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 155 HIS : no HE2:sc= -0.331 K(o=-0.11,f=-4.7) USER MOD Set 1.2: A 157 GLN :FLIP amide:sc= 0.218 F(o=-1.4!,f=-0.11) USER MOD Set 2.1: A 100 SER OG : rot -99:sc= 1.24 USER MOD Set 2.2: A 102 SER OG : rot 180:sc= 0.422 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 TYR OH : rot -90:sc= -0.576 USER MOD Single : A 105 THR OG1 : rot -9:sc= 0.815 USER MOD Single : A 108 ASN : amide:sc= -3.28! C(o=-3.3!,f=-3.5!) USER MOD Single : A 110 LYS NZ :NH3+ 165:sc= -0.056 (180deg=-0.301) USER MOD Single : A 114 THR OG1 : rot -22:sc= 0.488 USER MOD Single : A 135 HIS : no HD1:sc= -0.713 K(o=-0.71,f=-5.1!) USER MOD Single : A 139 SER OG : rot -62:sc= -2.09! USER MOD Single : A 140 SER OG : rot 180:sc=-0.00748 USER MOD Single : A 142 SER OG : rot -139:sc= -2.19! USER MOD Single : A 145 SER OG : rot -58:sc= 0.552 USER MOD Single : A 146 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 148 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 151 THR OG1 : rot 180:sc= -0.236 USER MOD Single : A 153 LYS NZ :NH3+ -164:sc= -0.0587 (180deg=-0.318) USER MOD Single : A 159 ASN :FLIP amide:sc= -0.115 F(o=-0.68,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 103 N ILE A 98 13.065 2.125 -5.290 1.00 0.00 N ATOM 104 CA ILE A 98 11.823 2.405 -4.599 1.00 0.00 C ATOM 105 C ILE A 98 10.690 1.538 -5.134 1.00 0.00 C ATOM 106 O ILE A 98 10.514 1.405 -6.346 1.00 0.00 O ATOM 107 CB ILE A 98 11.426 3.892 -4.727 1.00 0.00 C ATOM 108 CG1 ILE A 98 11.266 4.292 -6.201 1.00 0.00 C ATOM 109 CG2 ILE A 98 12.452 4.781 -4.039 1.00 0.00 C ATOM 110 CD1 ILE A 98 12.544 4.234 -7.013 1.00 0.00 C ATOM 0 HA ILE A 98 11.988 2.173 -3.547 1.00 0.00 H new ATOM 0 HB ILE A 98 10.464 4.030 -4.233 1.00 0.00 H new ATOM 0 HG12 ILE A 98 10.527 3.637 -6.663 1.00 0.00 H new ATOM 0 HG13 ILE A 98 10.867 5.305 -6.248 1.00 0.00 H new ATOM 0 HG21 ILE A 98 12.155 5.825 -4.140 1.00 0.00 H new ATOM 0 HG22 ILE A 98 12.509 4.520 -2.982 1.00 0.00 H new ATOM 0 HG23 ILE A 98 13.428 4.635 -4.502 1.00 0.00 H new ATOM 0 HD11 ILE A 98 12.336 4.532 -8.041 1.00 0.00 H new ATOM 0 HD12 ILE A 98 13.281 4.911 -6.581 1.00 0.00 H new ATOM 0 HD13 ILE A 98 12.936 3.217 -7.003 1.00 0.00 H new ATOM 122 N CYS A 99 9.925 0.950 -4.222 1.00 0.00 N ATOM 123 CA CYS A 99 8.805 0.096 -4.596 1.00 0.00 C ATOM 124 C CYS A 99 7.815 0.853 -5.482 1.00 0.00 C ATOM 125 O CYS A 99 7.601 2.052 -5.305 1.00 0.00 O ATOM 126 CB CYS A 99 8.112 -0.447 -3.345 1.00 0.00 C ATOM 127 SG CYS A 99 9.001 -1.820 -2.539 1.00 0.00 S ATOM 0 H CYS A 99 10.061 1.050 -3.216 1.00 0.00 H new ATOM 0 HA CYS A 99 9.190 -0.747 -5.170 1.00 0.00 H new ATOM 0 HB2 CYS A 99 7.992 0.365 -2.628 1.00 0.00 H new ATOM 0 HB3 CYS A 99 7.111 -0.785 -3.615 1.00 0.00 H new ATOM 132 N SER A 100 7.234 0.140 -6.449 1.00 0.00 N ATOM 133 CA SER A 100 6.280 0.726 -7.393 1.00 0.00 C ATOM 134 C SER A 100 5.334 1.714 -6.714 1.00 0.00 C ATOM 135 O SER A 100 4.710 1.401 -5.702 1.00 0.00 O ATOM 136 CB SER A 100 5.469 -0.378 -8.076 1.00 0.00 C ATOM 137 OG SER A 100 4.538 0.164 -8.994 1.00 0.00 O ATOM 0 H SER A 100 7.410 -0.853 -6.599 1.00 0.00 H new ATOM 0 HA SER A 100 6.856 1.275 -8.137 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.143 -1.059 -8.596 1.00 0.00 H new ATOM 0 HB3 SER A 100 4.942 -0.964 -7.323 1.00 0.00 H new ATOM 0 HG SER A 100 3.652 0.203 -8.577 1.00 0.00 H new ATOM 143 N LYS A 101 5.238 2.911 -7.284 1.00 0.00 N ATOM 144 CA LYS A 101 4.373 3.958 -6.744 1.00 0.00 C ATOM 145 C LYS A 101 2.899 3.648 -6.998 1.00 0.00 C ATOM 146 O LYS A 101 2.016 4.274 -6.410 1.00 0.00 O ATOM 147 CB LYS A 101 4.730 5.323 -7.349 1.00 0.00 C ATOM 148 CG LYS A 101 4.392 5.464 -8.829 1.00 0.00 C ATOM 149 CD LYS A 101 5.275 4.590 -9.709 1.00 0.00 C ATOM 150 CE LYS A 101 6.741 4.978 -9.594 1.00 0.00 C ATOM 151 NZ LYS A 101 7.608 4.140 -10.467 1.00 0.00 N ATOM 0 H LYS A 101 5.750 3.182 -8.123 1.00 0.00 H new ATOM 0 HA LYS A 101 4.536 3.993 -5.667 1.00 0.00 H new ATOM 0 HB2 LYS A 101 4.206 6.101 -6.794 1.00 0.00 H new ATOM 0 HB3 LYS A 101 5.797 5.499 -7.214 1.00 0.00 H new ATOM 0 HG2 LYS A 101 3.347 5.197 -8.988 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.504 6.506 -9.127 1.00 0.00 H new ATOM 0 HD2 LYS A 101 5.152 3.545 -9.425 1.00 0.00 H new ATOM 0 HD3 LYS A 101 4.955 4.678 -10.747 1.00 0.00 H new ATOM 0 HE2 LYS A 101 6.861 6.027 -9.863 1.00 0.00 H new ATOM 0 HE3 LYS A 101 7.063 4.876 -8.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 8.599 4.436 -10.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 7.514 3.141 -10.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 7.318 4.256 -11.459 1.00 0.00 H new ATOM 165 N SER A 102 2.639 2.692 -7.885 1.00 0.00 N ATOM 166 CA SER A 102 1.269 2.311 -8.228 1.00 0.00 C ATOM 167 C SER A 102 0.452 1.975 -6.982 1.00 0.00 C ATOM 168 O SER A 102 -0.680 2.434 -6.831 1.00 0.00 O ATOM 169 CB SER A 102 1.277 1.115 -9.180 1.00 0.00 C ATOM 170 OG SER A 102 1.903 -0.008 -8.585 1.00 0.00 O ATOM 0 H SER A 102 3.358 2.165 -8.381 1.00 0.00 H new ATOM 0 HA SER A 102 0.801 3.164 -8.720 1.00 0.00 H new ATOM 0 HB2 SER A 102 0.254 0.860 -9.457 1.00 0.00 H new ATOM 0 HB3 SER A 102 1.799 1.382 -10.099 1.00 0.00 H new ATOM 0 HG SER A 102 1.894 -0.759 -9.214 1.00 0.00 H new ATOM 176 N TYR A 103 1.028 1.168 -6.096 1.00 0.00 N ATOM 177 CA TYR A 103 0.348 0.768 -4.865 1.00 0.00 C ATOM 178 C TYR A 103 -0.012 1.981 -4.013 1.00 0.00 C ATOM 179 O TYR A 103 -1.097 2.044 -3.435 1.00 0.00 O ATOM 180 CB TYR A 103 1.227 -0.187 -4.052 1.00 0.00 C ATOM 181 CG TYR A 103 1.391 -1.563 -4.666 1.00 0.00 C ATOM 182 CD1 TYR A 103 1.609 -1.725 -6.030 1.00 0.00 C ATOM 183 CD2 TYR A 103 1.329 -2.702 -3.873 1.00 0.00 C ATOM 184 CE1 TYR A 103 1.759 -2.983 -6.583 1.00 0.00 C ATOM 185 CE2 TYR A 103 1.481 -3.962 -4.419 1.00 0.00 C ATOM 186 CZ TYR A 103 1.696 -4.097 -5.773 1.00 0.00 C ATOM 187 OH TYR A 103 1.846 -5.351 -6.320 1.00 0.00 O ATOM 0 H TYR A 103 1.964 0.777 -6.206 1.00 0.00 H new ATOM 0 HA TYR A 103 -0.572 0.258 -5.149 1.00 0.00 H new ATOM 0 HB2 TYR A 103 2.212 0.262 -3.928 1.00 0.00 H new ATOM 0 HB3 TYR A 103 0.799 -0.296 -3.055 1.00 0.00 H new ATOM 0 HD1 TYR A 103 1.662 -0.854 -6.667 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.159 -2.601 -2.811 1.00 0.00 H new ATOM 0 HE1 TYR A 103 1.925 -3.093 -7.645 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.432 -4.837 -3.787 1.00 0.00 H new ATOM 0 HH TYR A 103 0.969 -5.698 -6.587 1.00 0.00 H new ATOM 197 N LEU A 104 0.909 2.936 -3.934 1.00 0.00 N ATOM 198 CA LEU A 104 0.700 4.147 -3.146 1.00 0.00 C ATOM 199 C LEU A 104 -0.621 4.820 -3.507 1.00 0.00 C ATOM 200 O LEU A 104 -1.303 5.371 -2.643 1.00 0.00 O ATOM 201 CB LEU A 104 1.859 5.123 -3.361 1.00 0.00 C ATOM 202 CG LEU A 104 3.245 4.576 -3.005 1.00 0.00 C ATOM 203 CD1 LEU A 104 4.318 5.613 -3.302 1.00 0.00 C ATOM 204 CD2 LEU A 104 3.297 4.157 -1.544 1.00 0.00 C