USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=16 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 142 SER OG : rot -38:sc= 1.23 USER MOD Set 1.2: A 151 THR OG1 : rot -169:sc= 1.66 USER MOD Set 2.1: A 100 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 148 GLN : amide:sc= -0.84 K(o=-0.84,f=-5.2!) USER MOD Single : A 101 LYS NZ :NH3+ 165:sc= -0.0444 (180deg=-0.321) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 138:sc= -1.38 USER MOD Single : A 105 THR OG1 : rot 79:sc= -0.0156 USER MOD Single : A 108 ASN :FLIP amide:sc= -3.2 F(o=-4.1!,f=-3.2) USER MOD Single : A 110 LYS NZ :NH3+ -135:sc= -3.13! (180deg=-6.13!) USER MOD Single : A 114 THR OG1 : rot 180:sc= -0.321 USER MOD Single : A 135 HIS : no HD1:sc= -1.45! C(o=-1.5!,f=-3.4!) USER MOD Single : A 139 SER OG : rot 150:sc= -0.543 USER MOD Single : A 140 SER OG : rot 180:sc= -0.533 USER MOD Single : A 145 SER OG : rot 180:sc= 0 USER MOD Single : A 146 GLN : amide:sc=-0.000684 X(o=-0.00068,f=0) USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 153 LYS NZ :NH3+ -113:sc= -0.636 (180deg=-3.42!) USER MOD Single : A 155 HIS : no HD1:sc= -0.267 K(o=-0.27,f=-0.86) USER MOD Single : A 157 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 159 ASN :FLIP amide:sc= -0.0111 F(o=-2!,f=-0.011) USER MOD ----------------------------------------------------------------- ATOM 103 N ILE A 98 13.063 2.526 -5.854 1.00 0.00 N ATOM 104 CA ILE A 98 12.039 2.769 -4.870 1.00 0.00 C ATOM 105 C ILE A 98 10.840 1.857 -5.092 1.00 0.00 C ATOM 106 O ILE A 98 10.482 1.548 -6.229 1.00 0.00 O ATOM 107 CB ILE A 98 11.584 4.235 -4.895 1.00 0.00 C ATOM 108 CG1 ILE A 98 10.410 4.415 -3.956 1.00 0.00 C ATOM 109 CG2 ILE A 98 11.215 4.656 -6.311 1.00 0.00 C ATOM 110 CD1 ILE A 98 10.222 5.837 -3.487 1.00 0.00 C ATOM 0 HA ILE A 98 12.470 2.552 -3.893 1.00 0.00 H new ATOM 0 HB ILE A 98 12.404 4.871 -4.561 1.00 0.00 H new ATOM 0 HG12 ILE A 98 9.501 4.084 -4.458 1.00 0.00 H new ATOM 0 HG13 ILE A 98 10.548 3.770 -3.088 1.00 0.00 H new ATOM 0 HG21 ILE A 98 10.895 5.698 -6.309 1.00 0.00 H new ATOM 0 HG22 ILE A 98 12.082 4.544 -6.962 1.00 0.00 H new ATOM 0 HG23 ILE A 98 10.403 4.028 -6.677 1.00 0.00 H new ATOM 0 HD11 ILE A 98 9.363 5.889 -2.818 1.00 0.00 H new ATOM 0 HD12 ILE A 98 11.115 6.166 -2.956 1.00 0.00 H new ATOM 0 HD13 ILE A 98 10.052 6.484 -4.347 1.00 0.00 H new ATOM 122 N CYS A 99 10.226 1.431 -3.994 1.00 0.00 N ATOM 123 CA CYS A 99 9.067 0.552 -4.049 1.00 0.00 C ATOM 124 C CYS A 99 8.037 1.091 -5.041 1.00 0.00 C ATOM 125 O CYS A 99 7.801 2.297 -5.110 1.00 0.00 O ATOM 126 CB CYS A 99 8.460 0.422 -2.654 1.00 0.00 C ATOM 127 SG CYS A 99 9.696 0.108 -1.349 1.00 0.00 S ATOM 0 H CYS A 99 10.515 1.683 -3.049 1.00 0.00 H new ATOM 0 HA CYS A 99 9.379 -0.435 -4.391 1.00 0.00 H new ATOM 0 HB2 CYS A 99 7.917 1.336 -2.416 1.00 0.00 H new ATOM 0 HB3 CYS A 99 7.732 -0.390 -2.657 1.00 0.00 H new ATOM 132 N SER A 100 7.450 0.186 -5.824 1.00 0.00 N ATOM 133 CA SER A 100 6.463 0.554 -6.841 1.00 0.00 C ATOM 134 C SER A 100 5.511 1.646 -6.360 1.00 0.00 C ATOM 135 O SER A 100 4.902 1.538 -5.297 1.00 0.00 O ATOM 136 CB SER A 100 5.661 -0.678 -7.264 1.00 0.00 C ATOM 137 OG SER A 100 6.508 -1.683 -7.795 1.00 0.00 O ATOM 0 H SER A 100 7.642 -0.814 -5.773 1.00 0.00 H new ATOM 0 HA SER A 100 7.014 0.951 -7.694 1.00 0.00 H new ATOM 0 HB2 SER A 100 5.117 -1.073 -6.406 1.00 0.00 H new ATOM 0 HB3 SER A 100 4.918 -0.393 -8.009 1.00 0.00 H new ATOM 0 HG SER A 100 5.970 -2.460 -8.056 1.00 0.00 H new ATOM 143 N LYS A 101 5.384 2.696 -7.164 1.00 0.00 N ATOM 144 CA LYS A 101 4.499 3.809 -6.842 1.00 0.00 C ATOM 145 C LYS A 101 3.058 3.489 -7.229 1.00 0.00 C ATOM 146 O LYS A 101 2.124 4.160 -6.791 1.00 0.00 O ATOM 147 CB LYS A 101 4.965 5.083 -7.551 1.00 0.00 C ATOM 148 CG LYS A 101 6.254 5.660 -6.990 1.00 0.00 C ATOM 149 CD LYS A 101 6.093 6.073 -5.535 1.00 0.00 C ATOM 150 CE LYS A 101 7.362 6.703 -4.989 1.00 0.00 C ATOM 151 NZ LYS A 101 7.747 7.925 -5.749 1.00 0.00 N ATOM 0 H LYS A 101 5.885 2.799 -8.047 1.00 0.00 H new ATOM 0 HA LYS A 101 4.537 3.971 -5.765 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.105 4.868 -8.610 1.00 0.00 H new ATOM 0 HB3 LYS A 101 4.180 5.835 -7.480 1.00 0.00 H new ATOM 0 HG2 LYS A 101 7.051 4.921 -7.074 1.00 0.00 H new ATOM 0 HG3 LYS A 101 6.556 6.523 -7.583 1.00 0.00 H new ATOM 0 HD2 LYS A 101 5.268 6.780 -5.446 1.00 0.00 H new ATOM 0 HD3 LYS A 101 5.832 5.201 -4.935 1.00 0.00 H new ATOM 0 HE2 LYS A 101 7.218 6.959 -3.939 1.00 0.00 H new ATOM 0 HE3 LYS A 101 8.175 5.978 -5.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 8.453 8.463 -5.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 8.152 7.650 -6.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 6.906 8.516 -5.905 1.00 0.00 H new ATOM 165 N SER A 102 2.890 2.462 -8.059 1.00 0.00 N ATOM 166 CA SER A 102 1.567 2.049 -8.517 1.00 0.00 C ATOM 167 C SER A 102 0.626 1.815 -7.338 1.00 0.00 C ATOM 168 O SER A 102 -0.538 2.211 -7.373 1.00 0.00 O ATOM 169 CB SER A 102 1.673 0.776 -9.359 1.00 0.00 C ATOM 170 OG SER A 102 2.523 0.971 -10.475 1.00 0.00 O ATOM 0 H SER A 102 3.656 1.900 -8.429 1.00 0.00 H new ATOM 0 HA SER A 102 1.156 2.852 -9.129 1.00 0.00 H new ATOM 0 HB2 SER A 102 2.056 -0.039 -8.745 1.00 0.00 H new ATOM 0 HB3 SER A 102 0.682 0.479 -9.701 1.00 0.00 H new ATOM 0 HG SER A 102 2.575 0.142 -10.995 1.00 0.00 H new ATOM 176 N TYR A 103 1.141 1.170 -6.297 1.00 0.00 N ATOM 177 CA TYR A 103 0.350 0.884 -5.103 1.00 0.00 C ATOM 178 C TYR A 103 -0.208 2.169 -4.495 1.00 0.00 C ATOM 179 O TYR A 103 -1.360 2.211 -4.065 1.00 0.00 O ATOM 180 CB TYR A 103 1.199 0.139 -4.069 1.00 0.00 C ATOM 181 CG TYR A 103 1.465 -1.311 -4.424 1.00 0.00 C ATOM 182 CD1 TYR A 103 1.849 -1.679 -5.708 1.00 0.00 C ATOM 183 CD2 TYR A 103 1.328 -2.312 -3.469 1.00 0.00 C ATOM 184 CE1 TYR A 103 2.088 -3.001 -6.030 1.00 0.00 C ATOM 185 CE2 TYR A 103 1.566 -3.636 -3.785 1.00 0.00 C ATOM 186 CZ TYR A 103 1.944 -3.975 -5.066 1.00 0.00 C ATOM 187 OH TYR A 103 2.180 -5.293 -5.383 1.00 0.00 O ATOM 0 H TYR A 103 2.103 0.835 -6.255 1.00 0.00 H new ATOM 0 HA TYR A 103 -0.488 0.252 -5.397 1.00 0.00 H new ATOM 0 HB2 TYR A 103 2.152 0.656 -3.955 1.00 0.00 H new ATOM 0 HB3 TYR A 103 0.696 0.180 -3.103 1.00 0.00 H new ATOM 0 HD1 TYR A 103 1.962 -0.919 -6.467 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.031 -2.051 -2.464 1.00 0.00 H new ATOM 0 HE1 TYR A 103 2.386 -3.270 -7.033 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.456 -4.402 -3.031 1.00 0.00 H new ATOM 0 HH TYR A 103 2.680 -5.720 -4.656 1.00 0.00 H new ATOM 197 N LEU A 104 0.619 3.210 -4.461 1.00 0.00 N ATOM 198 CA LEU A 104 0.211 4.496 -3.903 1.00 0.00 C ATOM 199 C LEU A 104 -0.667 5.271 -4.886 1.00 0.00 C ATOM 200 O LEU A 104 -0.532 6.488 -5.022 1.00 0.00 O ATOM 201 CB LEU A 104 1.439 5.335 -3.536 1.00 0.00 C ATOM 202 CG LEU A 104 2.398 4.698 -2.527 1.00 0.00 C ATOM 203 