USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=13 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 135 HIS : no HD1:sc= -1.61 K(o=-2.1,f=-6.5!) USER MOD Set 1.2: A 159 ASN : amide:sc= -0.537 K(o=-2.1,f=-4.3) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -146:sc= -3.14! (180deg=-5.8!) USER MOD Single : A 102 SER OG : rot 180:sc= -0.143 USER MOD Single : A 103 TYR OH : rot 165:sc= 0.0786 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= -0.269 USER MOD Single : A 139 SER OG : rot -167:sc= -0.435 USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot 67:sc= -1.44! USER MOD Single : A 145 SER OG : rot 80:sc= 1.27 USER MOD Single : A 146 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 148 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 151 THR OG1 : rot -137:sc= -0.746! USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 HIS : no HD1:sc= -0.507 K(o=-0.51,f=-1.4) USER MOD Single : A 157 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 103 N ILE A 98 12.638 1.927 -4.707 1.00 0.00 N ATOM 104 CA ILE A 98 11.349 2.095 -4.054 1.00 0.00 C ATOM 105 C ILE A 98 10.290 1.224 -4.710 1.00 0.00 C ATOM 106 O ILE A 98 10.186 1.168 -5.935 1.00 0.00 O ATOM 107 CB ILE A 98 10.872 3.562 -4.087 1.00 0.00 C ATOM 108 CG1 ILE A 98 11.659 4.414 -3.097 1.00 0.00 C ATOM 109 CG2 ILE A 98 9.381 3.652 -3.785 1.00 0.00 C ATOM 110 CD1 ILE A 98 13.147 4.440 -3.338 1.00 0.00 C ATOM 0 HA ILE A 98 11.487 1.793 -3.016 1.00 0.00 H new ATOM 0 HB ILE A 98 11.049 3.947 -5.091 1.00 0.00 H new ATOM 0 HG12 ILE A 98 11.280 5.435 -3.135 1.00 0.00 H new ATOM 0 HG13 ILE A 98 11.473 4.042 -2.089 1.00 0.00 H new ATOM 0 HG21 ILE A 98 9.066 4.695 -3.814 1.00 0.00 H new ATOM 0 HG22 ILE A 98 8.824 3.084 -4.530 1.00 0.00 H new ATOM 0 HG23 ILE A 98 9.185 3.241 -2.795 1.00 0.00 H new ATOM 0 HD11 ILE A 98 13.626 5.069 -2.588 1.00 0.00 H new ATOM 0 HD12 ILE A 98 13.544 3.427 -3.270 1.00 0.00 H new ATOM 0 HD13 ILE A 98 13.348 4.842 -4.331 1.00 0.00 H new ATOM 122 N CYS A 99 9.495 0.563 -3.884 1.00 0.00 N ATOM 123 CA CYS A 99 8.427 -0.287 -4.379 1.00 0.00 C ATOM 124 C CYS A 99 7.489 0.533 -5.257 1.00 0.00 C ATOM 125 O CYS A 99 7.304 1.727 -5.020 1.00 0.00 O ATOM 126 CB CYS A 99 7.669 -0.907 -3.207 1.00 0.00 C ATOM 127 SG CYS A 99 8.717 -1.898 -2.092 1.00 0.00 S ATOM 0 H CYS A 99 9.570 0.599 -2.867 1.00 0.00 H new ATOM 0 HA CYS A 99 8.850 -1.094 -4.978 1.00 0.00 H new ATOM 0 HB2 CYS A 99 7.194 -0.112 -2.632 1.00 0.00 H new ATOM 0 HB3 CYS A 99 6.871 -1.539 -3.597 1.00 0.00 H new ATOM 132 N SER A 100 6.925 -0.099 -6.284 1.00 0.00 N ATOM 133 CA SER A 100 6.027 0.587 -7.213 1.00 0.00 C ATOM 134 C SER A 100 5.170 1.627 -6.497 1.00 0.00 C ATOM 135 O SER A 100 4.419 1.305 -5.576 1.00 0.00 O ATOM 136 CB SER A 100 5.128 -0.423 -7.928 1.00 0.00 C ATOM 137 OG SER A 100 5.897 -1.358 -8.665 1.00 0.00 O ATOM 0 H SER A 100 7.074 -1.086 -6.495 1.00 0.00 H new ATOM 0 HA SER A 100 6.645 1.104 -7.948 1.00 0.00 H new ATOM 0 HB2 SER A 100 4.513 -0.949 -7.197 1.00 0.00 H new ATOM 0 HB3 SER A 100 4.447 0.102 -8.598 1.00 0.00 H new ATOM 0 HG SER A 100 5.299 -1.994 -9.111 1.00 0.00 H new ATOM 143 N LYS A 101 5.293 2.879 -6.929 1.00 0.00 N ATOM 144 CA LYS A 101 4.536 3.976 -6.334 1.00 0.00 C ATOM 145 C LYS A 101 3.065 3.905 -6.739 1.00 0.00 C ATOM 146 O LYS A 101 2.271 4.779 -6.390 1.00 0.00 O ATOM 147 CB LYS A 101 5.135 5.320 -6.762 1.00 0.00 C ATOM 148 CG LYS A 101 5.099 5.546 -8.267 1.00 0.00 C ATOM 149 CD LYS A 101 5.693 6.893 -8.660 1.00 0.00 C ATOM 150 CE LYS A 101 7.206 6.924 -8.485 1.00 0.00 C ATOM 151 NZ LYS A 101 7.614 6.809 -7.058 1.00 0.00 N ATOM 0 H LYS A 101 5.911 3.159 -7.690 1.00 0.00 H new ATOM 0 HA LYS A 101 4.597 3.886 -5.249 1.00 0.00 H new ATOM 0 HB2 LYS A 101 4.591 6.125 -6.268 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.168 5.375 -6.418 1.00 0.00 H new ATOM 0 HG2 LYS A 101 5.649 4.748 -8.766 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.068 5.489 -8.617 1.00 0.00 H new ATOM 0 HD2 LYS A 101 5.444 7.109 -9.699 1.00 0.00 H new ATOM 0 HD3 LYS A 101 5.242 7.679 -8.054 1.00 0.00 H new ATOM 0 HE2 LYS A 101 7.652 6.109 -9.054 1.00 0.00 H new ATOM 0 HE3 LYS A 101 7.598 7.853 -8.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 8.473 7.372 -6.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 6.849 7.162 -6.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 7.805 5.812 -6.831 1.00 0.00 H new ATOM 165 N SER A 102 2.712 2.860 -7.481 1.00 0.00 N ATOM 166 CA SER A 102 1.341 2.668 -7.942 1.00 0.00 C ATOM 167 C SER A 102 0.395 2.397 -6.775 1.00 0.00 C ATOM 168 O SER A 102 -0.719 2.917 -6.735 1.00 0.00 O ATOM 169 CB SER A 102 1.278 1.511 -8.941 1.00 0.00 C ATOM 170 OG SER A 102 1.717 0.301 -8.350 1.00 0.00 O ATOM 0 H SER A 102 3.360 2.130 -7.777 1.00 0.00 H new ATOM 0 HA SER A 102 1.021 3.588 -8.432 1.00 0.00 H new ATOM 0 HB2 SER A 102 0.256 1.393 -9.301 1.00 0.00 H new ATOM 0 HB3 SER A 102 1.897 1.741 -9.808 1.00 0.00 H new ATOM 0 HG SER A 102 1.665 -0.423 -9.009 1.00 0.00 H new ATOM 176 N TYR A 103 0.846 1.573 -5.832 1.00 0.00 N ATOM 177 CA TYR A 103 0.038 1.223 -4.666 1.00 0.00 C ATOM 178 C TYR A 103 -0.445 2.472 -3.930 1.00 0.00 C ATOM 179 O TYR A 103 -1.600 2.544 -3.510 1.00 0.00 O ATOM 180 CB TYR A 103 0.834 0.322 -3.716 1.00 0.00 C ATOM 181 CG TYR A 103 1.033 -1.093 -4.228 1.00 0.00 C ATOM 182 CD1 TYR A 103 1.278 -1.347 -5.573 1.00 0.00 C ATOM 183 CD2 TYR A 103 0.974 -2.176 -3.359 1.00 0.00 C ATOM 184 CE1 TYR A 103 1.458 -2.637 -6.035 1.00 0.00 C ATOM 185 CE2 TYR A 103 1.155 -3.469 -3.813 1.00 0.00 C ATOM 186 CZ TYR A 103 1.395 -3.694 -5.152 1.00 0.00 C ATOM 187 OH TYR A 103 1.574 -4.980 -5.608 1.00 0.00 O ATOM 0 H TYR A 103 1.767 1.135 -5.852 1.00 0.00 H new ATOM 0 HA TYR A 103 -0.839 0.679 -5.018 1.00 0.00 H new ATOM 0 HB2 TYR A 103 1.810 0.773 -3.537 1.00 0.00 H new ATOM 0 HB3 TYR A 103 0.321 0.281 -2.755 1.00 0.00 H new ATOM 0 HD1 TYR A 103 1.328 -0.522 -6.268 1.00 0.00 H new ATOM 0 HD2 TYR A 103 0.783 -2.004 -2.310 1.00 0.00 H new ATOM 0 HE1 TYR A 103 1.647 -2.816 -7.083 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.109 -4.298 -3.123 1.00 0.00 H new ATOM 0 HH TYR A 103 1.739 -5.577 -4.848 1.00 0.00 H new ATOM 197 N LEU A 104 0.440 3.452 -3.779 1.00 0.00 N ATOM 198 CA LEU A 104 0.094 4.694 -3.095 1.00 0.00 C ATOM 199 C LEU A 104 -1.068 5.398 -3.790 1.00 0.00 C ATOM 200 O LEU A 104 -1.913 6.013 -3.139 1.00 0.00 O ATOM 201 CB LEU A 104 1.304 5.631 -3.031 1.00 0.00 C ATOM 202 CG LEU A 104 2.490 5.112 -2.211 1.00 0.00 C ATOM 203 CD1 LEU A 104 3.619 6.131 -2.210 1.00 0.00 C ATOM 204 CD2 LEU A 104 2.058 4.792 -0.788 1.00 0.00 C ATOM 0 H LEU A 104 1.400 3.411 -4.120 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.211 4.439 -2.080 1.00 0.00 H new ATOM 0 HB2 LEU A 104 1.645 5.828 -4.047 1.00 0.00 H new ATOM 0 HB3 LEU A 104 0.983 6.585 -2.612 1.00 