USER MOD reduce.3.24.130724 H: found=0, std=0, add=324, rem=0, adj=5 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 Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 142 HIS : no HE2:sc= -7.53! C(o=-7.5!,f=-10!) USER MOD Single : A 143 ASN : amide:sc= 0 X(o=0,f=0.18) 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 152 THR OG1 : rot -46:sc= 1.01 USER MOD Single : A 159 THR OG1 : rot 40:sc= 0.693 USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 60 N ALA A 130 -6.979 6.009 -3.459 1.00 0.00 N ATOM 61 CA ALA A 130 -6.698 4.626 -3.094 1.00 0.00 C ATOM 62 C ALA A 130 -5.603 4.547 -2.037 1.00 0.00 C ATOM 63 O ALA A 130 -5.653 3.709 -1.136 1.00 0.00 O ATOM 64 CB ALA A 130 -6.303 3.825 -4.326 1.00 0.00 C ATOM 0 HA ALA A 130 -7.606 4.197 -2.670 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -6.096 2.794 -4.039 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -7.119 3.843 -5.049 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -5.411 4.263 -4.774 1.00 0.00 H new ATOM 70 N LEU A 131 -4.612 5.423 -2.154 1.00 0.00 N ATOM 71 CA LEU A 131 -3.501 5.454 -1.210 1.00 0.00 C ATOM 72 C LEU A 131 -3.524 6.734 -0.382 1.00 0.00 C ATOM 73 O LEU A 131 -4.141 7.725 -0.771 1.00 0.00 O ATOM 74 CB LEU A 131 -2.169 5.337 -1.957 1.00 0.00 C ATOM 75 CG LEU A 131 -1.533 3.947 -1.931 1.00 0.00 C ATOM 76 CD1 LEU A 131 -2.173 3.048 -2.978 1.00 0.00 C ATOM 77 CD2 LEU A 131 -0.032 4.045 -2.154 1.00 0.00 C ATOM 0 H LEU A 131 -4.555 6.122 -2.894 1.00 0.00 H new ATOM 0 HA LEU A 131 -3.607 4.606 -0.533 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -2.325 5.629 -2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -1.465 6.050 -1.528 1.00 0.00 H new ATOM 0 HG LEU A 131 -1.706 3.506 -0.949 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -1.708 2.063 -2.945 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -3.239 2.953 -2.773 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -2.031 3.483 -3.967 1.00 0.00 H new ATOM 0 HD21 LEU A 131 0.405 3.047 -2.132 1.00 0.00 H new ATOM 0 HD22 LEU A 131 0.163 4.506 -3.123 1.00 0.00 H new ATOM 0 HD23 LEU A 131 0.414 4.653 -1.367 1.00 0.00 H new ATOM 89 N SER A 132 -2.846 6.706 0.761 1.00 0.00 N ATOM 90 CA SER A 132 -2.788 7.866 1.642 1.00 0.00 C ATOM 91 C SER A 132 -1.420 8.541 1.562 1.00 0.00 C ATOM 92 O SER A 132 -0.423 7.901 1.225 1.00 0.00 O ATOM 93 CB SER A 132 -3.082 7.453 3.086 1.00 0.00 C ATOM 94 OG SER A 132 -3.942 6.327 3.129 1.00 0.00 O ATOM 0 H SER A 132 -2.330 5.893 1.098 1.00 0.00 H new ATOM 0 HA SER A 132 -3.546 8.578 1.315 1.00 0.00 H new ATOM 0 HB2 SER A 132 -2.148 7.221 3.599 1.00 0.00 H new ATOM 0 HB3 SER A 132 -3.541 8.286 3.620 1.00 0.00 H new ATOM 0 HG SER A 132 -4.113 6.082 4.062 1.00 0.00 H new ATOM 100 N PRO A 133 -1.355 9.847 1.875 1.00 0.00 N ATOM 101 CA PRO A 133 -0.100 10.604 1.838 1.00 0.00 C ATOM 102 C PRO A 133 1.026 9.891 2.578 1.00 0.00 C ATOM 103 O PRO A 133 2.161 9.843 2.105 1.00 0.00 O ATOM 104 CB PRO A 133 -0.458 11.914 2.540 1.00 0.00 C ATOM 105 CG PRO A 133 -1.921 12.076 2.310 1.00 0.00 C ATOM 106 CD PRO A 133 -2.495 10.686 2.290 1.00 0.00 C ATOM 0 HA PRO A 133 0.269 10.737 0.821 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -0.227 11.870 3.604 1.00 0.00 H new ATOM 0 HB3 PRO A 133 0.103 12.752 2.126 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -2.376 12.674 3.099 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -2.113 12.591 1.369 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -2.872 10.394 3.270 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -3.327 10.606 1.591 1.00 0.00 H new ATOM 114 N ALA A 134 0.702 9.338 3.743 1.00 0.00 N ATOM 115 CA ALA A 134 1.684 8.626 4.548 1.00 0.00 C ATOM 116 C ALA A 134 2.149 7.355 3.847 1.00 0.00 C ATOM 117 O ALA A 134 3.343 7.037 3.835 1.00 0.00 O ATOM 118 CB ALA A 134 1.105 8.294 5.915 1.00 0.00 C ATOM 0 H ALA A 134 -0.233 9.370 4.149 1.00 0.00 H new ATOM 0 HA ALA A 134 2.549 9.276 4.680 1.00 0.00 H new ATOM 0 HB1 ALA A 134 1.850 7.762 6.506 1.00 0.00 H new ATOM 0 HB2 ALA A 134 0.827 9.216 6.426 1.00 0.00 H new ATOM 0 HB3 ALA A 134 0.222 7.666 5.794 1.00 0.00 H new ATOM 124 N ILE A 135 1.205 6.626 3.257 1.00 0.00 N ATOM 125 CA ILE A 135 1.536 5.394 2.558 1.00 0.00 C ATOM 126 C ILE A 135 2.555 5.651 1.461 1.00 0.00 C ATOM 127 O ILE A 135 3.525 4.918 1.334 1.00 0.00 O ATOM 128 CB ILE A 135 0.304 4.721 1.930 1.00 0.00 C ATOM 129 CG1 ILE A 135 -0.802 4.542 2.971 1.00 0.00 C ATOM 130 CG2 ILE A 135 0.703 3.378 1.327 1.00 0.00 C ATOM 131 CD1 ILE A 135 -0.371 3.742 4.180 1.00 0.00 C ATOM 0 H ILE A 135 0.214 6.867 3.250 1.00 0.00 H new ATOM 0 HA ILE