USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=17 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 115:sc= -1.22! USER MOD Set 1.2: A 151 THR OG1 : rot -172:sc= -0.0682 USER MOD Set 2.1: A 135 HIS : no HD1:sc= -1.16 K(o=-2.2,f=-7.5!) USER MOD Set 2.2: A 159 ASN : amide:sc= -1.03 K(o=-2.2,f=-4) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -166:sc= -0.0391 (180deg=-0.357) USER MOD Single : A 102 SER OG : rot 180:sc= -0.0225 USER MOD Single : A 103 TYR OH : rot 137:sc= -1.96! USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 ASN :FLIP amide:sc= -0.0501 F(o=-2!,f=-0.05) USER MOD Single : A 110 LYS NZ :NH3+ 165:sc= -0.0586 (180deg=-0.372) USER MOD Single : A 114 THR OG1 : rot -23:sc= 0.714 USER MOD Single : A 139 SER OG : rot 144:sc= -0.884 USER MOD Single : A 140 SER OG : rot 180:sc= -0.0546 USER MOD Single : A 145 SER OG : rot 54:sc= 1.11 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 153 LYS NZ :NH3+ -150:sc= -2.49! (180deg=-5.18!) USER MOD Single : A 155 HIS : no HD1:sc= -0.377 K(o=-0.38,f=-1.2) USER MOD Single : A 157 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD ----------------------------------------------------------------- ATOM 103 N ILE A 98 12.753 3.345 -5.779 1.00 0.00 N ATOM 104 CA ILE A 98 11.378 3.413 -5.302 1.00 0.00 C ATOM 105 C ILE A 98 10.615 2.131 -5.615 1.00 0.00 C ATOM 106 O ILE A 98 10.718 1.578 -6.710 1.00 0.00 O ATOM 107 CB ILE A 98 10.595 4.607 -5.902 1.00 0.00 C ATOM 108 CG1 ILE A 98 10.479 4.481 -7.428 1.00 0.00 C ATOM 109 CG2 ILE A 98 11.240 5.931 -5.522 1.00 0.00 C ATOM 110 CD1 ILE A 98 11.797 4.582 -8.166 1.00 0.00 C ATOM 0 HA ILE A 98 11.451 3.550 -4.223 1.00 0.00 H new ATOM 0 HB ILE A 98 9.589 4.586 -5.482 1.00 0.00 H new ATOM 0 HG12 ILE A 98 10.015 3.524 -7.667 1.00 0.00 H new ATOM 0 HG13 ILE A 98 9.810 5.260 -7.795 1.00 0.00 H new ATOM 0 HG21 ILE A 98 10.669 6.752 -5.957 1.00 0.00 H new ATOM 0 HG22 ILE A 98 11.251 6.032 -4.437 1.00 0.00 H new ATOM 0 HG23 ILE A 98 12.262 5.960 -5.900 1.00 0.00 H new ATOM 0 HD11 ILE A 98 11.623 4.483 -9.237 1.00 0.00 H new ATOM 0 HD12 ILE A 98 12.255 5.549 -7.961 1.00 0.00 H new ATOM 0 HD13 ILE A 98 12.463 3.787 -7.831 1.00 0.00 H new ATOM 122 N CYS A 99 9.843 1.672 -4.637 1.00 0.00 N ATOM 123 CA CYS A 99 9.043 0.464 -4.781 1.00 0.00 C ATOM 124 C CYS A 99 7.989 0.646 -5.870 1.00 0.00 C ATOM 125 O CYS A 99 7.824 1.743 -6.404 1.00 0.00 O ATOM 126 CB CYS A 99 8.365 0.140 -3.452 1.00 0.00 C ATOM 127 SG CYS A 99 9.395 0.505 -1.995 1.00 0.00 S ATOM 0 H CYS A 99 9.755 2.124 -3.727 1.00 0.00 H new ATOM 0 HA CYS A 99 9.697 -0.360 -5.067 1.00 0.00 H new ATOM 0 HB2 CYS A 99 7.437 0.707 -3.380 1.00 0.00 H new ATOM 0 HB3 CYS A 99 8.096 -0.916 -3.440 1.00 0.00 H new ATOM 132 N SER A 100 7.280 -0.434 -6.194 1.00 0.00 N ATOM 133 CA SER A 100 6.239 -0.396 -7.220 1.00 0.00 C ATOM 134 C SER A 100 5.388 0.867 -7.097 1.00 0.00 C ATOM 135 O SER A 100 4.893 1.193 -6.018 1.00 0.00 O ATOM 136 CB SER A 100 5.350 -1.636 -7.122 1.00 0.00 C ATOM 137 OG SER A 100 6.105 -2.821 -7.300 1.00 0.00 O ATOM 0 H SER A 100 7.408 -1.348 -5.760 1.00 0.00 H new ATOM 0 HA SER A 100 6.729 -0.384 -8.193 1.00 0.00 H new ATOM 0 HB2 SER A 100 4.857 -1.658 -6.150 1.00 0.00 H new ATOM 0 HB3 SER A 100 4.565 -1.585 -7.876 1.00 0.00 H new ATOM 0 HG SER A 100 5.513 -3.599 -7.231 1.00 0.00 H new ATOM 143 N LYS A 101 5.228 1.572 -8.212 1.00 0.00 N ATOM 144 CA LYS A 101 4.444 2.803 -8.244 1.00 0.00 C ATOM 145 C LYS A 101 2.944 2.510 -8.241 1.00 0.00 C ATOM 146 O LYS A 101 2.150 3.297 -7.725 1.00 0.00 O ATOM 147 CB LYS A 101 4.808 3.624 -9.483 1.00 0.00 C ATOM 148 CG LYS A 101 4.088 4.961 -9.570 1.00 0.00 C ATOM 149 CD LYS A 101 4.517 5.903 -8.454 1.00 0.00 C ATOM 150 CE LYS A 101 3.802 7.240 -8.549 1.00 0.00 C ATOM 151 NZ LYS A 101 4.031 7.902 -9.864 1.00 0.00 N ATOM 0 H LYS A 101 5.633 1.310 -9.111 1.00 0.00 H new ATOM 0 HA LYS A 101 4.680 3.373 -7.345 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.884 3.801 -9.486 1.00 0.00 H new ATOM 0 HB3 LYS A 101 4.578 3.040 -10.374 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.293 5.423 -10.536 1.00 0.00 H new ATOM 0 HG3 LYS A 101 3.011 4.799 -9.516 1.00 0.00 H new ATOM 0 HD2 LYS A 101 4.306 5.444 -7.488 1.00 0.00 H new ATOM 0 HD3 LYS A 101 5.594 6.061 -8.504 1.00 0.00 H new ATOM 0 HE2 LYS A 101 2.733 7.091 -8.399 1.00 0.00 H new ATOM 0 HE3 LYS A 101 4.148 7.894 -7.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 3.734 8.897 -9.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 5.042 7.855 -10.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.477 7.416 -10.598 1.00 0.00 H new ATOM 165 N SER A 102 2.566 1.384 -8.837 1.00 0.00 N ATOM 166 CA SER A 102 1.161 0.989 -8.926 1.00 0.00 C ATOM 167 C SER A 102 0.481 0.989 -7.560 1.00 0.00 C ATOM 168 O SER A 102 -0.647 1.464 -7.421 1.00 0.00 O ATOM 169 CB SER A 102 1.044 -0.396 -9.564 1.00 0.00 C ATOM 170 OG SER A 102 1.727 -1.372 -8.796 1.00 0.00 O ATOM 0 H SER A 102 3.215 0.725 -9.268 1.00 0.00 H new ATOM 0 HA SER A 102 0.653 1.725 -9.550 1.00 0.00 H new ATOM 0 HB2 SER A 102 -0.007 -0.670 -9.654 1.00 0.00 H new ATOM 0 HB3 SER A 102 1.455 -0.371 -10.573 1.00 0.00 H new ATOM 0 HG SER A 102 1.635 -2.249 -9.225 1.00 0.00 H new ATOM 176 N TYR A 103 1.163 0.451 -6.553 1.00 0.00 N ATOM 177 CA TYR A 103 0.608 0.390 -5.203 1.00 0.00 C ATOM 178 C TYR A 103 0.230 1.781 -4.702 1.00 0.00 C ATOM 179 O TYR A 103 -0.817 1.962 -4.081 1.00 0.00 O ATOM 180 CB TYR A 103 1.601 -0.263 -4.238 1.00 0.00 C ATOM 181 CG TYR A 103 1.853 -1.730 -4.516 1.00 0.00 C ATOM 182 CD1 TYR A 103 2.276 -2.162 -5.767 1.00 0.00 C ATOM 183 CD2 TYR A 103 1.665 -2.684 -3.523 1.00 0.00 C ATOM 184 CE1 TYR A 103 2.506 -3.500 -6.021 1.00 0.00 C ATOM 185 CE2 TYR A 103 1.892 -4.025 -3.770 1.00 0.00 C ATOM 186 CZ TYR A 103 2.312 -4.428 -5.019 1.00 0.00 C ATOM 187 OH TYR A 103 2.539 -5.761 -5.269 1.00 0.00 O ATOM 0 H TYR A 103 2.097 0.052 -6.645 1.00 0.00 H new ATOM 0 HA TYR A 103 -0.295 -0.219 -5.243 1.00 0.00 H new ATOM 0 HB2 TYR A 103 2.548 0.274 -4.288 1.00 0.00 H new ATOM 0 HB3 TYR A 103 1.227 -0.155 -3.220 1.00 0.00 H new ATOM 0 HD1 TYR A 103 2.428 -1.439 -6.555 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.336 -2.373 -2.543 1.00 0.00 H new ATOM 0 HE1 TYR A 103 2.836 -3.818 -6.999 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.741 -4.754 -2.987 1.00 0.00 H new ATOM 0 HH TYR A 103 3.020 -6.158 -4.513 1.00 0.00 H new ATOM 197 N LEU A 104 1.087 2.760 -4.979 1.00 0.00 N ATOM 198 CA LEU A 104 0.837 4.134 -4.557 1.00 0.00 C ATOM 199 C LEU A 104 -0.478 4.650 -5.133 1.00 0.00 C ATOM 200 O LEU A 104 -0.810 4.377 -6.287 1.00 0.00 O ATOM 201 CB LEU A 104 1.990 5.044 -4.987 1.00 0.00 C ATOM 202 CG LEU A 104 3.341 4.732 -4.336 1.00 0.00 C ATOM 203 CD1 LEU A 104 4.413 5.678 -4.857 1.00 0.00 C ATOM 204 CD2 LEU A 104 3.239 4.825 -2.821 1.00 0.00 C ATOM 0 H LEU A 104 1.958 2.627 -5.492 1.00 0.00 H new ATOM 0 HA LEU A 104 0.765 4.144 -3.469 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.101 4.977 -6.069 1.00 0.00 H new ATOM 0 HB3 LEU A 104 1.723 6.076 -4.758 1.00 0.00 H new ATOM 0 HG LEU A 104 3.622 3.712 -4.599 1.00 0.00 H new ATOM 0 HD11 LEU A 104 5.367 5.443 -4.384 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.505 5.564 -5.937 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.136 6.706 -4.623 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.209 4.600 -2.377 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.935 5.833 -2.538 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.500 4.109 -2.461 1.00 0.00 H new ATOM 216 N THR A 105 -1.221 5.394 -4.315 1.00 0.00 N ATOM 217 CA THR A 105 -2.507 5.952 -4.725 1.00 0.00 C ATOM 218 C THR A 105 -3.527 4.849 -4.989 1.00 0.00 C ATOM 219 O THR A 105 -3.208 3.821 -5.589 1.00 0.00 O ATOM 220 CB THR A 105 -2.369 6.830 -5.985 1.00 0.00 C ATOM 221 OG1 THR A 105 -1.425 7.882 -5.747 1.00 0.00 O ATOM 222 CG2 THR A 105 -3.711 7.432 -6.378 1.00 0.00 C ATOM 0 H THR A 105 -0.951 5.625 -3.359 1.00 0.00 H new ATOM 0 HA THR A 105 -2.857 6.574 -3.901 1.00 0.00 H new ATOM 0 HB THR A 105 -2.017 6.199 -6.802 1.00 0.00 H new ATOM 0 HG1 THR A 105 -1.341 8.435 -6.552 1.00 0.00 H new ATOM 0 HG21 THR A 105 -3.587 8.047 -7.269 1.00 0.00 H new ATOM 0 HG22 THR A 105 -4.422 6.632 -6.585 1.00 0.00 H new ATOM 0 HG23 THR A 105 -4.086 8.049 -5.561 1.00 0.00 H new ATOM 230 N LEU A 106 -4.755 5.065 -4.529 1.00 0.00 N ATOM 231 CA LEU A 106 -5.822 4.086 -4.705 1.00 0.00 C ATOM 232 C LEU A 106 -7.171 4.764 -4.909 1.00 0.00 C ATOM 233 O LEU A 106 -7.535 5.682 -4.175 1.00 0.00 O ATOM 234 CB LEU A 106 -5.894 3.164 -3.487 1.00 0.00 C ATOM 235 CG LEU A 106 -7.064 2.175 -3.483 1.00 0.00 C ATOM 236 CD1 LEU A 106 -7.036 1.300 -4.726 1.00 0.00 C ATOM 237 CD2 LEU A 106 -7.030 1.319 -2.227 1.00 0.00 C ATOM 0 H LEU A 106 -5.036 5.910 -4.031 1.00 0.00 H new ATOM 0 HA LEU A 106 -5.593 3.502 -5.596 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -4.963 2.600 -3.423 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.957 3.779 -2.589 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.993 2.745 -3.490 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.876 0.606 -4.701 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -7.110 1.927 -5.614 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -6.102 0.739 -4.755 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.868 0.622 -2.239 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -6.094 0.761 -2.192 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -7.104 1.959 -1.348 1.00 0.00 H new ATOM 249 N GLU A 107 -7.914 4.293 -5.903 1.00 0.00 N ATOM 250 CA GLU A 107 -9.230 4.840 -6.194 1.00 0.00 C ATOM 251 C GLU A 107 -10.199 4.510 -5.065 1.00 0.00 C ATOM 252 O GLU A 107 -10.166 3.409 -4.511 1.00 0.00 O ATOM 253 CB GLU A 107 -9.760 4.290 -7.520 1.00 0.00 C ATOM 254 CG GLU A 107 -9.915 2.777 -7.536 1.00 0.00 C ATOM 255 CD GLU A 107 -10.467 2.261 -8.851 1.00 0.00 C ATOM 256 OE1 GLU A 107 -9.824 2.491 -9.896 1.00 0.00 O ATOM 257 OE2 GLU A 107 -11.542 1.626 -8.835 1.00 0.00 O ATOM 0 H GLU A 107 -7.626 3.534 -6.520 1.00 0.00 H new ATOM 0 HA GLU A 107 -9.142 5.923 -6.279 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -10.726 4.748 -7.733 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -9.084 4.586 -8.322 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -8.947 2.314 -7.346 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -10.577 2.475 -6.725 1.00 0.00 H new ATOM 264 N ASN A 108 -11.054 5.468 -4.725 1.00 0.00 N ATOM 265 CA ASN A 108 -12.033 5.285 -3.658 1.00 0.00 C ATOM 266 C ASN A 108 -11.353 5.116 -2.301 1.00 0.00 C ATOM 267 O ASN A 108 -11.877 4.437 -1.418 1.00 0.00 O ATOM 268 CB ASN A 108 -12.920 4.068 -3.952 1.00 0.00 C ATOM 269 CG ASN A 108 -13.782 4.248 -5.188 1.00 0.00 C ATOM 270 OD1 ASN A 108 -13.674 5.406 -5.834 1.00 0.00 O flip ATOM 271 ND2 ASN A 108 -14.540 3.353 -5.562 1.00 0.00 N flip ATOM 0 H ASN A 108 -11.089 6.383 -5.174 1.00 0.00 H new ATOM 0 HA ASN A 108 -12.652 6.181 -3.619 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -12.289 3.188 -4.080 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -13.562 3.877 -3.092 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -14.594 2.479 -5.039 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -15.114 3.486 -6.395 1.00 0.00 H new ATOM 278 N GLY A 109 -10.193 5.747 -2.133 1.00 0.00 N ATOM 279 CA GLY A 109 -9.483 5.654 -0.869 1.00 0.00 C ATOM 280 C GLY A 109 -8.135 6.348 -0.893 1.00 0.00 C ATOM 281 O GLY A 109 -7.824 7.093 -1.823 1.00 0.00 O ATOM 0 H GLY A 109 -9.735 6.317 -2.844 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -10.096 6.091 -0.081 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -9.340 4.604 -0.616 1.00 0.00 H new ATOM 285 N LYS A 110 -7.335 6.098 0.138 1.00 0.00 N ATOM 286 CA LYS A 110 -6.008 6.690 0.254 1.00 0.00 C ATOM 287 C LYS A 110 -5.038 5.673 0.839 1.00 0.00 C ATOM 288 O LYS A 110 -5.403 4.880 1.704 1.00 0.00 O ATOM 289 CB LYS A 110 -6.066 7.944 1.130 1.00 0.00 C ATOM 290 CG LYS A 110 -4.822 8.820 1.067 1.00 0.00 C ATOM 291 CD LYS A 110 -3.682 8.259 1.903 1.00 0.00 C ATOM 292 CE LYS A 110 -2.469 9.176 1.874 1.00 0.00 C ATOM 293 NZ LYS A 110 -2.789 10.536 2.390 1.00 0.00 N ATOM 0 H LYS A 110 -7.586 5.483 0.912 1.00 0.00 H new ATOM 0 HA LYS A 110 -5.657 6.978 -0.737 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -6.929 8.540 0.832 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -6.229 7.641 2.164 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -4.498 8.914 0.031 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -5.068 9.823 1.417 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -4.015 8.126 2.932 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -3.404 7.274 1.528 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.669 8.739 2.472 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -2.097 9.253 0.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -1.906 11.047 2.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -3.335 11.059 1.