USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 454 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 139 SER OG : rot 164:sc= -3.5! USER MOD Set 1.2: A 142 SER OG : rot 98:sc= 1.57 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -167:sc= -0.0369 (180deg=-0.226) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 130:sc= -1.75! USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 ASN :FLIP amide:sc= -0.407 F(o=-1.2,f=-0.41) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot -23:sc= 0.412 USER MOD Single : A 135 HIS : no HD1:sc= -1.22 K(o=-1.2,f=-4.3!) USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 145 SER OG : rot 25:sc= 0.147 USER MOD Single : A 146 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 148 GLN : amide:sc= -1.26 K(o=-1.3,f=-2.4!) USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 151 THR OG1 : rot 180:sc= -0.626 USER MOD Single : A 153 LYS NZ :NH3+ -129:sc= -7.02! (180deg=-8.33!) USER MOD Single : A 155 HIS : no HD1:sc= -0.5 K(o=-0.5,f=-1.3) USER MOD Single : A 157 GLN : amide:sc= -0.44 X(o=-0.44,f=-0.0053) USER MOD Single : A 159 ASN : amide:sc= -0.866 X(o=-0.87,f=-0.89) USER MOD ----------------------------------------------------------------- ATOM 103 N ILE A 98 13.301 1.662 -5.262 1.00 0.00 N ATOM 104 CA ILE A 98 12.010 2.070 -4.705 1.00 0.00 C ATOM 105 C ILE A 98 10.885 1.198 -5.244 1.00 0.00 C ATOM 106 O ILE A 98 10.820 0.924 -6.443 1.00 0.00 O ATOM 107 CB ILE A 98 11.665 3.543 -5.016 1.00 0.00 C ATOM 108 CG1 ILE A 98 12.114 3.906 -6.434 1.00 0.00 C ATOM 109 CG2 ILE A 98 12.264 4.486 -3.982 1.00 0.00 C ATOM 110 CD1 ILE A 98 11.973 5.375 -6.759 1.00 0.00 C ATOM 0 HA ILE A 98 12.103 1.952 -3.625 1.00 0.00 H new ATOM 0 HB ILE A 98 10.582 3.659 -4.962 1.00 0.00 H new ATOM 0 HG12 ILE A 98 13.156 3.613 -6.562 1.00 0.00 H new ATOM 0 HG13 ILE A 98 11.530 3.327 -7.150 1.00 0.00 H new ATOM 0 HG21 ILE A 98 12.001 5.514 -4.232 1.00 0.00 H new ATOM 0 HG22 ILE A 98 11.871 4.241 -2.995 1.00 0.00 H new ATOM 0 HG23 ILE A 98 13.349 4.379 -3.978 1.00 0.00 H new ATOM 0 HD11 ILE A 98 12.310 5.556 -7.780 1.00 0.00 H new ATOM 0 HD12 ILE A 98 10.928 5.670 -6.665 1.00 0.00 H new ATOM 0 HD13 ILE A 98 12.579 5.960 -6.067 1.00 0.00 H new ATOM 122 N CYS A 99 9.994 0.775 -4.356 1.00 0.00 N ATOM 123 CA CYS A 99 8.863 -0.055 -4.748 1.00 0.00 C ATOM 124 C CYS A 99 7.935 0.710 -5.688 1.00 0.00 C ATOM 125 O CYS A 99 7.637 1.882 -5.456 1.00 0.00 O ATOM 126 CB CYS A 99 8.092 -0.522 -3.514 1.00 0.00 C ATOM 127 SG CYS A 99 8.986 -1.729 -2.484 1.00 0.00 S ATOM 0 H CYS A 99 10.033 0.993 -3.360 1.00 0.00 H new ATOM 0 HA CYS A 99 9.247 -0.929 -5.274 1.00 0.00 H new ATOM 0 HB2 CYS A 99 7.846 0.347 -2.904 1.00 0.00 H new ATOM 0 HB3 CYS A 99 7.149 -0.964 -3.835 1.00 0.00 H new ATOM 132 N SER A 100 7.489 0.038 -6.749 1.00 0.00 N ATOM 133 CA SER A 100 6.597 0.650 -7.734 1.00 0.00 C ATOM 134 C SER A 100 5.529 1.505 -7.058 1.00 0.00 C ATOM 135 O SER A 100 4.874 1.066 -6.113 1.00 0.00 O ATOM 136 CB SER A 100 5.934 -0.431 -8.589 1.00 0.00 C ATOM 137 OG SER A 100 6.902 -1.195 -9.286 1.00 0.00 O ATOM 0 H SER A 100 7.731 -0.932 -6.949 1.00 0.00 H new ATOM 0 HA SER A 100 7.197 1.298 -8.373 1.00 0.00 H new ATOM 0 HB2 SER A 100 5.337 -1.086 -7.954 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.250 0.032 -9.301 1.00 0.00 H new ATOM 0 HG SER A 100 6.453 -1.880 -9.824 1.00 0.00 H new ATOM 143 N LYS A 101 5.361 2.730 -7.547 1.00 0.00 N ATOM 144 CA LYS A 101 4.375 3.650 -6.990 1.00 0.00 C ATOM 145 C LYS A 101 2.962 3.286 -7.444 1.00 0.00 C ATOM 146 O LYS A 101 2.034 4.086 -7.324 1.00 0.00 O ATOM 147 CB LYS A 101 4.702 5.094 -7.392 1.00 0.00 C ATOM 148 CG LYS A 101 4.420 5.416 -8.857 1.00 0.00 C ATOM 149 CD LYS A 101 5.297 4.611 -9.804 1.00 0.00 C ATOM 150 CE LYS A 101 6.773 4.916 -9.602 1.00 0.00 C ATOM 151 NZ LYS A 101 7.080 6.353 -9.834 1.00 0.00 N ATOM 0 H LYS A 101 5.896 3.109 -8.329 1.00 0.00 H new ATOM 0 HA LYS A 101 4.416 3.566 -5.904 1.00 0.00 H new ATOM 0 HB2 LYS A 101 4.124 5.773 -6.765 1.00 0.00 H new ATOM 0 HB3 LYS A 101 5.755 5.287 -7.186 1.00 0.00 H new ATOM 0 HG2 LYS A 101 3.372 5.214 -9.076 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.582 6.480 -9.031 1.00 0.00 H new ATOM 0 HD2 LYS A 101 5.121 3.547 -9.647 1.00 0.00 H new ATOM 0 HD3 LYS A 101 5.018 4.832 -10.834 1.00 0.00 H new ATOM 0 HE2 LYS A 101 7.065 4.642 -8.588 1.00 0.00 H new ATOM 0 HE3 LYS A 101 7.366 4.304 -10.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 8.110 6.481 -9.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 6.631 6.666 -10.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 6.714 6.918 -9.041 1.00 0.00 H new ATOM 165 N SER A 102 2.804 2.077 -7.965 1.00 0.00 N ATOM 166 CA SER A 102 1.505 1.606 -8.431 1.00 0.00 C ATOM 167 C SER A 102 0.541 1.385 -7.267 1.00 0.00 C ATOM 168 O SER A 102 -0.652 1.673 -7.370 1.00 0.00 O ATOM 169 CB SER A 102 1.667 0.308 -9.225 1.00 0.00 C ATOM 170 OG SER A 102 2.506 0.500 -10.351 1.00 0.00 O ATOM 0 H SER A 102 3.561 1.402 -8.076 1.00 0.00 H new ATOM 0 HA SER A 102 1.085 2.376 -9.078 1.00 0.00 H new ATOM 0 HB2 SER A 102 2.087 -0.465 -8.582 1.00 0.00 H new ATOM 0 HB3 SER A 102 0.689 -0.046 -9.552 1.00 0.00 H new ATOM 0 HG SER A 102 2.595 -0.344 -10.841 1.00 0.00 H new ATOM 176 N TYR A 103 1.065 0.843 -6.171 1.00 0.00 N ATOM 177 CA TYR A 103 0.259 0.540 -4.989 1.00 0.00 C ATOM 178 C TYR A 103 -0.322 1.789 -4.328 1.00 0.00 C ATOM 179 O TYR A 103 -1.530 2.008 -4.372 1.00 0.00 O ATOM 180 CB TYR A 103 1.094 -0.238 -3.974 1.00 0.00 C ATOM 181 CG TYR A 103 1.426 -1.652 -4.403 1.00 0.00 C ATOM 182 CD1 TYR A 103 1.855 -1.930 -5.697 1.00 0.00 C ATOM 183 CD2 TYR A 103 1.311 -2.710 -3.511 1.00 0.00 C ATOM 184 CE1 TYR A 103 2.159 -3.221 -6.086 1.00 0.00 C ATOM 185 CE2 TYR A 103 1.614 -4.002 -3.893 1.00 0.00 C ATOM 186 CZ TYR A 103 2.038 -4.252 -5.182 1.00 0.00 C ATOM 187 OH TYR A 103 2.341 -5.539 -5.566 1.00 0.00 O ATOM 0 H TYR A 103 2.052 0.603 -6.076 1.00 0.00 H new ATOM 0 HA TYR A 103 -0.583 -0.064 -5.328 1.00 0.00 H new ATOM 0 HB2 TYR A 103 2.023 0.303 -3.792 1.00 0.00 H new ATOM 0 HB3 TYR A 103 0.555 -0.274 -3.027 1.00 0.00 H new ATOM 0 HD1 TYR A 103 1.952 -1.124 -6.409 1.00 0.00 H new ATOM 0 HD2 TYR A 103 0.979 -2.519 -2.501 1.00 0.00 H new ATOM 0 HE1 TYR A 103 2.490 -3.420 -7.095 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.520 -4.813 -3.186 1.00 0.00 H new ATOM 0 HH TYR A 103 2.950 -5.941 -4.912 1.00 0.00 H new ATOM 197 N LEU A 104 0.531 2.595 -3.696 1.00 0.00 N ATOM 198 CA LEU A 104 0.063 3.800 -3.013 1.00 0.00 C ATOM 199 C LEU A 104 -0.891 4.600 -3.886 1.00 0.00 C ATOM 200 O LEU A 104 -0.883 4.477 -5.111 1.00 0.00 O ATOM 201 CB LEU A 104 1.234 4.678 -2.557 1.00 0.00 C ATOM 202 CG LEU A 104 2.386 4.821 -3.551 1.00 0.00 C ATOM 203 CD1 LEU A 104 1.886 5.408 -4.854 1.00 0.00 C ATOM 204 CD2 LEU A 104 3.492 5.686 -2.966 1.00 0.00 C ATOM 0 H LEU A 