A 135 1.951 4.724 3.311 1.00 0.00 H new ATOM 0 HB ILE A 135 -0.084 5.361 1.137 1.00 0.00 H new ATOM 0 HG12 ILE A 135 -1.144 5.524 3.298 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -1.653 4.048 2.503 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -0.172 2.904 0.883 1.00 0.00 H new ATOM 0 HG22 ILE A 135 1.460 3.535 0.558 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.107 2.734 2.108 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -1.206 3.656 4.876 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -0.057 2.747 3.865 1.00 0.00 H new ATOM 0 HD13 ILE A 135 0.461 4.246 4.672 1.00 0.00 H new ATOM 143 N ARG A 136 2.335 6.696 0.669 1.00 0.00 N ATOM 144 CA ARG A 136 3.256 7.023 -0.412 1.00 0.00 C ATOM 145 C ARG A 136 4.684 7.052 0.113 1.00 0.00 C ATOM 146 O ARG A 136 5.622 6.648 -0.575 1.00 0.00 O ATOM 147 CB ARG A 136 2.893 8.368 -1.046 1.00 0.00 C ATOM 148 CG ARG A 136 2.137 8.237 -2.357 1.00 0.00 C ATOM 149 CD ARG A 136 2.216 9.516 -3.176 1.00 0.00 C ATOM 150 NE ARG A 136 0.958 9.806 -3.860 1.00 0.00 N ATOM 151 CZ ARG A 136 0.639 11.003 -4.348 1.00 0.00 C ATOM 152 NH1 ARG A 136 1.480 12.023 -4.225 1.00 0.00 N ATOM 153 NH2 ARG A 136 -0.525 11.180 -4.958 1.00 0.00 N ATOM 0 H ARG A 136 1.536 7.324 0.754 1.00 0.00 H new ATOM 0 HA ARG A 136 3.177 6.254 -1.180 1.00 0.00 H new ATOM 0 HB2 ARG A 136 2.288 8.940 -0.343 1.00 0.00 H new ATOM 0 HB3 ARG A 136 3.806 8.938 -1.218 1.00 0.00 H new ATOM 0 HG2 ARG A 136 2.548 7.408 -2.934 1.00 0.00 H new ATOM 0 HG3 ARG A 136 1.093 7.998 -2.154 1.00 0.00 H new ATOM 0 HD2 ARG A 136 2.474 10.350 -2.523 1.00 0.00 H new ATOM 0 HD3 ARG A 136 3.016 9.427 -3.911 1.00 0.00 H new ATOM 0 HE ARG A 136 0.285 9.047 -3.970 1.00 0.00 H new ATOM 0 HH11 ARG A 136 2.376 11.892 -3.755 1.00 0.00 H new ATOM 0 HH12 ARG A 136 1.231 12.938 -4.601 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -1.175 10.400 -5.053 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -0.770 12.097 -5.332 1.00 0.00 H new ATOM 167 N ARG A 137 4.833 7.499 1.353 1.00 0.00 N ATOM 168 CA ARG A 137 6.138 7.540 1.987 1.00 0.00 C ATOM 169 C ARG A 137 6.582 6.120 2.298 1.00 0.00 C ATOM 170 O ARG A 137 7.743 5.759 2.104 1.00 0.00 O ATOM 171 CB ARG A 137 6.086 8.368 3.272 1.00 0.00 C ATOM 172 CG ARG A 137 5.597 9.791 3.066 1.00 0.00 C ATOM 173 CD ARG A 137 5.323 10.482 4.392 1.00 0.00 C ATOM 174 NE ARG A 137 4.222 11.439 4.297 1.00 0.00 N ATOM 175 CZ ARG A 137 4.366 12.703 3.906 1.00 0.00 C ATOM 176 NH1 ARG A 137 5.561 13.169 3.561 1.00 0.00 N ATOM 177 NH2 ARG A 137 3.311 13.505 3.855 1.00 0.00 N ATOM 0 H ARG A 137 4.067 7.837 1.936 1.00 0.00 H new ATOM 0 HA ARG A 137 6.852 8.009 1.310 1.00 0.00 H new ATOM 0 HB2 ARG A 137 5.433 7.869 3.988 1.00 0.00 H new ATOM 0 HB3 ARG A 137 7.081 8.397 3.715 1.00 0.00 H new ATOM 0 HG2 ARG A 137 6.343 10.356 2.507 1.00 0.00 H new ATOM 0 HG3 ARG A 137 4.688 9.781 2.465 1.00 0.00 H new ATOM 0 HD2 ARG A 137 5.088 9.733 5.148 1.00 0.00 H new ATOM 0 HD3 ARG A 137 6.224 10.998 4.724 1.00 0.00 H new ATOM 0 HE ARG A 137 3.286 11.118 4.546 1.00 0.00 H new ATOM 0 HH11 ARG A 137 6.376 12.557 3.595 1.00 0.00 H new ATOM 0 HH12 ARG A 137 5.663 14.139 3.262 1.00 0.00 H new ATOM 0 HH21 ARG A 137 2.390 13.153 4.115 1.00 0.00 H new ATOM 0 HH22 ARG A 137 3.421 14.474 3.555 1.00 0.00 H new ATOM 191 N LEU A 138 5.636 5.315 2.774 1.00 0.00 N ATOM 192 CA LEU A 138 5.913 3.924 3.106 1.00 0.00 C ATOM 193 C LEU A 138 6.331 3.139 1.864 1.00 0.00 C ATOM 194 O LEU A 138 7.383 2.501 1.848 1.00 0.00 O ATOM 195 CB LEU A 138 4.684 3.269 3.737 1.00 0.00 C ATOM 196 CG LEU A 138 4.893 1.819 4.170 1.00 0.00 C ATOM 197 CD1 LEU A 138 5.964 1.737 5.246 1.00 0.00 C ATOM 198 CD2 LEU A 138 3.592 1.208 4.666 1.00 0.00 C ATOM 0 H LEU A 138 4.672 5.604 2.938 1.00 0.00 H new ATOM 0 HA LEU A 138 6.734 3.910 3.822 1.00 0.00 H new ATOM 0 HB2 LEU A 138 4.381 3.854 4.605 1.00 0.00 H new ATOM 0 HB3 LEU A 138 3.861 3.307 3.024 1.00 0.00 H new ATOM 0 HG LEU A 138 5.226 1.249 3.303 1.00 0.00 H new ATOM 0 HD11 LEU A 138 6.101 0.698 5.544 1.00 0.00 H new ATOM 0 HD12 LEU A 138 6.903 2.130 4.856 1.00 0.00 H new ATOM 0 HD13 LEU A 138 5.657 2.325 6.111 1.00 0.00 H new ATOM 0 HD21 LEU A 138 3.767 0.176 4.968 1.00 0.00 H new ATOM 0 HD22 LEU A 138 3.224 1.778 5.519 1.00 0.00 H new ATOM 0 HD23 LEU A 138 2.851 1.231 3.867 1.00 0.00 H new ATOM 210 N LEU A 139 5.509 3.202 0.817 1.00 0.00 N ATOM 211 CA LEU A 139 5.804 2.505 -0.427 1.00 0.00 C ATOM 212 C LEU A 139 7.122 3.002 -0.994 1.00 0.00 C ATOM 213 O LEU A 139 7.903 2.236 -1.559 1.00 0.00 O ATOM 214 CB LEU A 139 4.681 2.723 -1.442 1.00 0.00 C ATOM 215 CG LEU A 