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -3.350 10.453 3.262 1.00 0.00 H new ATOM 307 N VAL A 111 -3.805 5.695 0.360 1.00 0.00 N ATOM 308 CA VAL A 111 -2.793 4.761 0.839 1.00 0.00 C ATOM 309 C VAL A 111 -1.778 5.453 1.741 1.00 0.00 C ATOM 310 O VAL A 111 -1.093 6.387 1.323 1.00 0.00 O ATOM 311 CB VAL A 111 -2.049 4.096 -0.336 1.00 0.00 C ATOM 312 CG1 VAL A 111 -0.986 3.135 0.177 1.00 0.00 C ATOM 313 CG2 VAL A 111 -3.029 3.377 -1.251 1.00 0.00 C ATOM 0 H VAL A 111 -3.480 6.344 -0.356 1.00 0.00 H new ATOM 0 HA VAL A 111 -3.317 3.997 1.414 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.552 4.876 -0.913 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -0.472 2.676 -0.668 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.266 3.681 0.787 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -1.458 2.359 0.780 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -2.485 2.914 -2.074 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -3.557 2.608 -0.687 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -3.748 4.093 -1.648 1.00 0.00 H new ATOM 323 N PHE A 112 -1.677 4.976 2.980 1.00 0.00 N ATOM 324 CA PHE A 112 -0.736 5.537 3.939 1.00 0.00 C ATOM 325 C PHE A 112 0.690 5.185 3.538 1.00 0.00 C ATOM 326 O PHE A 112 1.012 4.015 3.337 1.00 0.00 O ATOM 327 CB PHE A 112 -1.021 5.014 5.350 1.00 0.00 C ATOM 328 CG PHE A 112 -2.360 5.421 5.902 1.00 0.00 C ATOM 329 CD1 PHE A 112 -3.536 5.042 5.270 1.00 0.00 C ATOM 330 CD2 PHE A 112 -2.441 6.178 7.059 1.00 0.00 C ATOM 331 CE1 PHE A 112 -4.764 5.412 5.784 1.00 0.00 C ATOM 332 CE2 PHE A 112 -3.666 6.550 7.577 1.00 0.00 C ATOM 333 CZ PHE A 112 -4.830 6.167 6.938 1.00 0.00 C ATOM 0 H PHE A 112 -2.236 4.203 3.340 1.00 0.00 H new ATOM 0 HA PHE A 112 -0.854 6.621 3.940 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -0.960 3.926 5.341 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -0.240 5.371 6.022 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -3.491 4.452 4.367 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -1.535 6.481 7.562 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -5.672 5.111 5.283 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -3.714 7.140 8.481 1.00 0.00 H new ATOM 0 HZ PHE A 112 -5.789 6.458 7.340 1.00 0.00 H new ATOM 343 N LEU A 113 1.537 6.201 3.417 1.00 0.00 N ATOM 344 CA LEU A 113 2.927 5.991 3.032 1.00 0.00 C ATOM 345 C LEU A 113 3.856 6.163 4.229 1.00 0.00 C ATOM 346 O LEU A 113 3.648 7.036 5.071 1.00 0.00 O ATOM 347 CB LEU A 113 3.309 6.959 1.900 1.00 0.00 C ATOM 348 CG LEU A 113 4.720 6.796 1.314 1.00 0.00 C ATOM 349 CD1 LEU A 113 5.772 7.378 2.248 1.00 0.00 C ATOM 350 CD2 LEU A 113 5.017 5.331 1.025 1.00 0.00 C ATOM 0 H LEU A 113 1.286 7.176 3.580 1.00 0.00 H new ATOM 0 HA LEU A 113 3.038 4.968 2.671 1.00 0.00 H new ATOM 0 HB2 LEU A 113 2.587 6.843 1.092 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.209 7.978 2.273 1.00 0.00 H new ATOM 0 HG LEU A 113 4.758 7.349 0.375 1.00 0.00 H new ATOM 0 HD11 LEU A 113 6.761 7.249 1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.578 8.440 2.398 1.00 0.00 H new ATOM 0 HD13 LEU A 113 5.732 6.863 3.208 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.021 5.238 0.611 1.00 0.00 H new ATOM 0 HD22 LEU A 113 4.951 4.757 1.949 1.00 0.00 H new ATOM 0 HD23 LEU A 113 4.292 4.947 0.308 1.00 0.00 H new ATOM 362 N THR A 114 4.883 5.321 4.294 1.00 0.00 N ATOM 363 CA THR A 114 5.852 5.370 5.381 1.00 0.00 C ATOM 364 C THR A 114 7.158 4.695 4.968 1.00 0.00 C ATOM 365 O THR A 114 7.538 3.657 5.512 1.00 0.00 O ATOM 366 CB THR A 114 5.306 4.693 6.656 1.00 0.00 C ATOM 367 OG1 THR A 114 4.039 5.260 7.008 1.00 0.00 O ATOM 368 CG2 THR A 114 6.275 4.860 7.819 1.00 0.00 C ATOM 0 H THR A 114 5.065 4.594 3.602 1.00 0.00 H new ATOM 0 HA THR A 114 6.040 6.421 5.600 1.00 0.00 H new ATOM 0 HB THR A 114 5.187 3.629 6.449 1.00 0.00 H new ATOM 0 HG1 THR A 114 3.962 6.156 6.619 1.00 0.00 H new ATOM 0 HG21 THR A 114 5.867 4.374 8.705 1.00 0.00 H new ATOM 0 HG22 THR A 114 7.232 4.405 7.564 1.00 0.00 H new ATOM 0 HG23 THR A 114 6.421 5.921 8.022 1.00 0.00 H new ATOM 376 N GLY A 115 7.838 5.290 3.990 1.00 0.00 N ATOM 377 CA GLY A 115 9.090 4.734 3.511 1.00 0.00 C ATOM 378 C GLY A 115 9.972 5.771 2.844 1.00 0.00 C ATOM 379 O GLY A 115 11.177 5.813 3.081 1.00 0.00 O ATOM 0 H GLY A 115 7.543 6.147 3.522 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.629 4.288 4.347 1.00 0.00 H new ATOM 0 HA3 GLY A 115 8.880 3.932 2.803 1.00 0.00 H new ATOM 383 N GLY A 116 9.370 6.615 2.011 1.00 0.00 N ATOM 384 CA GLY A 116 10.128 7.649 1.328 1.00 0.00 C ATOM 385 C GLY A 116 11.029 7.098 0.239 1.00 0.00 C ATOM 386 O GLY A 116 10.596 6.293 -0.586 1.00 0.00 O ATOM 0 H GLY A 116 8.373 6.602 1.797 1.00 0.00 H new ATOM 0 HA2 GLY A 116 9.437 8.370 0.891 1.00 0.00 H new ATOM 0 HA3 GLY A 116 10.734 8.189 2.056 1.00 0.00 H new ATOM 390 N ASP A 117 12.287 7.537 0.231 1.00 0.00 N ATOM 391 CA ASP A 117 13.248 7.085 -0.770 1.00 0.00 C ATOM 392 C ASP A 117 14.388 6.302 -0.127 1.00 0.00 C ATOM 393 O ASP A 117 15.530 6.357 -0.582 1.00 0.00 O ATOM 394 CB ASP A 117 13.807 8.277 -1.551 1.00 0.00 C ATOM 395 CG ASP A 117 14.514 9.281 -0.658 1.00 0.00 C ATOM 396 OD1 ASP A 117 14.549 9.065 0.572 1.00 0.00 O ATOM 397 OD2 ASP A 117 15.033 10.285 -1.192 1.00 0.00 O ATOM 0 H ASP A 117 12.662 8.204 0.906 1.00 0.00 H new ATOM 0 HA ASP A 117 12.724 6.422 -1.459 1.00 0.00 H new ATOM 0 HB2 ASP A 117 14.503 7.916 -2.308 1.00 0.00 H new ATOM 0 HB3 ASP A 117 12.993 8.775 -2.078 1.00 0.00 H new ATOM 402 N LEU A 118 14.061 5.557 0.922 1.00 0.00 N ATOM 403 CA LEU A 118 15.045 4.741 1.623 1.00 0.00 C ATOM 404 C LEU A 118 15.576 3.656 0.694 1.00 0.00 C ATOM 405 O LEU A 118 14.961 3.377 -0.330 1.00 0.00 O ATOM 406 CB LEU A 118 14.411 4.101 2.862 1.00 0.00 C ATOM 407 CG LEU A 118 13.904 5.082 3.922 1.00 0.00 C ATOM 408 CD1 LEU A 118 13.211 4.331 5.050 1.00 0.00 C ATOM 409 CD2 LEU A 118 15.046 5.927 4.465 1.00 0.00 C ATOM 0 H LEU A 118 13.118 5.501 1.307 1.00 0.00 H new ATOM 0 HA LEU A 118 15.872 5.378 1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 118 13.577 3.477 2.541 1.00 0.00 H new ATOM 0 HB3 LEU A 118 15.144 3.440 3.324 1.00 0.00 H new ATOM 0 HG LEU A 118 13.181 5.750 3.454 1.00 0.00 H new ATOM 0 HD11 LEU A 118 12.856 5.042 5.796 1.00 0.00 H new ATOM 0 HD12 LEU A 118 12.365 3.773 4.649 1.00 0.00 H new ATOM 0 HD13 LEU A 118 13.915 3.640 5.513 1.00 0.00 H new ATOM 0 HD21 LEU A 118 14.663 6.617 5.217 1.00 0.00 H new ATOM 0 HD22 LEU A 118 15.796 5.278 4.917 1.00 0.00 H new ATOM 0 HD23 LEU A 118 15.499 6.493 3.651 1.00 0.00 H new ATOM 421 N PRO A 119 16.725 3.036 1.035 1.00 0.00 N ATOM 422 CA PRO A 119 17.327 1.975 0.220 1.00 0.00 C ATOM 423 C PRO A 119 16.286 0.975 -0.277 1.00 0.00 C ATOM 424 O PRO A 119 16.110 -0.097 0.303 1.00 0.00 O ATOM 425 CB PRO A 119 18.296 1.303 1.190 1.00 0.00 C ATOM 426 CG PRO A 119 18.706 2.389 2.125 1.00 0.00 C ATOM 427 CD PRO A 119 17.529 3.324 2.240 1.00 0.00 C ATOM 0 HA PRO A 119 17.803 2.362 -0.681 1.00 0.00 H new ATOM 0 HB2 PRO A 119 17.817 0.481 1.723 1.00 0.00 H new ATOM 0 HB3 PRO A 119 19.156 0.886 0.666 1.00 0.00 H new ATOM 0 HG2 PRO A 119 18.974 1.981 3.100 1.00 0.00 H new ATOM 0 HG3 PRO A 119 19.583 2.915 1.748 1.00 0.00 H new ATOM 0 HD2 PRO A 119 16.961 3.140 3.152 1.00 0.00 H new ATOM 0 HD3 PRO A 119 17.848 4.366 2.267 1.00 0.00 H new ATOM 435 N ALA A 120 15.581 1.352 -1.341 1.00 0.00 N ATOM 436 CA ALA A 120 14.533 0.520 -1.912 1.00 0.00 C ATOM 437 C ALA A 120 13.452 0.241 -0.875 1.00 0.00 C ATOM 438 O ALA A 120 12.711 -0.737 -0.980 1.00 0.00 O ATOM 439 CB ALA A 120 15.112 -0.777 -2.450 1.00 0.00 C ATOM 0 H ALA A 120 15.721 2.238 -1.827 1.00 0.00 H new ATOM 0 HA ALA A 120 14.079 1.058 -2.744 1.00 0.00 H new ATOM 0 HB1 ALA A 120 14.312 -1.385 -2.873 1.00 0.00 H new ATOM 0 HB2 ALA A 120 15.846 -0.554 -3.224 1.00 0.00 H new ATOM 0 HB3 ALA A 120 15.594 -1.324 -1.640 1.00 0.00 H new ATOM 445 N LEU A 121 13.371 1.120 0.124 1.00 0.00 N ATOM 446 CA LEU A 121 12.386 0.995 1.192 1.00 0.00 C ATOM 447 C LEU A 121 12.297 -0.440 1.695 1.00 0.00 C ATOM 448 O LEU A 121 11.255 -1.085 1.579 1.00 0.00 O ATOM 449 CB LEU A 121 11.011 1.481 0.724 1.00 0.00 C ATOM 450 CG LEU A 121 10.893 2.986 0.494 1.00 0.00 C ATOM 451 CD1 LEU A 121 11.755 3.424 -0.680 1.00 0.00 C ATOM 452 CD2 LEU A 121 9.443 3.378 0.264 1.00 0.00 C ATOM 0 H LEU A 121 13.982 1.932 0.213 1.00 0.00 H new ATOM 0 HA LEU A 121 12.714 1.625 2.019 1.00 0.00 H new ATOM 0 HB2 LEU A 121 10.759 0.968 -0.204 1.00 0.00 H new ATOM 0 HB3 LEU A 121 10.268 1.184 1.464 1.00 0.00 H new ATOM 0 HG LEU A 121 11.252 3.495 1.388 1.00 0.00 H new ATOM 0 HD11 LEU A 121 11.654 4.500 -0.824 1.00 0.00 H new ATOM 0 HD12 LEU A 121 12.798 3.181 -0.476 1.00 0.00 H new ATOM 0 HD13 LEU A 121 11.432 2.905 -1.582 1.00 0.00 H new ATOM 0 HD21 LEU A 121 9.378 4.454 0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 121 9.059 2.855 -0.612 1.00 0.00 H new ATOM 0 HD23 LEU A 121 8.850 3.106 1.137 1.00 0.00 H new ATOM 464 N ASP A 122 13.401 -0.936 2.247 1.00 0.00 N ATOM 465 CA ASP A 122 13.455 -2.298 2.767 1.00 0.00 C ATOM 466 C ASP A 122 12.710 -2.409 4.098 1.00 0.00 C ATOM 467 O ASP A 122 13.176 -3.058 5.034 1.00 0.00 O ATOM 468 CB ASP A 122 14.912 -2.739 2.931 1.00 0.00 C ATOM 469 CG ASP A 122 15.042 -4.180 3.385 1.00 0.00 C ATOM 470 OD1 ASP A 122 14.571 -5.077 2.654 1.00 0.00 O ATOM 471 OD2 ASP A 122 15.614 -4.411 4.470 1.00 0.00 O ATOM 0 H ASP A 122 14.271 -0.414 2.346 1.00 0.00 H new ATOM 0 HA ASP A 122 12.963 -2.958 2.052 1.00 0.00 H new ATOM 0 HB2 ASP A 122 15.434 -2.613 1.982 1.00 0.00 H new ATOM 0 HB3 ASP A 122 15.404 -2.089 3.654 1.00 0.00 H new ATOM 476 N GLY A 123 11.546 -1.771 4.171 1.00 0.00 N ATOM 477 CA GLY A 123 10.748 -1.810 5.381 1.00 0.00 C ATOM 478 C GLY A 123 9.713 -0.701 5.427 1.00 0.00 C ATOM 479 O GLY A 123 9.327 -0.249 6.505 1.00 0.00 O ATOM 0 H GLY A 123 11.141 -1.226 3.410 1.00 0.00 H new ATOM 0 HA2 GLY A 123 10.246 -2.775 5.451 1.00 0.00 H new ATOM 0 HA3 GLY A 123 11.403 -1.728 6.248 1.00 0.00 H new ATOM 483 N ALA A 124 9.260 -0.266 4.254 1.00 0.00 N ATOM 484 CA ALA A 124 8.262 0.794 4.167 1.00 0.00 C ATOM 485 C ALA A 124 6.868 0.262 4.478 1.00 0.00 C ATOM 486 O ALA A 124 6.382 -0.654 3.814 1.00 0.00 O ATOM 487 CB ALA A 124 8.283 1.430 2.787 1.00 0.00 C ATOM 0 H ALA A 124 9.568 -0.631 3.353 1.00 0.00 H new ATOM 0 HA ALA A 124 8.512 1.552 4.910 1.00 0.00 H new ATOM 0 HB1 ALA A 124 7.533 2.219 2.739 1.00 0.00 H new ATOM 0 HB2 ALA A 124 9.269 1.855 2.597 1.00 0.00 H new ATOM 0 HB3 ALA A 124 8.063 0.673 2.034 1.00 0.00 H new ATOM 493 N ARG A 125 6.225 0.844 5.483 1.00 0.00 N ATOM 494 CA ARG A 125 4.883 0.431 5.872 1.00 0.00 C ATOM 495 C ARG A 125 3.832 1.245 5.125 1.00 0.00 C ATOM 496 O ARG A 125 3.942 2.466 5.020 1.00 0.00 O ATOM 497 CB ARG A 125 4.694 0.587 7.382 1.00 0.00 C ATOM 498 CG ARG A 125 5.626 -0.289 8.202 1.00 0.00 C ATOM 499 CD ARG A 125 5.404 -0.096 9.694 1.00 0.00 C ATOM 500 NE ARG A 125 5.641 1.283 10.112 1.00 0.00 N ATOM 501 CZ ARG A 125 5.484 1.713 11.361 1.00 0.00 C ATOM 502 NH1 ARG A 125 5.086 0.874 12.308 1.00 0.00 N ATOM 503 NH2 ARG A 125 5.724 2.981 11.663 1.00 0.00 N ATOM 0 H ARG A 125 6.612 1.604 6.043 1.00 0.00 H new ATOM 0 HA ARG A 125 4.759 -0.620 5.609 1.00 0.00 H new ATOM 0 HB2 ARG A 125 4.855 1.630 7.655 1.00 0.00 H new ATOM 0 HB3 ARG A 125 3.662 0.346 7.638 1.00 0.00 H new ATOM 0 HG2 ARG A 125 5.466 -1.335 7.942 1.00 0.00 H new ATOM 0 HG3 ARG A 125 6.661 -0.053 7.954 1.00 0.00 H new ATOM 0 HD2 ARG A 125 4.383 -0.381 9.948 1.00 0.00 H new ATOM 0 HD3 ARG A 125 6.067 -0.761 10.247 1.00 0.00 H new ATOM 0 HE ARG A 125 5.944 1.954 9.406 1.00 0.00 H new ATOM 0 HH11 ARG A 125 4.900 -0.102 12.079 1.00 0.00 H new ATOM 0 HH12 ARG A 125 4.966 1.205 13.265 1.00 0.00 H new ATOM 0 HH21 ARG A 125 6.030 3.629 10.937 1.00 0.00 H new ATOM 0 HH22 ARG A 125 5.603 3.309 12.621 1.00 0.00 H new ATOM 517 N VAL A 126 2.813 0.564 4.609 1.00 0.00 N ATOM 518 CA VAL A 126 1.746 1.233 3.872 1.00 0.00 C ATOM 519 C VAL A 126 0.400 0.557 4.094 1.00 0.00 C ATOM 520 O VAL A 126 0.308 -0.673 4.143 1.00 0.00 O ATOM 521 CB VAL A 126 2.034 1.273 2.358 1.00 0.00 C ATOM 522 CG1 VAL A 126 3.258 2.126 2.068 1.00 0.00 C ATOM 523 CG2 VAL A 126 2.209 -0.134 1.810 1.00 0.00 C ATOM 0 H VAL A 126 2.704 -0.447 4.687 1.00 0.00 H new ATOM 0 HA VAL A 126 1.707 2.252 4.257 1.00 0.00 H new ATOM 0 HB VAL A 126 1.180 1.728 1.856 1.00 0.00 H new ATOM 0 HG11 VAL A 126 3.445 2.142 0.994 1.00 0.00 H new ATOM 0 HG12 VAL A 126 3.085 3.143 2.421 1.00 0.00 H new ATOM 0 HG13 VAL A 126 4.124 1.706 2.581 1.00 0.00 H new ATOM 0 HG21 VAL A 126 2.411 -0.085 0.740 1.00 0.00 H new ATOM 0 HG22 VAL A 126 3.043 -0.620 2.315 1.00 0.00 H new ATOM 0 HG23 VAL A 126 1.298 -0.707 1.981 1.00 0.00 H new ATOM 533 N GLU A 127 -0.642 1.373 4.219 1.00 0.00 N ATOM 534 CA GLU A 127 -1.995 0.869 4.426 1.00 0.00 C ATOM 535 C GLU A 127 -2.917 1.346 3.309 1.00 0.00 C ATOM 536 O GLU A 127 -3.090 2.546 3.104 1.00 0.00 O ATOM 537 CB GLU A 127 -2.531 1.330 5.784 1.00 0.00 C ATOM 538 CG GLU A 127 -3.979 0.937 6.040 1.00 0.00 C ATOM 539 CD GLU A 127 -4.184 -0.567 6.096 1.00 0.00 C ATOM 540 OE1 GLU A 127 -3.187 -1.310 5.988 1.00 0.00 O ATOM 541 OE2 GLU A 127 -5.346 -1.000 6.252 1.00 0.00 O ATOM 0 H GLU A 127 -0.574 2.390 4.180 1.00 0.00 H new ATOM 0 HA GLU A 127 -1.964 -0.220 4.412 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -1.906 0.910 6.572 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -2.442 2.414 5.850 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -4.309 1.378 6.980 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -4.608 1.355 5.254 1.00 0.00 H new ATOM 548 N PHE A 128 -3.506 0.399 2.586 1.00 0.00 N ATOM 549 CA PHE A 128 -4.406 0.728 1.486 1.00 0.00 C ATOM 550 C PHE A 128 -5.822 0.985 1.996 1.00 0.00 C ATOM 551 O PHE A 128 -6.796 0.463 1.451 1.00 0.00 O ATOM 552 CB PHE A 128 -4.408 -0.396 0.444 1.00 0.00 C ATOM 553 CG PHE A 128 -3.049 -0.693 -0.132 1.00 0.00 C ATOM 554 CD1 PHE A 128 -2.018 -1.145 0.679 1.00 0.00 C ATOM 555 CD2 PHE A 128 -2.801 -0.516 -1.484 1.00 0.00 C ATOM 556 CE1 PHE A 128 -0.768 -1.413 0.154 1.00 0.00 C ATOM 557 CE2 PHE A 128 -1.553 -0.784 -2.014 1.00 0.00 C ATOM 558 CZ PHE A 128 -0.536 -1.233 -1.195 1.00 0.00 C ATOM 0 H PHE A 128 -3.377 -0.601 2.741 1.00 0.00 H new ATOM 0 HA PHE A 128 -4.046 1.642 1.014 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -4.804 -1.302 0.902 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -5.085 -0.126 -0.367 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -2.195 -1.289 1.735 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -3.592 -0.165 -2.131 1.00 0.00 H new ATOM 0 HE1 PHE A 128 0.026 -1.763 0.798 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -1.373 -0.642 -3.069 1.00 0.00 H new ATOM 0 HZ PHE A 128 0.439 -1.443 -1.609 1.00 0.00 H new ATOM 568 N ARG A 129 -5.926 1.792 3.049 1.00 0.00 N ATOM 569 CA ARG A 129 -7.218 2.123 3.644 1.00 0.00 C ATOM 570 C ARG A 129 -8.098 2.905 2.672 1.00 0.00 C ATOM 571 O ARG A 129 -7.686 3.932 2.134 1.00 0.00 O ATOM 572 CB ARG A 129 -7.008 2.937 4.924 1.00 0.00 C ATOM 573 CG ARG A 129 -8.298 3.432 5.558 1.00 0.00 C ATOM 574 CD ARG A 129 -9.193 2.282 5.987 1.00 0.00 C ATOM 575 NE ARG A 129 -8.551 1.428 6.981 1.00 0.00 N ATOM 576 CZ ARG A 129 -9.144 0.382 7.547 1.00 0.00 C ATOM 577 NH1 ARG A 129 -10.392 0.067 7.224 1.00 0.00 N ATOM 578 NH2 ARG A 129 -8.491 -0.350 8.439 1.00 0.00 N ATOM 0 H ARG A 129 -5.128 2.230 3.509 1.00 0.00 H new ATOM 0 HA ARG A 129 -7.727 1.189 3.882 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -6.470 2.325 5.648 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -6.374 3.794 4.698 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -8.063 4.052 6.423 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -8.833 4.064 4.849 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -10.122 2.679 6.397 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -9.459 1.685 5.115 1.00 0.00 H new ATOM 0 HE ARG A 129 -7.594 1.646 7.257 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -10.899 0.628 6.540 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -10.844 -0.736 7.660 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -7.532 -0.111 8.692 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -8.947 -1.153 8.873 1.00 0.00 H new ATOM 592 N CYS A 130 -9.316 2.417 2.458 1.00 0.00 N ATOM 593 CA CYS A 130 -10.259 3.074 1.559 1.00 0.00 C ATOM 594 C CYS A 130 -11.254 3.937 2.332 1.00 0.00 C ATOM 595 O CYS A 130 -11.461 3.745 3.530 1.00 0.00 O ATOM 596 CB CYS A 130 -10.993 2.043 0.702 1.00 0.00 C ATOM 597 SG CYS A 130 -9.954 1.303 -0.600 1.00 0.00 S ATOM 0 H CYS A 130 -9.674 1.568 2.895 1.00 0.00 H new ATOM 0 HA CYS A 130 -9.690 3.730 0.901 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -11.372 1.250 1.347 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -11.858 2.518 0.239 1.00 0.00 H new ATOM 602 N ASP A 131 -11.857 4.895 1.632 1.00 0.00 N ATOM 603 CA ASP A 131 -12.826 5.808 2.234 1.00 0.00 C ATOM 604 C ASP A 131 -13.936 5.056 2.967 1.00 0.00 C ATOM 605 O ASP A 131 -14.308 3.951 2.576 1.00 0.00 O ATOM 606 CB ASP A 131 -13.435 6.712 1.161 1.00 0.00 C ATOM 607 CG ASP A 131 -12.417 7.662 0.559 1.00 0.00 C ATOM 608 OD1 ASP A 131 -11.846 8.475 1.316 1.00 0.00 O ATOM 609 OD2 ASP A 131 -12.191 7.592 -0.667 1.00 0.00 O ATOM 0 H ASP A 131 -11.690 5.060 0.639 1.00 0.00 H new ATOM 0 HA ASP A 131 -12.293 6.415 2.966 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -13.864 6.095 0.371 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -14.252 7.287 1.596 1.00 0.00 H new ATOM 614 N PRO A 132 -14.473 5.656 4.050 1.00 0.00 N ATOM 615 CA PRO A 132 -15.546 5.053 4.856 1.00 0.00 C ATOM 616 C PRO A 132 -16.768 4.676 4.023 1.00 0.00 C ATOM 617 O PRO A 132 -17.767 5.396 4.003 1.00 0.00 O ATOM 618 CB PRO A 132 -15.906 6.152 5.860 1.00 0.00 C ATOM 619 CG PRO A 132 -14.689 7.005 5.945 1.00 0.00 C ATOM 620 CD PRO A 132 -14.070 6.975 4.576 1.00 0.00 C ATOM 0 HA PRO A 132 -15.222 4.121 5.320 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -16.769 6.727 5.524 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -16.162 5.731 6.832 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -14.945 8.024 6.236 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -13.996 6.624 6.696 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -14.439 7.788 3.950 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -12.986 7.075 4.623 1.00 0.00 H new ATOM 628 N ASP A 133 -16.675 3.540 3.343 1.00 0.00 N ATOM 629 CA ASP A 133 -17.757 3.041 2.503 1.00 0.00 C ATOM 630 C ASP A 133 -17.349 1.713 1.880 1.00 0.00 C ATOM 631 O ASP A 133 -18.147 0.779 1.791 1.00 0.00 O ATOM 632 CB ASP A 133 -18.102 4.053 1.407 1.00 0.00 C ATOM 633 CG ASP A 133 -19.308 3.634 0.587 1.00 0.00 C ATOM 634 OD1 ASP A 133 -19.260 2.551 -0.033 1.00 0.00 O ATOM 635 OD2 ASP A 133 -20.301 4.391 0.565 1.00 0.00 O ATOM 0 H ASP A 133 -15.850 2.940 3.358 1.00 0.00 H new ATOM 0 HA ASP A 133 -18.642 2.893 3.122 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -18.296 5.024 1.862 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -17.243 4.176 0.747 1.00 0.00 H new ATOM 640 N PHE A 134 -16.090 1.640 1.461 1.00 0.00 N ATOM 641 CA PHE A 134 -15.546 0.433 0.855 1.00 0.00 C ATOM 642 C PHE A 134 -14.561 -0.236 1.807 1.00 0.00 C ATOM 643 O PHE A 134 -13.669 0.421 2.345 1.00 0.00 O ATOM 644 CB PHE A 134 -14.840 0.763 -0.465 1.00 0.00 C ATOM 645 CG PHE A 134 -15.741 1.353 -1.516 1.00 0.00 C ATOM 646 CD1 PHE A 134 -16.399 2.553 -1.299 1.00 0.00 C ATOM 647 CD2 PHE A 134 -15.926 0.702 -2.725 1.00 0.00 C ATOM 648 CE1 PHE A 134 -17.225 3.092 -2.267 1.00 0.00 C ATOM 649 CE2 PHE A 134 -16.751 1.236 -3.697 1.00 0.00 C ATOM 650 CZ PHE A 134 -17.400 2.433 -3.468 1.00 0.00 C ATOM 0 H PHE A 134 -15.424 2.409 1.531 1.00 0.00 H new ATOM 0 HA PHE A 134 -16.372 -0.249 0.653 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -14.028 1.462 -0.265 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -14.388 -0.147 -0.859 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -16.265 3.073 -0.362 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -15.420 -0.234 -2.910 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -17.733 4.027 -2.085 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -16.888 0.718 -4.634 1.00 0.00 H new ATOM 0 HZ PHE A 134 -18.043 2.853 -4.227 1.00 0.00 H new ATOM 660 N HIS A 135 -14.719 -1.539 2.014 1.00 0.00 N ATOM 661 CA HIS A 135 -13.828 -2.273 2.904 1.00 0.00 C ATOM 662 C HIS A 135 -12.812 -3.083 2.109 1.00 0.00 C ATOM 663 O HIS A 135 -13.167 -3.809 1.179 1.00 0.00 O ATOM 664 CB HIS A 135 -14.625 -3.189 3.840 1.00 0.00 C ATOM 665 CG HIS A 135 -15.444 -4.225 3.133 1.00 0.00 C ATOM 666 ND1 HIS A 135 -16.469 -3.913 2.264 1.00 0.00 N ATOM 667 CD2 HIS A 135 -15.388 -5.577 3.175 1.00 0.00 C ATOM 668 CE1 HIS A 135 -17.008 -5.029 1.805 1.00 0.00 C ATOM 669 NE2 HIS A 135 -16.370 -6.051 2.342 1.00 0.00 N ATOM 0 H HIS A 135 -15.449 -2.104 1.581 1.00 0.00 H new ATOM 0 HA HIS A 135 -13.288 -1.546 3.511 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -13.933 -3.689 4.517 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -15.285 -2.577 4.454 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -14.699 -6.172 3.756 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -17.831 -5.093 1.109 