USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=14 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 155 HIS :FLIP no HD1:sc= -1.08 F(o=-3.6,f=-1.5) USER MOD Set 1.2: A 157 GLN :FLIP amide:sc= -0.425 F(o=-3.6!,f=-1.5) USER MOD Set 2.1: A 139 SER OG : rot -58:sc= 1.18 USER MOD Set 2.2: A 142 SER OG : rot 80:sc= -1.82! USER MOD Set 2.3: A 151 THR OG1 : rot 141:sc= 0.777 USER MOD Single : A 100 SER OG : rot 38:sc= 0.143 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 130:sc= -0.0739 USER MOD Single : A 105 THR OG1 : rot -82:sc= 0.45 USER MOD Single : A 108 ASN : amide:sc= -3.22! C(o=-3.2!,f=-5.4!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= -0.33 USER MOD Single : A 135 HIS : no HD1:sc= -0.625 K(o=-0.63,f=-4.4!) USER MOD Single : A 140 SER OG : rot -81:sc= 0.00435 USER MOD Single : A 145 SER OG : rot 28:sc= 0.212 USER MOD Single : A 146 GLN : amide:sc= -0.0988 X(o=-0.099,f=-0.099) USER MOD Single : A 148 GLN : amide:sc= -0.78 X(o=-0.78,f=-0.32) USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 153 LYS NZ :NH3+ 141:sc= -0.0146 (180deg=-1.53!) USER MOD Single : A 159 ASN : amide:sc= -2.53 K(o=-2.5,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 103 N ILE A 98 12.818 2.692 -5.794 1.00 0.00 N ATOM 104 CA ILE A 98 11.673 2.861 -4.903 1.00 0.00 C ATOM 105 C ILE A 98 10.522 1.953 -5.326 1.00 0.00 C ATOM 106 O ILE A 98 10.269 1.773 -6.518 1.00 0.00 O ATOM 107 CB ILE A 98 11.140 4.318 -4.868 1.00 0.00 C ATOM 108 CG1 ILE A 98 10.704 4.780 -6.266 1.00 0.00 C ATOM 109 CG2 ILE A 98 12.170 5.272 -4.282 1.00 0.00 C ATOM 110 CD1 ILE A 98 11.838 4.911 -7.262 1.00 0.00 C ATOM 0 HA ILE A 98 12.034 2.599 -3.909 1.00 0.00 H new ATOM 0 HB ILE A 98 10.265 4.331 -4.218 1.00 0.00 H new ATOM 0 HG12 ILE A 98 9.972 4.073 -6.657 1.00 0.00 H new ATOM 0 HG13 ILE A 98 10.201 5.743 -6.177 1.00 0.00 H new ATOM 0 HG21 ILE A 98 11.765 6.284 -4.272 1.00 0.00 H new ATOM 0 HG22 ILE A 98 12.410 4.967 -3.263 1.00 0.00 H new ATOM 0 HG23 ILE A 98 13.074 5.249 -4.890 1.00 0.00 H new ATOM 0 HD11 ILE A 98 11.442 5.242 -8.222 1.00 0.00 H new ATOM 0 HD12 ILE A 98 12.561 5.641 -6.897 1.00 0.00 H new ATOM 0 HD13 ILE A 98 12.328 3.945 -7.385 1.00 0.00 H new ATOM 122 N CYS A 99 9.824 1.390 -4.344 1.00 0.00 N ATOM 123 CA CYS A 99 8.693 0.510 -4.619 1.00 0.00 C ATOM 124 C CYS A 99 7.662 1.221 -5.491 1.00 0.00 C ATOM 125 O CYS A 99 7.336 2.384 -5.250 1.00 0.00 O ATOM 126 CB CYS A 99 8.037 0.065 -3.310 1.00 0.00 C ATOM 127 SG CYS A 99 9.170 -0.751 -2.142 1.00 0.00 S ATOM 0 H CYS A 99 10.021 1.527 -3.353 1.00 0.00 H new ATOM 0 HA CYS A 99 9.064 -0.366 -5.151 1.00 0.00 H new ATOM 0 HB2 CYS A 99 7.598 0.936 -2.823 1.00 0.00 H new ATOM 0 HB3 CYS A 99 7.219 -0.617 -3.541 1.00 0.00 H new ATOM 132 N SER A 100 7.155 0.518 -6.503 1.00 0.00 N ATOM 133 CA SER A 100 6.159 1.081 -7.414 1.00 0.00 C ATOM 134 C SER A 100 5.112 1.886 -6.650 1.00 0.00 C ATOM 135 O SER A 100 4.510 1.393 -5.696 1.00 0.00 O ATOM 136 CB SER A 100 5.479 -0.034 -8.209 1.00 0.00 C ATOM 137 OG SER A 100 4.821 -0.949 -7.349 1.00 0.00 O ATOM 0 H SER A 100 7.418 -0.445 -6.713 1.00 0.00 H new ATOM 0 HA SER A 100 6.673 1.751 -8.103 1.00 0.00 H new ATOM 0 HB2 SER A 100 4.759 0.398 -8.904 1.00 0.00 H new ATOM 0 HB3 SER A 100 6.221 -0.562 -8.807 1.00 0.00 H new ATOM 0 HG SER A 100 4.418 -0.462 -6.600 1.00 0.00 H new ATOM 143 N LYS A 101 4.899 3.130 -7.070 1.00 0.00 N ATOM 144 CA LYS A 101 3.925 3.996 -6.417 1.00 0.00 C ATOM 145 C LYS A 101 2.500 3.647 -6.838 1.00 0.00 C ATOM 146 O LYS A 101 1.573 4.428 -6.626 1.00 0.00 O ATOM 147 CB LYS A 101 4.219 5.463 -6.737 1.00 0.00 C ATOM 148 CG LYS A 101 4.166 5.785 -8.222 1.00 0.00 C ATOM 149 CD LYS A 101 4.482 7.249 -8.489 1.00 0.00 C ATOM 150 CE LYS A 101 5.890 7.610 -8.041 1.00 0.00 C ATOM 151 NZ LYS A 101 6.209 9.038 -8.309 1.00 0.00 N ATOM 0 H LYS A 101 5.386 3.559 -7.857 1.00 0.00 H new ATOM 0 HA LYS A 101 4.009 3.839 -5.342 1.00 0.00 H new ATOM 0 HB2 LYS A 101 3.500 6.092 -6.212 1.00 0.00 H new ATOM 0 HB3 LYS A 101 5.207 5.719 -6.353 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.877 5.155 -8.757 1.00 0.00 H new ATOM 0 HG3 LYS A 101 3.175 5.549 -8.611 1.00 0.00 H new ATOM 0 HD2 LYS A 101 4.374 7.457 -9.554 1.00 0.00 H new ATOM 0 HD3 LYS A 101 3.761 7.878 -7.967 1.00 0.00 H new ATOM 0 HE2 LYS A 101 5.994 7.409 -6.975 1.00 0.00 H new ATOM 0 HE3 LYS A 101 6.609 6.974 -8.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 7.177 9.243 -7.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 6.134 9.225 -9.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 5.539 9.646 -7.796 1.00 0.00 H new ATOM 165 N SER A 102 2.326 2.465 -7.422 1.00 0.00 N ATOM 166 CA SER A 102 1.009 2.016 -7.858 1.00 0.00 C ATOM 167 C SER A 102 0.115 1.748 -6.654 1.00 0.00 C ATOM 168 O SER A 102 -1.063 2.107 -6.646 1.00 0.00 O ATOM 169 CB SER A 102 1.131 0.754 -8.712 1.00 0.00 C ATOM 170 OG SER A 102 1.905 0.995 -9.875 1.00 0.00 O ATOM 0 H SER A 102 3.080 1.802 -7.604 1.00 0.00 H new ATOM 0 HA SER A 102 0.559 2.804 -8.461 1.00 0.00 H new ATOM 0 HB2 SER A 102 1.589 -0.042 -8.125 1.00 0.00 H new ATOM 0 HB3 SER A 102 0.138 0.408 -8.998 1.00 0.00 H new ATOM 0 HG SER A 102 1.969 0.171 -10.402 1.00 0.00 H new ATOM 176 N TYR A 103 0.690 1.117 -5.638 1.00 0.00 N ATOM 177 CA TYR A 103 -0.037 0.795 -4.416 1.00 0.00 C ATOM 178 C TYR A 103 -0.516 2.066 -3.722 1.00 0.00 C ATOM 179 O TYR A 103 -1.670 2.163 -3.306 1.00 0.00 O ATOM 180 CB TYR A 103 0.855 -0.016 -3.470 1.00 0.00 C ATOM 181 CG TYR A 103 1.217 -1.394 -3.986 1.00 0.00 C ATOM 182 CD1 TYR A 103 1.672 -1.580 -5.287 1.00 0.00 C ATOM 183 CD2 TYR A 103 1.104 -2.510 -3.167 1.00 0.00 C ATOM 184 CE1 TYR A 103 2.003 -2.837 -5.754 1.00 0.00 C ATOM 185 CE2 TYR A 103 1.434 -3.770 -3.628 1.00 0.00 C ATOM 186 CZ TYR A 103 1.882 -3.928 -4.922 1.00 0.00 C ATOM 187 OH TYR A 103 2.212 -5.182 -5.384 1.00 0.00 O ATOM 0 H TYR A 103 1.665 0.816 -5.637 1.00 0.00 H new ATOM 0 HA TYR A 103 -0.909 0.198 -4.682 1.00 0.00 H new ATOM 0 HB2 TYR A 103 1.772 0.543 -3.285 1.00 0.00 H new ATOM 0 HB3 TYR A 103 0.347 -0.121 -2.511 1.00 0.00 H new ATOM 0 HD1 TYR A 103 1.768 -0.727 -5.943 1.00 0.00 H new ATOM 0 HD2 TYR A 103 0.752 -2.391 -2.153 1.00 0.00 H new ATOM 0 HE1 TYR A 103 2.355 -2.964 -6.767 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.341 -4.627 -2.978 1.00 0.00 H new ATOM 0 HH TYR A 103 2.815 -5.617 -4.746 1.00 0.00 H new ATOM 197 N LEU A 104 0.381 3.041 -3.607 1.00 0.00 N ATOM 198 CA LEU A 104 0.061 4.313 -2.970 1.00 0.00 C ATOM 199 C LEU A 104 -1.000 5.071 -3.765 1.00 0.00 C ATOM 200 O LEU A 104 -1.789 5.829 -3.202 1.00 0.00 O ATOM 201 CB LEU A 104 1.320 5.172 -2.835 1.00 0.00 C ATOM 202 CG LEU A 104 2.441 4.556 -1.993 1.00 0.00 C ATOM 203 CD1 LEU A 104 3.665 5.458 -1.995 1.00 0.00 C ATOM 204 CD2 LEU A 104 1.964 4.307 -0.569 1.00 0.00 C ATOM 0 H LEU A 104 1.340 2.973 -3.949 