139 3.528 1.721 -1.358 1.00 0.00 C ATOM 216 CD1 LEU A 139 2.486 2.018 -2.426 1.00 0.00 C ATOM 217 CD2 LEU A 139 4.047 0.295 -1.496 1.00 0.00 C ATOM 0 H LEU A 139 4.636 3.729 0.809 1.00 0.00 H new ATOM 0 HA LEU A 139 5.882 1.437 -0.221 1.00 0.00 H new ATOM 0 HB2 LEU A 139 4.280 3.727 -1.307 1.00 0.00 H new ATOM 0 HB3 LEU A 139 5.106 2.682 -2.445 1.00 0.00 H new ATOM 0 HG LEU A 139 3.056 1.820 -0.381 1.00 0.00 H new ATOM 0 HD11 LEU A 139 1.673 1.296 -2.352 1.00 0.00 H new ATOM 0 HD12 LEU A 139 2.092 3.024 -2.280 1.00 0.00 H new ATOM 0 HD13 LEU A 139 2.945 1.947 -3.412 1.00 0.00 H new ATOM 0 HD21 LEU A 139 3.213 -0.404 -1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 139 4.545 0.181 -2.459 1.00 0.00 H new ATOM 0 HD23 LEU A 139 4.755 0.086 -0.694 1.00 0.00 H new ATOM 229 N ALA A 140 7.365 4.295 -0.818 1.00 0.00 N ATOM 230 CA ALA A 140 8.597 4.909 -1.290 1.00 0.00 C ATOM 231 C ALA A 140 9.792 4.331 -0.543 1.00 0.00 C ATOM 232 O ALA A 140 10.876 4.172 -1.105 1.00 0.00 O ATOM 233 CB ALA A 140 8.537 6.419 -1.118 1.00 0.00 C ATOM 0 H ALA A 140 6.725 4.938 -0.352 1.00 0.00 H new ATOM 0 HA ALA A 140 8.713 4.690 -2.351 1.00 0.00 H new ATOM 0 HB1 ALA A 140 9.466 6.863 -1.476 1.00 0.00 H new ATOM 0 HB2 ALA A 140 7.700 6.818 -1.691 1.00 0.00 H new ATOM 0 HB3 ALA A 140 8.402 6.660 -0.064 1.00 0.00 H new ATOM 239 N GLU A 141 9.580 4.011 0.731 1.00 0.00 N ATOM 240 CA GLU A 141 10.628 3.441 1.565 1.00 0.00 C ATOM 241 C GLU A 141 10.895 1.992 1.178 1.00 0.00 C ATOM 242 O GLU A 141 12.041 1.589 0.979 1.00 0.00 O ATOM 243 CB GLU A 141 10.234 3.518 3.041 1.00 0.00 C ATOM 244 CG GLU A 141 10.077 4.940 3.556 1.00 0.00 C ATOM 245 CD GLU A 141 10.926 5.215 4.783 1.00 0.00 C ATOM 246 OE1 GLU A 141 10.490 4.863 5.898 1.00 0.00 O ATOM 247 OE2 GLU A 141 12.028 5.782 4.626 1.00 0.00 O ATOM 0 H GLU A 141 8.687 4.138 1.207 1.00 0.00 H new ATOM 0 HA GLU A 141 11.539 4.019 1.408 1.00 0.00 H new ATOM 0 HB2 GLU A 141 9.296 2.982 3.186 1.00 0.00 H new ATOM 0 HB3 GLU A 141 10.989 3.006 3.637 1.00 0.00 H new ATOM 0 HG2 GLU A 141 10.349 5.640 2.766 1.00 0.00 H new ATOM 0 HG3 GLU A 141 9.029 5.122 3.796 1.00 0.00 H new ATOM 254 N HIS A 142 9.824 1.217 1.072 1.00 0.00 N ATOM 255 CA HIS A 142 9.928 -0.191 0.704 1.00 0.00 C ATOM 256 C HIS A 142 10.322 -0.344 -0.763 1.00 0.00 C ATOM 257 O HIS A 142 10.760 -1.413 -1.187 1.00 0.00 O ATOM 258 CB HIS A 142 8.600 -0.907 0.959 1.00 0.00 C ATOM 259 CG HIS A 142 8.254 -1.042 2.411 1.00 0.00 C ATOM 260 ND1 HIS A 142 8.635 -2.120 3.180 1.00 0.00 N ATOM 261 CD2 HIS A 142 7.546 -0.229 3.231 1.00 0.00 C ATOM 262 CE1 HIS A 142 8.176 -1.964 4.410 1.00 0.00 C ATOM 263 NE2 HIS A 142 7.514 -0.825 4.466 1.00 0.00 N ATOM 0 H HIS A 142 8.870 1.539 1.236 1.00 0.00 H new ATOM 0 HA HIS A 142 10.704 -0.643 1.322 1.00 0.00 H new ATOM 0 HB2 HIS A 142 7.802 -0.363 0.454 1.00 0.00 H new ATOM 0 HB3 HIS A 142 8.642 -1.900 0.511 1.00 0.00 H new ATOM 0 HD1 HIS A 142 9.185 -2.914 2.852 1.00 0.00 H new ATOM 0 HD2 HIS A 142 7.091 0.713 2.962 1.00 0.00 H new ATOM 0 HE1 HIS A 142 8.319 -2.653 5.230 1.00 0.00 H new ATOM 272 N ASN A 143 10.159 0.729 -1.537 1.00 0.00 N ATOM 273 CA ASN A 143 10.494 0.710 -2.956 1.00 0.00 C ATOM 274 C ASN A 143 9.578 -0.246 -3.714 1.00 0.00 C ATOM 275 O ASN A 143 10.040 -1.161 -4.397 1.00 0.00 O ATOM 276 CB ASN A 143 11.959 0.310 -3.155 1.00 0.00 C ATOM 277 CG ASN A 143 12.870 1.512 -3.310 1.00 0.00 C ATOM 278 OD1 ASN A 143 12.730 2.508 -2.600 1.00 0.00 O ATOM 279 ND2 ASN A 143 13.810 1.424 -4.243 1.00 0.00 N ATOM 0 H ASN A 143 9.797 1.622 -1.202 1.00 0.00 H new ATOM 0 HA ASN A 143 10.349 1.714 -3.354 1.00 0.00 H new ATOM 0 HB2 ASN A 143 12.289 -0.285 -2.304 1.00 0.00 H new ATOM 0 HB3 ASN A 143 12.043 -0.323 -4.038 1.00 0.00 H new ATOM 0 HD21 ASN A 143 14.453 2.201 -4.394 1.00 0.00 H new ATOM 0 HD22 ASN A 143 13.890 0.579 -4.809 1.00 0.00 H new ATOM 286 N LEU A 144 8.272 -0.029 -3.589 1.00 0.00 N ATOM 287 CA LEU A 144 7.289 -0.872 -4.262 1.00 0.00 C ATOM 288 C LEU A 144 6.343 -0.035 -5.115 1.00 0.00 C ATOM 289 O LEU A 144 6.451 1.191 -5.163 1.00 0.00 O ATOM 290 CB LEU A 144 6.485 -1.680 -3.242 1.00 0.00 C ATOM 291 CG LEU A 144 7.260 -2.101 -1.994 1.00 0.00 C ATOM 292 CD1 LEU A 144 6.324 -2.720 -0.968 1.00 0.00 C ATOM 293 CD2 LEU A 144 8.372 -3.072 -2.360 1.00 0.00 C ATOM 0 H LEU A 144 7.870 0.723 -3.029 1.00 0.00 H new ATOM 0 HA LEU A 144 7.831 -1.558 -4.913 1.00 0.00 H new ATOM 0 HB2 LEU A 144 5.622 -1.090 -2.933 1.00 0.00 H new ATOM 0 HB3 LEU A 144 6.101 -2.575 -3.732 1.00 0.00 H new ATOM 0 HG LEU A 144 7.712 -1.213 -1.553 1.00 0.00 H new ATOM 0 HD11 LEU A 144 6.894 -3.014 -0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 144 5.564 -1.992 -0.683 1.00 0.00 H new ATOM 0 HD13 LEU A 144 5.843 -3.598 -1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 144 8.914 -3.361 -1.459 1.00 0.00 H new ATOM 0 HD22 LEU A 144 7.942 -3.959 -2.825 1.00 0.00 H new ATOM 0 HD23 LEU A 144 9.059 -2.593 -3.058 1.00 0.00 H new ATOM 305 N ASP A 145 5.418 -0.708 -5.788 1.00 0.00 N ATOM 306 CA ASP A 145 4.448 -0.035 -6.644 1.00 0.00 C ATOM 307 C ASP A 145 3.024 -0.298 -6.166 1.00 0.00 C ATOM 308 O ASP A 145 2.590 -1.448 -6.082 1.00 0.00 O ATOM 309 CB ASP A 145 4.604 -0.501 -8.093 1.00 0.00 C ATOM 310 CG ASP A 145 4.322 0.605 -9.091 1.00 0.00 C ATOM 311 OD1 ASP A 145 3.501 1.493 -8.776 1.00 0.00 O ATOM 312 OD2 ASP A 145 4.921 0.583 -10.186 1.00 0.00 O ATOM 0 H ASP A 145 5.319 -1.723 -5.758 1.00 0.00 H new ATOM 0 HA ASP A 145 4.638 1.037 -6.591 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.617 -0.873 -8.245 1.00 0.00 H new ATOM 0 HB3 ASP A 145 3.927 -1.335 -8.278 1.00 0.00 H new ATOM 317 N ALA A 146 2.300 0.772 -5.852 1.00 0.00 N ATOM 318 CA ALA A 146 0.925 0.656 -5.381 1.00 0.00 C ATOM 319 C ALA A 146 0.069 -0.143 -6.359 1.00 0.00 C ATOM 320 O ALA A 146 -0.699 -1.017 -5.957 1.00 0.00 O ATOM 321 CB ALA A 146 0.325 2.038 -5.162 1.00 0.00 C ATOM 0 H ALA A 146 2.644 1.730 -5.916 1.00 0.00 H new ATOM 0 HA ALA A 146 0.939 0.120 -4.432 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -0.702 1.937 -4.810 1.00 0.00 H new ATOM 0 HB2 ALA A 146 0.912 2.576 -4.418 1.00 0.00 H new ATOM 0 HB3 ALA A 146 0.334 2.592 -6.101 1.00 0.00 H new ATOM 327 N SER A 147 0.208 0.162 -7.645 1.00 0.00 N ATOM 328 CA SER A 147 -0.552 -0.529 -8.682 1.00 0.00 C ATOM 329 C SER A 147 -0.239 -2.025 -8.690 1.00 0.00 C ATOM 330 O SER A 147 -1.010 -2.824 -9.221 1.00 0.00 O ATOM 331 CB SER A 147 -0.247 0.075 -10.053 1.00 0.00 C ATOM 332 OG SER A 147 -1.306 -0.168 -10.964 1.00 0.00 O ATOM 0 H SER A 147 0.839 0.883 -7.995 1.00 0.00 H new ATOM 0 HA SER A 147 -1.612 -0.403 -8.463 1.00 0.00 H new ATOM 0 HB2 SER A 147 -0.088 1.149 -9.954 1.00 0.00 H new ATOM 0 HB3 SER A 147 0.678 -0.350 -10.444 1.00 0.00 H new ATOM 0 HG SER A 147 -1.088 0.229 -11.833 1.00 0.00 H new ATOM 338 N ALA A 148 0.896 -2.397 -8.103 1.00 0.00 N ATOM 339 CA ALA A 148 1.303 -3.795 -8.051 1.00 0.00 C ATOM 340 C ALA A 148 0.726 -4.494 -6.824 1.00 0.00 C ATOM 341 O ALA A 148 0.605 -5.720 -6.797 1.00 0.00 O ATOM 342 CB ALA A 148 2.821 -3.901 -8.055 1.00 0.00 C ATOM 0 H ALA A 148 1.547 -1.750 -7.658 1.00 0.00 H new ATOM 0 HA ALA A 148 0.910 -4.294 -8.937 1.00 0.00 H new ATOM 0 HB1 ALA A 148 3.113 -4.951 -8.016 1.00 0.00 H new ATOM 0 HB2 ALA A 148 3.215 -3.449 -8.965 1.00 0.00 H new ATOM 0 HB3 ALA A 148 3.224 -3.380 -7.187 1.00 0.00 H new ATOM 348 N ILE A 149 0.374 -3.712 -5.808 1.00 0.00 N ATOM 349 CA ILE A 149 -0.186 -4.261 -4.579 1.00 0.00 C ATOM 350 C ILE A 149 -1.705 -4.136 -4.562 1.00 0.00 C ATOM 351 O ILE A 149 -2.280 -3.326 -5.290 1.00 0.00 O ATOM 352 CB ILE A 149 0.388 -3.558 -3.333 1.00 0.00 C ATOM 353 CG1 ILE A 149 1.894 -3.342 -3.488 1.00 0.00 C ATOM 354 CG2 ILE A 149 0.090 -4.371 -2.083 1.00 0.00 C ATOM 355 CD1 ILE A 149 2.504 -2.515 -2.375 1.00 0.00 C ATOM 0 H ILE A 149 0.467 -2.696 -5.812 1.00 0.00 H new ATOM 0 HA ILE A 149 0.091 -5.315 -4.552 1.00 0.00 H new ATOM 0 HB ILE A 149 -0.090 -2.583 -3.232 1.00 0.00 H new ATOM 0 HG12 ILE A 149 2.390 -4.312 -3.523 1.00 0.00 H new ATOM 0 HG13 ILE A 149 2.086 -2.851 -4.442 1.00 0.00 H new ATOM 0 HG21 ILE A 149 0.501 -3.862 -1.211 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -0.989 -4.476 -1.966 1.00 0.00 H new ATOM 0 HG23 ILE A 149 0.543 -5.358 -2.174 1.00 0.00 H new ATOM 0 HD11 ILE A 149 3.574 -2.402 -2.550 1.00 0.00 H new ATOM 0 HD12 ILE A 149 2.034 -1.532 -2.353 1.00 0.00 H new ATOM 0 HD13 ILE A 149 2.343 -3.015 -1.420 1.00 0.00 H new ATOM 367 N LYS A 150 -2.350 -4.942 -3.725 1.00 0.00 N ATOM 368 CA LYS A 150 -3.804 -4.922 -3.611 1.00 0.00 C ATOM 369 C LYS A 150 -4.242 -4.124 -2.388 1.00 0.00 C ATOM 370 O LYS A 150 -3.487 -3.978 -1.427 1.00 0.00 O ATOM 371 CB LYS A 150 -4.349 -6.349 -3.525 1.00 0.00 C ATOM 372 CG LYS A 150 -4.196 -7.137 -4.818 1.00 0.00 C ATOM 373 CD LYS A 150 -3.501 -8.469 -4.583 1.00 0.00 C ATOM 374 CE LYS A 150 -3.375 -9.266 -5.871 1.00 0.00 C ATOM 375 NZ LYS A 150 -2.925 -10.663 -5.619 1.00 0.00 N ATOM 0 H LYS A 150 -1.889 -5.617 -3.116 1.00 0.00 H new ATOM 0 HA LYS A 150 -4.207 -4.439 -4.501 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -3.834 -6.878 -2.723 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -5.404 -6.311 -3.255 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -5.178 -7.311 -5.257 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -3.625 -6.550 -5.537 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -2.510 -8.295 -4.163 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -4.061 -9.048 -3.849 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -4.337 -9.282 -6.384 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -2.667 -8.771 -6.