USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 516 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 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.685 K(o=-0.69,f=-2.7) USER MOD Single : A 65 LYS NZ :NH3+ 148:sc= 1.21 (180deg=0.473) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -75:sc= 0.821 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 76:sc= 1.14 USER MOD Single : A 95 LYS NZ :NH3+ -121:sc= 1.26 (180deg=0.0133) USER MOD Single : A 99 SER OG : rot -77:sc= 0.197 USER MOD Single : A 100 LYS NZ :NH3+ -165:sc= 0.0981 (180deg=0.0722) USER MOD Single : A 107 LYS NZ :NH3+ -142:sc= 1.3 (180deg=-0.215) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 170:sc= 0.646 (180deg=0.577) USER MOD ----------------------------------------------------------------- ATOM 87 N GLU A 53 -1.503 -14.711 -5.529 1.00 0.00 N ATOM 88 CA GLU A 53 -2.013 -13.358 -5.386 1.00 0.00 C ATOM 89 C GLU A 53 -1.819 -12.866 -3.950 1.00 0.00 C ATOM 90 O GLU A 53 -2.314 -13.481 -3.007 1.00 0.00 O ATOM 91 CB GLU A 53 -3.485 -13.281 -5.797 1.00 0.00 C ATOM 92 CG GLU A 53 -3.624 -13.166 -7.317 1.00 0.00 C ATOM 93 CD GLU A 53 -5.092 -13.032 -7.724 1.00 0.00 C ATOM 94 OE1 GLU A 53 -5.885 -13.889 -7.278 1.00 0.00 O ATOM 95 OE2 GLU A 53 -5.388 -12.076 -8.473 1.00 0.00 O ATOM 0 HA GLU A 53 -1.448 -12.706 -6.052 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.011 -14.169 -5.446 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.955 -12.422 -5.319 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.064 -12.301 -7.673 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.190 -14.045 -7.793 1.00 0.00 H new ATOM 102 N PHE A 54 -1.097 -11.762 -3.828 1.00 0.00 N ATOM 103 CA PHE A 54 -0.808 -11.196 -2.521 1.00 0.00 C ATOM 104 C PHE A 54 -1.618 -9.919 -2.284 1.00 0.00 C ATOM 105 O PHE A 54 -2.027 -9.255 -3.235 1.00 0.00 O ATOM 106 CB PHE A 54 0.682 -10.850 -2.505 1.00 0.00 C ATOM 107 CG PHE A 54 1.604 -12.065 -2.614 1.00 0.00 C ATOM 108 CD1 PHE A 54 1.780 -12.680 -3.815 1.00 0.00 C ATOM 109 CD2 PHE A 54 2.249 -12.532 -1.511 1.00 0.00 C ATOM 110 CE1 PHE A 54 2.636 -13.809 -3.917 1.00 0.00 C ATOM 111 CE2 PHE A 54 3.105 -13.660 -1.613 1.00 0.00 C ATOM 112 CZ PHE A 54 3.281 -14.274 -2.814 1.00 0.00 C ATOM 0 H PHE A 54 -0.703 -11.244 -4.613 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.070 -11.910 -1.740 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.895 -10.170 -3.330 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.910 -10.315 -1.583 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.269 -12.310 -4.691 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.110 -12.044 -0.557 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.774 -14.298 -4.870 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.616 -14.031 -0.737 1.00 0.00 H new ATOM 0 HZ PHE A 54 3.933 -15.131 -2.891 1.00 0.00 H new ATOM 122 N ASP A 55 -1.825 -9.616 -1.012 1.00 0.00 N ATOM 123 CA ASP A 55 -2.559 -8.420 -0.637 1.00 0.00 C ATOM 124 C ASP A 55 -1.591 -7.400 -0.035 1.00 0.00 C ATOM 125 O ASP A 55 -0.750 -7.751 0.790 1.00 0.00 O ATOM 126 CB ASP A 55 -3.628 -8.734 0.412 1.00 0.00 C ATOM 127 CG ASP A 55 -4.480 -9.971 0.116 1.00 0.00 C ATOM 128 OD1 ASP A 55 -4.864 -10.127 -1.065 1.00 0.00 O ATOM 129 OD2 ASP A 55 -4.729 -10.732 1.076 1.00 0.00 O ATOM 0 H ASP A 55 -1.497 -10.179 -0.227 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.039 -8.025 -1.533 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.140 -8.870 1.377 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.287 -7.871 0.507 1.00 0.00 H new ATOM 134 N VAL A 56 -1.744 -6.158 -0.470 1.00 0.00 N ATOM 135 CA VAL A 56 -0.877 -5.089 -0.002 1.00 0.00 C ATOM 136 C VAL A 56 -1.657 -4.190 0.958 1.00 0.00 C ATOM 137 O VAL A 56 -2.552 -3.455 0.538 1.00 0.00 O ATOM 138 CB VAL A 56 -0.294 -4.329 -1.195 1.00 0.00 C ATOM 139 CG1 VAL A 56 0.569 -3.154 -0.727 1.00 0.00 C ATOM 140 CG2 VAL A 56 0.502 -5.265 -2.105 1.00 0.00 C ATOM 0 H VAL A 56 -2.455 -5.868 -1.141 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.031 -5.497 0.551 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.125 -3.926 -1.774 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.972 -2.630 -1.594 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.040 -2.467 -0.139 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.390 -3.527 -0.115 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.905 -4.700 -2.945 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.321 -5.711 -1.541 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.152 -6.053 -2.479 1.00 0.00 H new ATOM 150 N ILE A 57 -1.291 -4.274 2.228 1.00 0.00 N ATOM 151 CA ILE A 57 -1.926 -3.454 3.246 1.00 0.00 C ATOM 152 C ILE A 57 -0.937 -2.392 3.729 1.00 0.00 C ATOM 153 O ILE A 57 0.269 -2.629 3.760 1.00 0.00 O ATOM 154 CB ILE A 57 -2.482 -4.331 4.369 1.00 0.00 C ATOM 155 CG1 ILE A 57 -3.577 -5.265 3.845 1.00 0.00 C ATOM 156 CG2 ILE A 57 -2.972 -3.477 5.541 1.00 0.00 C ATOM 157 CD1 ILE A 57 -3.049 -6.692 3.686 1.00 0.00 C ATOM 0 H ILE A 57 -0.563 -4.897 2.576 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.784 -2.926 2.830 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.673 -4.959 4.743 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.423 -5.261 4.532 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.943 -4.900 2.886 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.362 -4.125 6.325 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.143 -2.890 5.935 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.761 -2.807 5.198 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.846 -7.335 3.313 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.219 -6.696 2.980 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.706 -7.063 4.652 1.00 0.00 H new ATOM 169 N LEU A 58 -1.486 -1.241 4.093 1.00 0.00 N ATOM 170 CA LEU A 58 -0.674 -0.162 4.627 1.00 0.00 C ATOM 171 C LEU A 58 -0.902 -0.055 6.137 1.00 0.00 C ATOM 172 O LEU A 58 -2.022 0.188 6.582 1.00 0.00 O ATOM 173 CB LEU A 58 -0.946 1.141 3.872 1.00 0.00 C ATOM 174 CG LEU A 58 -0.602 2.432 4.614 1.00 0.00 C ATOM 175 CD1 LEU A 58 0.903 2.537 4.866 1.00 0.00 C ATOM 176 CD2 LEU A 58 -1.145 3.654 3.869 1.00 0.00 C ATOM 0 H LEU A 58 -2.483 -1.033 4.028 1.00 0.00 H new ATOM 0 HA LEU A 58 0.384 -0.375 4.477 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.383 1.121 2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.003 1.169 3.606 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.090 2.405 5.588 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.119 3.465 5.395 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.231 1.690 5.469 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.433 2.531 3.913 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.887 4.559 4.418 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.707 3.697 2.872 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.229 3.577 3.786 1.00 0.00 H new ATOM 188 N LYS A 59 0.177 -0.244 6.881 1.00 0.00 N ATOM 189 CA LYS A 59 0.097 -0.233 8.332 1.00 0.00 C ATOM 190 C LYS A 59 0.372 1.183 8.844 1.00 0.00 C ATOM 191 O LYS A 59 -0.486 1.795 9.477 1.00 0.00 O ATOM 192 CB LYS A 59 1.024 -1.294 8.929 1.00 0.00 C ATOM 193 CG LYS A 59 0.441 -2.697 8.746 1.00 0.00 C ATOM 194 CD LYS A 59 0.554 -3.509 10.037 1.00 0.00 C ATOM 195 CE LYS A 59 1.978 -4.035 10.231 1.00 0.00 C ATOM 196 NZ LYS A 59 2.107 -4.713 11.540 1.00 0.00 N ATOM 0 H LYS A 59 1.112 -0.406 6.507 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.908 -0.501 8.659 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.002 -1.238 8.451 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.175 -1.095 9.990 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.605 -2.624 8.448 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.967 -3.211 7.941 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.273 -2.888 10.887 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.145 -4.345 10.008 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.228 -4.730 9.429 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.688 -3.210 10.