0.00 H new ATOM 0 HG LEU A 104 2.853 4.194 -2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 104 4.454 5.748 -1.624 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.947 6.312 -3.234 1.00 0.00 H new ATOM 0 HD13 LEU A 104 3.266 7.065 -1.772 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.914 4.425 -0.222 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.669 5.693 -0.314 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.281 4.028 -0.807 1.00 0.00 H new ATOM 216 N THR A 105 -1.101 5.308 -5.116 1.00 0.00 N ATOM 217 CA THR A 105 -2.155 5.940 -5.902 1.00 0.00 C ATOM 218 C THR A 105 -3.310 4.971 -6.151 1.00 0.00 C ATOM 219 O THR A 105 -3.530 4.522 -7.276 1.00 0.00 O ATOM 220 CB THR A 105 -1.616 6.450 -7.254 1.00 0.00 C ATOM 221 OG1 THR A 105 -0.486 7.303 -7.038 1.00 0.00 O ATOM 222 CG2 THR A 105 -2.688 7.215 -8.016 1.00 0.00 C ATOM 0 H THR A 105 -0.409 4.803 -5.669 1.00 0.00 H new ATOM 0 HA THR A 105 -2.520 6.790 -5.324 1.00 0.00 H new ATOM 0 HB THR A 105 -1.318 5.586 -7.847 1.00 0.00 H new ATOM 0 HG1 THR A 105 -0.147 7.622 -7.901 1.00 0.00 H new ATOM 0 HG21 THR A 105 -2.281 7.563 -8.965 1.00 0.00 H new ATOM 0 HG22 THR A 105 -3.538 6.560 -8.204 1.00 0.00 H new ATOM 0 HG23 THR A 105 -3.014 8.071 -7.425 1.00 0.00 H new ATOM 230 N LEU A 106 -4.043 4.649 -5.089 1.00 0.00 N ATOM 231 CA LEU A 106 -5.172 3.729 -5.188 1.00 0.00 C ATOM 232 C LEU A 106 -6.483 4.484 -5.380 1.00 0.00 C ATOM 233 O LEU A 106 -6.785 5.423 -4.644 1.00 0.00 O ATOM 234 CB LEU A 106 -5.259 2.857 -3.933 1.00 0.00 C ATOM 235 CG LEU A 106 -6.453 1.896 -3.889 1.00 0.00 C ATOM 236 CD1 LEU A 106 -6.517 1.053 -5.154 1.00 0.00 C ATOM 237 CD2 LEU A 106 -6.373 1.006 -2.657 1.00 0.00 C ATOM 0 H LEU A 106 -3.876 5.011 -4.150 1.00 0.00 H new ATOM 0 HA LEU A 106 -5.008 3.094 -6.059 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -4.341 2.275 -3.850 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.304 3.508 -3.060 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.366 2.488 -3.830 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.372 0.379 -5.099 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.624 1.705 -6.021 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.601 0.470 -5.249 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.228 0.330 -2.641 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -5.451 0.425 -2.687 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -6.383 1.625 -1.760 1.00 0.00 H new ATOM 249 N GLU A 107 -7.265 4.055 -6.367 1.00 0.00 N ATOM 250 CA GLU A 107 -8.552 4.680 -6.647 1.00 0.00 C ATOM 251 C GLU A 107 -9.527 4.416 -5.506 1.00 0.00 C ATOM 252 O GLU A 107 -9.611 3.297 -4.998 1.00 0.00 O ATOM 253 CB GLU A 107 -9.129 4.152 -7.962 1.00 0.00 C ATOM 254 CG GLU A 107 -9.363 2.649 -7.966 1.00 0.00 C ATOM 255 CD GLU A 107 -9.970 2.153 -9.264 1.00 0.00 C ATOM 256 OE1 GLU A 107 -10.210 2.985 -10.164 1.00 0.00 O ATOM 257 OE2 GLU A 107 -10.206 0.933 -9.379 1.00 0.00 O ATOM 0 H GLU A 107 -7.029 3.278 -6.985 1.00 0.00 H new ATOM 0 HA GLU A 107 -8.400 5.755 -6.739 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -10.073 4.658 -8.164 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -8.450 4.407 -8.775 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -8.416 2.138 -7.794 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -10.022 2.386 -7.138 1.00 0.00 H new ATOM 264 N ASN A 108 -10.256 5.451 -5.100 1.00 0.00 N ATOM 265 CA ASN A 108 -11.217 5.323 -4.010 1.00 0.00 C ATOM 266 C ASN A 108 -10.530 4.790 -2.757 1.00 0.00 C ATOM 267 O ASN A 108 -11.049 3.900 -2.082 1.00 0.00 O ATOM 268 CB ASN A 108 -12.362 4.392 -4.416 1.00 0.00 C ATOM 269 CG ASN A 108 -13.129 4.906 -5.617 1.00 0.00 C ATOM 270 OD1 ASN A 108 -13.693 6.000 -5.587 1.00 0.00 O ATOM 271 ND2 ASN A 108 -13.156 4.116 -6.684 1.00 0.00 N ATOM 0 H ASN A 108 -10.200 6.384 -5.508 1.00 0.00 H new ATOM 0 HA ASN A 108 -11.627 6.310 -3.793 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -11.960 3.404 -4.641 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -13.046 4.274 -3.575 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -13.658 4.408 -7.522 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -12.674 3.217 -6.665 1.00 0.00 H new ATOM 278 N GLY A 109 -9.354 5.333 -2.460 1.00 0.00 N ATOM 279 CA GLY A 109 -8.607 4.898 -1.297 1.00 0.00 C ATOM 280 C GLY A 109 -7.337 5.697 -1.092 1.00 0.00 C ATOM 281 O GLY A 109 -6.883 6.400 -1.995 1.00 0.00 O ATOM 0 H GLY A 109 -8.905 6.068 -3.006 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -9.236 4.987 -0.411 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.355 3.843 -1.404 1.00 0.00 H new ATOM 285 N LYS A 110 -6.763 5.587 0.100 1.00 0.00 N ATOM 286 CA LYS A 110 -5.535 6.300 0.430 1.00 0.00 C ATOM 287 C LYS A 110 -4.576 5.389 1.184 1.00 0.00 C ATOM 288 O LYS A 110 -4.962 4.727 2.147 1.00 0.00 O ATOM 289 CB LYS A 110 -5.845 7.536 1.277 1.00 0.00 C ATOM 290 CG LYS A 110 -6.788 8.519 0.603 1.00 0.00 C ATOM 291 CD LYS A 110 -7.045 9.736 1.480 1.00 0.00 C ATOM 292 CE LYS A 110 -5.777 10.544 1.705 1.00 0.00 C ATOM 293 NZ LYS A 110 -6.020 11.735 2.566 1.00 0.00 N ATOM 0 H LYS A 110 -7.130 5.009 0.856 1.00 0.00 H new ATOM 0 HA LYS A 110 -5.065 6.617 -0.501 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -6.283 7.217 2.223 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -4.911 8.046 1.514 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.363 8.838 -0.349 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.733 8.024 0.380 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -7.801 10.368 1.014 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -7.447 9.414 2.441 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -5.021 9.910 2.168 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -5.377 10.867 0.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -5.130 12.258 2.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -6.723 12.353 2.