER A 148 70.574 1.852 9.830 1.00 0.00 O ATOM 0 H SER A 148 69.401 4.554 9.963 1.00 0.00 H new ATOM 0 HA SER A 148 68.561 3.166 7.517 1.00 0.00 H new ATOM 0 HB2 SER A 148 69.958 1.248 7.949 1.00 0.00 H new ATOM 0 HB3 SER A 148 71.024 2.639 7.970 1.00 0.00 H new ATOM 0 HG SER A 148 71.351 1.255 9.820 1.00 0.00 H new ATOM 818 N SER A 149 66.914 1.890 8.871 1.00 0.00 N ATOM 819 CA SER A 149 65.848 1.248 9.636 1.00 0.00 C ATOM 820 C SER A 149 65.718 -0.212 9.199 1.00 0.00 C ATOM 821 O SER A 149 66.266 -0.583 8.162 1.00 0.00 O ATOM 822 CB SER A 149 64.520 1.977 9.409 1.00 0.00 C ATOM 823 OG SER A 149 64.465 2.474 8.078 1.00 0.00 O ATOM 0 H SER A 149 66.811 1.806 7.860 1.00 0.00 H new ATOM 0 HA SER A 149 66.094 1.291 10.697 1.00 0.00 H new ATOM 0 HB2 SER A 149 63.687 1.298 9.588 1.00 0.00 H new ATOM 0 HB3 SER A 149 64.420 2.799 10.118 1.00 0.00 H new ATOM 0 HG SER A 149 63.613 2.938 7.937 1.00 0.00 H new ATOM 829 N PRO A 150 65.034 -1.053 9.949 1.00 0.00 N ATOM 830 CA PRO A 150 64.865 -2.489 9.559 1.00 0.00 C ATOM 831 C PRO A 150 64.482 -2.654 8.088 1.00 0.00 C ATOM 832 O PRO A 150 65.052 -3.482 7.376 1.00 0.00 O ATOM 833 CB PRO A 150 63.746 -2.987 10.474 1.00 0.00 C ATOM 834 CG PRO A 150 63.843 -2.142 11.697 1.00 0.00 C ATOM 835 CD PRO A 150 64.374 -0.780 11.245 1.00 0.00 C ATOM 0 HA PRO A 150 65.793 -3.050 9.669 1.00 0.00 H new ATOM 0 HB2 PRO A 150 62.771 -2.882 9.998 1.00 0.00 H new ATOM 0 HB3 PRO A 150 63.872 -4.043 10.713 1.00 0.00 H new ATOM 0 HG2 PRO A 150 62.869 -2.039 12.175 1.00 0.00 H new ATOM 0 HG3 PRO A 150 64.511 -2.595 12.429 1.00 0.00 H new ATOM 0 HD2 PRO A 150 63.567 -0.056 11.135 1.00 0.00 H new ATOM 0 HD3 PRO A 150 65.076 -0.367 11.969 1.00 0.00 H new ATOM 843 N GLU A 151 63.540 -1.837 7.628 1.00 0.00 N ATOM 844 CA GLU A 151 63.131 -1.877 6.229 1.00 0.00 C ATOM 845 C GLU A 151 64.329 -1.614 5.319 1.00 0.00 C ATOM 846 O GLU A 151 64.542 -2.320 4.332 1.00 0.00 O ATOM 847 CB GLU A 151 62.049 -0.827 5.970 1.00 0.00 C ATOM 848 CG GLU A 151 61.480 -1.012 4.557 1.00 0.00 C ATOM 849 CD GLU A 151 60.443 0.062 4.213 1.00 0.00 C ATOM 850 OE1 GLU A 151 60.259 0.989 4.990 1.00 0.00 O ATOM 851 OE2 GLU A 151 59.837 -0.061 3.162 1.00 0.00 O ATOM 0 H GLU A 151 63.050 -1.146 8.197 1.00 0.00 H new ATOM 0 HA GLU A 151 