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.336 4.101 -1.977 1.00 0.00 H new ATOM 0 HB2 LEU A 104 1.708 5.379 -3.832 1.00 0.00 H new ATOM 0 HB3 LEU A 104 1.042 6.130 -2.396 1.00 0.00 H new ATOM 0 HG LEU A 104 2.718 3.599 -2.435 1.00 0.00 H new ATOM 0 HD11 LEU A 104 4.452 5.005 -1.392 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.020 5.587 -3.017 1.00 0.00 H new ATOM 0 HD13 LEU A 104 3.402 6.430 -1.577 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.774 3.869 0.015 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.660 5.251 -0.117 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.116 3.622 -0.584 1.00 0.00 H new ATOM 216 N THR A 105 -1.000 4.868 -5.078 1.00 0.00 N ATOM 217 CA THR A 105 -1.952 5.537 -5.958 1.00 0.00 C ATOM 218 C THR A 105 -3.202 4.693 -6.179 1.00 0.00 C ATOM 219 O THR A 105 -3.408 4.139 -7.260 1.00 0.00 O ATOM 220 CB THR A 105 -1.319 5.864 -7.324 1.00 0.00 C ATOM 221 OG1 THR A 105 -0.837 4.666 -7.942 1.00 0.00 O ATOM 222 CG2 THR A 105 -0.175 6.856 -7.169 1.00 0.00 C ATOM 0 H THR A 105 -0.350 4.245 -5.557 1.00 0.00 H new ATOM 0 HA THR A 105 -2.234 6.465 -5.461 1.00 0.00 H new ATOM 0 HB THR A 105 -2.086 6.314 -7.954 1.00 0.00 H new ATOM 0 HG1 THR A 105 0.048 4.447 -7.584 1.00 0.00 H new ATOM 0 HG21 THR A 105 0.255 7.071 -8.147 1.00 0.00 H new ATOM 0 HG22 THR A 105 -0.551 7.779 -6.727 1.00 0.00 H new ATOM 0 HG23 THR A 105 0.591 6.430 -6.521 1.00 0.00 H new ATOM 230 N LEU A 106 -4.041 4.603 -5.151 1.00 0.00 N ATOM 231 CA LEU A 106 -5.275 3.832 -5.236 1.00 0.00 C ATOM 232 C LEU A 106 -6.432 4.750 -5.624 1.00 0.00 C ATOM 233 O LEU A 106 -6.684 5.756 -4.960 1.00 0.00 O ATOM 234 CB LEU A 106 -5.566 3.159 -3.889 1.00 0.00 C ATOM 235 CG LEU A 106 -6.364 1.851 -3.955 1.00 0.00 C ATOM 236 CD1 LEU A 106 -6.664 1.344 -2.553 1.00 0.00 C ATOM 237 CD2 LEU A 106 -7.652 2.029 -4.744 1.00 0.00 C ATOM 0 H LEU A 106 -3.888 5.055 -4.250 1.00 0.00 H new ATOM 0 HA LEU A 106 -5.163 3.060 -5.998 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -4.617 2.959 -3.392 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -6.112 3.864 -3.262 1.00 0.00 H new ATOM 0 HG LEU A 106 -5.755 1.111 -4.474 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.231 0.415 -2.616 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -5.729 1.163 -2.024 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -7.248 2.090 -2.014 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -8.195 1.084 -4.772 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -8.270 2.788 -4.265 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -7.415 2.342 -5.761 1.00 0.00 H new ATOM 249 N GLU A 107 -7.127 4.408 -6.707 1.00 0.00 N ATOM 250 CA GLU A 107 -8.247 5.218 -7.182 1.00 0.00 C ATOM 251 C GLU A 107 -9.527 4.907 -6.408 1.00 0.00 C ATOM 252 O GLU A 107 -10.628 4.950 -6.957 1.00 0.00 O ATOM 253 CB GLU A 107 -8.459 4.992 -8.683 1.00 0.00 C ATOM 254 CG GLU A 107 -9.502 5.909 -9.305 1.00 0.00 C ATOM 255 CD GLU A 107 -9.669 5.679 -10.794 1.00 0.00 C ATOM 256 OE1 GLU A 107 -8.677 5.845 -11.535 1.00 0.00 O ATOM 257 OE2 GLU A 107 -10.790 5.331 -11.219 1.00 0.00 O ATOM 0 H GLU A 107 -6.936 3.579 -7.270 1.00 0.00 H new ATOM 0 HA GLU A 107 -8.004 6.267 -7.011 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -7.510 5.135 -9.199 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -8.757 3.956 -8.846 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -10.459 5.754 -8.808 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -9.217 6.947 -9.131 1.00 0.00 H new ATOM 264 N ASN A 108 -9.375 4.614 -5.122 1.00 0.00 N ATOM 265 CA ASN A 108 -10.512 4.312 -4.259 1.00 0.00 C ATOM 266 C ASN A 108 -10.127 4.482 -2.794 1.00 0.00 C ATOM 267 O ASN A 108 -10.833 5.134 -2.023 1.00 0.00 O ATOM 268 CB ASN A 108 -11.022 2.878 -4.480 1.00 0.00 C ATOM 269 CG ASN A 108 -11.292 2.547 -5.936 1.00 0.00 C ATOM 270 OD1 ASN A 108 -10.365 2.341 -6.720 1.00 0.00 O ATOM 271 ND2 ASN A 108 -12.564 2.507 -6.309 1.00 0.00 N ATOM 0 H ASN A 108 -8.471 4.579 -4.651 1.00 0.00 H new ATOM 0 HA ASN A 108 -11.309 5.010 -4.516 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -10.287 2.175 -4.087 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -11.938 2.735 -3.908 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -12.805 2.299 -7.278 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -13.301 2.684 -5.627 1.00 0.00 H new ATOM 278 N GLY A 109 -9.002 3.885 -2.417 1.00 0.00 N ATOM 279 CA GLY A 109 -8.536 3.973 -1.048 1.00 0.00 C ATOM 280 C GLY A 109 -7.694 5.203 -0.789 1.00 0.00 C ATOM 281 O GLY A 109 -7.855 6.232 -1.446 1.00 0.00 O ATOM 0 H GLY A 109 -8.404 3.340 -3.038 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -9.395 3.979 -0.377 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -7.953 3.083 -0.810 1.00 0.00 H new ATOM 285 N LYS A 110 -6.794 5.086 0.176 1.00 0.00 N ATOM 286 CA LYS A 110 -5.908 6.179 0.548 1.00 0.00 C ATOM 287 C LYS A 110 -4.520 5.652 0.887 1.00 0.00 C ATOM 288 O LYS A 110 -3.512 6.233 0.491 1.00 0.00 O ATOM 289 CB LYS A 110 -6.489 6.934 1.743 1.00 0.00 C ATOM 290 CG LYS A 110 -5.586 8.029 2.281 1.00 0.00 C ATOM 291 CD LYS A 110 -6.171 8.649 3.537 1.00 0.00 C ATOM 292 CE LYS A 110 -5.227 9.669 4.151 1.00 0.00 C ATOM 293 NZ LYS A 110 -5.790 10.270 5.391 1.00 0.00 N ATOM 0 H LYS A 110 -6.657 4.235 0.721 1.00 0.00 H new ATOM 0 HA LYS A 110 -5.820 6.860 -0.298 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -7.443 7.374 1.452 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -6.696 6.223 2.543 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -4.600 7.618 2.499 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -5.449 8.798 1.521 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -7.120 9.129 3.298 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -6.384 7.866 4.265 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -4.274 9.191 4.379 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -5.022 10.457 3.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -5.116 10.960 5.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -6.686 10.748 5.