CD1 LEU A 104 3.155 3.537 -3.157 1.00 0.00 C ATOM 204 CD2 LEU A 104 3.377 5.737 -2.000 1.00 0.00 C ATOM 0 H LEU A 104 1.576 3.188 -4.813 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.370 4.297 -3.003 1.00 0.00 H new ATOM 0 HB2 LEU A 104 1.993 5.554 -4.449 1.00 0.00 H new ATOM 0 HB3 LEU A 104 1.098 6.289 -3.134 1.00 0.00 H new ATOM 0 HG LEU A 104 1.809 4.313 -1.695 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.830 3.101 -2.421 1.00 0.00 H new ATOM 0 HD12 LEU A 104 2.446 2.780 -3.493 1.00 0.00 H new ATOM 0 HD13 LEU A 104 3.731 3.898 -4.009 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.053 5.270 -1.284 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.954 6.147 -2.829 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.827 6.540 -1.509 1.00 0.00 H new ATOM 216 N THR A 105 -1.561 4.565 -5.570 1.00 0.00 N ATOM 217 CA THR A 105 -2.452 5.195 -6.538 1.00 0.00 C ATOM 218 C THR A 105 -3.803 4.483 -6.583 1.00 0.00 C ATOM 219 O THR A 105 -4.188 3.922 -7.610 1.00 0.00 O ATOM 220 CB THR A 105 -1.831 5.211 -7.949 1.00 0.00 C ATOM 221 OG1 THR A 105 -0.517 5.780 -7.896 1.00 0.00 O ATOM 222 CG2 THR A 105 -2.690 6.016 -8.913 1.00 0.00 C ATOM 0 H THR A 105 -1.688 3.558 -5.472 1.00 0.00 H new ATOM 0 HA THR A 105 -2.602 6.224 -6.212 1.00 0.00 H new ATOM 0 HB THR A 105 -1.775 4.183 -8.307 1.00 0.00 H new ATOM 0 HG1 THR A 105 0.116 5.110 -7.563 1.00 0.00 H new ATOM 0 HG21 THR A 105 -2.230 6.012 -9.901 1.00 0.00 H new ATOM 0 HG22 THR A 105 -3.683 5.571 -8.973 1.00 0.00 H new ATOM 0 HG23 THR A 105 -2.773 7.043 -8.556 1.00 0.00 H new ATOM 230 N LEU A 106 -4.518 4.502 -5.462 1.00 0.00 N ATOM 231 CA LEU A 106 -5.822 3.853 -5.383 1.00 0.00 C ATOM 232 C LEU A 106 -6.942 4.849 -5.665 1.00 0.00 C ATOM 233 O LEU A 106 -7.037 5.891 -5.016 1.00 0.00 O ATOM 234 CB LEU A 106 -6.020 3.225 -4.001 1.00 0.00 C ATOM 235 CG LEU A 106 -7.366 2.526 -3.793 1.00 0.00 C ATOM 236 CD1 LEU A 106 -7.579 1.448 -4.845 1.00 0.00 C ATOM 237 CD2 LEU A 106 -7.447 1.932 -2.396 1.00 0.00 C ATOM 0 H LEU A 106 -4.218 4.957 -4.600 1.00 0.00 H new ATOM 0 HA LEU A 106 -5.856 3.069 -6.140 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -5.222 2.502 -3.830 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.912 4.004 -3.246 1.00 0.00 H new ATOM 0 HG LEU A 106 -8.158 3.268 -3.899 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -8.541 0.963 -4.680 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -7.566 1.900 -5.837 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -6.783 0.707 -4.773 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -8.410 1.439 -2.266 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -6.646 1.205 -2.263 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -7.343 2.726 -1.656 1.00 0.00 H new ATOM 249 N GLU A 107 -7.786 4.520 -6.639 1.00 0.00 N ATOM 250 CA GLU A 107 -8.898 5.388 -7.008 1.00 0.00 C ATOM 251 C GLU A 107 -10.166 5.059 -6.223 1.00 0.00 C ATOM 252 O GLU A 107 -11.267 5.082 -6.770 1.00 0.00 O ATOM 253 CB GLU A 107 -9.168 5.310 -8.516 1.00 0.00 C ATOM 254 CG GLU A 107 -9.019 3.916 -9.115 1.00 0.00 C ATOM 255 CD GLU A 107 -9.846 2.862 -8.406 1.00 0.00 C ATOM 256 OE1 GLU A 107 -9.518 2.528 -7.248 1.00 0.00 O ATOM 257 OE2 GLU A 107 -10.824 2.370 -9.008 1.00 0.00 O ATOM 0 H GLU A 107 -7.721 3.661 -7.185 1.00 0.00 H new ATOM 0 HA GLU A 107 -8.610 6.408 -6.752 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -10.179 5.669 -8.710 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -8.485 5.987 -9.030 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -9.308 3.948 -10.165 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -7.969 3.625 -9.082 1.00 0.00 H new ATOM 264 N ASN A 108 -10.002 4.784 -4.931 1.00 0.00 N ATOM 265 CA ASN A 108 -11.130 4.478 -4.055 1.00 0.00 C ATOM 266 C ASN A 108 -10.749 4.685 -2.594 1.00 0.00 C ATOM 267 O ASN A 108 -11.307 4.047 -1.701 1.00 0.00 O ATOM 268 CB ASN A 108 -11.624 3.036 -4.247 1.00 0.00 C ATOM 269 CG ASN A 108 -12.239 2.793 -5.610 1.00 0.00 C ATOM 270 OD1 ASN A 108 -11.739 1.785 -6.314 1.00 0.00 O flip ATOM 271 ND2 ASN A 108 -13.166 3.492 -6.019 1.00 0.00 N flip ATOM 0 H ASN A 108 -9.094 4.767 -4.466 1.00 0.00 H new ATOM 0 HA ASN A 108 -11.936 5.161 -4.324 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -10.789 2.351 -4.105 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -12.360 2.805 -3.477 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -13.520 4.257 -5.445 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -13.580 3.306 -6.932 1.00 0.00 H new ATOM 278 N GLY A 109 -9.801 5.584 -2.355 1.00 0.00 N ATOM 279 CA GLY A 109 -9.371 5.856 -0.996 1.00 0.00 C ATOM 280 C GLY A 109 -8.021 6.533 -0.928 1.00 0.00 C ATOM 281 O GLY A 109 -7.663 7.329 -1.796 1.00 0.00 O ATOM 0 H GLY A 109 -9.324 6.127 -3.075 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -10.113 6.486 -0.505 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -9.330 4.920 -0.439 1.00 0.00 H new ATOM 285 N LYS A 110 -7.278 6.209 0.118 1.00 0.00 N ATOM 286 CA LYS A 110 -5.953 6.771 0.336 1.00 0.00 C ATOM 287 C LYS A 110 -5.009 5.718 0.903 1.00 0.00 C ATOM 288 O LYS A 110 -5.414 4.883 1.713 1.00 0.00 O ATOM 289 CB LYS A 110 -6.030 7.955 1.301 1.00 0.00 C ATOM 290 CG LYS A 110 -6.888 9.104 0.799 1.00 0.00 C ATOM 291 CD LYS A 110 -7.035 10.202 1.845 1.00 0.00 C ATOM 292 CE LYS A 110 -5.710 10.889 2.150 1.00 0.00 C ATOM 293 NZ LYS A 110 -4.763 9.997 2.875 1.00 0.00 N ATOM 0 H LYS A 110 -7.575 5.551 0.839 1.00 0.00 H new ATOM 0 HA LYS A 110 -5.569 7.112 -0.625 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -6.427 7.608 2.255 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.022 8.323 1.490 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.444 9.521 -0.105 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.874 8.728 0.526 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -7.753 10.942 1.493 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -7.440 9.775 2.762 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -5.252 11.220 1.218 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -5.895 11.781 2.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -4.326 10.520 3.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -5.278 9.175 3.