104 1.537 2.438 -3.643 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.481 3.473 -2.127 1.00 0.00 H new ATOM 0 HB2 LEU A 104 0.850 5.672 -2.329 1.00 0.00 H new ATOM 0 HB3 LEU A 104 1.630 4.268 -1.628 1.00 0.00 H new ATOM 0 HG LEU A 104 2.796 3.831 -3.751 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.717 5.504 -5.552 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.127 4.752 -5.281 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.453 6.391 -4.668 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.304 5.776 -3.688 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.097 6.676 -2.738 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.869 5.226 -2.052 1.00 0.00 H new ATOM 216 N THR A 105 -1.723 5.412 -3.243 1.00 0.00 N ATOM 217 CA THR A 105 -2.692 6.225 -3.956 1.00 0.00 C ATOM 218 C THR A 105 -3.714 5.336 -4.662 1.00 0.00 C ATOM 219 O THR A 105 -3.686 5.180 -5.884 1.00 0.00 O ATOM 220 CB THR A 105 -1.998 7.136 -4.986 1.00 0.00 C ATOM 221 OG1 THR A 105 -0.931 7.858 -4.359 1.00 0.00 O ATOM 222 CG2 THR A 105 -2.985 8.119 -5.585 1.00 0.00 C ATOM 0 H THR A 105 -1.743 5.522 -2.229 1.00 0.00 H new ATOM 0 HA THR A 105 -3.204 6.853 -3.226 1.00 0.00 H new ATOM 0 HB THR A 105 -1.599 6.508 -5.782 1.00 0.00 H new ATOM 0 HG1 THR A 105 -0.493 8.434 -5.020 1.00 0.00 H new ATOM 0 HG21 THR A 105 -2.473 8.752 -6.310 1.00 0.00 H new ATOM 0 HG22 THR A 105 -3.786 7.573 -6.082 1.00 0.00 H new ATOM 0 HG23 THR A 105 -3.406 8.740 -4.794 1.00 0.00 H new ATOM 230 N LEU A 106 -4.606 4.741 -3.874 1.00 0.00 N ATOM 231 CA LEU A 106 -5.633 3.848 -4.401 1.00 0.00 C ATOM 232 C LEU A 106 -6.927 4.600 -4.689 1.00 0.00 C ATOM 233 O LEU A 106 -7.372 5.418 -3.885 1.00 0.00 O ATOM 234 CB LEU A 106 -5.911 2.726 -3.397 1.00 0.00 C ATOM 235 CG LEU A 106 -7.034 1.758 -3.785 1.00 0.00 C ATOM 236 CD1 LEU A 106 -6.755 1.123 -5.140 1.00 0.00 C ATOM 237 CD2 LEU A 106 -7.206 0.689 -2.717 1.00 0.00 C ATOM 0 H LEU A 106 -4.637 4.863 -2.862 1.00 0.00 H new ATOM 0 HA LEU A 106 -5.264 3.427 -5.336 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -4.994 2.154 -3.255 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -6.158 3.175 -2.435 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.963 2.323 -3.860 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.565 0.440 -5.395 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.685 1.902 -5.899 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.815 0.572 -5.097 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -8.007 0.010 -3.008 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -6.277 0.129 -2.610 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -7.457 1.161 -1.767 1.00 0.00 H new ATOM 249 N GLU A 107 -7.535 4.308 -5.836 1.00 0.00 N ATOM 250 CA GLU A 107 -8.787 4.949 -6.218 1.00 0.00 C ATOM 251 C GLU A 107 -9.859 4.654 -5.175 1.00 0.00 C ATOM 252 O GLU A 107 -9.994 3.517 -4.720 1.00 0.00 O ATOM 253 CB GLU A 107 -9.240 4.462 -7.596 1.00 0.00 C ATOM 254 CG GLU A 107 -10.510 5.133 -8.094 1.00 0.00 C ATOM 255 CD GLU A 107 -10.912 4.667 -9.479 1.00 0.00 C ATOM 256 OE1 GLU A 107 -10.114 4.848 -10.421 1.00 0.00 O ATOM 257 OE2 GLU A 107 -12.027 4.121 -9.622 1.00 0.00 O ATOM 0 H GLU A 107 -7.181 3.633 -6.514 1.00 0.00 H new ATOM 0 HA GLU A 107 -8.628 6.026 -6.270 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -8.440 4.639 -8.315 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -9.400 3.385 -7.556 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -11.322 4.928 -7.396 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -10.365 6.213 -8.106 1.00 0.00 H new ATOM 264 N ASN A 108 -10.608 5.682 -4.787 1.00 0.00 N ATOM 265 CA ASN A 108 -11.650 5.523 -3.779 1.00 0.00 C ATOM 266 C ASN A 108 -11.048 5.009 -2.477 1.00 0.00 C ATOM 267 O ASN A 108 -11.618 4.144 -1.811 1.00 0.00 O ATOM 268 CB ASN A 108 -12.739 4.568 -4.274 1.00 0.00 C ATOM 269 CG ASN A 108 -13.503 5.127 -5.459 1.00 0.00 C ATOM 270 OD1 ASN A 108 -13.472 4.410 -6.576 1.00 0.00 O flip ATOM 271 ND2 ASN A 108 -14.116 6.190 -5.370 1.00 0.00 N flip ATOM 0 H ASN A 108 -10.513 6.629 -5.153 1.00 0.00 H new ATOM 0 HA ASN A 108 -12.105 6.497 -3.596 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -12.285 3.617 -4.554 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -13.435 4.362 -3.461 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -14.113 6.709 -4.492 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -14.627 6.553 -6.175 1.00 0.00 H new ATOM 278 N GLY A 109 -9.882 5.546 -2.128 1.00 0.00 N ATOM 279 CA GLY A 109 -9.200 5.139 -0.915 1.00 0.00 C ATOM 280 C GLY A 109 -7.926 5.928 -0.690 1.00 0.00 C ATOM 281 O GLY A 109 -7.476 6.657 -1.574 1.00 0.00 O ATOM 0 H GLY A 109 -9.396 6.261 -2.669 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -9.865 5.273 -0.062 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.964 4.076 -0.971 1.00 0.00 H new ATOM 285 N LYS A 110 -7.339 5.786 0.494 1.00 0.00 N ATOM 286 CA LYS A 110 -6.109 6.496 0.822 1.00 0.00 C ATOM 287 C LYS A 110 -5.127 5.578 1.539 1.00 0.00 C ATOM 288 O LYS A 110 -5.481 4.904 2.507 1.00 0.00 O ATOM 289 CB LYS A 110 -6.415 7.721 1.688 1.00 0.00 C ATOM 290 CG LYS A 110 -7.128 7.388 2.989 1.00 0.00 C ATOM 291 CD LYS A 110 -7.430 8.641 3.795 1.00 0.00 C ATOM 292 CE LYS A 110 -8.137 8.309 5.099 1.00 0.00 C ATOM 293 NZ LYS A 110 -8.451 9.532 5.889 1.00 0.00 N ATOM 0 H LYS A 110 -7.694 5.188 1.240 1.00 0.00 H new ATOM 0 HA LYS A 110 -5.651 6.828 -0.109 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.482 8.235 1.917 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -7.029 8.416 1.115 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -8.057 6.861 2.771 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -6.510 6.713 3.581 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -6.501 9.170 4.008 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -8.052 9.314 3.204 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -9.059 7.769 4.884 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -7.509 7.645 5.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -8.933 9.262 6.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -7.569 10.034 6.