USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 554 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 147 GLN : amide:sc= 0.0182 K(o=-0.57,f=-2.7!) USER MOD Set 1.2: A 150 HIS :FLIP no HE2:sc= -0.592 F(o=-1.1,f=-0.57) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= 0.366 K(o=0.37,f=-1.6!) USER MOD Single : A 104 GLN : amide:sc= -0.171 K(o=-0.17,f=-1.8!) USER MOD Single : A 106 SER OG : rot -120:sc= -2.4! USER MOD Single : A 107 ASN : amide:sc= -4.15! C(o=-4.2!,f=-4.7!) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 HIS :FLIP no HD1:sc= -1.19 F(o=-2.4!,f=-1.2) USER MOD Single : A 116 LYS NZ :NH3+ -153:sc= -0.175 (180deg=-0.811) USER MOD Single : A 118 TYR OH : rot 180:sc= -0.0247 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 THR OG1 : rot 73:sc= 1.25 USER MOD Single : A 135 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 ASN :FLIP amide:sc= -0.0085 F(o=-1.1,f=-0.0085) USER MOD Single : A 141 GLN : amide:sc= -0.629 K(o=-0.63,f=-3.8!) USER MOD Single : A 143 GLN : amide:sc= -6.53! C(o=-6.5!,f=-9.7!) USER MOD Single : A 144 ASN : amide:sc= 0.32 K(o=0.32,f=-0.29) USER MOD Single : A 148 MET CE :methyl -146:sc= -0.0507 (180deg=-0.165) USER MOD Single : A 151 GLN : amide:sc= -0.0401 K(o=-0.04,f=-1.7!) USER MOD Single : A 152 TYR OH : rot 180:sc= 0 USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 162 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 96 1.067 12.486 -1.597 1.00 0.00 N ATOM 60 CA GLY A 96 1.527 11.485 -0.652 1.00 0.00 C ATOM 61 C GLY A 96 0.472 10.437 -0.357 1.00 0.00 C ATOM 62 O GLY A 96 -0.629 10.764 0.087 1.00 0.00 O ATOM 0 HA2 GLY A 96 2.418 10.998 -1.049 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.818 11.974 0.277 1.00 0.00 H new ATOM 66 N ILE A 97 0.807 9.176 -0.606 1.00 0.00 N ATOM 67 CA ILE A 97 -0.121 8.078 -0.365 1.00 0.00 C ATOM 68 C ILE A 97 0.528 6.984 0.477 1.00 0.00 C ATOM 69 O ILE A 97 1.742 6.782 0.422 1.00 0.00 O ATOM 70 CB ILE A 97 -0.623 7.464 -1.685 1.00 0.00 C ATOM 71 CG1 ILE A 97 0.560 7.100 -2.585 1.00 0.00 C ATOM 72 CG2 ILE A 97 -1.559 8.430 -2.396 1.00 0.00 C ATOM 73 CD1 ILE A 97 0.162 6.322 -3.820 1.00 0.00 C ATOM 0 H ILE A 97 1.714 8.889 -0.974 1.00 0.00 H new ATOM 0 HA ILE A 97 -0.969 8.496 0.177 1.00 0.00 H new ATOM 0 HB ILE A 97 -1.177 6.553 -1.458 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.069 8.014 -2.890 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.276 6.513 -2.010 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -1.905 7.982 -3.327 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -2.415 8.645 -1.756 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -1.028 9.357 -2.615 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.050 6.098 -4.411 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.321 5.391 -3.524 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.531 6.916 -4.416 1.00 0.00 H new ATOM 85 N LEU A 98 -0.288 6.280 1.253 1.00 0.00 N ATOM 86 CA LEU A 98 0.206 5.204 2.106 1.00 0.00 C ATOM 87 C LEU A 98 -0.174 3.841 1.537 1.00 0.00 C ATOM 88 O LEU A 98 -1.281 3.653 1.034 1.00 0.00 O ATOM 89 CB LEU A 98 -0.353 5.352 3.522 1.00 0.00 C ATOM 90 CG LEU A 98 0.268 6.458 4.376 1.00 0.00 C ATOM 91 CD1 LEU A 98 -0.433 6.550 5.723 1.00 0.00 C ATOM 92 CD2 LEU A 98 1.758 6.214 4.564 1.00 0.00 C ATOM 0 H LEU A 98 -1.295 6.434 1.310 1.00 0.00 H new ATOM 0 HA LEU A 98 1.293 5.272 2.142 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.425 5.534 3.451 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.225 4.403 4.043 1.00 0.00 H new ATOM 0 HG LEU A 98 0.138 7.407 3.856 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.023 7.342 6.317 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.489 6.773 5.569 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.336 5.601 6.249 1.00 0.00 H new ATOM 0 HD21 LEU A 98 2.183 7.011 5.174 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.910 5.256 5.061 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.250 6.200 3.591 1.00 0.00 H new ATOM 104 N VAL A 99 0.753 2.891 1.622 1.00 0.00 N ATOM 105 CA VAL A 99 0.514 1.544 1.118 1.00 0.00 C ATOM 106 C VAL A 99 0.346 0.552 2.264 1.00 0.00 C ATOM 107 O VAL A 99 1.300 -0.109 2.674 1.00 0.00 O ATOM 108 CB VAL A 99 1.666 1.072 0.211 1.00 0.00 C ATOM 109 CG1 VAL A 99 1.635 -0.440 0.052 1.00 0.00 C ATOM 110 CG2 VAL A 99 1.592 1.760 -1.144 1.00 0.00 C ATOM 0 H VAL A 99 1.675 3.030 2.035 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.406 1.582 0.535 1.00 0.00 H new ATOM 0 HB VAL A 99 2.611 1.345 0.681 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.456 -0.755 -0.592 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.739 -0.911 1.030 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.687 -0.739 -0.396 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.413 1.415 -1.772 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.643 1.519 -1.623 1.00 0.00 H new ATOM 0 HG23 VAL A 99 1.667 2.839 -1.009 1.00 0.00 H new ATOM 120 N LYS A 100 -0.876 0.451 2.776 1.00 0.00 N ATOM 121 CA LYS A 100 -1.173 -0.462 3.874 1.00 0.00 C ATOM 122 C LYS A 100 -1.611 -1.824 3.345 1.00 0.00 C ATOM 123 O LYS A 100 -1.709 -2.029 2.136 1.00 0.00 O ATOM 124 CB LYS A 100 -2.265 0.124 4.771 1.00 0.00 C ATOM 125 CG LYS A 100 -2.228 1.640 4.864 1.00 0.00 C ATOM 126 CD LYS A 100 -3.087 2.150 6.009 1.00 0.00 C ATOM 127 CE LYS A 100 -2.302 2.211 7.310 1.00 0.00 C ATOM 128 NZ LYS A 100 -3.176 1.999 8.496 1.00 0.00 N ATOM 0 H LYS A 100 -1.677 0.990 2.448 1.00 0.00 H new ATOM 0 HA LYS A 100 -0.263 -0.594 4.460 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.239 -0.185 4.392 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.165 -0.296 5.772 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -1.199 1.972 5.004 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -2.577 2.072 3.926 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.468 3.142 5.766 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.952 1.498 6.135 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -1.518 1.454 7.297 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -1.808 3.179 7.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -2.603 2.048 9.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -3.909 2.736 8.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -3.627 1.064 8.432 1.00 0.00 H new ATOM 142 N ASN A 101 -1.875 -2.752 4.259 1.00 0.00 N ATOM 143 CA ASN A 101 -2.304 -4.094 3.884 1.00 0.00 C ATOM 144 C ASN A 101 -1.236 -4.793 3.048 1.00 0.00 C ATOM 145 O ASN A 101 -1.538 -5.411 2.026 1.00 0.00 O ATOM 146 CB ASN A 101 -3.619 -4.033 3.104 1.00 0.00 C ATOM 147 CG ASN A 101 -4.424 -5.312 3.225 1.00 0.00 C ATOM 148 OD1 ASN A 101 -4.340 -6.019 4.230 1.00 0.00 O ATOM 149 ND2 ASN A 101 -5.210 -5.616 2.199 1.00 0.00 N ATOM 0 H ASN A 101 -1.799 -2.599 5.265 1.00 0.00 H new ATOM 0 HA ASN A 101 -2.458 -4.667 4.798 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -4.215 -3.196 3.468 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -3.406 -3.839 2.053 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -5.775 -6.465 2.224 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -5.248 -5.001 1.386 1.00 0.00 H new ATOM 156 N LEU A 102 0.012 -4.692 3.490 1.00 0.00 N ATOM 157 CA LEU A 102 1.126 -5.315 2.783 1.00 0.00 C ATOM 158 C LEU A 102 1.340 -6.748 3.259 1.00 0.00 C ATOM 159 O LEU A 102 1.032 -7.103 4.397 1.00 0.00 O ATOM 160 CB LEU A 102 2.405 -4.501 2.988 1.00 0.00 C ATOM 161 CG LEU A 102 2.445 -3.131 2.310 1.00 0.00 C ATOM 162 CD1 LEU A 102 3.593 -2.298 2.857 1.00 0.00 C ATOM 163 CD2 LEU A 102 2.569 -3.287 0.801 1.00 0.00 C ATOM 0 H LEU A 102 0.279 -4.185 4.334 1.00 0.00 H new ATOM 0 HA LEU A 102 0.883 -5.337 1.721 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.554 -4.359 4.058 1.00 0.00 H new ATOM 0 HB3 LEU A 102 3.248 -5.089 2.625 1.00 0.00 H new ATOM 0 HG LEU A 102 1.511 -2.612 2.527 1.00 0.00 H new ATOM 0 HD11 LEU A 102 3.605 -1.327 2.363 1.00 0.00 H new ATOM 0 HD12 LEU A 102 3.462 -2.158 3.930 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.536 -2.812 2.671 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.596 -2.302 0.334 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.487 -3.826 0.565 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.713 -3.845 0.421 1.00 0.00 H new ATOM 175 N PRO A 103 1.883 -7.593 2.370 1.00 0.00 N ATOM 176 CA PRO A 103 2.154 -9.000 2.678 1.00 0.00 C ATOM 177 C PRO A 103 3.292 -9.167 3.678 1.00 0.00 C ATOM 178 O PRO A 103 3.684 -8.213 4.350 1.00 0.00 O ATOM 179 CB PRO A 103 2.543 -9.592 1.321 1.00 0.00 C ATOM 180 CG PRO A 103 3.064 -8.435 0.539 1.00 0.00 C ATOM 181 CD PRO A 103 2.276 -7.239 0.996 1.00 0.00 C ATOM 0 HA PRO A 103 1.296 -9.488 3.141 1.00 0.00 H new ATOM 0 HB2 PRO A 103 3.300 -10.369 1.430 1.00 0.00 H new ATOM 0 HB3 PRO A 103 1.685 -10.049 0.828 1.00 0.00 H new ATOM 0 HG2 PRO A 103 4.130 -8.292 0.717 1.00 0.00 H new ATOM 0 HG3 PRO A 103 2.939 -8.599 -0.531 1.00 0.00 H new ATOM 0 HD2 PRO A 103 2.876 -6.329 0.972 1.00 0.00 H new ATOM 0 HD3 PRO A 103 1.407 -7.064 0.362 1.00 0.00 H new ATOM 189 N GLN A 104 3.819 -10.383 3.772 1.00 0.00 N ATOM 190 CA GLN A 104 4.913 -10.673 4.691 1.00 0.00 C ATOM 191 C GLN A 104 6.262 -10.515 3.998 1.00 0.00 C ATOM 192 O GLN A 104 7.301 -10.425 4.653 1.00 0.00 O ATOM 193 CB GLN A 104 4.776 -12.091 5.249 1.00 0.00 C ATOM 194 CG GLN A 104 3.506 -12.306 6.057 1.00 0.00 C ATOM 195 CD GLN A 104 3.683 -11.970 7.524 1.00 0.00 C ATOM 196 OE1 GLN A 104 4.790 -12.040 8.060 1.00 0.00 O ATOM 197 NE2 GLN A 104 2.591 -11.602 8.184 1.00 0.00 N ATOM 0 H GLN A 104 3.506 -11.184 3.223 1.00 0.00 H new ATOM 0 HA GLN A 104 4.862 -9.960 5.514 1.00 0.00 H new ATOM 0 HB2 GLN A 104 4.796 -12.801 4.423 1.00 0.00 H new ATOM 0 HB3 GLN A 104 5.639 -12.310 5.878 1.00 0.00 H new ATOM 0 HG2 GLN A 104 2.707 -11.692 5.641 1.00 0.00 H new ATOM 0 HG3 GLN A 104 3.191 -13.345 5.962 1.00 0.00 H new ATOM 0 HE21 GLN A 104 1.694 -11.557 7.701 1.00 0.00 H new ATOM 0 HE22 GLN A 104 2.649 -11.364 9.174 1.00 0.00 H new ATOM 206 N ASP A 105 6.240 -10.483 2.670 1.00 0.00 N ATOM 207 CA ASP A 105 7.462 -10.336 1.888 1.00 0.00 C ATOM 208 C ASP A 105 7.400 -9.087 1.014 1.00 0.00 C ATOM 209 O ASP A 105 7.936 -9.065 -0.093 1.00 0.00 O ATOM 210 CB ASP A 105 7.688 -11.572 1.017 1.00 0.00 C ATOM 211 CG ASP A 105 8.113 -12.781 1.827 1.00 0.00 C ATOM 212 OD1 ASP A 105 7.627 -12.931 2.967 1.00 0.00 O ATOM 213 OD2 ASP A 105 8.931 -13.577 1.320 1.00 0.00 O ATOM 0 H ASP A 105 5.389 -10.557 2.112 1.00 0.00 H new ATOM 0 HA ASP A 105 8.297 -10.232 2.581 1.00 0.00 H new ATOM 0 HB2 ASP A 105 6.771 -11.805 0.476 1.00 0.00 H new ATOM 0 HB3 ASP A 105 8.451 -11.352 0.270 1.00 0.00 H new ATOM 218 N SER A 106 6.742 -8.048 1.521 1.00 0.00 N ATOM 219 CA SER A 106 6.606 -6.797 0.784 1.00 0.00 C ATOM 220 C SER A 106 7.968 -6.144 0.566 1.00 0.00 C ATOM 221 O SER A 106 8.883 -6.309 1.372 1.00 0.00 O ATOM 222 CB SER A 106 5.682 -5.837 1.536 1.00 0.00 C ATOM 223 OG SER A 106 5.285 -4.758 0.707 1.00 0.00 O ATOM 0 H SER A 106 6.295 -8.048 2.438 1.00 0.00 H new ATOM 0 HA SER A 106 6.171 -7.022 -0.190 1.00 0.00 H new ATOM 0 HB2 SER A 106 4.801 -6.375 1.886 1.00 0.00 H new ATOM 0 HB3 SER A 106 6.192 -5.453 2.419 1.00 0.00 H new ATOM 0 HG SER A 106 5.578 -3.913 1.107 1.00 0.00 H new ATOM 229 N ASN A 107 8.093 -5.403 -0.530 1.00 0.00 N ATOM 230 CA ASN A 107 9.342 -4.725 -0.855 1.00 0.00 C ATOM 231 C ASN A 107 9.092 -3.537 -1.780 1.00 0.00 C ATOM 232 O ASN A 107 8.069 -3.473 -2.463 1.00 0.00 O ATOM 233 CB ASN A 107 10.319 -5.701 -1.514 1.00 0.00 C ATOM 234 CG ASN A 107 10.261 -7.084 -0.894 1.00 0.00 C ATOM 235 OD1 ASN A 107 10.789 -7.311 0.195 1.00 0.00 O ATOM 236 ND2 ASN A 107 9.618 -8.016 -1.588 1.00 0.00 N ATOM 0 H ASN A 107 7.345 -5.257 -1.208 1.00 0.00 H new ATOM 0 HA ASN A 107 9.778 -4.355 0.073 1.00 0.00 H new ATOM 0 HB2 ASN A 107 10.094 -5.773 -2.578 1.00 0.00 H new ATOM 0 HB3 ASN A 107 11.333 -5.310 -1.428 1.00 0.00 H new ATOM 0 HD21 ASN A 107 9.547 -8.966 -1.222 1.00 0.00 H new ATOM 0 HD22 ASN A 107 9.196 -7.782 -2.486 1.00 0.00 H new ATOM 243 N CYS A 108 10.032 -2.599 -1.796 1.00 0.00 N ATOM 244 CA CYS A 108 9.915 -1.413 -2.636 1.00 0.00 C ATOM 245 C CYS A 108 10.009 -1.781 -4.114 1.00 0.00 C ATOM 246 O CYS A 108 9.060 -1.587 -4.873 1.00 0.00 O ATOM 247 CB CYS A 108 11.007 -0.401 -2.281 1.00 0.00 C ATOM 248 SG CYS A 108 10.750 1.253 -2.999 1.00 0.00 S ATOM 0 H CYS A 108 10.884 -2.637 -1.237 1.00 0.00 H new ATOM 0 HA CYS A 108 8.939 -0.964 -2.453 1.00 0.00 H new ATOM 0 HB2 CYS A 108 11.064 -0.310 -1.196 1.00 0.00 H new ATOM 0 HB3 CYS A 108 11.969 -0.787 -2.619 1.00 0.00 H new ATOM 253 N GLN A 109 11.159 -2.314 -4.513 1.00 0.00 N ATOM 254 CA GLN A 109 11.376 -2.710 -5.900 1.00 0.00 C ATOM 255 C GLN A 109 10.088 -3.235 -6.525 1.00 0.00 C ATOM 256 O GLN A 109 9.824 -3.012 -7.706 1.00 0.00 O ATOM 257 CB GLN A 109 12.469 -3.777 -5.983 1.00 0.00 C ATOM 258 CG GLN A 109 12.781 -4.219 -7.404 1.00 0.00 C ATOM 259 CD GLN A 109 14.065 -5.020 -7.497 1.00 0.00 C ATOM 260 OE1 GLN A 109 15.035 -4.588 -8.120 1.00 0.00 O ATOM 261 NE2 GLN A 109 14.077 -6.194 -6.877 1.00 0.00 N ATOM 0 H GLN A 109 11.954 -2.482 -3.897 1.00 0.00 H new ATOM 0 HA GLN A 109 11.695 -1.829 -6.457 1.00 0.00 H new ATOM 0 HB2 GLN A 109 13.379 -3.390 -5.524 1.00 0.00 H new ATOM 0 HB3 GLN A 109 12.162 -4.646 -5.400 1.00 0.00 H new ATOM 0 HG2 GLN A 109 11.954 -4.819 -7.784 1.00 0.00 H new ATOM 0 HG3 GLN A 109 12.858 -3.341 -8.045 1.00 0.00 H new ATOM 0 HE21 GLN A 109 13.250 -6.513 -6.372 1.00 0.00 H new ATOM 0 HE22 GLN A 109 14.913 -6.777 -6.905 1.00 0.00 H new ATOM 270 N GLU A 110 9.289 -3.933 -5.724 1.00 0.00 N ATOM 271 CA GLU A 110 8.029 -4.491 -6.200 1.00 0.00 C ATOM 272 C GLU A 110 7.033 -3.382 -6.527 1.00 0.00 C ATOM 273 O GLU A 110 6.539 -3.288 -7.651 1.00 0.00 O ATOM 274 CB GLU A 110 7.434 -5.433 -5.151 1.00 0.00 C ATOM 275 CG GLU A 110 6.568 -6.533 -5.742 1.00 0.00 C ATOM 276 CD GLU A 110 5.773 -6.066 -6.946 1.00 0.00 C ATOM 277 OE1 GLU A 110 5.077 -5.036 -6.832 1.00 0.00 O ATOM 278 OE2 GLU A 110 5.847 -6.731 -8.000 1.00 0.00 O ATOM 0 H GLU A 110 9.492 -4.125 -4.743 1.00 0.00 H new ATOM 0 HA GLU A 110 8.231 -5.055 -7.111 1.00 0.00 H new ATOM 0 HB2 GLU A 110 8.245 -5.887 -4.581 1.00 0.00 H new ATOM 0 HB3 GLU A 110 6.838 -4.851 -4.448 1.00 0.00 H new ATOM 0 HG2 GLU A 110 7.201 -7.372 -6.032 1.00 0.00 H new ATOM 0 HG3 GLU A 110 5.882 -6.900 -4.979 1.00 0.00 H new ATOM 285 N VAL A 111 6.741 -2.545 -5.537 1.00 0.00 N ATOM 286 CA VAL A 111 5.805 -1.443 -5.718 1.00 0.00 C ATOM 287 C VAL A 111 6.332 -0.436 -6.735 1.00 0.00 C ATOM 288 O VAL A 111 5.647 -0.096 -7.700 1.00 0.00 O ATOM 289 CB VAL A 111 5.529 -0.716 -4.388 1.00 0.00 C ATOM 290 CG1 VAL A 111 4.584 0.456 -4.606 1.00 0.00 C ATOM 291 CG2 VAL A 111 4.962 -1.684 -3.361 1.00 0.00 C ATOM 0 H VAL A 111 7.140 -2.610 -4.600 1.00 0.00 H new ATOM 0 HA VAL A 111 4.875 -1.875 -6.087 1.00 0.00 H new ATOM 0 HB VAL A 111 6.472 -0.325 -4.005 1.00 0.00 H new ATOM 0 HG11 VAL A 111 4.401 0.957 -3.656 1.00 0.00 H new ATOM 0 HG12 VAL A 111 5.033 1.160 -5.307 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.640 0.092 -5.012 1.00 0.00 H new ATOM 0 HG21 VAL A 111 4.773 -1.154 -2.427 1.00 0.00 H new ATOM 0 HG22 VAL A 111 4.029 -2.105 -3.735 1.00 0.00 H new ATOM 0 HG23 VAL A 111 5.678 -2.487 -3.184 1.00 0.00 H new ATOM 301 N HIS A 112 7.553 0.039 -6.512 1.00 0.00 N ATOM 302 CA HIS A 112 8.173 1.007 -7.409 1.00 0.00 C ATOM 303 C HIS A 112 7.757 0.751 -8.855 1.00 0.00 C ATOM 304 O HIS A 112 7.280 1.654 -9.542 1.00 0.00 O ATOM 305 CB HIS A 112 9.696 0.945 -7.286 1.00 0.00 C ATOM 306 CG HIS A 112 10.373 2.250 -7.571 1.00 0.00 C ATOM 307 ND1 HIS A 112 10.564 3.338 -6.787 1.00 0.00 N flip ATOM 308 CD2 HIS A 112 10.947 2.551 -8.788 1.00 0.00 C flip ATOM 309 CE1 HIS A 112 11.244 4.265 -7.537 1.00 0.00 C flip ATOM 310 NE2 HIS A 112 11.464 3.766 -8.740 1.00 0.00 N flip ATOM 0 H HIS A 112 8.133 -0.231 -5.717 1.00 0.00 H new ATOM 0 HA HIS A 112 7.833 2.002 -7.122 1.00 0.00 H new ATOM 0 HB2 HIS A 112 9.958 0.621 -6.279 1.00 0.00 H new ATOM 0 HB3 HIS A 112 10.077 0.189 -7.973 1.00 0.00 H new ATOM 0 HD2 HIS A 112 10.970 1.896 -9.646 1.00 0.00 H new ATOM 0 HE1 HIS A 112 11.550 5.244 -7.198 1.00 0.00 H