62.731 -2.867 6.012 1.00 0.00 H new ATOM 0 HB2 GLU A 151 61.253 -0.921 6.709 1.00 0.00 H new ATOM 0 HB3 GLU A 151 62.467 0.174 6.077 1.00 0.00 H new ATOM 0 HG2 GLU A 151 62.292 -0.978 3.831 1.00 0.00 H new ATOM 0 HG3 GLU A 151 61.022 -1.998 4.476 1.00 0.00 H new ATOM 858 N CYS A 152 65.127 -0.611 5.670 1.00 0.00 N ATOM 859 CA CYS A 152 66.292 -0.263 4.866 1.00 0.00 C ATOM 860 C CYS A 152 67.238 -1.454 4.754 1.00 0.00 C ATOM 861 O CYS A 152 67.765 -1.743 3.682 1.00 0.00 O ATOM 862 CB CYS A 152 67.036 0.916 5.494 1.00 0.00 C ATOM 863 SG CYS A 152 65.921 2.336 5.618 1.00 0.00 S ATOM 0 H CYS A 152 64.990 -0.030 6.497 1.00 0.00 H new ATOM 0 HA CYS A 152 65.947 0.016 3.870 1.00 0.00 H new ATOM 0 HB2 CYS A 152 67.405 0.642 6.483 1.00 0.00 H new ATOM 0 HB3 CYS A 152 67.906 1.175 4.890 1.00 0.00 H new ATOM 0 HG CYS A 152 65.157 2.198 6.661 1.00 0.00 H new ATOM 869 N MET A 153 67.435 -2.152 5.865 1.00 0.00 N ATOM 870 CA MET A 153 68.357 -3.282 5.892 1.00 0.00 C ATOM 871 C MET A 153 67.938 -4.338 4.878 1.00 0.00 C ATOM 872 O MET A 153 68.764 -4.853 4.124 1.00 0.00 O ATOM 873 CB MET A 153 68.387 -3.898 7.294 1.00 0.00 C ATOM 874 CG MET A 153 68.903 -2.872 8.309 1.00 0.00 C ATOM 875 SD MET A 153 69.751 -3.735 9.656 1.00 0.00 S ATOM 876 CE MET A 153 71.194 -4.296 8.716 1.00 0.00 C ATOM 0 H MET A 153 66.973 -1.958 6.754 1.00 0.00 H new ATOM 0 HA MET A 153 69.353 -2.922 5.633 1.00 0.00 H new ATOM 0 HB2 MET A 153 67.387 -4.229 7.576 1.00 0.00 H new ATOM 0 HB3 MET A 153 69.028 -4.780 7.299 1.00 0.00 H new ATOM 0 HG2 MET A 153 69.585 -2.174 7.823 1.00 0.00 H new ATOM 0 HG3 MET A 153 68.074 -2.285 8.703 1.00 0.00 H new ATOM 0 HE1 MET A 153 71.293 -5.377 8.812 1.00 0.00 H new ATOM 0 HE2 MET A 153 71.068 -4.035 7.665 1.00 0.00 H new ATOM 0 HE3 MET A 153 72.091 -3.814 9.104 1.00 0.00 H new ATOM 886 N GLU A 154 66.646 -4.644 4.846 1.00 0.00 N ATOM 887 CA GLU A 154 66.135 -5.645 3.913 1.00 0.00 C ATOM 888 C GLU A 154 66.455 -5.239 2.478 1.00 0.00 C ATOM 889 O GLU A 154 66.931 -6.045 1.678 1.00 0.00 O ATOM 890 CB GLU A 154 64.622 -5.795 4.080 1.00 0.00 C ATOM 891 CG GLU A 154 64.316 -6.380 5.463 1.00 0.00 C ATOM 892 CD GLU A 154 62.816 -6.626 5.643 1.00 0.00 C ATOM 893 OE1 GLU A 154 62.029 -6.017 4.935 1.00 0.00 O ATOM 894 OE2 GLU A 