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -9.071 10.155 5.333 1.00 0.00 H new ATOM 307 N VAL A 111 -3.891 5.551 1.051 1.00 0.00 N ATOM 308 CA VAL A 111 -2.855 4.711 1.639 1.00 0.00 C ATOM 309 C VAL A 111 -1.785 5.553 2.325 1.00 0.00 C ATOM 310 O VAL A 111 -1.206 6.453 1.716 1.00 0.00 O ATOM 311 CB VAL A 111 -2.187 3.824 0.568 1.00 0.00 C ATOM 312 CG1 VAL A 111 -1.115 2.945 1.193 1.00 0.00 C ATOM 313 CG2 VAL A 111 -3.228 2.976 -0.147 1.00 0.00 C ATOM 0 H VAL A 111 -3.583 6.102 0.250 1.00 0.00 H new ATOM 0 HA VAL A 111 -3.341 4.077 2.381 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.710 4.472 -0.167 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -0.656 2.327 0.421 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.354 3.573 1.656 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -1.566 2.304 1.950 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -2.739 2.357 -0.899 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -3.735 2.337 0.576 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -3.957 3.626 -0.631 1.00 0.00 H new ATOM 323 N PHE A 112 -1.520 5.249 3.592 1.00 0.00 N ATOM 324 CA PHE A 112 -0.510 5.975 4.352 1.00 0.00 C ATOM 325 C PHE A 112 0.884 5.624 3.844 1.00 0.00 C ATOM 326 O PHE A 112 1.349 4.497 4.010 1.00 0.00 O ATOM 327 CB PHE A 112 -0.624 5.656 5.846 1.00 0.00 C ATOM 328 CG PHE A 112 -1.895 6.150 6.484 1.00 0.00 C ATOM 329 CD1 PHE A 112 -3.132 5.848 5.934 1.00 0.00 C ATOM 330 CD2 PHE A 112 -1.851 6.916 7.639 1.00 0.00 C ATOM 331 CE1 PHE A 112 -4.297 6.301 6.521 1.00 0.00 C ATOM 332 CE2 PHE A 112 -3.014 7.371 8.230 1.00 0.00 C ATOM 333 CZ PHE A 112 -4.239 7.063 7.671 1.00 0.00 C ATOM 0 H PHE A 112 -1.989 4.507 4.112 1.00 0.00 H new ATOM 0 HA PHE A 112 -0.678 7.043 4.214 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -0.557 4.577 5.982 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.226 6.096 6.367 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -3.185 5.251 5.035 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -0.897 7.160 8.082 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -5.253 6.059 6.081 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -2.965 7.967 9.129 1.00 0.00 H new ATOM 0 HZ PHE A 112 -5.149 7.417 8.132 1.00 0.00 H new ATOM 343 N LEU A 113 1.538 6.593 3.216 1.00 0.00 N ATOM 344 CA LEU A 113 2.875 6.389 2.667 1.00 0.00 C ATOM 345 C LEU A 113 3.954 6.504 3.738 1.00 0.00 C ATOM 346 O LEU A 113 3.846 7.308 4.665 1.00 0.00 O ATOM 347 CB LEU A 113 3.146 7.394 1.543 1.00 0.00 C ATOM 348 CG LEU A 113 4.551 7.333 0.937 1.00 0.00 C ATOM 349 CD1 LEU A 113 4.828 5.952 0.360 1.00 0.00 C ATOM 350 CD2 LEU A 113 4.715 8.401 -0.134 1.00 0.00 C ATOM 0 H LEU A 113 1.164 7.531 3.073 1.00 0.00 H new ATOM 0 HA LEU A 113 2.911 5.376 2.266 1.00 0.00 H new ATOM 0 HB2 LEU A 113 2.418 7.231 0.748 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.977 8.400 1.928 1.00 0.00 H new ATOM 0 HG LEU A 113 5.275 7.524 1.729 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.831 5.930 -0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 113 4.753 5.206 1.151 1.00 0.00 H new ATOM 0 HD13 LEU A 113 4.099 5.730 -0.419 1.00 0.00 H new ATOM 0 HD21 LEU A 113 5.719 8.344 -0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 113 3.981 8.240 -0.924 1.00 0.00 H new ATOM 0 HD23 LEU A 113 4.562 9.386 0.308 1.00 0.00 H new ATOM 362 N THR A 114 5.001 5.699 3.587 1.00 0.00 N ATOM 363 CA THR A 114 6.123 5.696 4.519 1.00 0.00 C ATOM 364 C THR A 114 7.336 5.030 3.869 1.00 0.00 C ATOM 365 O THR A 114 7.902 4.077 4.405 1.00 0.00 O ATOM 366 CB THR A 114 5.775 4.964 5.833 1.00 0.00 C ATOM 367 OG1 THR A 114 4.551 5.477 6.371 1.00 0.00 O ATOM 368 CG2 THR A 114 6.885 5.135 6.861 1.00 0.00 C ATOM 0 H THR A 114 5.096 5.034 2.820 1.00 0.00 H new ATOM 0 HA THR A 114 6.353 6.733 4.762 1.00 0.00 H new ATOM 0 HB THR A 114 5.663 3.903 5.609 1.00 0.00 H new ATOM 0 HG1 THR A 114 4.398 6.383 6.030 1.00 0.00 H new ATOM 0 HG21 THR A 114 6.616 4.610 7.778 1.00 0.00 H new ATOM 0 HG22 THR A 114 7.813 4.723 6.466 1.00 0.00 H new ATOM 0 HG23 THR A 114 7.021 6.195 7.076 1.00 0.00 H new ATOM 376 N GLY A 115 7.710 5.539 2.695 1.00 0.00 N ATOM 377 CA GLY A 115 8.836 4.999 1.952 1.00 0.00 C ATOM 378 C GLY A 115 9.140 5.824 0.717 1.00 0.00 C ATOM 379 O GLY A 115 9.041 5.335 -0.408 1.00 0.00 O ATOM 0 H GLY A 115 7.245 6.326 2.242 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.716 4.969 2.595 1.00 0.00 H new ATOM 0 HA3 GLY A 115 8.620 3.972 1.659 1.00 0.00 H new ATOM 383 N GLY A 116 9.478 7.090 0.936 1.00 0.00 N ATOM 384 CA GLY A 116 9.759 7.994 -0.164 1.00 0.00 C ATOM 385 C GLY A 116 10.871 7.535 -1.093 1.00 0.00 C ATOM 386 O GLY A 116 10.677 7.480 -2.308 1.00 0.00 O ATOM 0 H GLY A 116 9.563 7.508 1.862 1.00 0.00 H new ATOM 0 HA2 GLY A 116 8.848 8.129 -0.748 1.00 0.00 H new ATOM 0 HA3 GLY A 116 10.024 8.970 0.244 1.00 0.00 H new ATOM 390 N ASP A 117 12.042 7.224 -0.541 1.00 0.00 N ATOM 391 CA ASP A 117 13.172 6.794 -1.367 1.00 0.00 C ATOM 392 C ASP A 117 14.263 6.126 -0.533 1.00 0.00 C ATOM 393 O ASP A 117 15.429 6.519 -0.584 1.00 0.00 O ATOM 394 CB ASP A 117 13.756 7.990 -2.122 1.00 0.00 C ATOM 395 CG ASP A 117 14.232 9.088 -1.191 1.00 0.00 C ATOM 396 OD1 ASP A 117 13.399 9.625 -0.431 1.00 0.00 O ATOM 397 OD2 ASP A 117 15.438 9.408 -1.220 1.00 0.00 O ATOM 0 H ASP A 117 12.234 7.260 0.460 1.00 0.00 H new ATOM 0 HA ASP A 117 12.798 6.058 -2.079 1.00 0.00 H new ATOM 0 HB2 ASP A 117 14.590 7.654 -2.739 1.00 0.00 H new ATOM 0 HB3 ASP A 117 13.001 8.393 -2.798 1.00 0.00 H new ATOM 402 N LEU A 118 13.877 5.106 0.219 1.00 0.00 N ATOM 403 CA LEU A 118 14.815 4.363 1.051 1.00 0.00 C ATOM 404 C LEU A 118 15.451 3.231 0.252 1.00 0.00 C ATOM 405 O LEU A 118 14.902 2.811 -0.763 1.00 0.00 O ATOM 406 CB LEU A 118 14.109 3.796 2.289 1.00 0.00 C ATOM 407 CG LEU A 118 13.696 4.830 3.342 1.00 0.00 C ATOM 408 CD1 LEU A 118 12.641 5.776 2.790 1.00 0.00 C ATOM 409 CD2 LEU A 118 13.188 4.134 4.595 1.00 0.00 C ATOM 0 H LEU A 118 12.915 4.772 0.271 1.00 0.00 H new ATOM 0 HA LEU A 118 15.597 5.049 1.379 1.00 0.00 H new ATOM 0 HB2 LEU A 118 13.218 3.258 1.964 1.00 0.00 H new ATOM 0 HB3 LEU A 118 14.768 3.066 2.760 1.00 0.00 H new ATOM 0 HG LEU A 118 14.574 5.421 3.604 1.00 0.00 H new ATOM 0 HD11 LEU A 118 12.365 6.500 3.556 1.00 0.00 H new ATOM 0 HD12 LEU A 118 13.041 6.301 1.922 1.00 0.00 H new ATOM 0 HD13 LEU A 118 11.760 5.206 2.495 1.00 0.00 H new ATOM 0 HD21 LEU A 118 12.898 4.881 5.334 1.00 0.00 H new ATOM 0 HD22 LEU A 118 12.325 3.518 4.344 1.00 0.00 H new ATOM 0 HD23 LEU A 118 13.976 3.504 5.006 1.00 0.00 H new ATOM 421 N PRO A 119 16.618 2.727 0.700 1.00 0.00 N ATOM 422 CA PRO A 119 17.319 1.632 0.018 1.00 0.00 C ATOM 423 C PRO A 119 16.373 0.486 -0.325 1.00 0.00 C ATOM 424 O PRO A 119 16.257 -0.485 0.426 1.00 0.00 O ATOM 425 CB PRO A 119 18.352 1.180 1.052 1.00 0.00 C ATOM 426 CG PRO A 119 18.615 2.387 1.886 1.00 0.00 C ATOM 427 CD PRO A 119 17.338 3.185 1.902 1.00 0.00 C ATOM 0 HA PRO A 119 17.757 1.944 -0.930 1.00 0.00 H new ATOM 0 HB2 PRO A 119 17.971 0.357 1.657 1.00 0.00 H new ATOM 0 HB3 PRO A 119 19.264 0.826 0.571 1.00 0.00 H new ATOM 0 HG2 PRO A 119 18.907 2.103 2.897 1.00 0.00 H new ATOM 0 HG3 PRO A 119 19.434 2.974 1.470 1.00 0.00 H new ATOM 0 HD2 PRO A 119 16.762 2.998 2.808 1.00 0.00 H new ATOM 0 HD3 PRO A 119 17.536 4.256 1.865 1.00 0.00 H new ATOM 435 N ALA A 120 15.675 0.623 -1.449 1.00 0.00 N ATOM 436 CA ALA A 120 14.710 -0.376 -1.884 1.00 0.00 C ATOM 437 C ALA A 120 13.621 -0.539 -0.830 1.00 0.00 C ATOM 438 O ALA A 120 12.954 -1.570 -0.756 1.00 0.00 O ATOM 439 