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -2.852 -11.172 -6.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -1.995 -10.650 -5.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -3.613 -11.144 -5.005 1.00 0.00 H new ATOM 389 N GLY A 151 -5.466 -3.607 -2.431 1.00 0.00 N ATOM 390 CA GLY A 151 -5.981 -2.828 -1.320 1.00 0.00 C ATOM 391 C GLY A 151 -7.338 -3.316 -0.849 1.00 0.00 C ATOM 392 O GLY A 151 -8.213 -3.617 -1.662 1.00 0.00 O ATOM 0 H GLY A 151 -6.110 -3.714 -3.215 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -5.275 -2.872 -0.491 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -6.058 -1.782 -1.618 1.00 0.00 H new ATOM 396 N THR A 152 -7.513 -3.394 0.466 1.00 0.00 N ATOM 397 CA THR A 152 -8.774 -3.847 1.044 1.00 0.00 C ATOM 398 C THR A 152 -9.392 -2.766 1.927 1.00 0.00 C ATOM 399 O THR A 152 -10.188 -3.062 2.819 1.00 0.00 O ATOM 400 CB THR A 152 -8.554 -5.124 1.857 1.00 0.00 C ATOM 401 OG1 THR A 152 -9.786 -5.626 2.346 1.00 0.00 O ATOM 402 CG2 THR A 152 -7.636 -4.926 3.045 1.00 0.00 C ATOM 0 H THR A 152 -6.798 -3.150 1.152 1.00 0.00 H new ATOM 0 HA THR A 152 -9.464 -4.057 0.227 1.00 0.00 H new ATOM 0 HB THR A 152 -8.086 -5.828 1.169 1.00 0.00 H new ATOM 0 HG1 THR A 152 -10.307 -4.892 2.734 1.00 0.00 H new ATOM 0 HG21 THR A 152 -7.522 -5.870 3.578 1.00 0.00 H new ATOM 0 HG22 THR A 152 -6.660 -4.585 2.698 1.00 0.00 H new ATOM 0 HG23 THR A 152 -8.064 -4.180 3.715 1.00 0.00 H new ATOM 410 N GLY A 153 -9.023 -1.514 1.673 1.00 0.00 N ATOM 411 CA GLY A 153 -9.555 -0.412 2.453 1.00 0.00 C ATOM 412 C GLY A 153 -11.049 -0.237 2.268 1.00 0.00 C ATOM 413 O GLY A 153 -11.799 -1.212 2.261 1.00 0.00 O ATOM 0 H GLY A 153 -8.366 -1.244 0.941 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.340 -0.581 3.508 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -9.047 0.509 2.168 1.00 0.00 H new ATOM 417 N VAL A 154 -11.482 1.011 2.115 1.00 0.00 N ATOM 418 CA VAL A 154 -12.897 1.310 1.929 1.00 0.00 C ATOM 419 C VAL A 154 -13.239 1.453 0.450 1.00 0.00 C ATOM 420 O VAL A 154 -13.299 2.562 -0.080 1.00 0.00 O ATOM 421 CB VAL A 154 -13.302 2.601 2.665 1.00 0.00 C ATOM 422 CG1 VAL A 154 -14.811 2.785 2.631 1.00 0.00 C ATOM 423 CG2 VAL A 154 -12.790 2.581 4.097 1.00 0.00 C ATOM 0 H VAL A 154 -10.874 1.830 2.116 1.00 0.00 H new ATOM 0 HA VAL A 154 -13.454 0.472 2.349 1.00 0.00 H new ATOM 0 HB VAL A 154 -12.846 3.448 2.153 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -15.078 3.702 3.156 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -15.147 2.849 1.596 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -15.292 1.936 3.117 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -13.085 3.501 4.602 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -13.214 1.726 4.623 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -11.703 2.502 4.094 1.00 0.00 H new ATOM 433 N GLY A 155 -13.463 0.322 -0.212 1.00 0.00 N ATOM 434 CA GLY A 155 -13.798 0.342 -1.624 1.00 0.00 C ATOM 435 C GLY A 155 -12.585 0.141 -2.512 1.00 0.00 C ATOM 436 O GLY A 155 -12.547 0.628 -3.642 1.00 0.00 O ATOM 0 H GLY A 155 -13.418 -0.608 0.204 1.00 0.00 H new ATOM 0 HA2 GLY A 155 -14.530 -0.439 -1.832 1.00 0.00 H new ATOM 0 HA3 GLY A 155 -14.270 1.294 -1.869 1.00 0.00 H new ATOM 440 N GLY A 156 -11.593 -0.580 -2.001 1.00 0.00 N ATOM 441 CA GLY A 156 -10.388 -0.832 -2.770 1.00 0.00 C ATOM 442 C GLY A 156 -9.325 0.225 -2.545 1.00 0.00 C ATOM 443 O GLY A 156 -9.062 1.048 -3.422 1.00 0.00 O ATOM 0 H GLY A 156 -11.601 -0.994 -1.069 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.987 -1.809 -2.501 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -10.639 -0.871 -3.830 1.00 0.00 H new ATOM 447 N ARG A 157 -8.713 0.203 -1.365 1.00 0.00 N ATOM 448 CA ARG A 157 -7.673 1.167 -1.026 1.00 0.00 C ATOM 449 C ARG A 157 -6.474 0.471 -0.389 1.00 0.00 C ATOM 450 O ARG A 157 -6.632 -0.464 0.397 1.00 0.00 O ATOM 451 CB ARG A 157 -8.222 2.233 -0.074 1.00 0.00 C ATOM 452 CG ARG A 157 -9.629 2.696 -0.422 1.00 0.00 C ATOM 453 CD ARG A 157 -9.772 4.206 -0.297 1.00 0.00 C ATOM 454 NE ARG A 157 -10.701 4.581 0.766 1.00 0.00 N ATOM 455 CZ ARG A 157 -11.286 5.774 0.854 1.00 0.00 C ATOM 456 NH1 ARG A 157 -11.040 6.710 -0.055 