new ATOM 0 HE2 HIS A 112 11.950 4.238 -9.502 1.00 0.00 H new ATOM 319 N ASP A 113 7.941 -0.483 -9.309 1.00 0.00 N ATOM 320 CA ASP A 113 7.585 -0.858 -10.673 1.00 0.00 C ATOM 321 C ASP A 113 6.075 -0.788 -10.878 1.00 0.00 C ATOM 322 O ASP A 113 5.599 -0.320 -11.913 1.00 0.00 O ATOM 323 CB ASP A 113 8.090 -2.267 -10.986 1.00 0.00 C ATOM 324 CG ASP A 113 9.501 -2.266 -11.541 1.00 0.00 C ATOM 325 OD1 ASP A 113 10.366 -1.575 -10.963 1.00 0.00 O ATOM 326 OD2 ASP A 113 9.740 -2.956 -12.554 1.00 0.00 O ATOM 0 H ASP A 113 8.335 -1.242 -8.753 1.00 0.00 H new ATOM 0 HA ASP A 113 8.060 -0.151 -11.354 1.00 0.00 H new ATOM 0 HB2 ASP A 113 8.060 -2.871 -10.079 1.00 0.00 H new ATOM 0 HB3 ASP A 113 7.420 -2.739 -11.705 1.00 0.00 H new ATOM 331 N LEU A 114 5.326 -1.257 -9.886 1.00 0.00 N ATOM 332 CA LEU A 114 3.869 -1.249 -9.958 1.00 0.00 C ATOM 333 C LEU A 114 3.345 0.155 -10.242 1.00 0.00 C ATOM 334 O LEU A 114 2.469 0.343 -11.087 1.00 0.00 O ATOM 335 CB LEU A 114 3.271 -1.774 -8.652 1.00 0.00 C ATOM 336 CG LEU A 114 1.786 -1.487 -8.430 1.00 0.00 C ATOM 337 CD1 LEU A 114 0.929 -2.475 -9.206 1.00 0.00 C ATOM 338 CD2 LEU A 114 1.449 -1.537 -6.947 1.00 0.00 C ATOM 0 H LEU A 114 5.703 -1.647 -9.023 1.00 0.00 H new ATOM 0 HA LEU A 114 3.567 -1.902 -10.777 1.00 0.00 H new ATOM 0 HB2 LEU A 114 3.421 -2.853 -8.615 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.831 -1.345 -7.821 1.00 0.00 H new ATOM 0 HG LEU A 114 1.571 -0.484 -8.798 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -0.125 -2.255 -9.036 1.00 0.00 H new ATOM 0 HD12 LEU A 114 1.150 -2.391 -10.270 1.00 0.00 H new ATOM 0 HD13 LEU A 114 1.147 -3.489 -8.869 1.00 0.00 H new ATOM 0 HD21 LEU A 114 0.388 -1.330 -6.808 1.00 0.00 H new ATOM 0 HD22 LEU A 114 1.680 -2.527 -6.554 1.00 0.00 H new ATOM 0 HD23 LEU A 114 2.037 -0.789 -6.415 1.00 0.00 H new ATOM 350 N LEU A 115 3.889 1.138 -9.533 1.00 0.00 N ATOM 351 CA LEU A 115 3.479 2.526 -9.710 1.00 0.00 C ATOM 352 C LEU A 115 4.453 3.271 -10.617 1.00 0.00 C ATOM 353 O LEU A 115 4.905 4.369 -10.292 1.00 0.00 O ATOM 354 CB LEU A 115 3.387 3.229 -8.354 1.00 0.00 C ATOM 355 CG LEU A 115 2.142 2.922 -7.522 1.00 0.00 C ATOM 356 CD1 LEU A 115 2.310 3.438 -6.101 1.00 0.00 C ATOM 357 CD2 LEU A 115 0.905 3.528 -8.169 1.00 0.00 C ATOM 0 H LEU A 115 4.615 0.999 -8.830 1.00 0.00 H new ATOM 0 HA LEU A 115 2.496 2.531 -10.182 1.00 0.00 H new ATOM 0 HB2 LEU A 115 4.266 2.961 -7.768 1.00 0.00 H new ATOM 0 HB3 LEU A 115 3.431 4.305 -8.521 1.00 0.00 H new ATOM 0 HG LEU A 115 2.013 1.840 -7.481 1.00 0.00 H new ATOM 0 HD11 LEU A 115 1.414 3.211 -5.523 1.00 0.00 H new ATOM 0 HD12 LEU A 115 3.172 2.957 -5.639 1.00 0.00 H new ATOM 0 HD13 LEU A 115 2.464 4.517 -6.122 1.00 0.00 H new ATOM 0 HD21 LEU A 115 0.028 3.299 -7.563 1.00 0.00 H new ATOM 0 HD22 LEU A 115 1.025 4.609 -8.241 1.00 0.00 H new ATOM 0 HD23 LEU A 115 0.775 3.110 -9.167 1.00 0.00 H new ATOM 369 N LYS A 116 4.772 2.667 -11.757 1.00 0.00 N ATOM 370 CA LYS A 116 5.691 3.273 -12.713 1.00 0.00 C ATOM 371 C LYS A 116 5.046 4.472 -13.402 1.00 0.00 C ATOM 372 O LYS A 116 5.696 5.492 -13.630 1.00 0.00 O ATOM 373 CB LYS A 116 6.123 2.243 -13.759 1.00 0.00 C ATOM 374 CG LYS A 116 4.976 1.711 -14.600 1.00 0.00 C ATOM 375 CD LYS A 116 5.273 0.320 -15.135 1.00 0.00 C ATOM 376 CE LYS A 116 3.998 -0.418 -15.509 1.00 0.00 C ATOM 377 NZ LYS A 116 3.088 -0.582 -14.340 1.00 0.00 N ATOM 0 H LYS A 116 4.407 1.758 -12.041 1.00 0.00 H new ATOM 0 HA LYS A 116 6.569 3.618 -12.167 1.00 0.00 H new ATOM 0 HB2 LYS A 116 6.865 2.695 -14.417 1.00 0.00 H new ATOM 0 HB3 LYS A 116 6.610 1.408 -13.255 1.00 0.00 H new ATOM 0 HG2 LYS A 116 4.066 1.684 -14.000 1.00 0.00 H new ATOM 0 HG3 LYS A 116 4.789 2.389 -15.432 1.00 0.00 H new ATOM 0 HD2 LYS A 116 5.920 0.396 -16.009 1.00 0.00 H new ATOM 0 HD3 LYS A 116 5.818 -0.251 -14.383 1.00 0.00 H new ATOM 0 HE2 LYS A 116 3.481 0.128 -16.298 1.00 0.00 H new ATOM 0 HE3 LYS A 116 4.251 -1.398 -15.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 2.496 -1.426 -14.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 3.652 -0.691 -13.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 2.479 0.257 -14.253 1.00 0.00 H new ATOM 391 N ASP A 117 3.765 4.342 -13.729 1.00 0.00 N ATOM 392 CA ASP A 117 3.032 5.416 -14.389 1.00 0.00 C ATOM 393 C ASP A 117 3.186 6.728 -13.626 1.00 0.00 C ATOM 394 O ASP A 117 3.447 7.776 -14.218 1.00 0.00 O ATOM 395 CB ASP A 117 1.551 5.053 -14.509 1.00 0.00 C ATOM 396 CG ASP A 117 1.340 3.663 -15.077 1.00 0.00 C ATOM 397 OD1 ASP A 117 1.729 3.433 -16.240 1.00 0.00 O ATOM 398 OD2 ASP A 117 0.785 2.806 -14.357 1.00 0.00 O ATOM 0 H ASP A 117 3.213 3.504 -13.548 1.00 0.00 H new ATOM 0 HA ASP A 117 3.449 5.546 -15.388 1.00 0.00 H new ATOM 0 HB2 ASP A 117 1.084 5.116 -13.526 1.00 0.00 H new ATOM 0 HB3 ASP A 117 1.052 5.783 -15.146 1.00 0.00 H new ATOM 403 N TYR A 118 3.023 6.664 -12.309 1.00 0.00 N ATOM 404 CA TYR A 118 3.141 7.847 -11.466 1.00 0.00 C ATOM 405 C TYR A 118 4.597 8.106 -11.091 1.00 0.00 C ATOM 406 O TYR A 118 5.392 7.175 -10.964 1.00 0.00 O ATOM 407 CB TYR A 118 2.298 7.682 -10.200 1.00 0.00 C ATOM 408 CG TYR A 118 0.913 7.136 -10.461 1.00 0.00 C ATOM 409 CD1 TYR A 118 0.693 5.769 -10.573 1.00 0.00 C ATOM 410 CD2 TYR A 118 -0.177 7.988 -10.598 1.00 0.00 C ATOM 411 CE1 TYR A 118 -0.571 5.265 -10.813 1.00 0.00 C ATOM 412 CE2 TYR A 118 -1.444 7.493 -10.836 1.00 0.00 C ATOM 413 CZ TYR A 118 -1.636 6.131 -10.943 1.00 0.00 C ATOM 414 OH TYR A 118 -2.897 5.635 -11.182 1.00 0.00 O ATOM 0 H TYR A 118 2.809 5.805 -11.802 1.00 0.00 H new ATOM 0 HA TYR A 118 2.773 8.703 -12.031 1.00 0.00 H new ATOM 0 HB2 TYR A 118 2.818 7.016 -9.512 1.00 0.00 H new ATOM 0 HB3 TYR A 118 2.211 8.648 -9.703 1.00 0.00 H new ATOM 0 HD1 TYR A 118 1.525 5.088 -10.471 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -0.030 9.055 -10.517 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -0.724 4.199 -10.898 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -2.280 8.169 -10.938 1.00 0.00 H new ATOM 0 HH TYR A 118 -3.534 6.377 -11.246 1.00 0.00 H new ATOM 424 N ASP A 119 4.938 9.378 -10.914 1.00 0.00 N ATOM 425 CA ASP A 119 6.297 9.762 -10.552 1.00 0.00 C ATOM 426 C ASP A 119 6.519 9.622 -9.049 1.00 0.00 C ATOM 427 O ASP A 119 5.804 10.224 -8.246 1.00 0.00 O ATOM 428 CB ASP A 119 6.578 11.200 -10.990 1.00 0.00 C ATOM 429 CG ASP A 119 7.934 11.693 -10.525 1.00 0.00 C ATOM 430 OD1 ASP A 119 8.955 11.213 -11.059 1.00 0.00 O ATOM 431 OD2 ASP A 119 7.973 12.559 -9.626 1.00 0.00 O ATOM 0 H ASP A 119 4.292 10.161 -11.015 1.00 0.00 H new ATOM 0 HA ASP A 119 6.986 9.093 -11.067 1.00 0.00 H new ATOM 0 HB2 ASP A 119 6.525 11.262 -12.077 1.00 0.00 H new ATOM 0 HB3 ASP A 119 5.802 11.855 -10.595 1.00 0.00 H new ATOM 436 N LEU A 120 7.513 8.824 -8.674 1.00 0.00 N ATOM 437 CA LEU A 120 7.829 8.604 -7.267 1.00 0.00 C ATOM 438 C LEU A 120 8.920 9.561 -6.798 1.00 0.00 C ATOM 439 O LEU A 120 9.793 9.953 -7.573 1.00 0.00 O ATOM 440 CB LEU A 120 8.273 7.157 -7.044 1.00 0.00 C ATOM 441 CG LEU A 120 7.158 6.112 -7.007 1.00 0.00 C ATOM 442 CD1 LEU A 120 6.709 5.759 -8.416 1.00 0.00 C ATOM 443 CD2 LEU A 120 7.620 4.866 -6.264 1.00 0.00 C ATOM 0 H LEU A 120 8.114 8.319 -9.325 1.00 0.00 H new ATOM 0 HA LEU A 120 6.928 8.795 -6.683 1.00 0.00 H new ATOM 0 HB2 LEU A 120 8.972 6.886 -7.836 1.00 0.00 H new ATOM 0 HB3 LEU A 120 8.822 7.107 -6.104 1.00 0.00 H new ATOM 0 HG LEU A 120 6.307 6.535 -6.473 1.00 0.00 H new ATOM 0 HD11 LEU A 120 5.915 5.014 -8.369 1.00 0.00 H new ATOM 0 HD12 LEU A 120 6.337 6.654 -8.914 1.00 0.00 H new ATOM 0 HD13 LEU A 120 7.552 5.356 -8.976 1.00 0.00 H new ATOM 0 HD21 LEU A 120 6.814 4.133 -6.247 1.00 0.00 H new ATOM 0 HD22 LEU A 120 8.487 4.441 -6.770 1.00 0.00 H new ATOM 0 HD23 LEU A 120 7.891 5.131 -5.242 1.00 0.00 H new ATOM 455 N LYS A 121 8.867 9.932 -5.524 1.00 0.00 N ATOM 456 CA LYS A 121 9.852 10.840 -4.949 1.00 0.00 C ATOM 457 C LYS A 121 10.568 10.190 -3.769 1.00 0.00 C ATOM 458 O LYS A 121 11.768 10.385 -3.575 1.00 0.00 O ATOM 459 CB LYS A 121 9.178 12.138 -4.497 1.00 0.00 C ATOM 460 CG LYS A 121 8.723 13.019 -5.647 1.00 0.00 C ATOM 461 CD LYS A 121 8.385 14.423 -5.174 1.00 0.00 C ATOM 462 CE LYS A 121 8.191 15.375 -6.345 1.00 0.00 C ATOM 463 NZ LYS A 121 9.489 15.886 -6.865 1.00 0.00 N ATOM 0 H LYS A 121 8.151 9.617 -4.869 1.00 0.00 H new ATOM 0 HA LYS A 121 10.590 11.069 -5.718 1.00 0.00 H new ATOM 0 HB2 LYS A 121 8.317 11.893 -3.875 1.00 0.00 H new ATOM 0 HB3 LYS A 121 9.873 12.700 -3.873 1.00 0.00 H new ATOM 0 HG2 LYS A 121 9.508 13.067 -6.402 1.00 0.00 H new ATOM 0 HG3 LYS A 121 7.849 12.574 -6.124 1.00 0.00 H new ATOM 0 HD2 LYS A 121 7.477 14.396 -4.571 1.00 0.00 H new ATOM 0 HD3 LYS A 121 9.183 14.793 -4.531 1.00 0.00 H new ATOM 0 HE2 LYS A 121 7.656 14.863 -7.145 1.00 0.00 H new ATOM 0 HE3 LYS A 121 7.570 16.214 -6.