USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=10 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= 0.476 K(o=0.48,f=-5!) USER MOD Single : A 65 LYS NZ :NH3+ 179:sc= 0.353 (180deg=0.35) USER MOD Single : A 70 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0214) USER MOD Single : A 76 THR OG1 : rot -74:sc= 0.94 USER MOD Single : A 81 LYS NZ :NH3+ -166:sc= 2.37 (180deg=1.87) USER MOD Single : A 84 LYS NZ :NH3+ 141:sc= 1.24 (180deg=0.0344) USER MOD Single : A 89 SER OG : rot -36:sc= 1.22 USER MOD Single : A 95 LYS NZ :NH3+ -121:sc= -0.474 (180deg=-1.31!) USER MOD Single : A 99 SER OG : rot -95:sc= -1.35 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ -116:sc= 0.452 (180deg=-0.0671) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 153:sc= 0.926 (180deg=0.349) USER MOD ----------------------------------------------------------------- ATOM 87 N GLU A 53 -2.420 -14.365 -5.422 1.00 0.00 N ATOM 88 CA GLU A 53 -3.111 -13.113 -5.168 1.00 0.00 C ATOM 89 C GLU A 53 -2.740 -12.572 -3.784 1.00 0.00 C ATOM 90 O GLU A 53 -3.165 -13.116 -2.766 1.00 0.00 O ATOM 91 CB GLU A 53 -4.626 -13.288 -5.299 1.00 0.00 C ATOM 92 CG GLU A 53 -5.092 -12.973 -6.721 1.00 0.00 C ATOM 93 CD GLU A 53 -6.615 -13.083 -6.835 1.00 0.00 C ATOM 94 OE1 GLU A 53 -7.106 -14.231 -6.778 1.00 0.00 O ATOM 95 OE2 GLU A 53 -7.251 -12.017 -6.977 1.00 0.00 O ATOM 0 HA GLU A 53 -2.794 -12.387 -5.917 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.902 -14.310 -5.040 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.134 -12.632 -4.592 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.774 -11.968 -6.997 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.620 -13.661 -7.423 1.00 0.00 H new ATOM 102 N PHE A 54 -1.952 -11.507 -3.793 1.00 0.00 N ATOM 103 CA PHE A 54 -1.503 -10.899 -2.552 1.00 0.00 C ATOM 104 C PHE A 54 -2.248 -9.591 -2.281 1.00 0.00 C ATOM 105 O PHE A 54 -2.650 -8.896 -3.214 1.00 0.00 O ATOM 106 CB PHE A 54 -0.012 -10.597 -2.717 1.00 0.00 C ATOM 107 CG PHE A 54 0.869 -11.844 -2.819 1.00 0.00 C ATOM 108 CD1 PHE A 54 0.981 -12.504 -4.003 1.00 0.00 C ATOM 109 CD2 PHE A 54 1.539 -12.294 -1.725 1.00 0.00 C ATOM 110 CE1 PHE A 54 1.797 -13.661 -4.097 1.00 0.00 C ATOM 111 CE2 PHE A 54 2.356 -13.452 -1.818 1.00 0.00 C ATOM 112 CZ PHE A 54 2.468 -14.111 -3.004 1.00 0.00 C ATOM 0 H PHE A 54 -1.613 -11.050 -4.639 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.693 -11.574 -1.717 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.128 -9.991 -3.612 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.322 -9.997 -1.871 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.448 -12.147 -4.872 1.00 0.00 H new ATOM 0 HD2 PHE A 54 1.450 -11.771 -0.785 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.885 -14.184 -5.038 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.888 -13.809 -0.949 1.00 0.00 H new ATOM 0 HZ PHE A 54 3.090 -14.991 -3.076 1.00 0.00 H new ATOM 122 N ASP A 55 -2.412 -9.295 -1.001 1.00 0.00 N ATOM 123 CA ASP A 55 -3.087 -8.074 -0.595 1.00 0.00 C ATOM 124 C ASP A 55 -2.069 -7.114 0.022 1.00 0.00 C ATOM 125 O ASP A 55 -1.376 -7.466 0.976 1.00 0.00 O ATOM 126 CB ASP A 55 -4.161 -8.363 0.457 1.00 0.00 C ATOM 127 CG ASP A 55 -5.416 -9.058 -0.076 1.00 0.00 C ATOM 128 OD1 ASP A 55 -5.307 -9.678 -1.156 1.00 0.00 O ATOM 129 OD2 ASP A 55 -6.457 -8.953 0.609 1.00 0.00 O ATOM 0 H ASP A 55 -2.089 -9.880 -0.230 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.554 -7.637 -1.478 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.724 -8.984 1.239 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.455 -7.422 0.923 1.00 0.00 H new ATOM 134 N VAL A 56 -2.010 -5.918 -0.548 1.00 0.00 N ATOM 135 CA VAL A 56 -1.088 -4.905 -0.065 1.00 0.00 C ATOM 136 C VAL A 56 -1.807 -4.001 0.939 1.00 0.00 C ATOM 137 O VAL A 56 -2.679 -3.221 0.562 1.00 0.00 O ATOM 138 CB VAL A 56 -0.495 -4.133 -1.245 1.00 0.00 C ATOM 139 CG1 VAL A 56 0.517 -3.089 -0.766 1.00 0.00 C ATOM 140 CG2 VAL A 56 0.139 -5.086 -2.261 1.00 0.00 C ATOM 0 H VAL A 56 -2.586 -5.629 -1.339 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.252 -5.369 0.458 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.309 -3.606 -1.743 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.923 -2.555 -1.625 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.023 -2.382 -0.100 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.327 -3.586 -0.232 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.553 -4.511 -3.090 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.935 -5.654 -1.780 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.619 -5.772 -2.638 1.00 0.00 H new ATOM 150 N ILE A 57 -1.416 -4.140 2.197 1.00 0.00 N ATOM 151 CA ILE A 57 -2.024 -3.356 3.260 1.00 0.00 C ATOM 152 C ILE A 57 -1.026 -2.301 3.741 1.00 0.00 C ATOM 153 O ILE A 57 0.182 -2.532 3.727 1.00 0.00 O ATOM 154 CB ILE A 57 -2.537 -4.270 4.373 1.00 0.00 C ATOM 155 CG1 ILE A 57 -3.809 -5.001 3.939 1.00 0.00 C ATOM 156 CG2 ILE A 57 -2.741 -3.489 5.673 1.00 0.00 C ATOM 157 CD1 ILE A 57 -3.951 -6.336 4.671 1.00 0.00 C ATOM 0 H ILE A 57 -0.686 -4.783 2.505 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.899 -2.823 2.889 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.779 -5.029 4.568 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.679 -4.376 4.142 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.785 -5.173 2.863 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.106 -4.162 6.448 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.793 -3.053 5.988 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.469 -2.695 5.510 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.863 -6.835 4.344 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.091 -6.967 4.446 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.000 -6.158 5.745 1.00 0.00 H new ATOM 169 N LEU A 58 -1.568 -1.164 4.155 1.00 0.00 N ATOM 170 CA LEU A 58 -0.747 -0.098 4.702 1.00 0.00 C ATOM 171 C LEU A 58 -0.982 -0.001 6.211 1.00 0.00 C ATOM 172 O LEU A 58 -2.110 0.207 6.654 1.00 0.00 O ATOM 173 CB LEU A 58 -1.002 1.211 3.954 1.00 0.00 C ATOM 174 CG LEU A 58 -0.519 2.486 4.648 1.00 0.00 C ATOM 175 CD1 LEU A 58 1.010 2.526 4.719 1.00 0.00 C ATOM 176 CD2 LEU A 58 -1.092 3.731 3.971 1.00 0.00 C ATOM 0 H LEU A 58 -2.567 -0.959 4.122 1.00 0.00 H new ATOM 0 HA LEU A 58 0.311 -0.320 4.558 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.521 1.148 2.978 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.074 1.302 3.776 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.890 2.477 5.673 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.327 3.442 5.217 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.371 1.664 5.281 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.422 2.500 3.710 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.732 4.623 4.485 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.772 3.759 2.929 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.181 3.701 4.016 1.00 0.00 H new ATOM 188 N LYS A 59 0.101 -0.156 6.958 1.00 0.00 N ATOM 189 CA LYS A 59 0.019 -0.133 8.408 1.00 0.00 C ATOM 190 C LYS A 59 0.327 1.280 8.909 1.00 0.00 C ATOM 191 O LYS A 59 -0.480 1.879 9.616 1.00 0.00 O ATOM 192 CB LYS A 59 0.922 -1.210 9.012 1.00 0.00 C ATOM 193 CG LYS A 59 0.214 -2.566 9.044 1.00 0.00 C ATOM 194 CD LYS A 59 1.079 -3.621 9.735 1.00 0.00 C ATOM 195 CE LYS A 59 0.315 -4.936 9.897 1.00 0.00 C ATOM 196 NZ LYS A 59 -0.590 -4.870 11.066 1.00 0.00 N ATOM 0 H LYS A 59 1.040 -0.298 6.586 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.992 -0.375 8.737 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.840 -1.289 8.429 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.210 -0.923 10.023 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.737 -2.471 9.568 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.012 -2.886 8.027 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.985 -3.792 9.153 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.393 -3.256 10.713 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.261 -5.142 8.995 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.019 -5.759 10.