ATOM 0 H LEU A 104 1.811 2.895 -4.408 1.00 0.00 H new ATOM 0 HA LEU A 104 0.660 3.861 -2.095 1.00 0.00 H new ATOM 0 HB2 LEU A 104 1.865 5.431 -4.407 1.00 0.00 H new ATOM 0 HB3 LEU A 104 1.675 6.018 -2.766 1.00 0.00 H new ATOM 0 HG LEU A 104 3.436 3.696 -3.620 1.00 0.00 H new ATOM 0 HD11 LEU A 104 5.297 5.208 -3.043 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.298 5.864 -4.363 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.129 6.511 -2.713 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.290 3.771 -1.311 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.085 5.018 -0.911 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.554 3.381 -1.362 1.00 0.00 H new ATOM 216 N THR A 105 -0.972 4.780 -4.787 1.00 0.00 N ATOM 217 CA THR A 105 -2.208 5.393 -5.259 1.00 0.00 C ATOM 218 C THR A 105 -3.362 4.394 -5.271 1.00 0.00 C ATOM 219 O THR A 105 -3.183 3.225 -5.612 1.00 0.00 O ATOM 220 CB THR A 105 -2.036 5.980 -6.672 1.00 0.00 C ATOM 221 OG1 THR A 105 -1.675 4.945 -7.593 1.00 0.00 O ATOM 222 CG2 THR A 105 -0.971 7.066 -6.677 1.00 0.00 C ATOM 0 H THR A 105 -0.419 4.330 -5.516 1.00 0.00 H new ATOM 0 HA THR A 105 -2.444 6.197 -4.562 1.00 0.00 H new ATOM 0 HB THR A 105 -2.985 6.420 -6.978 1.00 0.00 H new ATOM 0 HG1 THR A 105 -1.476 4.122 -7.099 1.00 0.00 H new ATOM 0 HG21 THR A 105 -0.865 7.467 -7.685 1.00 0.00 H new ATOM 0 HG22 THR A 105 -1.264 7.866 -5.997 1.00 0.00 H new ATOM 0 HG23 THR A 105 -0.020 6.644 -6.353 1.00 0.00 H new ATOM 230 N LEU A 106 -4.548 4.869 -4.898 1.00 0.00 N ATOM 231 CA LEU A 106 -5.741 4.030 -4.865 1.00 0.00 C ATOM 232 C LEU A 106 -6.944 4.832 -5.363 1.00 0.00 C ATOM 233 O LEU A 106 -7.272 5.880 -4.806 1.00 0.00 O ATOM 234 CB LEU A 106 -5.984 3.531 -3.432 1.00 0.00 C ATOM 235 CG LEU A 106 -6.762 2.216 -3.299 1.00 0.00 C ATOM 236 CD1 LEU A 106 -6.948 1.861 -1.832 1.00 0.00 C ATOM 237 CD2 LEU A 106 -8.107 2.297 -4.002 1.00 0.00 C ATOM 0 H LEU A 106 -4.708 5.835 -4.613 1.00 0.00 H new ATOM 0 HA LEU A 106 -5.599 3.167 -5.516 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -5.018 3.409 -2.943 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -6.523 4.305 -2.886 1.00 0.00 H new ATOM 0 HG LEU A 106 -6.181 1.430 -3.781 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.502 0.926 -1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -5.973 1.747 -1.359 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -7.503 2.655 -1.333 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -8.634 1.350 -3.889 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -8.701 3.097 -3.560 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -7.952 2.502 -5.061 1.00 0.00 H new ATOM 249 N GLU A 107 -7.583 4.349 -6.427 1.00 0.00 N ATOM 250 CA GLU A 107 -8.731 5.043 -7.010 1.00 0.00 C ATOM 251 C GLU A 107 -10.019 4.725 -6.269 1.00 0.00 C ATOM 252 O GLU A 107 -11.100 4.747 -6.856 1.00 0.00 O ATOM 253 CB GLU A 107 -8.885 4.665 -8.482 1.00 0.00 C ATOM 254 CG GLU A 107 -7.599 4.776 -9.278 1.00 0.00 C ATOM 255 CD GLU A 107 -7.070 6.196 -9.356 1.00 0.00 C ATOM 256 OE1 GLU A 107 -6.747 6.772 -8.295 1.00 0.00 O ATOM 257 OE2 GLU A 107 -6.976 6.733 -10.480 1.00 0.00 O ATOM 0 H GLU A 107 -7.327 3.483 -6.902 1.00 0.00 H new ATOM 0 HA GLU A 107 -8.543 6.113 -6.921 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -9.256 3.642 -8.548 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -9.639 5.308 -8.936 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -6.842 4.136 -8.825 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -7.770 4.402 -10.287 1.00 0.00 H new ATOM 264 N ASN A 108 -9.898 4.453 -4.979 1.00 0.00 N ATOM 265 CA ASN A 108 -11.048 4.140 -4.141 1.00 0.00 C ATOM 266 C ASN A 108 -10.669 4.208 -2.665 1.00 0.00 C ATOM 267 O ASN A 108 -11.291 3.560 -1.821 1.00 0.00 O ATOM 268 CB ASN A 108 -11.601 2.744 -4.462 1.00 0.00 C ATOM 269 CG ASN A 108 -12.221 2.653 -5.841 1.00 0.00 C ATOM 270 OD1 ASN A 108 -13.236 3.290 -6.121 1.00 0.00 O ATOM 271 ND2 ASN A 108 -11.603 1.867 -6.716 1.00 0.00 N ATOM 0 H ASN A 108 -9.006 4.443 -4.484 1.00 0.00 H new ATOM 0 HA ASN A 108 -11.820 4.880 -4.350 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -10.796 2.014 -4.383 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -12.349 2.475 -3.716 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -11.968 1.773 -7.664 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -10.764 1.357 -6.440 1.00 0.00 H new ATOM 278 N GLY A 109 -9.647 4.999 -2.362 1.00 0.00 N ATOM 279 CA GLY A 109 -9.202 5.137 -0.989 1.00 0.00 C ATOM 280 C GLY A 109 -7.943 5.967 -0.865 1.00 0.00 C ATOM 281 O GLY A 109 -7.633 6.780 -1.735 1.00 0.00 O ATOM 0 H GLY A 109 -9.119 5.547 -3.042 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -9.995 5.596 -0.399 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -9.023 4.148 -0.568 1.00 0.00 H new ATOM 285 N LYS A 110 -7.218 5.754 0.224 1.00 0.00 N ATOM 286 CA LYS A 110 -5.977 6.475 0.479 1.00 0.00 C ATOM 287 C LYS A 110 -4.944 5.554 1.116 1.00 0.00 C ATOM 288 O LYS A 110 -5.255 4.812 2.047 1.00 0.00 O ATOM 289 CB LYS A 110 -6.236 7.677 1.389 1.00 0.00 C ATOM 290 CG LYS A 110 -7.198 8.695 0.796 1.00 0.00 C ATOM 291 CD LYS A 110 -7.454 9.847 1.754 1.00 0.00 C ATOM 292 CE LYS A 110 -8.408 10.866 1.154 1.00 0.00 C ATOM 293 NZ LYS A 110 -9.723 10.259 0.807 1.00 0.00 N ATOM 0 H LYS A 110 -7.469 5.083 0.950 1.00 0.00 H new ATOM 0 HA LYS A 110 -5.587 6.832 -0.474 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -6.636 7.323 2.339 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.288 8.169 1.605 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.790 9.081 -0.138 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -8.142 8.206 0.553 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -7.869 9.462 2.685 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -6.510 10.332 2.002 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -8.560 11.681 1.861 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -7.961 11.299 0.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -10.421 11.013 0.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -9.624 9.686 -0.