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 9.314 16.531 -7.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 9.989 16.397 -6.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 10.072 15.088 -7.188 1.00 0.00 H new ATOM 477 N TYR A 122 9.825 9.416 -2.986 1.00 0.00 N ATOM 478 CA TYR A 122 10.390 8.737 -1.825 1.00 0.00 C ATOM 479 C TYR A 122 9.604 7.471 -1.499 1.00 0.00 C ATOM 480 O TYR A 122 8.389 7.512 -1.306 1.00 0.00 O ATOM 481 CB TYR A 122 10.396 9.673 -0.615 1.00 0.00 C ATOM 482 CG TYR A 122 11.360 9.250 0.471 1.00 0.00 C ATOM 483 CD1 TYR A 122 10.962 8.382 1.480 1.00 0.00 C ATOM 484 CD2 TYR A 122 12.667 9.720 0.489 1.00 0.00 C ATOM 485 CE1 TYR A 122 11.839 7.994 2.475 1.00 0.00 C ATOM 486 CE2 TYR A 122 13.551 9.337 1.479 1.00 0.00 C ATOM 487 CZ TYR A 122 13.132 8.473 2.470 1.00 0.00 C ATOM 488 OH TYR A 122 14.009 8.090 3.459 1.00 0.00 O ATOM 0 H TYR A 122 8.831 9.243 -3.134 1.00 0.00 H new ATOM 0 HA TYR A 122 11.415 8.455 -2.063 1.00 0.00 H new ATOM 0 HB2 TYR A 122 10.653 10.679 -0.946 1.00 0.00 H new ATOM 0 HB3 TYR A 122 9.390 9.721 -0.198 1.00 0.00 H new ATOM 0 HD1 TYR A 122 9.950 8.004 1.487 1.00 0.00 H new ATOM 0 HD2 TYR A 122 12.998 10.397 -0.285 1.00 0.00 H new ATOM 0 HE1 TYR A 122 11.513 7.319 3.253 1.00 0.00 H new ATOM 0 HE2 TYR A 122 14.564 9.712 1.477 1.00 0.00 H new ATOM 0 HH TYR A 122 14.879 8.516 3.308 1.00 0.00 H new ATOM 498 N CYS A 123 10.308 6.345 -1.439 1.00 0.00 N ATOM 499 CA CYS A 123 9.679 5.065 -1.136 1.00 0.00 C ATOM 500 C CYS A 123 10.280 4.448 0.124 1.00 0.00 C ATOM 501 O CYS A 123 11.484 4.203 0.194 1.00 0.00 O ATOM 502 CB CYS A 123 9.839 4.103 -2.315 1.00 0.00 C ATOM 503 SG CYS A 123 9.652 2.346 -1.871 1.00 0.00 S ATOM 0 H CYS A 123 11.314 6.293 -1.596 1.00 0.00 H new ATOM 0 HA CYS A 123 8.618 5.242 -0.962 1.00 0.00 H new ATOM 0 HB2 CYS A 123 9.102 4.354 -3.078 1.00 0.00 H new ATOM 0 HB3 CYS A 123 10.823 4.252 -2.761 1.00 0.00 H new ATOM 508 N TYR A 124 9.433 4.200 1.116 1.00 0.00 N ATOM 509 CA TYR A 124 9.880 3.614 2.374 1.00 0.00 C ATOM 510 C TYR A 124 8.947 2.489 2.813 1.00 0.00 C ATOM 511 O TYR A 124 7.823 2.733 3.250 1.00 0.00 O ATOM 512 CB TYR A 124 9.951 4.686 3.463 1.00 0.00 C ATOM 513 CG TYR A 124 10.788 4.282 4.656 1.00 0.00 C ATOM 514 CD1 TYR A 124 10.406 3.225 5.472 1.00 0.00 C ATOM 515 CD2 TYR A 124 11.962 4.958 4.967 1.00 0.00 C ATOM 516 CE1 TYR A 124 11.167 2.853 6.563 1.00 0.00 C ATOM 517 CE2 TYR A 124 12.730 4.592 6.055 1.00 0.00 C ATOM 518 CZ TYR A 124 12.328 3.540 6.851 1.00 0.00 C ATOM 519 OH TYR A 124 13.090 3.172 7.936 1.00 0.00 O ATOM 0 H TYR A 124 8.433 4.396 1.074 1.00 0.00 H new ATOM 0 HA TYR A 124 10.875 3.197 2.218 1.00 0.00 H new ATOM 0 HB2 TYR A 124 10.361 5.601 3.035 1.00 0.00 H new ATOM 0 HB3 TYR A 124 8.941 4.917 3.800 1.00 0.00 H new ATOM 0 HD1 TYR A 124 9.498 2.684 5.250 1.00 0.00 H new ATOM 0 HD2 TYR A 124 12.279 5.784 4.347 1.00 0.00 H new ATOM 0 HE1 TYR A 124 10.855 2.029 7.187 1.00 0.00 H new ATOM 0 HE2 TYR A 124 13.641 5.127 6.281 1.00 0.00 H new ATOM 0 HH TYR A 124 13.875 3.756 7.998 1.00 0.00 H new ATOM 529 N VAL A 125 9.424 1.254 2.693 1.00 0.00 N ATOM 530 CA VAL A 125 8.636 0.090 3.078 1.00 0.00 C ATOM 531 C VAL A 125 8.837 -0.247 4.552 1.00 0.00 C ATOM 532 O VAL A 125 9.967 -0.388 5.018 1.00 0.00 O ATOM 533 CB VAL A 125 9.000 -1.141 2.228 1.00 0.00 C ATOM 534 CG1 VAL A 125 8.144 -2.335 2.620 1.00 0.00 C ATOM 535 CG2 VAL A 125 8.847 -0.829 0.747 1.00 0.00 C ATOM 0 H VAL A 125 10.352 1.034 2.332 1.00 0.00 H new ATOM 0 HA VAL A 125 7.590 0.345 2.905 1.00 0.00 H new ATOM 0 HB VAL A 125 10.043 -1.395 2.418 1.00 0.00 H new ATOM 0 HG11 VAL A 125 8.417 -3.195 2.008 1.00 0.00 H new ATOM 0 HG12 VAL A 125 8.309 -2.571 3.671 1.00 0.00 H new ATOM 0 HG13 VAL A 125 7.092 -2.096 2.462 1.00 0.00 H new ATOM 0 HG21 VAL A 125 9.108 -1.710 0.161 1.00 0.00 H new ATOM 0 HG22 VAL A 125 7.815 -0.548 0.539 1.00 0.00 H new ATOM 0 HG23 VAL A 125 9.508 -0.005 0.478 1.00 0.00 H new ATOM 545 N ASP A 126 7.733 -0.375 5.279 1.00 0.00 N ATOM 546 CA ASP A 126 7.787 -0.698 6.701 1.00 0.00 C ATOM 547 C ASP A 126 7.093 -2.027 6.983 1.00 0.00 C ATOM 548 O ASP A 126 5.892 -2.067 7.249 1.00 0.00 O ATOM 549 CB ASP A 126 7.136 0.416 7.523 1.00 0.00 C ATOM 550 CG ASP A 126 7.727 0.528 8.915 1.00 0.00 C ATOM 551 OD1 ASP A 126 8.238 -0.490 9.425 1.00 0.00 O ATOM 552 OD2 ASP A 126 7.676 1.634 9.494 1.00 0.00 O ATOM 0 H ASP A 126 6.790 -0.260 4.908 1.00 0.00 H new ATOM 0 HA ASP A 126 8.834 -0.787 6.989 1.00 0.00 H new ATOM 0 HB2 ASP A 126 7.257 1.366 7.002 1.00 0.00 H new ATOM 0 HB3 ASP A 126 6.065 0.229 7.600 1.00 0.00 H new ATOM 557 N ARG A 127 7.858 -3.112 6.923 1.00 0.00 N ATOM 558 CA ARG A 127 7.317 -4.443 7.170 1.00 0.00 C ATOM 559 C ARG A 127 6.690 -4.526 8.559 1.00 0.00 C ATOM 560 O ARG A 127 5.600 -5.071 8.727 1.00 0.00 O ATOM 561 CB ARG A 127 8.417 -5.497 7.032 1.00 0.00 C ATOM 562 CG ARG A 127 9.583 -5.290 7.984 1.00 0.00 C ATOM 563 CD ARG A 127 10.602 -6.413 7.870 1.00 0.00 C ATOM 564 NE ARG A 127 11.920 -6.007 8.352 1.00 0.00 N ATOM 565 CZ ARG A 127 12.937 -6.847 8.503 1.00 0.00 C ATOM 566 NH1 ARG A 127 12.790 -8.132 8.211 1.00 0.00 N ATOM 567 NH2 ARG A 127 14.106 -6.402 8.948 1.00 0.00 N ATOM 0 H ARG A 127 8.854 -3.095 6.705 1.00 0.00 H new ATOM 0 HA ARG A 127 6.542 -4.636 6.428 1.00 0.00 H new ATOM 0 HB2 ARG A 127 7.987 -6.483 7.207 1.00 0.00 H new ATOM 0 HB3 ARG A 127 8.790 -5.489 6.008 1.00 0.00 H new ATOM 0 HG2 ARG A 127 10.065 -4.337 7.768 1.00 0.00 H new ATOM 0 HG3 ARG A 127 9.213 -5.236 9.008 1.00 0.00 H new ATOM 0 HD2 ARG A 127 10.257 -7.275 8.441 1.00 0.00 H new ATOM 0 HD3 ARG A 127 10.678 -6.729 6.830 1.00 0.00 H new ATOM 0 HE ARG A 127 12.067 -5.025 8.585 1.00 0.00 H new ATOM 0 HH11 ARG A 127 11.893 -8.478 7.869 1.00 0.00 H new ATOM 0 HH12 ARG A 127 13.573 -8.774 8.328 1.00 0.00 H new ATOM 0 HH21 ARG A 127 14.223 -5.414 9.174 1.00 0.00 H new ATOM 0 HH22 ARG A 127 14.887 -7.048 9.064 1.00 0.00 H new ATOM 581 N ASN A 128 7.387 -3.980 9.551 1.00 0.00 N ATOM 582 CA ASN A 128 6.899 -3.993 10.925 1.00 0.00 C ATOM 583 C ASN A 128 5.492 -3.409 11.008 1.00 0.00 C ATOM 584 O ASN A 128 4.649 -3.896 11.763 1.00 0.00 O ATOM 585 CB ASN A 128 7.845 -3.204 11.832 1.00 0.00 C ATOM 586 CG ASN A 128 7.512 -3.372 13.301 1.00 0.00 C ATOM 587 OD1 ASN A 128 7.638 -4.463 13.858 1.00 0.00 O ATOM 588 ND2 ASN A 128 7.082 -2.288 13.938 1.00 0.00 N ATOM 0 H ASN A 128 8.291 -3.523 9.429 1.00 0.00 H new ATOM 0 HA ASN A 128 6.864 -5.029 11.262 1.00 0.00 H new ATOM 0 HB2 ASN A 128 8.870 -3.530 11.655 1.00 0.00 H new ATOM 0 HB3 ASN A 128 7.797 -2.147 11.570 1.00 0.00 H new ATOM 0 HD21 ASN A 128 6.841 -2.340 14.928 1.00 0.00 H new ATOM 0 HD22 ASN A 128 6.993 -1.404 13.437 1.00 0.00 H new ATOM 595 N LYS A 129 5.244 -2.363 10.227 1.00 0.00 N ATOM 596 CA LYS A 129 3.940 -1.713 10.210 1.00 0.00 C ATOM 597 C LYS A 129 3.221 -1.969 8.889 1.00 0.00 C ATOM 598 O LYS A 129 2.208 -1.338 8.590 1.00 0.00 O ATOM 599 CB LYS A 129 4.095 -0.207 10.434 1.00 0.00 C ATOM 600 CG LYS A 129 4.117 0.191 11.900 1.00 0.00 C ATOM 601 CD LYS A 129 3.550 1.585 12.108 1.00 0.00 C ATOM 602 CE LYS A 129 4.105 2.229 13.370 1.00 0.00 C ATOM 603 NZ LYS A 129 3.418 3.512 13.685 1.00 0.00 N ATOM 0 H LYS A 129 5.930 -1.947 9.597 1.00 0.00 H new ATOM 0 HA LYS A 129 3.341 -2.135 11.017 1.00 0.00 H new ATOM 0 HB2 LYS A 129 5.018 0.129 9.961 1.00 0.00 H new ATOM 0 HB3 LYS A 129 3.275 0.312 9.938 1.00 0.00 H new ATOM 0 HG2 LYS A 129 3.540 -0.528 12.482 1.00 0.00 H new ATOM 0 HG3 LYS A 129 5.141 0.154 12.273 1.00 0.00 H new ATOM 0 HD2 LYS A 129 3.787 2.208 11.246 1.00 0.00 H new ATOM 0 HD3 LYS A 129 2.463 1.531 12.173 1.00 0.00 H new ATOM 0 HE2 LYS A 129 3.993 1.541 14.208 1.00 0.00 H new ATOM 0 HE3 LYS A 129 5.173 2.409 13.