USER MOD reduce.3.24.130724 H: found=0, std=0, add=324, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 325 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 152 THR OG1 : rot 0:sc= 0.132 USER MOD Set 1.2: A 159 THR OG1 : rot 45:sc= 1.15 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 142 HIS : no HE2:sc= -7.06! C(o=-7.1!,f=-9.2!) USER MOD Single : A 143 ASN : amide:sc= -0.0865 X(o=-0.086,f=0) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 LYS NZ :NH3+ -168:sc= 0.674 (180deg=0.595) USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 60 N ALA A 130 -6.792 6.235 -4.017 1.00 0.00 N ATOM 61 CA ALA A 130 -6.622 4.863 -3.554 1.00 0.00 C ATOM 62 C ALA A 130 -5.454 4.752 -2.581 1.00 0.00 C ATOM 63 O ALA A 130 -5.457 3.906 -1.686 1.00 0.00 O ATOM 64 CB ALA A 130 -6.416 3.929 -4.738 1.00 0.00 C ATOM 0 HA ALA A 130 -7.529 4.569 -3.026 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -6.290 2.908 -4.378 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -7.284 3.978 -5.395 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -5.526 4.232 -5.289 1.00 0.00 H new ATOM 70 N LEU A 131 -4.456 5.611 -2.761 1.00 0.00 N ATOM 71 CA LEU A 131 -3.281 5.611 -1.900 1.00 0.00 C ATOM 72 C LEU A 131 -3.413 6.658 -0.799 1.00 0.00 C ATOM 73 O LEU A 131 -4.183 7.612 -0.925 1.00 0.00 O ATOM 74 CB LEU A 131 -2.021 5.876 -2.724 1.00 0.00 C ATOM 75 CG LEU A 131 -1.369 4.633 -3.332 1.00 0.00 C ATOM 76 CD1 LEU A 131 -0.558 5.003 -4.564 1.00 0.00 C ATOM 77 CD2 LEU A 131 -0.493 3.935 -2.303 1.00 0.00 C ATOM 0 H LEU A 131 -4.439 6.317 -3.497 1.00 0.00 H new ATOM 0 HA LEU A 131 -3.202 4.629 -1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -2.271 6.567 -3.529 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -1.290 6.377 -2.090 1.00 0.00 H new ATOM 0 HG LEU A 131 -2.157 3.944 -3.636 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -0.102 4.106 -4.982 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -1.213 5.458 -5.307 1.00 0.00 H new ATOM 0 HD13 LEU A 131 0.223 5.711 -4.286 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -0.037 3.053 -2.752 1.00 0.00 H new ATOM 0 HD22 LEU A 131 0.289 4.617 -1.968 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -1.102 3.634 -1.451 1.00 0.00 H new ATOM 89 N SER A 132 -2.656 6.478 0.279 1.00 0.00 N ATOM 90 CA SER A 132 -2.688 7.409 1.400 1.00 0.00 C ATOM 91 C SER A 132 -1.406 8.237 1.455 1.00 0.00 C ATOM 92 O SER A 132 -0.349 7.790 1.010 1.00 0.00 O ATOM 93 CB SER A 132 -2.877 6.651 2.715 1.00 0.00 C ATOM 94 OG SER A 132 -4.197 6.149 2.829 1.00 0.00 O ATOM 0 H SER A 132 -2.013 5.695 0.399 1.00 0.00 H new ATOM 0 HA SER A 132 -3.531 8.085 1.255 1.00 0.00 H new ATOM 0 HB2 SER A 132 -2.165 5.827 2.769 1.00 0.00 H new ATOM 0 HB3 SER A 132 -2.663 7.313 3.554 1.00 0.00 H new ATOM 0 HG SER A 132 -4.292 5.667 3.677 1.00 0.00 H new ATOM 100 N PRO A 133 -1.483 9.462 2.004 1.00 0.00 N ATOM 101 CA PRO A 133 -0.322 10.353 2.113 1.00 0.00 C ATOM 102 C PRO A 133 0.849 9.693 2.833 1.00 0.00 C ATOM 103 O PRO A 133 1.954 9.612 2.296 1.00 0.00 O ATOM 104 CB PRO A 133 -0.850 11.536 2.928 1.00 0.00 C ATOM 105 CG PRO A 133 -2.324 11.522 2.711 1.00 0.00 C ATOM 106 CD PRO A 133 -2.704 10.075 2.558 1.00 0.00 C ATOM 0 HA PRO A 133 0.066 10.634 1.134 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -0.605 11.429 3.985 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -0.410 12.475 2.592 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -2.847 11.976 3.552 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -2.593 12.093 1.822 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -2.981 9.628 3.513 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -3.556 9.951 1.889 1.00 0.00 H new ATOM 114 N ALA A 134 0.601 9.220 4.050 1.00 0.00 N ATOM 115 CA ALA A 134 1.637 8.568 4.839 1.00 0.00 C ATOM 116 C ALA A 134 2.110 7.285 4.164 1.00 0.00 C ATOM 117 O ALA A 134 3.314 7.033 4.045 1.00 0.00 O ATOM 118 CB ALA A 134 1.125 8.273 6.241 1.00 0.00 C ATOM 0 H ALA A 134 -0.308 9.276 4.510 1.00 0.00 H new ATOM 0 HA ALA A 134 2.488 9.246 4.912 1.00 0.00 H new ATOM 0 HB1 ALA A 134 1.910 7.786 6.820 1.00 0.00 H new ATOM 0 HB2 ALA A 134 0.841 9.206 6.728 1.00 0.00 H new ATOM 0 HB3 ALA A 134 0.257 7.616 6.181 1.00 0.00 H new ATOM 124 N ILE A 135 1.159 6.470 3.718 1.00 0.00 N ATOM 125 CA ILE A 135 1.491 5.219 3.057 1.00 0.00 C ATOM 126 C ILE A 135 2.379 5.462 1.847 1.00 0.00 C ATOM 127 O ILE A 135 3.358 4.754 1.647 1.00 0.00 O ATOM 128 CB ILE A 135 0.238 4.445 2.607 1.00 0.00 C ATOM 129 CG1 ILE A 135 -0.664 4.150 3.807 1.00 0.00 C ATOM 130 CG2 ILE A 135 0.643 3.153 1.902 1.00 0.00 C ATOM 