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -16.574 -7.035 2.166 1.00 0.00 H new ATOM 678 N LEU A 136 -11.543 -2.947 2.482 1.00 0.00 N ATOM 679 CA LEU A 136 -10.466 -3.659 1.810 1.00 0.00 C ATOM 680 C LEU A 136 -10.457 -5.127 2.227 1.00 0.00 C ATOM 681 O LEU A 136 -10.577 -5.444 3.410 1.00 0.00 O ATOM 682 CB LEU A 136 -9.123 -3.000 2.134 1.00 0.00 C ATOM 683 CG LEU A 136 -7.933 -3.497 1.311 1.00 0.00 C ATOM 684 CD1 LEU A 136 -8.223 -3.377 -0.176 1.00 0.00 C ATOM 685 CD2 LEU A 136 -6.682 -2.715 1.672 1.00 0.00 C ATOM 0 H LEU A 136 -11.237 -2.348 3.249 1.00 0.00 H new ATOM 0 HA LEU A 136 -10.629 -3.611 0.733 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -9.221 -1.924 1.987 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -8.905 -3.159 3.190 1.00 0.00 H new ATOM 0 HG LEU A 136 -7.767 -4.549 1.543 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -7.365 -3.735 -0.744 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -9.099 -3.976 -0.425 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -8.414 -2.333 -0.426 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -5.842 -3.078 1.080 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -6.842 -1.657 1.465 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -6.463 -2.848 2.731 1.00 0.00 H new ATOM 697 N VAL A 137 -10.334 -6.018 1.249 1.00 0.00 N ATOM 698 CA VAL A 137 -10.332 -7.452 1.519 1.00 0.00 C ATOM 699 C VAL A 137 -9.138 -8.146 0.871 1.00 0.00 C ATOM 700 O VAL A 137 -9.293 -8.893 -0.096 1.00 0.00 O ATOM 701 CB VAL A 137 -11.630 -8.112 1.015 1.00 0.00 C ATOM 702 CG1 VAL A 137 -11.672 -9.584 1.403 1.00 0.00 C ATOM 703 CG2 VAL A 137 -12.847 -7.377 1.552 1.00 0.00 C ATOM 0 H VAL A 137 -10.235 -5.774 0.264 1.00 0.00 H new ATOM 0 HA VAL A 137 -10.262 -7.567 2.601 1.00 0.00 H new ATOM 0 HB VAL A 137 -11.646 -8.048 -0.073 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -12.597 -10.030 1.037 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -10.820 -10.101 0.962 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -11.629 -9.676 2.488 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -13.754 -7.858 1.185 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -12.837 -7.404 2.642 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -12.824 -6.341 1.215 1.00 0.00 H new ATOM 713 N GLY A 138 -7.945 -7.902 1.403 1.00 0.00 N ATOM 714 CA GLY A 138 -6.762 -8.527 0.848 1.00 0.00 C ATOM 715 C GLY A 138 -5.492 -8.108 1.553 1.00 0.00 C ATOM 716 O GLY A 138 -5.422 -8.113 2.782 1.00 0.00 O ATOM 0 H GLY A 138 -7.778 -7.289 2.201 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -6.866 -9.610 0.910 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -6.685 -8.274 -0.210 1.00 0.00 H new ATOM 720 N SER A 139 -4.484 -7.751 0.766 1.00 0.00 N ATOM 721 CA SER A 139 -3.202 -7.327 1.296 1.00 0.00 C ATOM 722 C SER A 139 -3.278 -5.905 1.839 1.00 0.00 C ATOM 723 O SER A 139 -2.506 -5.035 1.434 1.00 0.00 O ATOM 724 CB SER A 139 -2.146 -7.412 0.201 1.00 0.00 C ATOM 725 OG SER A 139 -1.979 -8.746 -0.247 1.00 0.00 O ATOM 0 H SER A 139 -4.536 -7.749 -0.253 1.00 0.00 H new ATOM 0 HA SER A 139 -2.930 -7.988 2.119 1.00 0.00 H new ATOM 0 HB2 SER A 139 -2.435 -6.778 -0.637 1.00 0.00 H new ATOM 0 HB3 SER A 139 -1.197 -7.030 0.577 1.00 0.00 H new ATOM 0 HG SER A 139 -1.802 -8.748 -1.211 1.00 0.00 H new ATOM 731 N SER A 140 -4.214 -5.676 2.754 1.00 0.00 N ATOM 732 CA SER A 140 -4.396 -4.369 3.351 1.00 0.00 C ATOM 733 C SER A 140 -3.063 -3.809 3.838 1.00 0.00 C ATOM 734 O SER A 140 -2.754 -2.637 3.624 1.00 0.00 O ATOM 735 CB SER A 140 -5.394 -4.470 4.501 1.00 0.00 C ATOM 736 OG SER A 140 -4.866 -5.230 5.573 1.00 0.00 O ATOM 0 H SER A 140 -4.860 -6.388 3.096 1.00 0.00 H new ATOM 0 HA SER A 140 -4.789 -3.685 2.599 1.00 0.00 H new ATOM 0 HB2 SER A 140 -5.650 -3.470 4.852 1.00 0.00 H new ATOM 0 HB3 SER A 140 -6.316 -4.929 4.146 1.00 0.00 H new ATOM 0 HG SER A 140 -5.525 -5.277 6.297 1.00 0.00 H new ATOM 742 N ARG A 141 -2.270 -4.667 4.473 1.00 0.00 N ATOM 743 CA ARG A 141 -0.957 -4.271 4.969 1.00 0.00 C ATOM 744 C ARG A 141 0.134 -4.744 4.011 1.00 0.00 C ATOM 745 O ARG A 141 0.117 -5.889 3.559 1.00 0.00 O ATOM 746 CB ARG A 141 -0.720 -4.841 6.369 1.00 0.00 C ATOM 747 CG ARG A 141 -0.855 -6.354 6.447 1.00 0.00 C ATOM 748 CD ARG A 141 -0.659 -6.858 7.868 1.00 0.00 C ATOM 749 NE ARG A 141 0.668 -6.535 8.390 1.00 0.00 N ATOM 750 CZ ARG A 141 1.800 -7.016 7.884 1.00 0.00 C ATOM 751 NH1 ARG A 141 1.771 -7.853 6.854 1.00 0.00 N ATOM 752 NH2 ARG A 141 2.964 -6.665 8.413 1.00 0.00 N ATOM 0 H ARG A 141 -2.514 -5.640 4.656 1.00 0.00 H new ATOM 0 HA ARG A 141 -0.922 -3.183 5.029 1.00 0.00 H new ATOM 0 HB2 ARG A 141 0.278 -4.557 6.703 1.00 0.00 H new ATOM 0 HB3 ARG A 141 -1.429 -4.386 7.061 1.00 0.00 H new ATOM 0 HG2 ARG A 141 -1.840 -6.652 6.087 1.00 0.00 H new ATOM 0 HG3 ARG A 141 -0.121 -6.820 5.790 1.00 0.00 H new ATOM 0 HD2 ARG A 141 -1.419 -6.420 8.515 1.00 0.00 H new ATOM 0 HD3 ARG A 141 -0.804 -7.938 7.892 1.00 0.00 H new ATOM 0 HE ARG A 141 0.729 -5.904 9.189 1.00 0.00 H new ATOM 0 HH11 ARG A 141 0.878 -8.130 6.447 1.00 0.00 H new ATOM 0 HH12 ARG A 141 2.642 -8.219 6.470 1.00 0.00 H new ATOM 0 HH21 ARG A 141 2.991 -6.026 9.208 1.00 0.00 H new ATOM 0 HH22 ARG A 141 3.832 -7.034 8.025 1.00 0.00 H new ATOM 766 N SER A 142 1.074 -3.858 3.696 1.00 0.00 N ATOM 767 CA SER A 142 2.164 -4.189 2.779 1.00 0.00 C ATOM 768 C SER A 142 3.461 -3.512 3.207 1.00 0.00 C ATOM 769 O SER A 142 3.472 -2.333 3.562 1.00 0.00 O ATOM 770 CB SER A 142 1.804 -3.759 1.356 1.00 0.00 C ATOM 771 OG SER A 142 2.846 -4.072 0.450 1.00 0.00 O ATOM 0 H SER A 142 1.105 -2.906 4.061 1.00 0.00 H new ATOM 0 HA SER A 142 2.311 -5.269 2.805 1.00 0.00 H new ATOM 0 HB2 SER A 142 0.885 -4.256 1.044 1.00 0.00 H new ATOM 0 HB3 SER A 142 1.609 -2.687 1.335 1.00 0.00 H new ATOM 0 HG SER A 142 2.533 -4.746 -0.189 1.00 0.00 H new ATOM 777 N VAL A 143 4.554 -4.267 3.162 1.00 0.00 N ATOM 778 CA VAL A 143 5.862 -3.745 3.536 1.00 0.00 C ATOM 779 C VAL A 143 6.843 -3.895 2.379 1.00 0.00 C ATOM 780 O VAL A 143 7.148 -5.010 1.954 1.00 0.00 O ATOM 781 CB VAL A 143 6.426 -4.474 4.771 1.00 0.00 C ATOM 782 CG1 VAL A 143 7.784 -3.908 5.155 1.00 0.00 C ATOM 783 CG2 VAL A 143 5.454 -4.379 5.937 1.00 0.00 C ATOM 0 H VAL A 143 4.559 -5.244 2.870 1.00 0.00 H new ATOM 0 HA VAL A 143 5.735 -2.690 3.779 1.00 0.00 H new ATOM 0 HB VAL A 143 6.556 -5.526 4.519 1.00 0.00 H new ATOM 0 HG11 VAL A 143 8.164 -4.436 6.029 1.00 0.00 H new ATOM 0 HG12 VAL A 143 8.479 -4.033 4.324 1.00 0.00 H new ATOM 0 HG13 VAL A 143 7.684 -2.848 5.387 1.00 0.00 H new ATOM 0 HG21 VAL A 143 5.869 -4.899 6.800 1.00 0.00 H new ATOM 0 HG22 VAL A 143 5.290 -3.331 6.189 1.00 0.00 H new ATOM 0 HG23 VAL A 143 4.505 -4.838 5.658 1.00 0.00 H new ATOM 793 N CYS A 144 7.333 -2.770 1.871 1.00 0.00 N ATOM 794 CA CYS A 144 8.273 -2.786 0.758 1.00 0.00 C ATOM 795 C