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -10.044 9.654 1.590 1.00 0.00 H new ATOM 307 N VAL A 111 -3.716 5.604 0.611 1.00 0.00 N ATOM 308 CA VAL A 111 -2.648 4.768 1.141 1.00 0.00 C ATOM 309 C VAL A 111 -1.662 5.594 1.960 1.00 0.00 C ATOM 310 O VAL A 111 -1.056 6.540 1.455 1.00 0.00 O ATOM 311 CB VAL A 111 -1.886 4.045 0.013 1.00 0.00 C ATOM 312 CG1 VAL A 111 -0.747 3.214 0.582 1.00 0.00 C ATOM 313 CG2 VAL A 111 -2.835 3.175 -0.798 1.00 0.00 C ATOM 0 H VAL A 111 -3.438 6.211 -0.160 1.00 0.00 H new ATOM 0 HA VAL A 111 -3.117 4.023 1.784 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.459 4.797 -0.651 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -0.222 2.712 -0.230 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.053 3.864 1.115 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -1.148 2.469 1.270 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -2.280 2.672 -1.590 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -3.293 2.431 -0.146 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -3.613 3.798 -1.239 1.00 0.00 H new ATOM 323 N PHE A 112 -1.507 5.226 3.228 1.00 0.00 N ATOM 324 CA PHE A 112 -0.596 5.924 4.124 1.00 0.00 C ATOM 325 C PHE A 112 0.850 5.561 3.802 1.00 0.00 C ATOM 326 O PHE A 112 1.252 4.405 3.929 1.00 0.00 O ATOM 327 CB PHE A 112 -0.918 5.573 5.581 1.00 0.00 C ATOM 328 CG PHE A 112 -2.314 5.943 6.005 1.00 0.00 C ATOM 329 CD1 PHE A 112 -3.419 5.379 5.384 1.00 0.00 C ATOM 330 CD2 PHE A 112 -2.522 6.860 7.024 1.00 0.00 C ATOM 331 CE1 PHE A 112 -4.700 5.719 5.771 1.00 0.00 C ATOM 332 CE2 PHE A 112 -3.802 7.204 7.416 1.00 0.00 C ATOM 333 CZ PHE A 112 -4.893 6.634 6.788 1.00 0.00 C ATOM 0 H PHE A 112 -2.003 4.445 3.658 1.00 0.00 H new ATOM 0 HA PHE A 112 -0.723 6.997 3.983 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -0.777 4.502 5.726 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -0.205 6.079 6.232 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -3.275 4.664 4.587 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -1.674 7.311 7.517 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -5.550 5.270 5.279 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -3.949 7.918 8.213 1.00 0.00 H new ATOM 0 HZ PHE A 112 -5.894 6.903 7.091 1.00 0.00 H new ATOM 343 N LEU A 113 1.627 6.553 3.379 1.00 0.00 N ATOM 344 CA LEU A 113 3.027 6.334 3.032 1.00 0.00 C ATOM 345 C LEU A 113 3.919 6.365 4.269 1.00 0.00 C ATOM 346 O LEU A 113 3.699 7.154 5.188 1.00 0.00 O ATOM 347 CB LEU A 113 3.501 7.380 2.021 1.00 0.00 C ATOM 348 CG LEU A 113 4.960 7.236 1.579 1.00 0.00 C ATOM 349 CD1 LEU A 113 5.206 5.858 0.981 1.00 0.00 C ATOM 350 CD2 LEU A 113 5.327 8.325 0.582 1.00 0.00 C ATOM 0 H LEU A 113 1.311 7.516 3.268 1.00 0.00 H new ATOM 0 HA LEU A 113 3.102 5.344 2.582 1.00 0.00 H new ATOM 0 HB2 LEU A 113 2.863 7.327 1.139 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.364 8.371 2.454 1.00 0.00 H new ATOM 0 HG LEU A 113 5.596 7.346 2.457 1.00 0.00 H new ATOM 0 HD11 LEU A 113 6.248 5.776 0.673 1.00 0.00 H new ATOM 0 HD12 LEU A 113 4.986 5.093 1.726 1.00 0.00 H new ATOM 0 HD13 LEU A 113 4.560 5.717 0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.367 8.206 0.280 1.00 0.00 H new ATOM 0 HD22 LEU A 113 4.683 8.248 -0.294 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.193 9.303 1.045 1.00 0.00 H new ATOM 362 N THR A 114 4.931 5.502 4.276 1.00 0.00 N ATOM 363 CA THR A 114 5.872 5.418 5.388 1.00 0.00 C ATOM 364 C THR A 114 7.133 4.666 4.963 1.00 0.00 C ATOM 365 O THR A 114 7.459 3.613 5.513 1.00 0.00 O ATOM 366 CB THR A 114 5.246 4.714 6.612 1.00 0.00 C ATOM 367 OG1 THR A 114 4.008 5.344 6.964 1.00 0.00 O ATOM 368 CG2 THR A 114 6.189 4.756 7.806 1.00 0.00 C ATOM 0 H THR A 114 5.121 4.847 3.518 1.00 0.00 H new ATOM 0 HA THR A 114 6.130 6.438 5.672 1.00 0.00 H new ATOM 0 HB THR A 114 5.065 3.673 6.344 1.00 0.00 H new ATOM 0 HG1 THR A 114 3.991 6.256 6.605 1.00 0.00 H new ATOM 0 HG21 THR A 114 5.724 4.254 8.654 1.00 0.00 H new ATOM 0 HG22 THR A 114 7.121 4.251 7.551 1.00 0.00 H new ATOM 0 HG23 THR A 114 6.398 5.793 8.068 1.00 0.00 H new ATOM 376 N GLY A 115 7.834 5.209 3.971 1.00 0.00 N ATOM 377 CA GLY A 115 9.043 4.572 3.481 1.00 0.00 C ATOM 378 C GLY A 115 10.029 5.559 2.887 1.00 0.00 C ATOM 379 O GLY A 115 11.237 5.429 3.082 1.00 0.00 O ATOM 0 H GLY A 115 7.586 6.078 3.498 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.522 4.035 4.299 1.00 0.00 H new ATOM 0 HA3 GLY A 115 8.778 3.832 2.726 1.00 0.00 H new ATOM 383 N GLY A 116 9.517 6.549 2.162 1.00 0.00 N ATOM 384 CA GLY A 116 10.381 7.546 1.553 1.00 0.00 C ATOM 385 C GLY A 116 11.062 7.046 0.293 1.00 0.00 C ATOM 386 O GLY A 116 10.399 6.586 -0.636 1.00 0.00 O ATOM 0 H GLY A 116 8.521 6.679 1.985 1.00 0.00 H new ATOM 0 HA2 GLY A 116 9.793 8.432 1.315 1.00 0.00 H new ATOM 0 HA3 GLY A 116 11.140 7.851 2.274 1.00 0.00 H new ATOM 390 N ASP A 117 12.390 7.145 0.257 1.00 0.00 N ATOM 391 CA ASP A 117 13.158 6.708 -0.906 1.00 0.00 C ATOM 392 C ASP A 117 14.527 6.167 -0.492 1.00 0.00 C ATOM 393 O ASP A 117 15.553 6.529 -1.069 1.00 0.00 O ATOM 394 CB ASP A 117 13.327 7.864 -1.895 1.00 0.00 C ATOM 395 CG ASP A 117 14.013 9.068 -1.276 1.00 0.00 C ATOM 396 OD1 ASP A 117 14.348 9.011 -0.073 1.00 0.00 O ATOM 397 OD2 ASP A 117 14.213 10.070 -1.994 1.00 0.00 O ATOM 0 H ASP A 117 12.954 7.523 1.018 1.00 0.00 H new ATOM 0 HA ASP A 117 12.606 5.902 -1.390 1.00 0.00 H new ATOM 0 HB2 ASP A 117 13.907 7.522 -2.752 1.00 0.00 H new ATOM 0 HB3 ASP A 117 12.348 8.162 -2.270 1.00 0.00 H new ATOM 402 N LEU A 118 14.526 5.290 0.505 1.00 0.00 N ATOM 403 CA LEU A 118 15.754 4.678 1.002 1.00 0.00 C ATOM 404 C LEU A 118 16.173 3.520 0.102 1.00 0.00 C ATOM 405 O LEU A 118 15.363 3.006 -0.665 1.00 0.00 O ATOM 406 CB LEU A 118 15.565 4.182 2.441 1.00 0.00 C ATOM 407 CG LEU A 118 15.434 5.278 3.505 1.00 0.00 C ATOM 408 CD1 LEU A 118 14.188 6.118 3.271 1.00 0.00 C ATOM 409 CD2 LEU A 118 15.404 4.663 4.896 1.00 0.00 C ATOM 0 H LEU A 118 13.682 4.984 0.989 1.00 0.00 H new ATOM 0 HA LEU A 118 16.540 5.433 0.993 1.00 0.00 H new ATOM 0 HB2 LEU A 118 14.673 3.557 2.477 1.00 0.00 H new ATOM 0 HB3 LEU A 118 16.411 3.546 2.702 1.00 0.00 H new ATOM 0 HG LEU A 118 16.303 5.932 3.428 1.00 0.00 H new ATOM 0 HD11 LEU A 118 14.119 6.888 4.039 1.00 0.00 H new ATOM 0 HD12 LEU A 118 14.246 6.589 2.290 1.00 0.00 H new ATOM 0 HD13 LEU A 118 13.305 5.480 3.316 1.00 0.00 H new ATOM 0 HD21 LEU A 118 15.311 5.453 5.641 1.00 0.00 H new ATOM 0 HD22 LEU A 118 14.553 3.986 4.976 1.00 0.00 H new ATOM 0 HD23 LEU A 118 16.326 4.109 5.069 1.00 0.00 H new ATOM 421 N PRO A 119 17.447 3.095 0.175 1.00 0.00 N ATOM 422 CA PRO A 119 17.956 1.993 -0.644 1.00 0.00 C ATOM 423 C PRO A 119 16.986 0.813 -0.698 1.00 0.00 C ATOM 424 O PRO A 119 16.990 -0.049 0.181 1.00 0.00 O ATOM 425 CB PRO A 119 19.243 1.595 0.077 1.00 0.00 C ATOM 426 CG PRO A 119 19.719 2.851 0.726 1.00 0.00 C ATOM 427 CD PRO A 119 18.489 3.659 1.056 1.00 0.00 C ATOM 0 HA PRO A 119 18.102 2.285 -1.684 1.00 0.00 H new ATOM 0 HB2 PRO A 119 19.058 0.814 0.814 1.00 0.00 H new ATOM 0 HB3 PRO A 119 19.984 1.205 -0.621 1.00 0.00 H new ATOM 0 HG2 PRO A 119 20.290 2.629 1.628 1.00 0.00 H new ATOM 0 HG3 PRO A 119 20.379 3.405 0.059 1.00 0.00 H new ATOM 0 HD2 PRO A 119 18.218 3.563 2.107 1.00 0.00 H new ATOM 0 HD3 PRO A 119 18.644 4.720 0.862 1.00 0.00 H new ATOM 435 N ALA A 120 16.157 0.791 -1.743 1.00 0.00 N ATOM 436 CA ALA A 120 15.169 -0.268 -1.942 1.00 0.00 C ATOM 437 C ALA A 120 14.048 -0.205 -0.907 1.00 0.00 C ATOM 438 O ALA A 120 13.053 -0.919 -1.021 1.00 0.00 O ATOM 439 CB ALA A 120 15.838 -1.635 -1.915 1.00 