131 CD1 ILE A 135 -1.905 3.360 3.452 1.00 0.00 C ATOM 0 H ILE A 135 0.159 6.654 3.803 1.00 0.00 H new ATOM 0 HA ILE A 135 2.023 4.617 3.793 1.00 0.00 H new ATOM 0 HB ILE A 135 -0.323 5.060 1.903 1.00 0.00 H new ATOM 0 HG12 ILE A 135 -0.093 3.598 4.553 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -0.962 5.092 4.267 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -0.251 2.614 1.588 1.00 0.00 H new ATOM 0 HG22 ILE A 135 1.249 3.390 1.028 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.220 2.531 2.586 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -2.496 3.188 4.351 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -2.498 3.920 2.729 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -1.615 2.402 3.020 1.00 0.00 H new ATOM 143 N ARG A 136 2.040 6.465 1.042 1.00 0.00 N ATOM 144 CA ARG A 136 2.832 6.774 -0.142 1.00 0.00 C ATOM 145 C ARG A 136 4.307 6.876 0.229 1.00 0.00 C ATOM 146 O ARG A 136 5.182 6.459 -0.530 1.00 0.00 O ATOM 147 CB ARG A 136 2.329 8.064 -0.802 1.00 0.00 C ATOM 148 CG ARG A 136 3.211 9.272 -0.548 1.00 0.00 C ATOM 149 CD ARG A 136 2.675 10.514 -1.241 1.00 0.00 C ATOM 150 NE ARG A 136 3.740 11.459 -1.571 1.00 0.00 N ATOM 151 CZ ARG A 136 3.628 12.412 -2.494 1.00 0.00 C ATOM 152 NH1 ARG A 136 2.500 12.553 -3.180 1.00 0.00 N ATOM 153 NH2 ARG A 136 4.646 13.227 -2.731 1.00 0.00 N ATOM 0 H ARG A 136 1.232 7.071 1.186 1.00 0.00 H new ATOM 0 HA ARG A 136 2.720 5.968 -0.867 1.00 0.00 H new ATOM 0 HB2 ARG A 136 2.251 7.903 -1.877 1.00 0.00 H new ATOM 0 HB3 ARG A 136 1.324 8.278 -0.438 1.00 0.00 H new ATOM 0 HG2 ARG A 136 3.279 9.454 0.525 1.00 0.00 H new ATOM 0 HG3 ARG A 136 4.221 9.066 -0.901 1.00 0.00 H new ATOM 0 HD2 ARG A 136 2.153 10.224 -2.153 1.00 0.00 H new ATOM 0 HD3 ARG A 136 1.944 11.002 -0.596 1.00 0.00 H new ATOM 0 HE ARG A 136 4.622 11.384 -1.064 1.00 0.00 H new ATOM 0 HH11 ARG A 136 1.713 11.929 -3.001 1.00 0.00 H new ATOM 0 HH12 ARG A 136 2.420 13.285 -3.886 1.00 0.00 H new ATOM 0 HH21 ARG A 136 5.515 13.124 -2.206 1.00 0.00 H new ATOM 0 HH22 ARG A 136 4.561 13.957 -3.438 1.00 0.00 H new ATOM 167 N ARG A 137 4.568 7.401 1.419 1.00 0.00 N ATOM 168 CA ARG A 137 5.928 7.520 1.910 1.00 0.00 C ATOM 169 C ARG A 137 6.454 6.134 2.250 1.00 0.00 C ATOM 170 O ARG A 137 7.599 5.797 1.948 1.00 0.00 O ATOM 171 CB ARG A 137 5.976 8.421 3.144 1.00 0.00 C ATOM 172 CG ARG A 137 5.510 9.843 2.878 1.00 0.00 C ATOM 173 CD ARG A 137 6.487 10.593 1.986 1.00 0.00 C ATOM 174 NE ARG A 137 7.308 11.535 2.743 1.00 0.00 N ATOM 175 CZ ARG A 137 6.888 12.736 3.135 1.00 0.00 C ATOM 176 NH1 ARG A 137 5.661 13.146 2.843 1.00 0.00 N ATOM 177 NH2 ARG A 137 7.700 13.529 3.822 1.00 0.00 N ATOM 0 H ARG A 137 3.854 7.750 2.059 1.00 0.00 H new ATOM 0 HA ARG A 137 6.552 7.970 1.138 1.00 0.00 H new ATOM 0 HB2 ARG A 137 5.355 7.985 3.926 1.00 0.00 H new ATOM 0 HB3 ARG A 137 6.997 8.447 3.525 1.00 0.00 H new ATOM 0 HG2 ARG A 137 4.527 9.823 2.406 1.00 0.00 H new ATOM 0 HG3 ARG A 137 5.399 10.373 3.824 1.00 0.00 H new ATOM 0 HD2 ARG A 137 7.133 9.879 1.475 1.00 0.00 H new ATOM 0 HD3 ARG A 137 5.935 11.131 1.216 1.00 0.00 H new ATOM 0 HE ARG A 137 8.259 11.256 2.985 1.00 0.00 H new ATOM 0 HH11 ARG A 137 5.033 12.540 2.315 1.00 0.00 H new ATOM 0 HH12 ARG A 137 5.345 14.067 3.146 1.00 0.00 H new ATOM 0 HH21 ARG A 137 8.645 13.218 4.049 1.00 0.00 H new ATOM 0 HH22 ARG A 137 7.380 14.449 4.123 1.00 0.00 H new ATOM 191 N LEU A 138 5.594 5.332 2.873 1.00 0.00 N ATOM 192 CA LEU A 138 5.956 3.970 3.249 1.00 0.00 C ATOM 193 C LEU A 138 6.296 3.136 2.014 1.00 0.00 C ATOM 194 O LEU A 138 7.367 2.534 1.939 1.00 0.00 O ATOM 195 CB LEU A 138 4.814 3.307 4.021 1.00 0.00 C ATOM 196 CG LEU A 138 5.091 1.872 4.474 1.00 0.00 C ATOM 197 CD1 LEU A 138 6.231 1.841 5.479 1.00 0.00 C ATOM 198 CD2 LEU A 138 3.839 1.247 5.068 1.00 0.00 C ATOM 0 H LEU A 138 4.644 5.602 3.127 1.00 0.00 H new ATOM 0 HA LEU A 138 6.837 4.022 3.889 1.00 0.00 H new ATOM 0 HB2 LEU A 138 4.589 3.913 4.899 1.00 0.00 H new ATOM 0 HB3 LEU A 138 3.922 3.309 3.395 1.00 0.00 H new ATOM 0 HG LEU A 138 5.385 1.288 3.602 1.00 0.00 H new ATOM 0 HD11 LEU A 138 6.414 0.812 5.790 1.00 0.00 H new ATOM 0 HD12 LEU A 138 7.132 2.247 5.020 1.00 0.00 H new ATOM 0 HD13 LEU A 138 5.965 2.441 6.349 1.00 0.00 H new ATOM 0 HD21 LEU A 138 4.056 0.227 5.384 1.00 0.00 H new ATOM 0 HD22 LEU A 138 3.513 1.832 5.928 1.00 0.00 H new ATOM 0 HD23 LEU A 138 3.048 1.234 4.318 1.00 0.00 H new ATOM 210 N LEU A 139 5.387 3.116 1.040 1.00 0.00 N ATOM 211 CA LEU A 139 5.605 2.363 -0.189 1.00 0.00 C ATOM 212 C LEU A 139 6.851 2.874 -0.893 1.00 0.00 C ATOM 213 O LEU A 139 7.624 2.101 -1.459 1.00 0.00 O ATOM 214 CB LEU A 139 4.393 2.487 -1.113 1.00 0.00 C ATOM 215 CG LEU A 139 3.268 1.484 -0.843 1.00 0.00 C ATOM 216 CD1 LEU A 139 1.910 2.152 -0.987 1.00 0.00 C ATOM 217 CD2 LEU A 139 3.381 0.290 -1.781 1.00 0.00 C ATOM 0 H LEU A 139 4.496 3.612 1.080 1.00 0.00 H new ATOM 0 HA LEU A 139 5.743 1.312 0.064 1.00 0.00 H new ATOM 0 HB2 LEU A 139 3.989 3.496 -1.024 1.00 0.00 H new ATOM 0 HB3 LEU A 139 4.727 2.367 -2.144 1.00 0.00 H new ATOM 0 HG LEU A 139 3.365 1.126 0.182 1.00 0.00 H new ATOM 0 HD11 LEU A 139 1.123 1.423 -0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 139 1.830 2.972 -0.273 1.00 0.00 H new ATOM 0 HD13 LEU A 139 1.801 2.540 -2.000 1.00 0.00 H new ATOM 0 HD21 LEU A 139 2.573 -0.412 -1.575 1.00 0.00 H new ATOM 0 HD22 LEU A 139 3.311 0.631 -2.814 1.00 0.00 H new ATOM 0 HD23 LEU A 139 4.340 -0.204 -1.627 1.00 0.00 H new ATOM 229 N ALA A 140 7.041 4.185 -0.838 1.00 0.00 N ATOM 230 CA ALA A 140 8.201 4.812 -1.456 1.00 0.00 C ATOM 231 C ALA A 140 9.485 4.330 -0.790 1.00 0.00 C ATOM 232 O ALA A 140 10.523 4.196 -1.439 1.00 0.00 O ATOM 233 CB ALA A 140 8.092 6.327 -1.373 1.00 0.00 C ATOM 0 H ALA A 140 6.407 4.835 -0.372 1.00 0.00 H new ATOM 0 HA ALA A 140 8.231 4.526 -2.507 1.00 0.00 H new ATOM 0 HB1 ALA A 140 8.967 6.781 -1.839 1.00 0.00 H new ATOM 0 HB2 ALA A 140 7.192 6.656 -1.893 1.00 0.00 H new ATOM 0 HB3 ALA A 140 8.039 6.631 -0.328 1.00 0.00 H new ATOM 239 N GLU A 141 9.401 4.068 0.511 1.00 0.00 N ATOM 240 CA GLU A 141 10.547 3.596 1.274 1.00 0.00 C ATOM 241 C GLU A 141 10.833 2.130 0.970 1.00 0.00 C ATOM 242 O GLU A 141 11.971 1.750 0.694 1.00 0.00 O ATOM 243 CB GLU A 141 10.299 3.776 2.773 1.00 0.00 C ATOM 244 CG GLU A 141 10.298 5.229 3.220 1.00 0.00 C ATOM 245 CD GLU A 141 11.105 5.451 4.484 1.00 0.00 C ATOM 246 OE1 GLU A 141 12.209 4.876 4.593 1.00 0.00 O ATOM 247 OE2 GLU A 141 10.635 6.200 5.366 1.00 0.00 O ATOM 0 H GLU A 141 8.547 4.176 1.058 1.00 0.00 H new ATOM 0 HA GLU A 141 11.415 4.188 0.982 1.00 0.00 H new ATOM 0 HB2 GLU A 141 9.341 3.325 3.031 1.00 0.00 H new ATOM 0 HB3 GLU A 141 11.066 3.235 3.327 1.00 0.00 H new ATOM 0 HG2 GLU A 141 10.702 5.851 2.421 1.00 0.00 H new ATOM 0 HG3 GLU A 141 9.271 5.553 3.388 1.00 0.00 H new ATOM 254 N HIS A 142 9.788 1.315 1.022 1.00 0.00 N ATOM 255 CA HIS A 142 9.914 -0.114 0.752 1.00 0.00 C ATOM 256 C HIS A 142 10.286 -0.370 -0.707 1.00 0.00 C ATOM 257 O HIS A 142 10.709 -1.469 -1.064 1.00 0.00 O ATOM 258 CB HIS A 142 8.607 -0.835 1.089 1.00 0.00 C ATOM 259 CG HIS A 142 8.362 -0.982 2.560 1.00 0.00 C ATOM 260 ND1 HIS A 142 8.727 -2.103 3.275 1.00 0.00 N ATOM 261 CD2 HIS A 142 7.781 -0.144 3.451 1.00 0.00 C ATOM 262 CE1 HIS A 142 8.381 -1.947 4.542 1.00 0.00 C ATOM 263 NE2 HIS A 142 7.806 -0.767 4.673 1.00 0.00 N ATOM 0 H HIS A 142 8.841 1.618 1.249 1.00 0.00 H new ATOM 0 HA HIS A 142 10.713 -0.504 1.383 1.00 0.00 H new ATOM 0 HB2 HIS A 142 7.776 -0.288 0.644 1.00 0.00 H new ATOM 0 HB3 HIS A 142 8.619 -1.824 0.631 1.00 0.00 H new ATOM 0 HD1 HIS A 142 9.191 -2.924 2.887 1.00 0.00 H new ATOM 0 HD2 HIS A 142 7.374 0.833 3.239 1.00 0.00 H new ATOM 0 HE1 HIS A 142 8.542 -2.663 5.334 1.00 0.00 H new ATOM 272 N ASN A 143 10.126 0.650 -1.549 1.00 0.00 N ATOM 273 CA ASN A 143 10.445 0.530 -2.968 1.00 0.00 C ATOM 274 C ASN A 143 9.466 -0.409 -3.667 1.00 0.00 C ATOM 275 O ASN A 143 9.871 -1.314 -4.398 1.00 0.00 O ATOM 276 CB ASN A 143 11.879 0.029 -3.155 1.00 0.00 C ATOM 277 CG ASN A 143 12.600 0.747 -4.279 1.00 0.00 C ATOM 278 OD1 ASN A 143 12.993 0.134 -5.271 1.00 0.00 O ATOM 279 ND2 ASN A 143 12.781 2.054 -4.127 1.00 0.00 N ATOM 0 H ASN A 143 9.777 1.568 -1.272 1.00 0.00 H new ATOM 0 HA ASN A 143 10.357 1.519 -3.419 1.00 0.00 H new ATOM 0 HB2 ASN A 143 12.433 0.166 -2.226 1.00 0.00 H new ATOM 0 HB3 ASN A 143 11.863 -1.041 -3.362 1.00 0.00 H new ATOM 0 HD21 ASN A 143 13.262 2.590 -4.849 1.00 0.00 H new ATOM 0 HD22 ASN A 143 12.439 2.522 -3.288 1.00 0.00 H new ATOM 286 N LEU A 144 8.176 -0.188 -3.437 1.00 0.00 N ATOM 287 CA LEU A 144 7.139 -1.013 -4.045 1.00 0.00 C ATOM 288 C LEU A 144 6.285 -0.196 -5.007 1.00 0.00 C ATOM 289 O LEU A 144 6.496 1.004 -5.178 1.00 0.00 O ATOM 290 CB LEU A 144 6.250 -1.635 -2.967 1.00 0.00 C ATOM 291 CG LEU A 144 6.985 -2.092 -1.708 1.00 0.00 C ATOM 292 CD1 LEU A 144 5.994 -2.449 -0.611 1.00 0.00 C ATOM 293 CD2 LEU A 144 7.889 -3.275 -2.018 1.00 0.00 C ATOM 0 H LEU A 144 7.824 0.555 -2.834 1.00 0.00 H new ATOM 0 HA LEU A 144 7.631 -1.808 -4.606 1.00 0.00 H new ATOM 0 HB2 LEU A 144 5.489 -0.909 -2.682 1.00 0.00 H new ATOM 0 HB3 LEU A 144 5.729 -2.491 -3.396 1.00 0.00 H new ATOM 0 HG LEU A 144 