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.079 -5.064 11.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.889 -4.040 12.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.443 -5.512 11.584 1.00 0.00 H new ATOM 210 N ALA A 60 1.573 1.661 8.548 1.00 0.00 N ATOM 211 CA ALA A 60 1.984 2.978 9.002 1.00 0.00 C ATOM 212 C ALA A 60 2.687 3.710 7.857 1.00 0.00 C ATOM 213 O ALA A 60 3.593 3.164 7.229 1.00 0.00 O ATOM 214 CB ALA A 60 2.877 2.837 10.237 1.00 0.00 C ATOM 0 H ALA A 60 2.273 1.160 8.000 1.00 0.00 H new ATOM 0 HA ALA A 60 1.117 3.572 9.292 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.185 3.825 10.578 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.323 2.336 11.031 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.759 2.249 9.983 1.00 0.00 H new ATOM 220 N ALA A 61 2.241 4.935 7.619 1.00 0.00 N ATOM 221 CA ALA A 61 2.839 5.760 6.582 1.00 0.00 C ATOM 222 C ALA A 61 4.277 6.103 6.975 1.00 0.00 C ATOM 223 O ALA A 61 5.113 6.370 6.112 1.00 0.00 O ATOM 224 CB ALA A 61 1.980 7.007 6.366 1.00 0.00 C ATOM 0 H ALA A 61 1.473 5.376 8.126 1.00 0.00 H new ATOM 0 HA ALA A 61 2.877 5.221 5.635 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.427 7.627 5.589 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.977 6.709 6.061 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.923 7.575 7.295 1.00 0.00 H new ATOM 230 N GLY A 62 4.522 6.087 8.277 1.00 0.00 N ATOM 231 CA GLY A 62 5.839 6.414 8.795 1.00 0.00 C ATOM 232 C GLY A 62 6.047 7.928 8.851 1.00 0.00 C ATOM 233 O GLY A 62 5.081 8.690 8.859 1.00 0.00 O ATOM 0 H GLY A 62 3.830 5.852 8.989 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.957 5.990 9.792 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.604 5.962 8.164 1.00 0.00 H new ATOM 237 N ALA A 63 7.311 8.319 8.887 1.00 0.00 N ATOM 238 CA ALA A 63 7.657 9.724 9.017 1.00 0.00 C ATOM 239 C ALA A 63 7.768 10.349 7.624 1.00 0.00 C ATOM 240 O ALA A 63 8.599 11.228 7.399 1.00 0.00 O ATOM 241 CB ALA A 63 8.950 9.861 9.822 1.00 0.00 C ATOM 0 H ALA A 63 8.109 7.687 8.828 1.00 0.00 H new ATOM 0 HA ALA A 63 6.879 10.261 9.559 1.00 0.00 H new ATOM 0 HB1 ALA A 63 9.208 10.916 9.919 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.809 9.430 10.813 1.00 0.00 H new ATOM 0 HB3 ALA A 63 9.755 9.336 9.309 1.00 0.00 H new ATOM 247 N ASN A 64 6.921 9.869 6.727 1.00 0.00 N ATOM 248 CA ASN A 64 6.921 10.361 5.360 1.00 0.00 C ATOM 249 C ASN A 64 5.533 10.160 4.748 1.00 0.00 C ATOM 250 O ASN A 64 5.387 9.462 3.747 1.00 0.00 O ATOM 251 CB ASN A 64 7.931 9.598 4.499 1.00 0.00 C ATOM 252 CG ASN A 64 8.489 10.489 3.388 1.00 0.00 C ATOM 253 OD1 ASN A 64 7.878 11.458 2.968 1.00 0.00 O ATOM 254 ND2 ASN A 64 9.680 10.109 2.936 1.00 0.00 N ATOM 0 H ASN A 64 6.230 9.144 6.920 1.00 0.00 H new ATOM 0 HA ASN A 64 7.191 11.417 5.383 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.747 9.236 5.124 1.00 0.00 H new ATOM 0 HB3 ASN A 64 7.452 8.722 4.061 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.137 10.639 2.194 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.137 9.287 3.332 1.00 0.00 H new ATOM 261 N LYS A 65 4.548 10.784 5.378 1.00 0.00 N ATOM 262 CA LYS A 65 3.169 10.628 4.950 1.00 0.00 C ATOM 263 C LYS A 65 3.013 11.179 3.531 1.00 0.00 C ATOM 264 O LYS A 65 2.204 10.680 2.753 1.00 0.00 O ATOM 265 CB LYS A 65 2.218 11.265 5.965 1.00 0.00 C ATOM 266 CG LYS A 65 0.906 10.480 6.056 1.00 0.00 C ATOM 267 CD LYS A 65 0.428 10.379 7.505 1.00 0.00 C ATOM 268 CE LYS A 65 -0.080 11.731 8.010 1.00 0.00 C ATOM 269 NZ LYS A 65 -0.753 11.575 9.320 1.00 0.00 N ATOM 0 H LYS A 65 4.678 11.399 6.182 1.00 0.00 H new ATOM 0 HA LYS A 65 2.899 9.573 4.913 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.695 11.298 6.945 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.010 12.295 5.677 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.143 10.969 5.451 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.047 9.480 5.645 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.367 9.637 7.579 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.245 10.034 8.138 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.753 12.428 8.103 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.774 12.159 7.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.612 12.435 9.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.771 11.422 9.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.350 10.759 9.822 1.00 0.00 H new ATOM 283 N VAL A 66 3.804 12.202 3.239 1.00 0.00 N ATOM 284 CA VAL A 66 3.713 12.873 1.953 1.00 0.00 C ATOM 285 C VAL A 66 4.119 11.901 0.844 1.00 0.00 C ATOM 286 O VAL A 66 3.438 11.798 -0.174 1.00 0.00 O ATOM 287 CB VAL A 66 4.558 14.150 1.970 1.00 0.00 C ATOM 288 CG1 VAL A 66 4.429 14.908 0.647 1.00 0.00 C ATOM 289 CG2 VAL A 66 4.183 15.041 3.154 1.00 0.00 C ATOM 0 H VAL A 66 4.510 12.582 3.870 1.00 0.00 H new ATOM 0 HA VAL A 66 2.686 13.180 1.754 1.00 0.00 H new ATOM 0 HB VAL A 66 5.602 13.861 2.090 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.038 15.811 0.684 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.770 14.273 -0.171 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.386 15.180 0.484 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.798 15.941 3.142 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.132 15.319 3.081 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.351 14.499 4.085 1.00 0.00 H new ATOM 299 N ALA A 67 5.225 11.212 1.080 1.00 0.00 N ATOM 300 CA ALA A 67 5.746 10.273 0.102 1.00 0.00 C ATOM 301 C ALA A 67 4.743 9.131 -0.083 1.00 0.00 C ATOM 302 O ALA A 67 4.644 8.558 -1.167 1.00 0.00 O ATOM 303 CB ALA A 67 7.121 9.775 0.553 1.00 0.00 C ATOM 0 H ALA A 67 5.776 11.285 1.936 1.00 0.00 H new ATOM 0 HA ALA A 67 5.878 10.758 -0.865 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.512 9.070 -0.181 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.803 10.621 0.643 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.029 9.279 1.519 1.00 0.00 H new ATOM 309 N VAL A 68 4.028 8.833 0.991 1.00 0.00 N ATOM 310 CA VAL A 68 3.090 7.723 0.982 1.00 0.00 C ATOM 311 C VAL A 68 1.795 8.161 0.298 1.00 0.00 C ATOM 312 O VAL A 68 1.148 7.367 -0.384 1.00 0.00 O ATOM 313 CB VAL A 68 2.871 7.213 2.408 1.00 0.00 C ATOM 314 CG1 VAL A 68 1.672 6.265 2.471 1.00 0.00 C ATOM 315 CG2 VAL A 68 4.132 6.537 2.949 1.00 0.00 C ATOM 0 H VAL A 68 4.079 9.341 1.874 1.00 0.00 H new ATOM 0 HA VAL A 68 3.492 6.887 0.410 1.00 0.00 H new ATOM 0 HB VAL A 68 2.654 8.073 3.042 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.537 5.916 3.495 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.775 6.791 2.146 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.849 5.411 1.817 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.949 6.184 3.964 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.393 5.692 2.312 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.954 7.253 2.957 1.00 0.00 H new ATOM 325 N ILE A 69 1.452 9.426 0.503 1.00 0.00 N ATOM 326 CA ILE A 69 0.209 9.960 -0.026 1.00 0.00 C ATOM 327 C ILE A 69 