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.101 -5.771 11.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.033 -4.695 11.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.273 -4.097 10.933 1.00 0.00 H new ATOM 210 N ALA A 60 1.496 1.769 8.522 1.00 0.00 N ATOM 211 CA ALA A 60 1.938 3.084 8.957 1.00 0.00 C ATOM 212 C ALA A 60 2.663 3.780 7.804 1.00 0.00 C ATOM 213 O ALA A 60 3.642 3.256 7.274 1.00 0.00 O ATOM 214 CB ALA A 60 2.821 2.941 10.199 1.00 0.00 C ATOM 0 H ALA A 60 2.151 1.279 7.912 1.00 0.00 H new ATOM 0 HA ALA A 60 1.085 3.704 9.233 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.152 3.927 10.525 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.251 2.467 10.998 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.689 2.327 9.959 1.00 0.00 H new ATOM 220 N ALA A 61 2.153 4.951 7.449 1.00 0.00 N ATOM 221 CA ALA A 61 2.757 5.738 6.388 1.00 0.00 C ATOM 222 C ALA A 61 4.164 6.164 6.811 1.00 0.00 C ATOM 223 O ALA A 61 5.012 6.450 5.967 1.00 0.00 O ATOM 224 CB ALA A 61 1.858 6.934 6.064 1.00 0.00 C ATOM 0 H ALA A 61 1.329 5.373 7.877 1.00 0.00 H new ATOM 0 HA ALA A 61 2.852 5.145 5.478 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.311 7.525 5.268 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.880 6.577 5.740 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.741 7.553 6.954 1.00 0.00 H new ATOM 230 N GLY A 62 4.369 6.194 8.120 1.00 0.00 N ATOM 231 CA GLY A 62 5.654 6.594 8.668 1.00 0.00 C ATOM 232 C GLY A 62 5.841 8.110 8.574 1.00 0.00 C ATOM 233 O GLY A 62 4.866 8.856 8.506 1.00 0.00 O ATOM 0 H GLY A 62 3.666 5.948 8.817 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.724 6.279 9.709 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.456 6.091 8.128 1.00 0.00 H new ATOM 237 N ALA A 63 7.100 8.520 8.575 1.00 0.00 N ATOM 238 CA ALA A 63 7.427 9.936 8.555 1.00 0.00 C ATOM 239 C ALA A 63 7.565 10.401 7.103 1.00 0.00 C ATOM 240 O ALA A 63 8.444 11.201 6.786 1.00 0.00 O ATOM 241 CB ALA A 63 8.700 10.178 9.369 1.00 0.00 C ATOM 0 H ALA A 63 7.907 7.896 8.589 1.00 0.00 H new ATOM 0 HA ALA A 63 6.631 10.521 9.015 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.945 11.240 9.354 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.540 9.857 10.398 1.00 0.00 H new ATOM 0 HB3 ALA A 63 9.523 9.610 8.935 1.00 0.00 H new ATOM 247 N ASN A 64 6.684 9.880 6.263 1.00 0.00 N ATOM 248 CA ASN A 64 6.694 10.237 4.854 1.00 0.00 C ATOM 249 C ASN A 64 5.289 10.052 4.275 1.00 0.00 C ATOM 250 O ASN A 64 5.109 9.345 3.285 1.00 0.00 O ATOM 251 CB ASN A 64 7.651 9.338 4.066 1.00 0.00 C ATOM 252 CG ASN A 64 8.179 10.058 2.823 1.00 0.00 C ATOM 253 OD1 ASN A 64 7.503 10.866 2.207 1.00 0.00 O ATOM 254 ND2 ASN A 64 9.421 9.720 2.490 1.00 0.00 N ATOM 0 H ASN A 64 5.959 9.214 6.530 1.00 0.00 H new ATOM 0 HA ASN A 64 7.020 11.274 4.771 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.486 9.043 4.702 1.00 0.00 H new ATOM 0 HB3 ASN A 64 7.137 8.424 3.770 1.00 0.00 H new ATOM 0 HD21 ASN A 64 9.864 10.144 1.675 1.00 0.00 H new ATOM 0 HD22 ASN A 64 9.931 9.036 3.049 1.00 0.00 H new ATOM 261 N LYS A 65 4.331 10.702 4.920 1.00 0.00 N ATOM 262 CA LYS A 65 2.945 10.609 4.490 1.00 0.00 C ATOM 263 C LYS A 65 2.821 11.136 3.060 1.00 0.00 C ATOM 264 O LYS A 65 1.904 10.760 2.333 1.00 0.00 O ATOM 265 CB LYS A 65 2.026 11.315 5.488 1.00 0.00 C ATOM 266 CG LYS A 65 0.752 10.503 5.729 1.00 0.00 C ATOM 267 CD LYS A 65 -0.043 11.070 6.908 1.00 0.00 C ATOM 268 CE LYS A 65 -1.170 11.984 6.420 1.00 0.00 C ATOM 269 NZ LYS A 65 -1.844 12.633 7.568 1.00 0.00 N ATOM 0 H LYS A 65 4.486 11.294 5.736 1.00 0.00 H new ATOM 0 HA LYS A 65 2.621 9.568 4.474 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.552 11.462 6.431 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.765 12.304 5.111 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.135 10.513 4.831 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.011 9.463 5.927 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.461 10.253 7.496 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.623 11.628 7.566 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.766 12.744 5.751 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.893 11.405 5.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.595 13.263 7.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.261 11.905 8.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.151 13.188 8.109 1.00 0.00 H new ATOM 283 N VAL A 66 3.761 11.999 2.699 1.00 0.00 N ATOM 284 CA VAL A 66 3.753 12.601 1.376 1.00 0.00 C ATOM 285 C VAL A 66 3.971 11.512 0.323 1.00 0.00 C ATOM 286 O VAL A 66 3.118 11.294 -0.536 1.00 0.00 O ATOM 287 CB VAL A 66 4.797 13.718 1.305 1.00 0.00 C ATOM 288 CG1 VAL A 66 4.984 14.203 -0.134 1.00 0.00 C ATOM 289 CG2 VAL A 66 4.425 14.877 2.229 1.00 0.00 C ATOM 0 H VAL A 66 4.531 12.295 3.299 1.00 0.00 H new ATOM 0 HA VAL A 66 2.787 13.062 1.171 1.00 0.00 H new ATOM 0 HB VAL A 66 5.748 13.309 1.648 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.731 14.997 -0.156 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.317 13.373 -0.757 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.037 14.585 -0.515 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.184 15.656 2.159 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.458 15.284 1.932 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.367 14.519 3.257 1.00 0.00 H new ATOM 299 N ALA A 67 5.117 10.854 0.426 1.00 0.00 N ATOM 300 CA ALA A 67 5.474 9.820 -0.529 1.00 0.00 C ATOM 301 C ALA A 67 4.374 8.757 -0.559 1.00 0.00 C ATOM 302 O ALA A 67 3.959 8.317 -1.630 1.00 0.00 O ATOM 303 CB ALA A 67 6.840 9.236 -0.164 1.00 0.00 C ATOM 0 H ALA A 67 5.810 11.018 1.157 1.00 0.00 H new ATOM 0 HA ALA A 67 5.556 10.237 -1.533 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.107 8.460 -0.881 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.591 10.026 -0.187 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.796 8.806 0.837 1.00 0.00 H new ATOM 309 N VAL A 68 3.933 8.375 0.630 1.00 0.00 N ATOM 310 CA VAL A 68 2.908 7.352 0.755 1.00 0.00 C ATOM 311 C VAL A 68 1.681 7.765 -0.059 1.00 0.00 C ATOM 312 O VAL A 68 1.284 7.064 -0.989 1.00 0.00 O ATOM 313 CB VAL A 68 2.591 7.107 2.231 1.00 0.00 C ATOM 314 CG1 VAL A 68 1.347 6.231 2.387 1.00 0.00 C ATOM 315 CG2 VAL A 68 3.790 6.490 2.955 1.00 0.00 C ATOM 0 H VAL A 68 4.266 8.755 1.516 1.00 0.00 H new ATOM 0 HA VAL A 68 3.263 6.404 0.351 1.00 0.00 H new ATOM 0 HB VAL A 68 2.381 8.072 2.692 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.144 6.072 3.446 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.493 6.726 1.924 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.516 5.270 1.902 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.538 6.326 4.003 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.045 5.538 2.490 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.642 7.166 2.889 1.00 0.00 H new ATOM 325 N ILE A 69 1.114 8.901 0.320 