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+ -170:sc= 0.857 (180deg=0.787) USER MOD Single : A 64 ASN : amide:sc= -0.104 K(o=-0.1,f=-2.6) USER MOD Single : A 65 LYS NZ :NH3+ -161:sc= 1.08 (180deg=0.734) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -67:sc= 1.03! USER MOD Single : A 81 LYS NZ :NH3+ 160:sc= 1.26 (180deg=1.05) USER MOD Single : A 84 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0282) USER MOD Single : A 89 SER OG : rot 78:sc= 0.636 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot -81:sc= 0.344 USER MOD Single : A 100 LYS NZ :NH3+ -128:sc= 1.02 (180deg=-0.0333) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ -101:sc= 1.21 (180deg=0.0336) USER MOD Single : A 120 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.189) USER MOD ----------------------------------------------------------------- ATOM 87 N GLU A 53 -2.087 -14.399 -5.587 1.00 0.00 N ATOM 88 CA GLU A 53 -2.924 -13.273 -5.208 1.00 0.00 C ATOM 89 C GLU A 53 -2.481 -12.716 -3.853 1.00 0.00 C ATOM 90 O GLU A 53 -2.820 -13.271 -2.810 1.00 0.00 O ATOM 91 CB GLU A 53 -4.400 -13.671 -5.181 1.00 0.00 C ATOM 92 CG GLU A 53 -5.012 -13.604 -6.582 1.00 0.00 C ATOM 93 CD GLU A 53 -6.484 -14.019 -6.557 1.00 0.00 C ATOM 94 OE1 GLU A 53 -6.730 -15.233 -6.393 1.00 0.00 O ATOM 95 OE2 GLU A 53 -7.332 -13.111 -6.705 1.00 0.00 O ATOM 0 HA GLU A 53 -2.807 -12.490 -5.957 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.501 -14.681 -4.784 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.947 -13.009 -4.509 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.923 -12.591 -6.974 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.458 -14.257 -7.257 1.00 0.00 H new ATOM 102 N PHE A 54 -1.731 -11.626 -3.914 1.00 0.00 N ATOM 103 CA PHE A 54 -1.233 -10.992 -2.705 1.00 0.00 C ATOM 104 C PHE A 54 -1.922 -9.647 -2.467 1.00 0.00 C ATOM 105 O PHE A 54 -2.280 -8.952 -3.417 1.00 0.00 O ATOM 106 CB PHE A 54 0.265 -10.754 -2.909 1.00 0.00 C ATOM 107 CG PHE A 54 1.078 -12.036 -3.103 1.00 0.00 C ATOM 108 CD1 PHE A 54 1.159 -12.610 -4.334 1.00 0.00 C ATOM 109 CD2 PHE A 54 1.719 -12.602 -2.046 1.00 0.00 C ATOM 110 CE1 PHE A 54 1.914 -13.800 -4.514 1.00 0.00 C ATOM 111 CE2 PHE A 54 2.473 -13.791 -2.226 1.00 0.00 C ATOM 112 CZ PHE A 54 2.555 -14.365 -3.456 1.00 0.00 C ATOM 0 H PHE A 54 -1.456 -11.166 -4.782 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.431 -11.629 -1.843 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.405 -10.112 -3.779 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.657 -10.214 -2.047 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.650 -12.161 -5.174 1.00 0.00 H new ATOM 0 HD2 PHE A 54 1.654 -12.147 -1.069 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.979 -14.256 -5.491 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.982 -14.240 -1.386 1.00 0.00 H new ATOM 0 HZ PHE A 54 3.129 -15.269 -3.593 1.00 0.00 H new ATOM 122 N ASP A 55 -2.088 -9.321 -1.193 1.00 0.00 N ATOM 123 CA ASP A 55 -2.717 -8.066 -0.818 1.00 0.00 C ATOM 124 C ASP A 55 -1.678 -7.155 -0.163 1.00 0.00 C ATOM 125 O ASP A 55 -0.806 -7.627 0.567 1.00 0.00 O ATOM 126 CB ASP A 55 -3.847 -8.295 0.188 1.00 0.00 C ATOM 127 CG ASP A 55 -5.053 -9.060 -0.358 1.00 0.00 C ATOM 128 OD1 ASP A 55 -4.826 -9.948 -1.208 1.00 0.00 O ATOM 129 OD2 ASP A 55 -6.177 -8.741 0.088 1.00 0.00 O ATOM 0 H ASP A 55 -1.798 -9.904 -0.408 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.125 -7.611 -1.721 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.447 -8.840 1.043 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.186 -7.327 0.557 1.00 0.00 H new ATOM 134 N VAL A 56 -1.803 -5.867 -0.446 1.00 0.00 N ATOM 135 CA VAL A 56 -0.877 -4.888 0.097 1.00 0.00 C ATOM 136 C VAL A 56 -1.631 -3.946 1.038 1.00 0.00 C ATOM 137 O VAL A 56 -2.467 -3.159 0.596 1.00 0.00 O ATOM 138 CB VAL A 56 -0.166 -4.152 -1.041 1.00 0.00 C ATOM 139 CG1 VAL A 56 0.743 -3.049 -0.497 1.00 0.00 C ATOM 140 CG2 VAL A 56 0.621 -5.128 -1.917 1.00 0.00 C ATOM 0 H VAL A 56 -2.532 -5.478 -1.045 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.101 -5.381 0.683 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.928 -3.682 -1.663 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.236 -2.542 -1.326 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.147 -2.330 0.065 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.495 -3.488 0.159 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.117 -4.580 -2.718 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.369 -5.639 -1.311 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.061 -5.862 -2.347 1.00 0.00 H new ATOM 150 N ILE A 57 -1.309 -4.058 2.318 1.00 0.00 N ATOM 151 CA ILE A 57 -1.942 -3.224 3.325 1.00 0.00 C ATOM 152 C ILE A 57 -0.936 -2.185 3.827 1.00 0.00 C ATOM 153 O ILE A 57 0.265 -2.447 3.863 1.00 0.00 O ATOM 154 CB ILE A 57 -2.542 -4.086 4.437 1.00 0.00 C ATOM 155 CG1 ILE A 57 -3.780 -4.837 3.940 1.00 0.00 C ATOM 156 CG2 ILE A 57 -2.842 -3.248 5.681 1.00 0.00 C ATOM 157 CD1 ILE A 57 -3.831 -6.253 4.520 1.00 0.00 C ATOM 0 H ILE A 57 -0.618 -4.714 2.681 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.779 -2.676 2.893 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.804 -4.834 4.724 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.680 -4.291 4.224 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.767 -4.886 2.851 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.268 -3.886 6.456 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.919 -2.798 6.048 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.553 -2.462 5.427 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.720 -6.765 4.152 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.942 -6.804 4.214 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.868 -6.199 5.608 1.00 0.00 H new ATOM 169 N LEU A 58 -1.465 -1.030 4.202 1.00 0.00 N ATOM 170 CA LEU A 58 -0.633 0.034 4.740 1.00 0.00 C ATOM 171 C LEU A 58 -0.867 0.147 6.247 1.00 0.00 C ATOM 172 O LEU A 58 -1.973 0.458 6.686 1.00 0.00 O ATOM 173 CB LEU A 58 -0.876 1.340 3.980 1.00 0.00 C ATOM 174 CG LEU A 58 -0.212 2.589 4.564 1.00 0.00 C ATOM 175 CD1 LEU A 58 1.311 2.505 4.449 1.00 0.00 C ATOM 176 CD2 LEU A 58 -0.767 3.859 3.915 1.00 0.00 C ATOM 0 H LEU A 58 -2.459 -0.807 4.144 1.00 0.00 H new ATOM 0 HA LEU A 58 0.422 -0.199 4.598 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.526 1.212 2.956 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.951 1.514 3.930 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.452 2.639 5.626 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.758 3.405 4.871 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.669 1.632 4.994 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.592 2.418 3.400 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.279 4.732 4.348 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.578 3.832 2.842 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.841 3.919 4.092 1.00 0.00 H new ATOM 188 N LYS A 59 0.193 -0.113 6.999 1.00 0.00 N ATOM 189 CA LYS A 59 0.102 -0.099 8.449 1.00 0.00 C ATOM 190 C LYS A 59 0.438 1.302 8.964 1.00 0.00 C ATOM 191 O LYS A 59 -0.359 1.914 9.673 1.00 0.00 O ATOM 192 CB LYS A 59 0.978 -1.201 9.051 1.00 0.00 C ATOM 193 CG LYS A 59 0.270 -2.556 8.992 1.00 0.00 C ATOM 194 CD LYS A 59 0.864 -3.529 10.013 1.00 0.00 C ATOM 195 CE LYS A 59 -0.195 -4.513 10.513 1.00 