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 3.824 3.920 14.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 3.546 4.177 12.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 2.403 3.336 13.828 1.00 0.00 H new ATOM 617 N ARG A 130 3.752 -2.900 8.103 1.00 0.00 N ATOM 618 CA ARG A 130 3.161 -3.240 6.814 1.00 0.00 C ATOM 619 C ARG A 130 2.592 -1.999 6.133 1.00 0.00 C ATOM 620 O ARG A 130 1.421 -1.968 5.752 1.00 0.00 O ATOM 621 CB ARG A 130 2.060 -4.287 6.994 1.00 0.00 C ATOM 622 CG ARG A 130 2.580 -5.714 7.045 1.00 0.00 C ATOM 623 CD ARG A 130 1.583 -6.646 7.717 1.00 0.00 C ATOM 624 NE ARG A 130 0.269 -6.591 7.083 1.00 0.00 N ATOM 625 CZ ARG A 130 -0.704 -7.461 7.331 1.00 0.00 C ATOM 626 NH1 ARG A 130 -0.511 -8.447 8.196 1.00 0.00 N ATOM 627 NH2 ARG A 130 -1.873 -7.345 6.714 1.00 0.00 N ATOM 0 H ARG A 130 4.590 -3.432 8.336 1.00 0.00 H new ATOM 0 HA ARG A 130 3.946 -3.653 6.180 1.00 0.00 H new ATOM 0 HB2 ARG A 130 1.515 -4.075 7.914 1.00 0.00 H new ATOM 0 HB3 ARG A 130 1.348 -4.198 6.174 1.00 0.00 H new ATOM 0 HG2 ARG A 130 2.783 -6.065 6.033 1.00 0.00 H new ATOM 0 HG3 ARG A 130 3.525 -5.739 7.587 1.00 0.00 H new ATOM 0 HD2 ARG A 130 1.961 -7.668 7.680 1.00 0.00 H new ATOM 0 HD3 ARG A 130 1.489 -6.378 8.769 1.00 0.00 H new ATOM 0 HE ARG A 130 0.088 -5.844 6.413 1.00 0.00 H new ATOM 0 HH11 ARG A 130 0.386 -8.539 8.673 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -1.260 -9.114 8.385 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -2.025 -6.587 6.048 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -2.619 -8.014 6.905 1.00 0.00 H new ATOM 641 N THR A 131 3.428 -0.976 5.983 1.00 0.00 N ATOM 642 CA THR A 131 3.008 0.268 5.350 1.00 0.00 C ATOM 643 C THR A 131 4.147 0.890 4.552 1.00 0.00 C ATOM 644 O THR A 131 5.218 1.166 5.092 1.00 0.00 O ATOM 645 CB THR A 131 2.509 1.287 6.391 1.00 0.00 C ATOM 646 OG1 THR A 131 1.364 0.767 7.077 1.00 0.00 O ATOM 647 CG2 THR A 131 2.151 2.608 5.727 1.00 0.00 C ATOM 0 H THR A 131 4.400 -0.985 6.291 1.00 0.00 H new ATOM 0 HA THR A 131 2.189 0.019 4.675 1.00 0.00 H new ATOM 0 HB THR A 131 3.312 1.464 7.107 1.00 0.00 H new ATOM 0 HG1 THR A 131 1.645 0.057 7.691 1.00 0.00 H new ATOM 0 HG21 THR A 131 1.801 3.312 6.482 1.00 0.00 H new ATOM 0 HG22 THR A 131 3.031 3.016 5.231 1.00 0.00 H new ATOM 0 HG23 THR A 131 1.363 2.444 4.992 1.00 0.00 H new ATOM 655 N ALA A 132 3.909 1.109 3.262 1.00 0.00 N ATOM 656 CA ALA A 132 4.915 1.702 2.390 1.00 0.00 C ATOM 657 C ALA A 132 4.572 3.150 2.061 1.00 0.00 C ATOM 658 O ALA A 132 3.517 3.435 1.492 1.00 0.00 O ATOM 659 CB ALA A 132 5.053 0.886 1.113 1.00 0.00 C ATOM 0 H ALA A 132 3.028 0.884 2.799 1.00 0.00 H new ATOM 0 HA ALA A 132 5.868 1.694 2.918 1.00 0.00 H new ATOM 0 HB1 ALA A 132 5.808 1.340 0.471 1.00 0.00 H new ATOM 0 HB2 ALA A 132 5.353 -0.132 1.362 1.00 0.00 H new ATOM 0 HB3 ALA A 132 4.097 0.864 0.590 1.00 0.00 H new ATOM 665 N PHE A 133 5.467 4.063 2.422 1.00 0.00 N ATOM 666 CA PHE A 133 5.257 5.483 2.166 1.00 0.00 C ATOM 667 C PHE A 133 5.741 5.861 0.769 1.00 0.00 C ATOM 668 O PHE A 133 6.934 5.791 0.473 1.00 0.00 O ATOM 669 CB PHE A 133 5.986 6.325 3.216 1.00 0.00 C ATOM 670 CG PHE A 133 5.627 5.964 4.628 1.00 0.00 C ATOM 671 CD1 PHE A 133 6.257 4.910 5.270 1.00 0.00 C ATOM 672 CD2 PHE A 133 4.659 6.679 5.316 1.00 0.00 C ATOM 673 CE1 PHE A 133 5.928 4.576 6.570 1.00 0.00 C ATOM 674 CE2 PHE A 133 4.325 6.350 6.616 1.00 0.00 C ATOM 675 CZ PHE A 133 4.962 5.297 7.244 1.00 0.00 C ATOM 0 H PHE A 133 6.345 3.845 2.893 1.00 0.00 H new ATOM 0 HA PHE A 133 4.187 5.684 2.227 1.00 0.00 H new ATOM 0 HB2 PHE A 133 7.061 6.208 3.082 1.00 0.00 H new ATOM 0 HB3 PHE A 133 5.757 7.378 3.049 1.00 0.00 H new ATOM 0 HD1 PHE A 133 7.014 4.343 4.748 1.00 0.00 H new ATOM 0 HD2 PHE A 133 4.159 7.504 4.830 1.00 0.00 H new ATOM 0 HE1 PHE A 133 6.426 3.752 7.059 1.00 0.00 H new ATOM 0 HE2 PHE A 133 3.568 6.915 7.140 1.00 0.00 H new ATOM 0 HZ PHE A 133 4.705 5.038 8.260 1.00 0.00 H new ATOM 685 N VAL A 134 4.806 6.262 -0.086 1.00 0.00 N ATOM 686 CA VAL A 134 5.135 6.652 -1.452 1.00 0.00 C ATOM 687 C VAL A 134 4.726 8.095 -1.725 1.00 0.00 C ATOM 688 O VAL A 134 3.539 8.409 -1.817 1.00 0.00 O ATOM 689 CB VAL A 134 4.449 5.732 -2.479 1.00 0.00 C ATOM 690 CG1 VAL A 134 4.779 6.174 -3.897 1.00 0.00 C ATOM 691 CG2 VAL A 134 4.859 4.284 -2.255 1.00 0.00 C ATOM 0 H VAL A 134 3.814 6.325 0.143 1.00 0.00 H new ATOM 0 HA VAL A 134 6.216 6.558 -1.557 1.00 0.00 H new ATOM 0 HB VAL A 134 3.370 5.806 -2.343 1.00 0.00 H new ATOM 0 HG11 VAL A 134 4.285 5.512 -4.609 1.00 0.00 H new ATOM 0 HG12 VAL A 134 4.431 7.196 -4.050 1.00 0.00 H new ATOM 0 HG13 VAL A 134 5.857 6.131 -4.050 1.00 0.00 H new ATOM 0 HG21 VAL A 134 4.365 3.648 -2.990 1.00 0.00 H new ATOM 0 HG22 VAL A 134 5.940 4.191 -2.363 1.00 0.00 H new ATOM 0 HG23 VAL A 134 4.567 3.974 -1.252 1.00 0.00 H new ATOM 701 N THR A 135 5.717 8.971 -1.855 1.00 0.00 N ATOM 702 CA THR A 135 5.461 10.382 -2.118 1.00 0.00 C ATOM 703 C THR A 135 5.317 10.645 -3.612 1.00 0.00 C ATOM 704 O THR A 135 6.299 10.620 -4.355 1.00 0.00 O ATOM 705 CB THR A 135 6.588 11.271 -1.557 1.00 0.00 C ATOM 706 OG1 THR A 135 6.696 11.090 -0.141 1.00 0.00 O ATOM 707 CG2 THR A 135 6.325 12.737 -1.868 1.00 0.00 C ATOM 0 H THR A 135 6.705 8.728 -1.782 1.00 0.00 H new ATOM 0 HA THR A 135 4.526 10.633 -1.616 1.00 0.00 H new ATOM 0 HB THR A 135 7.524 10.977 -2.032 1.00 0.00 H new ATOM 0 HG1 THR A 135 7.415 11.657 0.207 1.00 0.00 H new ATOM 0 HG21 THR A 135 7.133 13.346 -1.463 1.00 0.00 H new ATOM 0 HG22 THR A 135 6.273 12.876 -2.948 1.00 0.00 H new ATOM 0 HG23 THR A 135 5.380 13.041 -1.417 1.00 0.00 H new ATOM 715 N LEU A 136 4.088 10.900 -4.047 1.00 0.00 N ATOM 716 CA LEU A 136 3.815 11.170 -5.454 1.00 0.00 C ATOM 717 C LEU A 136 4.290 12.566 -5.843 1.00 0.00 C ATOM 718 O LEU A 136 4.698 13.355 -4.990 1.00 0.00 O ATOM 719 CB LEU A 136 2.318 11.031 -5.740 1.00 0.00 C ATOM 720 CG LEU A 136 1.743 9.618 -5.631 1.00 0.00 C ATOM 721 CD1 LEU A 136 0.234 9.640 -5.818 1.00 0.00 C ATOM 722 CD2 LEU A 136 2.395 8.697 -6.652 1.00 0.00 C ATOM 0 H LEU A 136 3.265 10.925 -3.445 1.00 0.00 H new ATOM 0 HA LEU A 136 4.362 10.440 -6.051 1.00 0.00 H new ATOM 0 HB2 LEU A 136 1.775 11.677 -5.050 1.00 0.00 H new ATOM 0 HB3 LEU A 136 2.124 11.404 -6.746 1.00 0.00 H new ATOM 0 HG LEU A 136 1.960 9.234 -4.634 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -0.157 8.626 -5.737 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -0.219 10.266 -5.049 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -0.005 10.044 -6.802 1.00 0.00 H new ATOM 0 HD21 LEU A 136 1.974 7.696 -6.560 1.00 0.00 H new ATOM 0 HD22 LEU A 136 2.210 9.078 -7.656 1.00 0.00 H new ATOM 0 HD23 LEU A 136 3.469 8.657 -6.472 1.00 0.00 H new ATOM 734 N LEU A 137 4.232 12.867 -7.136 1.00 0.00 N ATOM 735 CA LEU A 137 4.655 14.169 -7.638 1.00 0.00 C ATOM 736 C LEU A 137 3.653 15.253 -7.253 1.00 0.00 C ATOM 737 O LEU A 137 3.961 16.145 -6.465 1.00 0.00 O ATOM 738 CB LEU A 137 4.814 14.124 -9.159 1.00 0.00 C ATOM 739 CG LEU A 137 4.995 15.473 -9.856 1.00 0.00 C ATOM 740 CD1 LEU A 137 6.453 15.904 -9.814 1.00 0.00 C ATOM 741 CD2 LEU A 137 4.499 15.402 -11.292 1.00 0.00 C ATOM 0 H LEU A 137 3.896 12.227 -7.855 1.00 0.00 H new ATOM 0 HA LEU A 137 5.616 14.411 -7.185 1.00 0.00 H new ATOM 0 HB2 LEU A 137 5.674 13.497 -9.396 1.00 0.00 H new ATOM 0 HB3 LEU A 137 3.937 13.634 -9.581 1.00 0.00 H new ATOM 0 HG LEU A 137 4.402 16.217 -9.325 1.00 0.00 H new ATOM 0 HD11 LEU A 137 6.563 16.866 -10.315 1.00 0.00 H new ATOM 0 HD12 LEU A 137 6.776 15.996 -8.777 1.00 0.00 H new ATOM 0 HD13 LEU A 137 7.067 15.159 -10.320 1.00 0.00 H new ATOM 0 HD21 LEU A 137 4.636 16.371 -11.772 1.00 0.00 H new ATOM 0 HD22 LEU A 137 5.064 14.645 -11.835 1.00 0.00 H new ATOM 0 HD23 LEU A 137 3.441 15.140 -11.299 