1.00 0.00 N ATOM 326 CA ILE A 69 -0.100 9.382 -0.321 1.00 0.00 C ATOM 327 C ILE A 69 0.075 9.327 -1.840 1.00 0.00 C ATOM 328 O ILE A 69 -0.871 9.027 -2.566 1.00 0.00 O ATOM 329 CB ILE A 69 -0.469 10.770 0.206 1.00 0.00 C ATOM 330 CG1 ILE A 69 -1.107 10.679 1.593 1.00 0.00 C ATOM 331 CG2 ILE A 69 -1.362 11.514 -0.789 1.00 0.00 C ATOM 332 CD1 ILE A 69 -1.101 12.041 2.291 1.00 0.00 C ATOM 0 H ILE A 69 1.472 9.502 1.062 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.944 8.738 -0.073 1.00 0.00 H new ATOM 0 HB ILE A 69 0.448 11.350 0.312 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.131 10.317 1.503 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.565 9.953 2.199 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.610 12.498 -0.390 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.835 11.629 -1.736 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.278 10.946 -0.950 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.560 11.948 3.275 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.074 12.389 2.402 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.665 12.758 1.694 1.00 0.00 H new ATOM 344 N LYS A 70 1.291 9.621 -2.274 1.00 0.00 N ATOM 345 CA LYS A 70 1.602 9.609 -3.694 1.00 0.00 C ATOM 346 C LYS A 70 1.482 8.181 -4.227 1.00 0.00 C ATOM 347 O LYS A 70 0.782 7.934 -5.208 1.00 0.00 O ATOM 348 CB LYS A 70 2.968 10.249 -3.950 1.00 0.00 C ATOM 349 CG LYS A 70 2.866 11.775 -3.960 1.00 0.00 C ATOM 350 CD LYS A 70 4.241 12.416 -4.155 1.00 0.00 C ATOM 351 CE LYS A 70 4.112 13.823 -4.744 1.00 0.00 C ATOM 352 NZ LYS A 70 3.439 14.726 -3.785 1.00 0.00 N ATOM 0 H LYS A 70 2.073 9.869 -1.668 1.00 0.00 H new ATOM 0 HA LYS A 70 0.884 10.216 -4.245 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.671 9.933 -3.180 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.363 9.901 -4.904 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.196 12.093 -4.759 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.430 12.120 -3.022 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.762 12.465 -3.199 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.845 11.795 -4.816 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.100 14.213 -4.988 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.546 13.784 -5.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.450 15.697 -4.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.455 14.418 -3.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.938 14.698 -2.873 1.00 0.00 H new ATOM 366 N ALA A 71 2.178 7.274 -3.555 1.00 0.00 N ATOM 367 CA ALA A 71 2.172 5.877 -3.956 1.00 0.00 C ATOM 368 C ALA A 71 0.727 5.377 -4.028 1.00 0.00 C ATOM 369 O ALA A 71 0.351 4.688 -4.974 1.00 0.00 O ATOM 370 CB ALA A 71 3.022 5.061 -2.982 1.00 0.00 C ATOM 0 H ALA A 71 2.750 7.480 -2.736 1.00 0.00 H new ATOM 0 HA ALA A 71 2.611 5.762 -4.947 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.017 4.014 -3.284 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.046 5.436 -2.990 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.611 5.151 -1.977 1.00 0.00 H new ATOM 376 N VAL A 72 -0.044 5.746 -3.015 1.00 0.00 N ATOM 377 CA VAL A 72 -1.435 5.334 -2.945 1.00 0.00 C ATOM 378 C VAL A 72 -2.179 5.855 -4.176 1.00 0.00 C ATOM 379 O VAL A 72 -2.555 5.080 -5.053 1.00 0.00 O ATOM 380 CB VAL A 72 -2.055 5.806 -1.628 1.00 0.00 C ATOM 381 CG1 VAL A 72 -3.551 5.490 -1.582 1.00 0.00 C ATOM 382 CG2 VAL A 72 -1.328 5.192 -0.429 1.00 0.00 C ATOM 0 H VAL A 72 0.269 6.326 -2.236 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.512 4.247 -2.954 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.939 6.888 -1.572 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.967 5.836 -0.636 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.055 5.995 -2.406 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.698 4.414 -1.671 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.788 5.544 0.494 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.398 4.105 -0.479 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.280 5.489 -0.448 1.00 0.00 H new ATOM 392 N ARG A 73 -2.372 7.165 -4.202 1.00 0.00 N ATOM 393 CA ARG A 73 -3.093 7.795 -5.294 1.00 0.00 C ATOM 394 C ARG A 73 -2.568 7.287 -6.638 1.00 0.00 C ATOM 395 O ARG A 73 -3.325 7.172 -7.602 1.00 0.00 O ATOM 396 CB ARG A 73 -2.953 9.318 -5.243 1.00 0.00 C ATOM 397 CG ARG A 73 -3.920 9.992 -6.216 1.00 0.00 C ATOM 398 CD ARG A 73 -3.246 10.257 -7.565 1.00 0.00 C ATOM 399 NE ARG A 73 -3.341 11.696 -7.903 1.00 0.00 N ATOM 400 CZ ARG A 73 -4.467 12.299 -8.309 1.00 0.00 C ATOM 401 NH1 ARG A 73 -5.605 11.599 -8.403 1.00 0.00 N ATOM 402 NH2 ARG A 73 -4.454 13.602 -8.618 1.00 0.00 N ATOM 0 H ARG A 73 -2.041 7.808 -3.483 1.00 0.00 H new ATOM 0 HA ARG A 73 -4.146 7.536 -5.188 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.147 9.670 -4.230 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.929 9.601 -5.488 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.795 9.359 -6.361 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.273 10.932 -5.791 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.200 9.952 -7.525 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.722 9.660 -8.343 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.497 12.263 -7.822 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.615 10.607 -8.166 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -6.462 12.058 -8.712 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -3.587 14.135 -8.544 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -5.311 14.061 -8.927 1.00 0.00 H new ATOM 416 N GLY A 74 -1.276 6.996 -6.662 1.00 0.00 N ATOM 417 CA GLY A 74 -0.630 6.557 -7.887 1.00 0.00 C ATOM 418 C GLY A 74 -1.048 5.129 -8.246 1.00 0.00 C ATOM 419 O GLY A 74 -1.158 4.787 -9.422 1.00 0.00 O ATOM 0 H GLY A 74 -0.659 7.056 -5.852 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.891 7.232 -8.702 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.453 6.604 -7.769 1.00 0.00 H new ATOM 423 N ALA A 75 -1.271 4.334 -7.209 1.00 0.00 N ATOM 424 CA ALA A 75 -1.601 2.931 -7.400 1.00 0.00 C ATOM 425 C ALA A 75 -3.108 2.791 -7.621 1.00 0.00 C ATOM 426 O ALA A 75 -3.567 1.798 -8.183 1.00 0.00 O ATOM 427 CB ALA A 75 -1.112 2.124 -6.195 1.00 0.00 C ATOM 0 H ALA A 75 -1.230 4.634 -6.235 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.100 2.536 -8.284 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.359 1.072 -6.337 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.032 2.233 -6.098 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.596 2.491 -5.290 1.00 0.00 H new ATOM 433 N THR A 76 -3.837 3.801 -7.169 1.00 0.00 N ATOM 434 CA THR A 76 -5.286 3.781 -7.267 1.00 0.00 C ATOM 435 C THR A 76 -5.778 4.942 -8.134 1.00 0.00 C ATOM 436 O THR A 76 -6.171 4.740 -9.283 1.00 0.00 O ATOM 437 CB THR A 76 -5.858 3.798 -5.848 1.00 0.00 C ATOM 438 OG1 THR A 76 -5.390 5.027 -5.300 1.00 0.00 O ATOM 439 CG2 THR A 76 -5.231 2.729 -4.951 1.00 0.00 C ATOM 0 H THR A 76 -3.451 4.639 -6.734 1.00 0.00 H new ATOM 0 HA THR A 76 -5.635 2.875 -7.762 1.00 0.00 H new ATOM 0 HB THR A 76 -6.937 3.650 -5.890 1.00 0.00 H new ATOM 0 HG1 THR A 76 -4.434 4.952 -5.097 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.672 2.785 -3.956 1.00 0.00 H new ATOM 0 HG22 THR A 76 -5.417 1.743 -5.376 1.00 0.00 H new ATOM 0 HG23 THR A 76 -4.156 2.897 -4.881 1.00 0.00 H new ATOM 447 N GLY A 77 -5.742 6.130 -7.550 1.00 0.00 N ATOM 448 CA GLY A 77 -6.209 7.318 -8.243 1.00 0.00 C ATOM 449 C GLY A 77 -7.395 7.951 -7.510 1.00 0.00 C ATOM 450 O GLY A 