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -4.022 9.672 2.221 1.00 0.00 H new ATOM 307 N VAL A 111 -3.751 5.764 0.485 1.00 0.00 N ATOM 308 CA VAL A 111 -2.759 4.815 0.968 1.00 0.00 C ATOM 309 C VAL A 111 -1.830 5.480 1.975 1.00 0.00 C ATOM 310 O VAL A 111 -1.149 6.456 1.657 1.00 0.00 O ATOM 311 CB VAL A 111 -1.922 4.231 -0.189 1.00 0.00 C ATOM 312 CG1 VAL A 111 -0.857 3.284 0.343 1.00 0.00 C ATOM 313 CG2 VAL A 111 -2.821 3.523 -1.192 1.00 0.00 C ATOM 0 H VAL A 111 -3.395 6.446 -0.185 1.00 0.00 H new ATOM 0 HA VAL A 111 -3.299 4.000 1.450 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.420 5.053 -0.699 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -0.278 2.883 -0.489 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.194 3.824 1.019 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -1.334 2.465 0.881 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -2.214 3.117 -2.001 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -3.352 2.712 -0.695 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -3.541 4.233 -1.599 1.00 0.00 H new ATOM 323 N PHE A 112 -1.814 4.950 3.193 1.00 0.00 N ATOM 324 CA PHE A 112 -0.976 5.494 4.254 1.00 0.00 C ATOM 325 C PHE A 112 0.493 5.186 3.998 1.00 0.00 C ATOM 326 O PHE A 112 0.878 4.026 3.855 1.00 0.00 O ATOM 327 CB PHE A 112 -1.406 4.928 5.611 1.00 0.00 C ATOM 328 CG PHE A 112 -2.753 5.416 6.084 1.00 0.00 C ATOM 329 CD1 PHE A 112 -3.797 5.615 5.190 1.00 0.00 C ATOM 330 CD2 PHE A 112 -2.972 5.672 7.428 1.00 0.00 C ATOM 331 CE1 PHE A 112 -5.029 6.060 5.628 1.00 0.00 C ATOM 332 CE2 PHE A 112 -4.204 6.117 7.872 1.00 0.00 C ATOM 333 CZ PHE A 112 -5.232 6.312 6.971 1.00 0.00 C ATOM 0 H PHE A 112 -2.373 4.143 3.470 1.00 0.00 H new ATOM 0 HA PHE A 112 -1.101 6.577 4.266 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -1.427 3.840 5.548 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -0.655 5.190 6.356 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -3.644 5.419 4.139 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -2.171 5.522 8.137 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -5.832 6.211 4.922 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -4.362 6.312 8.923 1.00 0.00 H new ATOM 0 HZ PHE A 112 -6.194 6.661 7.316 1.00 0.00 H new ATOM 343 N LEU A 113 1.307 6.232 3.938 1.00 0.00 N ATOM 344 CA LEU A 113 2.736 6.076 3.695 1.00 0.00 C ATOM 345 C LEU A 113 3.500 5.900 5.004 1.00 0.00 C ATOM 346 O LEU A 113 3.195 6.544 6.008 1.00 0.00 O ATOM 347 CB LEU A 113 3.273 7.284 2.910 1.00 0.00 C ATOM 348 CG LEU A 113 4.763 7.238 2.532 1.00 0.00 C ATOM 349 CD1 LEU A 113 5.645 7.582 3.724 1.00 0.00 C ATOM 350 CD2 LEU A 113 5.132 5.872 1.972 1.00 0.00 C ATOM 0 H LEU A 113 1.002 7.198 4.054 1.00 0.00 H new ATOM 0 HA LEU A 113 2.887 5.176 3.100 1.00 0.00 H new ATOM 0 HB2 LEU A 113 2.690 7.385 1.995 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.097 8.183 3.501 1.00 0.00 H new ATOM 0 HG LEU A 113 4.935 7.988 1.760 1.00 0.00 H new ATOM 0 HD11 LEU A 113 6.692 7.541 3.425 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.407 8.586 4.075 1.00 0.00 H new ATOM 0 HD13 LEU A 113 5.468 6.866 4.526 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.190 5.860 1.711 1.00 0.00 H new ATOM 0 HD22 LEU A 113 4.935 5.106 2.722 1.00 0.00 H new ATOM 0 HD23 LEU A 113 4.536 5.671 1.082 1.00 0.00 H new ATOM 362 N THR A 114 4.500 5.027 4.972 1.00 0.00 N ATOM 363 CA THR A 114 5.331 4.755 6.137 1.00 0.00 C ATOM 364 C THR A 114 6.671 4.173 5.694 1.00 0.00 C ATOM 365 O THR A 114 7.079 3.097 6.134 1.00 0.00 O ATOM 366 CB THR A 114 4.642 3.781 7.117 1.00 0.00 C ATOM 367 OG1 THR A 114 3.320 4.241 7.417 1.00 0.00 O ATOM 368 CG2 THR A 114 5.438 3.658 8.409 1.00 0.00 C ATOM 0 H THR A 114 4.756 4.491 4.143 1.00 0.00 H new ATOM 0 HA THR A 114 5.490 5.699 6.658 1.00 0.00 H new ATOM 0 HB THR A 114 4.591 2.802 6.641 1.00 0.00 H new ATOM 0 HG1 THR A 114 2.889 3.617 8.038 1.00 0.00 H new ATOM 0 HG21 THR A 114 4.933 2.967 9.083 1.00 0.00 H new ATOM 0 HG22 THR A 114 6.437 3.283 8.187 1.00 0.00 H new ATOM 0 HG23 THR A 114 5.515 4.636 8.883 1.00 0.00 H new ATOM 376 N GLY A 115 7.344 4.897 4.805 1.00 0.00 N ATOM 377 CA GLY A 115 8.624 4.456 4.293 1.00 0.00 C ATOM 378 C GLY A 115 9.545 5.620 3.994 1.00 0.00 C ATOM 379 O GLY A 115 10.087 6.240 4.910 1.00 0.00 O ATOM 0 H GLY A 115 7.020 5.788 4.429 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.098 3.796 5.020 1.00 0.00 H new ATOM 0 HA3 GLY A 115 8.470 3.873 3.385 1.00 0.00 H new ATOM 383 N GLY A 116 9.724 5.925 2.712 1.00 0.00 N ATOM 384 CA GLY A 116 10.588 7.029 2.335 1.00 0.00 C ATOM 385 C GLY A 116 10.954 7.033 0.861 1.00 0.00 C ATOM 386 O GLY A 116 10.080 7.006 -0.007 1.00 0.00 O ATOM 0 H GLY A 116 9.289 5.431 1.932 1.00 0.00 H new ATOM 0 HA2 GLY A 116 10.093 7.968 2.581 1.00 0.00 H new ATOM 0 HA3 GLY A 116 11.501 6.985 2.928 1.00 0.00 H new ATOM 390 N ASP A 117 12.256 7.083 0.586 1.00 0.00 N ATOM 391 CA ASP A 117 12.768 7.109 -0.782 1.00 0.00 C ATOM 392 C ASP A 117 14.273 6.850 -0.781 1.00 0.00 C ATOM 393 O ASP A 117 15.072 7.734 -1.093 1.00 0.00 O ATOM 394 CB ASP A 117 12.461 8.456 -1.440 1.00 0.00 C ATOM 395 CG ASP A 117 12.996 8.546 -2.856 1.00 0.00 C ATOM 396 OD1 ASP A 117 12.591 7.718 -3.698 1.00 0.00 O ATOM 397 OD2 ASP A 117 13.818 9.447 -3.123 1.00 0.00 O ATOM 0 H ASP A 117 12.982 7.107 1.302 1.00 0.00 H new ATOM 0 HA ASP A 117 12.276 6.324 -1.356 1.00 0.00 H new ATOM 0 HB2 ASP A 117 11.382 8.613 -1.452 1.00 0.00 H new ATOM 0 HB3 ASP A 117 12.893 9.257 -0.840 1.00 0.00 H new ATOM 402 N LEU A 118 14.643 5.632 -0.408 1.00 0.00 N ATOM 403 CA LEU A 118 16.038 5.228 -0.333 1.00 0.00 C ATOM 404 C LEU A 118 16.253 3.938 -1.116 1.00 0.00 C ATOM 405 O LEU A 118 15.285 3.294 -1.518 1.00 0.00 O ATOM 406 CB LEU A 118 16.429 5.023 1.131 1.00 0.00 C ATOM 407 CG LEU A 118 16.207 6.237 2.032 1.00 0.00 C ATOM 408 CD1 LEU A 118 16.494 5.883 3.482 1.00 0.00 C ATOM 409 CD2 LEU A 118 17.076 7.399 1.580 1.00 0.00 C ATOM 0 H LEU A 118 13.984 4.898 -0.149 1.00 0.00 H new ATOM 0 HA LEU A 118 16.663 6.008 -0.768 1.00 0.00 H new ATOM 0 HB2 LEU A 118 15.859 4.184 1.530 1.00 0.00 H new ATOM 0 HB3 LEU A 118 17.482 4.744 1.175 1.00 0.00 H new ATOM 0 HG LEU A 118 15.163 6.540 1.955 1.00 0.00 H new ATOM 0 HD11 LEU A 118 16.331 6.759 4.110 1.00 0.00 H new ATOM 0 HD12 LEU A 118 15.828 5.080 3.799 1.00 0.00 H new ATOM 0 HD13 LEU A 118 17.529 5.555 3.579 1.00 0.00 H new ATOM 0 HD21 LEU A 118 16.906 8.256 2.232 1.00 0.00 H new ATOM 0 HD22 LEU A 118 18.126 7.109 1.628 1.00 0.00 H new ATOM 0 HD23 LEU A 118 16.821 7.667 0.555 1.00 0.00 H new ATOM 421 N PRO A 119 17.519 3.543 -1.348 1.00 0.00 N ATOM 422 CA PRO A 119 17.841 2.325 -2.085 1.00 0.00 C ATOM 423 C PRO A 119 16.879 1.185 -1.760 1.00 0.00 C ATOM 424 O PRO A 119 17.038 0.493 -0.754 1.00 0.00 O ATOM 425 CB PRO A 119 19.249 2.002 -1.597 1.00 0.00 C ATOM 426 CG PRO A 119 19.864 3.333 -1.316 1.00 0.00 C ATOM 427 CD PRO A 119 18.737 4.257 -0.917 1.00 0.00 C ATOM 0 HA PRO A 119 17.765 2.454 -3.165 1.00 0.00 H new ATOM 0 HB2 PRO A 119 19.226 1.379 -0.703 1.00 0.00 H new ATOM 0 HB3 PRO A 119 19.815 1.455 -2.352 1.00 0.00 H new ATOM 0 HG2 PRO A 119 20.603 3.257 -0.518 1.00 0.00 H new ATOM 0 HG3 PRO A 119 20.383 3.713 -2.196 1.00 0.00 H new ATOM 0 HD2 PRO A 119 18.733 4.440 0.157 1.00 0.00 H new ATOM 0 HD3 PRO A 119 18.825 5.227 -1.406 1.00 0.00 H new ATOM 435 N ALA A 120 15.874 1.012 -2.620 1.00 0.00 N ATOM 436 CA ALA A 120 14.861 -0.028 -2.445 1.00 0.00 C ATOM 437 C ALA A 120 13.927 0.279 -1.275 1.00 0.00 C ATOM 438 O ALA