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -6.377 11.426 3.493 1.00 0.00 H new ATOM 307 N VAL A 111 -3.326 5.356 0.738 1.00 0.00 N ATOM 308 CA VAL A 111 -2.315 4.522 1.371 1.00 0.00 C ATOM 309 C VAL A 111 -1.335 5.367 2.178 1.00 0.00 C ATOM 310 O VAL A 111 -0.701 6.279 1.646 1.00 0.00 O ATOM 311 CB VAL A 111 -1.542 3.703 0.320 1.00 0.00 C ATOM 312 CG1 VAL A 111 -0.535 2.786 0.992 1.00 0.00 C ATOM 313 CG2 VAL A 111 -2.506 2.903 -0.543 1.00 0.00 C ATOM 0 H VAL A 111 -2.990 5.897 -0.059 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.831 3.839 2.046 1.00 0.00 H new ATOM 0 HB VAL A 111 -0.997 4.393 -0.323 1.00 0.00 H new ATOM 0 HG11 VAL A 111 0.001 2.216 0.233 1.00 0.00 H new ATOM 0 HG12 VAL A 111 0.174 3.383 1.566 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -1.056 2.100 1.660 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -1.944 2.330 -1.281 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -3.078 2.222 0.087 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -3.187 3.583 -1.054 1.00 0.00 H new ATOM 323 N PHE A 112 -1.218 5.058 3.466 1.00 0.00 N ATOM 324 CA PHE A 112 -0.317 5.789 4.352 1.00 0.00 C ATOM 325 C PHE A 112 1.127 5.337 4.158 1.00 0.00 C ATOM 326 O PHE A 112 1.432 4.150 4.252 1.00 0.00 O ATOM 327 CB PHE A 112 -0.732 5.594 5.815 1.00 0.00 C ATOM 328 CG PHE A 112 -2.056 6.220 6.168 1.00 0.00 C ATOM 329 CD1 PHE A 112 -3.169 6.048 5.356 1.00 0.00 C ATOM 330 CD2 PHE A 112 -2.185 6.982 7.318 1.00 0.00 C ATOM 331 CE1 PHE A 112 -4.382 6.623 5.686 1.00 0.00 C ATOM 332 CE2 PHE A 112 -3.396 7.560 7.652 1.00 0.00 C ATOM 333 CZ PHE A 112 -4.495 7.381 6.835 1.00 0.00 C ATOM 0 H PHE A 112 -1.736 4.306 3.920 1.00 0.00 H new ATOM 0 HA PHE A 112 -0.384 6.847 4.100 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -0.779 4.526 6.029 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.040 6.015 6.459 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -3.086 5.458 4.455 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -1.330 7.126 7.961 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -5.240 6.480 5.046 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -3.482 8.151 8.552 1.00 0.00 H new ATOM 0 HZ PHE A 112 -5.441 7.833 7.094 1.00 0.00 H new ATOM 343 N LEU A 113 2.010 6.296 3.891 1.00 0.00 N ATOM 344 CA LEU A 113 3.426 6.004 3.687 1.00 0.00 C ATOM 345 C LEU A 113 4.176 5.947 5.015 1.00 0.00 C ATOM 346 O LEU A 113 3.802 6.615 5.979 1.00 0.00 O ATOM 347 CB LEU A 113 4.062 7.056 2.774 1.00 0.00 C ATOM 348 CG LEU A 113 5.568 6.890 2.538 1.00 0.00 C ATOM 349 CD1 LEU A 113 5.868 5.537 1.910 1.00 0.00 C ATOM 350 CD2 LEU A 113 6.097 8.014 1.660 1.00 0.00 C ATOM 0 H LEU A 113 1.769 7.284 3.811 1.00 0.00 H new ATOM 0 HA LEU A 113 3.499 5.026 3.211 1.00 0.00 H new ATOM 0 HB2 LEU A 113 3.554 7.032 1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.884 8.042 3.203 1.00 0.00 H new ATOM 0 HG LEU A 113 6.073 6.939 3.503 1.00 0.00 H new ATOM 0 HD11 LEU A 113 6.942 5.440 1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.526 4.744 2.575 1.00 0.00 H new ATOM 0 HD13 LEU A 113 5.351 5.457 0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 113 7.167 7.880 1.503 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.584 7.997 0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.919 8.972 2.149 1.00 0.00 H new ATOM 362 N THR A 114 5.238 5.148 5.053 1.00 0.00 N ATOM 363 CA THR A 114 6.050 5.003 6.256 1.00 0.00 C ATOM 364 C THR A 114 7.459 4.532 5.898 1.00 0.00 C ATOM 365 O THR A 114 7.924 3.496 6.374 1.00 0.00 O ATOM 366 CB THR A 114 5.413 4.012 7.253 1.00 0.00 C ATOM 367 OG1 THR A 114 4.050 4.377 7.502 1.00 0.00 O ATOM 368 CG2 THR A 114 6.177 3.996 8.571 1.00 0.00 C ATOM 0 H THR A 114 5.557 4.589 4.261 1.00 0.00 H new ATOM 0 HA THR A 114 6.105 5.982 6.731 1.00 0.00 H new ATOM 0 HB THR A 114 5.455 3.016 6.812 1.00 0.00 H new ATOM 0 HG1 THR A 114 3.652 3.743 8.134 1.00 0.00 H new ATOM 0 HG21 THR A 114 5.707 3.290 9.255 1.00 0.00 H new ATOM 0 HG22 THR A 114 7.209 3.694 8.390 1.00 0.00 H new ATOM 0 HG23 THR A 114 6.163 4.993 9.012 1.00 0.00 H new ATOM 376 N GLY A 115 8.129 5.300 5.041 1.00 0.00 N ATOM 377 CA GLY A 115 9.471 4.952 4.621 1.00 0.00 C ATOM 378 C GLY A 115 10.248 6.157 4.129 1.00 0.00 C ATOM 379 O GLY A 115 10.693 6.984 4.926 1.00 0.00 O ATOM 0 H GLY A 115 7.762 6.159 4.631 1.00 0.00 H new ATOM 0 HA2 GLY A 115 10.003 4.494 5.455 1.00 0.00 H new ATOM 0 HA3 GLY A 115 9.420 4.206 3.828 1.00 0.00 H new ATOM 383 N GLY A 116 10.414 6.256 2.815 1.00 0.00 N ATOM 384 CA GLY A 116 11.145 7.374 2.241 1.00 0.00 C ATOM 385 C GLY A 116 11.360 7.229 0.747 1.00 0.00 C ATOM 386 O GLY A 116 10.409 7.011 -0.006 1.00 0.00 O ATOM 0 H GLY A 116 10.057 5.584 2.136 1.00 0.00 H new ATOM 0 HA2 GLY A 116 10.601 8.298 2.437 1.00 0.00 H new ATOM 0 HA3 GLY A 116 12.112 7.463 2.736 1.00 0.00 H new ATOM 390 N ASP A 117 12.613 7.355 0.318 1.00 0.00 N ATOM 391 CA ASP A 117 12.957 7.239 -1.094 1.00 0.00 C ATOM 392 C ASP A 117 14.393 6.742 -1.255 1.00 0.00 C ATOM 393 O ASP A 117 15.145 7.222 -2.105 1.00 0.00 O ATOM 394 CB ASP A 117 12.784 8.593 -1.791 1.00 0.00 C ATOM 395 CG ASP A 117 12.999 8.509 -3.290 1.00 0.00 C ATOM 396 OD1 ASP A 117 12.251 7.763 -3.956 1.00 0.00 O ATOM 397 OD2 ASP A 117 13.914 9.189 -3.798 1.00 0.00 O ATOM 0 H ASP A 117 13.408 7.538 0.931 1.00 0.00 H new ATOM 0 HA ASP A 117 12.286 6.515 -1.557 1.00 0.00 H new ATOM 0 HB2 ASP A 117 11.782 8.974 -1.592 1.00 0.00 H new ATOM 0 HB3 ASP A 117 13.488 9.309 -1.366 1.00 0.00 H new ATOM 402 N LEU A 118 14.759 5.767 -0.429 1.00 0.00 N ATOM 403 CA LEU A 118 16.093 5.181 -0.460 1.00 0.00 C ATOM 404 C LEU A 118 16.100 3.923 -1.322 1.00 0.00 C ATOM 405 O LEU A 118 15.077 3.250 -1.447 1.00 0.00 O ATOM 406 CB LEU A 118 16.556 4.841 0.959 1.00 0.00 C ATOM 407 CG LEU A 118 16.613 6.027 1.926 1.00 0.00 C ATOM 408 CD1 LEU A 118 16.984 5.555 3.324 1.00 0.00 C ATOM 409 CD2 LEU A 118 17.606 7.070 1.436 1.00 0.00 C ATOM 0 H LEU A 118 14.143 5.363 0.277 1.00 0.00 H new ATOM 0 HA LEU A 118 16.780 5.909 -0.892 1.00 0.00 H new ATOM 0 HB2 LEU A 118 15.886 4.087 1.372 1.00 0.00 H new ATOM 0 HB3 LEU A 118 17.547 4.390 0.903 1.00 0.00 H new ATOM 0 HG LEU A 118 15.625 6.486 1.966 1.00 0.00 H new ATOM 0 HD11 LEU A 118 17.020 6.410 3.999 1.00 0.00 H new ATOM 0 HD12 LEU A 118 16.237 4.844 3.678 1.00 0.00 H new ATOM 0 HD13 LEU A 118 17.961 5.072 3.298 1.00 0.00 H new ATOM 0 HD21 LEU A 118 17.632 7.905 2.136 1.00 0.00 H new ATOM 0 HD22 LEU A 118 18.598 6.624 1.366 1.00 0.00 H new ATOM 0 HD23 LEU A 118 17.300 7.430 0.454 1.00 0.00 H new ATOM 421 N PRO A 119 17.251 3.581 -1.931 1.00 0.00 N ATOM 422 CA PRO A 119 17.366 2.394 -2.779 1.00 0.00 C ATOM 423 C PRO A 119 16.665 1.184 -2.167 1.00 0.00 C ATOM 424 O PRO A 119 16.965 0.790 -1.040 1.00 0.00 O ATOM 425 CB PRO A 119 18.874 2.167 -2.847 1.00 0.00 C ATOM 426 CG PRO A 119 19.465 3.530 -2.714 1.00 0.00 C ATOM 427 CD PRO A 119 18.525 4.321 -1.839 1.00 0.00 C ATOM 0 HA PRO A 119 16.897 2.530 -3.754 1.00 0.00 H new ATOM 0 HB2 PRO A 119 19.212 1.508 -2.047 1.00 0.00 H new ATOM 0 HB3 PRO A 119 19.163 1.700 -3.788 1.00 0.00 H new ATOM 0 HG2 PRO A 119 20.459 3.480 -2.270 1.00 0.00 H new ATOM 0 HG3 PRO A 119 19.576 4.002 -3.690 1.00 0.00 H new ATOM 0 HD2 PRO A 119 18.884 4.373 -0.811 1.00 0.00 H new ATOM 0 HD3 PRO A 119 18.418 5.347 -2.192 1.00 0.00 H new ATOM 435 N ALA A 120 15.723 0.612 -2.921 1.00 0.00 N ATOM 436 CA ALA A 120 14.954 -0.548 -2.469 1.00 0.00 C ATOM 437 C ALA A 120 13.924 -0.156 -1.409 1.00 0.00 C ATOM 438 O ALA A 120 12.813 -0.686 -1.390 1.00 0.00 O ATOM 439 CB ALA A 120 15.877 -1.635 -1.939 1.00 0.00 C ATOM 0 H ALA A 120 15.474 0.938 -3.855 1.00 0.00 H new ATOM 0 HA ALA A 120 14.415 -0.941 -3.331 1.00 0.00 H new ATOM 0 HB1 ALA A 120 15.283 -2.487 -1.609 1.00 0.00 H new ATOM 0 HB2 ALA A 120 16.558 -1.951 -2.729 1.00 0.00 H new ATOM 0 HB3 ALA A 120 16.452 -1.246 -1.099 1.00 0.00 H new ATOM 445 N LEU A 121 14.299 0.775 -0.535 1.00 0.00 N ATOM 446 CA LEU A 121 13.415 1.242 0.523 1.00 0.00 C ATOM 447 C LEU A 121 12.925 0.081 1.385 1.00 0.00 C ATOM 448 O LEU A 121 11.742 -0.009 1.713 1.00 0.00 O ATOM 449 CB LEU A 121 12.226 2.004 -0.070 1.00 0.00 C ATOM 450 CG LEU A 121 11.368 2.749 0.954 1.00 0.00 C ATOM 451 CD1 LEU A 121 12.231 3.689 1.780 1.00 0.00 C ATOM 452 CD2 LEU A 121 10.248 3.510 0.264 1.00 0.00 C ATOM 0 H LEU A 121 15.216 1.222 -0.542 1.00 0.00 H new ATOM 0 HA LEU A 121 13.983 1.919 1.160 1.00 0.00 H new ATOM 0 HB2 LEU A 121 12.600 2.721 -0.801 1.00 0.00 H new ATOM 0 HB3 LEU A 121 11.593 1.299 -0.610 1.00 0.00 H new ATOM 0 HG LEU A 121 10.915 2.018 1.624 1.00 0.00 H new ATOM 0 HD11 LEU A 121 11.608 4.213 2.505 1.00 0.00 H new ATOM 0 HD12 LEU A 121 12.994 3.115 2.305 1.00 0.00 H new ATOM 0 HD13 LEU A 121 12.711 4.414 1.123 1.00 0.00 H new ATOM 0 HD21 LEU A 121 9.650 4.033 1.010 1.00 0.00 H new ATOM 0 HD22 LEU A 121 10.674 4.233 -0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 121 9.616 2.810 -0.283 1.00 0.00 H new ATOM 464 N ASP A 122 13.846 -0.802 1.756 1.00 0.00 N ATOM 465 CA ASP A 122 13.505 -1.948 2.589 1.00 0.00 C ATOM 466 C ASP A 122 13.060 -1.482 3.971 1.00 0.00 C ATOM 467 O ASP A 122 13.705 -0.632 4.585 1.00 0.00 O ATOM 468 CB ASP A 122 14.704 -2.893 2.712 1.00 0.00 C ATOM 469 CG ASP A 122 14.388 -4.136 3.520 1.00 0.00 C ATOM 470 OD1 ASP A 122 14.044 -3.999 4.713 1.00 0.00 O ATOM 471 OD2 ASP A 122 14.486 -5.248 2.960 1.00 0.00 O ATOM 0 H ASP A 122 14.830 -0.746 1.494 1.00 0.00 H new ATOM 0 HA ASP A 122 12.683 -2.487 2.118 1.00 0.00 H new ATOM 0 HB2 ASP A 122 15.034 -3.186 1.715 1.00 0.00 H new ATOM 0 HB3 ASP A 122 15.534 -2.362 3.179 1.00 0.00 H new ATOM 476 N GLY A 123 11.954 -2.037 4.455 1.00 0.00 N ATOM 477 CA GLY A 123 11.449 -1.653 5.760 1.00 0.00 C ATOM 478 C GLY A 123 10.220 -0.769 5.669 1.00 0.00 C ATOM 479 O GLY A 123 9.378 -0.776 6.568 1.00 0.00 O ATOM 0 H GLY A 123 11.400 -2.743 3.969 1.00 0.00 H new ATOM 0 HA2 GLY A 123 11.207 -2.550 6.331 1.00 0.00 H new ATOM 0 HA3 GLY A 123 12.231 -1.128 6.309 1.00 0.00 H new ATOM 483 N ALA A 124 10.117 -0.009 4.580 1.00 0.00 N ATOM 484 CA ALA A 124 8.983 0.886 4.370 1.00 0.00 C ATOM 485 C ALA A 124 7.665 0.171 4.651 1.00 0.00 C ATOM 486 O ALA A 124 7.519 -1.016 4.361 1.00 0.00 O ATOM 487 CB ALA A 124 8.992 1.434 2.951 1.00 0.00 C ATOM 0 H ALA A 124 10.807 0.004 3.829 1.00 0.00 H new ATOM 0 HA ALA A 124 9.077 1.718 5.068 1.00 0.00 H new ATOM 0 HB1 ALA A 124 8.140 2.099 2.812 1.00 0.00 H new ATOM 0 HB2 ALA A 124 9.916 1.987 2.780 1.00 0.00 H new ATOM 0 HB3 ALA A 124 8.927 0.609 2.242 1.00 0.00 H new ATOM 493 N ARG A 125 6.713 0.897 5.226 1.00 0.00 N ATOM 494 CA ARG A 125 5.412 0.328 5.555 1.00 0.00 C ATOM 495 C ARG A 125 4.281 1.199 5.028 1.00 0.00 C ATOM 496 O ARG A 125 4.390 2.425 5.001 1.00 0.00 O ATOM 497 CB ARG A 125 5.278 0.156 7.068 1.00 0.00 C ATOM 498 CG ARG A 125 6.175 -0.929 7.639 1.00 0.00 C ATOM 499 CD ARG A 125 5.776 -2.302 7.131 1.00 0.00 C ATOM 500 NE ARG A 125 4.381 -2.617 7.432 1.00 0.00 N ATOM 501 CZ ARG A 125 3.892 -2.714 8.666 1.00 0.00 C ATOM 502 NH1 ARG A 125 4.683 -2.536 9.716 1.00 0.00 N ATOM 503 NH2 ARG A 125 2.609 -2.994 8.850 1.00 0.00 N ATOM 0 H ARG A 125 6.818 1.881 5.474 1.00 0.00 H new ATOM 0 HA ARG A 125 5.341 -0.648 5.075 1.00 0.00 H new ATOM 0 HB2 ARG A 125 5.512 1.103 7.555 1.00 0.00 H new ATOM 0 HB3 ARG A 125 4.241 -0.078 7.308 1.00 0.00 H new ATOM 0 HG2 ARG A 125 7.211 -0.726 7.368 1.00 0.00 H new ATOM 0 HG3 ARG A 125 6.121 -0.912 8.728 1.00 0.00 H new ATOM 0 HD2 ARG A 125 5.933 -2.349 6.053 1.00 0.00 H new ATOM 0 HD3 ARG A 125 6.422 -3.056 7.580 1.00 0.00 H new ATOM 0 HE ARG A 125 3.745 -2.772 6.650 1.00 0.00 H new ATOM 0 HH11 ARG A 125 5.671 -2.324 9.580 1.00 0.00 H new ATOM 0 HH12 ARG A 125 4.303 -2.611 10.660 1.00 0.00 H new ATOM 0 HH21 ARG A 125 1.997 -3.135 8.046 1.00 0.00 H new ATOM 0 HH22 ARG A 125 2.234 -3.068 9.796 1.00 0.00 H new ATOM 517 N VAL A 126 3.197 0.560 4.603 1.00 0.00 N ATOM 518 CA VAL A 126 2.050 1.282 4.073 1.00 0.00 C ATOM 519 C VAL A 126 0.736 0.632 4.493 1.00 0.00 C ATOM 520 O VAL A 126 0.582 -0.591 4.424 1.00 0.00 O ATOM 521 CB VAL A 126 2.100 1.363 2.538 1.00 0.00 C ATOM 522 CG1 VAL A 126 3.322 2.144 2.079 1.00 0.00 C ATOM 523 CG2 VAL A 126 2.087 -0.031 1.932 1.00 0.00 C ATOM 0 H VAL A 126 3.090 -0.454 4.616 1.00 0.00 H new ATOM 0 HA VAL A 126 2.097 2.289 4.488 1.00 0.00 H new ATOM 0 HB VAL A 126 1.213 1.894 2.192 1.00 0.00 H new ATOM 0 HG11 VAL A 126 3.337 2.189 0.990 1.00 0.00 H new ATOM 0 HG12 VAL A 126 3.280 3.155 2.483 1.00 0.00 H new ATOM 0 HG13 VAL A 126 4.225 1.648 2.434 1.00 0.00 H new ATOM 0 HG21 VAL A 126 2.123 0.044 0.845 1.00 0.00 H new ATOM 0 HG22 VAL A 126 2.954 -0.590 2.286 1.00 0.00 H new ATOM 0 HG23 VAL A 126 1.175 -0.549 2.230 1.00 0.00 H new ATOM 533 N GLU A 127 -0.208 1.463 4.925 1.00 0.00 N ATOM 534 CA GLU A 127 -1.516 0.982 5.352 1.00 0.00 C ATOM 535 C GLU A 127 -2.587 1.351 4.329 1.00 0.00 C ATOM 536 O GLU A 127 -2.853 2.529 4.092 1.00 0.00 O ATOM 537 CB GLU A 127 -1.876 1.567 6.719 1.00 0.00 C ATOM 538 CG GLU A 127 -3.228 1.110 7.242 1.00 0.00 C ATOM 539 CD GLU A 127 -3.572 1.725 8.583 1.00 0.00 C ATOM 540 OE1 GLU A 127 -3.642 2.970 8.665 1.00 0.00 O ATOM 541 OE2 GLU A 127 -3.774 0.964 9.552 1.00 0.00 O ATOM 0 H GLU A 127 -0.090 2.474 4.988 1.00 0.00 H new ATOM 0 HA GLU A 127 -1.471 -0.104 5.431 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -1.105 1.289 7.438 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -1.871 2.655 6.652 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -4.000 1.370 6.518 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -3.230 0.024 7.333 1.00 0.00 H new ATOM 548 N PHE A 128 -3.200 0.336 3.732 1.00 0.00 N ATOM 549 CA PHE A 128 -4.247 0.547 2.738 1.00 0.00 C ATOM 550 C PHE A 128 -5.581 0.853 3.407 1.00 0.00 C ATOM 551 O PHE A 128 -5.868 0.354 4.496 1.00 0.00 O ATOM 552 CB PHE A 128 -4.388 -0.676 1.830 1.00 0.00 C ATOM 553 CG PHE A 128 -3.208 -0.908 0.926 1.00 0.00 C ATOM 554 CD1 PHE A 128 -1.926 -1.010 1.444 1.00 0.00 C ATOM 555 CD2 PHE A 128 -3.383 -1.019 -0.444 1.00 0.00 C ATOM 556 CE1 PHE A 128 -0.843 -1.220 0.611 1.00 0.00 C ATOM 557 CE2 PHE A 128 -2.304 -1.229 -1.280 1.00 0.00 C ATOM 558 CZ PHE A 128 -1.033 -1.330 -0.751 1.00 0.00 C ATOM 0 H PHE A 128 -2.990 -0.644 3.919 1.00 0.00 H new ATOM 0 HA PHE A 128 -3.958 1.404 2.130 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -4.537 -1.560 2.450 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -5.283 -0.561 1.219 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -1.772 -0.924 2.510 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -4.375 -0.940 -0.863 1.00 0.00 H new ATOM 0 HE1 PHE A 128 0.151 -1.298 1.026 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -2.454 -1.314 -2.346 1.00 0.00 H new ATOM 0 HZ PHE A 128 -0.188 -1.495 -1.403 1.00 0.00 H new ATOM 568 N ARG A 129 -6.395 1.671 2.750 1.00 0.00 N ATOM 569 CA ARG A 129 -7.702 2.037 3.282 1.00 0.00 C ATOM 570 C ARG A 129 -8.643 2.464 2.161 1.00 0.00 C ATOM 571 O ARG A 129 -8.329 3.359 1.377 1.00 0.00 O ATOM 572 CB ARG A 129 -7.560 3.165 4.306 1.00 0.00 C ATOM 573 CG ARG A 129 -8.877 3.598 4.918 1.00 0.00 C ATOM 574 CD ARG A 129 -8.680 4.705 5.941 1.00 0.00 C ATOM 575 NE ARG A 129 -8.088 5.901 5.347 1.00 0.00 N ATOM 576 CZ ARG A 129 -7.821 7.009 6.032 1.00 0.00 C ATOM 577 NH1 ARG A 129 -8.090 7.071 7.329 1.00 0.00 N ATOM 578 NH2 ARG A 129 -7.284 8.055 5.419 1.00 0.00 N ATOM 0 H ARG A 129 -6.173 2.093 1.848 1.00 0.00 H new ATOM 0 HA ARG A 129 -8.127 1.162 3.774 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -6.889 2.840 5.101 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -7.092 4.024 3.825 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -9.548 3.943 4.132 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -9.357 2.743 5.394 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -9.641 4.960 6.388 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -8.039 4.345 6.746 1.00 0.00 H new ATOM 0 HE ARG A 129 -7.867 5.885 4.351 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -8.503 6.268 7.803 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -7.884 7.922 7.852 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -7.076 8.010 4.422 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -7.079 8.905 5.945 1.00 0.00 H new ATOM 592 N CYS A 130 -9.797 1.810 2.092 1.00 0.00 N ATOM 593 CA CYS A 130 -10.792 2.109 1.068 1.00 0.00 C ATOM 594 C CYS A 130 -11.757 3.193 1.539 1.00 0.00 C ATOM 595 O CYS A 130 -12.084 3.277 2.723 1.00 0.00 O ATOM 596 CB CYS A 130 -11.569 0.845 0.696 1.00 0.00 C ATOM 597 SG CYS A 130 -10.524 -0.518 0.085 1.00 0.00 S ATOM 0 H CYS A 130 -10.068 1.066 2.736 1.00 0.00 H new ATOM 0 HA CYS A 130 -10.266 2.477 0.187 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -12.122 0.501 1.570 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -12.305 1.095 -0.068 1.00 0.00 H new ATOM 602 N ASP A 131 -12.212 4.016 0.600 1.00 0.00 N ATOM 603 CA ASP A 131 -13.145 5.095 0.903 1.00 0.00 C ATOM 604 C ASP A 131 -14.390 4.553 1.601 1.00 0.00 C ATOM 605 O ASP A 131 -14.739 3.385 1.437 1.00 0.00 O ATOM 606 CB ASP A 131 -13.550 5.821 -0.381 1.00 0.00 C ATOM 607 CG ASP A 131 -14.333 4.930 -1.326 1.00 0.00 C ATOM 608 OD1 ASP A 131 -13.801 3.871 -1.721 1.00 0.00 O ATOM 609 OD2 ASP A 131 -15.477 5.292 -1.671 1.00 0.00 O ATOM 0 H ASP A 131 -11.948 3.955 -0.383 1.00 0.00 H new ATOM 0 HA ASP A 131 -12.646 5.797 1.571 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -14.151 6.694 -0.127 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -12.656 6.186 -0.887 1.00 0.00 H new ATOM 614 N PRO A 132 -15.082 5.400 2.388 1.00 0.00 N ATOM 615 CA PRO A 132 -16.298 5.008 3.104 1.00 0.00 C ATOM 616 C PRO A 132 -17.249 4.214 2.217 1.00 0.00 C ATOM 617 O PRO A 132 -17.201 4.327 0.991 1.00 0.00 O ATOM 618 CB PRO A 132 -16.935 6.346 3.518 1.00 0.00 C ATOM 619 CG PRO A 132 -16.099 7.415 2.884 1.00 0.00 C ATOM 620 CD PRO A 132 -14.750 6.806 2.636 1.00 0.00 C ATOM 0 HA PRO A 132 -16.079 4.358 3.951 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -17.969 6.407 3.179 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -16.948 6.453 4.603 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -16.548 7.757 1.952 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -16.019 8.284 3.537 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -14.249 7.262 1.782 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -14.088 6.922 3.494 1.00 0.00 H new ATOM 628 N ASP A 133 -18.097 3.397 2.845 1.00 0.00 N ATOM 629 CA ASP A 133 -19.055 2.559 2.124 1.00 0.00 C ATOM 630 C ASP A 133 -18.368 1.322 1.550 1.00 0.00 C ATOM 631 O ASP A 133 -18.960 0.244 1.499 1.00 0.00 O ATOM 632 CB ASP A 133 -19.753 3.344 1.008 1.00 0.00 C ATOM 633 CG ASP A 133 -20.549 4.520 1.537 1.00 0.00 C ATOM 634 OD1 ASP A 133 -19.946 5.405 2.181 1.00 0.00 O ATOM 635 OD2 ASP A 133 -21.776 4.559 1.307 1.00 0.00 O ATOM 0 H ASP A 133 -18.139 3.298 3.859 1.00 0.00 H new ATOM 0 HA ASP A 133 -19.813 2.238 2.838 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -19.007 3.704 0.300 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -20.418 2.677 0.460 1.00 0.00 H new ATOM 640 N PHE A 134 -17.114 1.479 1.131 1.00 0.00 N ATOM 641 CA PHE A 134 -16.353 0.364 0.577 1.00 0.00 C ATOM 642 C PHE A 134 -15.301 -0.101 1.579 1.00 0.00 C ATOM 643 O PHE A 134 -14.502 0.700 2.067 1.00 0.00 O ATOM 644 CB PHE A 134 -15.667 0.768 -0.734 1.00 0.00 C ATOM 645 CG PHE A 134 -16.590 1.376 -1.753 1.00 0.00 C ATOM 646 CD1 PHE A 134 -17.096 2.654 -1.573 1.00 0.00 C ATOM 647 CD2 PHE A 134 -16.940 0.677 -2.896 1.00 0.00 C ATOM 648 CE1 PHE A 134 -17.935 3.221 -2.511 1.00 0.00 C ATOM 649 CE2 PHE A 134 -17.780 1.239 -3.839 1.00 0.00 C ATOM 650 CZ PHE A 134 -18.279 2.513 -3.646 1.00 0.00 C ATOM 0 H PHE A 134 -16.606 2.363 1.165 1.00 0.00 H new ATOM 0 HA PHE A 134 -17.047 -0.451 0.372 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -14.872 1.480 -0.510 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -15.194 -0.112 -1.169 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -16.830 3.213 -0.688 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -16.552 -0.319 -3.052 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -18.322 4.217 -2.358 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -18.046 0.683 -4.726 1.00 0.00 H new ATOM 0 HZ PHE A 134 -18.936 2.954 -4.381 1.00 0.00 H new ATOM 660 N HIS A 135 -15.306 -1.393 1.887 1.00 0.00 N ATOM 661 CA HIS A 135 -14.351 -1.952 2.840 1.00 0.00 C ATOM 662 C HIS A 135 -13.285 -2.784 2.133 1.00 0.00 C ATOM 663 O HIS A 135 -13.586 -3.564 1.229 1.00 0.00 O ATOM 664 CB HIS A 135 -15.074 -2.802 3.887 1.00 0.00 C ATOM 665 CG HIS A 135 -15.765 -4.003 3.323 1.00 0.00 C ATOM 666 ND1 HIS A 135 -16.758 -3.924 2.370 1.00 0.00 N ATOM 667 CD2 HIS A 135 -15.604 -5.323 3.584 1.00 0.00 C ATOM 668 CE1 HIS A 135 -17.177 -5.140 2.069 1.00 0.00 C ATOM 669 NE2 HIS A 135 -16.492 -6.007 2.793 1.00 0.00 N ATOM 0 H HIS A 135 -15.958 -2.072 1.493 1.00 0.00 H new ATOM 0 HA HIS A 135 -13.855 -1.120 3.340 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -14.353 -3.129 4.636 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -15.808 -2.181 4.401 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -14.906 -5.756 4.285 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -17.948 -5.384 1.353 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -16.605 -7.020 2.768 1.00 0.00 H new ATOM 678 N