7.606 -1.269 -1.354 1.00 0.00 H new ATOM 0 HD11 LEU A 144 6.536 -2.772 0.278 1.00 0.00 H new ATOM 0 HD12 LEU A 144 5.389 -1.575 -0.369 1.00 0.00 H new ATOM 0 HD13 LEU A 144 5.346 -3.256 -0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 144 8.404 -3.587 -1.110 1.00 0.00 H new ATOM 0 HD22 LEU A 144 7.289 -4.102 -2.397 1.00 0.00 H new ATOM 0 HD23 LEU A 144 8.623 -2.985 -2.770 1.00 0.00 H new ATOM 305 N ASP A 145 5.320 -0.859 -5.631 1.00 0.00 N ATOM 306 CA ASP A 145 4.426 -0.202 -6.577 1.00 0.00 C ATOM 307 C ASP A 145 2.969 -0.415 -6.182 1.00 0.00 C ATOM 308 O ASP A 145 2.466 -1.537 -6.210 1.00 0.00 O ATOM 309 CB ASP A 145 4.667 -0.734 -7.991 1.00 0.00 C ATOM 310 CG ASP A 145 4.523 0.344 -9.047 1.00 0.00 C ATOM 311 OD1 ASP A 145 4.852 1.512 -8.752 1.00 0.00 O ATOM 312 OD2 ASP A 145 4.081 0.021 -10.170 1.00 0.00 O ATOM 0 H ASP A 145 5.136 -1.853 -5.499 1.00 0.00 H new ATOM 0 HA ASP A 145 4.637 0.867 -6.558 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.667 -1.164 -8.049 1.00 0.00 H new ATOM 0 HB3 ASP A 145 3.962 -1.539 -8.199 1.00 0.00 H new ATOM 317 N ALA A 146 2.295 0.671 -5.814 1.00 0.00 N ATOM 318 CA ALA A 146 0.893 0.605 -5.411 1.00 0.00 C ATOM 319 C ALA A 146 0.062 -0.173 -6.427 1.00 0.00 C ATOM 320 O ALA A 146 -0.734 -1.038 -6.061 1.00 0.00 O ATOM 321 CB ALA A 146 0.329 2.006 -5.229 1.00 0.00 C ATOM 0 H ALA A 146 2.697 1.608 -5.786 1.00 0.00 H new ATOM 0 HA ALA A 146 0.841 0.077 -4.459 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -0.717 1.941 -4.929 1.00 0.00 H new ATOM 0 HB2 ALA A 146 0.896 2.529 -4.459 1.00 0.00 H new ATOM 0 HB3 ALA A 146 0.403 2.553 -6.169 1.00 0.00 H new ATOM 327 N SER A 147 0.256 0.139 -7.704 1.00 0.00 N ATOM 328 CA SER A 147 -0.473 -0.533 -8.774 1.00 0.00 C ATOM 329 C SER A 147 -0.233 -2.040 -8.740 1.00 0.00 C ATOM 330 O SER A 147 -1.030 -2.816 -9.266 1.00 0.00 O ATOM 331 CB SER A 147 -0.055 0.031 -10.134 1.00 0.00 C ATOM 332 OG SER A 147 -0.698 1.266 -10.394 1.00 0.00 O ATOM 0 H SER A 147 0.911 0.852 -8.023 1.00 0.00 H new ATOM 0 HA SER A 147 -1.537 -0.352 -8.622 1.00 0.00 H new ATOM 0 HB2 SER A 147 1.026 0.168 -10.157 1.00 0.00 H new ATOM 0 HB3 SER A 147 -0.302 -0.684 -10.919 1.00 0.00 H new ATOM 0 HG SER A 147 -0.413 1.606 -11.268 1.00 0.00 H new ATOM 338 N ALA A 148 0.870 -2.449 -8.116 1.00 0.00 N ATOM 339 CA ALA A 148 1.209 -3.863 -8.014 1.00 0.00 C ATOM 340 C ALA A 148 0.575 -4.493 -6.780 1.00 0.00 C ATOM 341 O ALA A 148 0.336 -5.700 -6.740 1.00 0.00 O ATOM 342 CB ALA A 148 2.719 -4.040 -7.983 1.00 0.00 C ATOM 0 H ALA A 148 1.542 -1.821 -7.675 1.00 0.00 H new ATOM 0 HA ALA A 148 0.811 -4.371 -8.892 1.00 0.00 H new ATOM 0 HB1 ALA A 148 2.960 -5.100 -7.907 1.00 0.00 H new ATOM 0 HB2 ALA A 148 3.152 -3.635 -8.898 1.00 0.00 H new ATOM 0 HB3 ALA A 148 3.130 -3.512 -7.122 1.00 0.00 H new ATOM 348 N ILE A 149 0.303 -3.669 -5.772 1.00 0.00 N ATOM 349 CA ILE A 149 -0.302 -4.146 -4.534 1.00 0.00 C ATOM 350 C ILE A 149 -1.812 -3.927 -4.545 1.00 0.00 C ATOM 351 O ILE A 149 -2.330 -3.154 -5.351 1.00 0.00 O ATOM 352 CB ILE A 149 0.301 -3.444 -3.301 1.00 0.00 C ATOM 353 CG1 ILE A 149 1.812 -3.266 -3.472 1.00 0.00 C ATOM 354 CG2 ILE A 149 -0.003 -4.234 -2.037 1.00 0.00 C ATOM 355 CD1 ILE A 149 2.475 -2.566 -2.306 1.00 0.00 C ATOM 0 H ILE A 149 0.493 -2.667 -5.789 1.00 0.00 H new ATOM 0 HA ILE A 149 -0.090 -5.213 -4.469 1.00 0.00 H new ATOM 0 HB ILE A 149 -0.154 -2.458 -3.208 1.00 0.00 H new ATOM 0 HG12 ILE A 149 2.272 -4.245 -3.606 1.00 0.00 H new ATOM 0 HG13 ILE A 149 2.002 -2.697 -4.382 1.00 0.00 H new ATOM 0 HG21 ILE A 149 0.430 -3.724 -1.176 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -1.082 -4.312 -1.907 1.00 0.00 H new ATOM 0 HG23 ILE A 149 0.425 -5.233 -2.120 1.00 0.00 H new ATOM 0 HD11 ILE A 149 3.544 -2.475 -2.497 1.00 0.00 H new ATOM 0 HD12 ILE A 149 2.042 -1.573 -2.184 1.00 0.00 H new ATOM 0 HD13 ILE A 149 2.317 -3.145 -1.396 1.00 0.00 H new ATOM 367 N LYS A 150 -2.512 -4.611 -3.647 1.00 0.00 N ATOM 368 CA LYS A 150 -3.963 -4.491 -3.555 1.00 0.00 C ATOM 369 C LYS A 150 -4.359 -3.531 -2.438 1.00 0.00 C ATOM 370 O LYS A 150 -3.530 -3.146 -1.613 1.00 0.00 O ATOM 371 CB LYS A 150 -4.595 -5.865 -3.319 1.00 0.00 C ATOM 372 CG LYS A 150 -5.711 -6.197 -4.297 1.00 0.00 C ATOM 373 CD LYS A 150 -5.681 -7.662 -4.702 1.00 0.00 C ATOM 374 CE LYS A 150 -5.096 -7.844 -6.093 1.00 0.00 C ATOM 375 NZ LYS A 150 -3.607 -7.848 -6.073 1.00 0.00 N ATOM 0 H LYS A 150 -2.099 -5.254 -2.972 1.00 0.00 H new ATOM 0 HA LYS A 150 -4.332 -4.089 -4.499 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -3.821 -6.629 -3.391 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -4.989 -5.905 -2.304 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -6.674 -5.964 -3.844 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -5.616 -5.571 -5.184 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -5.091 -8.228 -3.981 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -6.692 -8.069 -4.675 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -5.456 -8.781 -6.518 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -5.448 -7.043 -6.