77 -8.168 8.701 -8.103 1.00 0.00 O ATOM 0 H GLY A 77 -5.397 6.295 -6.605 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.397 8.041 -8.320 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.502 7.058 -9.260 1.00 0.00 H new ATOM 454 N LEU A 78 -7.500 7.624 -6.230 1.00 0.00 N ATOM 455 CA LEU A 78 -8.560 8.172 -5.402 1.00 0.00 C ATOM 456 C LEU A 78 -8.307 9.664 -5.178 1.00 0.00 C ATOM 457 O LEU A 78 -7.164 10.118 -5.222 1.00 0.00 O ATOM 458 CB LEU A 78 -8.696 7.369 -4.106 1.00 0.00 C ATOM 459 CG LEU A 78 -9.205 5.934 -4.256 1.00 0.00 C ATOM 460 CD1 LEU A 78 -9.022 5.149 -2.957 1.00 0.00 C ATOM 461 CD2 LEU A 78 -10.657 5.915 -4.738 1.00 0.00 C ATOM 0 H LEU A 78 -6.868 6.986 -5.746 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.522 8.084 -5.907 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.722 7.339 -3.617 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.371 7.905 -3.439 1.00 0.00 H new ATOM 0 HG LEU A 78 -8.606 5.437 -5.019 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -9.392 4.132 -3.091 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.964 5.119 -2.696 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.579 5.635 -2.156 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -10.994 4.883 -4.836 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -11.287 6.435 -4.016 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -10.726 6.413 -5.705 1.00 0.00 H new ATOM 473 N GLY A 79 -9.392 10.387 -4.942 1.00 0.00 N ATOM 474 CA GLY A 79 -9.299 11.814 -4.687 1.00 0.00 C ATOM 475 C GLY A 79 -8.331 12.105 -3.540 1.00 0.00 C ATOM 476 O GLY A 79 -8.236 11.328 -2.590 1.00 0.00 O ATOM 0 H GLY A 79 -10.340 10.011 -4.922 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.964 12.327 -5.589 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.286 12.208 -4.444 1.00 0.00 H new ATOM 480 N LEU A 80 -7.634 13.225 -3.665 1.00 0.00 N ATOM 481 CA LEU A 80 -6.685 13.633 -2.644 1.00 0.00 C ATOM 482 C LEU A 80 -7.284 13.371 -1.262 1.00 0.00 C ATOM 483 O LEU A 80 -6.625 12.799 -0.393 1.00 0.00 O ATOM 484 CB LEU A 80 -6.253 15.084 -2.863 1.00 0.00 C ATOM 485 CG LEU A 80 -4.869 15.461 -2.332 1.00 0.00 C ATOM 486 CD1 LEU A 80 -4.242 16.574 -3.174 1.00 0.00 C ATOM 487 CD2 LEU A 80 -4.933 15.832 -0.847 1.00 0.00 C ATOM 0 H LEU A 80 -7.708 13.862 -4.458 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.773 13.040 -2.713 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.278 15.292 -3.933 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.990 15.736 -2.394 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.221 14.589 -2.419 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.259 16.822 -2.774 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.140 16.236 -4.205 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.880 17.457 -3.143 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.936 16.096 -0.495 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.602 16.682 -0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.307 14.982 -0.276 1.00 0.00 H new ATOM 499 N LYS A 81 -8.526 13.803 -1.098 1.00 0.00 N ATOM 500 CA LYS A 81 -9.214 13.639 0.170 1.00 0.00 C ATOM 501 C LYS A 81 -9.283 12.151 0.520 1.00 0.00 C ATOM 502 O LYS A 81 -8.685 11.714 1.502 1.00 0.00 O ATOM 503 CB LYS A 81 -10.582 14.325 0.129 1.00 0.00 C ATOM 504 CG LYS A 81 -11.310 14.175 1.467 1.00 0.00 C ATOM 505 CD LYS A 81 -12.823 14.316 1.287 1.00 0.00 C ATOM 506 CE LYS A 81 -13.437 13.013 0.769 1.00 0.00 C ATOM 507 NZ LYS A 81 -13.622 12.052 1.880 1.00 0.00 N ATOM 0 H LYS A 81 -9.073 14.267 -1.823 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.660 14.129 0.970 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.456 15.382 -0.104 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -11.186 13.892 -0.669 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.081 13.202 1.903 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -10.952 14.930 2.167 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -13.282 14.586 2.238 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -13.036 15.125 0.589 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -14.396 13.219 0.295 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -12.791 12.577 0.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.811 11.106 1.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -12.760 12.023 2.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -14.425 12.352 2.468 1.00 0.00 H new ATOM 521 N GLU A 82 -10.017 11.415 -0.301 1.00 0.00 N ATOM 522 CA GLU A 82 -10.198 9.993 -0.072 1.00 0.00 C ATOM 523 C GLU A 82 -8.876 9.352 0.358 1.00 0.00 C ATOM 524 O GLU A 82 -8.841 8.563 1.302 1.00 0.00 O ATOM 525 CB GLU A 82 -10.763 9.304 -1.315 1.00 0.00 C ATOM 526 CG GLU A 82 -12.234 9.668 -1.522 1.00 0.00 C ATOM 527 CD GLU A 82 -13.120 8.986 -0.477 1.00 0.00 C ATOM 528 OE1 GLU A 82 -13.521 7.832 -0.739 1.00 0.00 O ATOM 529 OE2 GLU A 82 -13.375 9.635 0.560 1.00 0.00 O ATOM 0 H GLU A 82 -10.494 11.778 -1.127 1.00 0.00 H new ATOM 0 HA GLU A 82 -10.921 9.864 0.734 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.185 9.597 -2.192 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.663 8.223 -1.213 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -12.357 10.749 -1.459 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -12.549 9.369 -2.522 1.00 0.00 H new ATOM 536 N ALA A 83 -7.821 9.714 -0.357 1.00 0.00 N ATOM 537 CA ALA A 83 -6.509 9.144 -0.096 1.00 0.00 C ATOM 538 C ALA A 83 -6.062 9.533 1.315 1.00 0.00 C ATOM 539 O ALA A 83 -5.583 8.691 2.072 1.00 0.00 O ATOM 540 CB ALA A 83 -5.527 9.614 -1.169 1.00 0.00 C ATOM 0 H ALA A 83 -7.847 10.394 -1.116 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.546 8.056 -0.142 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.543 9.187 -0.974 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.876 9.289 -2.149 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.461 10.702 -1.150 1.00 0.00 H new ATOM 546 N LYS A 84 -6.231 10.810 1.624 1.00 0.00 N ATOM 547 CA LYS A 84 -5.844 11.323 2.927 1.00 0.00 C ATOM 548 C LYS A 84 -6.547 10.514 4.020 1.00 0.00 C ATOM 549 O LYS A 84 -5.897 9.973 4.911 1.00 0.00 O ATOM 550 CB LYS A 84 -6.105 12.828 3.010 1.00 0.00 C ATOM 551 CG LYS A 84 -5.907 13.340 4.438 1.00 0.00 C ATOM 552 CD LYS A 84 -5.997 14.867 4.492 1.00 0.00 C ATOM 553 CE LYS A 84 -6.460 15.342 5.870 1.00 0.00 C ATOM 554 NZ LYS A 84 -5.415 15.083 6.886 1.00 0.00 N ATOM 0 H LYS A 84 -6.631 11.505 0.994 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.772 11.201 3.081 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -5.432 13.355 2.334 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -7.121 13.043 2.680 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -6.662 12.905 5.092 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -4.936 13.016 4.813 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.023 15.300 4.263 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.691 15.221 3.730 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -6.687 16.408 5.837 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -7.381 14.829 6.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -5.373 15.881 7.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -5.643 14.211 7.