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -5.962 9.522 6.093 1.00 0.00 H new ATOM 307 N VAL A 111 -4.502 4.540 1.621 1.00 0.00 N ATOM 308 CA VAL A 111 -3.276 3.865 2.045 1.00 0.00 C ATOM 309 C VAL A 111 -2.252 4.820 2.662 1.00 0.00 C ATOM 310 O VAL A 111 -1.724 5.711 1.999 1.00 0.00 O ATOM 311 CB VAL A 111 -2.641 3.045 0.900 1.00 0.00 C ATOM 312 CG1 VAL A 111 -2.247 3.918 -0.280 1.00 0.00 C ATOM 313 CG2 VAL A 111 -1.443 2.256 1.407 1.00 0.00 C ATOM 0 H VAL A 111 -5.351 4.076 1.943 1.00 0.00 H new ATOM 0 HA VAL A 111 -3.578 3.171 2.830 1.00 0.00 H new ATOM 0 HB VAL A 111 -3.398 2.346 0.545 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -1.805 3.298 -1.060 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -3.131 4.420 -0.673 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -1.521 4.664 0.045 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -1.010 1.685 0.586 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.696 2.943 1.805 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -1.764 1.573 2.194 1.00 0.00 H new ATOM 323 N PHE A 112 -1.977 4.609 3.945 1.00 0.00 N ATOM 324 CA PHE A 112 -1.020 5.428 4.679 1.00 0.00 C ATOM 325 C PHE A 112 0.414 5.073 4.297 1.00 0.00 C ATOM 326 O PHE A 112 0.810 3.909 4.349 1.00 0.00 O ATOM 327 CB PHE A 112 -1.216 5.241 6.188 1.00 0.00 C ATOM 328 CG PHE A 112 -2.495 5.830 6.718 1.00 0.00 C ATOM 329 CD1 PHE A 112 -3.714 5.543 6.121 1.00 0.00 C ATOM 330 CD2 PHE A 112 -2.478 6.672 7.821 1.00 0.00 C ATOM 331 CE1 PHE A 112 -4.887 6.085 6.610 1.00 0.00 C ATOM 332 CE2 PHE A 112 -3.649 7.214 8.315 1.00 0.00 C ATOM 333 CZ PHE A 112 -4.855 6.921 7.709 1.00 0.00 C ATOM 0 H PHE A 112 -2.408 3.871 4.502 1.00 0.00 H new ATOM 0 HA PHE A 112 -1.197 6.471 4.417 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -1.197 4.175 6.417 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -0.375 5.695 6.712 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -3.746 4.888 5.263 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -1.538 6.906 8.299 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -5.828 5.855 6.133 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -3.621 7.867 9.175 1.00 0.00 H new ATOM 0 HZ PHE A 112 -5.771 7.345 8.094 1.00 0.00 H new ATOM 343 N LEU A 113 1.190 6.085 3.921 1.00 0.00 N ATOM 344 CA LEU A 113 2.582 5.879 3.538 1.00 0.00 C ATOM 345 C LEU A 113 3.508 6.017 4.742 1.00 0.00 C ATOM 346 O LEU A 113 3.259 6.818 5.643 1.00 0.00 O ATOM 347 CB LEU A 113 2.997 6.871 2.447 1.00 0.00 C ATOM 348 CG LEU A 113 4.458 6.763 1.990 1.00 0.00 C ATOM 349 CD1 LEU A 113 4.756 5.366 1.467 1.00 0.00 C ATOM 350 CD2 LEU A 113 4.763 7.808 0.926 1.00 0.00 C ATOM 0 H LEU A 113 0.878 7.055 3.873 1.00 0.00 H new ATOM 0 HA LEU A 113 2.670 4.866 3.146 1.00 0.00 H new ATOM 0 HB2 LEU A 113 2.350 6.727 1.582 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.821 7.883 2.812 1.00 0.00 H new ATOM 0 HG LEU A 113 5.100 6.950 2.851 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.797 5.311 1.148 1.00 0.00 H new ATOM 0 HD12 LEU A 113 4.580 4.636 2.257 1.00 0.00 H new ATOM 0 HD13 LEU A 113 4.105 5.148 0.620 1.00 0.00 H new ATOM 0 HD21 LEU A 113 5.803 7.717 0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 113 4.111 7.653 0.066 1.00 0.00 H new ATOM 0 HD23 LEU A 113 4.593 8.804 1.335 1.00 0.00 H new ATOM 362 N THR A 114 4.581 5.235 4.741 1.00 0.00 N ATOM 363 CA THR A 114 5.558 5.264 5.822 1.00 0.00 C ATOM 364 C THR A 114 6.900 4.735 5.324 1.00 0.00 C ATOM 365 O THR A 114 7.477 3.810 5.896 1.00 0.00 O ATOM 366 CB THR A 114 5.089 4.432 7.034 1.00 0.00 C ATOM 367 OG1 THR A 114 3.760 4.817 7.407 1.00 0.00 O ATOM 368 CG2 THR A 114 6.020 4.628 8.223 1.00 0.00 C ATOM 0 H THR A 114 4.797 4.569 3.999 1.00 0.00 H new ATOM 0 HA THR A 114 5.667 6.299 6.145 1.00 0.00 H new ATOM 0 HB THR A 114 5.103 3.381 6.747 1.00 0.00 H new ATOM 0 HG1 THR A 114 3.469 4.284 8.176 1.00 0.00 H new ATOM 0 HG21 THR A 114 5.667 4.031 9.064 1.00 0.00 H new ATOM 0 HG22 THR A 114 7.028 4.313 7.952 1.00 0.00 H new ATOM 0 HG23 THR A 114 6.033 5.681 8.506 1.00 0.00 H new ATOM 376 N GLY A 115 7.382 5.334 4.238 1.00 0.00 N ATOM 377 CA GLY A 115 8.639 4.931 3.655 1.00 0.00 C ATOM 378 C GLY A 115 8.808 5.480 2.254 1.00 0.00 C ATOM 379 O GLY A 115 8.148 5.026 1.318 1.00 0.00 O ATOM 0 H GLY A 115 6.914 6.099 3.751 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.459 5.278 4.283 1.00 0.00 H new ATOM 0 HA3 GLY A 115 8.696 3.843 3.629 1.00 0.00 H new ATOM 383 N GLY A 116 9.689 6.459 2.111 1.00 0.00 N ATOM 384 CA GLY A 116 9.928 7.062 0.812 1.00 0.00 C ATOM 385 C GLY A 116 11.320 7.655 0.684 1.00 0.00 C ATOM 386 O GLY A 116 11.837 8.252 1.629 1.00 0.00 O ATOM 0 H GLY A 116 10.245 6.849 2.872 1.00 0.00 H new ATOM 0 HA2 GLY A 116 9.786 6.310 0.036 1.00 0.00 H new ATOM 0 HA3 GLY A 116 9.188 7.843 0.638 1.00 0.00 H new ATOM 390 N ASP A 117 11.923 7.483 -0.496 1.00 0.00 N ATOM 391 CA ASP A 117 13.265 7.994 -0.780 1.00 0.00 C ATOM 392 C ASP A 117 14.333 7.159 -0.071 1.00 0.00 C ATOM 393 O ASP A 117 15.176 7.687 0.655 1.00 0.00 O ATOM 394 CB ASP A 117 13.381 9.469 -0.375 1.00 0.00 C ATOM 395 CG ASP A 117 14.618 10.141 -0.945 1.00 0.00 C ATOM 396 OD1 ASP A 117 15.740 9.701 -0.622 1.00 0.00 O ATOM 397 OD2 ASP A 117 14.461 11.110 -1.717 1.00 0.00 O ATOM 0 H ASP A 117 11.495 6.987 -1.278 1.00 0.00 H new ATOM 0 HA ASP A 117 13.432 7.916 -1.854 1.00 0.00 H new ATOM 0 HB2 ASP A 117 12.494 10.005 -0.713 1.00 0.00 H new ATOM 0 HB3 ASP A 117 13.402 9.542 0.712 1.00 0.00 H new ATOM 402 N LEU A 118 14.288 5.847 -0.291 1.00 0.00 N ATOM 403 CA LEU A 118 15.246 4.921 0.311 1.00 0.00 C ATOM 404 C LEU A 118 15.651 3.842 -0.687 1.00 0.00 C ATOM 405 O LEU A 118 14.879 3.497 -1.580 1.00 0.00 O ATOM 406 CB LEU A 118 14.665 4.250 1.564 1.00 0.00 C ATOM 407 CG LEU A 118 14.655 5.098 2.839 1.00 0.00 C ATOM 408 CD1 LEU A 118 13.640 6.222 2.735 1.00 0.00 C ATOM 409 CD2 LEU A 118 14.363 4.226 4.051 1.00 0.00 C ATOM 0 H LEU A 118 13.592 5.398 -0.887 1.00 0.00 H new ATOM 0 HA LEU A 118 16.122 5.504 0.596 1.00 0.00 H new ATOM 0 HB2 LEU A 118 13.641 3.945 1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 118 15.233 3.341 1.761 1.00 0.00 H new ATOM 0 HG LEU A 118 15.642 5.545 2.960 1.00 0.00 H new ATOM 0 HD11 LEU A 118 13.652 6.810 3.653 1.00 0.00 H new ATOM 0 HD12 LEU A 118 13.892 6.863 1.890 1.00 0.00 H new ATOM 0 HD13 LEU A 118 12.645 5.801 2.587 1.00 0.00 H new ATOM 0 HD21 LEU A 118 14.359 4.842 4.950 1.00 0.00 H new ATOM 0 HD22 LEU A 118 13.389 3.752 3.932 1.00 0.00 H new ATOM 0 HD23 LEU A 118 15.132 3.458 4.141 1.00 0.00 H new ATOM 421 N PRO A 119 16.868 3.284 -0.545 1.00 0.00 N ATOM 422 CA PRO A 119 17.352 2.229 -1.437 1.00 0.00 C ATOM 423 C PRO A 119 16.406 1.035 -1.434 1.00 0.00 C ATOM 424 O PRO A 119 16.242 0.368 -0.412 1.00 0.00 O ATOM 425 CB PRO A 119 18.717 1.842 -0.852 1.00 0.00 C ATOM 426 CG PRO A 119 18.730 2.404 0.530 1.00 0.00 C ATOM 427 CD PRO A 119 17.852 3.621 0.494 1.00 0.00 C ATOM 0 HA PRO A 119 17.417 2.558 -2.474 1.00 0.00 H new ATOM 0 HB2 PRO A 119 18.845 0.760 -0.837 1.00 0.00 H new ATOM 0 HB3 PRO A 119 19.531 2.251 -1.450 1.00 0.00 H new ATOM 0 HG2 PRO A 119 18.357 1.676 1.250 1.00 0.00 H new ATOM 0 HG3 PRO A 119 19.744 2.664 0.835 1.00 0.00 H new ATOM 0 HD2 PRO A 119 17.376 3.805 1.457 1.00 0.00 H new ATOM 0 HD3 PRO A 119 18.416 4.519 0.241 1.00 0.00 H new ATOM 435 N ALA A 120 15.765 0.789 -2.573 1.00 0.00 N ATOM 436 CA ALA A 120 14.809 -0.304 -2.691 1.00 0.00 C ATOM 437 C ALA A 120 13.716 -0.152 -1.641 1.00 0.00 C ATOM 438 O ALA A 120 12.998 -1.103 -1.326 1.00 0.00 O ATOM 439 CB ALA A 120 15.509 -1.645 -2.548 1.00 0.00 C ATOM 0 H ALA A 120 15.891 1.333 -3.427 1.00 0.00 H new ATOM 0 HA ALA A 120 14.352 -0.267 -3.680 1.00 0.00 H new ATOM 0 HB1 ALA A 120 14.778 -2.448 -2.639 1.00 0.00 H new ATOM 0 HB2 ALA A 120 16.261 -1.748 -3.330 1.00 0.00 H new ATOM 0 HB3 ALA A 120 15.991 -1.702 -1.572 1.00 0.00 H new ATOM 445 N LEU A 121 13.606 1.063 -1.109 1.00 0.00 N ATOM 446 CA LEU A 121 12.618 1.389 -0.091 1.00 0.00 C ATOM 447 C LEU A 121 12.572 0.315 0.993 1.00 0.00 C ATOM 448 O LEU A 121 11.500 -0.094 1.437 1.00 0.00 O ATOM 449 CB LEU A 121 11.241 1.577 -0.731 1.00 0.00 C ATOM 450 CG LEU A 121 10.195 2.228 0.173 1.00 0.00 C ATOM 451 CD1 LEU A 121 10.748 3.503 0.790 1.00 0.00 C ATOM 452 CD2 LEU A 121 8.918 2.513 -0.601 1.00 0.00 C ATOM 0 H LEU A 121 14.201 1.848 -1.374 1.00 0.00 H new ATOM 0 HA LEU A 121 12.911 2.326 0.384 1.00 0.00 H new ATOM 0 HB2 LEU A 121 11.354 2.185 -1.628 1.00 0.00 H new ATOM 0 HB3 LEU A 121 10.869 0.604 -1.050 1.00 0.00 H new ATOM 0 HG LEU A 121 9.954 1.533 0.978 1.00 0.00 H new ATOM 0 HD11 LEU A 121 9.991 3.955 1.431 1.00 0.00 H new ATOM 0 HD12 LEU A 121 11.632 3.267 1.383 1.00 0.00 H new ATOM 0 HD13 LEU A 121 11.018 4.203 -0.001 1.00 0.00 H new ATOM 0 HD21 LEU A 121 8.187 2.976 0.061 1.00 0.00 H new ATOM 0 HD22 LEU A 121 9.137 3.188 -1.428 1.00 0.00 H new ATOM 0 HD23 LEU A 121 8.513 1.579 -0.992 1.00 0.00 H new ATOM 464 N ASP A 122 13.749 -0.138 1.411 1.00 0.00 N ATOM 465 CA ASP A 122 13.858 -1.166 2.440 1.00 0.00 C ATOM 466 C ASP A 122 13.277 -0.678 3.765 1.00 0.00 C ATOM 467 O ASP A 122 13.507 0.461 4.174 1.00 0.00 O ATOM 468 CB ASP A 122 15.324 -1.569 2.626 1.00 0.00 C ATOM 469 CG ASP A 122 15.498 -2.736 3.581 1.00 0.00 C ATOM 470 OD1 ASP A 122 14.478 -3.271 4.062 1.00 0.00 O ATOM 471 OD2 ASP A 122 16.658 -3.118 3.843 1.00 0.00 O ATOM 0 H ASP A 122 14.645 0.192 1.051 1.00 0.00 H new ATOM 0 HA ASP A 122 13.285 -2.035 2.116 1.00 0.00 H new ATOM 0 HB2 ASP A 122 15.749 -1.832 1.657 1.00 0.00 H new ATOM 0 HB3 ASP A 122 15.886 -0.713 2.999 1.00 0.00 H new ATOM 476 N GLY A 123 12.529 -1.551 4.431 1.00 0.00 N ATOM 477 CA GLY A 123 11.927 -1.203 5.706 1.00 0.00 C ATOM 478 C GLY A 123 10.783 -0.217 5.571 1.00 0.00 C ATOM 479 O GLY A 123 10.610 0.662 6.416 1.00 0.00 O ATOM 0 H GLY A 123 12.328 -2.498 4.109 1.00 0.00 H new ATOM 0 HA2 GLY A 123 11.563 -2.110 6.189 1.00 0.00 H new ATOM 0 HA3 GLY A 123 12.690 -0.779 6.358 1.00 0.00 H new ATOM 483 N ALA A 124 9.994 -0.369 4.513 1.00 0.00 N ATOM 484 CA ALA A 124 8.852 0.508 4.277 1.00 0.00 C ATOM 485 C ALA A 124 7.558 -0.147 4.747 1.00 0.00 C ATOM 486 O ALA A 124 7.378 -1.357 4.604 1.00 0.00 O ATOM 487 CB ALA A 124 8.752 0.867 2.806 1.00 0.00 C ATOM 0 H ALA A 124 10.124 -1.091 3.805 1.00 0.00 H new ATOM 0 HA ALA A 124 9.004 1.422 4.852 1.00 0.00 H new ATOM 0 HB1 ALA A 124 7.895 1.521 2.649 1.00 0.00 H new ATOM 0 HB2 ALA A 124 9.662 1.380 2.494 1.00 0.00 H new ATOM 0 HB3 ALA A 124 8.627 -0.042 2.217 1.00 0.00 H new ATOM 493 N ARG A 125 6.659 0.655 5.306 1.00 0.00 N ATOM 494 CA ARG A 125 5.382 0.142 5.791 1.00 0.00 C ATOM 495 C ARG A 125 4.225 0.998 5.289 1.00 0.00 C ATOM 496 O ARG A 125 4.312 2.224 5.265 1.00 0.00 O ATOM 497 CB ARG A 125 5.370 0.097 7.321 1.00 0.00 C ATOM 498 CG ARG A 125 6.413 -0.837 7.912 1.00 0.00 C ATOM 499 CD ARG A 125 6.328 -0.878 9.431 1.00 0.00 C ATOM 500 NE ARG A 125 6.589 0.428 10.033 1.00 0.00 N ATOM 501 CZ ARG A 125 7.758 1.059 9.953 1.00 0.00 C ATOM 502 NH1 ARG A 125 8.777 0.499 9.315 1.00 0.00 N ATOM 503 NH2 ARG A 125 7.909 2.249 10.518 1.00 0.00 N ATOM 0 H ARG A 125 6.789 1.658 5.435 1.00 0.00 H new ATOM 0 HA ARG A 125 5.258 -0.870 5.404 1.00 0.00 H new ATOM 0 HB2 ARG A 125 5.535 1.103 7.707 1.00 0.00 H new ATOM 0 HB3 ARG A 125 4.382 -0.215 7.659 1.00 0.00 H new ATOM 0 HG2 ARG A 125 6.273 -1.841 7.511 1.00 0.00 H new ATOM 0 HG3 ARG A 125 7.408 -0.510 7.611 1.00 0.00 H new ATOM 0 HD2 ARG A 125 5.338 -1.222 9.729 1.00 0.00 H new ATOM 0 HD3 ARG A 125 7.046 -1.603 9.814 1.00 0.00 H new ATOM 0 HE ARG A 125 5.832 0.882 10.544 1.00 0.00 H new ATOM 0 HH11 ARG A 125 8.666 -0.419 8.883 1.00 0.00 H new ATOM 0 HH12 ARG A 125 9.671 0.986 9.256 1.00 0.00 H new ATOM 0 HH21 ARG A 125 7.129 2.681 11.014 1.00 0.00 H new ATOM 0 HH22 ARG A 125 8.805 2.733 10.457 1.00 0.00 H new ATOM 517 N VAL A 126 3.141 0.342 4.885 1.00 0.00 N ATOM 518 CA VAL A 126 1.967 1.047 4.382 1.00 0.00 C ATOM 519 C VAL A 126 0.680 0.338 4.788 1.00 0.00 C ATOM 520 O VAL A 126 0.568 -0.885 4.676 1.00 0.00 O ATOM 521 CB VAL A 126 1.998 1.180 2.847 1.00 0.00 C ATOM 522 CG1 VAL A 126 3.186 2.022 2.405 1.00 0.00 C ATOM 523 CG2 VAL A 126 2.034 -0.192 2.190 1.00 0.00 C ATOM 0 H VAL A 126 3.051 -0.674 4.896 1.00 0.00 H new ATOM 0 HA VAL A 126 1.989 2.042 4.826 1.00 0.00 H new ATOM 0 HB VAL A 126 1.086 1.685 2.529 1.00 0.00 H new ATOM 0 HG11 VAL A 126 3.190 2.104 1.318 1.00 0.00 H new ATOM 0 HG12 VAL A 126 3.110 3.017 2.843 1.00 0.00 H new ATOM 0 HG13 VAL A 126 4.110 1.549 2.736 1.00 0.00 H new ATOM 0 HG21 VAL A 126 2.056 -0.076 1.106 1.00 0.00 H new ATOM 0 HG22 VAL A 126 2.926 -0.728 2.515 1.00 0.00 H new ATOM 0 HG23 VAL A 126 1.147 -0.756 2.477 1.00 0.00 H new ATOM 533 N GLU A 127 -0.291 1.115 5.257 1.00 0.00 N ATOM 534 CA GLU A 127 -1.575 0.568 5.677 1.00 0.00 C ATOM 535 C GLU A 127 -2.687 1.051 4.751 1.00 0.00 C ATOM 536 O GLU A 127 -3.096 2.208 4.812 1.00 0.00 O ATOM 537 CB GLU A 127 -1.883 0.987 7.116 1.00 0.00 C ATOM 538 CG GLU A 127 -3.107 0.301 7.702 1.00 0.00 C ATOM 539 CD GLU A 127 -2.931 -1.201 7.844 1.00 0.00 C ATOM 540 OE1 GLU A 127 -1.834 -1.706 7.526 1.00 0.00 O ATOM 541 OE2 GLU A 127 -3.891 -1.871 8.278 1.00 0.00 O ATOM 0 H GLU A 127 -0.212 2.127 5.356 1.00 0.00 H new ATOM 0 HA GLU A 127 -1.520 -0.519 5.626 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -1.019 0.766 7.742 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -2.032 2.066 7.147 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -3.325 0.730 8.680 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -3.969 0.502 7.066 1.00 0.00 H new ATOM 548 N PHE A 128 -3.170 0.161 3.892 1.00 0.00 N ATOM 549 CA PHE A 128 -4.229 0.510 2.954 1.00 0.00 C ATOM 550 C PHE A 128 -5.553 0.757 3.668 1.00 0.00 C ATOM 551 O PHE A 128 -5.860 0.121 4.677 1.00 0.00 O ATOM 552 CB PHE A 128 -4.408 -0.579 1.894 1.00 0.00 C ATOM 553 CG PHE A 128 -3.218 -0.747 0.992 1.00 0.00 C ATOM 554 CD1 PHE A 128 -2.101 -1.446 1.420 1.00 0.00 C ATOM 555 CD2 PHE A 128 -3.217 -0.201 -0.282 1.00 0.00 C ATOM 556 CE1 PHE A 128 -1.006 -1.599 0.592 1.00 0.00 C ATOM 557 CE2 PHE A 128 -2.124 -0.350 -1.114 1.00 0.00 C ATOM 558 CZ PHE A 128 -1.017 -1.052 -0.677 1.00 0.00 C ATOM 0 H PHE A 128 -2.846 -0.804 3.826 1.00 0.00 H new ATOM 0 HA PHE A 128 -3.926 1.435 2.463 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -4.612 -1.527 2.391 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -5.282 -0.342 1.287 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -2.086 -1.876 2.411 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -4.081 0.347 -0.628 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -0.141 -2.146 0.936 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -2.135 0.081 -2.104 1.00 0.00 H new ATOM 0 HZ PHE A 128 -0.162 -1.173 -1.326 1.00 0.00 H new ATOM 568 N ARG A 129 -6.333 1.683 3.123 1.00 0.00 N ATOM 569 CA ARG A 129 -7.634 2.028 3.679 1.00 0.00 C ATOM 570 C ARG A 129 -8.538 2.561 2.575 1.00 0.00 C ATOM 571 O ARG A 129 -8.173 3.491 1.858 1.00 0.00 O ATOM 572 CB ARG A 129 -7.482 3.072 4.788 1.00 0.00 C ATOM 573 CG ARG A 129 -8.793 3.473 5.433 1.00 0.00 C ATOM 574 CD ARG A 129 -8.585 4.507 6.528 1.00 0.00 C ATOM 575 NE ARG A 129 -9.844 4.904 7.156 1.00 0.00 N ATOM 576 CZ ARG A 129 -10.626 4.073 7.838 1.00 0.00 C ATOM 577 NH1 ARG A 129 -10.277 2.803 7.997 1.00 0.00 N ATOM 578 NH2 ARG A 129 -11.759 4.513 8.368 1.00 0.00 N ATOM 0 H ARG A 129 -6.083 2.213 2.288 1.00 0.00 H new ATOM 0 HA ARG A 129 -8.083 1.133 4.109 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -6.815 2.679 5.556 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -7.004 3.960 4.375 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -9.464 3.876 4.674 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -9.278 2.591 5.852 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -7.914 4.102 7.286 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -8.097 5.386 6.108 1.00 0.00 H new ATOM 0 HE ARG A 129 -10.140 5.876 7.066 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -9.405 2.460 7.595 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -10.881 2.170 8.521 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -12.031 5.489 8.252 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -12.359 3.875 8.891 1.00 0.00 H new ATOM 592 N CYS A 130 -9.709 1.954 2.430 1.00 0.00 N ATOM 593 CA CYS A 130 -10.653 2.354 1.393 1.00 0.00 C ATOM 594 C CYS A 130 -11.596 3.448 1.885 1.00 0.00 C ATOM 595 O CYS A 130 -12.064 3.413 3.023 1.00 0.00 O ATOM 596 CB CYS A 130 -11.464 1.145 0.925 1.00 0.00 C ATOM 597 SG CYS A 130 -10.448 -0.271 0.387 1.00 0.00 S ATOM 0 H CYS A 130 -10.028 1.183 3.017 1.00 0.00 H new ATOM 0 HA CYS A 130 -10.078 2.753 0.558 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -12.116 0.823 1.736 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -12.108 1.450 0.100 1.00 0.00 H new ATOM 602 N ASP A 131 -11.874 4.412 1.011 1.00 0.00 N ATOM 603 CA ASP A 131 -12.770 5.516 1.337 1.00 0.00 C ATOM 604 C ASP A 131 -14.117 4.991 1.828 1.00 0.00 C ATOM 605 O ASP A 131 -14.462 3.834 1.585 1.00 0.00 O ATOM 606 CB ASP A 131 -12.976 6.409 0.110 1.00 0.00 C ATOM 607 CG ASP A 131 -13.519 5.646 -1.083 1.00 0.00 C ATOM 608 OD1 ASP A 131 -13.653 4.408 -0.986 1.00 0.00 O ATOM 609 OD2 ASP A 131 -13.799 6.285 -2.118 1.00 0.00 O ATOM 0 H ASP A 131 -11.489 4.450 0.067 1.00 0.00 H new ATOM 0 HA ASP A 131 -12.314 6.103 2.134 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -13.663 7.216 0.364 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -12.027 6.872 -0.161 1.00 0.00 H new ATOM 614 N PRO A 132 -14.902 5.835 2.525 1.00 0.00 N ATOM 615 CA PRO A 132 -16.216 5.452 3.042 1.00 0.00 C ATOM 616 C PRO A 132 -17.038 4.697 2.003 1.00 0.00 C ATOM 617 O PRO A 132 -16.840 4.877 0.801 1.00 0.00 O ATOM 618 CB PRO A 132 -16.886 6.792 3.392 1.00 0.00 C ATOM 619 CG PRO A 132 -15.944 7.860 2.929 1.00 0.00 C ATOM 620 CD PRO A 132 -14.585 7.227 2.858 1.00 0.00 C ATOM 0 HA PRO A 132 -16.135 4.778 3.895 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -17.853 6.885 2.898 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -17.066 6.869 4.464 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -16.244 8.246 1.955 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -15.944 8.703 3.620 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -13.959 7.694 2.098 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -14.050 7.306 3.804 1.00 0.00 H new ATOM 628 N ASP A 133 -17.941 3.839 2.479 1.00 0.00 N ATOM 629 CA ASP A 133 -18.792 3.032 1.603 1.00 0.00 C ATOM 630 C ASP A 133 -18.031 1.819 1.069 1.00 0.00 C ATOM 631 O ASP A 133 -18.623 0.775 0.801 1.00 0.00 O ATOM 632 CB ASP A 133 -19.342 3.866 0.441 1.00 0.00 C ATOM 633 CG ASP A 133 -20.232 3.059 -0.484 1.00 0.00 C ATOM 634 OD1 ASP A 133 -21.267 2.543 -0.011 1.00 0.00 O ATOM 635 OD2 ASP A 133 -19.895 2.942 -1.681 1.00 0.00 O ATOM 0 H ASP A 133 -18.103 3.684 3.474 1.00 0.00 H new ATOM 0 HA ASP A 133 -19.634 2.679 2.198 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -19.907 4.709 0.839 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -18.511 4.280 -0.130 1.00 0.00 H new ATOM 640 N PHE A 134 -16.715 1.958 0.923 1.00 0.00 N ATOM 641 CA PHE A 134 -15.884 0.863 0.428 1.00 0.00 C ATOM 642 C PHE A 134 -15.061 0.256 1.560 1.00 0.00 C ATOM 643 O PHE A 134 -14.431 0.976 2.335 1.00 0.00 O ATOM 644 CB PHE A 134 -14.946 1.349 -0.680 1.00 0.00 C ATOM 645 CG PHE A 134 -15.651 1.964 -1.856 1.00 0.00 C ATOM 646 CD1 PHE A 134 -16.188 3.238 -1.772 1.00 0.00 C ATOM 647 CD2 PHE A 134 -15.775 1.264 -3.044 1.00 0.00 C ATOM 648 CE1 PHE A 134 -16.836 3.803 -2.853 1.00 0.00 C ATOM 649 CE2 PHE A 134 -16.422 1.823 -4.128 1.00 0.00 C ATOM 650 CZ PHE A 134 -16.954 3.095 -4.033 1.00 0.00 C ATOM 0 H PHE A 134 -16.203 2.813 1.139 1.00 0.00 H new ATOM 0 HA PHE A 134 -16.549 0.101 0.021 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -14.255 2.081 -0.261 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -14.347 0.508 -1.029 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -16.099 3.796 -0.851 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -15.361 0.270 -3.124 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -17.250 4.797 -2.776 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -16.512 1.267 -5.049 1.00 0.00 H new ATOM 0 HZ PHE A 134 -17.461 3.534 -4.879 1.00 0.00 H new ATOM 660 N HIS A 135 -15.067 -1.071 1.649 1.00 0.00 N ATOM 661 CA HIS A 135 -14.316 -1.767 2.687 1.00 0.00 C ATOM 662 C HIS A 135 -13.156 -2.563 2.090 1.00 0.00 C ATOM 663 O HIS A 135 -13.308 -3.238 1.070 1.00 0.00 O ATOM 664 CB HIS A 135 -15.236 -2.689 3.492 1.00 0.00 C ATOM 665 CG HIS A 135 -15.927 -3.733 2.669 1.00 0.00 C ATOM 666 ND1 HIS A 135 -16.774 -3.432 1.623 1.00 0.00 N ATOM 667 CD2 HIS A 135 -15.898 -5.084 2.750 1.00 0.00 C ATOM 668 CE1 HIS A 135 -17.235 -4.553 1.096 1.00 0.00 C ATOM 669 NE2 HIS A 135 -16.719 -5.568 1.762 1.00 0.00 N ATOM 0 H HIS A 135 -15.582 -1.684 1.017 1.00 0.00 H new ATOM 0 HA HIS A 135 -13.901 -1.015 3.358 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -14.650 -3.182 4.268 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -15.988 -2.083 3.997 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -15.334 -5.671 3.460 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -17.918 -4.626 0.262 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -16.901 -6.554 1.573 1.00 0.00 H new ATOM 678 N LEU A 136 -11.997 -2.469 2.738 1.00 0.00 N ATOM 679 CA LEU A 136 -10.796 -3.169 2.291 1.00 0.00 C ATOM 680 C LEU A 136 -10.856 -4.648 2.665 1.00 0.00 C ATOM 681 O LEU A 136 -11.139 -4.997 3.811 1.00 0.00 O ATOM 682 CB LEU A 136 -9.558 -2.513 2.907 1.00 0.00 C ATOM 683 CG LEU A 136 -8.228 -3.222 2.641 1.00 0.00 C ATOM 684 CD1 LEU A 136 -8.016 -3.443 1.151 1.00 0.00 C ATOM 685 CD2 LEU A 136 -7.082 -2.418 3.230 1.00 0.00 C ATOM 0 H LEU A 136 -11.865 -1.910 3.581 1.00 0.00 H new ATOM 0 HA LEU A 136 -10.736 -3.100 1.205 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -9.486 -1.492 2.531 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -9.704 -2.446 3.985 1.00 0.00 H new ATOM 0 HG LEU A 136 -8.257 -4.199 3.123 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -7.064 -3.948 0.990 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -8.825 -4.058 0.756 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -8.008 -2.481 0.638 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -6.140 -2.931 3.035 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -7.058 -1.429 2.772 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -7.224 -2.316 4.306 1.00 0.00 H new ATOM 697 N VAL A 137 -10.602 -5.515 1.687 1.00 0.00 N ATOM 698 CA VAL A 137 -10.642 -6.957 1.913 1.00 0.00 C ATOM 699 C VAL A 137 -9.458 -7.669 1.258 1.00 0.00 C ATOM 700 O VAL A 137 -9.635 -8.413 0.292 1.00 0.00 O ATOM 701 CB VAL A 137 -11.947 -7.567 1.363 1.00 0.00 C ATOM 702 CG1 VAL A 137 -12.061 -9.036 1.746 1.00 0.00 C ATOM 703 CG2 VAL A 137 -13.154 -6.784 1.855 1.00 0.00 C ATOM 0 H VAL A 137 -10.367 -5.244 0.732 1.00 0.00 H new ATOM 0 HA VAL A 137 -10.591 -7.102 2.992 1.00 0.00 H new ATOM 0 HB VAL A 137 -11.921 -7.504 0.275 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -12.989 -9.445 1.347 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -11.215 -9.586 1.334 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -12.060 -9.130 2.832 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -14.065 -7.230 1.456 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -13.185 -6.809 2.944 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -13.079 -5.750 1.518 1.00 0.00 H new ATOM 713 N GLY A 138 -8.250 -7.453 1.775 1.00 0.00 N ATOM 714 CA GLY A 138 -7.095 -8.111 1.194 1.00 0.00 C ATOM 715 C GLY A 138 -5.789 -7.707 1.841 1.00 0.00 C ATOM 716 O GLY A 138 -5.658 -7.742 3.063 1.00 0.00 O ATOM 0 H GLY A 138 -8.054 -6.846 2.571 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -7.218 -9.190 1.282 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -7.052 -7.881 0.129 1.00 0.00 H new ATOM 720 N SER A 139 -4.821 -7.335 1.006 1.00 0.00 N ATOM 721 CA SER A 139 -3.504 -6.919 1.475 1.00 0.00 C ATOM 722 C SER A 139 -3.571 -5.571 2.181 1.00 0.00 C ATOM 723 O SER A 139 -2.971 -4.591 1.737 1.00 0.00 O ATOM 724 CB SER A 139 -2.528 -6.845 0.301 1.00 0.00 C ATOM 725 OG SER A 139 -1.275 -6.333 0.714 1.00 0.00 O ATOM 0 H SER A 139 -4.928 -7.314 -0.008 1.00 0.00 H new ATOM 0 HA SER A 139 -3.151 -7.661 2.191 1.00 0.00 H new ATOM 0 HB2 SER A 139 -2.395 -7.838 -0.129 1.00 0.00 H new ATOM 0 HB3 SER A 139 -2.943 -6.211 -0.482 1.00 0.00 H new ATOM 0 HG SER A 139 -1.399 -5.445 1.109 1.00 0.00 H new ATOM 731 N SER A 140 -4.308 -5.529 3.281 1.00 0.00 N ATOM 732 CA SER A 140 -4.462 -4.311 4.057 1.00 0.00 C ATOM 733 C SER A 140 -3.105 -3.789 4.522 1.00 0.00 C ATOM 734 O SER A 140 -2.947 -2.601 4.803 1.00 0.00 O ATOM 735 CB SER A 140 -5.382 -4.573 5.249 1.00 0.00 C ATOM 736 OG SER A 140 -5.600 -3.391 5.999 1.00 0.00 O ATOM 0 H SER A 140 -4.812 -6.332 3.657 1.00 0.00 H new ATOM 0 HA SER A 140 -4.913 -3.545 3.426 1.00 0.00 H new ATOM 0 HB2 SER A 140 -6.336 -4.964 4.896 1.00 0.00 H new ATOM 0 HB3 SER A 140 -4.942 -5.337 5.890 1.00 0.00 H new ATOM 0 HG SER A 140 -4.839 -3.238 6.597 1.00 0.00 H new ATOM 742 N ARG A 141 -2.124 -4.688 4.592 1.00 0.00 N ATOM 743 CA ARG A 141 -0.775 -4.321 5.013 1.00 0.00 C ATOM 744 C ARG A 141 0.256 -4.788 3.986 1.00 0.00 C ATOM 745 O ARG A 141 0.144 -5.884 3.437 1.00 0.00 O ATOM 746 CB ARG A 141 -0.460 -4.924 6.384 1.00 0.00 C ATOM 747 CG ARG A 141 -0.458 -6.445 6.400 1.00 0.00 C ATOM 748 CD ARG A 141 -0.118 -6.986 7.780 1.00 0.00 C ATOM 749 NE ARG A 141 -1.136 -6.646 8.771 1.00 0.00 N ATOM 750 CZ ARG A 141 -2.373 -7.134 8.754 1.00 0.00 C ATOM 751 NH1 ARG A 141 -2.737 -8.002 7.819 1.00 0.00 N ATOM 752 NH2 ARG A 141 -3.247 -6.761 9.679 1.00 0.00 N ATOM 0 H ARG A 141 -2.239 -5.675 4.362 1.00 0.00 H new ATOM 0 HA ARG A 141 -0.725 -3.235 5.087 1.00 0.00 H new ATOM 0 HB2 ARG A 141 0.515 -4.565 6.713 1.00 0.00 H new ATOM 0 HB3 ARG A 141 -1.192 -4.563 7.106 1.00 0.00 H new ATOM 0 HG2 ARG A 141 -1.437 -6.815 6.094 1.00 0.00 H new ATOM 0 HG3 ARG A 141 0.265 -6.817 5.674 1.00 0.00 H new ATOM 0 HD2 ARG A 141 -0.012 -8.070 7.728 1.00 0.00 H new ATOM 0 HD3 ARG A 141 0.845 -6.586 8.098 1.00 0.00 H new ATOM 0 HE ARG A 141 -0.884 -5.998 9.518 1.00 0.00 H new ATOM 0 HH11 ARG A 141 -2.067 -8.298 7.109 1.00 0.00 H new ATOM 0 HH12 ARG A 141 -3.687 -8.374 7.810 1.00 0.00 H new ATOM 0 HH21 ARG A 141 -2.971 -6.099 10.404 1.00 0.00 H new ATOM 0 HH22 ARG A 141 -4.196 -7.136 9.665 1.00 0.00 H new ATOM 766 N SER A 142 1.255 -3.946 3.728 1.00 0.00 N ATOM 767 CA SER A 142 2.307 -4.265 2.761 1.00 0.00 C ATOM 768 C SER A 142 3.650 -3.707 3.222 1.00 0.00 C ATOM 769 O SER A 142 3.741 -2.558 3.659 1.00 0.00 O ATOM 770 CB SER A 142 1.951 -3.689 1.389 1.00 0.00 C ATOM 771 OG SER A 142 2.956 -3.985 0.435 1.00 0.00 O ATOM 0 H SER A 142 1.359 -3.035 4.176 1.00 0.00 H new ATOM 0 HA SER A 142 2.387 -5.349 2.687 1.00 0.00 H new ATOM 0 HB2 SER A 142 0.997 -4.098 1.056 1.00 0.00 H new ATOM 0 HB3 SER A 142 1.825 -2.609 1.466 1.00 0.00 H new ATOM 0 HG SER A 142 2.843 -4.905 0.115 1.00 0.00 H new ATOM 777 N VAL A 143 4.692 -4.529 3.120 1.00 0.00 N ATOM 778 CA VAL A 143 6.034 -4.122 3.525 1.00 0.00 C ATOM 779 C VAL A 143 7.015 -4.253 2.365 1.00 0.00 C ATOM 780 O VAL A 143 7.141 -5.319 1.765 1.00 0.00 O ATOM 781 CB VAL A 143 6.542 -4.964 4.711 1.00 0.00 C ATOM 782 CG1 VAL A 143 7.986 -4.613 5.042 1.00 0.00 C ATOM 783 CG2 VAL A 143 5.646 -4.775 5.924 1.00 0.00 C ATOM 0 H VAL A 143 4.632 -5.481 2.760 1.00 0.00 H new ATOM 0 HA VAL A 143 5.972 -3.078 3.832 1.00 0.00 H new ATOM 0 HB VAL A 143 6.508 -6.015 4.424 1.00 0.00 H new ATOM 0 HG11 VAL A 143 8.324 -5.219 5.882 1.00 0.00 H new ATOM 0 HG12 VAL A 143 8.616 -4.810 4.175 1.00 0.00 H new ATOM 0 HG13 VAL A 143 8.053 -3.558 5.306 1.00 0.00 H new ATOM 0 HG21 VAL A 143 6.021 -5.378 6.751 1.00 0.00 H new ATOM 0 HG22 VAL A 143 5.642 -3.724 6.213 1.00 0.00 H new ATOM 0 HG23 VAL A 143 4.631 -5.087 5.679 1.00 0.00 H new ATOM 793 N CYS A 144 7.709 -3.164 2.057 1.00 0.00 N ATOM 794 CA CYS A 144 8.680 -3.159 0.969 1.00 0.00 C ATOM 795 C CYS A 144 9.851 -4.094 1.242 