0.00 C ATOM 0 H ALA A 120 16.152 1.504 -2.472 1.00 0.00 H new ATOM 0 HA ALA A 120 14.719 -0.112 -2.923 1.00 0.00 H new ATOM 0 HB1 ALA A 120 15.087 -2.411 -2.065 1.00 0.00 H new ATOM 0 HB2 ALA A 120 16.582 -1.692 -2.710 1.00 0.00 H new ATOM 0 HB3 ALA A 120 16.325 -1.783 -0.951 1.00 0.00 H new ATOM 445 N LEU A 121 14.215 0.644 0.104 1.00 0.00 N ATOM 446 CA LEU A 121 13.216 0.784 1.160 1.00 0.00 C ATOM 447 C LEU A 121 13.028 -0.531 1.908 1.00 0.00 C ATOM 448 O LEU A 121 11.922 -1.064 1.968 1.00 0.00 O ATOM 449 CB LEU A 121 11.869 1.254 0.600 1.00 0.00 C ATOM 450 CG LEU A 121 11.797 2.731 0.215 1.00 0.00 C ATOM 451 CD1 LEU A 121 12.535 2.974 -1.088 1.00 0.00 C ATOM 452 CD2 LEU A 121 10.348 3.178 0.097 1.00 0.00 C ATOM 0 H LEU A 121 15.032 1.245 0.214 1.00 0.00 H new ATOM 0 HA LEU A 121 13.585 1.540 1.853 1.00 0.00 H new ATOM 0 HB2 LEU A 121 11.632 0.655 -0.279 1.00 0.00 H new ATOM 0 HB3 LEU A 121 11.096 1.052 1.342 1.00 0.00 H new ATOM 0 HG LEU A 121 12.277 3.318 0.998 1.00 0.00 H new ATOM 0 HD11 LEU A 121 12.475 4.031 -1.349 1.00 0.00 H new ATOM 0 HD12 LEU A 121 13.580 2.688 -0.973 1.00 0.00 H new ATOM 0 HD13 LEU A 121 12.081 2.378 -1.880 1.00 0.00 H new ATOM 0 HD21 LEU A 121 10.314 4.232 -0.178 1.00 0.00 H new ATOM 0 HD22 LEU A 121 9.846 2.587 -0.669 1.00 0.00 H new ATOM 0 HD23 LEU A 121 9.844 3.036 1.053 1.00 0.00 H new ATOM 464 N ASP A 122 14.115 -1.050 2.473 1.00 0.00 N ATOM 465 CA ASP A 122 14.070 -2.304 3.221 1.00 0.00 C ATOM 466 C ASP A 122 13.424 -2.090 4.592 1.00 0.00 C ATOM 467 O ASP A 122 13.968 -2.497 5.619 1.00 0.00 O ATOM 468 CB ASP A 122 15.482 -2.875 3.385 1.00 0.00 C ATOM 469 CG ASP A 122 15.486 -4.259 4.006 1.00 0.00 C ATOM 470 OD1 ASP A 122 14.390 -4.790 4.286 1.00 0.00 O ATOM 471 OD2 ASP A 122 16.586 -4.814 4.209 1.00 0.00 O ATOM 0 H ASP A 122 15.039 -0.621 2.427 1.00 0.00 H new ATOM 0 HA ASP A 122 13.465 -3.017 2.661 1.00 0.00 H new ATOM 0 HB2 ASP A 122 15.968 -2.917 2.410 1.00 0.00 H new ATOM 0 HB3 ASP A 122 16.072 -2.201 4.006 1.00 0.00 H new ATOM 476 N GLY A 123 12.264 -1.442 4.597 1.00 0.00 N ATOM 477 CA GLY A 123 11.558 -1.172 5.832 1.00 0.00 C ATOM 478 C GLY A 123 10.275 -0.402 5.593 1.00 0.00 C ATOM 479 O GLY A 123 9.427 -0.298 6.479 1.00 0.00 O ATOM 0 H GLY A 123 11.798 -1.097 3.758 1.00 0.00 H new ATOM 0 HA2 GLY A 123 11.329 -2.113 6.332 1.00 0.00 H new ATOM 0 HA3 GLY A 123 12.203 -0.604 6.502 1.00 0.00 H new ATOM 483 N ALA A 124 10.140 0.141 4.385 1.00 0.00 N ATOM 484 CA ALA A 124 8.959 0.911 4.007 1.00 0.00 C ATOM 485 C ALA A 124 7.676 0.149 4.321 1.00 0.00 C ATOM 486 O ALA A 124 7.637 -1.080 4.253 1.00 0.00 O ATOM 487 CB ALA A 124 9.009 1.263 2.532 1.00 0.00 C ATOM 0 H ALA A 124 10.840 0.060 3.647 1.00 0.00 H new ATOM 0 HA ALA A 124 8.958 1.830 4.593 1.00 0.00 H new ATOM 0 HB1 ALA A 124 8.122 1.837 2.265 1.00 0.00 H new ATOM 0 HB2 ALA A 124 9.900 1.857 2.330 1.00 0.00 H new ATOM 0 HB3 ALA A 124 9.041 0.348 1.940 1.00 0.00 H new ATOM 493 N ARG A 125 6.629 0.890 4.663 1.00 0.00 N ATOM 494 CA ARG A 125 5.338 0.296 4.988 1.00 0.00 C ATOM 495 C ARG A 125 4.200 1.206 4.542 1.00 0.00 C ATOM 496 O ARG A 125 4.229 2.413 4.782 1.00 0.00 O ATOM 497 CB ARG A 125 5.238 0.034 6.493 1.00 0.00 C ATOM 498 CG ARG A 125 6.127 -1.101 6.973 1.00 0.00 C ATOM 499 CD ARG A 125 5.657 -2.439 6.433 1.00 0.00 C ATOM 500 NE ARG A 125 4.306 -2.769 6.884 1.00 0.00 N ATOM 501 CZ ARG A 125 3.984 -2.989 8.155 1.00 0.00 C ATOM 502 NH1 ARG A 125 4.914 -2.936 9.099 1.00 0.00 N ATOM 503 NH2 ARG A 125 2.730 -3.268 8.485 1.00 0.00 N ATOM 0 H ARG A 125 6.649 1.908 4.723 1.00 0.00 H new ATOM 0 HA ARG A 125 5.254 -0.652 4.456 1.00 0.00 H new ATOM 0 HB2 ARG A 125 5.503 0.944 7.030 1.00 0.00 H new ATOM 0 HB3 ARG A 125 4.203 -0.195 6.746 1.00 0.00 H new ATOM 0 HG2 ARG A 125 7.154 -0.920 6.656 1.00 0.00 H new ATOM 0 HG3 ARG A 125 6.129 -1.127 8.063 1.00 0.00 H new ATOM 0 HD2 ARG A 125 5.680 -2.418 5.343 1.00 0.00 H new ATOM 0 HD3 ARG A 125 6.346 -3.221 6.752 1.00 0.00 H new ATOM 0 HE ARG A 125 3.568 -2.834 6.183 1.00 0.00 H new ATOM 0 HH11 ARG A 125 5.881 -2.726 8.851 1.00 0.00 H new ATOM 0 HH12 ARG A 125 4.662 -3.105 10.073 1.00 0.00 H new ATOM 0 HH21 ARG A 125 2.011 -3.314 7.763 1.00 0.00 H new ATOM 0 HH22 ARG A 125 2.485 -3.437 9.461 1.00 0.00 H new ATOM 517 N VAL A 126 3.201 0.622 3.887 1.00 0.00 N ATOM 518 CA VAL A 126 2.061 1.389 3.405 1.00 0.00 C ATOM 519 C VAL A 126 0.741 0.790 3.879 1.00 0.00 C ATOM 520 O VAL A 126 0.513 -0.417 3.767 1.00 0.00 O ATOM 521 CB VAL A 126 2.051 1.476 1.868 1.00 0.00 C ATOM 522 CG1 VAL A 126 3.290 2.202 1.367 1.00 0.00 C ATOM 523 CG2 VAL A 126 1.950 0.089 1.251 1.00 0.00 C ATOM 0 H VAL A 126 3.159 -0.376 3.679 1.00 0.00 H new ATOM 0 HA VAL A 126 2.165 2.392 3.819 1.00 0.00 H new ATOM 0 HB VAL A 126 1.174 2.046 1.562 1.00 0.00 H new ATOM 0 HG11 VAL A 126 3.266 2.254 0.279 1.00 0.00 H new ATOM 0 HG12 VAL A 126 3.312 3.211 1.778 1.00 0.00 H new ATOM 0 HG13 VAL A 126 4.182 1.662 1.685 1.00 0.00 H new ATOM 0 HG21 VAL A 126 1.944 0.174 0.164 1.00 0.00 H new ATOM 0 HG22 VAL A 126 2.804 -0.511 1.564 1.00 0.00 H new ATOM 0 HG23 VAL A 126 1.029 -0.390 1.582 1.00 0.00 H new ATOM 533 N GLU A 127 -0.125 1.651 4.402 1.00 0.00 N ATOM 534 CA GLU A 127 -1.432 1.231 4.890 1.00 0.00 C ATOM 535 C GLU A 127 -2.527 1.605 3.898 1.00 0.00 C ATOM 536 O GLU A 127 -2.514 2.694 3.328 1.00 0.00 O ATOM 537 CB GLU A 127 -1.721 1.867 6.250 1.00 0.00 C ATOM 538 CG GLU A 127 -0.858 1.320 7.375 1.00 0.00 C ATOM 539 CD GLU A 127 -1.068 -0.164 7.618 1.00 0.00 C ATOM 540 OE1 GLU A 127 -1.931 -0.764 6.942 1.00 0.00 O ATOM 541 OE2 GLU A 127 -0.373 -0.726 8.490 1.00 0.00 O ATOM 0 H GLU A 127 0.057 2.650 4.499 1.00 0.00 H new ATOM 0 HA GLU A 127 -1.420 0.147 5.000 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -1.569 2.944 6.178 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -2.770 1.710 6.499 1.00 0.00 H new ATOM 0 HG2 GLU A 127 0.191 1.499 7.140 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -1.077 1.867 8.292 1.00 0.00 H new ATOM 548 N PHE A 128 -3.472 0.699 3.697 1.00 0.00 N ATOM 549 CA PHE A 128 -4.575 0.942 2.773 1.00 0.00 C ATOM 550 C PHE A 128 -5.867 1.229 3.527 1.00 0.00 C ATOM 551 O PHE A 128 -6.114 0.668 4.595 1.00 0.00 O ATOM 552 CB PHE A 128 -4.770 -0.249 1.830 1.00 0.00 C ATOM 553 CG PHE A 128 -3.618 -0.472 0.891 1.00 0.00 C ATOM 554 CD1 PHE A 128 -2.371 -0.836 1.372 1.00 0.00 C ATOM 555 CD2 PHE A 128 -3.783 -0.311 -0.477 1.00 0.00 C ATOM 556 CE1 PHE A 128 -1.310 -1.038 0.510 1.00 0.00 C ATOM 557 CE2 PHE A 128 -2.726 -0.512 -1.344 1.00 0.00 C ATOM 558 CZ PHE A 128 -1.488 -0.876 -0.850 1.00 0.00 C ATOM 0 H PHE A 128 -3.499 -0.210 4.159 1.00 0.00 H new ATOM 0 HA PHE A 128 -4.320 1.819 2.178 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -4.922 -1.150 2.424 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -5.678 -0.094 1.247 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -2.226 -0.964 2.435 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -4.748 -0.025 -0.869 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -0.343 -1.322 0.899 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -2.867 -0.385 -2.407 1.00 0.00 H new ATOM 0 HZ PHE A 128 -0.661 -1.034 -1.526 1.00 0.00 H new ATOM 568 N ARG A 129 -6.688 2.111 2.964 1.00 0.00 N ATOM 569 CA ARG A 129 -7.957 2.476 3.581 1.00 0.00 C ATOM 570 C ARG A 129 -8.988 2.818 2.511 1.00 0.00 C ATOM 571 O ARG A 129 -8.768 3.703 1.684 1.00 0.00 O ATOM 572 CB ARG A 129 -7.758 3.672 4.517 1.00 0.00 C ATOM 573 CG ARG A 129 -8.954 3.967 5.410 1.00 0.00 C ATOM 574 CD ARG A 129 -9.179 2.856 6.426 1.00 0.00 C ATOM 575 NE ARG A 129 -10.224 3.194 7.391 1.00 0.00 N ATOM 576 CZ ARG A 129 -11.499 3.386 7.068 1.00 0.00 C ATOM 577 NH1 ARG A 129 -11.897 3.257 5.810 1.00 0.00 N ATOM 578 NH2 ARG A 129 -12.380 3.704 8.006 1.00 0.00 N ATOM 0 H ARG A 129 -6.496 2.585 2.082 1.00 0.00 H new ATOM 0 HA ARG A 129 -8.322 1.627 4.159 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -6.886 3.487 5.145 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -7.538 4.556 3.918 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -8.796 4.911 5.931 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -9.847 4.087 4.796 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -9.451 1.939 5.904 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -8.248 2.657 6.956 1.00 0.00 H new ATOM 0 HE ARG A 129 -9.959 3.288 8.371 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -11.224 3.009 5.085 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -12.877 3.405 5.567 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -12.080 3.801 8.976 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -13.358 3.851 7.758 1.00 0.00 H new ATOM 592 N CYS A 130 -10.110 2.106 2.527 1.00 0.00 N ATOM 593 CA CYS A 130 -11.173 2.328 1.553 1.00 0.00 C ATOM 594 C CYS A 130 -12.157 3.383 2.047 1.00 0.00 C ATOM 595 O CYS A 130 -12.450 3.457 3.241 1.00 0.00 O ATOM 596 CB CYS A 130 -11.913 1.018 1.271 1.00 0.00 C ATOM 597 SG CYS A 130 -10.839 -0.353 0.729 1.00 0.00 S ATOM 0 H CYS A 130 -10.307 1.369 3.205 1.00 0.00 H new ATOM 0 HA CYS A 130 -10.716 2.689 0.631 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -12.443 0.713 2.173 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -12.666 1.198 0.504 1.00 0.00 H new ATOM 602 N ASP A 131 -12.667 4.195 1.125 1.00 0.00 N ATOM 603 CA ASP A 131 -13.624 5.244 1.472 1.00 0.00 C ATOM 604 C ASP A 131 -14.798 4.670 2.264 1.00 0.00 C ATOM 605 O ASP A 131 -15.136 3.498 2.113 1.00 0.00 O ATOM 606 CB ASP A 131 -14.140 5.938 0.209 1.00 0.00 C ATOM 607 CG ASP A 131 -13.049 6.692 -0.525 1.00 0.00 C ATOM 608 OD1 ASP A 131 -12.061 6.052 -0.936 1.00 0.00 O ATOM 609 OD2 ASP A 131 -13.186 7.922 -0.689 1.00 0.00 O ATOM 0 H ASP A 131 -12.435 4.148 0.133 1.00 0.00 H new ATOM 0 HA ASP A 131 -13.109 5.976 2.094 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -14.575 5.194 -0.458 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -14.938 6.630 0.479 1.00 0.00 H new ATOM 614 N PRO A 132 -15.428 5.494 3.126 1.00 0.00 N ATOM 615 CA PRO A 132 -16.569 5.071 3.956 1.00 0.00 C ATOM 616 C PRO A 132 -17.734 4.531 3.127 1.00 0.00 C ATOM 617 O PRO A 132 -18.753 5.200 2.956 1.00 0.00 O ATOM 618 CB PRO A 132 -16.986 6.351 4.693 1.00 0.00 C ATOM 619 CG PRO A 132 -16.341 7.468 3.944 1.00 0.00 C ATOM 620 CD PRO A 132 -15.078 6.902 3.367 1.00 0.00 C ATOM 0 HA PRO A 132 -16.293 4.254 4.622 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -18.070 6.461 4.706 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -16.655 6.332 5.731 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -16.997 7.841 3.157 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -16.126 8.308 4.604 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -14.791 7.410 2.446 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -14.240 6.997 4.058 1.00 0.00 H new ATOM 628 N ASP A 133 -17.569 3.312 2.624 1.00 0.00 N ATOM 629 CA ASP A 133 -18.587 2.652 1.815 1.00 0.00 C ATOM 630 C ASP A 133 -18.082 1.284 1.372 1.00 0.00 C ATOM 631 O ASP A 133 -18.843 0.320 1.295 1.00 0.00 O ATOM 632 CB ASP A 133 -18.950 3.501 0.594 1.00 0.00 C ATOM 633 CG ASP A 133 -20.125 2.928 -0.176 1.00 0.00 C ATOM 634 OD1 ASP A 133 -21.214 2.791 0.419 1.00 0.00 O ATOM 635 OD2 ASP A 133 -19.958 2.618 -1.374 1.00 0.00 O ATOM 0 H ASP A 133 -16.727 2.754 2.766 1.00 0.00 H new ATOM 0 HA ASP A 133 -19.485 2.528 2.420 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -19.189 4.514 0.917 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -18.086 3.572 -0.066 1.00 0.00 H new ATOM 640 N PHE A 134 -16.783 1.214 1.094 1.00 0.00 N ATOM 641 CA PHE A 134 -16.150 -0.030 0.672 1.00 0.00 C ATOM 642 C PHE A 134 -15.256 -0.566 1.785 1.00 0.00 C ATOM 643 O PHE A 134 -14.515 0.193 2.410 1.00 0.00 O ATOM 644 CB PHE A 134 -15.302 0.187 -0.588 1.00 0.00 C ATOM 645 CG PHE A 134 -16.059 0.708 -1.780 1.00 0.00 C ATOM 646 CD1 PHE A 134 -16.721 1.925 -1.729 1.00 0.00 C ATOM 647 CD2 PHE A 134 -16.098 -0.020 -2.958 1.00 0.00 C ATOM 648 CE1 PHE A 134 -17.405 2.405 -2.830 1.00 0.00 C ATOM 649 CE2 PHE A 134 -16.781 0.454 -4.061 1.00 0.00 C ATOM 650 CZ PHE A 134 -17.436 1.667 -3.998 1.00 0.00 C ATOM 0 H PHE A 134 -16.146 2.009 1.154 1.00 0.00 H new ATOM 0 HA PHE A 134 -16.938 -0.749 0.451 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -14.499 0.886 -0.352 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -14.832 -0.758 -0.859 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -16.702 2.505 -0.818 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -15.588 -0.970 -3.015 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -17.915 3.356 -2.778 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -16.802 -0.125 -4.973 1.00 0.00 H new ATOM 0 HZ PHE A 134 -17.971 2.039 -4.859 1.00 0.00 H new ATOM 660 N HIS A 135 -15.317 -1.870 2.029 1.00 0.00 N ATOM 661 CA HIS A 135 -14.495 -2.483 3.064 1.00 0.00 C ATOM 662 C HIS A 135 -13.308 -3.214 2.442 1.00 0.00 C ATOM 663 O HIS A 135 -13.468 -3.998 1.506 1.00 0.00 O ATOM 664 CB HIS A 135 -15.326 -3.441 3.924 1.00 0.00 C ATOM 665 CG HIS A 135 -15.956 -4.563 3.157 1.00 0.00 C ATOM 666 ND1 HIS A 135 -16.856 -4.365 2.132 1.00 0.00 N ATOM 667 CD2 HIS A 135 -15.814 -5.904 3.276 1.00 0.00 C ATOM 668 CE1 HIS A 135 -17.241 -5.535 1.654 1.00 0.00 C ATOM 669 NE2 HIS A 135 -16.623 -6.484 2.331 1.00 0.00 N ATOM 0 H HIS A 135 -15.923 -2.519 1.528 1.00 0.00 H new ATOM 0 HA HIS A 135 -14.114 -1.691 3.709 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -14.688 -3.860 4.702 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -16.110 -2.874 4.426 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -15.182 -6.421 3.983 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -17.942 -5.688 0.847 