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -3.247 -7.974 -7.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -3.263 -6.944 -5.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -3.270 -8.628 -5.474 1.00 0.00 H new ATOM 389 N GLY A 151 -5.633 -3.149 -2.417 1.00 0.00 N ATOM 390 CA GLY A 151 -6.116 -2.237 -1.396 1.00 0.00 C ATOM 391 C GLY A 151 -7.313 -2.789 -0.646 1.00 0.00 C ATOM 392 O GLY A 151 -8.329 -3.131 -1.250 1.00 0.00 O ATOM 0 H GLY A 151 -6.338 -3.454 -3.088 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -5.313 -2.029 -0.689 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -6.387 -1.288 -1.859 1.00 0.00 H new ATOM 396 N THR A 152 -7.194 -2.872 0.675 1.00 0.00 N ATOM 397 CA THR A 152 -8.276 -3.385 1.510 1.00 0.00 C ATOM 398 C THR A 152 -8.949 -2.259 2.291 1.00 0.00 C ATOM 399 O THR A 152 -9.624 -2.504 3.291 1.00 0.00 O ATOM 400 CB THR A 152 -7.743 -4.444 2.476 1.00 0.00 C ATOM 401 OG1 THR A 152 -6.739 -3.900 3.313 1.00 0.00 O ATOM 402 CG2 THR A 152 -7.155 -5.651 1.776 1.00 0.00 C ATOM 0 H THR A 152 -6.360 -2.591 1.191 1.00 0.00 H new ATOM 0 HA THR A 152 -9.020 -3.839 0.855 1.00 0.00 H new ATOM 0 HB THR A 152 -8.607 -4.767 3.056 1.00 0.00 H new ATOM 0 HG1 THR A 152 -6.606 -2.955 3.092 1.00 0.00 H new ATOM 0 HG21 THR A 152 -6.796 -6.363 2.519 1.00 0.00 H new ATOM 0 HG22 THR A 152 -7.921 -6.124 1.161 1.00 0.00 H new ATOM 0 HG23 THR A 152 -6.325 -5.336 1.144 1.00 0.00 H new ATOM 410 N GLY A 153 -8.763 -1.024 1.831 1.00 0.00 N ATOM 411 CA GLY A 153 -9.360 0.115 2.501 1.00 0.00 C ATOM 412 C GLY A 153 -10.869 0.146 2.361 1.00 0.00 C ATOM 413 O GLY A 153 -11.541 -0.861 2.583 1.00 0.00 O ATOM 0 H GLY A 153 -8.209 -0.794 1.006 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.097 0.089 3.558 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.941 1.034 2.091 1.00 0.00 H new ATOM 417 N VAL A 154 -11.403 1.306 1.993 1.00 0.00 N ATOM 418 CA VAL A 154 -12.842 1.467 1.824 1.00 0.00 C ATOM 419 C VAL A 154 -13.305 0.915 0.478 1.00 0.00 C ATOM 420 O VAL A 154 -13.840 1.646 -0.355 1.00 0.00 O ATOM 421 CB VAL A 154 -13.258 2.947 1.934 1.00 0.00 C ATOM 422 CG1 VAL A 154 -14.773 3.076 1.957 1.00 0.00 C ATOM 423 CG2 VAL A 154 -12.642 3.585 3.170 1.00 0.00 C ATOM 0 H VAL A 154 -10.860 2.149 1.806 1.00 0.00 H new ATOM 0 HA VAL A 154 -13.320 0.903 2.625 1.00 0.00 H new ATOM 0 HB VAL A 154 -12.885 3.476 1.057 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -15.047 4.128 2.035 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -15.188 2.660 1.039 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -15.171 2.533 2.814 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -12.947 4.630 3.231 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -12.982 3.056 4.060 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -11.555 3.527 3.106 1.00 0.00 H new ATOM 433 N GLY A 155 -13.096 -0.382 0.273 1.00 0.00 N ATOM 434 CA GLY A 155 -13.500 -1.010 -0.972 1.00 0.00 C ATOM 435 C GLY A 155 -12.318 -1.411 -1.833 1.00 0.00 C ATOM 436 O GLY A 155 -12.307 -2.494 -2.418 1.00 0.00 O ATOM 0 H GLY A 155 -12.655 -1.009 0.946 1.00 0.00 H new ATOM 0 HA2 GLY A 155 -14.100 -1.893 -0.751 1.00 0.00 H new ATOM 0 HA3 GLY A 155 -14.136 -0.324 -1.531 1.00 0.00 H new ATOM 440 N GLY A 156 -11.319 -0.538 -1.910 1.00 0.00 N ATOM 441 CA GLY A 156 -10.142 -0.828 -2.709 1.00 0.00 C ATOM 442 C GLY A 156 -9.083 0.250 -2.595 1.00 0.00 C ATOM 443 O GLY A 156 -8.774 0.934 -3.571 1.00 0.00 O ATOM 0 H GLY A 156 -11.303 0.364 -1.434 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.720 -1.782 -2.395 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -10.434 -0.937 -3.754 1.00 0.00 H new ATOM 447 N ARG A 157 -8.524 0.403 -1.399 1.00 0.00 N ATOM 448 CA ARG A 157 -7.492 1.406 -1.159 1.00 0.00 C ATOM 449 C ARG A 157 -6.271 0.781 -0.491 1.00 0.00 C ATOM 450 O ARG A 157 -6.399 -0.048 0.409 1.00 0.00 O ATOM 451 CB ARG A 157 -8.040 2.537 -0.284 1.00 0.00 C ATOM 452 CG ARG A 157 -9.445 2.983 -0.666 1.00 0.00 C ATOM 453 CD ARG A 157 -9.459 4.402 -1.212 1.00 0.00 C ATOM 454 NE ARG A 157 -10.077 4.473 -2.534 1.00 0.00 N ATOM 455 CZ ARG A 157 -11.359 4.199 -2.769 1.00 0.00 C