154 62.474 -7.429 6.495 1.00 0.00 O ATOM 0 H GLU A 154 65.939 -4.220 5.447 1.00 0.00 H new ATOM 0 HA GLU A 154 66.615 -6.599 4.129 1.00 0.00 H new ATOM 0 HB2 GLU A 154 64.135 -4.826 3.967 1.00 0.00 H new ATOM 0 HB3 GLU A 154 64.222 -6.445 3.302 1.00 0.00 H new ATOM 0 HG2 GLU A 154 64.858 -7.317 5.592 1.00 0.00 H new ATOM 0 HG3 GLU A 154 64.670 -5.697 6.235 1.00 0.00 H new ATOM 901 N LEU A 155 66.215 -3.972 2.165 1.00 0.00 N ATOM 902 CA LEU A 155 66.484 -3.462 0.825 1.00 0.00 C ATOM 903 C LEU A 155 67.954 -3.662 0.468 1.00 0.00 C ATOM 904 O LEU A 155 68.291 -4.099 -0.633 1.00 0.00 O ATOM 905 CB LEU A 155 66.118 -1.975 0.758 1.00 0.00 C ATOM 906 CG LEU A 155 64.624 -1.798 1.052 1.00 0.00 C ATOM 907 CD1 LEU A 155 64.338 -0.335 1.400 1.00 0.00 C ATOM 908 CD2 LEU A 155 63.793 -2.190 -0.173 1.00 0.00 C ATOM 0 H LEU A 155 65.837 -3.282 2.815 1.00 0.00 H new ATOM 0 HA LEU A 155 65.877 -4.012 0.105 1.00 0.00 H new ATOM 0 HB2 LEU A 155 66.710 -1.412 1.480 1.00 0.00 H new ATOM 0 HB3 LEU A 155 66.354 -1.576 -0.229 1.00 0.00 H new ATOM 0 HG LEU A 155 64.355 -2.439 1.891 1.00 0.00 H new ATOM 0 HD11 LEU A 155 63.275 -0.212 1.609 1.00 0.00 H new ATOM 0 HD12 LEU A 155 64.916 -0.051 2.279 1.00 0.00 H new ATOM 0 HD13 LEU A 155 64.619 0.300 0.560 1.00 0.00 H new ATOM 0 HD21 LEU A 155 62.734 -2.060 0.049 1.00 0.00 H new ATOM 0 HD22 LEU A 155 64.067 -1.557 -1.017 1.00 0.00 H new ATOM 0 HD23 LEU A 155 63.985 -3.233 -0.425 1.00 0.00 H new ATOM 920 N TYR A 156 68.830 -3.372 1.422 1.00 0.00 N ATOM 921 CA TYR A 156 70.264 -3.519 1.206 1.00 0.00 C ATOM 922 C TYR A 156 70.598 -4.957 0.818 1.00 0.00 C ATOM 923 O TYR A 156 71.344 -5.203 -0.127 1.00 0.00 O ATOM 924 CB TYR A 156 71.009 -3.132 2.487 1.00 0.00 C ATOM 925 CG TYR A 156 72.506 -3.332 2.421 1.00 0.00 C ATOM 926 CD1 TYR A 156 73.213 -2.992 1.263 1.00 0.00 C ATOM 927 CD2 TYR A 156 73.186 -3.859 3.526 1.00 0.00 C ATOM 928 CE1 TYR A 156 74.600 -3.179 1.210 1.00 0.00 C ATOM 929 CE2 TYR A 156 74.572 -4.046 3.474 1.00 0.00 C ATOM 930 CZ TYR A 156 75.279 -3.705 2.315 1.00 0.00 C ATOM 931 OH TYR A 156 76.646 -3.888 2.261 1.00 0.00 O ATOM 0 H TYR A 156 68.574 -3.035 2.350 1.00 0.00 H new ATOM 0 HA TYR A 156 70.574 -2.863 0.392 1.00 0.00 H new ATOM 0 HB2 TYR A 156 70.804 -2.085 2.711 1.00 0.00 