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -16.729 -7.487 2.177 1.00 0.00 H new ATOM 678 N LEU A 136 -12.115 -2.937 2.963 1.00 0.00 N ATOM 679 CA LEU A 136 -10.894 -3.554 2.457 1.00 0.00 C ATOM 680 C LEU A 136 -10.826 -5.030 2.840 1.00 0.00 C ATOM 681 O LEU A 136 -11.028 -5.389 4.000 1.00 0.00 O ATOM 682 CB LEU A 136 -9.670 -2.811 2.995 1.00 0.00 C ATOM 683 CG LEU A 136 -8.323 -3.296 2.457 1.00 0.00 C ATOM 684 CD1 LEU A 136 -8.309 -3.257 0.935 1.00 0.00 C ATOM 685 CD2 LEU A 136 -7.194 -2.451 3.024 1.00 0.00 C ATOM 0 H LEU A 136 -11.969 -2.288 3.736 1.00 0.00 H new ATOM 0 HA LEU A 136 -10.903 -3.487 1.369 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -9.776 -1.752 2.761 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -9.661 -2.898 4.082 1.00 0.00 H new ATOM 0 HG LEU A 136 -8.175 -4.329 2.773 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -7.343 -3.606 0.571 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -9.097 -3.902 0.547 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -8.477 -2.235 0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -6.241 -2.807 2.633 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -7.338 -1.410 2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -7.192 -2.529 4.111 1.00 0.00 H new ATOM 697 N VAL A 137 -10.551 -5.880 1.855 1.00 0.00 N ATOM 698 CA VAL A 137 -10.469 -7.319 2.084 1.00 0.00 C ATOM 699 C VAL A 137 -9.266 -7.939 1.373 1.00 0.00 C ATOM 700 O VAL A 137 -9.431 -8.695 0.415 1.00 0.00 O ATOM 701 CB VAL A 137 -11.750 -8.029 1.602 1.00 0.00 C ATOM 702 CG1 VAL A 137 -11.716 -9.509 1.959 1.00 0.00 C ATOM 703 CG2 VAL A 137 -12.986 -7.363 2.184 1.00 0.00 C ATOM 0 H VAL A 137 -10.381 -5.597 0.890 1.00 0.00 H new ATOM 0 HA VAL A 137 -10.354 -7.457 3.159 1.00 0.00 H new ATOM 0 HB VAL A 137 -11.797 -7.944 0.516 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -12.630 -9.989 1.609 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -10.855 -9.978 1.483 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -11.639 -9.621 3.041 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -13.878 -7.880 1.831 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -12.946 -7.410 3.272 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -13.021 -6.321 1.867 1.00 0.00 H new ATOM 713 N GLY A 138 -8.054 -7.626 1.830 1.00 0.00 N ATOM 714 CA GLY A 138 -6.881 -8.191 1.190 1.00 0.00 C ATOM 715 C GLY A 138 -5.580 -7.645 1.734 1.00 0.00 C ATOM 716 O GLY A 138 -5.360 -7.638 2.944 1.00 0.00 O ATOM 0 H GLY A 138 -7.867 -7.004 2.616 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -6.893 -9.274 1.316 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -6.930 -7.994 0.119 1.00 0.00 H new ATOM 720 N SER A 139 -4.717 -7.198 0.825 1.00 0.00 N ATOM 721 CA SER A 139 -3.417 -6.641 1.186 1.00 0.00 C ATOM 722 C SER A 139 -3.568 -5.303 1.899 1.00 0.00 C ATOM 723 O SER A 139 -3.126 -4.267 1.400 1.00 0.00 O ATOM 724 CB SER A 139 -2.554 -6.470 -0.062 1.00 0.00 C ATOM 725 OG SER A 139 -1.352 -5.782 0.237 1.00 0.00 O ATOM 0 H SER A 139 -4.899 -7.212 -0.179 1.00 0.00 H new ATOM 0 HA SER A 139 -2.931 -7.338 1.869 1.00 0.00 H new ATOM 0 HB2 SER A 139 -2.321 -7.448 -0.483 1.00 0.00 H new ATOM 0 HB3 SER A 139 -3.112 -5.921 -0.821 1.00 0.00 H new ATOM 0 HG SER A 139 -1.563 -4.882 0.564 1.00 0.00 H new ATOM 731 N SER A 140 -4.195 -5.332 3.065 1.00 0.00 N ATOM 732 CA SER A 140 -4.409 -4.137 3.851 1.00 0.00 C ATOM 733 C SER A 140 -3.078 -3.462 4.172 1.00 0.00 C ATOM 734 O SER A 140 -3.024 -2.257 4.419 1.00 0.00 O ATOM 735 CB SER A 140 -5.161 -4.506 5.126 1.00 0.00 C ATOM 736 OG SER A 140 -4.381 -5.347 5.957 1.00 0.00 O ATOM 0 H SER A 140 -4.567 -6.183 3.487 1.00 0.00 H new ATOM 0 HA SER A 140 -5.007 -3.426 3.281 1.00 0.00 H new ATOM 0 HB2 SER A 140 -5.427 -3.599 5.669 1.00 0.00 H new ATOM 0 HB3 SER A 140 -6.093 -5.009 4.869 1.00 0.00 H new ATOM 0 HG SER A 140 -4.887 -5.566 6.767 1.00 0.00 H new ATOM 742 N ARG A 141 -2.004 -4.249 4.155 1.00 0.00 N ATOM 743 CA ARG A 141 -0.666 -3.734 4.433 1.00 0.00 C ATOM 744 C ARG A 141 0.366 -4.377 3.507 1.00 0.00 C ATOM 745 O ARG A 141 0.346 -5.588 3.285 1.00 0.00 O ATOM 746 CB ARG A 141 -0.288 -3.991 5.894 1.00 0.00 C ATOM 747 CG ARG A 141 -0.256 -5.463 6.265 1.00 0.00 C ATOM 748 CD ARG A 141 0.125 -5.664 7.724 1.00 0.00 C ATOM 749 NE ARG A 141 -0.834 -5.042 8.635 1.00 0.00 N ATOM 750 CZ ARG A 141 -2.107 -5.416 8.736 1.00 0.00 C ATOM 751 NH1 ARG A 141 -2.574 -6.411 7.993 1.00 0.00 N ATOM 752 NH2 ARG A 141 -2.915 -4.794 9.584 1.00 0.00 N ATOM 0 H ARG A 141 -2.035 -5.248 3.951 1.00 0.00 H new ATOM 0 HA ARG A 141 -0.673 -2.659 4.252 1.00 0.00 H new ATOM 0 HB2 ARG A 141 0.692 -3.555 6.089 1.00 0.00 H new ATOM 0 HB3 ARG A 141 -1.000 -3.478 6.540 1.00 0.00 H new ATOM 0 HG2 ARG A 141 -1.234 -5.907 6.079 1.00 0.00 H new ATOM 0 HG3 ARG A 141 0.457 -5.984 5.627 1.00 0.00 H new ATOM 0 HD2 ARG A 141 0.188 -6.731 7.938 1.00 0.00 H new ATOM 0 HD3 ARG A 141 1.116 -5.245 7.900 1.00 0.00 H new ATOM 0 HE ARG A 141 -0.509 -4.278 9.227 1.00 0.00 H new ATOM 0 HH11 ARG A 141 -1.956 -6.893 7.340 1.00 0.00 H new ATOM 0 HH12 ARG A 141 -3.551 -6.694 8.075 1.00 0.00 H new ATOM 0 HH21 ARG A 141 -2.561 -4.029 10.158 1.00 0.00 H new ATOM 0 HH22 ARG A 141 -3.891 -5.080 9.662 1.00 0.00 H new ATOM 766 N SER A 142 1.269 -3.558 2.972 1.00 0.00 N ATOM 767 CA SER A 142 2.315 -4.044 2.070 1.00 0.00 C ATOM 768 C SER A 142 3.690 -3.578 2.543 1.00 0.00 C ATOM 769 O SER A 142 3.915 -2.382 2.741 1.00 0.00 O ATOM 770 CB SER A 142 2.058 -3.543 0.647 1.00 0.00 C ATOM 771 OG SER A 142 3.053 -4.010 -0.245 1.00 0.00 O ATOM 0 H SER A 142 1.299 -2.554 3.147 1.00 0.00 H new ATOM 0 HA SER A 142 2.294 -5.134 2.075 1.00 0.00 H new ATOM 0 HB2 SER A 142 1.077 -3.880 0.311 1.00 0.00 H new ATOM 0 HB3 SER A 142 2.041 -2.453 0.639 1.00 0.00 H new ATOM 0 HG SER A 142 3.299 -3.292 -0.865 1.00 0.00 H new ATOM 777 N VAL A 143 4.604 -4.528 2.726 1.00 0.00 N ATOM 778 CA VAL A 143 5.955 -4.212 3.180 1.00 0.00 C ATOM 779 C VAL A 143 6.928 -4.135 2.008 1.00 0.00 C ATOM 780 O VAL A 143 7.126 -5.115 1.294 1.00 0.00 O ATOM 781 CB VAL A 143 6.478 -5.269 4.173 1.00 0.00 C ATOM 782 CG1 VAL A 143 7.852 -4.875 4.697 1.00 0.00 C ATOM 783 CG2 VAL A 143 5.498 -5.467 5.318 1.00 0.00 C ATOM 0 H VAL A 143 4.434 -5.521 2.567 1.00 0.00 H new ATOM 0 HA VAL A 143 5.896 -3.243 3.675 1.00 0.00 H new ATOM 0 HB VAL A 143 6.573 -6.218 3.645 1.00 0.00 H new ATOM 0 HG11 VAL A 143 8.206 -5.632 5.397 1.00 0.00 H new ATOM 0 HG12 VAL A 143 8.550 -4.796 3.864 1.00 0.00 H new ATOM 0 HG13 VAL A 143 7.785 -3.914 5.206 1.00 0.00 H new ATOM 0 HG21 VAL A 143 5.889 -6.217 6.006 1.00 0.00 H new ATOM 0 HG22 VAL A 143 5.363 -4.524 5.848 1.00 0.00 H new ATOM 0 HG23 VAL A 143 4.539 -5.802 4.922 1.00 0.00 H new ATOM 793 N CYS A 144 7.552 -2.977 1.829 1.00 0.00 N ATOM 794 CA CYS A 144 8.517 -2.802 0.753 1.00 0.00 C ATOM 795 C CYS A 144 9.847 -3.445 1.135 1.00 0.00 C ATOM 796 O CYS A 144 10.435 -3.113 2.164 1.00 0.00 O ATOM 797 CB CYS A 144 8.712 -1.315 0.445 1.00 0.00 C ATOM 798 SG CYS A 144 9.876 -0.973 -0.916 1.00 0.00 S ATOM 0 H CYS A 144 7.408 -2.152 2.411 1.00 0.00 H new ATOM 0 HA CYS A 144 8.135 -3.291 -0.143 1.00 0.00 H new ATOM 0 HB2 CYS A 144 7.745 -0.878 0.198 1.00 0.00 H new ATOM 0 HB3 CYS A 144 9.067 -0.814 1.345 1.00 0.00 H new ATOM 803 N SER A 145 10.311 -4.372 0.305 1.00 0.00 N ATOM 804 CA SER A 145 11.566 -5.068 0.558 1.00 0.00 C ATOM 805 C SER A 145 12.670 -4.542 -0.359 1.00 0.00 C ATOM 806 O SER A 145 12.951 -3.346 -0.370 1.00 0.00 O ATOM 807 CB SER A 145 11.378 -6.576 0.369 1.00 0.00 C ATOM 808 OG SER A 145 11.001 -6.883 -0.961 1.00 0.00 O ATOM 0 H SER A 145 9.836 -4.659 -0.550 1.00 0.00 H new ATOM 0 HA SER A 145 11.867 -4.881 1.589 1.00 0.00 H new ATOM 0 HB2 SER A 145 12.305 -7.094 0.616 1.00 0.00 H new ATOM 0 HB3 SER A 145 10.616 -6.939 1.059 1.00 0.00 H new ATOM 0 HG SER A 145 10.169 -6.415 -1.182 1.00 0.00 H new ATOM 814 N GLN A 146 13.291 -5.438 -1.125 1.00 0.00 N ATOM 815 CA GLN A 146 14.358 -5.058 -2.046 1.00 0.00 C ATOM 816 C GLN A 146 13.781 -4.377 -3.291 1.00 0.00 C ATOM 817 O GLN A 146 14.020 -4.812 -4.418 1.00 0.00 O ATOM 818 CB GLN A 146 15.176 -6.291 -2.444 1.00 0.00 C ATOM 819 CG GLN A 146 16.413 -5.969 -3.269 1.00 0.00 C ATOM 820 CD GLN A 146 17.190 -7.210 -3.660 1.00 0.00 C ATOM 821 OE1 GLN A 146 16.670 -8.092 -4.345 1.00 0.00 O ATOM 822 NE2 GLN A 146 18.442 -7.287 -3.225 1.00 0.00 N ATOM 0 H GLN A 146 13.072 -6.434 -1.125 1.00 0.00 H new ATOM 0 HA GLN A 146 15.014 -4.349 -1.541 1.00 0.00 H new ATOM 0 HB2 GLN A 146 15.481 -6.820 -1.541 1.00 0.00 H new ATOM 0 HB3 GLN A 146 14.539 -6.970 -3.011 1.00 0.00 H new ATOM 0 HG2 GLN A 146 16.115 -5.432 -4.170 1.00 0.00 H new ATOM 0 HG3 GLN A 146 17.062 -5.303 -2.700 1.00 0.00 H new ATOM 0 HE21 GLN A 146 18.833 -6.533 -2.660 1.00 0.00 H new ATOM 0 HE22 GLN A 146 19.013 -8.100 -3.456 1.00 0.00 H new ATOM 831 N GLY A 147 13.015 -3.312 -3.075 1.00 0.00 N ATOM 832 CA GLY A 147 12.410 -2.588 -4.178 1.00 0.00 C ATOM 833 C GLY A 147 11.154 -3.264 -4.708 1.00 0.00 C ATOM 834 O GLY A 147 10.743 -3.019 -5.842 1.00 0.00 O ATOM 0 H GLY A 147 12.802 -2.936 -2.151 1.00 0.00 H new ATOM 0 HA2 GLY A 147 12.163 -1.578 -3.852 1.00 0.00 H new ATOM 0 HA3 GLY A 147 13.135 -2.494 -4.986 1.00 0.00 H new ATOM 838 N GLN A 148 10.540 -4.114 -3.883 1.00 0.00 N ATOM 839 CA GLN A 148 9.321 -4.823 -4.275 1.00 0.00 C ATOM 840 C GLN A 148 8.357 -4.961 -3.096 1.00 0.00 C ATOM 841 O GLN A 148 8.772 -5.268 -1.979 1.00 0.00 O ATOM 842 CB GLN A 148 9.667 -6.205 -4.834 1.00 0.00 C ATOM 843 CG GLN A 148 10.488 -6.155 -6.113 1.00 0.00 C ATOM 844 CD GLN A 148 10.846 -7.531 -6.647 1.00 0.00 C ATOM 845 OE1 GLN A 148 10.446 -8.576 -5.931 1.00 0.00 O flip ATOM 846 NE2 GLN A 148 11.480 -7.652 -7.694 1.00 0.00 N flip ATOM 0 H GLN A 148 10.866 -4.328 -2.941 1.00 0.00 H new ATOM 0 HA GLN A 148 8.828 -4.237 -5.051 1.00 0.00 H new ATOM 0 HB2 GLN A 148 10.219 -6.765 -4.079 1.00 0.00 H new ATOM 0 HB3 GLN A 148 8.744 -6.752 -5.026 1.00 0.00 H new ATOM 0 HG2 GLN A 148 9.930 -5.611 -6.875 1.00 0.00 H new ATOM 0 HG3 GLN A 148 11.404 -5.594 -5.928 1.00 0.00 H new ATOM 0 HE21 GLN A 148 11.769 -6.823 -8.214 1.00 0.00 H new ATOM 0 HE22 GLN A 148 11.717 -8.581 -8.042 1.00 0.00 H new ATOM 855 N TRP A 149 7.069 -4.731 -3.351 1.00 0.00 N ATOM 856 CA TRP A 149 6.051 -4.828 -2.306 1.00 0.00 C ATOM 857 C TRP A 149 5.879 -6.266 -1.824 1.00 0.00 C ATOM 858 O TRP A 149 5.888 -7.204 -2.620 1.00 0.00 O ATOM 859 CB TRP A 149 4.705 -4.299 -2.804 1.00 0.00 C ATOM 860 CG TRP A 149 4.757 -2.884 -3.285 1.00 0.00 C ATOM 861 CD1 TRP A 149 4.840 -2.460 -4.579 1.00 0.00 C ATOM 862 CD2 TRP A 149 4.749 -1.705 -2.474 1.00 0.00 C ATOM 863 NE1 TRP A 149 4.865 -1.088 -4.623 1.00 0.00 N ATOM 864 CE2 TRP A 149 4.814 -0.602 -3.343 1.00 0.00 C ATOM 865 CE3 TRP A 149 4.687 -1.478 -1.097 1.00 0.00 C ATOM 866 CZ2 TRP A 149 4.820 0.711 -2.878 1.00 0.00 C ATOM 867 CZ3 TRP A 149 4.695 -0.175 -0.638 1.00 0.00 C ATOM 868 CH2 TRP A 149 4.761 0.905 -1.527 1.00 0.00 C ATOM 0 H TRP A 149 6.707 -4.477 -4.270 1.00 0.00 H new ATOM 0 HA TRP A 149 6.393 -4.217 -1.471 1.00 0.00 H new ATOM 0 HB2 TRP A 149 4.351 -4.936 -3.614 1.00 0.00 H new ATOM 0 HB3 TRP A 149 3.975 -4.373 -1.998 1.00 0.00 H new ATOM 0 HD1 TRP A 149 4.880 -3.108 -5.442 1.00 0.00 H new ATOM 0 HE1 TRP A 149 4.914 -0.523 -5.471 1.00 0.00 H new ATOM 0 HE3 TRP A 149 4.634 -2.305 -0.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 4.870 1.546 -3.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 4.650 0.014 0.424 1.00 0.00 H new ATOM 0 HH2 TRP A 149 4.765 1.912 -1.137 1.00 0.00 H new ATOM 879 N SER A 150 5.712 -6.424 -0.514 1.00 0.00 N ATOM 880 CA SER A 150 5.526 -7.740 0.085 1.00 0.00 C ATOM 881 C SER A 150 4.320 -8.451 -0.522 1.00 0.00 C ATOM 882 O SER A 150 4.429 -9.582 -0.997 1.00 0.00 O ATOM 883 CB SER A 150 5.349 -7.617 1.599 1.00 0.00 C ATOM 884 OG SER A 150 5.177 -8.889 2.199 1.00 0.00 O ATOM 0 H SER A 150 5.702 -5.653 0.154 1.00 0.00 H new ATOM 0 HA SER A 150 6.417 -8.332 -0.123 1.00 0.00 H new ATOM 0 HB2 SER A 150 6.219 -7.123 2.031 1.00 0.00 H new ATOM 0 HB3 SER A 150 4.485 -6.989 1.817 1.00 0.00 H new ATOM 0 HG SER A 150 5.068 -8.782 3.167 1.00 0.00 H new ATOM 890 N THR A 151 3.166 -7.783 -0.499 1.00 0.00 N ATOM 891 CA THR A 151 1.942 -8.362 -1.043 1.00 0.00 C ATOM 892 C THR A 151 1.276 -7.428 -2.057 1.00 0.00 C ATOM 893 O THR A 151 1.262 -6.210 -1.879 1.00 0.00 O ATOM 894 CB THR A 151 0.941 -8.706 0.075 1.00 0.00 C ATOM 895 OG1 THR A 151 -0.324 -9.070 -0.489 1.00 0.00 O ATOM 896 CG2 THR A 151 0.766 -7.533 1.025 1.00 0.00 C ATOM 0 H THR A 151 3.055 -6.846 -0.111 1.00 0.00 H new ATOM 0 HA THR A 151 2.231 -9.280 -1.555 1.00 0.00 H new ATOM 0 HB THR A 151 1.338 -9.550 0.639 1.00 0.00 H new ATOM 0 HG1 THR A 151 -0.952 -9.288 0.231 1.00 0.00 H new ATOM 0 HG21 THR A 151 0.054 -7.800 1.806 1.00 0.00 H new ATOM 0 HG22 THR A 151 1.726 -7.285 1.478 1.00 0.00 H new ATOM 0 HG23 THR A 151 0.392 -6.671 0.473 1.00 0.00 H new ATOM 904 N PRO A 152 0.719 -7.999 -3.145 1.00 0.00 N ATOM 905 CA PRO A 152 0.052 -7.228 -4.207 1.00 0.00 C ATOM 906 C PRO A 152 -1.127 -6.405 -3.695 1.00 0.00 C ATOM 907 O PRO A 152 -1.839 -6.824 -2.784 1.00 0.00 O ATOM 908 CB PRO A 152 -0.440 -8.302 -5.188 1.00 0.00 C ATOM 909 CG PRO A 152 -0.423 -9.576 -4.414 1.00 0.00 C ATOM 910 CD PRO A 152 0.701 -9.443 -3.430 1.00 0.00 C ATOM 0 HA PRO A 152 0.732 -6.501 -4.651 1.00 0.00 H new ATOM 0 HB2 PRO A 152 -1.443 -8.075 -5.550 1.00 0.00 H new ATOM 0 HB3 PRO A 152 0.208 -8.364 -6.062 1.00 0.00 H new ATOM 0 HG2 PRO A 152 -1.373 -9.736 -3.903 1.00 0.00 H new ATOM 0 HG3 PRO A 152 -0.267 -10.431 -5.072 1.00 0.00 H new ATOM 0 HD2 PRO A 152 0.521 -10.030 -2.530 1.00 0.00 H new ATOM 0 HD3 PRO A 152 1.648 -9.784 -3.849 1.00 0.00 