0.251 9.922 -1.555 1.00 0.00 C ATOM 328 O ILE A 69 -0.705 9.491 -2.195 1.00 0.00 O ATOM 329 CB ILE A 69 -0.063 11.351 0.550 1.00 0.00 C ATOM 330 CG1 ILE A 69 -0.634 11.257 1.965 1.00 0.00 C ATOM 331 CG2 ILE A 69 -0.968 12.161 -0.382 1.00 0.00 C ATOM 332 CD1 ILE A 69 -0.382 12.549 2.745 1.00 0.00 C ATOM 0 H ILE A 69 2.014 10.096 1.028 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.634 9.342 0.283 1.00 0.00 H new ATOM 0 HB ILE A 69 0.885 11.883 0.622 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.705 11.060 1.916 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.179 10.417 2.489 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.147 13.146 0.050 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.484 12.272 -1.352 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -1.918 11.642 -0.508 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.798 12.455 3.748 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.691 12.730 2.813 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.859 13.383 2.231 1.00 0.00 H new ATOM 344 N LYS A 70 1.371 10.380 -2.095 1.00 0.00 N ATOM 345 CA LYS A 70 1.547 10.413 -3.536 1.00 0.00 C ATOM 346 C LYS A 70 1.587 8.982 -4.075 1.00 0.00 C ATOM 347 O LYS A 70 0.875 8.651 -5.021 1.00 0.00 O ATOM 348 CB LYS A 70 2.778 11.244 -3.908 1.00 0.00 C ATOM 349 CG LYS A 70 4.066 10.522 -3.509 1.00 0.00 C ATOM 350 CD LYS A 70 5.286 11.420 -3.727 1.00 0.00 C ATOM 351 CE LYS A 70 6.564 10.586 -3.852 1.00 0.00 C ATOM 352 NZ LYS A 70 7.715 11.451 -4.191 1.00 0.00 N ATOM 0 H LYS A 70 2.165 10.731 -1.560 1.00 0.00 H new ATOM 0 HA LYS A 70 0.700 10.909 -4.010 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.781 11.436 -4.981 1.00 0.00 H new ATOM 0 HB3 LYS A 70 2.731 12.213 -3.411 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.011 10.224 -2.462 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.172 9.609 -4.095 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.147 12.017 -4.629 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.382 12.118 -2.895 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.758 10.063 -2.915 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.435 9.824 -4.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.574 10.870 -4.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.534 11.930 -5.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.847 12.162 -3.443 1.00 0.00 H new ATOM 366 N ALA A 71 2.425 8.171 -3.447 1.00 0.00 N ATOM 367 CA ALA A 71 2.582 6.788 -3.862 1.00 0.00 C ATOM 368 C ALA A 71 1.212 6.106 -3.876 1.00 0.00 C ATOM 369 O ALA A 71 0.907 5.336 -4.785 1.00 0.00 O ATOM 370 CB ALA A 71 3.575 6.084 -2.936 1.00 0.00 C ATOM 0 H ALA A 71 3.003 8.446 -2.653 1.00 0.00 H new ATOM 0 HA ALA A 71 2.988 6.735 -4.872 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.692 5.046 -3.249 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.540 6.589 -2.986 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.202 6.115 -1.912 1.00 0.00 H new ATOM 376 N VAL A 72 0.424 6.415 -2.856 1.00 0.00 N ATOM 377 CA VAL A 72 -0.915 5.857 -2.750 1.00 0.00 C ATOM 378 C VAL A 72 -1.739 6.286 -3.966 1.00 0.00 C ATOM 379 O VAL A 72 -2.047 5.467 -4.830 1.00 0.00 O ATOM 380 CB VAL A 72 -1.549 6.273 -1.420 1.00 0.00 C ATOM 381 CG1 VAL A 72 -3.068 6.085 -1.456 1.00 0.00 C ATOM 382 CG2 VAL A 72 -0.929 5.505 -0.252 1.00 0.00 C ATOM 0 H VAL A 72 0.686 7.043 -2.097 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.878 4.768 -2.751 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.345 7.333 -1.268 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.495 6.387 -0.500 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.492 6.697 -2.252 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.301 5.036 -1.642 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.398 5.820 0.680 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.087 4.436 -0.395 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.140 5.711 -0.208 1.00 0.00 H new ATOM 392 N ARG A 73 -2.072 7.568 -3.994 1.00 0.00 N ATOM 393 CA ARG A 73 -2.875 8.110 -5.076 1.00 0.00 C ATOM 394 C ARG A 73 -2.345 7.621 -6.426 1.00 0.00 C ATOM 395 O ARG A 73 -3.118 7.396 -7.356 1.00 0.00 O ATOM 396 CB ARG A 73 -2.866 9.640 -5.057 1.00 0.00 C ATOM 397 CG ARG A 73 -4.063 10.204 -5.824 1.00 0.00 C ATOM 398 CD ARG A 73 -3.615 11.249 -6.849 1.00 0.00 C ATOM 399 NE ARG A 73 -3.051 10.579 -8.041 1.00 0.00 N ATOM 400 CZ ARG A 73 -2.671 11.220 -9.154 1.00 0.00 C ATOM 401 NH1 ARG A 73 -2.742 12.558 -9.214 1.00 0.00 N ATOM 402 NH2 ARG A 73 -2.218 10.526 -10.207 1.00 0.00 N ATOM 0 H ARG A 73 -1.800 8.248 -3.284 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.898 7.763 -4.935 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.890 9.995 -4.027 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.940 10.007 -5.499 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.589 9.395 -6.331 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.768 10.654 -5.125 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.461 11.873 -7.138 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.869 11.909 -6.406 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.945 9.565 -8.014 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.085 13.087 -8.412 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.453 13.047 -10.061 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.162 9.509 -10.161 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.929 11.015 -11.054 1.00 0.00 H new ATOM 416 N GLY A 74 -1.030 7.471 -6.491 1.00 0.00 N ATOM 417 CA GLY A 74 -0.382 7.065 -7.727 1.00 0.00 C ATOM 418 C GLY A 74 -0.606 5.577 -8.000 1.00 0.00 C ATOM 419 O GLY A 74 -0.717 5.164 -9.153 1.00 0.00 O ATOM 0 H GLY A 74 -0.395 7.623 -5.707 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.773 7.654 -8.557 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.687 7.270 -7.666 1.00 0.00 H new ATOM 423 N ALA A 75 -0.665 4.812 -6.920 1.00 0.00 N ATOM 424 CA ALA A 75 -0.822 3.372 -7.031 1.00 0.00 C ATOM 425 C ALA A 75 -2.287 3.045 -7.326 1.00 0.00 C ATOM 426 O ALA A 75 -2.590 1.999 -7.900 1.00 0.00 O ATOM 427 CB ALA A 75 -0.322 2.704 -5.747 1.00 0.00 C ATOM 0 H ALA A 75 -0.607 5.162 -5.964 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.225 2.982 -7.855 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.439 1.623 -5.829 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.731 2.944 -5.598 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.901 3.068 -4.898 1.00 0.00 H new ATOM 433 N THR A 76 -3.158 3.956 -6.920 1.00 0.00 N ATOM 434 CA THR A 76 -4.587 3.752 -7.083 1.00 0.00 C ATOM 435 C THR A 76 -5.157 4.747 -8.095 1.00 0.00 C ATOM 436 O THR A 76 -5.444 4.383 -9.235 1.00 0.00 O ATOM 437 CB THR A 76 -5.238 3.850 -5.702 1.00 0.00 C ATOM 438 OG1 THR A 76 -4.905 5.160 -5.252 1.00 0.00 O ATOM 439 CG2 THR A 76 -4.580 2.924 -4.677 1.00 0.00 C ATOM 0 H THR A 76 -2.901 4.839 -6.478 1.00 0.00 H new ATOM 0 HA THR A 76 -4.801 2.764 -7.491 1.00 0.00 H new ATOM 0 HB THR A 76 -6.297 3.607 -5.783 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.963 5.184 -4.983 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.080 3.033 -3.715 1.00 0.00 H new ATOM 0 HG22 THR A 76 -4.663 1.891 -5.014 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.528 3.188 -4.571 1.00 0.00 H new ATOM 447 N GLY A 77 -5.304 5.985 -7.643 1.00 0.00 N ATOM 448 CA GLY A 77 -5.861 7.029 -8.486 1.00 0.00 C ATOM 449 C GLY A 77 -7.095 7.657 -7.834 1.00 0.00 C ATOM 450 O GLY A 77 -7.842 8.386 -8.486 1.00 0.00 O ATOM 0 H GLY A 77 -5.047 6.288 -6.704 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.109 7.797 -8.665 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.130 6.613 -9.457 1.00 0.00 H new ATOM 454 N LEU A 78 -7.271 7.352 -6.557 1.00 0.00 N ATOM 455 CA LEU A 78 -8.383 7.905 -5.802 1.00 0.00 C ATOM 456 C LEU A 78 -8.148 9.400 -5.578 1.00 0.00 C ATOM 457 O LEU A 78 -7.007 9.861 -5.579 1.00 0.00 O ATOM 458 CB LEU A 78 -8.596 7.114 -4.510 1.00 0.00 C ATOM 459 CG LEU A 78 -9.241 5.736 -4.666 1.00 0.00 C ATOM 460 CD1 LEU A 78 -8.978 4.866 -3.435 1.00 0.00 C ATOM 461 CD2 LEU A 78 -10.735 5.860 -4.971 1.00 0.00 C ATOM 0 H LEU A 78 -6.662 6.729 -6.026 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.312 7.810 -6.364 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.630 6.988 -4.021 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.216 7.710 -3.841 1.00 0.00 H new ATOM 0 HG LEU A 78 -8.779 5.238 -5.518 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -9.447 3.892 -3.571 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.904 4.736 -3.304 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.396 5.349 -2.552 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -11.168 4.866 -5.077 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -11.230 6.387 -4.155 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -10.872 6.416 -5.898 1.00 0.00 H new ATOM 473 N GLY A 79 -9.247 10.117 -5.388 1.00 0.00 N ATOM 474 CA GLY A 79 -9.175 11.549 -5.157 1.00 0.00 C ATOM 475 C GLY A 79 -8.209 11.871 -4.014 1.00 0.00 C ATOM 476 O GLY A 79 -8.157 11.151 -3.018 1.00 0.00 O ATOM 0 H GLY A 79 -10.192 9.732 -5.389 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.848 12.052 -6.067 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.167 11.933 -4.919 1.00 0.00 H new ATOM 480 N LEU A 80 -7.465 12.953 -4.199 1.00 0.00 N ATOM 481 CA LEU A 80 -6.497 13.374 -3.200 1.00 0.00 C ATOM 482 C LEU A 80 -7.082 13.156 -1.804 1.00 0.00 C ATOM 483 O LEU A 80 -6.413 12.619 -0.922 1.00 0.00 O ATOM 484 CB LEU A 80 -6.049 14.813 -3.462 1.00 0.00 C ATOM 485 CG LEU A 80 -4.647 15.179 -2.969 1.00 0.00 C ATOM 486 CD1 LEU A 80 -3.611 14.997 -4.079 1.00 0.00 C ATOM 487 CD2 LEU A 80 -4.623 16.595 -2.389 1.00 0.00 C ATOM 0 H LEU A 80 -7.513 13.550 -5.025 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.594 12.767 -3.265 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.095 14.997 -4.535 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.765 15.487 -2.992 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.379 14.496 -2.163 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.624 15.264 -3.702 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.606 13.957 -4.405 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.864 15.640 -4.922 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.616 16.831 -2.046 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.921 17.308 -3.158 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.316 16.656 -1.550 1.00 0.00 H new ATOM 499 N LYS A 81 -8.326 13.584 -1.645 1.00 0.00 N ATOM 500 CA LYS A 81 -9.006 13.453 -0.367 1.00 0.00 C ATOM 501 C LYS A 81 -9.071 11.975 0.020 1.00 0.00 C ATOM 502 O LYS A 81 -8.426 11.552 0.978 1.00 0.00 O ATOM 503 CB LYS A 81 -10.372 14.138 -0.415 1.00 0.00 C ATOM 504 CG LYS A 81 -11.155 13.892 0.877 1.00 0.00 C ATOM 505 CD LYS A 81 -10.443 14.521 2.077 1.00 0.00 C ATOM 506 CE LYS A 81 -11.412 14.728 3.243 1.00 0.00 C ATOM 507 NZ LYS A 81 -11.944 16.109 3.236 1.00 0.00 N ATOM 0 H LYS A 81 -8.881 14.022 -2.380 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.448 13.964 0.417 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.240 15.209 -0.566 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -10.941 13.764 -1.266 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.157 14.310 0.784 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -11.270 12.820 1.038 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -9.620 13.880 2.393 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.009 15.478 1.786 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -12.234 14.015 3.172 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -10.902 14.533 4.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -12.600 16.232 4.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -11.158 16.784 3.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -12.448 16.282 2.343 1.00 0.00 H new ATOM 521 N GLU A 82 -9.857 11.231 -0.741 1.00 0.00 N ATOM 522 CA GLU A 82 -10.039 9.814 -0.471 1.00 0.00 C ATOM 523 C GLU A 82 -8.710 9.178 -0.059 1.00 0.00 C ATOM 524 O GLU A 82 -8.647 8.453 0.934 1.00 0.00 O ATOM 525 CB GLU A 82 -10.635 9.097 -1.685 1.00 0.00 C ATOM 526 CG GLU A 82 -12.093 9.512 -1.906 1.00 0.00 C ATOM 527 CD GLU A 82 -12.204 10.536 -3.038 1.00 0.00 C ATOM 528 OE1 GLU A 82 -11.738 11.676 -2.820 1.00 0.00 O ATOM 529 OE2 GLU A 82 -12.755 10.155 -4.094 1.00 0.00 O ATOM 0 H GLU A 82 -10.376 11.582 -1.546 1.00 0.00 H new ATOM 0 HA GLU A 82 -10.743 9.709 0.355 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.048 9.330 -2.574 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.578 8.018 -1.539 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -12.693 8.634 -2.145 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -12.498 9.935 -0.987 1.00 0.00 H new ATOM 536 N ALA A 83 -7.681 9.472 -0.840 1.00 0.00 N ATOM 537 CA ALA A 83 -6.372 8.888 -0.604 1.00 0.00 C ATOM 538 C ALA A 83 -5.884 9.287 0.790 1.00 0.00 C ATOM 539 O ALA A 83 -5.424 8.443 1.557 1.00 0.00 O ATOM 540 CB ALA A 83 -5.410 9.330 -1.707 1.00 0.00 C ATOM 0 H ALA A 83 -7.727 10.107 -1.637 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.426 7.800 -0.635 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.428 8.892 -1.530 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.787 8.997 -2.674 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.328 10.417 -1.705 1.00 0.00 H new ATOM 546 N LYS A 84 -6.000 10.575 1.076 1.00 0.00 N ATOM 547 CA LYS A 84 -5.568 11.099 2.360 1.00 0.00 C ATOM 548 C LYS A 84 -6.302 10.361 3.481 1.00 0.00 C ATOM 549 O LYS A 84 -5.673 9.807 4.381 1.00 0.00 O ATOM 550 CB LYS A 84 -5.745 12.619 2.408 1.00 0.00 C ATOM 551 CG LYS A 84 -5.065 13.212 3.643 1.00 0.00 C ATOM 552 CD LYS A 84 -5.739 14.518 4.066 1.00 0.00 C ATOM 553 CE LYS A 84 -5.247 14.970 5.443 1.00 0.00 C ATOM 554 NZ LYS A 84 -5.862 16.263 5.813 1.00 0.00 N ATOM 0 H LYS A 84 -6.387 11.272 0.440 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.502 10.920 2.503 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -5.325 13.066 1.507 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -6.807 12.865 2.420 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -5.105 12.496 4.464 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -4.012 13.395 3.430 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.531 15.294 3.329 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.820 14.382 4.089 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -5.494 14.216 6.190 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -4.161 15.066 5.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -5.518 16.556 6.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -5.605 16.984 5.