1.00 0.00 C ATOM 796 O CYS A 144 10.258 -4.293 2.387 1.00 0.00 O ATOM 797 CB CYS A 144 9.200 -1.747 0.712 1.00 0.00 C ATOM 798 SG CYS A 144 8.148 -0.748 -0.386 1.00 0.00 S ATOM 0 H CYS A 144 7.618 -2.273 2.545 1.00 0.00 H new ATOM 0 HA CYS A 144 8.160 -3.520 0.082 1.00 0.00 H new ATOM 0 HB2 CYS A 144 9.302 -1.231 1.667 1.00 0.00 H new ATOM 0 HB3 CYS A 144 10.198 -1.814 0.278 1.00 0.00 H new ATOM 803 N SER A 145 10.389 -4.650 0.165 1.00 0.00 N ATOM 804 CA SER A 145 11.524 -5.558 0.236 1.00 0.00 C ATOM 805 C SER A 145 12.099 -5.757 -1.162 1.00 0.00 C ATOM 806 O SER A 145 11.378 -6.129 -2.088 1.00 0.00 O ATOM 807 CB SER A 145 11.098 -6.901 0.832 1.00 0.00 C ATOM 808 OG SER A 145 10.124 -7.535 0.021 1.00 0.00 O ATOM 0 H SER A 145 10.050 -4.484 -0.783 1.00 0.00 H new ATOM 0 HA SER A 145 12.288 -5.127 0.882 1.00 0.00 H new ATOM 0 HB2 SER A 145 11.968 -7.549 0.934 1.00 0.00 H new ATOM 0 HB3 SER A 145 10.697 -6.747 1.834 1.00 0.00 H new ATOM 0 HG SER A 145 10.236 -7.248 -0.909 1.00 0.00 H new ATOM 814 N GLN A 146 13.391 -5.482 -1.316 1.00 0.00 N ATOM 815 CA GLN A 146 14.044 -5.607 -2.614 1.00 0.00 C ATOM 816 C GLN A 146 13.365 -4.693 -3.633 1.00 0.00 C ATOM 817 O GLN A 146 13.183 -5.060 -4.794 1.00 0.00 O ATOM 818 CB GLN A 146 14.008 -7.059 -3.098 1.00 0.00 C ATOM 819 CG GLN A 146 14.782 -8.020 -2.210 1.00 0.00 C ATOM 820 CD GLN A 146 16.264 -7.703 -2.157 1.00 0.00 C ATOM 821 OE1 GLN A 146 16.944 -7.694 -3.183 1.00 0.00 O ATOM 822 NE2 GLN A 146 16.773 -7.444 -0.958 1.00 0.00 N ATOM 0 H GLN A 146 14.004 -5.173 -0.561 1.00 0.00 H new ATOM 0 HA GLN A 146 15.086 -5.306 -2.508 1.00 0.00 H new ATOM 0 HB2 GLN A 146 12.970 -7.388 -3.156 1.00 0.00 H new ATOM 0 HB3 GLN A 146 14.414 -7.106 -4.109 1.00 0.00 H new ATOM 0 HG2 GLN A 146 14.371 -7.987 -1.201 1.00 0.00 H new ATOM 0 HG3 GLN A 146 14.645 -9.037 -2.577 1.00 0.00 H new ATOM 0 HE21 GLN A 146 16.172 -7.463 -0.134 1.00 0.00 H new ATOM 0 HE22 GLN A 146 17.765 -7.227 -0.861 1.00 0.00 H new ATOM 831 N GLY A 147 12.987 -3.500 -3.176 1.00 0.00 N ATOM 832 CA GLY A 147 12.324 -2.535 -4.037 1.00 0.00 C ATOM 833 C GLY A 147 10.991 -3.040 -4.565 1.00 0.00 C ATOM 834 O GLY A 147 10.515 -2.582 -5.603 1.00 0.00 O ATOM 0 H GLY A 147 13.130 -3.184 -2.217 1.00 0.00 H new ATOM 0 HA2 GLY A 147 12.164 -1.610 -3.484 1.00 0.00 H new ATOM 0 HA3 GLY A 147 12.976 -2.295 -4.877 1.00 0.00 H new ATOM 838 N GLN A 148 10.388 -3.980 -3.841 1.00 0.00 N ATOM 839 CA GLN A 148 9.098 -4.547 -4.229 1.00 0.00 C ATOM 840 C GLN A 148 8.230 -4.809 -3.002 1.00 0.00 C ATOM 841 O GLN A 148 8.711 -5.333 -1.996 1.00 0.00 O ATOM 842 CB GLN A 148 9.299 -5.849 -5.008 1.00 0.00 C ATOM 843 CG GLN A 148 9.955 -5.660 -6.366 1.00 0.00 C ATOM 844 CD GLN A 148 9.099 -4.848 -7.320 1.00 0.00 C ATOM 845 OE1 GLN A 148 7.959 -5.210 -7.608 1.00 0.00 O ATOM 846 NE2 GLN A 148 9.649 -3.747 -7.821 1.00 0.00 N ATOM 0 H GLN A 148 10.773 -4.367 -2.979 1.00 0.00 H new ATOM 0 HA GLN A 148 8.591 -3.824 -4.868 1.00 0.00 H new ATOM 0 HB2 GLN A 148 9.910 -6.527 -4.412 1.00 0.00 H new ATOM 0 HB3 GLN A 148 8.331 -6.331 -5.147 1.00 0.00 H new ATOM 0 HG2 GLN A 148 10.917 -5.164 -6.235 1.00 0.00 H new ATOM 0 HG3 GLN A 148 10.157 -6.636 -6.807 1.00 0.00 H new ATOM 0 HE21 GLN A 148 10.598 -3.484 -7.555 1.00 0.00 H new ATOM 0 HE22 GLN A 148 9.122 -3.165 -8.472 1.00 0.00 H new ATOM 855 N TRP A 149 6.951 -4.450 -3.083 1.00 0.00 N ATOM 856 CA TRP A 149 6.035 -4.661 -1.966 1.00 0.00 C ATOM 857 C TRP A 149 5.862 -6.150 -1.690 1.00 0.00 C ATOM 858 O TRP A 149 5.649 -6.940 -2.610 1.00 0.00 O ATOM 859 CB TRP A 149 4.669 -4.032 -2.245 1.00 0.00 C ATOM 860 CG TRP A 149 4.740 -2.589 -2.636 1.00 0.00 C ATOM 861 CD1 TRP A 149 4.846 -2.088 -3.900 1.00 0.00 C ATOM 862 CD2 TRP A 149 4.729 -1.461 -1.755 1.00 0.00 C ATOM 863 NE1 TRP A 149 4.880 -0.716 -3.861 1.00 0.00 N ATOM 864 CE2 TRP A 149 4.815 -0.307 -2.555 1.00 0.00 C ATOM 865 CE3 TRP A 149 4.649 -1.316 -0.369 1.00 0.00 C ATOM 866 CZ2 TRP A 149 4.824 0.975 -2.014 1.00 0.00 C ATOM 867 CZ3 TRP A 149 4.660 -0.042 0.168 1.00 0.00 C ATOM 868 CH2 TRP A 149 4.746 1.089 -0.653 1.00 0.00 C ATOM 0 H TRP A 149 6.528 -4.015 -3.903 1.00 0.00 H new ATOM 0 HA TRP A 149 6.469 -4.179 -1.090 1.00 0.00 H new ATOM 0 HB2 TRP A 149 4.177 -4.591 -3.041 1.00 0.00 H new ATOM 0 HB3 TRP A 149 4.046 -4.128 -1.356 1.00 0.00 H new ATOM 0 HD1 TRP A 149 4.896 -2.683 -4.800 1.00 0.00 H new ATOM 0 HE1 TRP A 149 4.943 -0.101 -4.672 1.00 0.00 H new ATOM 0 HE3 TRP A 149 4.580 -2.183 0.272 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 4.890 1.848 -2.646 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 4.601 0.083 1.239 1.00 0.00 H new ATOM 0 HH2 TRP A 149 4.751 2.071 -0.203 1.00 0.00 H new ATOM 879 N SER A 150 5.956 -6.527 -0.420 1.00 0.00 N ATOM 880 CA SER A 150 5.811 -7.922 -0.023 1.00 0.00 C ATOM 881 C SER A 150 4.464 -8.481 -0.471 1.00 0.00 C ATOM 882 O SER A 150 4.406 -9.453 -1.225 1.00 0.00 O ATOM 883 CB SER A 150 5.953 -8.063 1.492 1.00 0.00 C ATOM 884 OG SER A 150 5.815 -9.414 1.896 1.00 0.00 O ATOM 0 H SER A 150 6.132 -5.885 0.353 1.00 0.00 H new ATOM 0 HA SER A 150 6.602 -8.493 -0.510 1.00 0.00 H new ATOM 0 HB2 SER A 150 6.926 -7.685 1.805 1.00 0.00 H new ATOM 0 HB3 SER A 150 5.199 -7.453 1.989 1.00 0.00 H new ATOM 0 HG SER A 150 5.912 -9.476 2.869 1.00 0.00 H new ATOM 890 N THR A 151 3.382 -7.865 -0.001 1.00 0.00 N ATOM 891 CA THR A 151 2.040 -8.310 -0.353 1.00 0.00 C ATOM 892 C THR A 151 1.484 -7.542 -1.554 1.00 0.00 C ATOM 893 O THR A 151 1.597 -6.319 -1.625 1.00 0.00 O ATOM 894 CB THR A 151 1.078 -8.147 0.834 1.00 0.00 C ATOM 895 OG1 THR A 151 1.113 -6.794 1.301 1.00 0.00 O ATOM 896 CG2 THR A 151 1.449 -9.091 1.967 1.00 0.00 C ATOM 0 H THR A 151 3.410 -7.058 0.623 1.00 0.00 H new ATOM 0 HA THR A 151 2.119 -9.364 -0.618 1.00 0.00 H new ATOM 0 HB THR A 151 0.071 -8.393 0.498 1.00 0.00 H new ATOM 0 HG1 THR A 151 0.208 -6.508 1.544 1.00 0.00 H new ATOM 0 HG21 THR A 151 0.753 -8.956 2.795 1.00 0.00 H new ATOM 0 HG22 THR A 151 1.398 -10.121 1.614 1.00 0.00 H new ATOM 0 HG23 THR A 151 2.462 -8.873 2.305 1.00 0.00 H new ATOM 904 N PRO A 152 0.862 -8.256 -2.514 1.00 0.00 N ATOM 905 CA PRO A 152 0.275 -7.637 -3.709 1.00 0.00 C ATOM 906 C PRO A 152 -0.880 -6.704 -3.358 1.00 0.00 C ATOM 907 O PRO A 152 -1.651 -6.981 -2.441 1.00 0.00 O ATOM 908 CB PRO A 152 -0.229 -8.830 -4.528 1.00 0.00 C ATOM 909 CG PRO A 152 -0.393 -9.932 -3.539 1.00 0.00 C ATOM 910 CD PRO A 152 0.672 -9.717 -2.502 1.00 0.00 C ATOM 0 HA PRO A 152 0.996 -7.019 -4.244 1.00 0.00 H new ATOM 0 HB2 PRO A 152 -1.173 -8.599 -5.023 1.00 0.00 H new ATOM 0 HB3 PRO A 152 0.482 -9.102 -5.308 1.00 0.00 H new ATOM 0 HG2 PRO A 152 -1.386 -9.909 -3.090 1.00 0.00 H new ATOM 0 HG3 PRO A 152 -0.282 -10.905 -4.017 1.00 0.00 H new ATOM 0 HD2 PRO A 152 0.357 -10.074 -1.521 1.00 0.00 H new ATOM 0 HD3 PRO A 152 1.592 -10.245 -2.754 1.00 0.00 H new ATOM 918 N LYS