A 120 12.822 -0.260 -1.202 1.00 0.00 O ATOM 439 CB ALA A 120 15.513 -1.392 -2.264 1.00 0.00 C ATOM 0 H ALA A 120 15.740 1.586 -3.453 1.00 0.00 H new ATOM 0 HA ALA A 120 14.257 -0.047 -3.352 1.00 0.00 H new ATOM 0 HB1 ALA A 120 14.741 -2.150 -2.136 1.00 0.00 H new ATOM 0 HB2 ALA A 120 16.111 -1.629 -3.144 1.00 0.00 H new ATOM 0 HB3 ALA A 120 16.154 -1.375 -1.383 1.00 0.00 H new ATOM 445 N LEU A 121 14.369 1.144 -0.365 1.00 0.00 N ATOM 446 CA LEU A 121 13.566 1.519 0.792 1.00 0.00 C ATOM 447 C LEU A 121 13.288 0.306 1.673 1.00 0.00 C ATOM 448 O LEU A 121 12.136 -0.002 1.981 1.00 0.00 O ATOM 449 CB LEU A 121 12.249 2.155 0.341 1.00 0.00 C ATOM 450 CG LEU A 121 11.481 2.887 1.440 1.00 0.00 C ATOM 451 CD1 LEU A 121 12.347 3.982 2.042 1.00 0.00 C ATOM 452 CD2 LEU A 121 10.185 3.463 0.892 1.00 0.00 C ATOM 0 H LEU A 121 15.281 1.598 -0.409 1.00 0.00 H new ATOM 0 HA LEU A 121 14.128 2.248 1.376 1.00 0.00 H new ATOM 0 HB2 LEU A 121 12.459 2.857 -0.466 1.00 0.00 H new ATOM 0 HB3 LEU A 121 11.609 1.376 -0.073 1.00 0.00 H new ATOM 0 HG LEU A 121 11.228 2.175 2.226 1.00 0.00 H new ATOM 0 HD11 LEU A 121 11.790 4.498 2.824 1.00 0.00 H new ATOM 0 HD12 LEU A 121 13.248 3.540 2.469 1.00 0.00 H new ATOM 0 HD13 LEU A 121 12.625 4.694 1.265 1.00 0.00 H new ATOM 0 HD21 LEU A 121 9.651 3.981 1.689 1.00 0.00 H new ATOM 0 HD22 LEU A 121 10.410 4.166 0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 121 9.564 2.656 0.504 1.00 0.00 H new ATOM 464 N ASP A 122 14.352 -0.384 2.070 1.00 0.00 N ATOM 465 CA ASP A 122 14.225 -1.568 2.911 1.00 0.00 C ATOM 466 C ASP A 122 13.483 -1.248 4.205 1.00 0.00 C ATOM 467 O ASP A 122 13.823 -0.298 4.911 1.00 0.00 O ATOM 468 CB ASP A 122 15.607 -2.139 3.234 1.00 0.00 C ATOM 469 CG ASP A 122 15.534 -3.362 4.127 1.00 0.00 C ATOM 470 OD1 ASP A 122 14.916 -4.364 3.711 1.00 0.00 O ATOM 471 OD2 ASP A 122 16.094 -3.318 5.243 1.00 0.00 O ATOM 0 H ASP A 122 15.312 -0.143 1.823 1.00 0.00 H new ATOM 0 HA ASP A 122 13.648 -2.310 2.359 1.00 0.00 H new ATOM 0 HB2 ASP A 122 16.115 -2.400 2.306 1.00 0.00 H new ATOM 0 HB3 ASP A 122 16.209 -1.372 3.722 1.00 0.00 H new ATOM 476 N GLY A 123 12.472 -2.055 4.509 1.00 0.00 N ATOM 477 CA GLY A 123 11.694 -1.856 5.718 1.00 0.00 C ATOM 478 C GLY A 123 10.577 -0.844 5.544 1.00 0.00 C ATOM 479 O GLY A 123 10.138 -0.223 6.512 1.00 0.00 O ATOM 0 H GLY A 123 12.177 -2.846 3.937 1.00 0.00 H new ATOM 0 HA2 GLY A 123 11.268 -2.809 6.030 1.00 0.00 H new ATOM 0 HA3 GLY A 123 12.355 -1.525 6.519 1.00 0.00 H new ATOM 483 N ALA A 124 10.102 -0.693 4.312 1.00 0.00 N ATOM 484 CA ALA A 124 9.014 0.232 4.019 1.00 0.00 C ATOM 485 C ALA A 124 7.675 -0.392 4.396 1.00 0.00 C ATOM 486 O ALA A 124 7.556 -1.614 4.471 1.00 0.00 O ATOM 487 CB ALA A 124 9.028 0.624 2.549 1.00 0.00 C ATOM 0 H ALA A 124 10.454 -1.200 3.500 1.00 0.00 H new ATOM 0 HA ALA A 124 9.155 1.135 4.614 1.00 0.00 H new ATOM 0 HB1 ALA A 124 8.209 1.315 2.349 1.00 0.00 H new ATOM 0 HB2 ALA A 124 9.976 1.106 2.310 1.00 0.00 H new ATOM 0 HB3 ALA A 124 8.909 -0.268 1.934 1.00 0.00 H new ATOM 493 N ARG A 125 6.670 0.442 4.639 1.00 0.00 N ATOM 494 CA ARG A 125 5.352 -0.058 5.015 1.00 0.00 C ATOM 495 C ARG A 125 4.253 0.932 4.640 1.00 0.00 C ATOM 496 O ARG A 125 4.446 2.144 4.702 1.00 0.00 O ATOM 497 CB ARG A 125 5.299 -0.347 6.517 1.00 0.00 C ATOM 498 CG ARG A 125 3.996 -0.994 6.965 1.00 0.00 C ATOM 499 CD ARG A 125 3.988 -1.268 8.460 1.00 0.00 C ATOM 500 NE ARG A 125 4.076 -0.040 9.247 1.00 0.00 N ATOM 501 CZ ARG A 125 3.150 0.915 9.236 1.00 0.00 C ATOM 502 NH1 ARG A 125 2.065 0.787 8.484 1.00 0.00 N ATOM 503 NH2 ARG A 125 3.307 2.001 9.981 1.00 0.00 N ATOM 0 H ARG A 125 6.741 1.458 4.583 1.00 0.00 H new ATOM 0 HA ARG A 125 5.181 -0.983 4.464 1.00 0.00 H new ATOM 0 HB2 ARG A 125 6.130 -1.000 6.783 1.00 0.00 H new ATOM 0 HB3 ARG A 125 5.439 0.586 7.064 1.00 0.00 H new ATOM 0 HG2 ARG A 125 3.160 -0.343 6.710 1.00 0.00 H new ATOM 0 HG3 ARG A 125 3.849 -1.928 6.423 1.00 0.00 H new ATOM 0 HD2 ARG A 125 3.076 -1.803 8.725 1.00 0.00 H new ATOM 0 HD3 ARG A 125 4.824 -1.920 8.713 1.00 0.00 H new ATOM 0 HE ARG A 125 4.896 0.093 9.840 1.00 0.00 H new ATOM 0 HH11 ARG A 125 1.937 -0.047 7.910 1.00 0.00 H new ATOM 0 HH12 ARG A 125 1.358 1.522 8.479 1.00 0.00 H new ATOM 0 HH21 ARG A 125 4.138 2.104 10.563 1.00 0.00 H new ATOM 0 HH22 ARG A 125 2.596 2.733 9.972 1.00 0.00 H new ATOM 517 N VAL A 126 3.099 0.397 4.255 1.00 0.00 N ATOM 518 CA VAL A 126 1.953 1.217 3.874 1.00 0.00 C ATOM 519 C VAL A 126 0.648 0.512 4.228 1.00 0.00 C ATOM 520 O VAL A 126 0.510 -0.699 4.031 1.00 0.00 O ATOM 521 CB VAL A 126 1.948 1.540 2.365 1.00 0.00 C ATOM 522 CG1 VAL A 126 3.162 2.375 1.988 1.00 0.00 C ATOM 523 CG2 VAL A 126 1.890 0.262 1.542 1.00 0.00 C ATOM 0 H VAL A 126 2.932 -0.608 4.198 1.00 0.00 H new ATOM 0 HA VAL A 126 2.038 2.151 4.430 1.00 0.00 H new ATOM 0 HB VAL A 126 1.055 2.125 2.144 1.00 0.00 H new ATOM 0 HG11 VAL A 126 3.138 2.591 0.920 1.00 0.00 H new ATOM 0 HG12 VAL A 126 3.148 3.310 2.548 1.00 0.00 H new ATOM 0 HG13 VAL A 126 4.071 1.823 2.226 1.00 0.00 H new ATOM 0 HG21 VAL A 126 1.887 0.512 0.481 1.00 0.00 H new ATOM 0 HG22 VAL A 126 2.760 -0.355 1.767 1.00 0.00 H new ATOM 0 HG23 VAL A 126 0.981 -0.288 1.787 1.00 0.00 H new ATOM 533 N GLU A 127 -0.306 1.275 4.755 1.00 0.00 N ATOM 534 CA GLU A 127 -1.599 0.722 5.134 1.00 0.00 C ATOM 535 C GLU A 127 -2.694 1.235 4.206 1.00 0.00 C ATOM 536 O GLU A 127 -2.979 2.432 4.168 1.00 0.00 O ATOM 537 CB GLU A 127 -1.928 1.086 6.583 1.00 0.00 C ATOM 538 CG GLU A 127 -3.240 0.498 7.076 1.00 0.00 C ATOM 539 CD GLU A 127 -3.536 0.862 8.518 1.00 0.00 C ATOM 540 OE1 GLU A 127 -3.644 2.070 8.816 1.00 0.00 O ATOM 541 OE2 GLU A 127 -3.661 -0.062 9.350 1.00 0.00 O ATOM 0 H GLU A 127 -0.207 2.275 4.928 1.00 0.00 H new ATOM 0 HA GLU A 127 -1.547 -0.363 5.045 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -1.120 0.741 7.228 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -1.968 2.171 6.676 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -4.053 0.851 6.442 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -3.207 -0.587 6.978 1.00 0.00 H new ATOM 548 N PHE A 128 -3.302 0.322 3.458 1.00 0.00 N ATOM 549 CA PHE A 128 -4.366 0.680 2.528 1.00 0.00 C ATOM 550 C PHE A 128 -5.657 1.000 3.275 1.00 0.00 C ATOM 551 O PHE A 128 -5.975 0.367 4.282 1.00 0.00 O ATOM 552 CB PHE A 128 -4.606 -0.450 1.523 1.00 0.00 C ATOM 553 CG PHE A 128 -3.423 -0.738 0.638 1.00 0.00 C ATOM 554 CD1 PHE A 128 -2.198 -1.099 1.182 1.00 0.00 C ATOM 555 CD2 PHE A 128 -3.536 -0.643 -0.740 1.00 0.00 C ATOM 556 CE1 PHE A 128 -1.112 -1.360 0.369 1.00 0.00 C ATOM 557 CE2 PHE A 128 -2.451 -0.903 -1.557 1.00 0.00 C ATOM 558 CZ PHE A 128 -1.239 -1.262 -1.003 1.00 0.00 C ATOM 0 H PHE A 128 -3.076 -0.672 3.477 1.00 0.00 H new ATOM 0 HA PHE A 128 -4.051 1.571 1.985 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -4.870 -1.357 2.067 