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -6.897 16.160 5.841 1.00 0.00 H new ATOM 568 N ASP A 85 -7.625 10.373 3.387 1.00 0.00 N ATOM 569 CA ASP A 85 -8.452 9.735 4.396 1.00 0.00 C ATOM 570 C ASP A 85 -7.978 8.295 4.601 1.00 0.00 C ATOM 571 O ASP A 85 -7.840 7.839 5.736 1.00 0.00 O ATOM 572 CB ASP A 85 -9.918 9.695 3.961 1.00 0.00 C ATOM 573 CG ASP A 85 -10.565 11.063 3.736 1.00 0.00 C ATOM 574 OD1 ASP A 85 -10.143 12.012 4.432 1.00 0.00 O ATOM 575 OD2 ASP A 85 -11.465 11.130 2.871 1.00 0.00 O ATOM 0 H ASP A 85 -8.143 10.815 2.627 1.00 0.00 H new ATOM 0 HA ASP A 85 -8.366 10.311 5.317 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -9.992 9.119 3.038 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.491 9.159 4.718 1.00 0.00 H new ATOM 580 N LEU A 86 -7.746 7.619 3.486 1.00 0.00 N ATOM 581 CA LEU A 86 -7.321 6.230 3.528 1.00 0.00 C ATOM 582 C LEU A 86 -6.091 6.105 4.428 1.00 0.00 C ATOM 583 O LEU A 86 -6.084 5.318 5.372 1.00 0.00 O ATOM 584 CB LEU A 86 -7.104 5.693 2.112 1.00 0.00 C ATOM 585 CG LEU A 86 -6.838 4.190 1.997 1.00 0.00 C ATOM 586 CD1 LEU A 86 -7.450 3.621 0.716 1.00 0.00 C ATOM 587 CD2 LEU A 86 -5.342 3.890 2.101 1.00 0.00 C ATOM 0 H LEU A 86 -7.844 8.007 2.548 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.101 5.606 3.965 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.984 5.933 1.515 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.263 6.226 1.668 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.326 3.691 2.834 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.246 2.552 0.659 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.528 3.785 0.723 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.013 4.120 -0.149 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.180 2.815 2.016 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.812 4.402 1.298 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.967 4.239 3.063 1.00 0.00 H new ATOM 599 N VAL A 87 -5.077 6.894 4.103 1.00 0.00 N ATOM 600 CA VAL A 87 -3.831 6.858 4.850 1.00 0.00 C ATOM 601 C VAL A 87 -4.115 7.171 6.322 1.00 0.00 C ATOM 602 O VAL A 87 -3.563 6.530 7.215 1.00 0.00 O ATOM 603 CB VAL A 87 -2.816 7.814 4.222 1.00 0.00 C ATOM 604 CG1 VAL A 87 -1.487 7.779 4.981 1.00 0.00 C ATOM 605 CG2 VAL A 87 -2.609 7.496 2.740 1.00 0.00 C ATOM 0 H VAL A 87 -5.093 7.562 3.332 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.389 5.862 4.808 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.217 8.825 4.296 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -0.783 8.468 4.514 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -1.652 8.076 6.017 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.079 6.769 4.953 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -1.883 8.190 2.317 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.240 6.476 2.635 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.557 7.595 2.211 1.00 0.00 H new ATOM 615 N GLU A 88 -4.975 8.158 6.529 1.00 0.00 N ATOM 616 CA GLU A 88 -5.282 8.613 7.873 1.00 0.00 C ATOM 617 C GLU A 88 -6.198 7.611 8.577 1.00 0.00 C ATOM 618 O GLU A 88 -6.457 7.734 9.773 1.00 0.00 O ATOM 619 CB GLU A 88 -5.911 10.009 7.849 1.00 0.00 C ATOM 620 CG GLU A 88 -4.855 11.080 7.565 1.00 0.00 C ATOM 621 CD GLU A 88 -4.414 11.772 8.856 1.00 0.00 C ATOM 622 OE1 GLU A 88 -3.499 11.225 9.509 1.00 0.00 O ATOM 623 OE2 GLU A 88 -5.003 12.832 9.162 1.00 0.00 O ATOM 0 H GLU A 88 -5.469 8.655 5.787 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.350 8.680 8.435 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.689 10.049 7.086 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.392 10.212 8.806 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.992 10.625 7.079 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.258 11.818 6.872 1.00 0.00 H new ATOM 630 N SER A 89 -6.666 6.642 7.806 1.00 0.00 N ATOM 631 CA SER A 89 -7.551 5.620 8.340 1.00 0.00 C ATOM 632 C SER A 89 -6.797 4.295 8.479 1.00 0.00 C ATOM 633 O SER A 89 -7.412 3.234 8.555 1.00 0.00 O ATOM 634 CB SER A 89 -8.782 5.440 7.452 1.00 0.00 C ATOM 635 OG SER A 89 -9.588 6.615 7.410 1.00 0.00 O ATOM 0 H SER A 89 -6.449 6.542 6.814 1.00 0.00 H new ATOM 0 HA SER A 89 -7.891 5.942 9.324 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.465 5.182 6.442 1.00 0.00 H new ATOM 0 HB3 SER A 89 -9.377 4.605 7.823 1.00 0.00 H new ATOM 0 HG SER A 89 -9.163 7.283 6.832 1.00 0.00 H new ATOM 641 N ALA A 90 -5.477 4.402 8.507 1.00 0.00 N ATOM 642 CA ALA A 90 -4.634 3.227 8.644 1.00 0.00 C ATOM 643 C ALA A 90 -4.977 2.508 9.951 1.00 0.00 C ATOM 644 O ALA A 90 -5.354 3.145 10.933 1.00 0.00 O ATOM 645 CB ALA A 90 -3.162 3.644 8.576 1.00 0.00 C ATOM 0 H ALA A 90 -4.970 5.285 8.437 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.813 2.528 7.827 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.529 2.763 8.679 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.964 4.123 7.617 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.944 4.343 9.383 1.00 0.00 H new ATOM 651 N PRO A 91 -4.829 1.157 9.918 1.00 0.00 N ATOM 652 CA PRO A 91 -4.368 0.482 8.716 1.00 0.00 C ATOM 653 C PRO A 91 -5.476 0.421 7.663 1.00 0.00 C ATOM 654 O PRO A 91 -6.657 0.496 7.995 1.00 0.00 O ATOM 655 CB PRO A 91 -3.917 -0.891 9.185 1.00 0.00 C ATOM 656 CG PRO A 91 -4.570 -1.105 10.541 1.00 0.00 C ATOM 657 CD PRO A 91 -5.096 0.238 11.021 1.00 0.00 C ATOM 0 HA PRO A 91 -3.550 1.009 8.225 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.221 -1.664 8.479 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -2.831 -0.940 9.263 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -5.382 -1.828 10.464 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.850 -1.509 11.252 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.161 0.188 11.246 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -4.592 0.557 11.933 1.00 0.00 H new ATOM 665 N ALA A 92 -5.054 0.286 6.415 1.00 0.00 N ATOM 666 CA ALA A 92 -5.995 0.237 5.308 1.00 0.00 C ATOM 667 C ALA A 92 -5.386 -0.571 4.162 1.00 0.00 C ATOM 668 O ALA A 92 -4.186 -0.481 3.902 1.00 0.00 O ATOM 669 CB ALA A 92 -6.364 1.661 4.887 1.00 0.00 C ATOM 0 H ALA A 92 -4.073 0.209 6.145 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.916 -0.262 5.609 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.070 1.624 4.057 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.821 2.182 5.728 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -5.465 2.193 4.575 1.00 0.00 H new ATOM 675 N ALA A 93 -6.238 -1.344 3.506 1.00 0.00 N ATOM 676 CA ALA A 93 -5.808 -2.133 2.363 1.00 0.00 C ATOM 677 C ALA A 93 -5.562 -1.205 1.172 1.00 0.00 C ATOM 678 O ALA A 93 -6.406 -0.374 0.842 1.00 0.00 O ATOM 679 CB ALA A 93 -6.855 -3.207 2.059 1.00 0.00 C ATOM 0 H ALA A 93 -7.225 -1.441 3.744 1.00 0.00 H new ATOM 0 HA ALA A 93 -4.871 -2.645 2.582 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -6.532 -3.798 1.202 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -6.971 -3.858 2.926 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.809 -2.731 1.833 1.00 0.00 H new ATOM 685 N LEU A 94 -4.399 -1.379 0.559 1.00 0.00 N ATOM 686 CA LEU A 94 -4.045 -0.589 -0.610 1.00 0.00 C ATOM 687 C LEU A 94 -4.401 -1.372 -1.875 1.00 0.00 C ATOM 688 O LEU A 94 -4.916 -0.802 -2.836 1.00 0.00 O ATOM 689 CB LEU A 94 -2.577 -0.164 -0.543 1.00 0.00 C ATOM 690 CG LEU A 94 -2.308 1.232 0.022 1.00 0.00 C ATOM 691 CD1 LEU A 94 -0.809 1.465 0.218 1.00 0.00 C ATOM 692 CD2 LEU A 94 -2.945 2.311 -0.856 1.00 0.00 C ATOM 0 H LEU A 94 -3.691 -2.054 0.849 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.621 0.336 -0.634 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.036 -0.890 0.064 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.159 -0.214 -1.548 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.775 1.298 1.004 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.646 2.465 0.621 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.414 