1.00 0.00 N ATOM 457 NH2 ARG A 157 -12.119 6.031 1.852 1.00 0.00 N ATOM 0 H ARG A 157 -8.919 -0.472 -0.628 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.346 1.648 -1.948 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -8.220 1.837 0.941 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -7.553 3.094 -0.082 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -9.871 2.391 -1.440 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -10.346 2.207 0.237 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -8.796 4.647 -0.098 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -10.120 4.617 -1.245 1.00 0.00 H new ATOM 0 HE ARG A 157 -10.914 3.888 1.483 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -10.400 6.517 -0.826 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -11.491 7.622 0.017 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -12.312 5.315 2.552 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -12.567 6.945 1.920 1.00 0.00 H new ATOM 471 N LEU A 158 -5.276 0.932 -0.732 1.00 0.00 N ATOM 472 CA LEU A 158 -4.050 0.355 -0.194 1.00 0.00 C ATOM 473 C LEU A 158 -3.840 0.779 1.256 1.00 0.00 C ATOM 474 O LEU A 158 -3.736 1.968 1.556 1.00 0.00 O ATOM 475 CB LEU A 158 -2.849 0.781 -1.042 1.00 0.00 C ATOM 476 CG LEU A 158 -1.704 -0.232 -1.108 1.00 0.00 C ATOM 477 CD1 LEU A 158 -1.274 -0.652 0.287 1.00 0.00 C ATOM 478 CD2 LEU A 158 -2.112 -1.448 -1.925 1.00 0.00 C ATOM 0 H LEU A 158 -5.128 1.705 -1.381 1.00 0.00 H new ATOM 0 HA LEU A 158 -4.143 -0.731 -0.226 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -3.194 0.981 -2.056 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -2.460 1.719 -0.646 1.00 0.00 H new ATOM 0 HG LEU A 158 -0.856 0.247 -1.598 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -0.459 -1.372 0.215 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -0.937 0.223 0.843 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -2.117 -1.109 0.806 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -1.285 -2.157 -1.960 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -2.977 -1.923 -1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -2.367 -1.137 -2.938 1.00 0.00 H new ATOM 490 N THR A 159 -3.775 -0.201 2.150 1.00 0.00 N ATOM 491 CA THR A 159 -3.573 0.069 3.570 1.00 0.00 C ATOM 492 C THR A 159 -2.252 -0.524 4.051 1.00 0.00 C ATOM 493 O THR A 159 -1.660 -1.374 3.384 1.00 0.00 O ATOM 494 CB THR A 159 -4.733 -0.501 4.390 1.00 0.00 C ATOM 495 OG1 THR A 159 -5.356 -1.570 3.701 1.00 0.00 O ATOM 496 CG2 THR A 159 -5.800 0.523 4.710 1.00 0.00 C ATOM 0 H THR A 159 -3.859 -1.190 1.917 1.00 0.00 H new ATOM 0 HA THR A 159 -3.538 1.149 3.709 1.00 0.00 H new ATOM 0 HB THR A 159 -4.287 -0.840 5.325 1.00 0.00 H new ATOM 0 HG1 THR A 159 -4.673 -2.119 3.262 1.00 0.00 H new ATOM 0 HG21 THR A 159 -6.592 0.053 5.293 1.00 0.00 H new ATOM 0 HG22 THR A 159 -5.361 1.338 5.285 1.00 0.00 H new ATOM 0 HG23 THR A 159 -6.216 0.917 3.783 1.00 0.00 H new ATOM 504 N ARG A 160 -1.796 -0.073 5.218 1.00 0.00 N ATOM 505 CA ARG A 160 -0.544 -0.561 5.786 1.00 0.00 C ATOM 506 C ARG A 160 -0.573 -2.080 5.913 1.00 0.00 C ATOM 507 O ARG A 160 0.445 -2.749 5.734 1.00 0.00 O ATOM 508 CB ARG A 160 -0.298 0.074 7.155 1.00 0.00 C ATOM 509 CG ARG A 160 1.173 0.272 7.480 1.00 0.00 C ATOM 510 CD ARG A 160 1.363 1.246 8.630 1.00 0.00 C ATOM 511 NE ARG A 160 0.833 2.572 8.320 1.00 0.00 N ATOM 512 CZ ARG A 160 0.537 3.487 9.241 1.00 0.00 C ATOM 513 NH1 ARG A 160 0.717 3.224 10.530 1.00 0.00 N ATOM 514 NH2 ARG A 160 0.059 4.667 8.872 1.00 0.00 N ATOM 0 H ARG A 160 -2.274 0.627 5.786 1.00 0.00 H new ATOM 0 HA ARG A 160 0.270 -0.281 5.117 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -0.803 1.039 7.194 1.00 0.00 H new ATOM 0 HB3 ARG A 160 -0.750 -0.553 7.923 1.00 0.00 H new ATOM 0 HG2 ARG A 160 1.622 -0.687 7.736 1.00 0.00 H new ATOM 0 HG3 ARG A 160 1.695 0.643 6.598 1.00 0.00 H new ATOM 0 HD2 ARG A 160 0.868 0.857 9.520 1.00 0.00 H new ATOM 0 HD3 ARG A 160 2.424 1.326 8.865 1.00 0.00 H new ATOM 0 HE ARG A 160 0.681 2.811 7.340 1.00 0.00 H new ATOM 0 HH11 ARG A 160 1.084 2.317 10.819 1.00 0.00 H new ATOM 0 HH12 ARG A 160 0.489 3.929 11.231 1.00 0.00 H new ATOM 0 HH21 ARG A 160 -0.082 4.874 7.883 1.00 0.00 H new ATOM 0 HH22 ARG A 160 -0.168 5.368 9.577 1.00 0.00 H new ATOM 528 N GLU A 161 -1.751 -2.615 6.205 1.00 0.00 N ATOM 529 CA GLU A 161 -1.921 -4.055 6.336 1.00 0.00 C ATOM 530 C GLU A 161 -1.666 -4.735 4.997 1.00 0.00 C ATOM 531 O GLU A 161 -1.095 -5.824 4.938 1.00 0.00 O ATOM 532 CB GLU A 161 -3.330 -4.385 6.833 1.00 0.00 C ATOM 533 CG GLU A 161 -3.683 -3.716 8.151 1.00 