CB ALA A 120 15.397 -1.705 -2.160 1.00 0.00 C ATOM 0 H ALA A 120 15.762 1.422 -2.077 1.00 0.00 H new ATOM 0 HA ALA A 120 14.250 -0.038 -2.813 1.00 0.00 H new ATOM 0 HB1 ALA A 120 14.657 -2.437 -2.484 1.00 0.00 H new ATOM 0 HB2 ALA A 120 16.143 -1.573 -2.943 1.00 0.00 H new ATOM 0 HB3 ALA A 120 15.884 -2.059 -1.251 1.00 0.00 H new ATOM 445 N LEU A 121 13.453 0.502 -0.018 1.00 0.00 N ATOM 446 CA LEU A 121 12.453 0.509 1.041 1.00 0.00 C ATOM 447 C LEU A 121 12.570 -0.722 1.932 1.00 0.00 C ATOM 448 O LEU A 121 11.593 -1.437 2.149 1.00 0.00 O ATOM 449 CB LEU A 121 11.044 0.611 0.454 1.00 0.00 C ATOM 450 CG LEU A 121 10.674 1.987 -0.111 1.00 0.00 C ATOM 451 CD1 LEU A 121 11.545 2.332 -1.309 1.00 0.00 C ATOM 452 CD2 LEU A 121 9.202 2.028 -0.494 1.00 0.00 C ATOM 0 H LEU A 121 14.004 1.359 -0.077 1.00 0.00 H new ATOM 0 HA LEU A 121 12.639 1.387 1.660 1.00 0.00 H new ATOM 0 HB2 LEU A 121 10.943 -0.130 -0.339 1.00 0.00 H new ATOM 0 HB3 LEU A 121 10.324 0.348 1.229 1.00 0.00 H new ATOM 0 HG LEU A 121 10.851 2.732 0.665 1.00 0.00 H new ATOM 0 HD11 LEU A 121 11.264 3.313 -1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 121 12.592 2.347 -1.005 1.00 0.00 H new ATOM 0 HD13 LEU A 121 11.404 1.583 -2.089 1.00 0.00 H new ATOM 0 HD21 LEU A 121 8.957 3.012 -0.893 1.00 0.00 H new ATOM 0 HD22 LEU A 121 9.002 1.269 -1.251 1.00 0.00 H new ATOM 0 HD23 LEU A 121 8.591 1.832 0.387 1.00 0.00 H new ATOM 464 N ASP A 122 13.771 -0.959 2.453 1.00 0.00 N ATOM 465 CA ASP A 122 14.015 -2.097 3.335 1.00 0.00 C ATOM 466 C ASP A 122 13.466 -1.813 4.732 1.00 0.00 C ATOM 467 O ASP A 122 14.128 -2.062 5.741 1.00 0.00 O ATOM 468 CB ASP A 122 15.513 -2.406 3.403 1.00 0.00 C ATOM 469 CG ASP A 122 15.816 -3.638 4.235 1.00 0.00 C ATOM 470 OD1 ASP A 122 15.323 -4.729 3.881 1.00 0.00 O ATOM 471 OD2 ASP A 122 16.548 -3.511 5.240 1.00 0.00 O ATOM 0 H ASP A 122 14.591 -0.378 2.280 1.00 0.00 H new ATOM 0 HA ASP A 122 13.499 -2.968 2.930 1.00 0.00 H new ATOM 0 HB2 ASP A 122 15.897 -2.550 2.393 1.00 0.00 H new ATOM 0 HB3 ASP A 122 16.039 -1.549 3.824 1.00 0.00 H new ATOM 476 N GLY A 123 12.252 -1.277 4.776 1.00 0.00 N ATOM 477 CA GLY A 123 11.616 -0.947 6.034 1.00 0.00 C ATOM 478 C GLY A 123 10.324 -0.186 5.821 1.00 0.00 C ATOM 479 O GLY A 123 9.411 -0.247 6.645 1.00 0.00 O ATOM 0 H GLY A 123 11.692 -1.064 3.951 1.00 0.00 H new ATOM 0 HA2 GLY A 123 11.413 -1.862 6.591 1.00 0.00 H new ATOM 0 HA3 GLY A 123 12.296 -0.349 6.641 1.00 0.00 H new ATOM 483 N ALA A 124 10.256 0.535 4.704 1.00 0.00 N ATOM 484 CA ALA A 124 9.077 1.320 4.359 1.00 0.00 C ATOM 485 C ALA A 124 7.812 0.475 4.427 1.00 0.00 C ATOM 486 O ALA A 124 7.829 -0.713 4.101 1.00 0.00 O ATOM 487 CB ALA A 124 9.235 1.925 2.972 1.00 0.00 C ATOM 0 H ALA A 124 11.010 0.591 4.019 1.00 0.00 H new ATOM 0 HA ALA A 124 8.982 2.125 5.088 1.00 0.00 H new ATOM 0 HB1 ALA A 124 8.348 2.509 2.726 1.00 0.00 H new ATOM 0 HB2 ALA A 124 10.112 2.573 2.955 1.00 0.00 H new ATOM 0 HB3 ALA A 124 9.359 1.128 2.239 1.00 0.00 H new ATOM 493 N ARG A 125 6.716 1.094 4.855 1.00 0.00 N ATOM 494 CA ARG A 125 5.439 0.395 4.972 1.00 0.00 C ATOM 495 C ARG A 125 4.273 1.338 4.699 1.00 0.00 C ATOM 496 O ARG A 125 4.257 2.473 5.173 1.00 0.00 O ATOM 497 CB ARG A 125 5.288 -0.214 6.370 1.00 0.00 C ATOM 498 CG ARG A 125 6.366 -1.225 6.720 1.00 0.00 C ATOM 499 CD ARG A 125 6.156 -1.802 8.111 1.00 0.00 C ATOM 500 NE ARG A 125 6.187 -0.767 9.143 1.00 0.00 N ATOM 501 CZ ARG A 125 6.005 -1.010 10.437 1.00 0.00 C ATOM 502 NH1 ARG A 125 5.772 -2.247 10.858 1.00 0.00 N ATOM 503 NH2 ARG A 125 6.053 -0.016 11.314 1.00 0.00 N ATOM 0 H ARG A 125 6.686 2.077 5.126 1.00 0.00 H new ATOM 0 HA ARG A 125 5.427 -0.402 4.228 1.00 0.00 H new ATOM 0 HB2 ARG A 125 5.302 0.588 7.108 1.00 0.00 H new ATOM 0 HB3 ARG A 125 4.313 -0.697 6.442 1.00 0.00 H new ATOM 0 HG2 ARG A 125 6.363 -2.031 5.986 1.00 0.00 H new ATOM 0 HG3 ARG A 125 7.345 -0.749 6.666 1.00 0.00 H new ATOM 0 HD2 ARG A 125 5.199 -2.322 8.147 1.00 0.00 H new ATOM 0 HD3 ARG A 125 6.929 -2.543 8.317 1.00 0.00 H new ATOM 0 HE ARG A 125 6.358 0.196 8.854 1.00 0.00 H new ATOM 0 HH11 ARG A 125 5.732 -3.015 10.188 1.00 0.00 H new ATOM 0 HH12 ARG A 125 5.633 -2.430 11.852 1.00 0.00 H new ATOM 0 HH21 ARG A 125 6.230 0.937 10.996 1.00 0.00 H new ATOM 0 HH22 ARG A 125 5.913 -0.204 12.307 1.00 0.00 H new ATOM 517 N VAL A 126 3.294 0.858 3.938 1.00 0.00 N ATOM 518 CA VAL A 126 2.123 1.661 3.612 1.00 0.00 C ATOM 519 C VAL A 126 0.841 0.972 4.074 1.00 0.00 C ATOM 520 O VAL A 126 0.637 -0.220 3.823 1.00 0.00 O ATOM 521 CB VAL A 126 2.030 1.940 2.099 1.00 0.00 C ATOM 522 CG1 VAL A 126 3.267 2.679 1.613 1.00 0.00 C ATOM 523 CG2 VAL A 126 1.835 0.648 1.321 1.00 0.00 C ATOM 0 H VAL A 126 3.289 -0.080 3.537 1.00 0.00 H new ATOM 0 HA VAL A 126 2.234 2.609 4.138 1.00 0.00 H new ATOM 0 HB VAL A 126 1.161 2.575 1.924 1.00 0.00 H new ATOM 0 HG11 VAL A 126 3.182 2.866 0.543 1.00 0.00 H new ATOM 0 HG12 VAL A 126 3.355 3.628 2.142 1.00 0.00 H new ATOM 0 HG13 VAL A 126 4.152 2.073 1.806 1.00 0.00 H new ATOM 0 HG21 VAL A 126 1.772 0.871 0.256 1.00 0.00 H new ATOM 0 HG22 VAL A 126 2.679 -0.017 1.503 1.00 0.00 H new ATOM 0 HG23 VAL A 126 0.914 0.163 1.645 1.00 0.00 H new ATOM 533 N GLU A 127 -0.019 1.727 4.752 1.00 0.00 N ATOM 534 CA GLU A 127 -1.283 1.190 5.245 1.00 0.00 C ATOM 535 C GLU A 127 -2.409 1.479 4.260 1.00 0.00 C ATOM 536 O GLU A 127 -2.650 2.631 3.901 1.00 0.00 O ATOM 537 CB GLU A 127 -1.618 1.785 6.614 1.00 0.00 C ATOM 538 CG GLU A 127 -2.903 1.239 7.217 1.00 0.00 C ATOM 539 CD GLU A 127 -3.218 1.849 8.570 1.00 0.00 C ATOM 540 OE1 GLU A 127 -2.388 1.709 9.492 1.00 0.00 O ATOM 541 OE2 GLU A 127 -4.296 2.466 8.705 1.00 0.00 O ATOM 0 H GLU A 127 0.136 2.711 4.972 1.00 0.00 H new ATOM 0 HA GLU A 127 -1.178 0.110 5.347 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -0.793 1.588 7.298 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -1.702 2.868 6.520 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -3.731 1.431 6.534 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -2.820 0.157 7.321 1.00 0.00 H new ATOM 548 N PHE A 128 -3.094 0.429 3.825 1.00 0.00 N ATOM 549 CA PHE A 128 -4.192 0.573 2.876 1.00 0.00 C ATOM 550 C PHE A 128 -5.506 0.847 3.599 1.00 0.00 C ATOM 551 O PHE A 128 -5.801 0.234 4.626 1.00 0.00 O ATOM 552 CB PHE A 128 -4.325 -0.684 2.011 1.00 0.00 C ATOM 553 CG PHE A 128 -3.088 -1.017 1.220 1.00 0.00 C ATOM 554 CD1 PHE A 128 -1.874 -1.225 1.856 1.00 0.00 C ATOM 555 CD2 PHE A 128 -3.145 -1.130 -0.159 1.00 0.00 C ATOM 556 CE1 PHE A 128 -0.741 -1.536 1.131 1.00 0.00 C ATOM 557 CE2 PHE A 128 -2.013 -1.441 -0.888 1.00 0.00 C ATOM 558 CZ PHE A 128 -0.811 -1.644 -0.244 1.00 0.00 C ATOM 0 H PHE A 128 -2.909 -0.532 4.114 1.00 0.00 H new ATOM 0 HA PHE A 128 -3.967 1.423 2.232 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -4.572 -1.530 2.653 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -5.160 -0.552 1.322 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -1.814 -1.143 2.931 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -4.084 -0.973 -0.670 1.00 0.00 H new ATOM 0 HE1 PHE A 128 0.199 -1.695 1.639 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -2.070 -1.525 -1.963 1.00 0.00 H new ATOM 0 HZ PHE A 128 0.074 -1.887 -0.814 1.00 0.00 H new ATOM 568 N ARG A 129 -6.296 1.768 3.053 1.00 0.00 N ATOM 569 CA ARG A 129 -7.585 2.123 3.640 1.00 0.00 C ATOM 570 C ARG A 129 -8.591 2.472 2.548 1.00 0.00 C ATOM 571 O ARG A 129 -8.318 3.301 1.680 1.00 0.00 O ATOM 572 CB ARG A 129 -7.427 3.305 4.602 1.00 0.00 C ATOM 573 CG ARG A 129 -6.534 3.009 5.798 1.00 0.00 C ATOM 574 CD ARG A 129 -7.138 1.944 6.699 1.00 0.00 C ATOM 575 NE ARG A 129 -8.409 2.372 7.277 1.00 0.00 N ATOM 576 CZ ARG A 129 -9.135 1.620 8.098 1.00 0.00 C ATOM 577 NH1 ARG A 129 -8.722 0.405 8.432 1.00 0.00 N ATOM 578 NH2 ARG A 129 -10.277 2.084 8.587 1.00 0.00 N ATOM 0 H ARG A 129 -6.065 2.283 2.203 1.00 0.00 H new ATOM 0 HA ARG A 129 -7.956 1.263 4.197 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -7.016 4.154 4.055 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -8.412 3.603 4.961 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -5.556 2.679 5.449 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -6.376 3.923 6.370 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -7.290 1.029 6.127 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -6.437 1.707 7.500 1.00 0.00 H new ATOM 0 HE ARG A 129 -8.759 3.300 7.037 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -7.844 0.044 8.059 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -9.282 -0.169 9.062 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -10.598 3.018 8.333 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -10.834 1.507 9.217 1.00 0.00 H new ATOM 592 N CYS A 130 -9.751 1.825 2.593 1.00 0.00 N ATOM 593 CA CYS A 130 -10.800 2.054 1.604 1.00 0.00 C ATOM 594 C CYS A 130 -11.736 3.181 2.026 1.00 0.00 C ATOM 595 O CYS A 130 -12.027 3.354 3.210 1.00 0.00 O ATOM 596 CB CYS A 130 -11.606 0.774 1.376 1.00 0.00 C ATOM 597 SG CYS A 130 -10.659 -0.580 0.610 1.00 0.00 S ATOM 0 H CYS A 130 -9.989 1.136 3.306 1.00 0.00 H new ATOM 0 HA CYS A 130 -10.313 2.348 0.674 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -11.999 0.431 2.333 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -12.463 1.006 0.744 1.00 0.00 H new ATOM 602 N ASP A 131 -12.212 3.935 1.039 1.00 0.00 N ATOM 603 CA ASP A 131 -13.130 5.042 1.283 1.00 0.00 C ATOM 604 C ASP A 131 -14.361 4.561 2.045 1.00 0.00 C ATOM 605 O ASP A 131 -14.804 3.429 1.865 1.00 0.00 O ATOM 606 CB ASP A 131 -13.546 5.679 -0.048 1.00 0.00 C ATOM 607 CG ASP A 131 -14.650 6.710 0.097 1.00 0.00 C ATOM 608 OD1 ASP A 131 -15.777 6.328 0.479 1.00 0.00 O ATOM 609 OD2 ASP A 131 -14.387 7.902 -0.169 1.00 0.00 O ATOM 0 H ASP A 131 -11.975 3.797 0.057 1.00 0.00 H new ATOM 0 HA ASP A 131 -12.621 5.789 1.891 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -12.676 6.151 -0.504 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -13.878 4.896 -0.729 1.00 0.00 H new ATOM 614 N PRO A 132 -14.927 5.421 2.912 1.00 0.00 N ATOM 615 CA PRO A 132 -16.108 5.086 3.704 1.00 0.00 C ATOM 616 C PRO A 132 -17.104 4.220 2.935 1.00 0.00 C ATOM 617 O PRO A 132 -17.372 4.465 1.759 1.00 0.00 O ATOM 618 CB PRO A 132 -16.709 6.457 4.000 1.00 0.00 C ATOM 619 CG PRO A 132 -15.537 7.383 4.064 1.00 0.00 C ATOM 620 CD PRO A 132 -14.456 6.790 3.190 1.00 0.00 C ATOM 0 HA PRO A 132 -15.861 4.502 4.591 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -17.409 6.758 3.221 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -17.261 6.452 4.940 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -15.812 8.378 3.715 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -15.187 7.491 5.091 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -14.329 7.362 2.271 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -13.492 6.784 3.698 1.00 0.00 H new ATOM 628 N ASP A 133 -17.637 3.207 3.616 1.00 0.00 N ATOM 629 CA ASP A 133 -18.603 2.279 3.027 1.00 0.00 C ATOM 630 C ASP A 133 -17.924 1.291 2.076 1.00 0.00 C ATOM 631 O ASP A 133 -18.573 0.706 1.209 1.00 0.00 O ATOM 632 CB ASP A 133 -19.706 3.041 2.286 1.00 0.00 C ATOM 633 CG ASP A 133 -20.433 4.024 3.183 1.00 0.00 C ATOM 634 OD1 ASP A 133 -21.023 3.583 4.192 1.00 0.00 O ATOM 635 OD2 ASP A 133 -20.414 5.235 2.877 1.00 0.00 O ATOM 0 H ASP A 133 -17.412 3.006 4.590 1.00 0.00 H new ATOM 0 HA ASP A 133 -19.050 1.713 3.845 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -19.270 3.577 1.443 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -20.422 2.329 1.876 1.00 0.00 H new ATOM 640 N PHE A 134 -16.619 1.094 2.257 1.00 0.00 N ATOM 641 CA PHE A 134 -15.857 0.157 1.430 1.00 0.00 C ATOM 642 C PHE A 134 -14.943 -0.703 2.298 1.00 0.00 C ATOM 643 O PHE A 134 -14.215 -0.185 3.144 1.00 0.00 O ATOM 644 CB PHE A 134 -15.012 0.893 0.382 1.00 0.00 C ATOM 645 CG PHE A 134 -15.805 1.544 -0.717 1.00 0.00 C ATOM 646 CD1 PHE A 134 -16.642 2.616 -0.454 1.00 0.00 C ATOM 647 CD2 PHE A 134 -15.707 1.080 -2.020 1.00 0.00 C ATOM 648 CE1 PHE A 134 -17.368 3.212 -1.468 1.00 0.00 C ATOM 649 CE2 PHE A 134 -16.431 1.671 -3.037 1.00 0.00 C ATOM 650 CZ PHE A 134 -17.263 2.738 -2.761 1.00 0.00 C ATOM 0 H PHE A 134 -16.066 1.571 2.969 1.00 0.00 H new ATOM 0 HA PHE A 134 -16.577 -0.479 0.914 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -14.418 1.656 0.884 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -14.312 0.186 -0.063 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -16.728 2.991 0.555 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -15.057 0.247 -2.242 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -18.017 4.047 -1.249 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -16.346 1.299 -4.047 1.00 0.00 H new ATOM 0 HZ PHE A 134 -17.831 3.201 -3.555 1.00 0.00 H new ATOM 660 N HIS A 135 -14.973 -2.015 2.079 1.00 0.00 N ATOM 661 CA HIS A 135 -14.129 -2.928 2.842 1.00 0.00 C ATOM 662 C HIS A 135 -12.971 -3.439 1.988 1.00 0.00 C ATOM 663 O HIS A 135 -13.156 -3.812 0.827 1.00 0.00 O ATOM 664 CB HIS A 135 -14.948 -4.104 3.387 1.00 0.00 C ATOM 665 CG HIS A 135 -15.533 -4.985 2.330 1.00 0.00 C ATOM 666 ND1 HIS A 135 -16.450 -4.541 1.401 1.00 0.00 N ATOM 667 CD2 HIS A 135 -15.328 -6.296 2.058 1.00 0.00 C ATOM 668 CE1 HIS A 135 -16.784 -5.542 0.605 1.00 0.00 C ATOM 669 NE2 HIS A 135 -16.117 -6.616 0.982 1.00 0.00 N ATOM 0 H HIS A 135 -15.568 -2.467 1.385 1.00 0.00 H new ATOM 0 HA HIS A 135 -13.717 -2.375 3.686 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -14.311 -4.706 4.035 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -15.755 -3.714 4.007 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -14.667 -6.965 2.589 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -17.485 -5.490 -0.215 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -16.178 -7.535 0.544 1.00 0.00 H new ATOM 678 N LEU A 136 -11.777 -3.444 2.574 1.00 0.00 N ATOM 679 CA LEU A 136 -10.576 -3.900 1.882 1.00 0.00 C ATOM 680 C LEU A 136 -10.528 -5.427 1.848 1.00 0.00 C ATOM 681 O LEU A 136 -10.954 -6.086 2.796 1.00 0.00 O ATOM 682 CB LEU A 136 -9.336 -3.335 2.571 1.00 0.00 C ATOM 683 CG LEU A 136 -8.024 -3.522 1.810 1.00 0.00 C ATOM 684 CD1 LEU A 136 -8.163 -3.040 0.375 1.00 0.00 C ATOM 685 CD2 LEU A 136 -6.904 -2.780 2.513 1.00 0.00 C ATOM 0 H LEU A 136 -11.615 -3.135 3.533 1.00 0.00 H new ATOM 0 HA LEU A 136 -10.599 -3.539 0.854 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -9.489 -2.269 2.742 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -9.239 -3.804 3.550 1.00 0.00 H new ATOM 0 HG LEU A 136 -7.782 -4.585 1.790 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -7.218 -3.182 -0.150 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -8.945 -3.610 -0.126 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -8.425 -1.982 0.370 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -5.974 -2.920 1.963 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -7.143 -1.718 2.558 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -6.789 -3.169 3.525 1.00 0.00 H new ATOM 697 N VAL A 137 -10.041 -5.989 0.741 1.00 0.00 N ATOM 698 CA VAL A 137 -9.988 -7.442 0.596 1.00 0.00 C ATOM 699 C VAL A 137 -8.650 -7.946 0.036 1.00 0.00 C ATOM 700 O VAL A 137 -8.616 -8.597 -1.010 1.00 0.00 O ATOM 701 CB VAL A 137 -11.140 -7.925 -0.311 1.00 0.00 C ATOM 702 CG1 VAL A 137 -10.994 -7.361 -1.717 1.00 0.00 C ATOM 703 CG2 VAL A 137 -11.218 -9.445 -0.337 1.00 0.00 C ATOM 0 H VAL A 137 -9.682 -5.467 -0.058 1.00 0.00 H new ATOM 0 HA VAL A 137 -10.092 -7.857 1.598 1.00 0.00 H new ATOM 0 HB VAL A 137 -12.075 -7.552 0.107 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -11.817 -7.715 -2.338 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -11.013 -6.272 -1.676 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -10.048 -7.692 -2.145 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -12.038 -9.756 -0.984 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -10.281 -9.851 -0.719 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -11.390 -9.818 0.673 1.00 0.00 H new ATOM 713 N GLY A 138 -7.543 -7.671 0.724 1.00 0.00 N ATOM 714 CA GLY A 138 -6.264 -8.151 0.224 1.00 0.00 C ATOM 715 C GLY A 138 -5.071 -7.565 0.942 1.00 0.00 C ATOM 716 O GLY A 138 -4.973 -7.649 2.164 1.00 0.00 O ATOM 0 H GLY A 138 -7.506 -7.140 1.594 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -6.233 -9.237 0.314 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -6.188 -7.917 -0.838 1.00 0.00 H new ATOM 720 N SER A 139 -4.156 -6.987 0.164 1.00 0.00 N ATOM 721 CA SER A 139 -2.940 -6.380 0.700 1.00 0.00 C ATOM 722 C SER A 139 -3.262 -5.166 1.560 1.00 0.00 C ATOM 723 O SER A 139 -2.912 -4.038 1.214 1.00 0.00 O ATOM 724 CB SER A 139 -2.005 -5.972 -0.437 1.00 0.00 C ATOM 725 OG SER A 139 -0.884 -5.261 0.053 1.00 0.00 O ATOM 0 H SER A 139 -4.237 -6.927 -0.851 1.00 0.00 H new ATOM 0 HA SER A 139 -2.446 -7.123 1.325 1.00 0.00 H new ATOM 0 HB2 SER A 139 -1.670 -6.860 -0.972 1.00 0.00 H new ATOM 0 HB3 SER A 139 -2.547 -5.354 -1.153 1.00 0.00 H new ATOM 0 HG SER A 139 -0.186 -5.238 -0.634 1.00 0.00 H new ATOM 731 N SER A 140 -3.927 -5.403 2.678 1.00 0.00 N ATOM 732 CA SER A 140 -4.296 -4.343 3.585 1.00 0.00 C ATOM 733 C SER A 140 -3.050 -3.652 4.127 1.00 0.00 C ATOM 734 O SER A 140 -3.082 -2.475 4.484 1.00 0.00 O ATOM 735 CB SER A 140 -5.150 -4.918 4.711 1.00 0.00 C ATOM 736 OG SER A 140 -4.400 -5.804 5.524 1.00 0.00 O ATOM 0 H SER A 140 -4.223 -6.332 2.977 1.00 0.00 H new ATOM 0 HA SER A 140 -4.882 -3.592 3.054 1.00 0.00 H new ATOM 0 HB2 SER A 140 -5.545 -4.106 5.322 1.00 0.00 H new ATOM 0 HB3 SER A 140 -6.006 -5.445 4.289 1.00 0.00 H new ATOM 0 HG SER A 140 -4.972 -6.156 6.238 1.00 0.00 H new ATOM 742 N ARG A 141 -1.946 -4.394 4.165 1.00 0.00 N ATOM 743 CA ARG A 141 -0.675 -3.862 4.641 1.00 0.00 C ATOM 744 C ARG A 141 0.477 -4.383 3.785 1.00 0.00 C ATOM 745 O ARG A 141 0.644 -5.592 3.625 1.00 0.00 O ATOM 746 CB ARG A 141 -0.451 -4.246 6.105 1.00 0.00 C ATOM 747 CG ARG A 141 -1.481 -3.658 7.053 1.00 0.00 C ATOM 748 CD ARG A 141 -1.243 -4.116 8.484 1.00 0.00 C ATOM 749 NE ARG A 141 0.096 -3.773 8.952 1.00 0.00 N ATOM 750 CZ ARG A 141 0.555 -4.075 10.164 1.00 0.00 C ATOM 751 NH1 ARG A 141 -0.220 -4.716 11.028 1.00 0.00 N ATOM 752 NH2 ARG A 141 1.788 -3.735 10.511 1.00 0.00 N ATOM 0 H ARG A 141 -1.908 -5.370 3.870 1.00 0.00 H new ATOM 0 HA ARG A 141 -0.708 -2.775 4.562 1.00 0.00 H new ATOM 0 HB2 ARG A 141 -0.467 -5.332 6.193 1.00 0.00 H new ATOM 0 HB3 ARG A 141 0.542 -3.916 6.411 1.00 0.00 H new ATOM 0 HG2 ARG A 141 -1.441 -2.570 7.006 1.00 0.00 H new ATOM 0 HG3 ARG A 141 -2.481 -3.955 6.736 1.00 0.00 H new ATOM 0 HD2 ARG A 141 -1.984 -3.658 9.139 1.00 0.00 H new ATOM 0 HD3 ARG A 141 -1.384 -5.195 8.548 1.00 0.00 H new ATOM 0 HE ARG A 141 0.715 -3.273 8.314 1.00 0.00 H new ATOM 0 HH11 ARG A 141 -1.170 -4.978 10.764 1.00 0.00 H new ATOM 0 HH12 ARG A 141 0.133 -4.947 11.957 1.00 0.00 H new ATOM 0 HH21 ARG A 141 2.386 -3.241 9.849 1.00 0.00 H new ATOM 0 HH22 ARG A 141 2.139 -3.967 11.440 1.00 0.00 H new ATOM 766 N SER A 142 1.275 -3.466 3.240 1.00 0.00 N ATOM 767 CA SER A 142 2.413 -3.845 2.405 1.00 0.00 C ATOM 768 C SER A 142 3.723 -3.410 3.049 1.00 0.00 C ATOM 769 O SER A 142 3.831 -2.300 3.570 1.00 0.00 O ATOM 770 CB SER A 142 2.290 -3.228 1.011 1.00 0.00 C ATOM 771 OG SER A 142 1.184 -3.767 0.312 1.00 0.00 O ATOM 0 H SER A 142 1.155 -2.460 3.361 1.00 0.00 H new ATOM 0 HA SER A 142 2.412 -4.931 2.310 1.00 0.00 H new ATOM 0 HB2 SER A 142 2.178 -2.147 1.097 1.00 0.00 H new ATOM 0 HB3 SER A 142 3.205 -3.410 0.447 1.00 0.00 H new ATOM 0 HG SER A 142 0.422 -3.155 0.384 1.00 0.00 H new ATOM 777 N VAL A 143 4.719 -4.290 3.006 1.00 0.00 N ATOM 778 CA VAL A 143 6.021 -3.992 3.584 1.00 0.00 C ATOM 779 C VAL A 143 7.141 -4.317 2.605 1.00 0.00 C ATOM 780 O VAL A 143 7.353 -5.476 2.249 1.00 0.00 O ATOM 781 CB VAL A 143 6.254 -4.781 4.888 1.00 0.00 C ATOM 782 CG1 VAL A 143 7.648 -4.513 5.436 1.00 0.00 C ATOM 783 CG2 VAL A 143 5.194 -4.432 5.920 1.00 0.00 C ATOM 0 H VAL A 143 4.648 -5.213 2.577 1.00 0.00 H new ATOM 0 HA VAL A 143 6.030 -2.925 3.807 1.00 0.00 H new ATOM 0 HB VAL A 143 6.176 -5.845 4.664 1.00 0.00 H new ATOM 0 HG11 VAL A 143 7.792 -5.079 6.356 1.00 0.00 H new ATOM 0 HG12 VAL A 143 8.393 -4.819 4.701 1.00 0.00 H new ATOM 0 HG13 VAL A 143 7.759 -3.449 5.644 1.00 0.00 H new ATOM 0 HG21 VAL A 143 5.375 -4.999 6.833 1.00 0.00 H new ATOM 0 HG22 VAL A 143 5.238 -3.365 6.140 1.00 0.00 H new ATOM 0 HG23 VAL A 143 4.208 -4.681 5.528 1.00 0.00 H new ATOM 793 N CYS A 144 7.861 -3.284 2.182 1.00 0.00 N ATOM 794 CA CYS A 144 8.969 -3.454 1.254 1.00 