1.00 0.00 H new ATOM 753 N ASN A 138 2.450 15.166 -7.813 1.00 0.00 N ATOM 754 CA ASN A 138 1.402 16.138 -7.527 1.00 0.00 C ATOM 755 C ASN A 138 0.238 15.482 -6.791 1.00 0.00 C ATOM 756 O ASN A 138 0.128 14.257 -6.747 1.00 0.00 O ATOM 757 CB ASN A 138 0.903 16.778 -8.824 1.00 0.00 C ATOM 758 CG ASN A 138 1.685 18.026 -9.190 1.00 0.00 C ATOM 759 OD1 ASN A 138 2.643 17.878 -10.097 1.00 0.00 O flip ATOM 760 ND2 ASN A 138 1.429 19.109 -8.664 1.00 0.00 N flip ATOM 0 H ASN A 138 2.178 14.432 -8.467 1.00 0.00 H new ATOM 0 HA ASN A 138 1.824 16.912 -6.886 1.00 0.00 H new ATOM 0 HB2 ASN A 138 0.978 16.054 -9.636 1.00 0.00 H new ATOM 0 HB3 ASN A 138 -0.152 17.031 -8.719 1.00 0.00 H new ATOM 0 HD21 ASN A 138 0.683 19.176 -7.971 1.00 0.00 H new ATOM 0 HD22 ASN A 138 1.962 19.940 -8.921 1.00 0.00 H new ATOM 767 N GLY A 139 -0.631 16.306 -6.214 1.00 0.00 N ATOM 768 CA GLY A 139 -1.776 15.788 -5.488 1.00 0.00 C ATOM 769 C GLY A 139 -2.752 15.058 -6.389 1.00 0.00 C ATOM 770 O GLY A 139 -3.046 13.883 -6.172 1.00 0.00 O ATOM 0 H GLY A 139 -0.563 17.323 -6.236 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -1.431 15.111 -4.707 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -2.290 16.611 -4.992 1.00 0.00 H new ATOM 774 N GLU A 140 -3.256 15.756 -7.402 1.00 0.00 N ATOM 775 CA GLU A 140 -4.206 15.166 -8.337 1.00 0.00 C ATOM 776 C GLU A 140 -3.883 13.696 -8.587 1.00 0.00 C ATOM 777 O GLU A 140 -4.757 12.834 -8.499 1.00 0.00 O ATOM 778 CB GLU A 140 -4.197 15.934 -9.660 1.00 0.00 C ATOM 779 CG GLU A 140 -5.240 15.448 -10.653 1.00 0.00 C ATOM 780 CD GLU A 140 -4.730 14.324 -11.533 1.00 0.00 C ATOM 781 OE1 GLU A 140 -3.610 14.452 -12.070 1.00 0.00 O ATOM 782 OE2 GLU A 140 -5.451 13.315 -11.683 1.00 0.00 O ATOM 0 H GLU A 140 -3.022 16.730 -7.596 1.00 0.00 H new ATOM 0 HA GLU A 140 -5.200 15.231 -7.894 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -4.365 16.992 -9.458 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -3.209 15.849 -10.113 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -6.122 15.108 -10.110 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -5.554 16.282 -11.281 1.00 0.00 H new ATOM 789 N GLN A 141 -2.621 13.419 -8.900 1.00 0.00 N ATOM 790 CA GLN A 141 -2.182 12.054 -9.164 1.00 0.00 C ATOM 791 C GLN A 141 -2.587 11.122 -8.027 1.00 0.00 C ATOM 792 O GLN A 141 -3.076 10.017 -8.261 1.00 0.00 O ATOM 793 CB GLN A 141 -0.665 12.011 -9.357 1.00 0.00 C ATOM 794 CG GLN A 141 -0.229 12.237 -10.796 1.00 0.00 C ATOM 795 CD GLN A 141 1.192 11.774 -11.054 1.00 0.00 C ATOM 796 OE1 GLN A 141 1.594 10.695 -10.619 1.00 0.00 O ATOM 797 NE2 GLN A 141 1.960 12.591 -11.765 1.00 0.00 N ATOM 0 H GLN A 141 -1.885 14.121 -8.977 1.00 0.00 H new ATOM 0 HA GLN A 141 -2.668 11.715 -10.079 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -0.205 12.769 -8.723 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -0.291 11.044 -9.020 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -0.907 11.707 -11.465 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -0.311 13.297 -11.034 1.00 0.00 H new ATOM 0 HE21 GLN A 141 1.585 13.476 -12.106 1.00 0.00 H new ATOM 0 HE22 GLN A 141 2.925 12.333 -11.971 1.00 0.00 H new ATOM 806 N ALA A 142 -2.381 11.575 -6.794 1.00 0.00 N ATOM 807 CA ALA A 142 -2.727 10.782 -5.621 1.00 0.00 C ATOM 808 C ALA A 142 -4.235 10.588 -5.515 1.00 0.00 C ATOM 809 O ALA A 142 -4.726 9.460 -5.521 1.00 0.00 O ATOM 810 CB ALA A 142 -2.188 11.443 -4.361 1.00 0.00 C ATOM 0 H ALA A 142 -1.976 12.487 -6.582 1.00 0.00 H new ATOM 0 HA ALA A 142 -2.268 9.799 -5.728 1.00 0.00 H new ATOM 0 HB1 ALA A 142 -2.453 10.841 -3.492 1.00 0.00 H new ATOM 0 HB2 ALA A 142 -1.103 11.524 -4.428 1.00 0.00 H new ATOM 0 HB3 ALA A 142 -2.621 12.438 -4.258 1.00 0.00 H new ATOM 816 N GLN A 143 -4.965 11.695 -5.417 1.00 0.00 N ATOM 817 CA GLN A 143 -6.418 11.645 -5.308 1.00 0.00 C ATOM 818 C GLN A 143 -6.987 10.498 -6.137 1.00 0.00 C ATOM 819 O GLN A 143 -7.997 9.898 -5.773 1.00 0.00 O ATOM 820 CB GLN A 143 -7.031 12.971 -5.761 1.00 0.00 C ATOM 821 CG GLN A 143 -6.894 14.086 -4.737 1.00 0.00 C ATOM 822 CD GLN A 143 -5.470 14.259 -4.249 1.00 0.00 C ATOM 823 OE1 GLN A 143 -4.720 15.087 -4.766 1.00 0.00 O ATOM 824 NE2 GLN A 143 -5.088 13.476 -3.246 1.00 0.00 N ATOM 0 H GLN A 143 -4.574 12.637 -5.411 1.00 0.00 H new ATOM 0 HA GLN A 143 -6.673 11.474 -4.262 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -6.555 13.283 -6.691 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -8.088 12.817 -5.979 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -7.240 15.022 -5.176 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -7.542 13.875 -3.887 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -5.742 12.803 -2.847 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -4.141 13.548 -2.875 1.00 0.00 H new ATOM 833 N ASN A 144 -6.330 10.199 -7.253 1.00 0.00 N ATOM 834 CA ASN A 144 -6.772 9.125 -8.135 1.00 0.00 C ATOM 835 C ASN A 144 -6.023 7.830 -7.832 1.00 0.00 C ATOM 836 O ASN A 144 -6.623 6.833 -7.433 1.00 0.00 O ATOM 837 CB ASN A 144 -6.561 9.519 -9.598 1.00 0.00 C ATOM 838 CG ASN A 144 -7.388 10.725 -9.998 1.00 0.00 C ATOM 839 OD1 ASN A 144 -8.334 10.612 -10.777 1.00 0.00 O ATOM 840 ND2 ASN A 144 -7.034 11.888 -9.463 1.00 0.00 N ATOM 0 H ASN A 144 -5.490 10.685 -7.568 1.00 0.00 H new ATOM 0 HA ASN A 144 -7.835 8.959 -7.960 1.00 0.00 H new ATOM 0 HB2 ASN A 144 -5.506 9.734 -9.765 1.00 0.00 H new ATOM 0 HB3 ASN A 144 -6.819 8.676 -10.239 1.00 0.00 H new ATOM 0 HD21 ASN A 144 -7.554 12.735 -9.694 1.00 0.00 H new ATOM 0 HD22 ASN A 144 -6.242 11.934 -8.822 1.00 0.00 H new ATOM 847 N ALA A 145 -4.708 7.855 -8.024 1.00 0.00 N ATOM 848 CA ALA A 145 -3.877 6.685 -7.769 1.00 0.00 C ATOM 849 C ALA A 145 -4.363 5.924 -6.540 1.00 0.00 C ATOM 850 O ALA A 145 -4.191 4.708 -6.444 1.00 0.00 O ATOM 851 CB ALA A 145 -2.423 7.099 -7.595 1.00 0.00 C ATOM 0 H ALA A 145 -4.196 8.672 -8.355 1.00 0.00 H new ATOM 0 HA ALA A 145 -3.954 6.020 -8.629 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -1.813 6.216 -7.405 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -2.074 7.593 -8.502 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -2.339 7.786 -6.753 1.00 0.00 H new ATOM 857 N ILE A 146 -4.968 6.646 -5.604 1.00 0.00 N ATOM 858 CA ILE A 146 -5.479 6.038 -4.382 1.00 0.00 C ATOM 859 C ILE A 146 -6.578 5.026 -4.689 1.00 0.00 C ATOM 860 O ILE A 146 -6.360 3.817 -4.614 1.00 0.00 O ATOM 861 CB ILE A 146 -6.030 7.099 -3.412 1.00 0.00 C ATOM 862 CG1 ILE A 146 -4.899 7.999 -2.909 1.00 0.00 C ATOM 863 CG2 ILE A 146 -6.743 6.432 -2.245 1.00 0.00 C ATOM 864 CD1 ILE A 146 -5.383 9.301 -2.312 1.00 0.00 C ATOM 0 H ILE A 146 -5.117 7.653 -5.668 1.00 0.00 H new ATOM 0 HA ILE A 146 -4.640 5.527 -3.910 1.00 0.00 H new ATOM 0 HB ILE A 146 -6.751 7.718 -3.946 1.00 0.00 H new ATOM 0 HG12 ILE A 146 -4.321 7.458 -2.160 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -4.224 8.217 -3.736 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -7.127 7.196 -1.568 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -7.571 5.831 -2.620 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -6.043 5.791 -1.709 1.00 0.00 H new ATOM 0 HD11 ILE A 146 -4.528 9.888 -1.977 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -5.936 9.863 -3.065 1.00 0.00 H new ATOM 0 HD13 ILE A 146 -6.035 9.092 -1.464 1.00 0.00 H new ATOM 876 N GLN A 147 -7.758 5.530 -5.036 1.00 0.00 N ATOM 877 CA GLN A 147 -8.891 4.670 -5.356 1.00 0.00 C ATOM 878 C GLN A 147 -8.595 3.813 -6.583 1.00 0.00 C ATOM 879 O GLN A 147 -8.951 2.636 -6.630 1.00 0.00 O ATOM 880 CB GLN A 147 -10.145 5.511 -5.598 1.00 0.00 C ATOM 881 CG GLN A 147 -10.620 6.263 -4.365 1.00 0.00 C ATOM 882 CD GLN A 147 -11.554 5.438 -3.502 1.00 0.00 C ATOM 883 OE1 GLN A 147 -11.362 4.233 -3.337 1.00 0.00 O ATOM 884 NE2 GLN A 147 -12.571 6.084 -2.945 1.00 0.00 N ATOM 0 H GLN A 147 -7.954 6.529 -5.103 1.00 0.00 H new ATOM 0 HA GLN A 147 -9.064 4.009 -4.507 1.00 0.00 H new ATOM 0 HB2 GLN A 147 -9.944 6.227 -6.395 1.00 0.00 H new ATOM 0 HB3 GLN A 147 -10.947 4.861 -5.948 1.00 0.00 H new ATOM 0 HG2 GLN A 147 -9.756 6.565 -3.773 1.00 0.00 