ATOM 456 NH1 ARG A 157 -12.161 3.839 -1.775 1.00 0.00 N ATOM 457 NH2 ARG A 157 -11.841 4.287 -4.002 1.00 0.00 N ATOM 0 H ARG A 157 -8.768 -0.155 -0.581 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.190 1.815 -2.123 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -8.042 2.211 0.756 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -7.367 3.392 -0.348 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -9.852 2.302 -1.414 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -10.095 2.923 0.207 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -10.001 5.050 -0.523 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -8.438 4.779 -1.268 1.00 0.00 H new ATOM 0 HE ARG A 157 -9.492 4.749 -3.323 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -11.797 3.771 -0.825 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -13.142 3.630 -1.961 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -11.230 4.564 -4.770 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -12.823 4.077 -4.182 1.00 0.00 H new ATOM 471 N LEU A 158 -5.086 1.187 -0.939 1.00 0.00 N ATOM 472 CA LEU A 158 -3.840 0.670 -0.383 1.00 0.00 C ATOM 473 C LEU A 158 -3.725 1.010 1.100 1.00 0.00 C ATOM 474 O LEU A 158 -3.873 2.168 1.493 1.00 0.00 O ATOM 475 CB LEU A 158 -2.644 1.245 -1.146 1.00 0.00 C ATOM 476 CG LEU A 158 -1.439 0.311 -1.274 1.00 0.00 C ATOM 477 CD1 LEU A 158 -0.919 -0.086 0.099 1.00 0.00 C ATOM 478 CD2 LEU A 158 -1.803 -0.924 -2.085 1.00 0.00 C ATOM 0 H LEU A 158 -4.963 1.872 -1.685 1.00 0.00 H new ATOM 0 HA LEU A 158 -3.843 -0.415 -0.488 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -2.973 1.525 -2.147 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -2.322 2.160 -0.648 1.00 0.00 H new ATOM 0 HG LEU A 158 -0.647 0.845 -1.798 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -0.062 -0.750 -0.015 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -0.616 0.807 0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -1.706 -0.600 0.651 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -0.933 -1.576 -2.165 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -2.613 -1.459 -1.589 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -2.124 -0.623 -3.082 1.00 0.00 H new ATOM 490 N THR A 159 -3.461 -0.004 1.919 1.00 0.00 N ATOM 491 CA THR A 159 -3.326 0.195 3.357 1.00 0.00 C ATOM 492 C THR A 159 -2.077 -0.500 3.893 1.00 0.00 C ATOM 493 O THR A 159 -1.481 -1.338 3.214 1.00 0.00 O ATOM 494 CB THR A 159 -4.568 -0.327 4.085 1.00 0.00 C ATOM 495 OG1 THR A 159 -5.256 -1.274 3.286 1.00 0.00 O ATOM 496 CG2 THR A 159 -5.550 0.763 4.452 1.00 0.00 C ATOM 0 H THR A 159 -3.337 -0.969 1.612 1.00 0.00 H new ATOM 0 HA THR A 159 -3.228 1.265 3.540 1.00 0.00 H new ATOM 0 HB THR A 159 -4.195 -0.781 5.003 1.00 0.00 H new ATOM 0 HG1 THR A 159 -4.613 -1.902 2.896 1.00 0.00 H new ATOM 0 HG21 THR A 159 -6.406 0.324 4.965 1.00 0.00 H new ATOM 0 HG22 THR A 159 -5.064 1.484 5.109 1.00 0.00 H new ATOM 0 HG23 THR A 159 -5.889 1.267 3.547 1.00 0.00 H new ATOM 504 N ARG A 160 -1.690 -0.149 5.117 1.00 0.00 N ATOM 505 CA ARG A 160 -0.513 -0.739 5.745 1.00 0.00 C ATOM 506 C ARG A 160 -0.630 -2.258 5.774 1.00 0.00 C ATOM 507 O ARG A 160 0.368 -2.971 5.670 1.00 0.00 O ATOM 508 CB ARG A 160 -0.342 -0.201 7.167 1.00 0.00 C ATOM 509 CG ARG A 160 0.008 1.277 7.219 1.00 0.00 C ATOM 510 CD ARG A 160 0.874 1.602 8.426 1.00 0.00 C ATOM 511 NE ARG A 160 0.561 2.914 8.987 1.00 0.00 N ATOM 512 CZ ARG A 160 1.237 3.473 9.988 1.00 0.00 C ATOM 513 NH1 ARG A 160 2.264 2.838 10.540 1.00 0.00 N ATOM 514 NH2 ARG A 160 0.887 4.670 10.438 1.00 0.00 N ATOM 0 H ARG A 160 -2.174 0.540 5.692 1.00 0.00 H new ATOM 0 HA ARG A 160 0.363 -0.466 5.157 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -1.265 -0.367 7.723 1.00 0.00 H new ATOM 0 HB3 ARG A 160 0.440 -0.769 7.670 1.00 0.00 H new ATOM 0 HG2 ARG A 160 0.533 1.560 6.307 1.00 0.00 H new ATOM 0 HG3 ARG A 160 -0.907 1.868 7.257 1.00 0.00 H new ATOM 0 HD2 ARG A 160 0.732 0.838 9.190 1.00 0.00 H new ATOM 0 HD3 ARG A 160 1.925 1.573 8.137 1.00 0.00 H new ATOM 0 HE ARG A 160 -0.222 3.432 8.588 1.00 0.00 H new ATOM 0 HH11 ARG A 160 2.538 1.917 10.197 1.00 0.00 H new ATOM 0 HH12 ARG A 160 2.779 3.271 11.307 1.00 0.00 H new ATOM 0 HH21 ARG A 160 0.099 5.163 10.017 1.00 0.00 H new ATOM 0 HH22 ARG A 160 1.405 5.098 11.205 1.00 0.00 H new ATOM 528 N GLU A 161 -1.858 -2.745 5.902 1.00 0.00 N ATOM 529 CA GLU A 161 -2.111 -4.178 5.927 1.00 0.00 C ATOM 530 C GLU A 161 -1.764 -4.795 4.578 1.00 0.00 C ATOM 531 O GLU A 161 -1.246 -5.910 4.506 1.00 0.00 O ATOM 532 CB GLU A 161 -3.575 -4.457 6.272 1.00 0.00 C ATOM 533 CG