LEU A 136 -12.036 -2.613 2.559 1.00 0.00 N ATOM 679 CA LEU A 136 -10.918 -3.348 1.979 1.00 0.00 C ATOM 680 C LEU A 136 -10.968 -4.817 2.387 1.00 0.00 C ATOM 681 O LEU A 136 -11.241 -5.140 3.543 1.00 0.00 O ATOM 682 CB LEU A 136 -9.592 -2.724 2.413 1.00 0.00 C ATOM 683 CG LEU A 136 -8.336 -3.433 1.901 1.00 0.00 C ATOM 684 CD1 LEU A 136 -8.384 -3.593 0.388 1.00 0.00 C ATOM 685 CD2 LEU A 136 -7.094 -2.667 2.320 1.00 0.00 C ATOM 0 H LEU A 136 -11.774 -1.970 3.306 1.00 0.00 H new ATOM 0 HA LEU A 136 -10.996 -3.290 0.893 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -9.568 -1.689 2.073 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -9.559 -2.703 3.502 1.00 0.00 H new ATOM 0 HG LEU A 136 -8.297 -4.428 2.343 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -7.481 -4.099 0.047 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -9.258 -4.184 0.112 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -8.448 -2.611 -0.080 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -6.207 -3.181 1.950 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -7.130 -1.660 1.904 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -7.052 -2.609 3.408 1.00 0.00 H new ATOM 697 N VAL A 137 -10.715 -5.704 1.428 1.00 0.00 N ATOM 698 CA VAL A 137 -10.744 -7.137 1.689 1.00 0.00 C ATOM 699 C VAL A 137 -9.533 -7.844 1.080 1.00 0.00 C ATOM 700 O VAL A 137 -9.675 -8.625 0.137 1.00 0.00 O ATOM 701 CB VAL A 137 -12.034 -7.776 1.132 1.00 0.00 C ATOM 702 CG1 VAL A 137 -12.116 -9.249 1.508 1.00 0.00 C ATOM 703 CG2 VAL A 137 -13.260 -7.024 1.626 1.00 0.00 C ATOM 0 H VAL A 137 -10.488 -5.454 0.465 1.00 0.00 H new ATOM 0 HA VAL A 137 -10.717 -7.261 2.772 1.00 0.00 H new ATOM 0 HB VAL A 137 -12.006 -7.707 0.045 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -13.034 -9.677 1.104 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -11.257 -9.778 1.096 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -12.117 -9.348 2.594 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -14.159 -7.489 1.223 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -13.292 -7.056 2.715 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -13.209 -5.987 1.295 1.00 0.00 H new ATOM 713 N GLY A 138 -8.340 -7.576 1.610 1.00 0.00 N ATOM 714 CA GLY A 138 -7.157 -8.221 1.074 1.00 0.00 C ATOM 715 C GLY A 138 -5.892 -7.875 1.830 1.00 0.00 C ATOM 716 O GLY A 138 -5.879 -7.869 3.061 1.00 0.00 O ATOM 0 H GLY A 138 -8.175 -6.936 2.387 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -7.300 -9.301 1.094 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -7.037 -7.935 0.029 1.00 0.00 H new ATOM 720 N SER A 139 -4.828 -7.597 1.082 1.00 0.00 N ATOM 721 CA SER A 139 -3.540 -7.253 1.661 1.00 0.00 C ATOM 722 C SER A 139 -3.563 -5.838 2.227 1.00 0.00 C ATOM 723 O SER A 139 -2.793 -4.975 1.803 1.00 0.00 O ATOM 724 CB SER A 139 -2.453 -7.370 0.599 1.00 0.00 C ATOM 725 OG SER A 139 -2.673 -6.446 -0.450 1.00 0.00 O ATOM 0 H SER A 139 -4.837 -7.605 0.062 1.00 0.00 H new ATOM 0 HA SER A 139 -3.328 -7.945 2.476 1.00 0.00 H new ATOM 0 HB2 SER A 139 -1.477 -7.190 1.050 1.00 0.00 H new ATOM 0 HB3 SER A 139 -2.437 -8.384 0.199 1.00 0.00 H new ATOM 0 HG SER A 139 -2.100 -6.673 -1.212 1.00 0.00 H new ATOM 731 N SER A 140 -4.455 -5.609 3.181 1.00 0.00 N ATOM 732 CA SER A 140 -4.599 -4.312 3.808 1.00 0.00 C ATOM 733 C SER A 140 -3.242 -3.748 4.228 1.00 0.00 C ATOM 734 O SER A 140 -3.013 -2.542 4.160 1.00 0.00 O ATOM 735 CB SER A 140 -5.536 -4.441 5.006 1.00 0.00 C ATOM 736 OG SER A 140 -4.959 -5.241 6.024 1.00 0.00 O ATOM 0 H SER A 140 -5.095 -6.318 3.538 1.00 0.00 H new ATOM 0 HA SER A 140 -5.027 -3.612 3.090 1.00 0.00 H new ATOM 0 HB2 SER A 140 -5.762 -3.451 5.402 1.00 0.00 H new ATOM 0 HB3 SER A 140 -6.481 -4.880 4.686 1.00 0.00 H new ATOM 0 HG SER A 140 -5.579 -5.306 6.780 1.00 0.00 H new ATOM 742 N ARG A 141 -2.341 -4.633 4.645 1.00 0.00 N ATOM 743 CA ARG A 141 -0.999 -4.228 5.057 1.00 0.00 C ATOM 744 C ARG A 141 0.041 -4.688 4.037 1.00 0.00 C ATOM 745 O ARG A 141 -0.038 -5.804 3.523 1.00 0.00 O ATOM 746 CB ARG A 141 -0.671 -4.803 6.436 1.00 0.00 C ATOM 747 CG ARG A 141 -1.579 -4.291 7.543 1.00 0.00 C ATOM 748 CD ARG A 141 -1.420 -2.792 7.750 1.00 0.00 C ATOM 749 NE ARG A 141 -2.301 -2.286 8.800 1.00 0.00 N ATOM 750 CZ ARG A 141 -2.227 -2.661 10.075 1.00 0.00 C ATOM 751 NH1 ARG A 141 -1.303 -3.531 10.463 1.00 0.00 N ATOM 752 NH2 ARG A 141 -3.074 -2.161 10.963 1.00 0.00 N ATOM 0 H ARG A 141 -2.515 -5.636 4.707 1.00 0.00 H new ATOM 0 HA ARG A 141 -0.972 -3.140 5.112 1.00 0.00 H new ATOM 0 HB2 ARG A 141 -0.742 -5.890 6.393 1.00 0.00 H new ATOM 0 HB3 ARG A 141 0.362 -4.561 6.685 1.00 0.00 H new ATOM 0 HG2 ARG A 141 -2.617 -4.517 7.297 1.00 0.00 H new ATOM 0 HG3 ARG A 141 -1.351 -4.813 8.472 1.00 0.00 H new ATOM 0 HD2 ARG A 141 -0.385 -2.570 8.008 1.00 0.00 H new ATOM 0 HD3 ARG A 141 -1.634 -2.273 6.816 1.00 0.00 H new ATOM 0 HE ARG A 141 -3.015 -1.605 8.541 1.00 0.00 H new ATOM 0 HH11 ARG A 141 -0.646 -3.915 9.783 1.00 0.00 H new ATOM 0 HH12 ARG A 141 -1.249 -3.816 11.441 1.00 0.00 H new ATOM 0 HH21 ARG A 141 -3.783 -1.489 10.669 1.00 0.00 H new ATOM 0 HH22 ARG A 141 -3.017 -2.448 11.940 1.00 0.00 H new ATOM 766 N SER A 142 1.013 -3.825 3.744 1.00 0.00 N ATOM 767 CA SER A 142 2.062 -4.157 2.778 1.00 0.00 C ATOM 768 C SER A 142 3.405 -3.573 3.208 1.00 0.00 C ATOM 769 O SER A 142 3.516 -2.377 3.475 1.00 0.00 O ATOM 770 CB SER A 142 1.690 -3.627 1.393 1.00 0.00 C ATOM 771 OG SER A 142 2.685 -3.951 0.437 1.00 0.00 O ATOM 0 H SER A 142 1.097 -2.897 4.158 1.00 0.00 H new ATOM 0 HA SER A 142 2.153 -5.242 2.738 1.00 0.00 H new ATOM 0 HB2 SER A 142 0.734 -4.049 1.084 1.00 0.00 H new ATOM 0 HB3 SER A 142 1.562 -2.545 1.437 1.00 0.00 H new ATOM 0 HG SER A 142 2.706 -4.922 0.303 1.00 0.00 H new ATOM 777 N VAL A 143 4.423 -4.428 3.271 1.00 0.00 N ATOM 778 CA VAL A 143 5.760 -3.998 3.665 1.00 0.00 C ATOM 779 C VAL A 143 6.676 -3.894 2.448 1.00 0.00 C ATOM 780 O VAL A 143 6.939 -4.888 1.774 1.00 0.00 O ATOM 781 CB VAL A 143 6.390 -4.977 4.675 1.00 0.00 C ATOM 782 CG1 VAL A 143 7.705 -4.426 5.205 1.00 0.00 C ATOM 783 CG2 VAL A 143 5.428 -5.263 5.818 1.00 0.00 C ATOM 0 H VAL A 143 4.347 -5.422 3.054 1.00 0.00 H new ATOM 0 HA VAL A 143 5.655 -3.019 4.133 1.00 0.00 H new ATOM 0 HB VAL A 143 6.595 -5.915 4.160 1.00 0.00 H new ATOM 0 HG11 VAL A 143 8.135 -5.131 5.917 1.00 0.00 H new ATOM 0 HG12 VAL A 143 8.398 -4.279 4.377 1.00 0.00 H new ATOM 0 HG13 VAL A 143 7.526 -3.473 5.702 1.00 0.00 H new ATOM 0 HG21 VAL A 143 5.892 -5.956 6.520 1.00 0.00 H new ATOM 0 HG22 VAL A 143 5.187 -4.333 6.333 1.00 0.00 H new ATOM 0 HG23 VAL A 143 4.514 -5.705 5.422 1.00 0.00 H new ATOM 793 N CYS A 144 7.164 -2.688 2.175 1.00 0.00 N ATOM 794 CA CYS A 144 8.053 -2.466 1.040 1.00 0.00 C ATOM 795 C CYS A 144 9.430 -3.069 1.300 1.00 0.00 C ATOM 796 O CYS A 144 