0.00 C ATOM 534 CD GLU A 161 -3.468 -4.628 9.343 1.00 0.00 C ATOM 535 OE1 GLU A 161 -4.374 -5.432 9.646 1.00 0.00 O ATOM 536 OE2 GLU A 161 -2.394 -4.537 9.975 1.00 0.00 O ATOM 0 H GLU A 161 -2.602 -2.074 6.355 1.00 0.00 H new ATOM 0 HA GLU A 161 -1.200 -4.425 7.065 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -4.053 -4.082 6.076 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -3.422 -5.465 6.947 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -3.078 -2.817 8.272 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -4.725 -3.397 8.125 1.00 0.00 H new ATOM 543 N ASP A 162 -2.090 -4.078 3.920 1.00 0.00 N ATOM 544 CA ASP A 162 -1.906 -4.612 2.578 1.00 0.00 C ATOM 545 C ASP A 162 -0.425 -4.676 2.225 1.00 0.00 C ATOM 546 O ASP A 162 0.074 -5.712 1.784 1.00 0.00 O ATOM 547 CB ASP A 162 -2.649 -3.747 1.558 1.00 0.00 C ATOM 548 CG ASP A 162 -4.149 -3.962 1.600 1.00 0.00 C ATOM 549 OD1 ASP A 162 -4.584 -5.131 1.534 1.00 0.00 O ATOM 550 OD2 ASP A 162 -4.888 -2.960 1.699 1.00 0.00 O ATOM 0 H ASP A 162 -2.563 -3.175 3.953 1.00 0.00 H new ATOM 0 HA ASP A 162 -2.314 -5.622 2.552 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -2.430 -2.696 1.749 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -2.280 -3.973 0.557 1.00 0.00 H new ATOM 555 N VAL A 163 0.275 -3.564 2.426 1.00 0.00 N ATOM 556 CA VAL A 163 1.700 -3.499 2.133 1.00 0.00 C ATOM 557 C VAL A 163 2.476 -4.506 2.976 1.00 0.00 C ATOM 558 O VAL A 163 3.485 -5.054 2.533 1.00 0.00 O ATOM 559 CB VAL A 163 2.266 -2.088 2.385 1.00 0.00 C ATOM 560 CG1 VAL A 163 3.729 -2.011 1.970 1.00 0.00 C ATOM 561 CG2 VAL A 163 1.443 -1.042 1.647 1.00 0.00 C ATOM 0 H VAL A 163 -0.122 -2.698 2.790 1.00 0.00 H new ATOM 0 HA VAL A 163 1.818 -3.742 1.077 1.00 0.00 H new ATOM 0 HB VAL A 163 2.205 -1.882 3.454 1.00 0.00 H new ATOM 0 HG11 VAL A 163 4.108 -1.006 2.157 1.00 0.00 H new ATOM 0 HG12 VAL A 163 4.309 -2.731 2.547 1.00 0.00 H new ATOM 0 HG13 VAL A 163 3.819 -2.241 0.908 1.00 0.00 H new ATOM 0 HG21 VAL A 163 1.858 -0.052 1.837 1.00 0.00 H new ATOM 0 HG22 VAL A 163 1.469 -1.247 0.577 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.412 -1.077 1.998 1.00 0.00 H new ATOM 571 N GLU A 164 1.999 -4.748 4.193 1.00 0.00 N ATOM 572 CA GLU A 164 2.652 -5.691 5.095 1.00 0.00 C ATOM 573 C GLU A 164 2.547 -7.116 4.559 1.00 0.00 C ATOM 574 O GLU A 164 3.540 -7.840 4.498 1.00 0.00 O ATOM 575 CB GLU A 164 2.030 -5.612 6.491 1.00 0.00 C ATOM 576 CG GLU A 164 2.603 -4.497 7.349 1.00 0.00 C ATOM 577 CD GLU A 164 1.950 -4.420 8.715 1.00 0.00 C ATOM 578 OE1 GLU A 164 0.782 -3.981 8.791 1.00 0.00 O ATOM 579 OE2 GLU A 164 2.606 -4.797 9.709 1.00 0.00 O ATOM 0 H GLU A 164 1.164 -4.305 4.577 1.00 0.00 H new ATOM 0 HA GLU A 164 3.706 -5.422 5.160 1.00 0.00 H new ATOM 0 HB2 GLU A 164 0.954 -5.467 6.393 1.00 0.00 H new ATOM 0 HB3 GLU A 164 2.178 -6.564 7.000 1.00 0.00 H new ATOM 0 HG2 GLU A 164 3.675 -4.651 7.471 1.00 0.00 H new ATOM 0 HG3 GLU A 164 2.475 -3.545 6.834 1.00 0.00 H new ATOM 586 N LYS A 165 1.339 -7.510 4.167 1.00 0.00 N ATOM 587 CA LYS A 165 1.112 -8.847 3.633 1.00 0.00 C ATOM 588 C LYS A 165 1.896 -9.051 2.341 1.00 0.00 C ATOM 589 O LYS A 165 2.387 -10.147 2.067 1.00 0.00 O ATOM 590 CB LYS A 165 -0.380 -9.075 3.380 1.00 0.00 C ATOM 591 CG LYS A 165 -1.228 -9.042 4.642 1.00 0.00 C ATOM 592 CD LYS A 165 -0.647 -9.929 5.733 1.00 0.00 C ATOM 593 CE LYS A 165 -1.697 -10.301 6.768 1.00 0.00 C ATOM 594 NZ LYS A 165 -1.151 -10.260 8.153 1.00 0.00 N ATOM 0 H LYS A 165 0.505 -6.924 4.209 1.00 0.00 H new ATOM 0 HA LYS A 165 1.460 -9.571 4.370 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -0.743 -8.313 2.690 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -0.513 -10.039 2.889 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -1.299 -8.017 5.006 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -2.241 -9.369 4.408 1.00 0.00 H new ATOM 0 HD2 LYS A 165 -0.238 -10.835 5.287 1.00 0.00 H new ATOM 0 HD3 LYS A 165 0.180 -9.413 6.221 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -2.542 -9.616 6.690 1.00 0.00 H new ATOM 0 HE3 LYS A 165 -2.077 -11.301 6.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -1.898 -10.520 8.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -0.361 -10.932 8.