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -4.493 14.975 6.416 1.00 0.00 H new ATOM 568 N ASP A 85 -7.866 10.461 3.913 1.00 0.00 N ATOM 569 CA ASP A 85 -8.670 9.764 4.904 1.00 0.00 C ATOM 570 C ASP A 85 -8.188 8.317 5.018 1.00 0.00 C ATOM 571 O ASP A 85 -7.978 7.813 6.121 1.00 0.00 O ATOM 572 CB ASP A 85 -10.146 9.739 4.500 1.00 0.00 C ATOM 573 CG ASP A 85 -10.859 11.092 4.579 1.00 0.00 C ATOM 574 OD1 ASP A 85 -10.809 11.696 5.671 1.00 0.00 O ATOM 575 OD2 ASP A 85 -11.438 11.488 3.544 1.00 0.00 O ATOM 0 H ASP A 85 -8.399 10.889 3.156 1.00 0.00 H new ATOM 0 HA ASP A 85 -8.565 10.290 5.853 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.222 9.364 3.479 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.671 9.030 5.140 1.00 0.00 H new ATOM 580 N LEU A 86 -8.024 7.687 3.863 1.00 0.00 N ATOM 581 CA LEU A 86 -7.590 6.301 3.821 1.00 0.00 C ATOM 582 C LEU A 86 -6.371 6.126 4.729 1.00 0.00 C ATOM 583 O LEU A 86 -6.408 5.345 5.679 1.00 0.00 O ATOM 584 CB LEU A 86 -7.350 5.859 2.375 1.00 0.00 C ATOM 585 CG LEU A 86 -6.912 4.406 2.184 1.00 0.00 C ATOM 586 CD1 LEU A 86 -8.122 3.485 2.024 1.00 0.00 C ATOM 587 CD2 LEU A 86 -5.936 4.279 1.012 1.00 0.00 C ATOM 0 H LEU A 86 -8.184 8.111 2.949 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.371 5.644 4.205 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -8.268 6.019 1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.590 6.507 1.939 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.382 4.087 3.082 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.782 2.458 1.890 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.747 3.547 2.915 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.701 3.793 1.153 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.639 3.236 0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.419 4.622 0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.053 4.888 1.206 1.00 0.00 H new ATOM 599 N VAL A 87 -5.319 6.865 4.403 1.00 0.00 N ATOM 600 CA VAL A 87 -4.070 6.749 5.136 1.00 0.00 C ATOM 601 C VAL A 87 -4.313 7.085 6.607 1.00 0.00 C ATOM 602 O VAL A 87 -3.746 6.450 7.496 1.00 0.00 O ATOM 603 CB VAL A 87 -3.002 7.634 4.489 1.00 0.00 C ATOM 604 CG1 VAL A 87 -1.765 7.742 5.383 1.00 0.00 C ATOM 605 CG2 VAL A 87 -2.630 7.117 3.097 1.00 0.00 C ATOM 0 H VAL A 87 -5.307 7.545 3.643 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.696 5.726 5.095 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.420 8.634 4.373 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.021 8.376 4.900 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.046 8.178 6.342 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.345 6.749 5.545 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -1.869 7.764 2.660 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.240 6.102 3.178 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.515 7.116 2.461 1.00 0.00 H new ATOM 615 N GLU A 88 -5.156 8.085 6.822 1.00 0.00 N ATOM 616 CA GLU A 88 -5.404 8.579 8.166 1.00 0.00 C ATOM 617 C GLU A 88 -6.214 7.558 8.966 1.00 0.00 C ATOM 618 O GLU A 88 -6.285 7.640 10.192 1.00 0.00 O ATOM 619 CB GLU A 88 -6.114 9.935 8.128 1.00 0.00 C ATOM 620 CG GLU A 88 -5.195 11.019 7.559 1.00 0.00 C ATOM 621 CD GLU A 88 -4.730 11.975 8.659 1.00 0.00 C ATOM 622 OE1 GLU A 88 -3.804 11.581 9.399 1.00 0.00 O ATOM 623 OE2 GLU A 88 -5.312 13.080 8.734 1.00 0.00 O ATOM 0 H GLU A 88 -5.676 8.566 6.088 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.445 8.721 8.663 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.015 9.861 7.519 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.430 10.212 9.134 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.330 10.555 7.085 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.721 11.578 6.785 1.00 0.00 H new ATOM 630 N SER A 89 -6.805 6.620 8.242 1.00 0.00 N ATOM 631 CA SER A 89 -7.653 5.616 8.864 1.00 0.00 C ATOM 632 C SER A 89 -6.929 4.269 8.899 1.00 0.00 C ATOM 633 O SER A 89 -7.563 3.223 9.026 1.00 0.00 O ATOM 634 CB SER A 89 -8.985 5.485 8.124 1.00 0.00 C ATOM 635 OG SER A 89 -8.831 4.848 6.858 1.00 0.00 O ATOM 0 H SER A 89 -6.714 6.533 7.230 1.00 0.00 H new ATOM 0 HA SER A 89 -7.866 5.933 9.885 1.00 0.00 H new ATOM 0 HB2 SER A 89 -9.685 4.914 8.735 1.00 0.00 H new ATOM 0 HB3 SER A 89 -9.420 6.474 7.982 1.00 0.00 H new ATOM 0 HG SER A 89 -7.976 5.115 6.459 1.00 0.00 H new ATOM 641 N ALA A 90 -5.611 4.338 8.781 1.00 0.00 N ATOM 642 CA ALA A 90 -4.792 3.137 8.817 1.00 0.00 C ATOM 643 C ALA A 90 -5.179 2.298 10.035 1.00 0.00 C ATOM 644 O ALA A 90 -5.624 2.834 11.049 1.00 0.00 O ATOM 645 CB ALA A 90 -3.313 3.528 8.823 1.00 0.00 C ATOM 0 H ALA A 90 -5.090 5.206 8.660 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.964 2.528 7.930 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.699 2.628 8.850 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.083 4.097 7.922 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.101 4.138 9.701 1.00 0.00 H new ATOM 651 N PRO A 91 -4.992 0.958 9.892 1.00 0.00 N ATOM 652 CA PRO A 91 -4.465 0.402 8.657 1.00 0.00 C ATOM 653 C PRO A 91 -5.528 0.407 7.556 1.00 0.00 C ATOM 654 O PRO A 91 -6.724 0.447 7.843 1.00 0.00 O ATOM 655 CB PRO A 91 -3.994 -0.995 9.023 1.00 0.00 C ATOM 656 CG PRO A 91 -4.694 -1.342 10.327 1.00 0.00 C ATOM 657 CD PRO A 91 -5.278 -0.060 10.899 1.00 0.00 C ATOM 0 HA PRO A 91 -3.643 0.989 8.248 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.248 -1.710 8.241 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -2.911 -1.024 9.141 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -5.481 -2.076 10.154 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.991 -1.788 11.030 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.350 -0.156 11.072 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -4.821 0.191 11.857 1.00 0.00 H new ATOM 665 N ALA A 92 -5.054 0.365 6.320 1.00 0.00 N ATOM 666 CA ALA A 92 -5.946 0.421 5.174 1.00 0.00 C ATOM 667 C ALA A 92 -5.465 -0.567 4.109 1.00 0.00 C ATOM 668 O ALA A 92 -4.304 -0.977 4.117 1.00 0.00 O ATOM 669 CB ALA A 92 -6.014 1.856 4.650 1.00 0.00 C ATOM 0 H ALA A 92 -4.064 0.293 6.087 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.957 0.130 5.460 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -6.683 1.898 3.790 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.390 2.512 5.435 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -5.018 2.182 4.351 1.00 0.00 H new ATOM 675 N ALA A 93 -6.379 -0.921 3.220 1.00 0.00 N ATOM 676 CA ALA A 93 -6.047 -1.808 2.117 1.00 0.00 C ATOM 677 C ALA A 93 -5.700 -0.973 0.884 1.00 0.00 C ATOM 678 O ALA A 93 -6.546 -0.246 0.364 1.00 0.00 O ATOM 679 CB ALA A 93 -7.213 -2.766 1.863 1.00 0.00 C ATOM 0 H ALA A 93 -7.350 -0.610 3.240 1.00 0.00 H new ATOM 0 HA ALA A 93 -5.175 -2.414 2.361 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -6.964 -3.431 1.036 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -7.401 -3.357 2.760 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -8.106 -2.194 1.612 1.00 0.00 H new ATOM 685 N LEU A 94 -4.454 -1.104 0.451 1.00 0.00 N ATOM 686 CA LEU A 94 -3.991 -0.386 -0.725 1.00 0.00 C ATOM 687 C LEU A 94 -4.447 -1.130 -1.982 1.00 0.00 C ATOM 688 O LEU A 94 -5.023 -0.529 -2.888 1.00 0.00 O ATOM 689 CB LEU A 94 -2.479 -0.165 -0.656 1.00 0.00 C ATOM 690 CG LEU A 94 -1.984 0.729 0.482 1.00 0.00 C ATOM 691 CD1 LEU A 94 -0.463 0.888 0.432 1.00 0.00 C ATOM 692 CD2 LEU A 94 -2.701 2.080 0.471 1.00 0.00 C ATOM 0 H LEU A 94 -3.751 -1.696 0.893 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.434 0.609 -0.764 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.993 -1.137 -0.566 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.152 0.269 -1.601 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.227 0.243 1.427 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.137 