H new ATOM 0 HB3 TYR A 156 70.612 -3.719 3.315 1.00 0.00 H new ATOM 0 HD1 TYR A 156 72.690 -2.585 0.410 1.00 0.00 H new ATOM 0 HD2 TYR A 156 72.640 -4.122 4.420 1.00 0.00 H new ATOM 0 HE1 TYR A 156 75.146 -2.917 0.316 1.00 0.00 H new ATOM 0 HE2 TYR A 156 75.095 -4.453 4.327 1.00 0.00 H new ATOM 0 HH TYR A 156 76.960 -4.261 3.111 1.00 0.00 H new ATOM 941 N MET A 157 70.017 -5.905 1.541 1.00 0.00 N ATOM 942 CA MET A 157 70.282 -7.317 1.290 1.00 0.00 C ATOM 943 C MET A 157 69.934 -7.677 -0.152 1.00 0.00 C ATOM 944 O MET A 157 70.706 -8.339 -0.845 1.00 0.00 O ATOM 945 CB MET A 157 69.457 -8.172 2.256 1.00 0.00 C ATOM 946 CG MET A 157 69.808 -9.651 2.075 1.00 0.00 C ATOM 947 SD MET A 157 68.879 -10.639 3.275 1.00 0.00 S ATOM 948 CE MET A 157 67.225 -10.296 2.626 1.00 0.00 C ATOM 0 H MET A 157 69.362 -5.725 2.302 1.00 0.00 H new ATOM 0 HA MET A 157 71.343 -7.512 1.448 1.00 0.00 H new ATOM 0 HB2 MET A 157 69.653 -7.866 3.284 1.00 0.00 H new ATOM 0 HB3 MET A 157 68.393 -8.017 2.075 1.00 0.00 H new ATOM 0 HG2 MET A 157 69.570 -9.972 1.061 1.00 0.00 H new ATOM 0 HG3 MET A 157 70.879 -9.802 2.214 1.00 0.00 H new ATOM 0 HE1 MET A 157 66.636 -11.213 2.628 1.00 0.00 H new ATOM 0 HE2 MET A 157 66.736 -9.549 3.252 1.00 0.00 H new ATOM 0 HE3 MET A 157 67.305 -9.918 1.607 1.00 0.00 H new ATOM 958 N GLU A 158 68.777 -7.210 -0.608 1.00 0.00 N ATOM 959 CA GLU A 158 68.323 -7.523 -1.957 1.00 0.00 C ATOM 960 C GLU A 158 69.340 -7.044 -2.986 1.00 0.00 C ATOM 961 O GLU A 158 69.713 -7.778 -3.901 1.00 0.00 O ATOM 962 CB GLU A 158 66.969 -6.861 -2.224 1.00 0.00 C ATOM 963 CG GLU A 158 65.922 -7.434 -1.264 1.00 0.00 C ATOM 964 CD GLU A 158 64.522 -6.902 -1.579 1.00 0.00 C ATOM 965 OE1 GLU A 158 64.413 -5.877 -2.236 1.00 0.00 O ATOM 966 OE2 GLU A 158 63.570 -7.528 -1.143 1.00 0.00 O ATOM 0 H GLU A 158 68.143 -6.620 -0.070 1.00 0.00 H new ATOM 0 HA GLU A 158 68.217 -8.604 -2.042 1.00 0.00 H new ATOM 0 HB2 GLU A 158 67.047 -5.782 -2.092 1.00 0.00 H new ATOM 0 HB3 GLU A 158 66.665 -7.034 -3.256 1.00 0.00 H new ATOM 0 HG2 GLU A 158 65.922 -8.522 -1.331 1.00 0.00 H new ATOM 0 HG3 GLU A 158 66.188 -7.177 -0.239 1.00 0.00 H new ATOM 973 N ALA A 159 69.811 -5.814 -2.814 1.00 0.00 N ATOM 974 CA ALA A 159 70.773 -5.243 -3.750 1.00 0.00 C ATOM 975 C