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -5.461 -0.192 0.898 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -2.093 -1.177 2.254 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -4.481 -0.363 -1.180 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -0.165 -1.640 0.806 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -2.552 -0.825 -2.629 1.00 0.00 H new ATOM 0 HZ PHE A 128 -0.392 -1.466 -1.641 1.00 0.00 H new ATOM 568 N ARG A 129 -6.394 1.986 2.776 1.00 0.00 N ATOM 569 CA ARG A 129 -7.650 2.392 3.396 1.00 0.00 C ATOM 570 C ARG A 129 -8.555 3.080 2.380 1.00 0.00 C ATOM 571 O ARG A 129 -8.208 4.125 1.833 1.00 0.00 O ATOM 572 CB ARG A 129 -7.376 3.332 4.573 1.00 0.00 C ATOM 573 CG ARG A 129 -8.631 3.781 5.306 1.00 0.00 C ATOM 574 CD ARG A 129 -9.348 2.608 5.954 1.00 0.00 C ATOM 575 NE ARG A 129 -10.567 3.026 6.641 1.00 0.00 N ATOM 576 CZ ARG A 129 -11.373 2.190 7.288 1.00 0.00 C ATOM 577 NH1 ARG A 129 -11.088 0.896 7.341 1.00 0.00 N ATOM 578 NH2 ARG A 129 -12.466 2.648 7.884 1.00 0.00 N ATOM 0 H ARG A 129 -6.143 2.519 1.943 1.00 0.00 H new ATOM 0 HA ARG A 129 -8.157 1.499 3.762 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -6.714 2.831 5.279 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -6.846 4.211 4.208 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -8.366 4.513 6.069 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -9.303 4.279 4.607 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -9.596 1.869 5.192 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -8.680 2.122 6.665 1.00 0.00 H new ATOM 0 HE ARG A 129 -10.814 4.015 6.623 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -10.248 0.540 6.885 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -11.708 0.257 7.838 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -12.689 3.643 7.846 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -13.084 2.006 8.380 1.00 0.00 H new ATOM 592 N CYS A 130 -9.716 2.484 2.131 1.00 0.00 N ATOM 593 CA CYS A 130 -10.674 3.035 1.178 1.00 0.00 C ATOM 594 C CYS A 130 -11.685 3.950 1.864 1.00 0.00 C ATOM 595 O CYS A 130 -11.927 3.838 3.066 1.00 0.00 O ATOM 596 CB CYS A 130 -11.390 1.909 0.430 1.00 0.00 C ATOM 597 SG CYS A 130 -10.318 1.006 -0.736 1.00 0.00 S ATOM 0 H CYS A 130 -10.017 1.617 2.577 1.00 0.00 H new ATOM 0 HA CYS A 130 -10.119 3.638 0.459 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -11.797 1.205 1.155 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -12.235 2.328 -0.117 1.00 0.00 H new ATOM 602 N ASP A 131 -12.264 4.860 1.084 1.00 0.00 N ATOM 603 CA ASP A 131 -13.248 5.813 1.593 1.00 0.00 C ATOM 604 C ASP A 131 -14.379 5.105 2.339 1.00 0.00 C ATOM 605 O ASP A 131 -14.677 3.942 2.067 1.00 0.00 O ATOM 606 CB ASP A 131 -13.822 6.637 0.440 1.00 0.00 C ATOM 607 CG ASP A 131 -12.761 7.453 -0.273 1.00 0.00 C ATOM 608 OD1 ASP A 131 -12.128 8.306 0.384 1.00 0.00 O ATOM 609 OD2 ASP A 131 -12.562 7.237 -1.487 1.00 0.00 O ATOM 0 H ASP A 131 -12.066 4.958 0.088 1.00 0.00 H new ATOM 0 HA ASP A 131 -12.742 6.473 2.297 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -14.304 5.970 -0.275 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -14.593 7.305 0.823 1.00 0.00 H new ATOM 614 N PRO A 132 -15.020 5.804 3.299 1.00 0.00 N ATOM 615 CA PRO A 132 -16.124 5.248 4.097 1.00 0.00 C ATOM 616 C PRO A 132 -17.296 4.782 3.236 1.00 0.00 C ATOM 617 O PRO A 132 -18.310 5.471 3.118 1.00 0.00 O ATOM 618 CB PRO A 132 -16.552 6.415 4.997 1.00 0.00 C ATOM 619 CG PRO A 132 -15.990 7.635 4.350 1.00 0.00 C ATOM 620 CD PRO A 132 -14.720 7.193 3.684 1.00 0.00 C ATOM 0 HA PRO A 132 -15.809 4.363 4.649 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -17.638 6.475 5.074 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -16.167 6.293 6.009 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -16.689 8.050 3.624 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -15.795 8.414 5.087 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -14.481 7.810 2.818 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -13.867 7.250 4.361 1.00 0.00 H new ATOM 628 N ASP A 133 -17.141 3.606 2.642 1.00 0.00 N ATOM 629 CA ASP A 133 -18.166 3.020 1.788 1.00 0.00 C ATOM 630 C ASP A 133 -17.712 1.646 1.312 1.00 0.00 C ATOM 631 O ASP A 133 -18.511 0.715 1.201 1.00 0.00 O ATOM 632 CB ASP A 133 -18.453 3.927 0.589 1.00 0.00 C ATOM 633 CG ASP A 133 -19.580 3.402 -0.282 1.00 0.00 C ATOM 634 OD1 ASP A 133 -19.436 2.294 -0.839 1.00 0.00 O ATOM 635 OD2 ASP A 133 -20.607 4.102 -0.408 1.00 0.00 O ATOM 0 H ASP A 133 -16.303 3.032 2.738 1.00 0.00 H new ATOM 0 HA ASP A 133 -19.085 2.915 2.364 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -18.709 4.925 0.946 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -17.549 4.025 -0.012 1.00 0.00 H new ATOM 640 N PHE A 134 -16.417 1.533 1.044 1.00 0.00 N ATOM 641 CA PHE A 134 -15.826 0.282 0.590 1.00 0.00 C ATOM 642 C PHE A 134 -14.969 -0.320 1.698 1.00 0.00 C ATOM 643 O PHE A 134 -14.183 0.387 2.332 1.00 0.00 O ATOM 644 CB PHE A 134 -14.961 0.514 -0.655 1.00 0.00 C ATOM 645 CG PHE A 134 -15.686 1.146 -1.814 1.00 0.00 C ATOM 646 CD1 PHE A 134 -16.309 2.377 -1.678 1.00 0.00 C ATOM 647 CD2 PHE A 134 -15.739 0.507 -3.042 1.00 0.00 C ATOM 648 CE1 PHE A 134 -16.968 2.959 -2.744 1.00 0.00 C ATOM 649 CE2 PHE A 134 -16.398 1.084 -4.113 1.00 0.00 C ATOM 650 CZ PHE A 134 -17.013 2.312 -3.962 1.00 0.00 C ATOM 0 H PHE A 134 -15.751 2.301 1.135 1.00 0.00 H new ATOM 0 HA PHE A 134 -16.632 -0.407 0.336 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -14.117 1.148 -0.382 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -14.550 -0.442 -0.979 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -16.279 2.888 -0.727 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -15.260 -0.453 -3.165 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -17.447 3.919 -2.624 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -16.432 0.576 -5.065 1.00 0.00 H new ATOM 0 HZ PHE A 134 -17.528 2.765 -4.796 1.00 0.00 H new ATOM 660 N HIS A 135 -15.112 -1.620 1.932 1.00 0.00 N ATOM 661 CA HIS A 135 -14.334 -2.284 2.971 1.00 0.00 C ATOM 662 C HIS A 135 -13.182 -3.080 2.364 1.00 0.00 C ATOM 663 O HIS A 135 -13.377 -3.893 1.458 1.00 0.00 O ATOM 664 CB HIS A 135 -15.228 -3.191 3.824 1.00 0.00 C ATOM 665 CG HIS A 135 -15.937 -4.259 3.052 1.00 0.00 C ATOM 666 ND1 HIS A 135 -16.828 -3.991 2.035 1.00 0.00 N ATOM 667 CD2 HIS A 135 -15.892 -5.608 3.163 1.00 0.00 C ATOM 668 CE1 HIS A 135 -17.301 -5.128 1.555 1.00 0.00 C ATOM 669 NE2 HIS A 135 -16.748 -6.123 2.223 1.00 0.00 N ATOM 0 H HIS A 135 -15.752 -2.229 1.422 1.00 0.00 H new ATOM 0 HA HIS A 135 -13.911 -1.515 3.618 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -14.618 -3.661 4.596 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -15.969 -2.575 4.334 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -15.293 -6.173 3.862 