1.528 1.252 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.008 -0.090 0.526 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.175 1.340 -0.517 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.330 2.696 1.290 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.512 2.585 -0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.773 1.924 0.591 1.00 0.00 H new ATOM 704 N LYS A 95 -4.172 -2.425 -1.997 1.00 0.00 N ATOM 705 CA LYS A 95 -4.547 -3.257 -3.128 1.00 0.00 C ATOM 706 C LYS A 95 -4.996 -4.629 -2.623 1.00 0.00 C ATOM 707 O LYS A 95 -4.610 -5.050 -1.533 1.00 0.00 O ATOM 708 CB LYS A 95 -3.407 -3.320 -4.146 1.00 0.00 C ATOM 709 CG LYS A 95 -2.661 -1.986 -4.218 1.00 0.00 C ATOM 710 CD LYS A 95 -1.631 -1.993 -5.349 1.00 0.00 C ATOM 711 CE LYS A 95 -0.302 -1.396 -4.884 1.00 0.00 C ATOM 712 NZ LYS A 95 0.682 -1.392 -5.991 1.00 0.00 N ATOM 0 H LYS A 95 -3.694 -2.919 -1.244 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.394 -2.820 -3.657 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.713 -4.114 -3.871 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.806 -3.571 -5.129 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -3.373 -1.175 -4.375 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -2.162 -1.793 -3.268 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.473 -3.014 -5.696 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -2.013 -1.424 -6.197 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.459 -0.379 -4.526 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.088 -1.972 -4.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 1.518 -1.945 -5.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.252 -1.814 -6.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.967 -0.414 -6.198 1.00 0.00 H new ATOM 726 N GLU A 96 -5.805 -5.290 -3.437 1.00 0.00 N ATOM 727 CA GLU A 96 -6.311 -6.606 -3.085 1.00 0.00 C ATOM 728 C GLU A 96 -6.130 -7.575 -4.255 1.00 0.00 C ATOM 729 O GLU A 96 -6.590 -7.306 -5.364 1.00 0.00 O ATOM 730 CB GLU A 96 -7.777 -6.533 -2.655 1.00 0.00 C ATOM 731 CG GLU A 96 -7.942 -5.644 -1.422 1.00 0.00 C ATOM 732 CD GLU A 96 -9.379 -5.695 -0.897 1.00 0.00 C ATOM 733 OE1 GLU A 96 -10.295 -5.539 -1.734 1.00 0.00 O ATOM 734 OE2 GLU A 96 -9.529 -5.892 0.328 1.00 0.00 O ATOM 0 H GLU A 96 -6.123 -4.939 -4.340 1.00 0.00 H new ATOM 0 HA GLU A 96 -5.736 -6.980 -2.237 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -8.381 -6.141 -3.474 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -8.146 -7.535 -2.437 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.254 -5.968 -0.641 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.679 -4.616 -1.672 1.00 0.00 H new ATOM 741 N GLY A 97 -5.459 -8.680 -3.969 1.00 0.00 N ATOM 742 CA GLY A 97 -5.240 -9.705 -4.976 1.00 0.00 C ATOM 743 C GLY A 97 -4.503 -9.134 -6.189 1.00 0.00 C ATOM 744 O GLY A 97 -5.024 -9.156 -7.304 1.00 0.00 O ATOM 0 H GLY A 97 -5.059 -8.889 -3.054 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.662 -10.523 -4.547 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.197 -10.121 -5.290 1.00 0.00 H new ATOM 748 N VAL A 98 -3.303 -8.635 -5.931 1.00 0.00 N ATOM 749 CA VAL A 98 -2.479 -8.083 -6.992 1.00 0.00 C ATOM 750 C VAL A 98 -1.213 -8.931 -7.142 1.00 0.00 C ATOM 751 O VAL A 98 -0.880 -9.716 -6.256 1.00 0.00 O ATOM 752 CB VAL A 98 -2.181 -6.609 -6.710 1.00 0.00 C ATOM 753 CG1 VAL A 98 -3.445 -5.758 -6.849 1.00 0.00 C ATOM 754 CG2 VAL A 98 -1.549 -6.431 -5.327 1.00 0.00 C ATOM 0 H VAL A 98 -2.882 -8.602 -5.003 1.00 0.00 H new ATOM 0 HA VAL A 98 -3.008 -8.117 -7.944 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.462 -6.265 -7.453 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.206 -4.715 -6.643 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.834 -5.848 -7.863 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.197 -6.104 -6.140 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.347 -5.374 -5.152 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.234 -6.801 -4.564 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.615 -6.991 -5.279 1.00 0.00 H new ATOM 764 N SER A 99 -0.543 -8.741 -8.270 1.00 0.00 N ATOM 765 CA SER A 99 0.667 -9.492 -8.555 1.00 0.00 C ATOM 766 C SER A 99 1.711 -9.236 -7.466 1.00 0.00 C ATOM 767 O SER A 99 1.836 -8.117 -6.972 1.00 0.00 O ATOM 768 CB SER A 99 1.232 -9.124 -9.929 1.00 0.00 C ATOM 769 OG SER A 99 1.578 -7.745 -10.013 1.00 0.00 O ATOM 0 H SER A 99 -0.815 -8.078 -8.996 1.00 0.00 H new ATOM 0 HA SER A 99 0.417 -10.553 -8.567 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.114 -9.732 -10.133 1.00 0.00 H new ATOM 0 HB3 SER A 99 0.497 -9.361 -10.698 1.00 0.00 H new ATOM 0 HG SER A 99 0.834 -7.244 -10.408 1.00 0.00 H new ATOM 775 N LYS A 100 2.434 -10.293 -7.124 1.00 0.00 N ATOM 776 CA LYS A 100 3.449 -10.201 -6.088 1.00 0.00 C ATOM 777 C LYS A 100 4.508 -9.180 -6.508 1.00 0.00 C ATOM 778 O LYS A 100 4.958 -8.376 -5.693 1.00 0.00 O ATOM 779 CB LYS A 100 4.020 -11.586 -5.773 1.00 0.00 C ATOM 780 CG LYS A 100 4.776 -11.577 -4.444 1.00 0.00 C ATOM 781 CD LYS A 100 5.617 -12.845 -4.283 1.00 0.00 C ATOM 782 CE LYS A 100 6.888 -12.773 -5.132 1.00 0.00 C ATOM 783 NZ LYS A 100 6.885 -13.837 -6.161 1.00 0.00 N ATOM 0 H LYS A 100 2.337 -11.217 -7.546 1.00 0.00 H new ATOM 0 HA LYS A 100 3.012 -9.843 -5.156 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.211 -12.316 -5.731 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.690 -11.898 -6.574 1.00 0.00 H new ATOM 0 HG2 LYS A 100 5.421 -10.700 -4.394 1.00 0.00 H new ATOM 0 HG3 LYS A 100 4.068 -11.499 -3.619 1.00 0.00 H new ATOM 0 HD2 LYS A 100 5.883 -12.978 -3.234 1.00 0.00 H new ATOM 0 HD3 LYS A 100 5.029 -13.715 -4.576 1.00 0.00 H new ATOM 0 HE2 LYS A 100 6.958 -11.796 -5.611 1.00 0.00 H new ATOM 0 HE3 LYS A 100 7.765 -12.879 -4.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 7.754 -13.774 -6.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 6.840 -14.767 -5.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 6.058 -13.718 -6.781 1.00 0.00 H new ATOM 797 N ASP A 101 4.877 -9.246 -7.779 1.00 0.00 N ATOM 798 CA ASP A 101 5.911 -8.371 -8.305 1.00 0.00 C ATOM 799 C ASP A 101 5.511 -6.914 -8.066 1.00 0.00 C ATOM 800 O ASP A 101 6.363 -6.072 -7.787 1.00 0.00 O ATOM 801 CB ASP A 101 6.089 -8.572 -9.811 1.00 0.00 C ATOM 802 CG ASP A 101 6.584 -9.960 -10.225 1.00 0.00 C ATOM 803 OD1 ASP A 101 6.253 -10.921 -9.497 1.00 0.00 O ATOM 804 OD2 ASP A 101 7.281 -10.029 -11.260 1.00 0.00 O ATOM 0 H ASP A 101 4.478 -9.892 -8.460 1.00 0.00 H new ATOM 0 HA ASP A 101 6.845 -8.610 -7.797 1.00 0.00 H new ATOM 0 HB2 ASP A 101 5.135 -8.381 -10.303 1.00 0.00 H new ATOM 0 HB3 ASP A 101 6.793 -7.827 -10.181 1.00 0.00 H new ATOM 809 N ASP A 102 4.216 -6.662 -8.184 1.00 0.00 N ATOM 810 CA ASP A 102 3.699 -5.313 -8.026 1.00 0.00 C ATOM 811 C ASP A 102 3.675 -4.951 -6.541 1.00 0.00 C ATOM 812 O ASP A 102 3.921 -3.803 -6.174 1.00 0.00 O ATOM 813 CB ASP A 102 2.271 -5.205 -8.564 1.00 0.00 C ATOM 814 CG ASP A 102 2.163 -5.005 -10.077 1.00 0.00 C ATOM 815 OD1 ASP A 102 3.234 -4.903 -10.715 1.00 0.00 O ATOM 816 OD2 ASP A 102 1.012 -4.958 -10.562 1.00 0.00 O ATOM 0 H ASP A 102 3.509 -7.369 -8.387 1.00 0.00 H new ATOM 0 HA ASP A 102 4.346 -4.636 -8.583 1.00 0.00 H new ATOM 0 HB2 ASP A 102 1.727 -6.110 -8.293 1.00 0.00 H new ATOM 0 HB3 ASP A 102 1.773 -4.373 -8.066 1.00 0.00 H new ATOM 821 N ALA A 103 3.373 -5.952 -5.725 1.00 0.00 N ATOM 822 CA ALA A 103 3.303 -5.750 -4.288 1.00 0.00 C ATOM 823 C ALA A 103 4.692 -5.388 -3.759 1.00 0.00 C ATOM 824 O ALA A 103 4.839 -4.434 -2.996 1.00 0.00 O ATOM 825 CB ALA A 103 2.735 -7.006 -3.625 1.00 0.00 C ATOM 0 H ALA A 103 3.174 -6.904 -6.032 1.00 0.00 H new ATOM 0 HA ALA A 103 2.635 -4.923 -4.048 1.00 0.00 H new ATOM 0 HB1 ALA A 103 2.682 -6.856 -2.547 1.00 0.00 H new ATOM 0 HB2 ALA A 103 1.736 -7.202 -4.014 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.382 -7.856 -3.842 1.00 0.00 H new ATOM 831 N GLU A 104 5.674 -6.167 -4.186 1.00 0.00 N ATOM 832 CA GLU A 104 7.035 -5.985 -3.709 1.00 0.00 C ATOM 833 C GLU A 104 7.627 -4.694 -4.278 1.00 0.00 C ATOM 834 O GLU A 104 8.332 -3.968 -3.578 1.00 0.00 O ATOM 835 CB GLU A 104 7.906 -7.192 -4.062 1.00 0.00 C ATOM 836 CG GLU A 104 9.161 -7.235 -3.189 1.00 0.00 C ATOM 837 CD GLU A 104 10.094 -8.368 -3.627 1.00 0.00 C ATOM 838 OE1 GLU A 104 10.751 -8.188 -4.674 1.00 0.00 O ATOM 839 OE2 GLU A 104 10.127 -9.387 -2.902 1.00 0.00 O ATOM 0 H GLU A 104 5.555 -6.926 -4.857 1.00 0.00 H new ATOM 0 HA GLU A 104 7.012 -5.903 -2.622 1.00 0.00 H new ATOM 0 HB2 GLU A 104 7.334 -8.110 -3.928 1.00 0.00 H new ATOM 0 HB3 GLU A 104 8.191 -7.145 -5.113 1.00 0.00 H new ATOM 0 HG2 GLU A 104 9.686 -6.282 -3.252 1.00 0.00 H new ATOM 0 HG3 GLU A 104 8.878 -7.374 -2.146 1.00 0.00 H new ATOM 846 N ALA A 105 7.323 -4.449 -5.545 1.00 0.00 N ATOM 847 CA ALA A 105 7.867 -3.291 -6.235 1.00 0.00 C ATOM 848 C ALA A 105 7.537 -2.027 -5.440 1.00 0.00 C ATOM 849 O ALA A 105 8.403 -1.180 -5.227 1.00 0.00 O ATOM 850 CB ALA A 105 7.318 -3.243 -7.662 1.00 0.00 C ATOM 0 H ALA A 105 6.707 -5.033 -6.111 1.00 0.00 H new ATOM 0 HA ALA A 105 8.952 -3.361 -6.306 1.00 0.00 H new ATOM 0 HB1 ALA A 105 7.726 -2.375 -8.180 1.00 0.00 H new ATOM 0 HB2 ALA A 105 7.606 -4.150 -8.193 1.00 0.00 H new ATOM 0 HB3 ALA A 105 6.231 -3.170 -7.631 1.00 0.00 H new ATOM 856 N LEU A 106 6.283 -1.939 -5.021 1.00 0.00 N ATOM 857 CA LEU A 106 5.821 -0.780 -4.277 1.00 0.00 C ATOM 858 C LEU A 106 6.404 -0.822 -2.863 1.00 0.00 C ATOM 859 O LEU A 106 6.765 0.213 -2.305 1.00 0.00 O ATOM 860 CB LEU A 106 4.294 -0.695 -4.310 1.00 0.00 C ATOM 861 CG LEU A 106 3.688 0.653 -3.917 1.00 0.00 C ATOM 862 CD1 LEU A 106 3.813 1.664 -5.058 1.00 0.00 C ATOM 863 CD2 LEU A 106 2.241 0.489 -3.452 1.00 0.00 C ATOM 0 H LEU A 106 5.572 -2.652 -5.183 1.00 0.00 H new ATOM 0 HA LEU A 106 6.178 0.138 -4.743 1.00 0.00 H new ATOM 0 HB2 LEU A 106 3.958 -0.942 -5.317 1.00 0.00 H new ATOM 0 HB3 LEU A 106 3.893 -1.459 -3.644 1.00 0.00 H new ATOM 0 HG LEU A 106 4.254 1.049 -3.073 1.00 0.00 H new ATOM 0 HD11 LEU A 106 3.374 2.614 -4.752 1.00 0.00 H new ATOM 0 HD12 LEU A 106 4.866 1.812 -5.300 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.288 1.288 -5.936 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.834 1.463 -3.179 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.646 0.061 -4.259 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.210 -0.173 -2.587 1.00 0.00 H new ATOM 875 N LYS A 107 6.480 -2.030 -2.324 1.00 0.00 N ATOM 876 CA LYS A 107 7.003 -2.221 -0.983 1.00 0.00 C ATOM 877 C LYS A 107 8.393 -1.584 -0.888 1.00 0.00 C ATOM 878 O LYS A 107 8.672 -0.829 0.044 1.00 0.00 O ATOM 879 CB LYS A 107 6.979 -3.702 -0.602 1.00 0.00 C ATOM 880 CG LYS A 107 6.727 -3.879 0.897 1.00 0.00 C ATOM 881 CD LYS A 107 8.044 -3.871 1.678 1.00 0.00 C ATOM 882 CE LYS A 107 7.796 -3.621 3.167 1.00 0.00 C ATOM 883 NZ LYS A 107 6.966 -4.703 3.744 1.00 0.00 N ATOM 0 H LYS A 107 6.187 -2.887 -2.793 1.00 0.00 H new ATOM 0 HA LYS A 107 6.369 -1.719 -0.252 1.00 0.00 H new ATOM 0 HB2 LYS A 107 6.201 -4.214 -1.168 1.00 0.00 H new ATOM 0 HB3 LYS A 107 7.928 -4.166 -0.872 1.00 0.00 H new ATOM 0 HG2 LYS A 107 6.081 -3.079 1.258 1.00 0.00 H new ATOM 0 HG3 LYS A 107 6.201 -4.817 1.073 1.00 0.00 H new ATOM 0 HD2 LYS A 107 8.555 -4.825 1.546 1.00 0.00 H new ATOM 0 HD3 LYS A 107 8.702 -3.098 1.280 1.00 0.00 H new ATOM 0 HE2 LYS A 107 8.748 -3.564 3.695 1.00 0.00 H new ATOM 0 HE3 LYS A 107 7.298 -2.661 3.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 6.058 -4.310 4.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 6.792 -5.430 3.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 7.464 -5.130 4.551 1.00 0.00 H new ATOM 897 N LYS A 108 9.226 -1.912 -1.863 1.00 0.00 N ATOM 898 CA LYS A 108 10.583 -1.390 -1.895 1.00 0.00 C ATOM 899 C LYS A 108 10.536 0.139 -1.883 1.00 0.00 C ATOM 900 O LYS A 108 11.236 0.778 -1.099 1.00 0.00 O ATOM 901 CB LYS A 108 11.351 -1.972 -3.084 1.00 0.00 C ATOM 902 CG LYS A 108 11.752 -3.425 -2.819 1.00 0.00 C ATOM 903 CD LYS A 108 12.451 -4.030 -4.039 1.00 0.00 C ATOM 904 CE LYS A 108 12.872 -5.476 -3.766 1.00 0.00 C ATOM 905 NZ LYS A 108 13.610 -6.028 -4.923 1.00 0.00 N ATOM 0 H LYS A 108 8.989 -2.532 -2.637 1.00 0.00 H new ATOM 0 HA LYS A 108 11.133 -1.700 -1.006 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.734 -1.919 -3.981 1.00 0.00 H new ATOM 0 HB3 LYS A 108 12.242 -1.374 -3.274 1.00 0.00 H new ATOM 0 HG2 LYS A 108 12.415 -3.472 -1.955 1.00 0.00 H new ATOM 0 HG3 LYS A 108 10.867 -4.012 -2.574 1.00 0.00 H new ATOM 0 HD2 LYS A 108 11.782 -3.998 -4.899 1.00 0.00 H new ATOM 0 HD3 LYS A 108 13.327 -3.434 -4.294 1.00 0.00 H new ATOM 0 HE2 LYS A 108 13.498 -5.517 -2.875 1.00 0.00 H new ATOM 0 HE3 LYS A 108 11.991 -6.086 -3.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 13.888 -7.010 -4.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 13.001 -6.007 -5.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 14.461 -5.456 -5.097 1.00 0.00 H new ATOM 919 N ALA A 109 9.702 0.682 -2.757 1.00 0.00 N ATOM 920 CA ALA A 109 9.552 2.124 -2.853 1.00 0.00 C ATOM 921 C ALA A 109 9.119 2.677 -1.492 1.00 0.00 C ATOM 922 O ALA A 109 9.626 3.705 -1.047 1.00 0.00 O ATOM 923 CB ALA A 109 8.554 2.461 -3.962 1.00 0.00 C ATOM 0 H ALA A 109 9.123 0.149 -3.406 1.00 0.00 H new ATOM 0 HA ALA A 109 10.501 2.593 -3.115 1.00 0.00 H new ATOM 0 HB1 ALA A 109 8.442 3.543 -4.034 1.00 0.00 H new ATOM 0 HB2 ALA A 109 8.920 2.070 -4.912 1.00 0.00 H new ATOM 0 HB3 ALA A 109 7.589 2.010 -3.732 1.00 0.00 H new ATOM 929 N LEU A 110 8.186 1.971 -0.872 1.00 0.00 N ATOM 930 CA LEU A 110 7.636 2.413 0.399 1.00 0.00 C ATOM 931 C LEU A 110 8.745 2.432 1.452 1.00 0.00 C ATOM 932 O LEU A 110 8.816 3.350 2.267 1.00 0.00 O ATOM 933 CB LEU A 110 6.432 1.551 0.789 1.00 0.00 C ATOM 934 CG LEU A 110 5.202 1.670 -0.113 1.00 0.00 C ATOM 935 CD1 LEU A 110 4.439 0.345 -0.176 1.00 0.00 C ATOM 936 CD2 LEU A 110 4.306 2.827 0.332 1.00 0.00 C ATOM 0 H LEU A 110 7.797 1.097 -1.225 1.00 0.00 H new ATOM 0 HA LEU A 110 7.258 3.432 0.317 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.747 0.508 0.805 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.139 1.811 1.806 1.00 0.00 H new ATOM 0 HG LEU A 110 5.540 1.896 -1.124 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.569 0.456 -0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 110 5.091 -0.432 -0.575 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.112 0.065 0.826 1.00 0.00 H new ATOM 0 HD21 LEU A 110 3.439 2.890 -0.326 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.973 2.656 1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 110 4.866 3.761 0.283 1.00 0.00 H new ATOM 948 N GLU A 111 9.584 1.408 1.401 1.00 0.00 N ATOM 949 CA GLU A 111 10.692 1.301 2.334 1.00 0.00 C ATOM 950 C GLU A 111 11.662 2.468 2.142 1.00 0.00 C ATOM 951 O GLU A 111 12.119 3.067 3.113 1.00 0.00 O ATOM 952 CB GLU A 111 11.411 -0.040 2.180 1.00 0.00 C ATOM 953 CG GLU A 111 10.602 -1.173 2.817 1.00 0.00 C ATOM 954 CD GLU A 111 11.286 -2.524 2.599 1.00 0.00 C ATOM 955 OE1 GLU A 111 11.296 -2.974 1.433 1.00 0.00 O ATOM 956 