H new ATOM 918 N LYS A 153 -1.322 -5.231 -4.292 1.00 0.00 N ATOM 919 CA LYS A 153 -2.410 -4.331 -3.909 1.00 0.00 C ATOM 920 C LYS A 153 -3.749 -5.067 -3.854 1.00 0.00 C ATOM 921 O LYS A 153 -4.080 -5.839 -4.754 1.00 0.00 O ATOM 922 CB LYS A 153 -2.498 -3.166 -4.897 1.00 0.00 C ATOM 923 CG LYS A 153 -3.625 -2.190 -4.595 1.00 0.00 C ATOM 924 CD LYS A 153 -3.702 -1.089 -5.640 1.00 0.00 C ATOM 925 CE LYS A 153 -4.852 -0.135 -5.359 1.00 0.00 C ATOM 926 NZ LYS A 153 -6.165 -0.837 -5.345 1.00 0.00 N ATOM 0 H LYS A 153 -0.736 -4.878 -5.049 1.00 0.00 H new ATOM 0 HA LYS A 153 -2.193 -3.948 -2.912 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -1.551 -2.626 -4.893 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -2.634 -3.564 -5.903 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -4.573 -2.727 -4.560 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -3.472 -1.749 -3.610 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -2.764 -0.535 -5.656 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -3.828 -1.532 -6.628 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -4.692 0.354 -4.398 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -4.867 0.648 -6.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -6.932 -0.139 -5.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -6.214 -1.497 -6.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -6.267 -1.366 -4.455 1.00 0.00 H new ATOM 940 N PRO A 154 -4.540 -4.834 -2.788 1.00 0.00 N ATOM 941 CA PRO A 154 -5.846 -5.475 -2.615 1.00 0.00 C ATOM 942 C PRO A 154 -6.944 -4.812 -3.444 1.00 0.00 C ATOM 943 O PRO A 154 -6.683 -4.268 -4.517 1.00 0.00 O ATOM 944 CB PRO A 154 -6.120 -5.290 -1.126 1.00 0.00 C ATOM 945 CG PRO A 154 -5.431 -4.015 -0.775 1.00 0.00 C ATOM 946 CD PRO A 154 -4.220 -3.927 -1.667 1.00 0.00 C ATOM 0 HA PRO A 154 -5.838 -6.514 -2.945 1.00 0.00 H new ATOM 0 HB2 PRO A 154 -7.189 -5.232 -0.923 1.00 0.00 H new ATOM 0 HB3 PRO A 154 -5.730 -6.125 -0.544 1.00 0.00 H new ATOM 0 HG2 PRO A 154 -6.091 -3.161 -0.930 1.00 0.00 H new ATOM 0 HG3 PRO A 154 -5.141 -4.007 0.276 1.00 0.00 H new ATOM 0 HD2 PRO A 154 -4.052 -2.907 -2.013 1.00 0.00 H new ATOM 0 HD3 PRO A 154 -3.316 -4.240 -1.145 1.00 0.00 H new ATOM 954 N HIS A 155 -8.173 -4.862 -2.934 1.00 0.00 N ATOM 955 CA HIS A 155 -9.314 -4.269 -3.619 1.00 0.00 C ATOM 956 C HIS A 155 -10.404 -3.882 -2.624 1.00 0.00 C ATOM 957 O HIS A 155 -10.605 -4.563 -1.617 1.00 0.00 O ATOM 958 CB HIS A 155 -9.873 -5.242 -4.660 1.00 0.00 C ATOM 959 CG HIS A 155 -10.292 -6.559 -4.084 1.00 0.00 C ATOM 960 ND1 HIS A 155 -9.425 -7.400 -3.417 1.00 0.00 N ATOM 961 CD2 HIS A 155 -11.495 -7.181 -4.077 1.00 0.00 C ATOM 962 CE1 HIS A 155 -10.076 -8.481 -3.026 1.00 0.00 C ATOM 963 NE2 HIS A 155 -11.333 -8.372 -3.415 1.00 0.00 N ATOM 0 H HIS A 155 -8.402 -5.309 -2.046 1.00 0.00 H new ATOM 0 HA HIS A 155 -8.974 -3.365 -4.125 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -10.729 -4.781 -5.153 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -9.118 -5.414 -5.427 1.00 0.00 H new ATOM 0 HD1 HIS A 155 -8.436 -7.216 -3.252 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -12.411 -6.809 -4.511 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -9.652 -9.312 -2.481 1.00 0.00 H new ATOM 972 N CYS A 156 -11.108 -2.791 -2.910 1.00 0.00 N ATOM 973 CA CYS A 156 -12.180 -2.325 -2.037 1.00 0.00 C ATOM 974 C CYS A 156 -13.533 -2.814 -2.543 1.00 0.00 C ATOM 975 O CYS A 156 -13.872 -2.623 -3.711 1.00 0.00 O ATOM 976 CB CYS A 156 -12.181 -0.796 -1.958 1.00 0.00 C ATOM 977 SG CYS A 156 -10.655 -0.073 -1.273 1.00 0.00 S ATOM 0 H CYS A 156 -10.956 -2.214 -3.737 1.00 0.00 H new ATOM 0 HA CYS A 156 -12.006 -2.732 -1.041 1.00 0.00 H new ATOM 0 HB2 CYS A 156 -12.341 -0.393 -2.958 1.00 0.00 H new ATOM 0 HB3 CYS A 156 -13.025 -0.477 -1.347 1.00 0.00 H new ATOM 982 N GLN A 157 -14.298 -3.450 -1.662 1.00 0.00 N ATOM 983 CA GLN A 157 -15.610 -3.970 -2.030 1.00 0.00 C ATOM 984 C GLN A 157 -16.723 -3.187 -1.341 1.00 0.00 C ATOM 985 O GLN A 157 -16.699 -2.998 -0.127 1.00 0.00 O ATOM 986 CB GLN A 157 -15.713 -5.451 -1.662 1.00 0.00 C ATOM 987 CG GLN A 157 -14.662 -6.319 -2.336 1.00 0.00 C ATOM 988 CD GLN A 157 -14.766 -7.786 -1.955 1.00 0.00 C ATOM 989 OE1 GLN A 157 -15.731 -8.119 -1.103 1.00 0.00 O flip ATOM 990 NE2 GLN A 157 -13.984 -8.614 -2.422 1.00 0.00 N flip ATOM 0 H GLN A 157 -14.033 -3.617 -0.691 1.00 0.00 H new ATOM 0 HA GLN A 157 -15.727 -3.858 -3.108 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -15.620 -5.556 -0.581 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -16.703 -5.817 -1.934 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -14.759 -6.223 -3.417 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -13.671 -5.951 -2.071 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -13.257 -8.318 -3.073 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -14.063 -9.596 -2.158 1.00 0.00 H new ATOM 999 N VAL A 158 -17.701 -2.742 -2.122 1.00 0.00 N ATOM 1000 CA VAL A 158 -18.825 -1.987 -1.579 1.00 0.00 C ATOM 1001 C VAL A 158 -19.729 -2.887 -0.741 1.00 0.00 C ATOM 1002 O VAL A 158 -20.037 -4.012 -1.134 1.00 0.00 O ATOM 1003 CB VAL A 158 -19.655 -1.329 -2.699 1.00 0.00 C ATOM 1004 CG1 VAL A 158 -20.165 -2.376 -3.678 1.00 0.00 C ATOM 1005 CG2 VAL A 158 -20.808 -0.529 -2.113 1.00 0.00 C ATOM 0 H VAL A 158 -17.739 -2.890 -3.130 1.00 0.00 H new ATOM 0 HA VAL A 158 -18.410 -1.203 -0.946 1.00 0.00 H new ATOM 0 HB VAL A 158 -19.008 -0.642 -3.245 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -20.748 -1.890 -4.460 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -19.319 -2.897 -4.127 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -20.794 -3.093 -3.149 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -21.381 -0.073 -2.920 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -21.455 -1.191 -1.538 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -20.415 0.251 -1.461 1.00 0.00 H new ATOM 1015 N ASN A 159 -20.150 -2.384 0.417 1.00 0.00 N ATOM 1016 CA ASN A 159 -21.017 -3.146 1.310 1.00 0.00 C ATOM 1017 C ASN A 159 -22.330 -3.504 0.619 1.00 0.00 C ATOM 1018 O ASN A 159 -23.239 -2.648 0.596 1.00 0.00 O ATOM 1019 CB ASN A 159 -21.301 -2.351 2.585 1.00 0.00 C ATOM 1020 CG ASN A 159 -20.040 -2.035 3.365 1.00 0.00 C ATOM 1021 OD1 ASN A 159 -19.784 -0.751 3.582 1.00 0.00 O flip ATOM 1022 ND2 ASN A 159 -19.305 -2.935 3.771 1.00 0.00 N flip ATOM 1023 OXT ASN A 159 -22.437 -4.638 0.105 1.00 0.00 O ATOM 0 H ASN A 159 -19.905 -1.454 0.758 1.00 0.00 H new ATOM 0 HA ASN A 159 -20.501 -4.069 1.574 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -21.806 -1.421 2.324 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -21.984 -2.918 3.218 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -19.540 -3.909 3.582 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -18.461 -2.706 4.297 1.00 0.00 H new