0.725 0.914 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.298 1.372 -0.740 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.739 3.294 -0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.528 2.255 -1.862 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.023 2.154 -0.901 1.00 0.00 H new ATOM 704 N LYS A 95 -4.114 -2.664 -1.835 1.00 0.00 N ATOM 705 CA LYS A 95 -4.395 -3.529 -2.968 1.00 0.00 C ATOM 706 C LYS A 95 -4.920 -4.873 -2.459 1.00 0.00 C ATOM 707 O LYS A 95 -4.624 -5.275 -1.336 1.00 0.00 O ATOM 708 CB LYS A 95 -3.163 -3.650 -3.868 1.00 0.00 C ATOM 709 CG LYS A 95 -2.366 -2.345 -3.886 1.00 0.00 C ATOM 710 CD LYS A 95 -3.030 -1.311 -4.798 1.00 0.00 C ATOM 711 CE LYS A 95 -2.353 -1.274 -6.169 1.00 0.00 C ATOM 712 NZ LYS A 95 -3.189 -0.535 -7.140 1.00 0.00 N ATOM 0 H LYS A 95 -3.689 -3.133 -1.035 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.176 -3.097 -3.593 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.529 -4.463 -3.514 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.472 -3.905 -4.882 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -2.289 -1.947 -2.874 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -1.350 -2.540 -4.230 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -4.087 -1.551 -4.917 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -2.977 -0.325 -4.335 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -1.376 -0.799 -6.086 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -2.184 -2.290 -6.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -3.427 -1.158 -7.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -4.063 -0.218 -6.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -2.665 0.292 -7.491 1.00 0.00 H new ATOM 726 N GLU A 96 -5.691 -5.531 -3.313 1.00 0.00 N ATOM 727 CA GLU A 96 -6.277 -6.812 -2.957 1.00 0.00 C ATOM 728 C GLU A 96 -5.962 -7.857 -4.031 1.00 0.00 C ATOM 729 O GLU A 96 -6.245 -7.646 -5.208 1.00 0.00 O ATOM 730 CB GLU A 96 -7.788 -6.685 -2.743 1.00 0.00 C ATOM 731 CG GLU A 96 -8.099 -5.681 -1.632 1.00 0.00 C ATOM 732 CD GLU A 96 -9.563 -5.784 -1.196 1.00 0.00 C ATOM 733 OE1 GLU A 96 -10.431 -5.598 -2.077 1.00 0.00 O ATOM 734 OE2 GLU A 96 -9.781 -6.045 0.007 1.00 0.00 O ATOM 0 H GLU A 96 -5.923 -5.201 -4.250 1.00 0.00 H new ATOM 0 HA GLU A 96 -5.836 -7.141 -2.016 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -8.265 -6.367 -3.670 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -8.206 -7.658 -2.487 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.447 -5.865 -0.778 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.890 -4.670 -1.981 1.00 0.00 H new ATOM 741 N GLY A 97 -5.380 -8.960 -3.583 1.00 0.00 N ATOM 742 CA GLY A 97 -5.035 -10.042 -4.489 1.00 0.00 C ATOM 743 C GLY A 97 -4.466 -9.498 -5.802 1.00 0.00 C ATOM 744 O GLY A 97 -5.171 -9.436 -6.809 1.00 0.00 O ATOM 0 H GLY A 97 -5.139 -9.127 -2.606 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.304 -10.698 -4.016 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -5.919 -10.645 -4.694 1.00 0.00 H new ATOM 748 N VAL A 98 -3.198 -9.118 -5.748 1.00 0.00 N ATOM 749 CA VAL A 98 -2.519 -8.609 -6.928 1.00 0.00 C ATOM 750 C VAL A 98 -1.246 -9.421 -7.169 1.00 0.00 C ATOM 751 O VAL A 98 -0.835 -10.208 -6.316 1.00 0.00 O ATOM 752 CB VAL A 98 -2.251 -7.110 -6.769 1.00 0.00 C ATOM 753 CG1 VAL A 98 -3.561 -6.328 -6.658 1.00 0.00 C ATOM 754 CG2 VAL A 98 -1.345 -6.840 -5.567 1.00 0.00 C ATOM 0 H VAL A 98 -2.623 -9.152 -4.906 1.00 0.00 H new ATOM 0 HA VAL A 98 -3.148 -8.723 -7.811 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.731 -6.765 -7.663 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.342 -5.266 -6.546 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.155 -6.483 -7.559 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.121 -6.677 -5.790 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.170 -5.768 -5.477 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.825 -7.207 -4.660 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.393 -7.352 -5.707 1.00 0.00 H new ATOM 764 N SER A 99 -0.657 -9.206 -8.336 1.00 0.00 N ATOM 765 CA SER A 99 0.561 -9.909 -8.701 1.00 0.00 C ATOM 766 C SER A 99 1.667 -9.598 -7.692 1.00 0.00 C ATOM 767 O SER A 99 1.809 -8.457 -7.252 1.00 0.00 O ATOM 768 CB SER A 99 1.009 -9.536 -10.115 1.00 0.00 C ATOM 769 OG SER A 99 1.305 -8.146 -10.232 1.00 0.00 O ATOM 0 H SER A 99 -1.001 -8.555 -9.041 1.00 0.00 H new ATOM 0 HA SER A 99 0.356 -10.980 -8.686 1.00 0.00 H new ATOM 0 HB2 SER A 99 1.891 -10.118 -10.381 1.00 0.00 H new ATOM 0 HB3 SER A 99 0.226 -9.801 -10.825 1.00 0.00 H new ATOM 0 HG SER A 99 0.469 -7.638 -10.292 1.00 0.00 H new ATOM 775 N LYS A 100 2.425 -10.630 -7.355 1.00 0.00 N ATOM 776 CA LYS A 100 3.510 -10.483 -6.398 1.00 0.00 C ATOM 777 C LYS A 100 4.397 -9.309 -6.817 1.00 0.00 C ATOM 778 O LYS A 100 4.784 -8.490 -5.986 1.00 0.00 O ATOM 779 CB LYS A 100 4.269 -11.802 -6.240 1.00 0.00 C ATOM 780 CG LYS A 100 5.111 -11.801 -4.963 1.00 0.00 C ATOM 781 CD LYS A 100 6.409 -11.015 -5.164 1.00 0.00 C ATOM 782 CE LYS A 100 7.628 -11.873 -4.824 1.00 0.00 C ATOM 783 NZ LYS A 100 8.798 -11.017 -4.522 1.00 0.00 N ATOM 0 H LYS A 100 2.310 -11.573 -7.727 1.00 0.00 H new ATOM 0 HA LYS A 100 3.116 -10.249 -5.409 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.562 -12.631 -6.213 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.914 -11.961 -7.105 1.00 0.00 H new ATOM 0 HG2 LYS A 100 4.539 -11.362 -4.146 1.00 0.00 H new ATOM 0 HG3 LYS A 100 5.343 -12.826 -4.675 1.00 0.00 H new ATOM 0 HD2 LYS A 100 6.476 -10.675 -6.197 1.00 0.00 H new ATOM 0 HD3 LYS A 100 6.400 -10.124 -4.536 1.00 0.00 H new ATOM 0 HE2 LYS A 100 7.405 -12.509 -3.967 1.00 0.00 H new ATOM 0 HE3 LYS A 100 7.859 -12.534 -5.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 9.664 -11.592 -4.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 8.867 -10.260 -5.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 8.686 -10.596 -3.578 1.00 0.00 H new ATOM 797 N ASP A 101 4.696 -9.265 -8.108 1.00 0.00 N ATOM 798 CA ASP A 101 5.587 -8.246 -8.636 1.00 0.00 C ATOM 799 C ASP A 101 5.063 -6.863 -8.244 1.00 0.00 C ATOM 800 O ASP A 101 5.836 -5.991 -7.851 1.00 0.00 O ATOM 801 CB ASP A 101 5.654 -8.311 -10.164 1.00 0.00 C ATOM 802 CG ASP A 101 6.514 -9.445 -10.726 1.00 0.00 C ATOM 803 OD1 ASP A 101 6.410 -10.563 -10.176 1.00 0.00 O ATOM 804 OD2 ASP A 101 7.258 -9.167 -11.692 1.00 0.00 O ATOM 0 H ASP A 101 4.337 -9.919 -8.803 1.00 0.00 H new ATOM 0 HA ASP A 101 6.581 -8.420 -8.224 1.00 0.00 H new ATOM 0 HB2 ASP A 101 4.641 -8.416 -10.553 1.00 0.00 H new ATOM 0 HB3 ASP A 101 6.041 -7.363 -10.536 1.00 0.00 H new ATOM 809 N ASP A 102 3.752 -6.707 -8.364 1.00 0.00 N ATOM 810 CA ASP A 102 3.119 -5.437 -8.052 1.00 0.00 C ATOM 811 C ASP A 102 3.256 -5.159 -6.554 1.00 0.00 C ATOM 812 O ASP A 102 3.460 -4.015 -6.148 1.00 0.00 O ATOM 813 CB ASP A 102 1.628 -5.466 -8.394 1.00 0.00 C ATOM 814 CG ASP A 102 1.302 -5.319 -9.882 1.00 0.00 C ATOM 815 OD1 ASP A 102 2.163 -4.766 -10.600 1.00 0.00 O ATOM 816 OD2 ASP A 102 0.200 -5.763 -10.267 1.00 0.00 O ATOM 0 H ASP A 102 3.112 -7.439 -8.673 1.00 0.00 H new ATOM 0 HA ASP A 102 3.609 -4.662 -8.642 1.00 0.00 H new ATOM 0 HB2 ASP A 102 1.207 -6.406 -8.036 1.00 0.00 H new ATOM 0 HB3 ASP A 102 1.130 -4.665 -7.848 1.00 0.00 H new ATOM 821 N ALA A 103 3.137 -6.222 -5.773 1.00 0.00 N ATOM 822 CA ALA A 103 3.261 -6.109 -4.330 1.00 0.00 C ATOM 823 C ALA A 103 4.667 -5.615 -3.982 1.00 0.00 C ATOM 824 O ALA A 103 4.823 -4.687 -3.188 1.00 0.00 O ATOM 825 CB ALA A 103 2.939 -7.458 -3.683 1.00 0.00 C