OE2 GLU A 111 11.781 -3.079 3.604 1.00 0.00 O ATOM 0 H GLU A 111 9.518 0.645 0.728 1.00 0.00 H new ATOM 0 HA GLU A 111 10.294 1.348 3.347 1.00 0.00 H new ATOM 0 HB2 GLU A 111 11.570 -0.252 1.123 1.00 0.00 H new ATOM 0 HB3 GLU A 111 12.395 0.015 2.646 1.00 0.00 H new ATOM 0 HG2 GLU A 111 10.488 -0.987 3.885 1.00 0.00 H new ATOM 0 HG3 GLU A 111 9.600 -1.195 2.388 1.00 0.00 H new ATOM 963 N GLU A 112 11.950 2.755 0.880 1.00 0.00 N ATOM 964 CA GLU A 112 12.845 3.850 0.547 1.00 0.00 C ATOM 965 C GLU A 112 12.337 5.157 1.161 1.00 0.00 C ATOM 966 O GLU A 112 13.130 5.997 1.583 1.00 0.00 O ATOM 967 CB GLU A 112 13.008 3.984 -0.968 1.00 0.00 C ATOM 968 CG GLU A 112 13.811 2.813 -1.538 1.00 0.00 C ATOM 969 CD GLU A 112 15.293 3.172 -1.663 1.00 0.00 C ATOM 970 OE1 GLU A 112 15.588 4.105 -2.441 1.00 0.00 O ATOM 971 OE2 GLU A 112 16.097 2.506 -0.977 1.00 0.00 O ATOM 0 H GLU A 112 11.579 2.248 0.076 1.00 0.00 H new ATOM 0 HA GLU A 112 13.827 3.631 0.967 1.00 0.00 H new ATOM 0 HB2 GLU A 112 12.027 4.021 -1.441 1.00 0.00 H new ATOM 0 HB3 GLU A 112 13.511 4.923 -1.202 1.00 0.00 H new ATOM 0 HG2 GLU A 112 13.698 1.942 -0.893 1.00 0.00 H new ATOM 0 HG3 GLU A 112 13.416 2.539 -2.516 1.00 0.00 H new ATOM 978 N ALA A 113 11.019 5.286 1.191 1.00 0.00 N ATOM 979 CA ALA A 113 10.398 6.483 1.727 1.00 0.00 C ATOM 980 C ALA A 113 10.373 6.401 3.255 1.00 0.00 C ATOM 981 O ALA A 113 10.455 7.421 3.937 1.00 0.00 O ATOM 982 CB ALA A 113 8.997 6.644 1.131 1.00 0.00 C ATOM 0 H ALA A 113 10.365 4.581 0.853 1.00 0.00 H new ATOM 0 HA ALA A 113 10.974 7.367 1.453 1.00 0.00 H new ATOM 0 HB1 ALA A 113 8.531 7.543 1.534 1.00 0.00 H new ATOM 0 HB2 ALA A 113 9.070 6.728 0.047 1.00 0.00 H new ATOM 0 HB3 ALA A 113 8.391 5.775 1.387 1.00 0.00 H new ATOM 988 N GLY A 114 10.262 5.176 3.748 1.00 0.00 N ATOM 989 CA GLY A 114 10.253 4.944 5.182 1.00 0.00 C ATOM 990 C GLY A 114 8.827 4.726 5.693 1.00 0.00 C ATOM 991 O GLY A 114 8.364 5.448 6.575 1.00 0.00 O ATOM 0 H GLY A 114 10.178 4.333 3.179 1.00 0.00 H new ATOM 0 HA2 GLY A 114 10.865 4.073 5.417 1.00 0.00 H new ATOM 0 HA3 GLY A 114 10.701 5.795 5.695 1.00 0.00 H new ATOM 995 N ALA A 115 8.171 3.731 5.117 1.00 0.00 N ATOM 996 CA ALA A 115 6.824 3.381 5.534 1.00 0.00 C ATOM 997 C ALA A 115 6.752 1.877 5.802 1.00 0.00 C ATOM 998 O ALA A 115 7.603 1.119 5.341 1.00 0.00 O ATOM 999 CB ALA A 115 5.826 3.832 4.465 1.00 0.00 C ATOM 0 H ALA A 115 8.547 3.155 4.364 1.00 0.00 H new ATOM 0 HA ALA A 115 6.563 3.893 6.460 1.00 0.00 H new ATOM 0 HB1 ALA A 115 4.815 3.570 4.777 1.00 0.00 H new ATOM 0 HB2 ALA A 115 5.897 4.912 4.334 1.00 0.00 H new ATOM 0 HB3 ALA A 115 6.055 3.336 3.522 1.00 0.00 H new ATOM 1005 N GLU A 116 5.725 1.490 6.546 1.00 0.00 N ATOM 1006 CA GLU A 116 5.532 0.088 6.883 1.00 0.00 C ATOM 1007 C GLU A 116 4.305 -0.466 6.157 1.00 0.00 C ATOM 1008 O GLU A 116 3.192 0.022 6.348 1.00 0.00 O ATOM 1009 CB GLU A 116 5.405 -0.099 8.395 1.00 0.00 C ATOM 1010 CG GLU A 116 5.272 -1.581 8.755 1.00 0.00 C ATOM 1011 CD GLU A 116 5.305 -1.782 10.271 1.00 0.00 C ATOM 1012 OE1 GLU A 116 6.282 -1.304 10.885 1.00 0.00 O ATOM 1013 OE2 GLU A 116 4.351 -2.409 10.780 1.00 0.00 O ATOM 0 H GLU A 116 5.019 2.121 6.924 1.00 0.00 H new ATOM 0 HA GLU A 116 6.408 -0.470 6.554 1.00 0.00 H new ATOM 0 HB2 GLU A 116 6.279 0.323 8.892 1.00 0.00 H new ATOM 0 HB3 GLU A 116 4.536 0.447 8.761 1.00 0.00 H new ATOM 0 HG2 GLU A 116 4.338 -1.974 8.353 1.00 0.00 H new ATOM 0 HG3 GLU A 116 6.081 -2.145 8.292 1.00 0.00 H new ATOM 1020 N VAL A 117 4.549 -1.479 5.338 1.00 0.00 N ATOM 1021 CA VAL A 117 3.475 -2.122 4.601 1.00 0.00 C ATOM 1022 C VAL A 117 3.426 -3.607 4.968 1.00 0.00 C ATOM 1023 O VAL A 117 4.452 -4.204 5.288 1.00 0.00 O ATOM 1024 CB VAL A 117 3.654 -1.883 3.101 1.00 0.00 C ATOM 1025 CG1 VAL A 117 3.105 -3.058 2.289 1.00 0.00 C ATOM 1026 CG2 VAL A 117 3.000 -0.568 2.672 1.00 0.00 C ATOM 0 H VAL A 117 5.476 -1.870 5.169 1.00 0.00 H new ATOM 0 HA VAL A 117 2.513 -1.689 4.874 1.00 0.00 H new ATOM 0 HB VAL A 117 4.723 -1.806 2.900 1.00 0.00 H new ATOM 0 HG11 VAL A 117 3.245 -2.862 1.226 1.00 0.00 H new ATOM 0 HG12 VAL A 117 3.636 -3.969 2.563 1.00 0.00 H new ATOM 0 HG13 VAL A 117 2.042 -3.180 2.499 1.00 0.00 H new ATOM 0 HG21 VAL A 117 3.142 -0.423 1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 117 1.934 -0.602 2.895 1.00 0.00 H new ATOM 0 HG23 VAL A 117 3.457 0.260 3.214 1.00 0.00 H new ATOM 1036 N GLU A 118 2.223 -4.158 4.912 1.00 0.00 N ATOM 1037 CA GLU A 118 2.027 -5.562 5.230 1.00 0.00 C ATOM 1038 C GLU A 118 1.500 -6.315 4.007 1.00 0.00 C ATOM 1039 O GLU A 118 0.562 -5.863 3.351 1.00 0.00 O ATOM 1040 CB GLU A 118 1.085 -5.728 6.424 1.00 0.00 C ATOM 1041 CG GLU A 118 0.824 -7.207 6.715 1.00 0.00 C ATOM 1042 CD GLU A 118 2.114 -7.921 7.127 1.00 0.00 C ATOM 1043 OE1 GLU A 118 2.960 -7.246 7.754 1.00 0.00 O ATOM 1044 OE2 GLU A 118 2.224 -9.123 6.808 1.00 0.00 O ATOM 0 H GLU A 118 1.374 -3.657 4.651 1.00 0.00 H new ATOM 0 HA GLU A 118 2.991 -5.989 5.508 1.00 0.00 H new ATOM 0 HB2 GLU A 118 1.519 -5.252 7.303 1.00 0.00 H new ATOM 0 HB3 GLU A 118 0.141 -5.222 6.220 1.00 0.00 H new ATOM 0 HG2 GLU A 118 0.083 -7.300 7.509 1.00 0.00 H new ATOM 0 HG3 GLU A 118 0.405 -7.687 5.831 1.00 0.00 H new ATOM 1051 N VAL A 119 2.125 -7.451 3.737 1.00 0.00 N ATOM 1052 CA VAL A 119 1.734 -8.270 2.601 1.00 0.00 C ATOM 1053 C VAL A 119 1.040 -9.536 3.106 1.00 0.00 C ATOM 1054 O VAL A 119 1.605 -10.283 3.903 1.00 0.00 O ATOM 1055 CB VAL A 119 2.952 -8.565 1.724 1.00 0.00 C ATOM 1056 CG1 VAL A 119 2.547 -9.340 0.468 1.00 0.00 C ATOM 1057 CG2 VAL A 119 3.691 -7.276 1.359 1.00 0.00 C ATOM 0 H VAL A 119 2.900 -7.824 4.285 1.00 0.00 H new ATOM 0 HA VAL A 119 1.020 -7.736 1.973 1.00 0.00 H new ATOM 0 HB VAL A 119 3.635 -9.190 2.299 1.00 0.00 H new ATOM 0 HG11 VAL A 119 3.431 -9.537 -0.139 1.00 0.00 H new ATOM 0 HG12 VAL A 119 2.086 -10.285 0.756 1.00 0.00 H new ATOM 0 HG13 VAL A 119 1.835 -8.751 -0.109 1.00 0.00 H new ATOM 0 HG21 VAL A 119 4.552 -7.515 0.735 1.00 0.00 H new ATOM 0 HG22 VAL A 119 3.019 -6.614 0.812 1.00 0.00 H new ATOM 0 HG23 VAL A 119 4.028 -6.780 2.269 1.00 0.00 H new ATOM 1067 N LYS A 120 -0.176 -9.739 2.622 1.00 0.00 N ATOM 1068 CA LYS A 120 -0.953 -10.904 3.011 1.00 0.00 C ATOM 1069 C LYS A 120 -1.438 -11.632 1.755 1.00 0.00 C ATOM 1070 O LYS A 120 -1.130 -11.221 0.637 1.00 0.00 O ATOM 1071 CB LYS A 120 -2.082 -10.502 3.963 1.00 0.00 C ATOM 1072 CG LYS A 120 -1.985 -11.271 5.282 1.00 0.00 C ATOM 1073 CD LYS A 120 -0.705 -10.906 6.037 1.00 0.00 C ATOM 1074 CE LYS A 120 -0.945 -10.891 7.550 1.00 0.00 C ATOM 1075 NZ LYS A 120 0.338 -10.773 8.277 1.00 0.00 N ATOM 1076 OXT LYS A 120 -2.168 -12.672 1.976 1.00 0.00 O ATOM 0 H LYS A 120 -0.643 -9.116 1.963 1.00 0.00 H new ATOM 0 HA LYS A 120 -0.333 -11.606 3.567 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -2.034 -9.431 4.158 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -3.046 -10.698 3.493 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -2.853 -11.048 5.902 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -2.002 -12.343 5.084 1.00 0.00 H new ATOM 0 HD2 LYS A 120 0.080 -11.623 5.797 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -0.353 -9.927 5.711 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -1.597 -10.058 7.813 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -1.458 -11.804 7.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 0.175 -10.319 9.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 0.742 -11.720 8.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 1.001 -10.197 7.720 1.00 0.00 H new