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 -0.812 -9.300 8.364 1.00 0.00 H new ATOM 608 N TRP A 166 2.011 -7.990 1.552 1.00 0.00 N ATOM 609 CA TRP A 166 2.738 -8.051 0.290 1.00 0.00 C ATOM 610 C TRP A 166 4.235 -8.201 0.534 1.00 0.00 C ATOM 611 O TRP A 166 4.904 -9.001 -0.118 1.00 0.00 O ATOM 612 CB TRP A 166 2.470 -6.793 -0.538 1.00 0.00 C ATOM 613 CG TRP A 166 3.148 -6.805 -1.875 1.00 0.00 C ATOM 614 CD1 TRP A 166 4.404 -6.353 -2.161 1.00 0.00 C ATOM 615 CD2 TRP A 166 2.606 -7.294 -3.107 1.00 0.00 C ATOM 616 NE1 TRP A 166 4.677 -6.531 -3.496 1.00 0.00 N ATOM 617 CE2 TRP A 166 3.589 -7.107 -4.097 1.00 0.00 C ATOM 618 CE3 TRP A 166 1.386 -7.872 -3.468 1.00 0.00 C ATOM 619 CZ2 TRP A 166 3.387 -7.477 -5.425 1.00 0.00 C ATOM 620 CZ3 TRP A 166 1.188 -8.240 -4.787 1.00 0.00 C ATOM 621 CH2 TRP A 166 2.184 -8.041 -5.750 1.00 0.00 C ATOM 0 H TRP A 166 1.610 -7.076 1.764 1.00 0.00 H new ATOM 0 HA TRP A 166 2.387 -8.923 -0.262 1.00 0.00 H new ATOM 0 HB2 TRP A 166 1.395 -6.686 -0.685 1.00 0.00 H new ATOM 0 HB3 TRP A 166 2.804 -5.920 0.023 1.00 0.00 H new ATOM 0 HD1 TRP A 166 5.084 -5.919 -1.443 1.00 0.00 H new ATOM 0 HE1 TRP A 166 5.547 -6.276 -3.963 1.00 0.00 H new ATOM 0 HE3 TRP A 166 0.612 -8.029 -2.731 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 4.153 -7.324 -6.171 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 0.250 -8.688 -5.078 1.00 0.00 H new ATOM 0 HH2 TRP A 166 1.999 -8.339 -6.771 1.00 0.00 H new ATOM 632 N LEU A 167 4.755 -7.424 1.479 1.00 0.00 N ATOM 633 CA LEU A 167 6.174 -7.469 1.810 1.00 0.00 C ATOM 634 C LEU A 167 6.565 -8.843 2.343 1.00 0.00 C ATOM 635 O LEU A 167 7.628 -9.369 2.016 1.00 0.00 O ATOM 636 CB LEU A 167 6.510 -6.392 2.842 1.00 0.00 C ATOM 637 CG LEU A 167 6.531 -4.962 2.300 1.00 0.00 C ATOM 638 CD1 LEU A 167 6.200 -3.969 3.403 1.00 0.00 C ATOM 639 CD2 LEU A 167 7.886 -4.647 1.683 1.00 0.00 C ATOM 0 H LEU A 167 4.215 -6.756 2.029 1.00 0.00 H new ATOM 0 HA LEU A 167 6.742 -7.280 0.899 1.00 0.00 H new ATOM 0 HB2 LEU A 167 5.783 -6.447 3.652 1.00 0.00 H new ATOM 0 HB3 LEU A 167 7.486 -6.615 3.274 1.00 0.00 H new ATOM 0 HG LEU A 167 5.772 -4.876 1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 167 6.220 -2.957 2.999 1.00 0.00 H new ATOM 0 HD12 LEU A 167 5.207 -4.183 3.799 1.00 0.00 H new ATOM 0 HD13 LEU A 167 6.936 -4.055 4.203 1.00 0.00 H new ATOM 0 HD21 LEU A 167 7.884 -3.626 1.302 1.00 0.00 H new ATOM 0 HD22 LEU A 167 8.663 -4.750 2.440 1.00 0.00 H new ATOM 0 HD23 LEU A 167 8.083 -5.339 0.864 1.00 0.00 H new ATOM 651 N ALA A 168 5.696 -9.416 3.167 1.00 0.00 N ATOM 652 CA ALA A 168 5.945 -10.728 3.748 1.00 0.00 C ATOM 653 C ALA A 168 5.788 -11.830 2.706 1.00 0.00 C ATOM 654 O ALA A 168 6.459 -12.861 2.772 1.00 0.00 O ATOM 655 CB ALA A 168 5.006 -10.971 4.920 1.00 0.00 C ATOM 0 H ALA A 168 4.812 -8.992 3.448 1.00 0.00 H new ATOM 0 HA ALA A 168 6.974 -10.749 4.108 1.00 0.00 H new ATOM 0 HB1 ALA A 168 5.202 -11.955 5.345 1.00 0.00 H new ATOM 0 HB2 ALA A 168 5.169 -10.208 5.681 1.00 0.00 H new ATOM 0 HB3 ALA A 168 3.973 -10.925 4.574 1.00 0.00 H new ATOM 661 N LYS A 169 4.897 -11.607 1.745 1.00 0.00 N ATOM 662 CA LYS A 169 4.652 -12.581 0.688 1.00 0.00 C ATOM 663 C LYS A 169 5.091 -12.035 -0.668 1.00 0.00 C ATOM 664 O LYS A 169 4.452 -12.295 -1.688 1.00 0.00 O ATOM 665 CB LYS A 169 3.169 -12.954 0.644 1.00 0.00 C ATOM 666 CG LYS A 169 2.875 -14.175 -0.214 1.00 0.00 C ATOM 667 CD LYS A 169 1.805 -13.884 -1.256 1.00 0.00 C ATOM 668 CE LYS A 169 2.158 -14.494 -2.603 1.00 0.00 C ATOM 669 NZ LYS A 169 1.511 -15.822 -2.798 1.00 0.00 N ATOM 0 H LYS A 169 4.333 -10.760 1.677 1.00 0.00 H new ATOM 0 HA LYS A 169 5.238 -13.473 0.907 1.00 0.00 H new ATOM 0 HB2 LYS A 169 2.819 -13.141 1.659 1.00 0.00 H new ATOM 0 HB3 LYS A 169 2.601 -12.106 0.262 1.00 0.00 H new ATOM 0 HG2 LYS A 169 3.789 -14.499 -0.711 1.00 0.00 H new ATOM 0 HG3 LYS A 169 2.549 -14.998 0.423 1.00 0.00 H new ATOM 0 HD2 LYS A 169 0.848 -14.279 -0.916 1.00 0.00 H new ATOM 0 HD3 LYS A 169 1.685 -12.806 -1.364 1.00 0.00 H new ATOM 0 HE2 LYS A 169 1.848 -13.818 -3.400 1.00 0.00 H new ATOM 0 HE3 LYS A 169 3.240 -14.602 -2.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 1.777 -16.204 -3.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 1.827 -16.475 -2.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 0.478 -15.715 -2.750 1.00 0.00 H new ATOM 683 N ALA A 170 6.184 -11.280 -0.671 1.00 0.00 N ATOM 684 CA ALA A 170 6.708 -10.699 -1.900 1.00 0.00 C ATOM 685 C ALA A 170 7.392 -11.757 -2.760 1.00 0.00 C ATOM 686 O ALA A 170 7.676 -11.466 -3.941 1.00 0.00 O ATOM 687 CB ALA A 170 7.678 -9.572 -1.579 1.00 0.00 C ATOM 688 OXT ALA A 170 7.638 -12.868 -2.245 1.00 0.00 O ATOM 0 H ALA A 170 6.724 -11.056 0.165 1.00 0.00 H new ATOM 0 HA ALA A 170 5.870 -10.293 -2.466 1.00 0.00 H new ATOM 0 HB1 ALA A 170 8.062 -9.147 -2.506 1.00 0.00 H new ATOM 0 HB2 ALA A 170 7.161 -8.798 -1.012 1.00 0.00 H new ATOM 0 HB3 ALA A 170 8.507 -9.962 -0.989 1.00 0.00 H new