GLU A 161 -3.906 -4.236 7.740 1.00 0.00 C ATOM 534 CD GLU A 161 -4.515 -5.462 8.391 1.00 0.00 C ATOM 535 OE1 GLU A 161 -4.195 -6.588 7.955 1.00 0.00 O ATOM 536 OE2 GLU A 161 -5.314 -5.297 9.338 1.00 0.00 O ATOM 0 H GLU A 161 -2.694 -2.167 5.990 1.00 0.00 H new ATOM 0 HA GLU A 161 -1.481 -4.628 6.695 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -4.212 -3.815 5.664 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -3.813 -5.487 6.005 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -2.998 -3.958 8.275 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -4.599 -3.399 7.831 1.00 0.00 H new ATOM 543 N ASP A 162 -2.049 -4.056 3.511 1.00 0.00 N ATOM 544 CA ASP A 162 -1.765 -4.520 2.160 1.00 0.00 C ATOM 545 C ASP A 162 -0.261 -4.603 1.927 1.00 0.00 C ATOM 546 O ASP A 162 0.243 -5.593 1.397 1.00 0.00 O ATOM 547 CB ASP A 162 -2.401 -3.582 1.132 1.00 0.00 C ATOM 548 CG ASP A 162 -3.914 -3.662 1.134 1.00 0.00 C ATOM 549 OD1 ASP A 162 -4.450 -4.774 0.945 1.00 0.00 O ATOM 550 OD2 ASP A 162 -4.564 -2.613 1.326 1.00 0.00 O ATOM 0 H ASP A 162 -2.477 -3.131 3.557 1.00 0.00 H new ATOM 0 HA ASP A 162 -2.192 -5.516 2.043 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -2.094 -2.557 1.341 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -2.028 -3.830 0.138 1.00 0.00 H new ATOM 555 N VAL A 163 0.452 -3.554 2.330 1.00 0.00 N ATOM 556 CA VAL A 163 1.900 -3.510 2.167 1.00 0.00 C ATOM 557 C VAL A 163 2.581 -4.563 3.036 1.00 0.00 C ATOM 558 O VAL A 163 3.587 -5.152 2.641 1.00 0.00 O ATOM 559 CB VAL A 163 2.464 -2.120 2.523 1.00 0.00 C ATOM 560 CG1 VAL A 163 3.963 -2.066 2.263 1.00 0.00 C ATOM 561 CG2 VAL A 163 1.741 -1.036 1.741 1.00 0.00 C ATOM 0 H VAL A 163 0.051 -2.726 2.770 1.00 0.00 H new ATOM 0 HA VAL A 163 2.108 -3.718 1.118 1.00 0.00 H new ATOM 0 HB VAL A 163 2.298 -1.943 3.586 1.00 0.00 H new ATOM 0 HG11 VAL A 163 4.342 -1.077 2.521 1.00 0.00 H new ATOM 0 HG12 VAL A 163 4.465 -2.817 2.873 1.00 0.00 H new ATOM 0 HG13 VAL A 163 4.157 -2.266 1.209 1.00 0.00 H new ATOM 0 HG21 VAL A 163 2.152 -0.062 2.005 1.00 0.00 H new ATOM 0 HG22 VAL A 163 1.873 -1.208 0.673 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.679 -1.059 1.984 1.00 0.00 H new ATOM 571 N GLU A 164 2.026 -4.795 4.222 1.00 0.00 N ATOM 572 CA GLU A 164 2.582 -5.779 5.144 1.00 0.00 C ATOM 573 C GLU A 164 2.445 -7.188 4.578 1.00 0.00 C ATOM 574 O GLU A 164 3.406 -7.958 4.564 1.00 0.00 O ATOM 575 CB GLU A 164 1.883 -5.691 6.502 1.00 0.00 C ATOM 576 CG GLU A 164 2.450 -4.612 7.410 1.00 0.00 C ATOM 577 CD GLU A 164 1.878 -4.670 8.813 1.00 0.00 C ATOM 578 OE1 GLU A 164 0.668 -4.943 8.949 1.00 0.00 O ATOM 579 OE2 GLU A 164 2.642 -4.444 9.775 1.00 0.00 O ATOM 0 H GLU A 164 1.194 -4.316 4.566 1.00 0.00 H new ATOM 0 HA GLU A 164 3.642 -5.560 5.276 1.00 0.00 H new ATOM 0 HB2 GLU A 164 0.822 -5.500 6.343 1.00 0.00 H new ATOM 0 HB3 GLU A 164 1.961 -6.655 7.005 1.00 0.00 H new ATOM 0 HG2 GLU A 164 3.534 -4.716 7.459 1.00 0.00 H new ATOM 0 HG3 GLU A 164 2.243 -3.633 6.978 1.00 0.00 H new ATOM 586 N LYS A 165 1.247 -7.518 4.107 1.00 0.00 N ATOM 587 CA LYS A 165 0.988 -8.833 3.534 1.00 0.00 C ATOM 588 C LYS A 165 1.818 -9.041 2.272 1.00 0.00 C ATOM 589 O LYS A 165 2.276 -10.149 1.993 1.00 0.00 O ATOM 590 CB LYS A 165 -0.499 -8.990 3.215 1.00 0.00 C ATOM 591 CG LYS A 165 -1.335 -9.431 4.406 1.00 0.00 C ATOM 592 CD LYS A 165 -2.450 -8.442 4.705 1.00 0.00 C ATOM 593 CE LYS A 165 -3.703 -9.146 5.200 1.00 0.00 C ATOM 594 NZ LYS A 165 -3.731 -9.253 6.685 1.00 0.00 N ATOM 0 H LYS A 165 0.441 -6.893 4.111 1.00 0.00 H new ATOM 0 HA LYS A 165 1.273 -9.588 4.266 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -0.884 -8.041 2.843 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -0.615 -9.717 2.412 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -1.763 -10.413 4.207 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -0.695 -9.534 5.282 1.00 0.00 H new ATOM 0 HD2 LYS A 165 -2.112 -7.728 5.456 1.00 0.00 H new ATOM 0 HD3 LYS A 165 -2.683 -7.872 3.805 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -4.584 -8.602 4.859 1.00 0.00 H new ATOM 0 HE3 LYS A 165 -3.755 -10.143 4.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -4.486 -9.908 6.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -2.815 -9.610 7.