H new ATOM 0 HG3 GLN A 147 -11.129 7.176 -4.675 1.00 0.00 H new ATOM 0 HE21 GLN A 147 -12.692 7.083 -3.109 1.00 0.00 H new ATOM 0 HE22 GLN A 147 -13.232 5.581 -2.353 1.00 0.00 H new ATOM 893 N MET A 148 -7.942 4.412 -7.573 1.00 0.00 N ATOM 894 CA MET A 148 -7.597 3.703 -8.800 1.00 0.00 C ATOM 895 C MET A 148 -6.879 2.394 -8.488 1.00 0.00 C ATOM 896 O MET A 148 -7.107 1.378 -9.144 1.00 0.00 O ATOM 897 CB MET A 148 -6.718 4.581 -9.692 1.00 0.00 C ATOM 898 CG MET A 148 -7.459 5.756 -10.309 1.00 0.00 C ATOM 899 SD MET A 148 -8.921 5.247 -11.233 1.00 0.00 S ATOM 900 CE MET A 148 -10.216 5.627 -10.055 1.00 0.00 C ATOM 0 H MET A 148 -7.641 5.386 -7.550 1.00 0.00 H new ATOM 0 HA MET A 148 -8.522 3.472 -9.329 1.00 0.00 H new ATOM 0 HB2 MET A 148 -5.881 4.958 -9.105 1.00 0.00 H new ATOM 0 HB3 MET A 148 -6.297 3.968 -10.489 1.00 0.00 H new ATOM 0 HG2 MET A 148 -7.755 6.448 -9.521 1.00 0.00 H new ATOM 0 HG3 MET A 148 -6.785 6.298 -10.973 1.00 0.00 H new ATOM 0 HE1 MET A 148 -11.019 4.896 -10.148 1.00 0.00 H new ATOM 0 HE2 MET A 148 -9.810 5.593 -9.044 1.00 0.00 H new ATOM 0 HE3 MET A 148 -10.609 6.624 -10.255 1.00 0.00 H new ATOM 910 N PHE A 149 -6.010 2.426 -7.483 1.00 0.00 N ATOM 911 CA PHE A 149 -5.257 1.242 -7.085 1.00 0.00 C ATOM 912 C PHE A 149 -5.866 0.603 -5.841 1.00 0.00 C ATOM 913 O PHE A 149 -5.578 -0.549 -5.516 1.00 0.00 O ATOM 914 CB PHE A 149 -3.795 1.607 -6.821 1.00 0.00 C ATOM 915 CG PHE A 149 -2.972 1.730 -8.072 1.00 0.00 C ATOM 916 CD1 PHE A 149 -3.392 2.538 -9.116 1.00 0.00 C ATOM 917 CD2 PHE A 149 -1.780 1.037 -8.204 1.00 0.00 C ATOM 918 CE1 PHE A 149 -2.638 2.654 -10.268 1.00 0.00 C ATOM 919 CE2 PHE A 149 -1.021 1.149 -9.354 1.00 0.00 C ATOM 920 CZ PHE A 149 -1.451 1.958 -10.388 1.00 0.00 C ATOM 0 H PHE A 149 -5.810 3.259 -6.929 1.00 0.00 H new ATOM 0 HA PHE A 149 -5.303 0.521 -7.901 1.00 0.00 H new ATOM 0 HB2 PHE A 149 -3.757 2.551 -6.277 1.00 0.00 H new ATOM 0 HB3 PHE A 149 -3.350 0.849 -6.176 1.00 0.00 H new ATOM 0 HD1 PHE A 149 -4.320 3.084 -9.028 1.00 0.00 H new ATOM 0 HD2 PHE A 149 -1.440 0.402 -7.399 1.00 0.00 H new ATOM 0 HE1 PHE A 149 -2.976 3.288 -11.074 1.00 0.00 H new ATOM 0 HE2 PHE A 149 -0.093 0.605 -9.444 1.00 0.00 H new ATOM 0 HZ PHE A 149 -0.860 2.046 -11.288 1.00 0.00 H new ATOM 930 N HIS A 150 -6.711 1.360 -5.147 1.00 0.00 N ATOM 931 CA HIS A 150 -7.362 0.869 -3.938 1.00 0.00 C ATOM 932 C HIS A 150 -8.008 -0.491 -4.183 1.00 0.00 C ATOM 933 O HIS A 150 -8.704 -0.686 -5.179 1.00 0.00 O ATOM 934 CB HIS A 150 -8.414 1.868 -3.458 1.00 0.00 C ATOM 935 CG HIS A 150 -9.137 1.429 -2.222 1.00 0.00 C ATOM 936 ND1 HIS A 150 -10.414 1.634 -1.823 1.00 0.00 N flip ATOM 937 CD2 HIS A 150 -8.541 0.685 -1.225 1.00 0.00 C flip ATOM 938 CE1 HIS A 150 -10.565 1.016 -0.606 1.00 0.00 C flip ATOM 939 NE2 HIS A 150 -9.420 0.451 -0.268 1.00 0.00 N flip ATOM 0 H HIS A 150 -6.961 2.316 -5.402 1.00 0.00 H new ATOM 0 HA HIS A 150 -6.601 0.756 -3.166 1.00 0.00 H new ATOM 0 HB2 HIS A 150 -7.932 2.827 -3.266 1.00 0.00 H new ATOM 0 HB3 HIS A 150 -9.140 2.030 -4.255 1.00 0.00 H new ATOM 0 HD1 HIS A 150 -11.131 2.151 -2.332 1.00 0.00 H new ATOM 0 HD2 HIS A 150 -7.515 0.347 -1.227 1.00 0.00 H new ATOM 0 HE1 HIS A 150 -11.472 0.995 -0.021 1.00 0.00 H new ATOM 948 N GLN A 151 -7.772 -1.427 -3.270 1.00 0.00 N ATOM 949 CA GLN A 151 -8.331 -2.769 -3.389 1.00 0.00 C ATOM 950 C GLN A 151 -7.818 -3.462 -4.646 1.00 0.00 C ATOM 951 O GLN A 151 -8.565 -4.163 -5.330 1.00 0.00 O ATOM 952 CB GLN A 151 -9.859 -2.707 -3.414 1.00 0.00 C ATOM 953 CG GLN A 151 -10.489 -2.663 -2.031 1.00 0.00 C ATOM 954 CD GLN A 151 -11.972 -2.977 -2.055 1.00 0.00 C ATOM 955 OE1 GLN A 151 -12.491 -3.505 -3.039 1.00 0.00 O ATOM 956 NE2 GLN A 151 -12.664 -2.652 -0.969 1.00 0.00 N ATOM 0 H GLN A 151 -7.198 -1.281 -2.440 1.00 0.00 H new ATOM 0 HA GLN A 151 -8.012 -3.347 -2.522 1.00 0.00 H new ATOM 0 HB2 GLN A 151 -10.169 -1.825 -3.974 1.00 0.00 H new ATOM 0 HB3 GLN A 151 -10.241 -3.576 -3.951 1.00 0.00 H new ATOM 0 HG2 GLN A 151 -9.981 -3.376 -1.382 1.00 0.00 H new ATOM 0 HG3 GLN A 151 -10.338 -1.674 -1.598 1.00 0.00 H new ATOM 0 HE21 GLN A 151 -12.193 -2.216 -0.176 1.00 0.00 H new ATOM 0 HE22 GLN A 151 -13.666 -2.839 -0.928 1.00 0.00 H new ATOM 965 N TYR A 152 -6.539 -3.262 -4.946 1.00 0.00 N ATOM 966 CA TYR A 152 -5.927 -3.867 -6.123 1.00 0.00 C ATOM 967 C TYR A 152 -5.346 -5.238 -5.792 1.00 0.00 C ATOM 968 O TYR A 152 -5.048 -5.535 -4.635 1.00 0.00 O ATOM 969 CB TYR A 152 -4.830 -2.956 -6.677 1.00 0.00 C ATOM 970 CG TYR A 152 -3.905 -3.647 -7.653 1.00 0.00 C ATOM 971 CD1 TYR A 152 -4.363 -4.074 -8.893 1.00 0.00 C ATOM 972 CD2 TYR A 152 -2.571 -3.873 -7.335 1.00 0.00 C ATOM 973 CE1 TYR A 152 -3.522 -4.706 -9.787 1.00 0.00 C ATOM 974 CE2 TYR A 152 -1.721 -4.503 -8.224 1.00 0.00 C ATOM 975 CZ TYR A 152 -2.202 -4.919 -9.448 1.00 0.00 C ATOM 976 OH TYR A 152 -1.360 -5.547 -10.337 1.00 0.00 O ATOM 0 H TYR A 152 -5.907 -2.686 -4.391 1.00 0.00 H new ATOM 0 HA TYR A 152 -6.702 -3.995 -6.879 1.00 0.00 H new ATOM 0 HB2 TYR A 152 -5.294 -2.102 -7.171 1.00 0.00 H new ATOM 0 HB3 TYR A 152 -4.242 -2.564 -5.847 1.00 0.00 H new ATOM 0 HD1 TYR A 152 -5.396 -3.909 -9.163 1.00 0.00 H new ATOM 0 HD2 TYR A 152 -2.192 -3.551 -6.376 1.00 0.00 H new ATOM 0 HE1 TYR A 152 -3.896 -5.032 -10.747 1.00 0.00 H new ATOM 0 HE2 TYR A 152 -0.686 -4.669 -7.962 1.00 0.00 H new ATOM 0 HH TYR A 152 -0.465 -5.618 -9.945 1.00 0.00 H new ATOM 986 N SER A 153 -5.188 -6.070 -6.817 1.00 0.00 N ATOM 987 CA SER A 153 -4.646 -7.411 -6.636 1.00 0.00 C ATOM 988 C SER A 153 -3.137 -7.362 -6.415 1.00 0.00 C ATOM 989 O SER A 153 -2.389 -6.882 -7.266 1.00 0.00 O ATOM 990 CB SER A 153 -4.967 -8.282 -7.852 1.00 0.00 C ATOM 991 OG SER A 153 -5.031 -9.652 -7.496 1.00 0.00 O ATOM 0 H SER A 153 -5.428 -5.839 -7.781 1.00 0.00 H new ATOM 0 HA SER A 153 -5.111 -7.848 -5.752 1.00 0.00 H new ATOM 0 HB2 SER A 153 -5.918 -7.971 -8.285 1.00 0.00 H new ATOM 0 HB3 SER A 153 -4.205 -8.137 -8.618 1.00 0.00 H new ATOM 0 HG SER A 153 -5.239 -10.187 -8.290 1.00 0.00 H new ATOM 997 N PHE A 154 -2.697 -7.863 -5.265 1.00 0.00 N ATOM 998 CA PHE A 154 -1.278 -7.876 -4.930 1.00 0.00 C ATOM 999 C PHE A 154 -0.954 -9.025 -3.980 1.00 0.00 C ATOM 1000 O PHE A 154 -1.338 -9.005 -2.811 1.00 0.00 O ATOM 1001 CB PHE A 154 -0.870 -6.545 -4.295 1.00 0.00 C ATOM 1002 CG PHE A 154 0.608 -6.284 -4.347 1.00 0.00 C ATOM 1003 CD1 PHE A 154 1.439 -6.724 -3.328 1.00 0.00 C ATOM 1004 CD2 PHE A 154 1.168 -5.601 -5.415 1.00 0.00 C ATOM 1005 CE1 PHE A 154 2.799 -6.485 -3.373 1.00 0.00 C ATOM 1006 CE2 PHE A 154 2.528 -5.359 -5.465 1.00 0.00 C ATOM 1007 CZ PHE A 154 3.345 -5.803 -4.443 1.00 0.00 C ATOM 0 H PHE A 154 -3.303 -8.265 -4.550 1.00 0.00 H new ATOM 0 HA PHE A 154 -0.714 -8.019 -5.852 1.00 0.00 H new ATOM 0 HB2 PHE A 154 -1.392 -5.734 -4.803 1.00 0.00 H new ATOM 0 HB3 PHE A 154 -1.197 -6.532 -3.255 1.00 0.00 H new ATOM 0 HD1 PHE A 154 1.018 -7.260 -2.490 1.00 0.00 H new ATOM 0 HD2 PHE A 154 0.534 -5.254 -6.218 1.00 0.00 H new ATOM 0 HE1 PHE A 154 3.435 -6.831 -2.572 1.00 0.00 H new ATOM 0 HE2 PHE A 154 2.951 -4.824 -6.302 1.00 0.00 H new ATOM 0 HZ PHE A 154 4.408 -5.617 -4.481 1.00 0.00 H new ATOM 1017 N ARG A 155 -0.246 -10.026 -4.492 1.00 0.00 N ATOM 1018 CA ARG A 155 0.129 -11.185 -3.691 1.00 0.00 C ATOM 1019 C ARG A 155 -1.096 -11.801 -3.021 1.00 0.00 C ATOM 1020 O ARG A 155 -0.989 -12.434 -1.971 1.00 0.00 O ATOM 1021 CB ARG A 155 1.158 -10.789 -2.632 1.00 0.00 C ATOM 1022 CG ARG A 155 2.374 -10.074 -3.200 1.00 0.00 C ATOM 1023 CD ARG A 155 3.425 -11.061 -3.683 1.00 0.00 C ATOM 1024 NE ARG A 155 3.934 -11.894 -2.597 1.00 0.00 N ATOM 1025 CZ ARG A 155 4.848 -12.843 -2.765 1.00 0.00 C ATOM 1026 NH1 ARG A 155 5.350 -13.079 -3.969 1.00 0.00 N ATOM 1027 NH2 ARG A 155 5.262 -13.559 -1.727 1.00 0.00 N ATOM 0 H ARG A 155 0.080 -10.058 -5.458 1.00 0.00 H new ATOM 0 HA ARG A 155 0.571 -11.927 -4.356 1.00 0.00 H new ATOM 0 HB2 ARG A 155 0.679 -10.144 -1.896 1.00 0.00 H new ATOM 0 HB3 ARG A 155 1.487 -11.684 -2.105 1.00 0.00 H new ATOM 0 HG2 ARG A 155 2.068 -9.433 -4.027 1.00 0.00 H new ATOM 0 HG3 ARG A 155 2.805 -9.426 -2.437 1.00 0.00 