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -18.018 -5.226 0.753 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -16.928 -7.115 2.066 1.00 0.00 H new ATOM 678 N LEU A 136 -11.979 -2.823 2.868 1.00 0.00 N ATOM 679 CA LEU A 136 -10.773 -3.491 2.389 1.00 0.00 C ATOM 680 C LEU A 136 -10.757 -4.961 2.802 1.00 0.00 C ATOM 681 O LEU A 136 -10.916 -5.286 3.979 1.00 0.00 O ATOM 682 CB LEU A 136 -9.538 -2.768 2.931 1.00 0.00 C ATOM 683 CG LEU A 136 -8.187 -3.332 2.488 1.00 0.00 C ATOM 684 CD1 LEU A 136 -8.130 -3.478 0.975 1.00 0.00 C ATOM 685 CD2 LEU A 136 -7.062 -2.436 2.979 1.00 0.00 C ATOM 0 H LEU A 136 -11.813 -2.150 3.616 1.00 0.00 H new ATOM 0 HA LEU A 136 -10.763 -3.454 1.300 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -9.591 -1.722 2.628 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -9.578 -2.787 4.020 1.00 0.00 H new ATOM 0 HG LEU A 136 -8.066 -4.322 2.927 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -7.160 -3.881 0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -8.918 -4.155 0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -8.272 -2.503 0.510 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -6.104 -2.846 2.659 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -7.186 -1.436 2.564 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -7.088 -2.383 4.067 1.00 0.00 H new ATOM 697 N VAL A 137 -10.575 -5.845 1.825 1.00 0.00 N ATOM 698 CA VAL A 137 -10.549 -7.282 2.085 1.00 0.00 C ATOM 699 C VAL A 137 -9.406 -7.969 1.339 1.00 0.00 C ATOM 700 O VAL A 137 -9.641 -8.752 0.417 1.00 0.00 O ATOM 701 CB VAL A 137 -11.880 -7.946 1.679 1.00 0.00 C ATOM 702 CG1 VAL A 137 -11.893 -9.417 2.069 1.00 0.00 C ATOM 703 CG2 VAL A 137 -13.058 -7.214 2.305 1.00 0.00 C ATOM 0 H VAL A 137 -10.443 -5.592 0.846 1.00 0.00 H new ATOM 0 HA VAL A 137 -10.396 -7.402 3.157 1.00 0.00 H new ATOM 0 HB VAL A 137 -11.974 -7.882 0.595 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -12.842 -9.864 1.772 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -11.076 -9.934 1.566 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -11.771 -9.508 3.148 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -13.988 -7.698 2.006 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -12.968 -7.241 3.391 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -13.064 -6.178 1.967 1.00 0.00 H new ATOM 713 N GLY A 138 -8.167 -7.678 1.728 1.00 0.00 N ATOM 714 CA GLY A 138 -7.036 -8.295 1.061 1.00 0.00 C ATOM 715 C GLY A 138 -5.709 -7.955 1.706 1.00 0.00 C ATOM 716 O GLY A 138 -5.576 -7.997 2.928 1.00 0.00 O ATOM 0 H GLY A 138 -7.929 -7.035 2.483 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -7.167 -9.377 1.062 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -7.019 -7.977 0.019 1.00 0.00 H new ATOM 720 N SER A 139 -4.726 -7.627 0.873 1.00 0.00 N ATOM 721 CA SER A 139 -3.396 -7.277 1.340 1.00 0.00 C ATOM 722 C SER A 139 -3.383 -5.878 1.947 1.00 0.00 C ATOM 723 O SER A 139 -2.606 -5.017 1.532 1.00 0.00 O ATOM 724 CB SER A 139 -2.410 -7.351 0.180 1.00 0.00 C ATOM 725 OG SER A 139 -2.340 -8.663 -0.352 1.00 0.00 O ATOM 0 H SER A 139 -4.832 -7.597 -0.141 1.00 0.00 H new ATOM 0 HA SER A 139 -3.102 -7.986 2.114 1.00 0.00 H new ATOM 0 HB2 SER A 139 -2.712 -6.655 -0.602 1.00 0.00 H new ATOM 0 HB3 SER A 139 -1.422 -7.040 0.519 1.00 0.00 H new ATOM 0 HG SER A 139 -2.133 -8.617 -1.309 1.00 0.00 H new ATOM 731 N SER A 140 -4.254 -5.660 2.924 1.00 0.00 N ATOM 732 CA SER A 140 -4.361 -4.371 3.591 1.00 0.00 C ATOM 733 C SER A 140 -2.987 -3.853 4.009 1.00 0.00 C ATOM 734 O SER A 140 -2.678 -2.676 3.826 1.00 0.00 O ATOM 735 CB SER A 140 -5.279 -4.494 4.808 1.00 0.00 C ATOM 736 OG SER A 140 -5.437 -3.245 5.458 1.00 0.00 O ATOM 0 H SER A 140 -4.901 -6.367 3.274 1.00 0.00 H new ATOM 0 HA SER A 140 -4.788 -3.653 2.891 1.00 0.00 H new ATOM 0 HB2 SER A 140 -6.253 -4.870 4.496 1.00 0.00 H new ATOM 0 HB3 SER A 140 -4.866 -5.221 5.507 1.00 0.00 H new ATOM 0 HG SER A 140 -6.029 -3.351 6.231 1.00 0.00 H new ATOM 742 N ARG A 141 -2.165 -4.739 4.560 1.00 0.00 N ATOM 743 CA ARG A 141 -0.821 -4.367 4.992 1.00 0.00 C ATOM 744 C ARG A 141 0.220 -4.835 3.977 1.00 0.00 C ATOM 745 O ARG A 141 0.183 -5.979 3.524 1.00 0.00 O ATOM 746 CB ARG A 141 -0.507 -4.964 6.368 1.00 0.00 C ATOM 747 CG ARG A 141 -1.467 -4.532 7.471 1.00 0.00 C ATOM 748 CD ARG A 141 -2.832 -5.190 7.326 1.00 0.00 C ATOM 749 NE ARG A 141 -3.735 -4.830 8.416 1.00 0.00 N ATOM 750 CZ ARG A 141 -4.169 -3.592 8.642 1.00 0.00 C ATOM 751 NH1 ARG A 141 -3.801 -2.599 7.844 1.00 0.00 N ATOM 752 NH2 ARG A 141 -4.977 -3.349 9.665 1.00 0.00 N ATOM 0 H ARG A 141 -2.404 -5.718 4.718 1.00 0.00 H new ATOM 0 HA ARG A 141 -0.782 -3.280 5.063 1.00 0.00 H new ATOM 0 HB2 ARG A 141 -0.524 -6.051 6.292 1.00 0.00 H new ATOM 0 HB3 ARG A 141 0.506 -4.680 6.652 1.00 0.00 H new ATOM 0 HG2 ARG A 141 -1.043 -4.787 8.442 1.00 0.00 H new ATOM 0 HG3 ARG A 141 -1.582 -3.448 7.448 1.00 0.00 H new ATOM 0 HD2 ARG A 141 -3.277 -4.895 6.375 1.00 0.00 H new ATOM 0 HD3 ARG A 141 -2.711 -6.273 7.299 1.00 0.00 H new ATOM 0 HE ARG A 141 -4.052 -5.571 9.041 1.00 0.00 H new ATOM 0 HH11 ARG A 141 -3.183 -2.782 7.053 1.00 0.00 H new ATOM 0 HH12 ARG A 141 -4.136 -1.652 8.021 1.00 0.00 H new ATOM 0 HH21 ARG A 141 -5.266 -4.111 10.279 1.00 0.00 H new ATOM 0 HH22 ARG A 141 -5.309 -2.400 9.838 1.00 0.00 H new ATOM 766 N SER A 142 1.150 -3.949 3.628 1.00 0.00 N ATOM 767 CA SER A 142 2.202 -4.282 2.666 1.00 0.00 C ATOM 768 C SER A 142 3.565 -3.820 3.175 1.00 0.00 C ATOM 769 O SER A 142 3.726 -2.670 3.586 1.00 0.00 O ATOM 770 CB SER A 142 1.905 -3.635 1.312 1.00 0.00 C ATOM 771 OG SER A 142 0.663 -4.080 0.797 1.00 0.00 O ATOM 0 H SER A 142 1.198 -2.998 3.994 1.00 0.00 H new ATOM 0 HA SER A 142 2.225 -5.365 2.546 1.00 0.00 H new ATOM 0 HB2 SER A 142 1.891 -2.550 1.419 1.00 0.00 H new ATOM 0 HB3 SER A 142 2.702 -3.875 0.608 1.00 0.00 H new ATOM 0 HG SER A 142 0.548 -5.032 0.997 1.00 0.00 H new ATOM 777 N VAL A 143 4.541 -4.723 3.147 1.00 0.00 N ATOM 778 CA VAL A 143 5.888 -4.405 3.609 1.00 0.00 C ATOM 779 C VAL A 143 6.901 -4.501 2.472 1.00 0.00 C ATOM 780 O VAL A 143 7.024 -5.536 1.820 1.00 0.00 O ATOM 781 CB VAL A 143 6.321 -5.342 4.753 1.00 0.00 C ATOM 782 CG1 VAL A 143 7.757 -5.059 5.171 1.00 0.00 C ATOM 783 CG2 VAL A 143 5.377 -5.205 5.938 1.00 0.00 C ATOM 0 H VAL A 143 4.425 -5.679 2.810 1.00 0.00 H new ATOM 0 HA VAL A 143 5.863 -3.379 3.977 1.00 0.00 H new ATOM 0 HB VAL A 143 6.272 -6.369 4.392 1.00 0.00 H new ATOM 0 HG11 VAL A 143 8.040 -5.733 5.980 1.00 0.00 H new ATOM 0 HG12 VAL A 143 8.421 -5.214 4.320 1.00 0.00 H new ATOM 0 HG13 VAL A 143 7.840 -4.027 5.513 1.00 0.00 H new ATOM 0 HG21 VAL A 143 5.697 -5.874 6.737 1.00 0.00 H new ATOM 0 HG22 VAL A 143 5.392 -4.176 6.298 1.00 0.00 H new ATOM 0 HG23 VAL A 143 4.365 -5.467 5.629 1.00 0.00 H new ATOM 793 N CYS A 144 7.623 -3.410 2.245 1.00 0.00 N ATOM 794 CA CYS A 144 8.629 -3.357 1.190 1.00 0.00 C ATOM 795 C CYS A 144 10.029 -3.542 1.770 1.00 0.00 C ATOM 796 O CYS A 144 10.313 -3.094 2.881 1.00 0.00 O ATOM 797 CB CYS A 144 8.535 -2.021 0.455 1.00 0.00 C ATOM 798 SG CYS A 144 9.589 -1.893 -1.023 1.00 0.00 S ATOM 0 H CYS A 144 7.530 -2.546 2.780 1.00 0.00 H new ATOM 0 HA CYS A 144 8.441 -4.168 0.486 1.00 0.00 H new ATOM 0 HB2 CYS A 144 7.498 -1.855 0.161 1.00 0.00 H new ATOM 0 HB3 CYS A 144 8.802 -1.222 1.146 1.00 0.00 H new ATOM 803 N SER A 145 10.901 -4.203 1.014 1.00 0.00 N ATOM 804 CA SER A 145 12.270 -4.442 1.460 1.00 0.00 C ATOM 805 C SER A 145 13.135 -4.952 0.312 1.00 0.00 C ATOM 806 O SER A 145 14.024 -5.781 0.510 1.00 0.00 O ATOM 807 CB SER A 145 12.283 -5.451 2.611 1.00 0.00 C ATOM 808 OG SER A 145 11.734 -6.694 2.207 1.00 0.00 O ATOM 0 H SER A 145 10.685 -4.582 0.092 1.00 0.00 H new ATOM 0 HA SER A 145 12.683 -3.496 1.809 1.00 0.00 H new ATOM 0 HB2 SER A 145 13.306 -5.598 2.959 1.00 0.00 H new ATOM 0 HB3 SER A 145 11.714 -5.055 3.452 1.00 0.00 H new ATOM 0 HG SER A 145 11.756 -7.321 2.960 1.00 0.00 H new ATOM 814 N GLN A 146 12.867 -4.440 -0.887 1.00 0.00 N ATOM 815 CA GLN A 146 13.610 -4.825 -2.083 1.00 0.00 C ATOM 816 C GLN A 146 13.012 -4.155 -3.315 1.00 0.00 C ATOM 817 O GLN A 146 12.897 -4.768 -4.377 1.00 0.00 O ATOM 818 CB GLN A 146 13.591 -6.347 -2.257 1.00 0.00 C ATOM 819 CG GLN A 146 12.190 -6.931 -2.341 1.00 0.00 C ATOM 820 CD GLN A 146 12.194 -8.443 -2.459 1.00 0.00 C ATOM 821 OE1 GLN A 146 12.751 -9.003 -3.402 1.00 0.00 O ATOM 822 NE2 GLN A 146 11.569 -9.112 -1.497 1.00 0.00 N ATOM 0 H GLN A 146 12.134 -3.751 -1.056 1.00 0.00 H new ATOM 0 HA GLN A 146 14.643 -4.497 -1.967 1.00 0.00 H new ATOM 0 HB2 GLN A 146 14.140 -6.608 -3.162 1.00 0.00 H new ATOM 0 HB3 GLN A 146 14.118 -6.807 -1.421 1.00 0.00 H new ATOM 0 HG2 GLN A 146 11.626 -6.641 -1.455 1.00 0.00 H new ATOM 0 HG3 GLN A 146 11.674 -6.505 -3.201 1.00 0.00 H new ATOM 0 HE21 GLN A 146 11.120 -8.607 -0.733 1.00 0.00 H new ATOM 0 HE22 GLN A 146 11.538 -10.131 -1.522 1.00 0.00 H new ATOM 831 N GLY A 147 12.622 -2.893 -3.159 1.00 0.00 N ATOM 832 CA GLY A 147 12.026 -2.155 -4.257 1.00 0.00 C ATOM 833 C GLY A 147 10.731 -2.789 -4.736 1.00 0.00 C ATOM 834 O GLY A 147 10.196 -2.416 -5.780 1.00 0.00 O ATOM 0 H GLY A 147 12.709 -2.368 -2.289 1.00 0.00 H new ATOM 0 HA2 GLY A 147 11.832 -1.130 -3.941 1.00 0.00 H new ATOM 0 HA3 GLY A 147 12.733 -2.105 -5.085 1.00 0.00 H new ATOM 838 N GLN A 148 10.227 -3.751 -3.964 1.00 0.00 N ATOM 839 CA GLN A 148 8.985 -4.443 -4.301 1.00 0.00 C ATOM 840 C GLN A 148 8.168 -4.725 -3.041 1.00 0.00 C ATOM 841 O GLN A 148 8.710 -5.174 -2.031 1.00 0.00 O ATOM 842 CB GLN A 148 9.287 -5.754 -5.031 1.00 0.00 C ATOM 843 CG GLN A 148 8.044 -6.514 -5.467 1.00 0.00 C ATOM 844 CD GLN A 148 7.212 -5.750 -6.480 1.00 0.00 C ATOM 845 OE1 GLN A 148 6.713 -4.660 -6.199 1.00 0.00 O ATOM 846 NE2 GLN A 148 7.059 -6.322 -7.668 1.00 0.00 N ATOM 0 H GLN A 148 10.662 -4.069 -3.098 1.00 0.00 H new ATOM 0 HA GLN A 148 8.402 -3.798 -4.958 1.00 0.00 H new ATOM 0 HB2 GLN A 148 9.896 -5.538 -5.909 1.00 0.00 H new ATOM 0 HB3 GLN A 148 9.882 -6.393 -4.379 1.00 0.00 H new ATOM 0 HG2 GLN A 148 8.341 -7.471 -5.896 1.00 0.00 H new ATOM 0 HG3 GLN A 148 7.432 -6.733 -4.592 1.00 0.00 H new ATOM 0 HE21 GLN A 148 7.490 -7.227 -7.858 1.00 0.00 H new ATOM 0 HE22 GLN A 148 6.510 -5.857 -8.391 1.00 0.00 H new ATOM 855 N TRP A 149 6.867 -4.458 -3.103 1.00 0.00 N ATOM 856 CA TRP A 149 5.989 -4.687 -1.958 1.00 0.00 C ATOM 857 C TRP A 149 5.736 -6.174 -1.749 1.00 0.00 C ATOM 858 O TRP A 149 5.507 -6.916 -2.704 1.00 0.00 O ATOM 859 CB TRP A 149 4.660 -3.955 -2.139 1.00 0.00 C ATOM 860 CG TRP A 149 4.827 -2.504 -2.459 1.00 0.00 C ATOM 861 CD1 TRP A 149 4.918 -1.948 -3.699 1.00 0.00 C ATOM 862 CD2 TRP A 149 4.953 -1.429 -1.523 1.00 0.00 C ATOM 863 NE1 TRP A 149 5.071 -0.589 -3.594 1.00 0.00 N ATOM 864 CE2 TRP A 149 5.098 -0.245 -2.269 1.00 0.00 C ATOM 865 CE3 TRP A 149 4.948 -1.349 -0.127 1.00 0.00 C ATOM 866 CZ2 TRP A 149 5.239 1.002 -1.668 1.00 0.00 C ATOM 867 CZ3 TRP A 149 5.091 -0.110 0.469 1.00 0.00 C ATOM 868 CH2 TRP A 149 5.234 1.051 -0.301 1.00 0.00 C ATOM 0 H TRP A 149 6.398 -4.085 -3.929 1.00 0.00 H new ATOM 0 HA TRP A 149 6.491 -4.293 -1.074 1.00 0.00 H new ATOM 0 HB2 TRP A 149 4.094 -4.434 -2.938 1.00 0.00 H new ATOM 0 HB3 TRP A 149 4.071 -4.054 -1.227 1.00 0.00 H new ATOM 0 HD1 TRP A 149 4.876 -2.497 -4.628 1.00 0.00 H new ATOM 0 HE1 TRP A 149 5.152 0.060 -4.376 1.00 0.00 H new ATOM 0 HE3 TRP A 149 4.835 -2.239 0.474 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 5.348 1.899 -2.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 5.092 -0.036 1.546 1.00 0.00 H new ATOM 0 HH2 TRP A 149 5.343 2.004 0.195 1.00 0.00 H new ATOM 879 N SER A 150 5.780 -6.601 -0.491 1.00 0.00 N ATOM 880 CA SER A 150 5.557 -7.999 -0.147 1.00 0.00 C ATOM 881 C SER A 150 4.197 -8.482 -0.640 1.00 0.00 C ATOM 882 O SER A 150 4.113 -9.427 -1.426 1.00 0.00 O ATOM 883 CB SER A 150 5.657 -8.194 1.367 1.00 0.00 C ATOM 884 OG SER A 150 5.447 -9.549 1.723 1.00 0.00 O ATOM 0 H SER A 150 5.969 -5.996 0.308 1.00 0.00 H new ATOM 0 HA SER A 150 6.329 -8.590 -0.640 1.00 0.00 H new ATOM 0 HB2 SER A 150 6.639 -7.872 1.714 1.00 0.00 H new ATOM 0 HB3 SER A 150 4.920 -7.565 1.867 1.00 0.00 H new ATOM 0 HG SER A 150 5.518 -9.646 2.696 1.00 0.00 H new ATOM 890 N THR A 151 3.130 -7.838 -0.170 1.00 0.00 N ATOM 891 CA THR A 151 1.780 -8.221 -0.566 1.00 0.00 C ATOM 892 C THR A 151 1.256 -7.358 -1.714 1.00 0.00 C ATOM 893 O THR A 151 1.386 -6.135 -1.691 1.00 0.00 O ATOM 894 CB THR A 151 0.805 -8.125 0.619 1.00 0.00 C ATOM 895 OG1 THR A 151 0.755 -6.779 1.105 1.00 0.00 O ATOM 896 CG2 THR A 151 1.225 -9.061 1.742 1.00 0.00 C ATOM 0 H THR A 151 3.175 -7.054 0.481 1.00 0.00 H new ATOM 0 HA THR A 151 1.839 -9.255 -0.905 1.00 0.00 H new ATOM 0 HB THR A 151 -0.185 -8.421 0.272 1.00 0.00 H new ATOM 0 HG1 THR A 151 0.274 -6.757 1.959 1.00 0.00 H new ATOM 0 HG21 THR A 151 0.520 -8.976 2.569 1.00 0.00 H new ATOM 0 HG22 THR A 151 1.233 -10.088 1.376 1.00 0.00 H new ATOM 0 HG23 THR A 151 2.223 -8.791 2.086 1.00 0.00 H new ATOM 904 N PRO A 152 0.645 -7.993 -2.733 1.00 0.00 N ATOM 905 CA PRO A 152 0.085 -7.287 -3.893 1.00 0.00 C ATOM 906 C PRO A 152 -1.120 -6.432 -3.513 1.00 0.00 C ATOM 907 O PRO A 152 -1.886 -6.793 -2.622 1.00 0.00 O ATOM 908 CB PRO A 152 -0.342 -8.417 -4.845 1.00 0.00 C ATOM 909 CG PRO A 152 0.298 -9.655 -4.310 1.00 0.00 C ATOM 910 CD PRO A 152 0.440 -9.445 -2.833 1.00 0.00 C ATOM 0 HA PRO A 152 0.806 -6.599 -4.334 1.00 0.00 H new ATOM 0 HB2 PRO A 152 -1.427 -8.517 -4.873 1.00 0.00 H new ATOM 0 HB3 PRO A 152 -0.014 -8.215 -5.865 1.00 0.00 H new ATOM 0 HG2 PRO A 152 -0.313 -10.532 -4.522 1.00 0.00 H new ATOM 0 HG3 PRO A 152 1.269 -9.824 -4.775 1.00 0.00 H new ATOM 0 HD2 PRO A 152 -0.449 -9.767 -2.291 1.00 0.00 H new ATOM 0 HD3 PRO A 152 1.283 -10.002 -2.424 1.00 0.00 H new ATOM 918 N LYS A 153 -1.281 -5.297 -4.189 1.00 0.00 N ATOM 919 CA LYS A 153 -2.396 -4.393 -3.910 1.00 0.00 C ATOM 920 C LYS A 153 -3.727 -5.150 -3.919 1.00 0.00 C ATOM 921 O LYS A 153 -4.076 -5.792 -4.909 1.00 0.00 O ATOM 922 CB LYS A 153 -2.427 -3.263 -4.943 1.00 0.00 C ATOM 923 CG LYS A 153 -3.486 -2.207 -4.670 1.00 0.00 C ATOM 924 CD LYS A 153 -3.468 -1.117 -5.729 1.00 0.00 C ATOM 925 CE LYS A 153 -4.493 -0.034 -5.433 1.00 0.00 C ATOM 926 NZ LYS A 153 -4.507 1.018 -6.487 1.00 0.00 N ATOM 0 H LYS A 153 -0.657 -4.981 -4.931 1.00 0.00 H new ATOM 0 HA LYS A 153 -2.251 -3.966 -2.918 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -1.449 -2.783 -4.972 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -2.601 -3.691 -5.930 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -4.470 -2.675 -4.644 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -3.317 -1.765 -3.688 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -2.473 -0.674 -5.779 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -3.672 -1.555 -6.706 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -5.483 -0.483 -5.354 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -4.272 0.422 -4.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -4.163 1.914 -6.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -3.890 0.730 -7.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -5.478 1.145 -6.838 1.00 0.00 H new ATOM 940 N PRO A 154 -4.487 -5.089 -2.807 1.00 0.00 N ATOM 941 CA PRO A 154 -5.778 -5.778 -2.689 1.00 0.00 C ATOM 942 C PRO A 154 -6.895 -5.086 -3.465 1.00 0.00 C ATOM 943 O PRO A 154 -6.647 -4.437 -4.483 1.00 0.00 O ATOM 944 CB PRO A 154 -6.062 -5.724 -1.187 1.00 0.00 C ATOM 945 CG PRO A 154 -5.368 -4.493 -0.719 1.00 0.00 C ATOM 946 CD PRO A 154 -4.139 -4.352 -1.575 1.00 0.00 C ATOM 0 HA PRO A 154 -5.738 -6.786 -3.102 1.00 0.00 H new ATOM 0 HB2 PRO A 154 -7.132 -5.676 -0.987 1.00 0.00 H new ATOM 0 HB3 PRO A 154 -5.682 -6.611 -0.679 1.00 0.00 H new ATOM 0 HG2 PRO A 154 -6.014 -3.621 -0.819 1.00 0.00 H new ATOM 0 HG3 PRO A 154 -5.101 -4.573 0.335 1.00 0.00 H new ATOM 0 HD2 PRO A 154 -3.914 -3.306 -1.784 1.00 0.00 H new ATOM 0 HD3 PRO A 154 -3.261 -4.776 -1.089 1.00 0.00 H new ATOM 954 N HIS A 155 -8.127 -5.228 -2.978 1.00 0.00 N ATOM 955 CA HIS A 155 -9.282 -4.616 -3.625 1.00 0.00 C ATOM 956 C HIS A 155 -10.401 -4.359 -2.618 1.00 0.00 C ATOM 957 O HIS A 155 -10.663 -5.183 -1.742 1.00 0.00 O ATOM 958 CB HIS A 155 -9.794 -5.506 -4.762 1.00 0.00 C ATOM 959 CG HIS A 155 -10.253 -6.857 -4.309 1.00 0.00 C ATOM 960 ND1 HIS A 155 -9.422 -7.769 -3.692 1.00 0.00 N ATOM 961 CD2 HIS A 155 -11.468 -7.451 -4.386 1.00 0.00 C ATOM 962 CE1 HIS A 155 -10.105 -8.864 -3.410 1.00 0.00 C ATOM 963 NE2 HIS A 155 -11.349 -8.697 -3.819 1.00 0.00 N ATOM 0 H HIS A 155 -8.349 -5.762 -2.138 1.00 0.00 H new ATOM 0 HA HIS A 155 -8.966 -3.659 -4.040 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -10.620 -5.001 -5.263 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -9.001 -5.630 -5.500 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -12.363 -7.025 -4.813 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -9.712 -9.746 -2.927 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -12.100 -9.382 -3.729 1.00 0.00 H new ATOM 972 N CYS A 156 -11.059 -3.210 -2.753 1.00 0.00 N ATOM 973 CA CYS A 156 -12.152 -2.841 -1.858 1.00 0.00 C ATOM 974 C CYS A 156 -13.505 -3.143 -2.494 1.00 0.00 C ATOM 975 O CYS A 156 -13.706 -2.917 -3.687 1.00 0.00 O ATOM 976 CB CYS A 156 -12.063 -1.356 -1.495 1.00 0.00 C ATOM 977 SG CYS A 156 -10.702 -0.950 -0.355 1.00 0.00 S ATOM 0 H CYS A 156 -10.854 -2.518 -3.474 1.00 0.00 H new ATOM 0 HA CYS A 156 -12.060 -3.436 -0.949 1.00 0.00 H new ATOM 0 HB2 CYS A 156 -11.942 -0.776 -2.410 1.00 0.00 H new ATOM 0 HB3 CYS A 156 -13.006 -1.046 -1.044 1.00 0.00 H new ATOM 982 N GLN A 157 -14.431 -3.660 -1.689 1.00 0.00 N ATOM 983 CA GLN A 157 -15.767 -3.995 -2.174 1.00 0.00 C ATOM 984 C GLN A 157 -16.783 -2.941 -1.744 1.00 0.00 C ATOM 985 O GLN A 157 -16.822 -2.540 -0.581 1.00 0.00 O ATOM 986 CB GLN A 157 -16.190 -5.370 -1.653 1.00 0.00 C ATOM 987 CG GLN A 157 -17.588 -5.784 -2.084 1.00 0.00 C ATOM 988 CD GLN A 157 -18.007 -7.118 -1.501 1.00 0.00 C ATOM 989 OE1 GLN A 157 -17.370 -8.143 -1.743 1.00 0.00 O ATOM 990 NE2 GLN A 157 -19.086 -7.113 -0.725 1.00 0.00 N ATOM 0 H GLN A 157 -14.280 -3.856 -0.699 1.00 0.00 H new ATOM 0 HA GLN A 157 -15.736 -4.020 -3.263 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -15.476 -6.116 -2.002 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -16.141 -5.367 -0.564 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -18.300 -5.018 -1.777 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -17.627 -5.839 -3.172 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -19.585 -6.240 -0.550 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -19.415 -7.982 -0.304 1.00 0.00 H new ATOM 999 N VAL A 158 -17.603 -2.496 -2.691 1.00 0.00 N ATOM 1000 CA VAL A 158 -18.618 -1.487 -2.412 1.00 0.00 C ATOM 1001 C VAL A 158 -19.737 -2.051 -1.539 1.00 0.00 C ATOM 1002 O VAL A 158 -20.334 -3.079 -1.862 1.00 0.00 O ATOM 1003 CB VAL A 158 -19.223 -0.924 -3.716 1.00 0.00 C ATOM 1004 CG1 VAL A 158 -19.849 -2.036 -4.546 1.00 0.00 C ATOM 1005 CG2 VAL A 158 -20.243 0.162 -3.409 1.00 0.00 C ATOM 0 H VAL A 158 -17.584 -2.819 -3.658 1.00 0.00 H new ATOM 0 HA VAL A 158 -18.121 -0.680 -1.874 1.00 0.00 H new ATOM 0 HB VAL A 158 -18.418 -0.479 -4.301 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -20.269 -1.616 -5.460 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -19.087 -2.772 -4.802 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -20.640 -2.518 -3.971 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -20.658 0.546 -4.341 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -21.045 -0.254 -2.799 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -19.758 0.974 -2.866 1.00 0.00 H new ATOM 1015 N ASN A 159 -20.017 -1.364 -0.433 1.00 0.00 N ATOM 1016 CA ASN A 159 -21.066 -1.780 0.492 1.00 0.00 C ATOM 1017 C ASN A 159 -21.004 -3.281 0.766 1.00 0.00 C ATOM 1018 O ASN A 159 -20.010 -3.729 1.373 1.00 0.00 O ATOM 1019 CB ASN A 159 -22.439 -1.397 -0.063 1.00 0.00 C ATOM 1020 CG ASN A 159 -22.646 0.106 -0.134 1.00 0.00 C ATOM 1021 OD1 ASN A 159 -21.661 0.872 0.328 1.00 0.00 O flip ATOM 1022 ND2 ASN A 159 -23.686 0.576 -0.597 1.00 0.00 N flip ATOM 1023 OXT ASN A 159 -21.950 -3.996 0.371 1.00 0.00 O ATOM 0 H ASN A 159 -19.528 -0.513 -0.156 1.00 0.00 H new ATOM 0 HA ASN A 159 -20.906 -1.262 1.438 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -22.555 -1.823 -1.060 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -23.215 -1.837 0.564 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -24.418 -0.046 -0.941 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -23.816 1.587 -0.636 1.00 0.00 H new