ALA A 159 72.030 -6.104 -3.813 1.00 0.00 C ATOM 976 O ALA A 159 72.543 -6.400 -4.892 1.00 0.00 O ATOM 977 CB ALA A 159 71.144 -3.821 -3.326 1.00 0.00 C ATOM 0 H ALA A 159 69.546 -5.199 -2.045 1.00 0.00 H new ATOM 0 HA ALA A 159 70.314 -5.213 -4.738 1.00 0.00 H new ATOM 0 HB1 ALA A 159 71.863 -3.406 -4.033 1.00 0.00 H new ATOM 0 HB2 ALA A 159 70.248 -3.200 -3.313 1.00 0.00 H new ATOM 0 HB3 ALA A 159 71.586 -3.842 -2.330 1.00 0.00 H new ATOM 983 N LEU A 160 72.504 -6.537 -2.649 1.00 0.00 N ATOM 984 CA LEU A 160 73.719 -7.344 -2.580 1.00 0.00 C ATOM 985 C LEU A 160 73.583 -8.592 -3.444 1.00 0.00 C ATOM 986 O LEU A 160 74.505 -8.964 -4.168 1.00 0.00 O ATOM 987 CB LEU A 160 73.989 -7.765 -1.134 1.00 0.00 C ATOM 988 CG LEU A 160 74.319 -6.536 -0.285 1.00 0.00 C ATOM 989 CD1 LEU A 160 74.367 -6.937 1.192 1.00 0.00 C ATOM 990 CD2 LEU A 160 75.680 -5.976 -0.705 1.00 0.00 C ATOM 0 H LEU A 160 72.070 -6.345 -1.746 1.00 0.00 H new ATOM 0 HA LEU A 160 74.549 -6.741 -2.949 1.00 0.00 H new ATOM 0 HB2 LEU A 160 73.117 -8.276 -0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 160 74.817 -8.473 -1.101 1.00 0.00 H new ATOM 0 HG LEU A 160 73.552 -5.775 -0.432 1.00 0.00 H new ATOM 0 HD11 LEU A 160 74.602 -6.063 1.799 1.00 0.00 H new ATOM 0 HD12 LEU A 160 73.399 -7.337 1.492 1.00 0.00 H new ATOM 0 HD13 LEU A 160 75.135 -7.697 1.338 1.00 0.00 H new ATOM 0 HD21 LEU A 160 75.915 -5.100 -0.100 1.00 0.00 H new ATOM 0 HD22 LEU A 160 76.447 -6.736 -0.557 1.00 0.00 H new ATOM 0 HD23 LEU A 160 75.648 -5.692 -1.757 1.00 0.00 H new ATOM 1002 N GLN A 161 72.424 -9.232 -3.357 1.00 0.00 N ATOM 1003 CA GLN A 161 72.172 -10.434 -4.141 1.00 0.00 C ATOM 1004 C GLN A 161 72.289 -10.127 -5.629 1.00 0.00 C ATOM 1005 O GLN A 161 72.968 -10.836 -6.371 1.00 0.00 O ATOM 1006 CB GLN A 161 70.773 -10.973 -3.836 1.00 0.00 C ATOM 1007 CG GLN A 161 70.701 -11.411 -2.371 1.00 0.00 C ATOM 1008 CD GLN A 161 69.288 -11.870 -2.023 1.00 0.00 C ATOM 1009 OE1 GLN A 161 68.325 -11.489 -2.688 1.00 0.00 O ATOM 1010 NE2 GLN A 161 69.106 -12.672 -1.010 1.00 0.00 N ATOM 0 H GLN A 161 71.651 -8.943 -2.758 1.00 0.00 H new ATOM 0 HA GLN A 161 72.914 -11.187 -3.874 1.00 0.00 H new ATOM 0 HB2 GLN A 161 70.025 -10.205 -4.034 1.00 0.00 H new ATOM 0 HB3 GLN A 161 70.546 -11.815 -4.490 1.00 0.00 H new ATOM 0 HG2 GLN A 161 71.408 -12.221 -2.192 1.00 0.00 H new ATOM 0 HG3 GLN A 161 70.992 -10.584 -1.723 1.00 0.00 H new ATOM 0 HE21 GLN A 161 69.905 -12.987 -0.459 1.00 0.00 H new ATOM 0 HE22 GLN A 161 68.165 -12.984 -0.769 1.00 0.00 H new ATOM 1019 N ARG A 162 71.673 -9.029 -6.049 1.00 0.00 N ATOM 1020 CA ARG A 162 71.659 -8.661 -7.460 1.00 0.00 C ATOM 1021 C ARG A 162 73.076 -8.546 -8.015 1.00 0.00 C ATOM 1022 O ARG A 162 73.350 -8.977 -9.135 1.00 0.00 O ATOM 1023 CB ARG A 162 70.940 -7.321 -7.639 1.00 0.00 C ATOM 1024 CG ARG A 162 69.486 -7.432 -7.160 1.00 0.00 C ATOM 1025 CD ARG A 162 68.595 -6.471 -7.953 1.00 0.00 C ATOM 1026 NE ARG A 162 68.450 -6.939 -9.334 1.00 0.00 N ATOM 1027 CZ ARG A 162 67.662 -6.340 -10.239 1.00 0.00 C ATOM 1028 NH1 ARG A 162 66.949 -5.277 -9.952 1.00 0.00 N ATOM 1029 NH2 ARG A 162 67.602 -6.831 -11.447 1.00 0.00 N ATOM 0 H ARG A 162 71.179 -8.380 -5.436 1.00 0.00 H new ATOM 0 HA ARG A 162 71.133 -9.444 -8.006 1.00 0.00 H new ATOM 0 HB2 ARG A 162 71.458 -6.544 -7.076 1.00 0.00 H new ATOM 0 HB3 ARG A 162 70.964 -7.024 -8.688 1.00 0.00 H new ATOM 0 HG2 ARG A 162 69.131 -8.455 -7.284 1.00 0.00 H new ATOM 0 HG3 ARG A 162 69.427 -7.201 -6.096 1.00 0.00 H new ATOM 0 HD2 ARG A 162 67.615 -6.399 -7.481 1.00 0.00 H new ATOM 0 HD3 ARG A 162 69.028 -5.471 -7.944 1.00 0.00 H new ATOM 0 HE ARG A 162 68.976 -7.764 -9.622 1.00 0.00 H new ATOM 0 HH11 ARG A 162 66.983 -4.879 -9.014 1.00 0.00 H new ATOM 0 HH12 ARG A 162 66.361 -4.849 -10.667 1.00 0.00 H new ATOM 0 HH21 ARG A 162 68.149 -7.657 -11.690 1.00 0.00 H new ATOM 0 HH22 ARG A 162 67.008 -6.389 -12.148 1.00 0.00 H new ATOM 1043 N ILE A 163 73.971 -7.965 -7.225 1.00 0.00 N ATOM 1044 CA ILE A 163 75.334 -7.703 -7.696 1.00 0.00 C ATOM 1045 C ILE A 163 76.297 -8.873 -7.460 1.00 0.00 C ATOM 1046 O ILE A 163 77.512 -8.702 -7.565 1.00 0.00 O ATOM 1047 CB ILE A 163 75.883 -6.436 -7.034 1.00 0.00 C ATOM 1048 CG1 ILE A 163 75.849 -6.591 -5.510 1.00 0.00 C ATOM 1049 CG2 ILE A 163 75.026 -5.237 -7.452 1.00 0.00 C ATOM 1050 CD1 ILE A 163 76.654 -5.462 -4.860 1.00 0.00 C ATOM 0 H ILE A 163 73.786 -7.668 -6.267 1.00 0.00 H new ATOM 0 HA ILE A 163 75.267 -7.567 -8.775 1.00 0.00 H new ATOM 0 HB ILE A 163 76.913 -6.276 -7.351 1.00 0.00 H