H new ATOM 0 HD2 ARG A 155 2.996 -11.697 -4.457 1.00 0.00 H new ATOM 0 HD3 ARG A 155 4.251 -10.516 -4.140 1.00 0.00 H new ATOM 0 HE ARG A 155 3.568 -11.739 -1.658 1.00 0.00 H new ATOM 0 HH11 ARG A 155 5.035 -12.531 -4.769 1.00 0.00 H new ATOM 0 HH12 ARG A 155 6.052 -13.808 -4.095 1.00 0.00 H new ATOM 0 HH21 ARG A 155 4.878 -13.381 -0.799 1.00 0.00 H new ATOM 0 HH22 ARG A 155 5.964 -14.287 -1.857 1.00 0.00 H new ATOM 1041 N GLY A 156 -2.259 -11.611 -3.635 1.00 0.00 N ATOM 1042 CA GLY A 156 -3.487 -12.153 -3.083 1.00 0.00 C ATOM 1043 C GLY A 156 -4.164 -11.195 -2.123 1.00 0.00 C ATOM 1044 O GLY A 156 -5.339 -11.359 -1.795 1.00 0.00 O ATOM 0 H GLY A 156 -2.373 -11.091 -4.505 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -4.172 -12.393 -3.896 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -3.268 -13.087 -2.565 1.00 0.00 H new ATOM 1048 N LYS A 157 -3.420 -10.192 -1.668 1.00 0.00 N ATOM 1049 CA LYS A 157 -3.954 -9.203 -0.739 1.00 0.00 C ATOM 1050 C LYS A 157 -4.496 -7.990 -1.488 1.00 0.00 C ATOM 1051 O LYS A 157 -4.088 -7.711 -2.615 1.00 0.00 O ATOM 1052 CB LYS A 157 -2.870 -8.764 0.248 1.00 0.00 C ATOM 1053 CG LYS A 157 -2.442 -9.860 1.209 1.00 0.00 C ATOM 1054 CD LYS A 157 -3.523 -10.156 2.234 1.00 0.00 C ATOM 1055 CE LYS A 157 -3.026 -11.112 3.308 1.00 0.00 C ATOM 1056 NZ LYS A 157 -4.132 -11.930 3.878 1.00 0.00 N ATOM 0 H LYS A 157 -2.445 -10.043 -1.928 1.00 0.00 H new ATOM 0 HA LYS A 157 -4.774 -9.664 -0.188 1.00 0.00 H new ATOM 0 HB2 LYS A 157 -1.999 -8.422 -0.311 1.00 0.00 H new ATOM 0 HB3 LYS A 157 -3.236 -7.912 0.821 1.00 0.00 H new ATOM 0 HG2 LYS A 157 -2.212 -10.767 0.649 1.00 0.00 H new ATOM 0 HG3 LYS A 157 -1.527 -9.560 1.720 1.00 0.00 H new ATOM 0 HD2 LYS A 157 -3.851 -9.226 2.697 1.00 0.00 H new ATOM 0 HD3 LYS A 157 -4.391 -10.587 1.735 1.00 0.00 H new ATOM 0 HE2 LYS A 157 -2.268 -11.771 2.885 1.00 0.00 H new ATOM 0 HE3 LYS A 157 -2.546 -10.545 4.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 -3.752 -12.568 4.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 -4.843 -11.303 4.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 -4.574 -12.491 3.122 1.00 0.00 H new ATOM 1070 N ASP A 158 -5.417 -7.273 -0.853 1.00 0.00 N ATOM 1071 CA ASP A 158 -6.014 -6.087 -1.459 1.00 0.00 C ATOM 1072 C ASP A 158 -5.347 -4.818 -0.938 1.00 0.00 C ATOM 1073 O ASP A 158 -5.874 -4.146 -0.050 1.00 0.00 O ATOM 1074 CB ASP A 158 -7.516 -6.044 -1.173 1.00 0.00 C ATOM 1075 CG ASP A 158 -8.318 -6.862 -2.166 1.00 0.00 C ATOM 1076 OD1 ASP A 158 -7.919 -6.919 -3.348 1.00 0.00 O ATOM 1077 OD2 ASP A 158 -9.344 -7.447 -1.760 1.00 0.00 O ATOM 0 H ASP A 158 -5.766 -7.492 0.080 1.00 0.00 H new ATOM 0 HA ASP A 158 -5.859 -6.141 -2.537 1.00 0.00 H new ATOM 0 HB2 ASP A 158 -7.702 -6.417 -0.166 1.00 0.00 H new ATOM 0 HB3 ASP A 158 -7.858 -5.009 -1.198 1.00 0.00 H new ATOM 1082 N LEU A 159 -4.186 -4.494 -1.496 1.00 0.00 N ATOM 1083 CA LEU A 159 -3.446 -3.305 -1.088 1.00 0.00 C ATOM 1084 C LEU A 159 -4.397 -2.166 -0.734 1.00 0.00 C ATOM 1085 O LEU A 159 -5.333 -1.873 -1.479 1.00 0.00 O ATOM 1086 CB LEU A 159 -2.496 -2.863 -2.202 1.00 0.00 C ATOM 1087 CG LEU A 159 -1.206 -3.673 -2.345 1.00 0.00 C ATOM 1088 CD1 LEU A 159 -0.460 -3.269 -3.606 1.00 0.00 C ATOM 1089 CD2 LEU A 159 -0.324 -3.490 -1.119 1.00 0.00 C ATOM 0 H LEU A 159 -3.737 -5.038 -2.232 1.00 0.00 H new ATOM 0 HA LEU A 159 -2.864 -3.557 -0.202 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -3.034 -2.904 -3.149 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -2.229 -1.820 -2.032 1.00 0.00 H new ATOM 0 HG LEU A 159 -1.468 -4.728 -2.425 1.00 0.00 H new ATOM 0 HD11 LEU A 159 0.455 -3.855 -3.691 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -1.091 -3.452 -4.476 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -0.209 -2.210 -3.556 1.00 0.00 H new ATOM 0 HD21 LEU A 159 0.589 -4.073 -1.237 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -0.070 -2.436 -1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -0.859 -3.830 -0.232 1.00 0.00 H new ATOM 1101 N ILE A 160 -4.151 -1.528 0.405 1.00 0.00 N ATOM 1102 CA ILE A 160 -4.983 -0.420 0.855 1.00 0.00 C ATOM 1103 C ILE A 160 -4.256 0.912 0.702 1.00 0.00 C ATOM 1104 O ILE A 160 -3.370 1.242 1.490 1.00 0.00 O ATOM 1105 CB ILE A 160 -5.407 -0.594 2.325 1.00 0.00 C ATOM 1106 CG1 ILE A 160 -6.301 -1.826 2.478 1.00 0.00 C ATOM 1107 CG2 ILE A 160 -6.124 0.652 2.821 1.00 0.00 C ATOM 1108 CD1 ILE A 160 -7.634 -1.696 1.775 1.00 0.00 C ATOM 0 H ILE A 160 -3.382 -1.760 1.033 1.00 0.00 H new ATOM 0 HA ILE A 160 -5.873 -0.420 0.226 1.00 0.00 H new ATOM 0 HB ILE A 160 -4.513 -0.740 2.931 1.00 0.00 H new ATOM 0 HG12 ILE A 160 -5.776 -2.697 2.086 1.00 0.00 H new ATOM 0 HG13 ILE A 160 -6.475 -2.009 3.538 1.00 0.00 H new ATOM 0 HG21 ILE A 160 -6.417 0.513 3.862 1.00 0.00 H new ATOM 0 HG22 ILE A 160 -5.457 1.511 2.743 1.00 0.00 H new ATOM 0 HG23 ILE A 160 -7.012 0.827 2.214 1.00 0.00 H new ATOM 0 HD11 ILE A 160 -8.215 -2.606 1.926 1.00 0.00 H new ATOM 0 HD12 ILE A 160 -8.179 -0.845 2.183 1.00 0.00 H new ATOM 0 HD13 ILE A 160 -7.469 -1.543 0.708 1.00 0.00 H new ATOM 1120 N VAL A 161 -4.638 1.675 -0.318 1.00 0.00 N ATOM 1121 CA VAL A 161 -4.025 2.973 -0.573 1.00 0.00 C ATOM 1122 C VAL A 161 -4.813 4.094 0.094 1.00 0.00 C ATOM 1123 O VAL A 161 -6.031 4.186 -0.060 1.00 0.00 O ATOM 1124 CB VAL A 161 -3.924 3.259 -2.083 1.00 0.00 C ATOM 1125 CG1 VAL A 161 -2.895 4.345 -2.354 1.00 0.00 C ATOM 1126 CG2 VAL A 161 -3.581 1.987 -2.844 1.00 0.00 C ATOM 0 H VAL A 161 -5.369 1.416 -0.981 1.00 0.00 H new ATOM 0 HA VAL A 161 -3.021 2.937 -0.150 1.00 0.00 H new ATOM 0 HB VAL A 161 -4.893 3.615 -2.433 1.00 0.00 H new ATOM 0 HG11 VAL A 161 -2.838 4.533 -3.426 1.00 0.00 H new ATOM 0 HG12 VAL A 161 -3.188 5.260 -1.840 1.00 0.00 H new ATOM 0 HG13 VAL A 161 -1.920 4.021 -1.990 1.00 0.00 H new ATOM 0 HG21 VAL A 161 -3.514 2.207 -3.909 1.00 0.00 H new ATOM 0 HG22 VAL A 161 -2.625 1.599 -2.492 1.00 0.00 H new ATOM 0 HG23 VAL A 161 -4.359 1.242 -2.676 1.00 0.00 H new ATOM 1136 N GLN A 162 -4.111 4.945 0.834 1.00 0.00 N ATOM 1137 CA GLN A 162 -4.746 6.061 1.525 1.00 0.00 C ATOM 1138 C GLN A 162 -3.880 7.314 1.447 1.00 0.00 C ATOM 1139 O GLN A 162 -2.804 7.301 0.847 1.00 0.00 O ATOM 1140 CB GLN A 162 -5.010 5.700 2.988 1.00 0.00 C ATOM 1141 CG GLN A 162 -5.882 4.467 3.162 1.00 0.00 C ATOM 1142 CD GLN A 162 -6.369 4.294 4.588 1.00 0.00 C ATOM 1143 OE1 GLN A 162 -5.695 4.690 5.539 1.00 0.00 O ATOM 1144 NE2 GLN A 162 -7.546 3.699 4.743 1.00 0.00 N ATOM 0 H GLN A 162 -3.102 4.883 0.971 1.00 0.00 H new ATOM 0 HA GLN A 162 -5.696 6.267 1.032 1.00 0.00 H new ATOM 0 HB2 GLN A 162 -4.057 5.535 3.491 1.00 0.00 H new ATOM 0 HB3 GLN A 162 -5.488 6.546 3.482 1.00 0.00 H new ATOM 0 HG2 GLN A 162 -6.741 4.537 2.495 1.00 0.00 H new ATOM 0 HG3 GLN A 162 -5.318 3.583 2.865 1.00 0.00 H new ATOM 0 HE21 GLN A 162 -8.071 3.387 3.926 1.00 0.00 H new ATOM 0 HE22 GLN A 162 -7.925 3.554 5.679 1.00 0.00 H new ATOM 1153 N LEU A 163 -4.355 8.395 2.056 1.00 0.00 N ATOM 1154 CA LEU A 163 -3.625 9.657 2.055 1.00 0.00 C ATOM 1155 C LEU A 163 -2.475 9.622 3.056 1.00 0.00 C ATOM 1156 O LEU A 163 -2.421 8.749 3.923 1.00 0.00 O ATOM 1157 CB LEU A 163 -4.568 10.816 2.385 1.00 0.00 C ATOM 1158 CG LEU A 163 -5.305 11.440 1.199 1.00 0.00 C ATOM 1159 CD1 LEU A 163 -4.340 11.716 0.056 1.00 0.00 C ATOM 1160 CD2 LEU A 163 -6.436 10.533 0.737 1.00 0.00 C ATOM 0 H LEU A 163 -5.243 8.422 2.557 1.00 0.00 H new ATOM 0 HA LEU A 163 -3.210 9.807 1.058 1.00 0.00 H new ATOM 0 HB2 LEU A 163 -5.309 10.462 3.102 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -3.992 11.597 2.881 1.00 0.00 H new ATOM 0 HG LEU A 163 -5.735 12.388 1.521 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -4.882 12.160 -0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -3.565 12.405 0.392 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -3.880 10.782 -0.266 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -6.949 10.993 -0.107 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -6.028 9.569 0.433 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -7.142 10.386 1.555 1.00 0.00 H new