0.00 C ATOM 196 NZ LYS A 59 -0.581 -5.451 9.434 1.00 0.00 N ATOM 0 H LYS A 59 1.118 -0.334 6.631 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.916 -0.321 8.769 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.923 -1.256 8.510 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.217 -0.956 10.086 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.794 -2.423 9.187 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.361 -2.975 7.990 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.690 -4.077 9.560 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.275 -2.972 10.855 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.192 -5.070 11.366 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.072 -3.967 10.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.414 -5.998 9.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.809 -4.915 8.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.208 -6.100 9.239 1.00 0.00 H new ATOM 210 N ALA A 60 1.619 1.770 8.586 1.00 0.00 N ATOM 211 CA ALA A 60 2.087 3.071 9.033 1.00 0.00 C ATOM 212 C ALA A 60 2.706 3.819 7.851 1.00 0.00 C ATOM 213 O ALA A 60 3.585 3.292 7.170 1.00 0.00 O ATOM 214 CB ALA A 60 3.072 2.890 10.190 1.00 0.00 C ATOM 0 H ALA A 60 2.266 1.271 7.975 1.00 0.00 H new ATOM 0 HA ALA A 60 1.256 3.671 9.404 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.423 3.866 10.525 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.574 2.380 11.015 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.921 2.294 9.855 1.00 0.00 H new ATOM 220 N ALA A 61 2.224 5.035 7.643 1.00 0.00 N ATOM 221 CA ALA A 61 2.745 5.875 6.579 1.00 0.00 C ATOM 222 C ALA A 61 4.193 6.254 6.897 1.00 0.00 C ATOM 223 O ALA A 61 4.988 6.497 5.991 1.00 0.00 O ATOM 224 CB ALA A 61 1.846 7.102 6.409 1.00 0.00 C ATOM 0 H ALA A 61 1.478 5.459 8.194 1.00 0.00 H new ATOM 0 HA ALA A 61 2.745 5.337 5.631 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.238 7.732 5.610 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.836 6.781 6.155 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.824 7.668 7.340 1.00 0.00 H new ATOM 230 N GLY A 62 4.491 6.292 8.187 1.00 0.00 N ATOM 231 CA GLY A 62 5.822 6.664 8.637 1.00 0.00 C ATOM 232 C GLY A 62 6.004 8.183 8.611 1.00 0.00 C ATOM 233 O GLY A 62 5.026 8.929 8.569 1.00 0.00 O ATOM 0 H GLY A 62 3.834 6.071 8.935 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.985 6.292 9.648 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.570 6.193 7.999 1.00 0.00 H new ATOM 237 N ALA A 63 7.263 8.597 8.635 1.00 0.00 N ATOM 238 CA ALA A 63 7.585 10.013 8.658 1.00 0.00 C ATOM 239 C ALA A 63 7.722 10.524 7.222 1.00 0.00 C ATOM 240 O ALA A 63 8.588 11.349 6.934 1.00 0.00 O ATOM 241 CB ALA A 63 8.857 10.235 9.480 1.00 0.00 C ATOM 0 H ALA A 63 8.072 7.976 8.639 1.00 0.00 H new ATOM 0 HA ALA A 63 6.786 10.580 9.135 1.00 0.00 H new ATOM 0 HB1 ALA A 63 9.098 11.298 9.497 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.698 9.883 10.499 1.00 0.00 H new ATOM 0 HB3 ALA A 63 9.682 9.683 9.030 1.00 0.00 H new ATOM 247 N ASN A 64 6.855 10.014 6.361 1.00 0.00 N ATOM 248 CA ASN A 64 6.871 10.405 4.962 1.00 0.00 C ATOM 249 C ASN A 64 5.477 10.206 4.364 1.00 0.00 C ATOM 250 O ASN A 64 5.314 9.477 3.388 1.00 0.00 O ATOM 251 CB ASN A 64 7.855 9.547 4.162 1.00 0.00 C ATOM 252 CG ASN A 64 8.457 10.341 3.001 1.00 0.00 C ATOM 253 OD1 ASN A 64 7.833 11.217 2.425 1.00 0.00 O ATOM 254 ND2 ASN A 64 9.700 9.987 2.691 1.00 0.00 N ATOM 0 H ASN A 64 6.136 9.333 6.605 1.00 0.00 H new ATOM 0 HA ASN A 64 7.176 11.450 4.908 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.651 9.194 4.817 1.00 0.00 H new ATOM 0 HB3 ASN A 64 7.344 8.664 3.777 