CYS A 144 9.598 -3.426 1.155 1.00 0.00 C ATOM 796 O CYS A 144 9.972 -3.439 2.328 1.00 0.00 O ATOM 797 CB CYS A 144 8.522 -1.373 0.230 1.00 0.00 C ATOM 798 SG CYS A 144 9.716 -1.309 -1.147 1.00 0.00 S ATOM 0 H CYS A 144 7.095 -1.838 2.211 1.00 0.00 H new ATOM 0 HA CYS A 144 7.822 -3.386 -0.033 1.00 0.00 H new ATOM 0 HB2 CYS A 144 7.575 -0.945 -0.101 1.00 0.00 H new ATOM 0 HB3 CYS A 144 8.886 -0.748 1.045 1.00 0.00 H new ATOM 803 N SER A 145 10.302 -3.946 0.158 1.00 0.00 N ATOM 804 CA SER A 145 11.592 -4.586 0.368 1.00 0.00 C ATOM 805 C SER A 145 12.299 -4.777 -0.970 1.00 0.00 C ATOM 806 O SER A 145 11.766 -5.416 -1.878 1.00 0.00 O ATOM 807 CB SER A 145 11.408 -5.936 1.066 1.00 0.00 C ATOM 808 OG SER A 145 12.655 -6.570 1.290 1.00 0.00 O ATOM 0 H SER A 145 9.996 -3.936 -0.815 1.00 0.00 H new ATOM 0 HA SER A 145 12.204 -3.947 1.005 1.00 0.00 H new ATOM 0 HB2 SER A 145 10.895 -5.790 2.017 1.00 0.00 H new ATOM 0 HB3 SER A 145 10.774 -6.580 0.457 1.00 0.00 H new ATOM 0 HG SER A 145 13.250 -5.959 1.773 1.00 0.00 H new ATOM 814 N GLN A 146 13.497 -4.209 -1.089 1.00 0.00 N ATOM 815 CA GLN A 146 14.270 -4.304 -2.323 1.00 0.00 C ATOM 816 C GLN A 146 13.476 -3.740 -3.500 1.00 0.00 C ATOM 817 O GLN A 146 13.436 -4.329 -4.580 1.00 0.00 O ATOM 818 CB GLN A 146 14.662 -5.758 -2.599 1.00 0.00 C ATOM 819 CG GLN A 146 15.504 -6.381 -1.496 1.00 0.00 C ATOM 820 CD GLN A 146 15.910 -7.814 -1.792 1.00 0.00 C ATOM 821 OE1 GLN A 146 15.503 -8.327 -2.949 1.00 0.00 O flip ATOM 822 NE2 GLN A 146 16.586 -8.455 -0.988 1.00 0.00 N flip ATOM 0 H GLN A 146 13.952 -3.679 -0.346 1.00 0.00 H new ATOM 0 HA GLN A 146 15.178 -3.714 -2.203 1.00 0.00 H new ATOM 0 HB2 GLN A 146 13.757 -6.351 -2.732 1.00 0.00 H new ATOM 0 HB3 GLN A 146 15.215 -5.805 -3.537 1.00 0.00 H new ATOM 0 HG2 GLN A 146 16.401 -5.779 -1.348 1.00 0.00 H new ATOM 0 HG3 GLN A 146 14.944 -6.354 -0.561 1.00 0.00 H new ATOM 0 HE21 GLN A 146 16.879 -8.025 -0.111 1.00 0.00 H new ATOM 0 HE22 GLN A 146 16.854 -9.416 -1.199 1.00 0.00 H new ATOM 831 N GLY A 147 12.843 -2.591 -3.274 1.00 0.00 N ATOM 832 CA GLY A 147 12.051 -1.950 -4.310 1.00 0.00 C ATOM 833 C GLY A 147 10.844 -2.776 -4.718 1.00 0.00 C ATOM 834 O GLY A 147 10.293 -2.585 -5.801 1.00 0.00 O ATOM 0 H GLY A 147 12.865 -2.090 -2.386 1.00 0.00 H new ATOM 0 HA2 GLY A 147 11.716 -0.975 -3.955 1.00 0.00 H new ATOM 0 HA3 GLY A 147 12.678 -1.773 -5.184 1.00 0.00 H new ATOM 838 N GLN A 148 10.430 -3.694 -3.846 1.00 0.00 N ATOM 839 CA GLN A 148 9.276 -4.548 -4.119 1.00 0.00 C ATOM 840 C GLN A 148 8.450 -4.763 -2.852 1.00 0.00 C ATOM 841 O GLN A 148 8.980 -5.171 -1.820 1.00 0.00 O ATOM 842 CB GLN A 148 9.733 -5.898 -4.679 1.00 0.00 C ATOM 843 CG GLN A 148 8.585 -6.834 -5.024 1.00 0.00 C ATOM 844 CD GLN A 148 9.061 -8.160 -5.585 1.00 0.00 C ATOM 845 OE1 GLN A 148 9.787 -8.903 -4.923 1.00 0.00 O ATOM 846 NE2 GLN A 148 8.654 -8.464 -6.812 1.00 0.00 N ATOM 0 H GLN A 148 10.876 -3.865 -2.945 1.00 0.00 H new ATOM 0 HA GLN A 148 8.652 -4.049 -4.860 1.00 0.00 H new ATOM 0 HB2 GLN A 148 10.332 -5.727 -5.573 1.00 0.00 H new ATOM 0 HB3 GLN A 148 10.380 -6.384 -3.949 1.00 0.00 H new ATOM 0 HG2 GLN A 148 7.988 -7.015 -4.130 1.00 0.00 H new ATOM 0 HG3 GLN A 148 7.932 -6.350 -5.750 1.00 0.00 H new ATOM 0 HE21 GLN A 148 8.053 -7.819 -7.324 1.00 0.00 H new ATOM 0 HE22 GLN A 148 8.943 -9.343 -7.242 1.00 0.00 H new ATOM 855 N TRP A 149 7.152 -4.488 -2.937 1.00 0.00 N ATOM 856 CA TRP A 149 6.263 -4.650 -1.790 1.00 0.00 C ATOM 857 C TRP A 149 6.019 -6.122 -1.480 1.00 0.00 C ATOM 858 O TRP A 149 5.850 -6.940 -2.385 1.00 0.00 O ATOM 859 CB TRP A 149 4.931 -3.942 -2.035 1.00 0.00 C ATOM 860 CG TRP A 149 5.090 -2.508 -2.433 1.00 0.00 C ATOM 861 CD1 TRP A 149 5.230 -2.019 -3.699 1.00 0.00 C ATOM 862 CD2 TRP A 149 5.159 -1.381 -1.556 1.00 0.00 C ATOM 863 NE1 TRP A 149 5.357 -0.652 -3.664 1.00 0.00 N ATOM 864 CE2 TRP A 149 5.321 -0.237 -2.360 1.00 0.00 C ATOM 865 CE3 TRP A 149 5.094 -1.226 -0.170 1.00 0.00 C ATOM 866 CZ2 TRP A 149 5.418 1.043 -1.822 1.00 0.00 C ATOM 867 CZ3 TRP A 149 5.192 0.044 0.363 1.00 0.00 C ATOM 868 CH2 TRP A 149 5.352 1.165 -0.462 1.00 0.00 C ATOM 0 H TRP A 149 6.693 -4.153 -3.784 1.00 0.00 H new ATOM 0 HA TRP A 149 6.753 -4.196 -0.929 1.00 0.00 H new ATOM 0 HB2 TRP A 149 4.384 -4.471 -2.816 1.00 0.00 H new ATOM 0 HB3 TRP A 149 4.326 -3.996 -1.130 1.00 0.00 H new ATOM 0 HD1 TRP A 149 5.240 -2.619 -4.597 1.00 0.00 H new ATOM 0 HE1 TRP A 149 5.461 -0.045 -4.477 1.00 0.00 H new ATOM 0 HE3 TRP A 149 4.969 -2.084 0.474 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 5.541 1.909 -2.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 5.145 0.175 1.434 1.00 0.00 H new ATOM 0 HH2 TRP A 149 5.425 2.145 -0.015 1.00 0.00 H new ATOM 879 N SER A 150 6.005 -6.451 -0.192 1.00 0.00 N ATOM 880 CA SER A 150 5.787 -7.822 0.252 1.00 0.00 C ATOM 881 C SER A 150 4.459 -8.371 -0.267 1.00 0.00 C ATOM 882 O SER A 150 4.435 -9.346 -1.018 1.00 0.00 O ATOM 883 CB SER A 150 5.812 -7.893 1.780 1.00 0.00 C ATOM 884 OG SER A 150 5.590 -9.216 2.233 1.00 0.00 O ATOM 0 H SER A 150 6.143 -5.782 0.566 1.00 0.00 H new ATOM 0 HA SER A 150 6.592 -8.434 -0.154 1.00 0.00 H new ATOM 0 HB2 SER A 150 6.774 -7.536 2.148 1.00 0.00 H new ATOM 0 HB3 SER A 150 5.049 -7.232 2.190 1.00 0.00 H new ATOM 0 HG SER A 150 5.613 -9.234 3.213 1.00 0.00 H new ATOM 890 N THR A 151 3.357 -7.748 0.144 1.00 0.00 N ATOM 891 CA THR A 151 2.033 -8.192 -0.276 1.00 0.00 C ATOM 892 C THR A 151 1.530 -7.407 -1.490 1.00 0.00 C ATOM 893 O THR A 151 1.671 -6.186 -1.551 1.00 0.00 O ATOM 894 CB THR A 151 1.013 -8.054 0.866 1.00 0.00 C ATOM 895 OG1 THR A 151 0.853 -6.675 1.214 1.00 0.00 O ATOM 896 CG2 THR A 151 1.461 -8.841 2.088 1.00 0.00 C ATOM 0 H THR A 151 3.355 -6.938 0.764 1.00 0.00 H new ATOM 0 HA THR A 151 2.130 -9.242 -0.551 1.00 0.00 H new ATOM 0 HB THR A 151 0.059 -8.456 0.524 1.00 0.00 H new ATOM 0 HG1 THR A 151 0.307 -6.603 2.025 1.00 0.00 H new ATOM 0 HG21 THR A 151 0.724 -8.729 2.883 1.00 0.00 H new ATOM 0 HG22 THR A 151 1.556 -9.895 1.827 1.00 0.00 H new ATOM 0 HG23 THR A 151 2.425 -8.464 2.430 1.00 0.00 H new ATOM 904 N PRO A 152 0.926 -8.103 -2.473 1.00 0.00 N ATOM 905 CA PRO A 152 0.391 -7.469 -3.688 1.00 0.00 C ATOM 906 C PRO A 152 -0.813 -6.576 -3.397 1.00 0.00 C ATOM 907 O PRO A 152 -1.662 -6.916 -2.576 1.00 0.00 O ATOM 908 CB PRO A 152 -0.025 -8.656 -4.560 1.00 0.00 C ATOM 909 CG PRO A 152 -0.270 -9.766 -3.597 1.00 0.00 C ATOM 910 CD PRO A 152 0.709 -9.563 -2.476 1.00 0.00 C ATOM 0 HA PRO A 152 1.125 -6.814 -4.158 1.00 0.00 H new ATOM 0 HB2 PRO A 152 -0.921 -8.428 -5.138 1.00 0.00 H new ATOM 0 HB3 PRO A 152 0.757 -8.916 -5.274 1.00 0.00 H new ATOM 0 HG2 PRO A 152 -1.296 -9.744 -3.229 1.00 0.00 H new ATOM 0 HG3 PRO A 152 -0.123 -10.735 -4.073 1.00 0.00 H new ATOM 0 HD2 PRO A 152 0.308 -9.912 -1.524 1.00 0.00 H new ATOM 0 HD3 PRO A 152 1.637 -10.107 -2.650 1.00 0.00 