new ATOM 0 HG12 ILE A 163 74.819 -6.567 -5.155 1.00 0.00 H new ATOM 0 HG13 ILE A 163 76.263 -7.558 -5.223 1.00 0.00 H new ATOM 0 HG21 ILE A 163 75.413 -4.332 -6.983 1.00 0.00 H new ATOM 0 HG22 ILE A 163 75.059 -5.127 -8.536 1.00 0.00 H new ATOM 0 HG23 ILE A 163 73.996 -5.398 -7.135 1.00 0.00 H new ATOM 0 HD11 ILE A 163 76.628 -5.574 -3.776 1.00 0.00 H new ATOM 0 HD12 ILE A 163 77.687 -5.506 -5.205 1.00 0.00 H new ATOM 0 HD13 ILE A 163 76.220 -4.501 -5.136 1.00 0.00 H new ATOM 1062 N GLY A 164 75.772 -10.054 -7.143 1.00 0.00 N ATOM 1063 CA GLY A 164 76.604 -11.251 -7.028 1.00 0.00 C ATOM 1064 C GLY A 164 77.432 -11.293 -5.741 1.00 0.00 C ATOM 1065 O GLY A 164 78.423 -12.020 -5.670 1.00 0.00 O ATOM 0 H GLY A 164 74.780 -10.209 -6.962 1.00 0.00 H new ATOM 0 HA2 GLY A 164 75.966 -12.134 -7.070 1.00 0.00 H new ATOM 0 HA3 GLY A 164 77.275 -11.302 -7.885 1.00 0.00 H new ATOM 1069 N ARG A 165 77.039 -10.523 -4.728 1.00 0.00 N ATOM 1070 CA ARG A 165 77.730 -10.558 -3.443 1.00 0.00 C ATOM 1071 C ARG A 165 76.992 -11.478 -2.475 1.00 0.00 C ATOM 1072 O ARG A 165 76.158 -11.028 -1.688 1.00 0.00 O ATOM 1073 CB ARG A 165 77.825 -9.149 -2.857 1.00 0.00 C ATOM 1074 CG ARG A 165 78.782 -8.310 -3.707 1.00 0.00 C ATOM 1075 CD ARG A 165 79.004 -6.950 -3.043 1.00 0.00 C ATOM 1076 NE ARG A 165 79.815 -6.090 -3.909 1.00 0.00 N ATOM 1077 CZ ARG A 165 80.416 -4.967 -3.484 1.00 0.00 C ATOM 1078 NH1 ARG A 165 80.323 -4.550 -2.244 1.00 0.00 N ATOM 1079 NH2 ARG A 165 81.118 -4.268 -4.333 1.00 0.00 N ATOM 0 H ARG A 165 76.254 -9.874 -4.772 1.00 0.00 H new ATOM 0 HA ARG A 165 78.738 -10.944 -3.597 1.00 0.00 H new ATOM 0 HB2 ARG A 165 76.839 -8.685 -2.834 1.00 0.00 H new ATOM 0 HB3 ARG A 165 78.180 -9.194 -1.827 1.00 0.00 H new ATOM 0 HG2 ARG A 165 79.733 -8.830 -3.821 1.00 0.00 H new ATOM 0 HG3 ARG A 165 78.371 -8.174 -4.708 1.00 0.00 H new ATOM 0 HD2 ARG A 165 78.044 -6.474 -2.842 1.00 0.00 H new ATOM 0 HD3 ARG A 165 79.501 -7.083 -2.082 1.00 0.00 H new ATOM 0 HE ARG A 165 79.929 -6.359 -4.886 1.00 0.00 H new ATOM 0 HH11 ARG A 165 79.780 -5.084 -1.566 1.00 0.00 H new ATOM 0 HH12 ARG A 165 80.794 -3.692 -1.958 1.00 0.00 H new ATOM 0 HH21 ARG A 165 81.203 -4.577 -5.301 1.00 0.00 H new ATOM 0 HH22 ARG A 165 81.582 -3.412 -4.029 1.00 0.00 H new