A 153 -0.989 -5.595 -4.085 1.00 0.00 N ATOM 919 CA LYS A 153 -2.046 -4.616 -3.838 1.00 0.00 C ATOM 920 C LYS A 153 -3.419 -5.284 -3.781 1.00 0.00 C ATOM 921 O LYS A 153 -3.786 -6.046 -4.675 1.00 0.00 O ATOM 922 CB LYS A 153 -2.036 -3.543 -4.929 1.00 0.00 C ATOM 923 CG LYS A 153 -3.046 -2.430 -4.696 1.00 0.00 C ATOM 924 CD LYS A 153 -3.008 -1.398 -5.811 1.00 0.00 C ATOM 925 CE LYS A 153 -3.978 -0.258 -5.547 1.00 0.00 C ATOM 926 NZ LYS A 153 -3.953 0.755 -6.638 1.00 0.00 N ATOM 0 H LYS A 153 -0.359 -5.351 -4.849 1.00 0.00 H new ATOM 0 HA LYS A 153 -1.853 -4.151 -2.871 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -1.038 -3.110 -4.992 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -2.241 -4.013 -5.891 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -4.047 -2.855 -4.627 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -2.839 -1.944 -3.742 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -1.997 -1.002 -5.908 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -3.255 -1.876 -6.759 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -4.987 -0.656 -5.444 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -3.727 0.221 -4.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -4.920 1.090 -6.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -3.357 1.558 -6.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -3.564 0.325 -7.502 1.00 0.00 H new ATOM 940 N PRO A 154 -4.201 -5.005 -2.718 1.00 0.00 N ATOM 941 CA PRO A 154 -5.537 -5.582 -2.545 1.00 0.00 C ATOM 942 C PRO A 154 -6.576 -4.930 -3.453 1.00 0.00 C ATOM 943 O PRO A 154 -6.256 -4.483 -4.554 1.00 0.00 O ATOM 944 CB PRO A 154 -5.853 -5.292 -1.079 1.00 0.00 C ATOM 945 CG PRO A 154 -5.093 -4.048 -0.772 1.00 0.00 C ATOM 946 CD PRO A 154 -3.839 -4.106 -1.604 1.00 0.00 C ATOM 0 HA PRO A 154 -5.562 -6.641 -2.803 1.00 0.00 H new ATOM 0 HB2 PRO A 154 -6.923 -5.152 -0.924 1.00 0.00 H new ATOM 0 HB3 PRO A 154 -5.543 -6.115 -0.436 1.00 0.00 H new ATOM 0 HG2 PRO A 154 -5.681 -3.163 -1.015 1.00 0.00 H new ATOM 0 HG3 PRO A 154 -4.853 -3.990 0.290 1.00 0.00 H new ATOM 0 HD2 PRO A 154 -3.551 -3.118 -1.964 1.00 0.00 H new ATOM 0 HD3 PRO A 154 -2.997 -4.495 -1.032 1.00 0.00 H new ATOM 954 N HIS A 155 -7.821 -4.879 -2.984 1.00 0.00 N ATOM 955 CA HIS A 155 -8.903 -4.280 -3.758 1.00 0.00 C ATOM 956 C HIS A 155 -10.009 -3.757 -2.846 1.00 0.00 C ATOM 957 O HIS A 155 -10.329 -4.370 -1.828 1.00 0.00 O ATOM 958 CB HIS A 155 -9.476 -5.302 -4.742 1.00 0.00 C ATOM 959 CG HIS A 155 -10.060 -6.511 -4.078 1.00 0.00 C ATOM 960 ND1 HIS A 155 -11.300 -7.048 -4.150 1.00 0.00 N flip ATOM 961 CD2 HIS A 155 -9.343 -7.319 -3.221 1.00 0.00 C flip ATOM 962 CE1 HIS A 155 -11.308 -8.160 -3.344 1.00 0.00 C flip ATOM 963 NE2 HIS A 155 -10.117 -8.302 -2.796 1.00 0.00 N flip ATOM 0 H HIS A 155 -8.104 -5.244 -2.075 1.00 0.00 H new ATOM 0 HA HIS A 155 -8.493 -3.437 -4.314 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -10.246 -4.821 -5.345 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -8.688 -5.618 -5.425 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -8.310 -7.171 -2.941 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -12.153 -8.813 -3.185 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -9.840 -9.044 -2.153 1.00 0.00 H new ATOM 972 N CYS A 156 -10.600 -2.629 -3.228 1.00 0.00 N ATOM 973 CA CYS A 156 -11.683 -2.035 -2.453 1.00 0.00 C ATOM 974 C CYS A 156 -13.028 -2.429 -3.049 1.00 0.00 C ATOM 975 O CYS A 156 -13.235 -2.318 -4.257 1.00 0.00 O ATOM 976 CB CYS A 156 -11.555 -0.509 -2.426 1.00 0.00 C ATOM 977 SG CYS A 156 -10.069 0.107 -1.570 1.00 0.00 S ATOM 0 H CYS A 156 -10.347 -2.109 -4.068 1.00 0.00 H new ATOM 0 HA CYS A 156 -11.619 -2.408 -1.431 1.00 0.00 H new ATOM 0 HB2 CYS A 156 -11.548 -0.139 -3.451 1.00 0.00 H new ATOM 0 HB3 CYS A 156 -12.438 -0.091 -1.942 1.00 0.00 H new ATOM 982 N GLN A 157 -13.939 -2.900 -2.202 1.00 0.00 N ATOM 983 CA GLN A 157 -15.255 -3.317 -2.670 1.00 0.00 C ATOM 984 C GLN A 157 -16.371 -2.584 -1.943 1.00 0.00 C ATOM 985 O GLN A 157 -16.275 -2.300 -0.749 1.00 0.00 O ATOM 986 CB GLN A 157 -15.427 -4.826 -2.510 1.00 0.00 C ATOM 987 CG GLN A 157 -14.490 -5.635 -3.392 1.00 0.00 C ATOM 988 CD GLN A 157 -14.781 -5.488 -4.877 1.00 0.00 C ATOM 989 OE1 GLN A 157 -15.845 -4.767 -5.216 1.00 0.00 O flip ATOM 990 NE2 GLN A 157 -14.057 -6.027 -5.714 1.00 0.00 N flip ATOM 0 H GLN A 157 -13.792 -3.001 -1.198 1.00 0.00 H new ATOM 0 HA GLN A 157 -15.321 -3.060 -3.727 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -15.257 -5.096 -1.468 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -16.457 -5.094 -2.744 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -13.463 -5.325 -3.198 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -14.563 -6.687 -3.118 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -13.249 -6.573 -5.414 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -14.265 -5.928 -6.708 1.00 0.00 H new ATOM 999 N VAL A 158 -17.426 -2.278 -2.684 1.00 0.00 N ATOM 1000 CA VAL A 158 -18.577 -1.574 -2.141 1.00 0.00 C ATOM 1001 C VAL A 158 -19.302 -2.429 -1.106 1.00 0.00 C ATOM 1002 O VAL A 158 -19.494 -3.629 -1.307 1.00 0.00 O ATOM 1003 CB VAL A 158 -19.556 -1.200 -3.265 1.00 0.00 C ATOM 1004 CG1 VAL A 158 -20.555 -0.159 -2.785 1.00 0.00 C ATOM 1005 CG2 VAL A 158 -18.789 -0.696 -4.479 1.00 0.00 C ATOM 0 H VAL A 158 -17.508 -2.510 -3.674 1.00 0.00 H new ATOM 0 HA VAL A 158 -18.214 -0.667 -1.658 1.00 0.00 H new ATOM 0 HB VAL A 158 -20.114 -2.091 -3.553 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -21.238 0.091 -3.597 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -21.121 -0.559 -1.944 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -20.022 0.738 -2.470 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -19.492 -0.434 -5.270 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -18.208 0.184 -4.203 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -18.117 -1.477 -4.835 1.00 0.00 H new ATOM 1015 N ASN A 159 -19.700 -1.809 0.000 1.00 0.00 N ATOM 1016 CA ASN A 159 -20.403 -2.521 1.063 1.00 0.00 C ATOM 1017 C ASN A 159 -21.710 -3.115 0.551 1.00 0.00 C ATOM 1018 O ASN A 159 -22.240 -2.596 -0.455 1.00 0.00 O ATOM 1019 CB ASN A 159 -20.680 -1.586 2.244 1.00 0.00 C ATOM 1020 CG ASN A 159 -21.537 -0.396 1.858 1.00 0.00 C ATOM 1021 OD1 ASN A 159 -22.660 -0.553 1.378 1.00 0.00 O ATOM 1022 ND2 ASN A 159 -21.014 0.805 2.073 1.00 0.00 N ATOM 1023 OXT ASN A 159 -22.194 -4.093 1.158 1.00 0.00 O ATOM 0 H ASN A 159 -19.549 -0.817 0.184 1.00 0.00 H new ATOM 0 HA ASN A 159 -19.762 -3.336 1.400 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -21.177 -2.145 3.036 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -19.733 -1.230 2.651 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -21.547 1.643 1.838 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -20.079 0.890 2.473 1.00 0.00 H new