ATOM 0 H ALA A 103 2.956 -7.167 -6.113 1.00 0.00 H new ATOM 0 HA ALA A 103 2.550 -5.382 -3.938 1.00 0.00 H new ATOM 0 HB1 ALA A 103 3.032 -7.374 -2.600 1.00 0.00 H new ATOM 0 HB2 ALA A 103 1.920 -7.750 -3.938 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.635 -8.213 -4.049 1.00 0.00 H new ATOM 831 N GLU A 104 5.652 -6.256 -4.591 1.00 0.00 N ATOM 832 CA GLU A 104 7.040 -5.922 -4.321 1.00 0.00 C ATOM 833 C GLU A 104 7.362 -4.523 -4.853 1.00 0.00 C ATOM 834 O GLU A 104 8.260 -3.853 -4.343 1.00 0.00 O ATOM 835 CB GLU A 104 7.983 -6.967 -4.924 1.00 0.00 C ATOM 836 CG GLU A 104 9.446 -6.582 -4.695 1.00 0.00 C ATOM 837 CD GLU A 104 10.378 -7.747 -5.033 1.00 0.00 C ATOM 838 OE1 GLU A 104 10.026 -8.504 -5.963 1.00 0.00 O ATOM 839 OE2 GLU A 104 11.421 -7.854 -4.353 1.00 0.00 O ATOM 0 H GLU A 104 5.517 -7.005 -5.270 1.00 0.00 H new ATOM 0 HA GLU A 104 7.190 -5.924 -3.241 1.00 0.00 H new ATOM 0 HB2 GLU A 104 7.785 -7.941 -4.477 1.00 0.00 H new ATOM 0 HB3 GLU A 104 7.791 -7.062 -5.993 1.00 0.00 H new ATOM 0 HG2 GLU A 104 9.699 -5.719 -5.310 1.00 0.00 H new ATOM 0 HG3 GLU A 104 9.590 -6.286 -3.656 1.00 0.00 H new ATOM 846 N ALA A 105 6.613 -4.125 -5.870 1.00 0.00 N ATOM 847 CA ALA A 105 6.812 -2.822 -6.481 1.00 0.00 C ATOM 848 C ALA A 105 6.337 -1.732 -5.516 1.00 0.00 C ATOM 849 O ALA A 105 7.070 -0.786 -5.232 1.00 0.00 O ATOM 850 CB ALA A 105 6.082 -2.769 -7.824 1.00 0.00 C ATOM 0 H ALA A 105 5.867 -4.682 -6.287 1.00 0.00 H new ATOM 0 HA ALA A 105 7.870 -2.650 -6.679 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.232 -1.791 -8.281 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.476 -3.542 -8.483 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.017 -2.936 -7.666 1.00 0.00 H new ATOM 856 N LEU A 106 5.112 -1.903 -5.039 1.00 0.00 N ATOM 857 CA LEU A 106 4.519 -0.930 -4.137 1.00 0.00 C ATOM 858 C LEU A 106 5.309 -0.909 -2.826 1.00 0.00 C ATOM 859 O LEU A 106 5.643 0.160 -2.317 1.00 0.00 O ATOM 860 CB LEU A 106 3.026 -1.213 -3.951 1.00 0.00 C ATOM 861 CG LEU A 106 2.281 -0.280 -2.994 1.00 0.00 C ATOM 862 CD1 LEU A 106 2.679 -0.550 -1.542 1.00 0.00 C ATOM 863 CD2 LEU A 106 2.492 1.185 -3.384 1.00 0.00 C ATOM 0 H LEU A 106 4.515 -2.700 -5.260 1.00 0.00 H new ATOM 0 HA LEU A 106 4.580 0.072 -4.563 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.542 -1.162 -4.927 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.912 -2.236 -3.592 1.00 0.00 H new ATOM 0 HG LEU A 106 1.214 -0.486 -3.077 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.135 0.127 -0.884 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.436 -1.581 -1.284 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.750 -0.389 -1.422 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.952 1.828 -2.689 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.555 1.422 -3.347 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.119 1.350 -4.395 1.00 0.00 H new ATOM 875 N LYS A 107 5.584 -2.101 -2.319 1.00 0.00 N ATOM 876 CA LYS A 107 6.305 -2.232 -1.064 1.00 0.00 C ATOM 877 C LYS A 107 7.621 -1.457 -1.152 1.00 0.00 C ATOM 878 O LYS A 107 7.935 -0.658 -0.272 1.00 0.00 O ATOM 879 CB LYS A 107 6.483 -3.708 -0.700 1.00 0.00 C ATOM 880 CG LYS A 107 7.116 -3.859 0.684 1.00 0.00 C ATOM 881 CD LYS A 107 7.047 -5.309 1.165 1.00 0.00 C ATOM 882 CE LYS A 107 8.172 -5.612 2.157 1.00 0.00 C ATOM 883 NZ LYS A 107 9.445 -5.849 1.442 1.00 0.00 N ATOM 0 H LYS A 107 5.321 -2.985 -2.754 1.00 0.00 H new ATOM 0 HA LYS A 107 5.731 -1.793 -0.248 1.00 0.00 H new ATOM 0 HB2 LYS A 107 5.516 -4.210 -0.718 1.00 0.00 H new ATOM 0 HB3 LYS A 107 7.110 -4.197 -1.446 1.00 0.00 H new ATOM 0 HG2 LYS A 107 8.156 -3.533 0.650 1.00 0.00 H new ATOM 0 HG3 LYS A 107 6.602 -3.212 1.395 1.00 0.00 H new ATOM 0 HD2 LYS A 107 6.082 -5.494 1.637 1.00 0.00 H new ATOM 0 HD3 LYS A 107 7.119 -5.983 0.311 1.00 0.00 H new ATOM 0 HE2 LYS A 107 8.287 -4.779 2.850 1.00 0.00 H new ATOM 0 HE3 LYS A 107 7.914 -6.488 2.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 9.972 -6.610 1.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 9.245 -6.125 0.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 10.014 -4.978 1.448 1.00 0.00 H new ATOM 897 N LYS A 108 8.354 -1.721 -2.224 1.00 0.00 N ATOM 898 CA LYS A 108 9.643 -1.081 -2.425 1.00 0.00 C ATOM 899 C LYS A 108 9.481 0.435 -2.286 1.00 0.00 C ATOM 900 O LYS A 108 10.327 1.101 -1.693 1.00 0.00 O ATOM 901 CB LYS A 108 10.256 -1.515 -3.757 1.00 0.00 C ATOM 902 CG LYS A 108 11.034 -2.824 -3.601 1.00 0.00 C ATOM 903 CD LYS A 108 11.455 -3.376 -4.965 1.00 0.00 C ATOM 904 CE LYS A 108 12.690 -2.646 -5.496 1.00 0.00 C ATOM 905 NZ LYS A 108 12.819 -2.841 -6.957 1.00 0.00 N ATOM 0 H LYS A 108 8.080 -2.369 -2.962 1.00 0.00 H new ATOM 0 HA LYS A 108 10.350 -1.399 -1.658 1.00 0.00 H new ATOM 0 HB2 LYS A 108 9.468 -1.642 -4.500 1.00 0.00 H new ATOM 0 HB3 LYS A 108 10.921 -0.734 -4.127 1.00 0.00 H new ATOM 0 HG2 LYS A 108 11.917 -2.656 -2.984 1.00 0.00 H new ATOM 0 HG3 LYS A 108 10.418 -3.558 -3.082 1.00 0.00 H new ATOM 0 HD2 LYS A 108 11.667 -4.442 -4.880 1.00 0.00 H new ATOM 0 HD3 LYS A 108 10.633 -3.270 -5.673 1.00 0.00 H new ATOM 0 HE2 LYS A 108 12.616 -1.582 -5.270 1.00 0.00 H new ATOM 0 HE3 LYS A 108 13.583 -3.017 -4.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 13.662 -2.339 -7.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 12.911 -3.856 -7.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 11.974 -2.465 -7.433 1.00 0.00 H new ATOM 919 N ALA A 109 8.389 0.934 -2.845 1.00 0.00 N ATOM 920 CA ALA A 109 8.136 2.366 -2.847 1.00 0.00 C ATOM 921 C ALA A 109 7.895 2.838 -1.411 1.00 0.00 C ATOM 922 O ALA A 109 8.361 3.907 -1.019 1.00 0.00 O ATOM 923 CB ALA A 109 6.956 2.675 -3.769 1.00 0.00 C ATOM 0 H ALA A 109 7.669 0.373 -3.300 1.00 0.00 H new ATOM 0 HA ALA A 109 9.000 2.908 -3.232 1.00 0.00 H new ATOM 0 HB1 ALA A 109 6.767 3.748 -3.770 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.190 2.347 -4.782 1.00 0.00 H new ATOM 0 HB3 ALA A 109 6.069 2.151 -3.413 1.00 0.00 H new ATOM 929 N LEU A 110 7.169 2.018 -0.666 1.00 0.00 N ATOM 930 CA LEU A 110 6.867 2.334 0.718 1.00 0.00 C ATOM 931 C LEU A 110 8.167 2.364 1.526 1.00 0.00 C ATOM 932 O LEU A 110 8.404 3.298 2.291 1.00 0.00 O ATOM 933 CB LEU A 110 5.821 1.366 1.273 1.00 0.00 C ATOM 934 CG LEU A 110 4.358 1.738 1.019 1.00 0.00 C ATOM 935 CD1 LEU A 110 3.781 2.528 2.195 1.00 0.00 C ATOM 936 CD2 LEU A 110 4.207 2.488 -0.306 1.00 0.00 C ATOM 0 H LEU A 110 6.781 1.134 -0.996 1.00 0.00 H new ATOM 0 HA LEU A 110 6.421 3.326 0.793 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.004 0.381 0.845 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.971 1.279 2.349 1.00 0.00 H new ATOM 0 HG LEU A 110 3.780 0.818 0.936 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.741 2.780 1.989 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.836 1.924 3.101 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.355 3.444 2.335 1.00 0.00 H new ATOM 0 HD21 LEU A 110 3.159 2.741 -0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 110 4.800 3.402 -0.276 1.00 0.00 H new ATOM 0 HD23 LEU A 110 4.554 1.856 -1.123 1.00 0.00 H new ATOM 948 N GLU A 111 8.974 1.333 1.326 1.00 0.00 N ATOM 949 CA GLU A 111 10.206 1.190 2.082 1.00 0.00 C ATOM 950 C GLU A 111 11.191 2.298 1.705 1.00 0.00 C ATOM 951 O GLU A 111 11.921 2.801 2.558 1.00 0.00 O ATOM 952 CB GLU A 111 10.827 -0.192 1.864 1.00 0.00 C ATOM 953 CG GLU A 111 9.932 -1.291 2.442 1.00 0.00 C ATOM 954 CD GLU A 111 10.750 -2.537 2.789 1.00 0.00 C ATOM 955 OE1 GLU A 111 11.460 -2.480 3.815 1.00 0.00 O ATOM 956 OE2 