0.00 C ATOM 795 C CYS A 144 10.221 -3.924 1.985 1.00 0.00 C ATOM 796 O CYS A 144 10.391 -3.662 3.175 1.00 0.00 O ATOM 797 CB CYS A 144 9.245 -2.151 0.505 1.00 0.00 C ATOM 798 SG CYS A 144 7.972 -1.721 -0.726 1.00 0.00 S ATOM 0 H CYS A 144 7.696 -2.319 2.468 1.00 0.00 H new ATOM 0 HA CYS A 144 8.691 -4.219 0.529 1.00 0.00 H new ATOM 0 HB2 CYS A 144 9.327 -1.339 1.227 1.00 0.00 H new ATOM 0 HB3 CYS A 144 10.209 -2.229 0.003 1.00 0.00 H new ATOM 803 N SER A 145 11.090 -4.624 1.265 1.00 0.00 N ATOM 804 CA SER A 145 12.323 -5.139 1.846 1.00 0.00 C ATOM 805 C SER A 145 13.403 -5.279 0.779 1.00 0.00 C ATOM 806 O SER A 145 14.596 -5.280 1.080 1.00 0.00 O ATOM 807 CB SER A 145 12.066 -6.489 2.519 1.00 0.00 C ATOM 808 OG SER A 145 13.246 -6.994 3.118 1.00 0.00 O ATOM 0 H SER A 145 10.963 -4.848 0.278 1.00 0.00 H new ATOM 0 HA SER A 145 12.672 -4.431 2.598 1.00 0.00 H new ATOM 0 HB2 SER A 145 11.289 -6.379 3.275 1.00 0.00 H new ATOM 0 HB3 SER A 145 11.695 -7.201 1.782 1.00 0.00 H new ATOM 0 HG SER A 145 13.849 -6.251 3.330 1.00 0.00 H new ATOM 814 N GLN A 146 12.966 -5.391 -0.469 1.00 0.00 N ATOM 815 CA GLN A 146 13.878 -5.528 -1.601 1.00 0.00 C ATOM 816 C GLN A 146 13.295 -4.842 -2.831 1.00 0.00 C ATOM 817 O GLN A 146 13.285 -5.404 -3.928 1.00 0.00 O ATOM 818 CB GLN A 146 14.137 -7.007 -1.902 1.00 0.00 C ATOM 819 CG GLN A 146 14.737 -7.774 -0.734 1.00 0.00 C ATOM 820 CD GLN A 146 14.934 -9.251 -1.030 1.00 0.00 C ATOM 821 OE1 GLN A 146 14.559 -9.677 -2.233 1.00 0.00 O flip ATOM 822 NE2 GLN A 146 15.419 -10.003 -0.185 1.00 0.00 N flip ATOM 0 H GLN A 146 11.979 -5.390 -0.725 1.00 0.00 H new ATOM 0 HA GLN A 146 14.824 -5.052 -1.343 1.00 0.00 H new ATOM 0 HB2 GLN A 146 13.198 -7.479 -2.191 1.00 0.00 H new ATOM 0 HB3 GLN A 146 14.808 -7.082 -2.757 1.00 0.00 H new ATOM 0 HG2 GLN A 146 15.698 -7.331 -0.471 1.00 0.00 H new ATOM 0 HG3 GLN A 146 14.088 -7.667 0.135 1.00 0.00 H new ATOM 0 HE21 GLN A 146 15.694 -9.636 0.726 1.00 0.00 H new ATOM 0 HE22 GLN A 146 15.546 -10.993 -0.396 1.00 0.00 H new ATOM 831 N GLY A 147 12.797 -3.626 -2.633 1.00 0.00 N ATOM 832 CA GLY A 147 12.198 -2.873 -3.719 1.00 0.00 C ATOM 833 C GLY A 147 10.944 -3.542 -4.246 1.00 0.00 C ATOM 834 O GLY A 147 10.546 -3.325 -5.390 1.00 0.00 O ATOM 0 H GLY A 147 12.798 -3.146 -1.733 1.00 0.00 H new ATOM 0 HA2 GLY A 147 11.956 -1.868 -3.374 1.00 0.00 H new ATOM 0 HA3 GLY A 147 12.920 -2.766 -4.528 1.00 0.00 H new ATOM 838 N GLN A 148 10.318 -4.351 -3.395 1.00 0.00 N ATOM 839 CA GLN A 148 9.092 -5.060 -3.751 1.00 0.00 C ATOM 840 C GLN A 148 8.133 -5.099 -2.563 1.00 0.00 C ATOM 841 O GLN A 148 8.535 -5.422 -1.446 1.00 0.00 O ATOM 842 CB GLN A 148 9.413 -6.485 -4.209 1.00 0.00 C ATOM 843 CG GLN A 148 10.224 -6.550 -5.493 1.00 0.00 C ATOM 844 CD GLN A 148 9.449 -6.066 -6.704 1.00 0.00 C ATOM 845 OE1 GLN A 148 9.010 -4.917 -6.758 1.00 0.00 O ATOM 846 NE2 GLN A 148 9.273 -6.945 -7.683 1.00 0.00 N ATOM 0 H GLN A 148 10.643 -4.533 -2.446 1.00 0.00 H new ATOM 0 HA GLN A 148 8.614 -4.525 -4.571 1.00 0.00 H new ATOM 0 HB2 GLN A 148 9.962 -6.996 -3.418 1.00 0.00 H new ATOM 0 HB3 GLN A 148 8.480 -7.029 -4.352 1.00 0.00 H new ATOM 0 HG2 GLN A 148 11.125 -5.947 -5.379 1.00 0.00 H new ATOM 0 HG3 GLN A 148 10.547 -7.577 -5.661 1.00 0.00 H new ATOM 0 HE21 GLN A 148 9.654 -7.887 -7.597 1.00 0.00 H new ATOM 0 HE22 GLN A 148 8.757 -6.678 -8.521 1.00 0.00 H new ATOM 855 N TRP A 149 6.868 -4.773 -2.810 1.00 0.00 N ATOM 856 CA TRP A 149 5.863 -4.776 -1.751 1.00 0.00 C ATOM 857 C TRP A 149 5.614 -6.193 -1.242 1.00 0.00 C ATOM 858 O TRP A 149 5.665 -7.156 -2.008 1.00 0.00 O ATOM 859 CB TRP A 149 4.553 -4.164 -2.246 1.00 0.00 C ATOM 860 CG TRP A 149 4.710 -2.782 -2.800 1.00 0.00 C ATOM 861 CD1 TRP A 149 4.903 -2.440 -4.106 1.00 0.00 C ATOM 862 CD2 TRP A 149 4.709 -1.556 -2.060 1.00 0.00 C ATOM 863 NE1 TRP A 149 5.001 -1.076 -4.227 1.00 0.00 N ATOM 864 CE2 TRP A 149 4.890 -0.511 -2.984 1.00 0.00 C ATOM 865 CE3 TRP A 149 4.568 -1.241 -0.707 1.00 0.00 C ATOM 866 CZ2 TRP A 149 4.932 0.827 -2.597 1.00 0.00 C ATOM 867 CZ3 TRP A 149 4.612 0.086 -0.324 1.00 0.00 C ATOM 868 CH2 TRP A 149 4.793 1.105 -1.266 1.00 0.00 C ATOM 0 H TRP A 149 6.515 -4.505 -3.729 1.00 0.00 H new ATOM 0 HA TRP A 149 6.245 -4.171 -0.928 1.00 0.00 H new ATOM 0 HB2 TRP A 149 4.128 -4.809 -3.015 1.00 0.00 H new ATOM 0 HB3 TRP A 149 3.840 -4.138 -1.422 1.00 0.00 H new ATOM 0 HD1 TRP A 149 4.969 -3.140 -4.926 1.00 0.00 H new ATOM 0 HE1 TRP A 149 5.135 -0.566 -5.100 1.00 0.00 H new ATOM 0 HE3 TRP A 149 4.427 -2.021 0.027 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 5.069 1.615 -3.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 4.505 0.341 0.720 1.00 0.00 H new ATOM 0 HH2 TRP A 149 4.823 2.132 -0.934 1.00 0.00 H new ATOM 879 N SER A 150 5.347 -6.311 0.057 1.00 0.00 N ATOM 880 CA SER A 150 5.093 -7.610 0.674 1.00 0.00 C ATOM 881 C SER A 150 3.943 -8.337 -0.018 1.00 0.00 C ATOM 882 O SER A 150 4.060 -9.513 -0.361 1.00 0.00 O ATOM 883 CB SER A 150 4.781 -7.441 2.161 1.00 0.00 C ATOM 884 OG SER A 150 4.534 -8.693 2.777 1.00 0.00 O ATOM 0 H SER A 150 5.301 -5.522 0.702 1.00 0.00 H new ATOM 0 HA SER A 150 5.994 -8.213 0.563 1.00 0.00 H new ATOM 0 HB2 SER A 150 5.616 -6.947 2.657 1.00 0.00 H new ATOM 0 HB3 SER A 150 3.911 -6.795 2.282 1.00 0.00 H new ATOM 0 HG SER A 150 4.339 -8.557 3.728 1.00 0.00 H new ATOM 890 N THR A 151 2.831 -7.632 -0.220 1.00 0.00 N ATOM 891 CA THR A 151 1.664 -8.226 -0.869 1.00 0.00 C ATOM 892 C THR A 151 1.057 -7.287 -1.916 1.00 0.00 C ATOM 893 O THR A 151 0.976 -6.077 -1.707 1.00 0.00 O ATOM 894 CB THR A 151 0.592 -8.624 0.162 1.00 0.00 C ATOM 895 OG1 THR A 151 -0.657 -8.873 -0.493 1.00 0.00 O ATOM 896 CG2 THR A 151 0.421 -7.544 1.218 1.00 0.00 C ATOM 0 H THR A 151 2.714 -6.656 0.054 1.00 0.00 H new ATOM 0 HA THR A 151 2.012 -9.125 -1.377 1.00 0.00 H new ATOM 0 HB THR A 151 0.923 -9.536 0.658 1.00 0.00 H new ATOM 0 HG1 THR A 151 -1.330 -9.127 0.172 1.00 0.00 H new ATOM 0 HG21 THR A 151 -0.342 -7.852 1.933 1.00 0.00 H new ATOM 0 HG22 THR A 151 1.366 -7.392 1.739 1.00 0.00 H new ATOM 0 HG23 THR A 151 0.116 -6.613 0.740 1.00 0.00 H new ATOM 904 N PRO A 152 0.640 -7.846 -3.072 1.00 0.00 N ATOM 905 CA PRO A 152 0.055 -7.074 -4.183 1.00 0.00 C ATOM 906 C PRO A 152 -1.214 -6.313 -3.805 1.00 0.00 C ATOM 907 O PRO A 152 -2.088 -6.839 -3.118 1.00 0.00 O ATOM 908 CB PRO A 152 -0.265 -8.139 -5.241 1.00 0.00 C ATOM 909 CG PRO A 152 -0.273 -9.433 -4.504 1.00 0.00 C ATOM 910 CD PRO A 152 0.726 -9.279 -3.395 1.00 0.00 C ATOM 0 HA PRO A 152 0.746 -6.301 -4.518 1.00 0.00 H new ATOM 0 HB2 PRO A 152 -1.229 -7.948 -5.712 1.00 0.00 H new ATOM 0 HB3 PRO A 152 0.482 -8.143 -6.034 1.00 0.00 H new ATOM 0 HG2 PRO A 152 -1.265 -9.652 -4.109 1.00 0.00 H new ATOM 0 HG3 PRO A 152 -0.003 -10.259 -5.162 1.00 0.00 H new ATOM 0 HD2 PRO A 152 0.476 -9.902 -2.537 1.00 0.00 H new ATOM 0 HD3 PRO A 152 1.729 -9.562 -3.713 1.00 0.00 H new ATOM 918 N LYS A 153 -1.302 -5.072 -4.284 1.00 0.00 N ATOM 919 CA LYS A 153 -2.454 -4.206 -4.029 1.00 0.00 C ATOM 920 C LYS A 153 -3.775 -4.911 -4.345 1.00 0.00 C ATOM 921 O LYS A 153 -3.965 -5.427 -5.447 1.00 0.00 O ATOM 922 CB LYS A 153 -2.325 -2.930 -4.874 1.00 0.00 C ATOM 923 CG LYS A 153 -3.634 -2.181 -5.083 1.00 0.00 C ATOM 924 CD LYS A 153 -4.127 -1.516 -3.809 1.00 0.00 C ATOM 925 CE LYS A 153 -3.449 -0.175 -3.590 1.00 0.00 C ATOM 926 NZ LYS A 153 -3.701 0.759 -4.722 1.00 0.00 N ATOM 0 H LYS A 153 -0.579 -4.639 -4.858 1.00 0.00 H new ATOM 0 HA LYS A 153 -2.463 -3.954 -2.969 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -1.610 -2.261 -4.394 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -1.911 -3.193 -5.847 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -3.498 -1.425 -5.856 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -4.393 -2.874 -5.446 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -5.207 -1.376 -3.864 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -3.933 -2.168 -2.957 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -3.812 0.270 -2.663 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -2.376 -0.324 -3.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -2.798 1.151 -5.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -4.164 0.246 -5.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -4.317 1.533 -4.403 1.00 0.00 H new ATOM 940 N PRO A 154 -4.714 -4.932 -3.378 1.00 0.00 N ATOM 941 CA PRO A 154 -6.023 -5.563 -3.549 1.00 0.00 C ATOM 942 C PRO A 154 -7.033 -4.630 -4.212 1.00 0.00 C ATOM 943 O PRO A 154 -6.690 -3.886 -5.132 1.00 0.00 O ATOM 944 CB PRO A 154 -6.434 -5.861 -2.114 1.00 0.00 C ATOM 945 CG PRO A 154 -5.835 -4.753 -1.317 1.00 0.00 C ATOM 946 CD PRO A 154 -4.574 -4.334 -2.034 1.00 0.00 C ATOM 0 HA PRO A 154 -5.985 -6.439 -4.196 1.00 0.00 H new ATOM 0 HB2 PRO A 154 -7.519 -5.885 -2.008 1.00 0.00 H new ATOM 0 HB3 PRO A 154 -6.061 -6.832 -1.788 1.00 0.00 H new ATOM 0 HG2 PRO A 154 -6.529 -3.917 -1.235 1.00 0.00 H new ATOM 0 HG3 PRO A 154 -5.612 -5.083 -0.302 1.00 0.00 H new ATOM 0 HD2 PRO A 154 -4.486 -3.249 -2.087 1.00 0.00 H new ATOM 0 HD3 PRO A 154 -3.684 -4.701 -1.524 1.00 0.00 H new ATOM 954 N HIS A 155 -8.278 -4.667 -3.737 1.00 0.00 N ATOM 955 CA HIS A 155 -9.326 -3.814 -4.287 1.00 0.00 C ATOM 956 C HIS A 155 -10.411 -3.540 -3.250 1.00 0.00 C ATOM 957 O HIS A 155 -10.677 -4.369 -2.380 1.00 0.00 O ATOM 958 CB HIS A 155 -9.937 -4.449 -5.538 1.00 0.00 C ATOM 959 CG HIS A 155 -10.396 -5.859 -5.341 1.00 0.00 C ATOM 960 ND1 HIS A 155 -9.538 -6.896 -5.036 1.00 0.00 N ATOM 961 CD2 HIS A 155 -11.633 -6.406 -5.410 1.00 0.00 C ATOM 962 CE1 HIS A 155 -10.226 -8.018 -4.929 1.00 0.00 C ATOM 963 NE2 HIS A 155 -11.499 -7.748 -5.151 1.00 0.00 N ATOM 0 H HIS A 155 -8.582 -5.275 -2.977 1.00 0.00 H new ATOM 0 HA HIS A 155 -8.871 -2.863 -4.564 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -10.783 -3.844 -5.864 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -9.201 -4.426 -6.341 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -12.553 -5.884 -5.628 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -9.817 -8.991 -4.699 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -12.260 -8.427 -5.133 1.00 0.00 H new ATOM 972 N CYS A 156 -11.032 -2.369 -3.349 1.00 0.00 N ATOM 973 CA CYS A 156 -12.088 -1.981 -2.420 1.00 0.00 C ATOM 974 C CYS A 156 -13.456 -2.312 -3.004 1.00 0.00 C ATOM 975 O CYS A 156 -13.734 -2.015 -4.166 1.00 0.00 O ATOM 976 CB CYS A 156 -11.999 -0.485 -2.113 1.00 0.00 C ATOM 977 SG CYS A 156 -10.440 0.022 -1.317 1.00 0.00 S ATOM 0 H CYS A 156 -10.822 -1.672 -4.063 1.00 0.00 H new ATOM 0 HA CYS A 156 -11.957 -2.540 -1.494 1.00 0.00 H new ATOM 0 HB2 CYS A 156 -12.118 0.073 -3.042 1.00 0.00 H new ATOM 0 HB3 CYS A 156 -12.831 -0.208 -1.466 1.00 0.00 H new ATOM 982 N GLN A 157 -14.305 -2.938 -2.195 1.00 0.00 N ATOM 983 CA GLN A 157 -15.640 -3.320 -2.641 1.00 0.00 C ATOM 984 C GLN A 157 -16.717 -2.730 -1.738 1.00 0.00 C ATOM 985 O GLN A 157 -16.570 -2.700 -0.517 1.00 0.00 O ATOM 986 CB GLN A 157 -15.766 -4.844 -2.679 1.00 0.00 C ATOM 987 CG GLN A 157 -17.138 -5.337 -3.113 1.00 0.00 C ATOM 988 CD GLN A 157 -17.521 -4.854 -4.498 1.00 0.00 C ATOM 989 OE1 GLN A 157 -16.826 -5.125 -5.477 1.00 0.00 O ATOM 990 NE2 GLN A 157 -18.635 -4.136 -4.586 1.00 0.00 N ATOM 0 H GLN A 157 -14.093 -3.191 -1.230 1.00 0.00 H new ATOM 0 HA GLN A 157 -15.785 -2.921 -3.645 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -15.015 -5.244 -3.360 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -15.544 -5.242 -1.689 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -17.150 -6.427 -3.096 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -17.885 -4.999 -2.395 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -19.180 -3.936 -3.748 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -18.945 -3.785 -5.492 1.00 0.00 H new ATOM 999 N VAL A 158 -17.802 -2.263 -2.350 1.00 0.00 N ATOM 1000 CA VAL A 158 -18.910 -1.679 -1.604 1.00 0.00 C ATOM 1001 C VAL A 158 -19.567 -2.722 -0.706 1.00 0.00 C ATOM 1002 O VAL A 158 -19.844 -3.840 -1.139 1.00 0.00 O ATOM 1003 CB VAL A 158 -19.974 -1.089 -2.551 1.00 0.00 C ATOM 1004 CG1 VAL A 158 -21.132 -0.502 -1.758 1.00 0.00 C ATOM 1005 CG2 VAL A 158 -19.359 -0.041 -3.464 1.00 0.00 C ATOM 0 H VAL A 158 -17.936 -2.278 -3.361 1.00 0.00 H new ATOM 0 HA VAL A 158 -18.498 -0.878 -0.991 1.00 0.00 H new ATOM 0 HB VAL A 158 -20.362 -1.895 -3.173 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -21.872 -0.091 -2.445 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -21.593 -1.284 -1.154 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -20.762 0.290 -1.106 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -20.127 0.362 -4.124 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -18.938 0.764 -2.862 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -18.570 -0.497 -4.062 1.00 0.00 H new ATOM 1015 N ASN A 159 -19.816 -2.348 0.546 1.00 0.00 N ATOM 1016 CA ASN A 159 -20.443 -3.256 1.502 1.00 0.00 C ATOM 1017 C ASN A 159 -21.834 -3.669 1.030 1.00 0.00 C ATOM 1018 O ASN A 159 -22.619 -2.775 0.651 1.00 0.00 O ATOM 1019 CB ASN A 159 -20.534 -2.597 2.880 1.00 0.00 C ATOM 1020 CG ASN A 159 -19.173 -2.246 3.446 1.00 0.00 C ATOM 1021 OD1 ASN A 159 -18.322 -3.115 3.631 1.00 0.00 O ATOM 1022 ND2 ASN A 159 -18.961 -0.965 3.727 1.00 0.00 N ATOM 1023 OXT ASN A 159 -22.124 -4.884 1.043 1.00 0.00 O ATOM 0 H ASN A 159 -19.594 -1.426 0.921 1.00 0.00 H new ATOM 0 HA ASN A 159 -19.824 -4.150 1.575 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -21.138 -1.693 2.808 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -21.048 -3.269 3.567 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -18.064 -0.669 4.112 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -19.695 -0.277 3.558 1.00 0.00 H new