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.190 10.458 1.930 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.164 9.245 3.214 1.00 0.00 H new ATOM 261 N LYS A 65 4.506 10.868 4.976 1.00 0.00 N ATOM 262 CA LYS A 65 3.128 10.761 4.527 1.00 0.00 C ATOM 263 C LYS A 65 3.017 11.306 3.102 1.00 0.00 C ATOM 264 O LYS A 65 2.166 10.865 2.330 1.00 0.00 O ATOM 265 CB LYS A 65 2.187 11.443 5.522 1.00 0.00 C ATOM 266 CG LYS A 65 0.876 10.665 5.657 1.00 0.00 C ATOM 267 CD LYS A 65 -0.111 11.407 6.560 1.00 0.00 C ATOM 268 CE LYS A 65 0.114 11.047 8.030 1.00 0.00 C ATOM 269 NZ LYS A 65 -0.253 12.183 8.904 1.00 0.00 N ATOM 0 H LYS A 65 4.646 11.481 5.779 1.00 0.00 H new ATOM 0 HA LYS A 65 2.817 9.717 4.494 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.672 11.517 6.495 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.978 12.461 5.192 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.433 10.518 4.672 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.077 9.675 6.067 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.003 12.482 6.424 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.132 11.156 6.272 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.481 10.172 8.291 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.159 10.781 8.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.191 12.061 9.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.078 13.071 8.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.287 12.216 9.015 1.00 0.00 H new ATOM 283 N VAL A 66 3.888 12.255 2.795 1.00 0.00 N ATOM 284 CA VAL A 66 3.858 12.908 1.497 1.00 0.00 C ATOM 285 C VAL A 66 4.158 11.877 0.406 1.00 0.00 C ATOM 286 O VAL A 66 3.485 11.843 -0.621 1.00 0.00 O ATOM 287 CB VAL A 66 4.827 14.092 1.484 1.00 0.00 C ATOM 288 CG1 VAL A 66 4.761 14.839 0.151 1.00 0.00 C ATOM 289 CG2 VAL A 66 4.553 15.037 2.656 1.00 0.00 C ATOM 0 H VAL A 66 4.620 12.588 3.423 1.00 0.00 H new ATOM 0 HA VAL A 66 2.867 13.315 1.297 1.00 0.00 H new ATOM 0 HB VAL A 66 5.837 13.700 1.599 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.459 15.676 0.168 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.027 14.161 -0.660 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.750 15.214 -0.007 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.255 15.870 2.624 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.534 15.418 2.585 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.674 14.497 3.595 1.00 0.00 H new ATOM 299 N ALA A 67 5.171 11.065 0.668 1.00 0.00 N ATOM 300 CA ALA A 67 5.584 10.051 -0.288 1.00 0.00 C ATOM 301 C ALA A 67 4.521 8.953 -0.352 1.00 0.00 C ATOM 302 O ALA A 67 4.221 8.437 -1.428 1.00 0.00 O ATOM 303 CB ALA A 67 6.959 9.509 0.104 1.00 0.00 C ATOM 0 H ALA A 67 5.718 11.088 1.528 1.00 0.00 H new ATOM 0 HA ALA A 67 5.675 10.480 -1.286 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.268 8.749 -0.613 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.684 10.323 0.105 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.906 9.069 1.100 1.00 0.00 H new ATOM 309 N VAL A 68 3.979 8.629 0.812 1.00 0.00 N ATOM 310 CA VAL A 68 2.964 7.593 0.904 1.00 0.00 C ATOM 311 C VAL A 68 1.766 7.982 0.034 1.00 0.00 C ATOM 312 O VAL A 68 1.397 7.250 -0.882 1.00 0.00 O ATOM 313 CB VAL A 68 2.588 7.356 2.368 1.00 0.00 C ATOM 314 CG1 VAL A 68 1.396 6.406 2.481 1.00 0.00 C ATOM 315 CG2 VAL A 68 3.786 6.832 3.163 1.00 0.00 C ATOM 0 H VAL A 68 4.224 9.066 1.701 1.00 0.00 H new ATOM 0 HA VAL A 68 3.349 6.646 0.525 1.00 0.00 H new ATOM 0 HB VAL A 68 2.294 8.313 2.798 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.150 6.255 3.532 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.538 6.836 1.965 