9.953 -2.991 2.413 1.00 0.00 O ATOM 797 CB CYS A 144 8.181 -0.972 0.745 1.00 0.00 C ATOM 798 SG CYS A 144 9.282 -0.583 -0.653 1.00 0.00 S ATOM 0 H CYS A 144 6.960 -1.852 2.722 1.00 0.00 H new ATOM 0 HA CYS A 144 7.619 -2.961 0.171 1.00 0.00 H new ATOM 0 HB2 CYS A 144 7.190 -0.567 0.537 1.00 0.00 H new ATOM 0 HB3 CYS A 144 8.551 -0.467 1.637 1.00 0.00 H new ATOM 803 N SER A 145 10.015 -3.669 0.266 1.00 0.00 N ATOM 804 CA SER A 145 11.333 -4.285 0.379 1.00 0.00 C ATOM 805 C SER A 145 11.874 -4.664 -0.996 1.00 0.00 C ATOM 806 O SER A 145 11.171 -5.270 -1.804 1.00 0.00 O ATOM 807 CB SER A 145 11.263 -5.528 1.270 1.00 0.00 C ATOM 808 OG SER A 145 12.526 -6.163 1.360 1.00 0.00 O ATOM 0 H SER A 145 9.595 -3.741 -0.661 1.00 0.00 H new ATOM 0 HA SER A 145 12.009 -3.559 0.830 1.00 0.00 H new ATOM 0 HB2 SER A 145 10.922 -5.246 2.266 1.00 0.00 H new ATOM 0 HB3 SER A 145 10.529 -6.227 0.868 1.00 0.00 H new ATOM 0 HG SER A 145 13.088 -5.684 2.004 1.00 0.00 H new ATOM 814 N GLN A 146 13.127 -4.296 -1.258 1.00 0.00 N ATOM 815 CA GLN A 146 13.761 -4.591 -2.539 1.00 0.00 C ATOM 816 C GLN A 146 12.937 -4.021 -3.689 1.00 0.00 C ATOM 817 O GLN A 146 12.753 -4.671 -4.719 1.00 0.00 O ATOM 818 CB GLN A 146 13.934 -6.102 -2.713 1.00 0.00 C ATOM 819 CG GLN A 146 14.858 -6.731 -1.681 1.00 0.00 C ATOM 820 CD GLN A 146 14.979 -8.238 -1.827 1.00 0.00 C ATOM 821 OE1 GLN A 146 14.273 -8.808 -2.800 1.00 0.00 O flip ATOM 822 NE2 GLN A 146 15.702 -8.887 -1.071 1.00 0.00 N flip ATOM 0 H GLN A 146 13.722 -3.793 -0.600 1.00 0.00 H new ATOM 0 HA GLN A 146 14.745 -4.122 -2.551 1.00 0.00 H new ATOM 0 HB2 GLN A 146 12.957 -6.581 -2.653 1.00 0.00 H new ATOM 0 HB3 GLN A 146 14.326 -6.302 -3.710 1.00 0.00 H new ATOM 0 HG2 GLN A 146 15.848 -6.283 -1.768 1.00 0.00 H new ATOM 0 HG3 GLN A 146 14.489 -6.497 -0.682 1.00 0.00 H new ATOM 0 HE21 GLN A 146 16.228 -8.413 -0.337 1.00 0.00 H new ATOM 0 HE22 GLN A 146 15.775 -9.899 -1.179 1.00 0.00 H new ATOM 831 N GLY A 147 12.438 -2.804 -3.498 1.00 0.00 N ATOM 832 CA GLY A 147 11.631 -2.157 -4.517 1.00 0.00 C ATOM 833 C GLY A 147 10.422 -2.991 -4.908 1.00 0.00 C ATOM 834 O GLY A 147 9.898 -2.858 -6.013 1.00 0.00 O ATOM 0 H GLY A 147 12.579 -2.252 -2.652 1.00 0.00 H new ATOM 0 HA2 GLY A 147 11.297 -1.186 -4.151 1.00 0.00 H new ATOM 0 HA3 GLY A 147 12.243 -1.972 -5.400 1.00 0.00 H new ATOM 838 N GLN A 148 9.979 -3.851 -3.991 1.00 0.00 N ATOM 839 CA GLN A 148 8.824 -4.713 -4.231 1.00 0.00 C ATOM 840 C GLN A 148 7.977 -4.845 -2.965 1.00 0.00 C ATOM 841 O GLN A 148 8.507 -5.093 -1.882 1.00 0.00 O ATOM 842 CB GLN A 148 9.281 -6.098 -4.694 1.00 0.00 C ATOM 843 CG GLN A 148 10.062 -6.081 -5.998 1.00 0.00 C ATOM 844 CD GLN A 148 10.521 -7.463 -6.420 1.00 0.00 C ATOM 845 OE1 GLN A 148 11.274 -8.125 -5.706 1.00 0.00 O ATOM 846 NE2 GLN A 148 10.067 -7.908 -7.586 1.00 0.00 N ATOM 0 H GLN A 148 10.405 -3.969 -3.072 1.00 0.00 H new ATOM 0 HA GLN A 148 8.217 -4.258 -5.013 1.00 0.00 H new ATOM 0 HB2 GLN A 148 9.900 -6.545 -3.916 1.00 0.00 H new ATOM 0 HB3 GLN A 148 8.407 -6.738 -4.813 1.00 0.00 H new ATOM 0 HG2 GLN A 148 9.440 -5.653 -6.784 1.00 0.00 H new ATOM 0 HG3 GLN A 148 10.930 -5.431 -5.889 1.00 0.00 H new ATOM 0 HE21 GLN A 148 9.444 -7.326 -8.146 1.00 0.00 H new ATOM 0 HE22 GLN A 148 10.341 -8.832 -7.921 1.00 0.00 H new ATOM 855 N TRP A 149 6.665 -4.679 -3.103 1.00 0.00 N ATOM 856 CA TRP A 149 5.763 -4.782 -1.959 1.00 0.00 C ATOM 857 C TRP A 149 5.638 -6.226 -1.488 1.00 0.00 C ATOM 858 O TRP A 149 5.554 -7.149 -2.298 1.00 0.00 O ATOM 859 CB TRP A 149 4.378 -4.231 -2.301 1.00 0.00 C ATOM 860 CG TRP A 149 4.406 -2.824 -2.809 1.00 0.00 C ATOM 861 CD1 TRP A 149 4.417 -2.421 -4.113 1.00 0.00 C ATOM 862 CD2 TRP A 149 4.451 -1.632 -2.020 1.00 0.00 C ATOM 863 NE1 TRP A 149 4.442 -1.049 -4.182 1.00 0.00 N ATOM 864 CE2 TRP A 149 4.469 -0.541 -2.909 1.00 0.00 C ATOM 865 CE3 TRP A 149 4.472 -1.382 -0.646 1.00 0.00 C ATOM 866 CZ2 TRP A 149 4.506 0.779 -2.466 1.00 0.00 C ATOM 867 CZ3 TRP A 149 4.512 -0.073 -0.209 1.00 0.00 C ATOM 868 CH2 TRP A 149 4.528 0.993 -1.115 1.00 0.00 C ATOM 0 H TRP A 149 6.204 -4.474 -3.990 1.00 0.00 H new ATOM 0 HA TRP A 149 6.190 -4.185 -1.153 1.00 0.00 H new ATOM 0 HB2 TRP A 149 3.916 -4.871 -3.052 1.00 0.00 H new ATOM 0 HB3 TRP A 149 3.748 -4.276 -1.413 1.00 0.00 H new ATOM 0 HD1 TRP A 149 4.407 -3.084 -4.966 1.00 0.00 H new ATOM 0 HE1 TRP A 149 4.441 -0.498 -5.040 1.00 0.00 H new ATOM 0 HE3 TRP A 149 4.457 -2.198 0.062 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 4.517 1.603 -3.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 4.531 0.132 0.851 1.00 0.00 H new ATOM 0 HH2 TRP A 149 4.558 2.005 -0.740 1.00 0.00 H new ATOM 879 N SER A 150 5.628 -6.412 -0.171 1.00 0.00 N ATOM 880 CA SER A 150 5.514 -7.743 0.414 1.00 0.00 C ATOM 881 C SER A 150 4.247 -8.449 -0.059 1.00 0.00 C ATOM 882 O SER A 150 4.312 -9.532 -0.643 1.00 0.00 O ATOM 883 CB SER A 150 5.517 -7.651 1.941 1.00 0.00 C ATOM 884 OG SER A 150 5.424 -8.937 2.530 1.00 0.00 O ATOM 0 H SER A 150 5.698 -5.657 0.511 1.00 0.00 H new ATOM 0 HA SER A 150 6.373 -8.327 0.085 1.00 0.00 H new ATOM 0 HB2 SER A 150 6.430 -7.159 2.277 1.00 0.00 H new ATOM 0 HB3 SER A 150 4.682 -7.034 2.273 1.00 0.00 H new ATOM 0 HG SER A 150 5.430 -8.851 3.506 1.00 0.00 H new ATOM 890 N THR A 151 3.094 -7.836 0.200 1.00 0.00 N ATOM 891 CA THR A 151 1.817 -8.420 -0.197 1.00 0.00 C ATOM 892 C THR A 151 1.262 -7.756 -1.458 1.00 0.00 C ATOM 893 O THR A 151 1.289 -6.533 -1.588 1.00 0.00 O ATOM 894 CB THR A 151 0.777 -8.302 0.931 1.00 0.00 C ATOM 895 OG1 THR A 151 0.552 -6.924 1.247 1.00 0.00 O ATOM 896 CG2 THR A 151 1.241 -9.044 2.176 1.00 0.00 C ATOM 0 H THR A 151 3.019 -6.940 0.681 1.00 0.00 H new ATOM 0 HA THR A 151 2.006 -9.473 -0.406 1.00 0.00 H new ATOM 0 HB THR A 151 -0.154 -8.752 0.585 1.00 0.00 H new ATOM 0 HG1 THR A 151 0.506 -6.815 2.220 1.00 0.00 H new ATOM 0 HG21 THR A 151 0.489 -8.946 2.959 1.00 0.00 H new ATOM 0 HG22 THR A 151 1.383 -10.098 1.939 1.00 0.00 H new ATOM 0 HG23 THR A 151 2.183 -8.620 2.522 1.00 0.00 H new ATOM 904 N PRO A 152 0.741 -8.562 -2.404 1.00 0.00 N ATOM 905 CA PRO A 152 0.171 -8.050 -3.659 1.00 0.00 C ATOM 906 C PRO A 152 -1.008 -7.114 -3.410 1.00 0.00 C ATOM 907 O PRO A 152 -1.838 -7.373 -2.541 1.00 0.00 O ATOM 908 CB PRO A 152 -0.295 -9.314 -4.391 1.00 0.00 C ATOM 909 CG PRO A 152 0.473 -10.427 -3.764 1.00 0.00 C ATOM 910 CD PRO A 152 0.664 -10.030 -2.329 1.00 0.00 C ATOM 0 HA PRO A 152 0.894 -7.463 -4.225 1.00 0.00 H new ATOM 0 HB2 PRO A 152 -1.369 -9.463 -4.278 1.00 0.00 H new ATOM 0 HB3 PRO A 152 -0.093 -9.248 -5.460 1.00 0.00 H new ATOM 0 HG2 PRO A 152 -0.070 -11.369 -3.841 1.00 0.00 H new ATOM 0 HG3 PRO A 152 1.432 -10.570 -4.262 1.00 0.00 H new ATOM 0 HD2 PRO A 152 -0.166 -10.360 -1.704 1.00 0.00 H new ATOM 0 HD3 PRO A 152 1.572 -10.462 -1.907 1.00 0.00 H new ATOM 918 N LYS A 