H new ATOM 918 N LYS A 153 -0.877 -5.432 -4.072 1.00 0.00 N ATOM 919 CA LYS A 153 -1.976 -4.487 -3.883 1.00 0.00 C ATOM 920 C LYS A 153 -3.333 -5.168 -4.076 1.00 0.00 C ATOM 921 O LYS A 153 -3.611 -5.724 -5.139 1.00 0.00 O ATOM 922 CB LYS A 153 -1.828 -3.316 -4.857 1.00 0.00 C ATOM 923 CG LYS A 153 -2.934 -2.279 -4.751 1.00 0.00 C ATOM 924 CD LYS A 153 -2.656 -1.079 -5.643 1.00 0.00 C ATOM 925 CE LYS A 153 -3.776 -0.055 -5.568 1.00 0.00 C ATOM 926 NZ LYS A 153 -5.052 -0.588 -6.118 1.00 0.00 N ATOM 0 H LYS A 153 -0.181 -5.136 -4.756 1.00 0.00 H new ATOM 0 HA LYS A 153 -1.932 -4.113 -2.860 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -0.869 -2.829 -4.680 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -1.805 -3.705 -5.875 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -3.886 -2.730 -5.031 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -3.029 -1.951 -3.716 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -1.716 -0.614 -5.345 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -2.535 -1.412 -6.674 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -3.925 0.245 -4.531 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -3.488 0.839 -6.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -5.610 0.192 -6.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -4.845 -1.285 -6.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -5.594 -1.045 -5.357 1.00 0.00 H new ATOM 940 N PRO A 154 -4.195 -5.136 -3.040 1.00 0.00 N ATOM 941 CA PRO A 154 -5.524 -5.754 -3.092 1.00 0.00 C ATOM 942 C PRO A 154 -6.561 -4.878 -3.794 1.00 0.00 C ATOM 943 O PRO A 154 -6.235 -4.133 -4.719 1.00 0.00 O ATOM 944 CB PRO A 154 -5.874 -5.917 -1.615 1.00 0.00 C ATOM 945 CG PRO A 154 -5.193 -4.774 -0.943 1.00 0.00 C ATOM 946 CD PRO A 154 -3.938 -4.499 -1.733 1.00 0.00 C ATOM 0 HA PRO A 154 -5.522 -6.684 -3.661 1.00 0.00 H new ATOM 0 HB2 PRO A 154 -6.952 -5.886 -1.457 1.00 0.00 H new ATOM 0 HB3 PRO A 154 -5.522 -6.873 -1.227 1.00 0.00 H new ATOM 0 HG2 PRO A 154 -5.838 -3.896 -0.922 1.00 0.00 H new ATOM 0 HG3 PRO A 154 -4.954 -5.019 0.092 1.00 0.00 H new ATOM 0 HD2 PRO A 154 -3.759 -3.429 -1.838 1.00 0.00 H new ATOM 0 HD3 PRO A 154 -3.059 -4.923 -1.248 1.00 0.00 H new ATOM 954 N HIS A 155 -7.814 -4.976 -3.348 1.00 0.00 N ATOM 955 CA HIS A 155 -8.902 -4.196 -3.931 1.00 0.00 C ATOM 956 C HIS A 155 -10.022 -3.970 -2.918 1.00 0.00 C ATOM 957 O HIS A 155 -10.314 -4.840 -2.097 1.00 0.00 O ATOM 958 CB HIS A 155 -9.452 -4.898 -5.174 1.00 0.00 C ATOM 959 CG HIS A 155 -9.976 -6.275 -4.906 1.00 0.00 C ATOM 960 ND1 HIS A 155 -9.194 -7.292 -4.399 1.00 0.00 N ATOM 961 CD2 HIS A 155 -11.212 -6.801 -5.077 1.00 0.00 C ATOM 962 CE1 HIS A 155 -9.927 -8.385 -4.272 1.00 0.00 C ATOM 963 NE2 HIS A 155 -11.154 -8.113 -4.675 1.00 0.00 N ATOM 0 H HIS A 155 -8.099 -5.589 -2.584 1.00 0.00 H new ATOM 0 HA HIS A 155 -8.502 -3.224 -4.219 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -10.251 -4.291 -5.599 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -8.664 -4.959 -5.925 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -12.081 -6.285 -5.458 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -9.581 -9.338 -3.901 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -11.933 -8.771 -4.686 1.00 0.00 H new ATOM 972 N CYS A 156 -10.651 -2.798 -2.986 1.00 0.00 N ATOM 973 CA CYS A 156 -11.745 -2.459 -2.077 1.00 0.00 C ATOM 974 C CYS A 156 -13.096 -2.695 -2.740 1.00 0.00 C ATOM 975 O CYS A 156 -13.266 -2.451 -3.934 1.00 0.00 O ATOM 976 CB CYS A 156 -11.634 -1.001 -1.625 1.00 0.00 C ATOM 977 SG CYS A 156 -10.291 -0.690 -0.436 1.00 0.00 S ATOM 0 H CYS A 156 -10.422 -2.068 -3.660 1.00 0.00 H new ATOM 0 HA CYS A 156 -11.669 -3.108 -1.204 1.00 0.00 H new ATOM 0 HB2 CYS A 156 -11.482 -0.371 -2.501 1.00 0.00 H new ATOM 0 HB3 CYS A 156 -12.580 -0.698 -1.175 1.00 0.00 H new ATOM 982 N GLN A 157 -14.056 -3.174 -1.955 1.00 0.00 N ATOM 983 CA GLN A 157 -15.394 -3.450 -2.464 1.00 0.00 C ATOM 984 C GLN A 157 -16.458 -2.893 -1.523 1.00 0.00 C ATOM 985 O GLN A 157 -16.328 -2.979 -0.303 1.00 0.00 O ATOM 986 CB GLN A 157 -15.589 -4.956 -2.648 1.00 0.00 C ATOM 987 CG GLN A 157 -16.952 -5.335 -3.205 1.00 0.00 C ATOM 988 CD GLN A 157 -17.102 -6.829 -3.444 1.00 0.00 C ATOM 989 OE1 GLN A 157 -16.052 -7.592 -3.155 1.00 0.00 O flip ATOM 990 NE2 GLN A 157 -18.153 -7.292 -3.886 1.00 0.00 N flip ATOM 0 H GLN A 157 -13.932 -3.379 -0.964 1.00 0.00 H new ATOM 0 HA GLN A 157 -15.500 -2.958 -3.431 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -14.816 -5.334 -3.317 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -15.449 -5.451 -1.687 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -17.726 -5.004 -2.513 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -17.115 -4.804 -4.143 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -18.935 -6.672 -4.095 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -18.242 -8.296 -4.043 1.00 0.00 H new ATOM 999 N VAL A 158 -17.505 -2.313 -2.103 1.00 0.00 N ATOM 1000 CA VAL A 158 -18.592 -1.731 -1.323 1.00 0.00 C ATOM 1001 C VAL A 158 -19.246 -2.768 -0.414 1.00 0.00 C ATOM 1002 O VAL A 158 -19.470 -3.911 -0.816 1.00 0.00 O ATOM 1003 CB VAL A 158 -19.667 -1.109 -2.238 1.00 0.00 C ATOM 1004 CG1 VAL A 158 -20.241 -2.156 -3.181 1.00 0.00 C ATOM 1005 CG2 VAL A 158 -20.770 -0.466 -1.409 1.00 0.00 C ATOM 0 H VAL A 158 -17.623 -2.234 -3.113 1.00 0.00 H new ATOM 0 HA VAL A 158 -18.151 -0.948 -0.706 1.00 0.00 H new ATOM 0 HB VAL A 158 -19.196 -0.332 -2.840 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -20.997 -1.697 -3.818 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -19.443 -2.563 -3.802 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -20.695 -2.959 -2.600 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -21.518 -0.033 -2.073 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -21.238 -1.221 -0.778 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -20.344 0.317 -0.782 1.00 0.00 H new ATOM 1015 N ASN A 159 -19.549 -2.359 0.816 1.00 0.00 N ATOM 1016 CA ASN A 159 -20.179 -3.246 1.789 1.00 0.00 C ATOM 1017 C ASN A 159 -21.518 -3.759 1.270 1.00 0.00 C ATOM 1018 O ASN A 159 -22.129 -3.070 0.427 1.00 0.00 O ATOM 1019 CB ASN A 159 -20.382 -2.515 3.118 1.00 0.00 C ATOM 1020 CG ASN A 159 -19.075 -2.077 3.747 1.00 0.00 C ATOM 1021 OD1 ASN A 159 -18.219 -2.901 4.069 1.00 0.00 O ATOM 1022 ND2 ASN A 159 -18.912 -0.770 3.925 1.00 0.00 N ATOM 1023 OXT ASN A 159 -21.945 -4.847 1.713 1.00 0.00 O ATOM 0 H ASN A 159 -19.368 -1.417 1.162 1.00 0.00 H new ATOM 0 HA ASN A 159 -19.519 -4.099 1.947 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -21.013 -1.642 2.955 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -20.913 -3.168 3.810 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -18.052 -0.416 4.343 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -19.647 -0.121 3.644 1.00 0.00 H new