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 -3.911 -8.315 7.097 1.00 0.00 H new ATOM 608 N TRP A 166 2.007 -7.965 1.516 1.00 0.00 N ATOM 609 CA TRP A 166 2.783 -8.023 0.284 1.00 0.00 C ATOM 610 C TRP A 166 4.272 -8.159 0.586 1.00 0.00 C ATOM 611 O TRP A 166 4.975 -8.947 -0.047 1.00 0.00 O ATOM 612 CB TRP A 166 2.534 -6.769 -0.556 1.00 0.00 C ATOM 613 CG TRP A 166 2.986 -6.906 -1.978 1.00 0.00 C ATOM 614 CD1 TRP A 166 4.194 -6.531 -2.493 1.00 0.00 C ATOM 615 CD2 TRP A 166 2.237 -7.454 -3.068 1.00 0.00 C ATOM 616 NE1 TRP A 166 4.241 -6.813 -3.837 1.00 0.00 N ATOM 617 CE2 TRP A 166 3.052 -7.381 -4.213 1.00 0.00 C ATOM 618 CE3 TRP A 166 0.957 -8.001 -3.186 1.00 0.00 C ATOM 619 CZ2 TRP A 166 2.628 -7.834 -5.459 1.00 0.00 C ATOM 620 CZ3 TRP A 166 0.536 -8.451 -4.424 1.00 0.00 C ATOM 621 CH2 TRP A 166 1.369 -8.364 -5.546 1.00 0.00 C ATOM 0 H TRP A 166 1.633 -7.042 1.735 1.00 0.00 H new ATOM 0 HA TRP A 166 2.463 -8.900 -0.279 1.00 0.00 H new ATOM 0 HB2 TRP A 166 1.469 -6.537 -0.542 1.00 0.00 H new ATOM 0 HB3 TRP A 166 3.050 -5.925 -0.098 1.00 0.00 H new ATOM 0 HD1 TRP A 166 4.995 -6.079 -1.927 1.00 0.00 H new ATOM 0 HE1 TRP A 166 5.032 -6.629 -4.454 1.00 0.00 H new ATOM 0 HE3 TRP A 166 0.308 -8.071 -2.326 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 3.269 -7.770 -6.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 -0.451 -8.876 -4.527 1.00 0.00 H new ATOM 0 HH2 TRP A 166 1.011 -8.722 -6.500 1.00 0.00 H new ATOM 632 N LEU A 167 4.746 -7.386 1.557 1.00 0.00 N ATOM 633 CA LEU A 167 6.151 -7.420 1.945 1.00 0.00 C ATOM 634 C LEU A 167 6.523 -8.781 2.523 1.00 0.00 C ATOM 635 O LEU A 167 7.616 -9.293 2.281 1.00 0.00 O ATOM 636 CB LEU A 167 6.447 -6.321 2.967 1.00 0.00 C ATOM 637 CG LEU A 167 6.584 -4.914 2.384 1.00 0.00 C ATOM 638 CD1 LEU A 167 6.349 -3.866 3.459 1.00 0.00 C ATOM 639 CD2 LEU A 167 7.955 -4.731 1.748 1.00 0.00 C ATOM 0 H LEU A 167 4.177 -6.728 2.090 1.00 0.00 H new ATOM 0 HA LEU A 167 6.752 -7.248 1.052 1.00 0.00 H new ATOM 0 HB2 LEU A 167 5.650 -6.314 3.711 1.00 0.00 H new ATOM 0 HB3 LEU A 167 7.369 -6.572 3.491 1.00 0.00 H new ATOM 0 HG LEU A 167 5.827 -4.787 1.610 1.00 0.00 H new ATOM 0 HD11 LEU A 167 6.451 -2.871 3.026 1.00 0.00 H new ATOM 0 HD12 LEU A 167 5.345 -3.983 3.868 1.00 0.00 H new ATOM 0 HD13 LEU A 167 7.082 -3.991 4.256 1.00 0.00 H new ATOM 0 HD21 LEU A 167 8.035 -3.724 1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 167 8.728 -4.878 2.502 1.00 0.00 H new ATOM 0 HD23 LEU A 167 8.085 -5.460 0.948 1.00 0.00 H new ATOM 651 N ALA A 168 5.605 -9.360 3.288 1.00 0.00 N ATOM 652 CA ALA A 168 5.833 -10.663 3.902 1.00 0.00 C ATOM 653 C ALA A 168 5.835 -11.770 2.854 1.00 0.00 C ATOM 654 O ALA A 168 6.511 -12.788 3.014 1.00 0.00 O ATOM 655 CB ALA A 168 4.775 -10.937 4.960 1.00 0.00 C ATOM 0 H ALA A 168 4.696 -8.948 3.498 1.00 0.00 H new ATOM 0 HA ALA A 168 6.813 -10.648 4.378 1.00 0.00 H new ATOM 0 HB1 ALA A 168 4.956 -11.913 5.411 1.00 0.00 H new ATOM 0 HB2 ALA A 168 4.822 -10.167 5.730 1.00 0.00 H new ATOM 0 HB3 ALA A 168 3.788 -10.928 4.498 1.00 0.00 H new ATOM 661 N LYS A 169 5.077 -11.567 1.782 1.00 0.00 N ATOM 662 CA LYS A 169 4.993 -12.549 0.708 1.00 0.00 C ATOM 663 C LYS A 169 5.917 -12.173 -0.448 1.00 0.00 C ATOM 664 O LYS A 169 5.640 -12.487 -1.605 1.00 0.00 O ATOM 665 CB LYS A 169 3.550 -12.667 0.210 1.00 0.00 C ATOM 666 CG LYS A 169 2.852 -13.940 0.664 1.00 0.00 C ATOM 667 CD LYS A 169 1.959 -13.687 1.867 1.00 0.00 C ATOM 668 CE LYS A 169 0.657 -14.466 1.767 1.00 0.00 C ATOM 669 NZ LYS A 169 -0.453 -13.629 1.236 1.00 0.00 N ATOM 0 H LYS A 169 4.512 -10.731 1.634 1.00 0.00 H new ATOM 0 HA LYS A 169 5.313 -13.513 1.103 1.00 0.00 H new ATOM 0 HB2 LYS A 169 2.982 -11.806 0.561 1.00 0.00 H new ATOM 0 HB3 LYS A 169 3.546 -12.629 -0.879 1.00 0.00 H new ATOM 0 HG2 LYS A 169 2.255 -14.341 -0.155 1.00 0.00 H new ATOM 0 HG3 LYS A 169 3.597 -14.695 0.915 1.00 0.00 H new ATOM 0 HD2 LYS A 169 2.485 -13.971 2.778 1.00 0.00 H new ATOM 0 HD3 LYS A 169 1.742 -12.622 1.943 1.00 0.00 H new ATOM 0 HE2 LYS A 169 0.801 -15.331 1.120 1.00 0.00 H new ATOM 0 HE3 LYS A 169 0.385 -14.846 2.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -1.322 -14.198 1.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -0.608 -12.817 1.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -0.206 -13.287 0.286 1.00 0.00 H new ATOM 683 N ALA A 170 7.017 -11.501 -0.125 1.00 0.00 N ATOM 684 CA ALA A 170 7.981 -11.084 -1.136 1.00 0.00 C ATOM 685 C ALA A 170 9.052 -12.149 -1.345 1.00 0.00 C ATOM 686 O ALA A 170 9.704 -12.533 -0.351 1.00 0.00 O ATOM 687 CB ALA A 170 8.620 -9.760 -0.743 1.00 0.00 C ATOM 688 OXT ALA A 170 9.229 -12.590 -2.499 1.00 0.00 O ATOM 0 H ALA A 170 7.263 -11.234 0.828 1.00 0.00 H new ATOM 0 HA ALA A 170 7.448 -10.952 -2.078 1.00 0.00 H new ATOM 0 HB1 ALA A 170 9.338 -9.461 -1.507 1.00 0.00 H new ATOM 0 HB2 ALA A 170 7.848 -8.996 -0.652 1.00 0.00 H new ATOM 0 HB3 ALA A 170 9.133 -9.873 0.212 1.00 0.00 H new