GLU A 111 10.646 -3.516 2.020 1.00 0.00 O ATOM 0 H GLU A 111 8.799 0.589 0.651 1.00 0.00 H new ATOM 0 HA GLU A 111 9.971 1.283 3.142 1.00 0.00 H new ATOM 0 HB2 GLU A 111 10.978 -0.363 0.798 1.00 0.00 H new ATOM 0 HB3 GLU A 111 11.809 -0.232 2.335 1.00 0.00 H new ATOM 0 HG2 GLU A 111 9.428 -0.922 3.335 1.00 0.00 H new ATOM 0 HG3 GLU A 111 9.156 -1.550 1.722 1.00 0.00 H new ATOM 963 N GLU A 112 11.180 2.647 0.427 1.00 0.00 N ATOM 964 CA GLU A 112 12.051 3.699 -0.070 1.00 0.00 C ATOM 965 C GLU A 112 11.788 5.005 0.683 1.00 0.00 C ATOM 966 O GLU A 112 12.717 5.754 0.975 1.00 0.00 O ATOM 967 CB GLU A 112 11.874 3.890 -1.578 1.00 0.00 C ATOM 968 CG GLU A 112 12.683 2.854 -2.360 1.00 0.00 C ATOM 969 CD GLU A 112 14.115 3.339 -2.594 1.00 0.00 C ATOM 970 OE1 GLU A 112 14.865 3.399 -1.596 1.00 0.00 O ATOM 971 OE2 GLU A 112 14.428 3.638 -3.767 1.00 0.00 O ATOM 0 H GLU A 112 10.581 2.220 -0.280 1.00 0.00 H new ATOM 0 HA GLU A 112 13.085 3.402 0.107 1.00 0.00 H new ATOM 0 HB2 GLU A 112 10.819 3.804 -1.838 1.00 0.00 H new ATOM 0 HB3 GLU A 112 12.191 4.894 -1.861 1.00 0.00 H new ATOM 0 HG2 GLU A 112 12.699 1.912 -1.813 1.00 0.00 H new ATOM 0 HG3 GLU A 112 12.201 2.658 -3.318 1.00 0.00 H new ATOM 978 N ALA A 113 10.515 5.237 0.973 1.00 0.00 N ATOM 979 CA ALA A 113 10.115 6.452 1.663 1.00 0.00 C ATOM 980 C ALA A 113 10.330 6.274 3.167 1.00 0.00 C ATOM 981 O ALA A 113 10.636 7.234 3.873 1.00 0.00 O ATOM 982 CB ALA A 113 8.662 6.782 1.316 1.00 0.00 C ATOM 0 H ALA A 113 9.748 4.605 0.743 1.00 0.00 H new ATOM 0 HA ALA A 113 10.726 7.295 1.341 1.00 0.00 H new ATOM 0 HB1 ALA A 113 8.362 7.693 1.834 1.00 0.00 H new ATOM 0 HB2 ALA A 113 8.569 6.929 0.240 1.00 0.00 H new ATOM 0 HB3 ALA A 113 8.018 5.960 1.627 1.00 0.00 H new ATOM 988 N GLY A 114 10.161 5.038 3.614 1.00 0.00 N ATOM 989 CA GLY A 114 10.327 4.723 5.023 1.00 0.00 C ATOM 990 C GLY A 114 8.971 4.520 5.703 1.00 0.00 C ATOM 991 O GLY A 114 8.632 5.239 6.643 1.00 0.00 O ATOM 0 H GLY A 114 9.911 4.243 3.026 1.00 0.00 H new ATOM 0 HA2 GLY A 114 10.930 3.821 5.129 1.00 0.00 H new ATOM 0 HA3 GLY A 114 10.869 5.529 5.518 1.00 0.00 H new ATOM 995 N ALA A 115 8.233 3.543 5.202 1.00 0.00 N ATOM 996 CA ALA A 115 6.906 3.262 5.724 1.00 0.00 C ATOM 997 C ALA A 115 6.794 1.773 6.049 1.00 0.00 C ATOM 998 O ALA A 115 7.622 0.974 5.613 1.00 0.00 O ATOM 999 CB ALA A 115 5.853 3.719 4.712 1.00 0.00 C ATOM 0 H ALA A 115 8.528 2.934 4.439 1.00 0.00 H new ATOM 0 HA ALA A 115 6.733 3.814 6.648 1.00 0.00 H new ATOM 0 HB1 ALA A 115 4.857 3.509 5.103 1.00 0.00 H new ATOM 0 HB2 ALA A 115 5.956 4.790 4.539 1.00 0.00 H new ATOM 0 HB3 ALA A 115 5.995 3.184 3.773 1.00 0.00 H new ATOM 1005 N GLU A 116 5.764 1.442 6.814 1.00 0.00 N ATOM 1006 CA GLU A 116 5.543 0.063 7.218 1.00 0.00 C ATOM 1007 C GLU A 116 4.422 -0.561 6.384 1.00 0.00 C ATOM 1008 O GLU A 116 3.302 -0.050 6.361 1.00 0.00 O ATOM 1009 CB GLU A 116 5.229 -0.027 8.712 1.00 0.00 C ATOM 1010 CG GLU A 116 5.302 -1.476 9.201 1.00 0.00 C ATOM 1011 CD GLU A 116 5.898 -1.551 10.607 1.00 0.00 C ATOM 1012 OE1 GLU A 116 6.987 -0.966 10.794 1.00 0.00 O ATOM 1013 OE2 GLU A 116 5.252 -2.192 11.465 1.00 0.00 O ATOM 0 H GLU A 116 5.073 2.105 7.165 1.00 0.00 H new ATOM 0 HA GLU A 116 6.460 -0.499 7.038 1.00 0.00 H new ATOM 0 HB2 GLU A 116 5.934 0.586 9.273 1.00 0.00 H new ATOM 0 HB3 GLU A 116 4.234 0.376 8.903 1.00 0.00 H new ATOM 0 HG2 GLU A 116 4.304 -1.914 9.202 1.00 0.00 H new ATOM 0 HG3 GLU A 116 5.908 -2.065 8.513 1.00 0.00 H new ATOM 1020 N VAL A 117 4.762 -1.654 5.718 1.00 0.00 N ATOM 1021 CA VAL A 117 3.811 -2.326 4.847 1.00 0.00 C ATOM 1022 C VAL A 117 3.457 -3.690 5.441 1.00 0.00 C ATOM 1023 O VAL A 117 4.143 -4.178 6.337 1.00 0.00 O ATOM 1024 CB VAL A 117 4.378 -2.420 3.428 1.00 0.00 C ATOM 1025 CG1 VAL A 117 3.324 -2.943 2.450 1.00 0.00 C ATOM 1026 CG2 VAL A 117 4.931 -1.070 2.968 1.00 0.00 C ATOM 0 H VAL A 117 5.682 -2.092 5.763 1.00 0.00 H new ATOM 0 HA VAL A 117 2.886 -1.753 4.776 1.00 0.00 H new ATOM 0 HB VAL A 117 5.203 -3.132 3.443 1.00 0.00 H new ATOM 0 HG11 VAL A 117 3.753 -3.000 1.449 1.00 0.00 H new ATOM 0 HG12 VAL A 117 2.998 -3.935 2.762 1.00 0.00 H new ATOM 0 HG13 VAL A 117 2.469 -2.267 2.440 1.00 0.00 H new ATOM 0 HG21 VAL A 117 5.328 -1.165 1.957 1.00 0.00 H new ATOM 0 HG22 VAL A 117 4.133 -0.328 2.977 1.00 0.00 H new ATOM 0 HG23 VAL A 117 5.727 -0.754 3.642 1.00 0.00 H new ATOM 1036 N GLU A 118 2.386 -4.267 4.917 1.00 0.00 N ATOM 1037 CA GLU A 118 1.968 -5.594 5.340 1.00 0.00 C ATOM 1038 C GLU A 118 1.623 -6.454 4.123 1.00 0.00 C ATOM 1039 O GLU A 118 0.875 -6.023 3.247 1.00 0.00 O ATOM 1040 CB GLU A 118 0.788 -5.514 6.309 1.00 0.00 C ATOM 1041 CG GLU A 118 0.053 -6.854 6.388 1.00 0.00 C ATOM 1042 CD GLU A 118 -0.889 -6.892 7.593 1.00 0.00 C ATOM 1043 OE1 GLU A 118 -0.461 -6.410 8.665 1.00 0.00 O ATOM 1044 OE2 GLU A 118 -2.016 -7.404 7.418 1.00 0.00 O ATOM 0 H GLU A 118 1.795 -3.841 4.204 1.00 0.00 H new ATOM 0 HA GLU A 118 2.797 -6.064 5.869 1.00 0.00 H new ATOM 0 HB2 GLU A 118 1.144 -5.232 7.300 1.00 0.00 H new ATOM 0 HB3 GLU A 118 0.098 -4.735 5.984 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -0.516 -7.016 5.472 1.00 0.00 H new ATOM 0 HG3 GLU A 118 0.776 -7.666 6.462 1.00 0.00 H new ATOM 1051 N VAL A 119 2.184 -7.655 4.109 1.00 0.00 N ATOM 1052 CA VAL A 119 1.934 -8.584 3.019 1.00 0.00 C ATOM 1053 C VAL A 119 1.139 -9.780 3.549 1.00 0.00 C ATOM 1054 O VAL A 119 1.582 -10.466 4.468 1.00 0.00 O ATOM 1055 CB VAL A 119 3.255 -8.988 2.362 1.00 0.00 C ATOM 1056 CG1 VAL A 119 3.016 -9.949 1.197 1.00 0.00 C ATOM 1057 CG2 VAL A 119 4.038 -7.755 1.904 1.00 0.00 C ATOM 0 H VAL A 119 2.810 -8.006 4.834 1.00 0.00 H new ATOM 0 HA VAL A 119 1.333 -8.111 2.243 1.00 0.00 H new ATOM 0 HB VAL A 119 3.855 -9.509 3.108 1.00 0.00 H new ATOM 0 HG11 VAL A 119 3.971 -10.221 0.747 1.00 0.00 H new ATOM 0 HG12 VAL A 119 2.519 -10.847 1.563 1.00 0.00 H new ATOM 0 HG13 VAL A 119 2.388 -9.465 0.449 1.00 0.00 H new ATOM 0 HG21 VAL A 119 4.973 -8.069 1.440 1.00 0.00 H new ATOM 0 HG22 VAL A 119 3.445 -7.195 1.181 1.00 0.00 H new ATOM 0 HG23 VAL A 119 4.255 -7.121 2.764 1.00 0.00 H new ATOM 1067 N LYS A 120 -0.021 -9.994 2.945 1.00 0.00 N ATOM 1068 CA LYS A 120 -0.887 -11.086 3.354 1.00 0.00 C ATOM 1069 C LYS A 120 -1.380 -11.833 2.113 1.00 0.00 C ATOM 1070 O LYS A 120 -1.097 -11.426 0.986 1.00 0.00 O ATOM 1071 CB LYS A 120 -2.017 -10.567 4.247 1.00 0.00 C ATOM 1072 CG LYS A 120 -1.714 -10.833 5.724 1.00 0.00 C ATOM 1073 CD LYS A 120 -2.840 -10.312 6.617 1.00 0.00 C ATOM 1074 CE LYS A 120 -2.412 -10.298 8.087 1.00 0.00 C ATOM 1075 NZ LYS A 120 -3.315 -9.434 8.880 1.00 0.00 N ATOM 1076 OXT LYS A 120 -2.088 -12.883 2.354 1.00 0.00 O ATOM 0 H LYS A 120 -0.381 -9.429 2.176 1.00 0.00 H new ATOM 0 HA LYS A 120 -0.334 -11.804 3.960 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -2.150 -9.497 4.086 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -2.954 -11.050 3.971 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -1.583 -11.903 5.885 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -0.775 -10.352 5.999 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -3.119 -9.305 6.306 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -3.723 -10.939 6.498 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -2.426 -11.312 8.486 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -1.387 -9.937 8.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -3.120 -9.566 9.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -3.157 -8.439 8.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -4.303 -9.690 8.681 1.00 0.00 H new