153 -1.069 -6.025 -4.172 1.00 0.00 N ATOM 919 CA LYS A 153 -2.141 -5.039 -4.031 1.00 0.00 C ATOM 920 C LYS A 153 -3.514 -5.712 -3.986 1.00 0.00 C ATOM 921 O LYS A 153 -3.822 -6.566 -4.818 1.00 0.00 O ATOM 922 CB LYS A 153 -2.088 -4.038 -5.186 1.00 0.00 C ATOM 923 CG LYS A 153 -3.001 -2.839 -4.995 1.00 0.00 C ATOM 924 CD LYS A 153 -2.913 -1.881 -6.171 1.00 0.00 C ATOM 925 CE LYS A 153 -3.734 -0.626 -5.928 1.00 0.00 C ATOM 926 NZ LYS A 153 -3.664 0.316 -7.080 1.00 0.00 N ATOM 0 H LYS A 153 -0.387 -5.801 -4.896 1.00 0.00 H new ATOM 0 HA LYS A 153 -1.992 -4.512 -3.088 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -1.063 -3.688 -5.305 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -2.360 -4.548 -6.110 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -4.030 -3.179 -4.877 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -2.731 -2.317 -4.077 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -1.872 -1.608 -6.343 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -3.265 -2.379 -7.074 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -4.773 -0.901 -5.747 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -3.375 -0.126 -5.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -4.237 1.159 -6.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -2.676 0.599 -7.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -4.030 -0.152 -7.934 1.00 0.00 H new ATOM 940 N PRO A 154 -4.358 -5.339 -3.003 1.00 0.00 N ATOM 941 CA PRO A 154 -5.694 -5.912 -2.844 1.00 0.00 C ATOM 942 C PRO A 154 -6.745 -5.230 -3.719 1.00 0.00 C ATOM 943 O PRO A 154 -6.447 -4.762 -4.817 1.00 0.00 O ATOM 944 CB PRO A 154 -5.984 -5.666 -1.367 1.00 0.00 C ATOM 945 CG PRO A 154 -5.270 -4.396 -1.049 1.00 0.00 C ATOM 946 CD PRO A 154 -4.069 -4.333 -1.963 1.00 0.00 C ATOM 0 HA PRO A 154 -5.731 -6.959 -3.145 1.00 0.00 H new ATOM 0 HB2 PRO A 154 -7.055 -5.575 -1.183 1.00 0.00 H new ATOM 0 HB3 PRO A 154 -5.623 -6.489 -0.750 1.00 0.00 H new ATOM 0 HG2 PRO A 154 -5.921 -3.536 -1.206 1.00 0.00 H new ATOM 0 HG3 PRO A 154 -4.962 -4.376 -0.004 1.00 0.00 H new ATOM 0 HD2 PRO A 154 -3.946 -3.339 -2.393 1.00 0.00 H new ATOM 0 HD3 PRO A 154 -3.148 -4.565 -1.428 1.00 0.00 H new ATOM 954 N HIS A 155 -7.979 -5.183 -3.218 1.00 0.00 N ATOM 955 CA HIS A 155 -9.084 -4.564 -3.943 1.00 0.00 C ATOM 956 C HIS A 155 -10.157 -4.062 -2.979 1.00 0.00 C ATOM 957 O HIS A 155 -10.352 -4.629 -1.903 1.00 0.00 O ATOM 958 CB HIS A 155 -9.691 -5.558 -4.936 1.00 0.00 C ATOM 959 CG HIS A 155 -10.149 -6.835 -4.305 1.00 0.00 C ATOM 960 ND1 HIS A 155 -9.300 -7.685 -3.627 1.00 0.00 N ATOM 961 CD2 HIS A 155 -11.374 -7.409 -4.252 1.00 0.00 C ATOM 962 CE1 HIS A 155 -9.983 -8.727 -3.188 1.00 0.00 C ATOM 963 NE2 HIS A 155 -11.243 -8.584 -3.552 1.00 0.00 N ATOM 0 H HIS A 155 -8.237 -5.568 -2.310 1.00 0.00 H new ATOM 0 HA HIS A 155 -8.691 -3.709 -4.493 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -10.537 -5.087 -5.437 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -8.953 -5.787 -5.704 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -12.284 -7.016 -4.680 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -9.578 -9.556 -2.626 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -11.997 -9.239 -3.347 1.00 0.00 H new ATOM 972 N CYS A 156 -10.852 -2.997 -3.371 1.00 0.00 N ATOM 973 CA CYS A 156 -11.907 -2.420 -2.541 1.00 0.00 C ATOM 974 C CYS A 156 -13.281 -2.912 -2.983 1.00 0.00 C ATOM 975 O CYS A 156 -13.576 -2.968 -4.177 1.00 0.00 O ATOM 976 CB CYS A 156 -11.862 -0.891 -2.608 1.00 0.00 C ATOM 977 SG CYS A 156 -10.354 -0.152 -1.905 1.00 0.00 S ATOM 0 H CYS A 156 -10.704 -2.516 -4.258 1.00 0.00 H new ATOM 0 HA CYS A 156 -11.736 -2.740 -1.513 1.00 0.00 H new ATOM 0 HB2 CYS A 156 -11.952 -0.582 -3.649 1.00 0.00 H new ATOM 0 HB3 CYS A 156 -12.728 -0.491 -2.081 1.00 0.00 H new ATOM 982 N GLN A 157 -14.119 -3.270 -2.013 1.00 0.00 N ATOM 983 CA GLN A 157 -15.463 -3.757 -2.305 1.00 0.00 C ATOM 984 C GLN A 157 -16.486 -3.144 -1.353 1.00 0.00 C ATOM 985 O GLN A 157 -16.269 -3.093 -0.143 1.00 0.00 O ATOM 986 CB GLN A 157 -15.508 -5.284 -2.205 1.00 0.00 C ATOM 987 CG GLN A 157 -16.881 -5.872 -2.485 1.00 0.00 C ATOM 988 CD GLN A 157 -16.894 -7.387 -2.411 1.00 0.00 C ATOM 989 OE1 GLN A 157 -16.571 -7.972 -1.377 1.00 0.00 O ATOM 990 NE2 GLN A 157 -17.269 -8.030 -3.511 1.00 0.00 N ATOM 0 H GLN A 157 -13.891 -3.232 -1.020 1.00 0.00 H new ATOM 0 HA GLN A 157 -15.716 -3.457 -3.322 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -14.791 -5.707 -2.908 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -15.190 -5.584 -1.206 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -17.597 -5.471 -1.768 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -17.212 -5.558 -3.475 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -17.528 -7.504 -4.346 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -17.298 -9.050 -3.521 1.00 0.00 H new ATOM 999 N VAL A 158 -17.600 -2.681 -1.910 1.00 0.00 N ATOM 1000 CA VAL A 158 -18.661 -2.071 -1.117 1.00 0.00 C ATOM 1001 C VAL A 158 -19.306 -3.088 -0.179 1.00 0.00 C ATOM 1002 O VAL A 158 -19.479 -4.254 -0.536 1.00 0.00 O ATOM 1003 CB VAL A 158 -19.750 -1.450 -2.017 1.00 0.00 C ATOM 1004 CG1 VAL A 158 -20.381 -2.512 -2.904 1.00 0.00 C ATOM 1005 CG2 VAL A 158 -20.805 -0.747 -1.175 1.00 0.00 C ATOM 0 H VAL A 158 -17.792 -2.717 -2.911 1.00 0.00 H new ATOM 0 HA VAL A 158 -18.198 -1.282 -0.524 1.00 0.00 H new ATOM 0 HB VAL A 158 -19.281 -0.706 -2.661 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -21.146 -2.055 -3.531 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -19.615 -2.961 -3.536 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -20.835 -3.283 -2.282 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -21.564 -0.316 -1.828 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -21.272 -1.466 -0.502 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -20.336 0.045 -0.591 1.00 0.00 H new ATOM 1015 N ASN A 159 -19.656 -2.639 1.024 1.00 0.00 N ATOM 1016 CA ASN A 159 -20.281 -3.508 2.017 1.00 0.00 C ATOM 1017 C ASN A 159 -21.547 -4.150 1.458 1.00 0.00 C ATOM 1018 O ASN A 159 -22.587 -3.460 1.407 1.00 0.00 O ATOM 1019 CB ASN A 159 -20.617 -2.714 3.282 1.00 0.00 C ATOM 1020 CG ASN A 159 -19.390 -2.093 3.920 1.00 0.00 C ATOM 1021 OD1 ASN A 159 -18.453 -2.793 4.303 1.00 0.00 O ATOM 1022 ND2 ASN A 159 -19.392 -0.770 4.041 1.00 0.00 N ATOM 1023 OXT ASN A 159 -21.488 -5.337 1.074 1.00 0.00 O ATOM 0 H ASN A 159 -19.517 -1.677 1.335 1.00 0.00 H new ATOM 0 HA ASN A 159 -19.573 -4.298 2.268 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -21.331 -1.928 3.035 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -21.103 -3.372 4.002 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -18.595 -0.295 4.465 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -20.190 -0.229 3.709 1.00 0.00 H new