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.650 5.448 2.026 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.492 6.672 4.200 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.125 5.890 2.732 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.596 7.561 3.124 1.00 0.00 H new ATOM 325 N ILE A 69 1.193 9.133 0.354 1.00 0.00 N ATOM 326 CA ILE A 69 0.012 9.601 -0.351 1.00 0.00 C ATOM 327 C ILE A 69 0.263 9.533 -1.859 1.00 0.00 C ATOM 328 O ILE A 69 -0.645 9.226 -2.630 1.00 0.00 O ATOM 329 CB ILE A 69 -0.392 10.991 0.143 1.00 0.00 C ATOM 330 CG1 ILE A 69 -0.947 10.928 1.567 1.00 0.00 C ATOM 331 CG2 ILE A 69 -1.373 11.655 -0.826 1.00 0.00 C ATOM 332 CD1 ILE A 69 -0.779 12.270 2.282 1.00 0.00 C ATOM 0 H ILE A 69 1.524 9.755 1.092 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.839 8.954 -0.139 1.00 0.00 H new ATOM 0 HB ILE A 69 0.502 11.614 0.173 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.002 10.657 1.538 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.433 10.147 2.127 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.644 12.642 -0.450 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.905 11.755 -1.805 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.270 11.042 -0.913 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.182 12.197 3.292 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.279 12.526 2.331 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.315 13.044 1.733 1.00 0.00 H new ATOM 344 N LYS A 70 1.499 9.825 -2.234 1.00 0.00 N ATOM 345 CA LYS A 70 1.885 9.787 -3.635 1.00 0.00 C ATOM 346 C LYS A 70 1.797 8.347 -4.145 1.00 0.00 C ATOM 347 O LYS A 70 1.137 8.080 -5.148 1.00 0.00 O ATOM 348 CB LYS A 70 3.262 10.425 -3.828 1.00 0.00 C ATOM 349 CG LYS A 70 3.158 11.950 -3.880 1.00 0.00 C ATOM 350 CD LYS A 70 4.542 12.590 -4.014 1.00 0.00 C ATOM 351 CE LYS A 70 4.593 13.540 -5.213 1.00 0.00 C ATOM 352 NZ LYS A 70 5.842 14.333 -5.194 1.00 0.00 N ATOM 0 H LYS A 70 2.247 10.089 -1.593 1.00 0.00 H new ATOM 0 HA LYS A 70 1.197 10.381 -4.236 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.921 10.130 -3.012 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.712 10.056 -4.750 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.533 12.247 -4.722 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.670 12.316 -2.977 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.784 13.136 -3.102 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.297 11.812 -4.129 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.532 12.969 -6.140 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.731 14.207 -5.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.860 14.972 -6.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.885 14.892 -4.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.660 13.693 -5.236 1.00 0.00 H new ATOM 366 N ALA A 71 2.471 7.458 -3.431 1.00 0.00 N ATOM 367 CA ALA A 71 2.479 6.053 -3.801 1.00 0.00 C ATOM 368 C ALA A 71 1.039 5.553 -3.927 1.00 0.00 C ATOM 369 O ALA A 71 0.715 4.806 -4.848 1.00 0.00 O ATOM 370 CB ALA A 71 3.284 5.258 -2.770 1.00 0.00 C ATOM 0 H ALA A 71 3.015 7.683 -2.598 1.00 0.00 H new ATOM 0 HA ALA A 71 2.961 5.915 -4.769 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.290 4.204 -3.047 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.308 5.632 -2.741 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.828 5.372 -1.786 1.00 0.00 H new ATOM 376 N VAL A 72 0.211 5.987 -2.986 1.00 0.00 N ATOM 377 CA VAL A 72 -1.182 5.579 -2.969 1.00 0.00 C ATOM 378 C VAL A 72 -1.852 6.006 -4.277 1.00 0.00 C ATOM 379 O VAL A 72 -2.210 5.165 -5.099 1.00 0.00 O ATOM 380 CB VAL A 72 -1.878 6.143 -1.729 1.00 0.00 C ATOM 381 CG1 VAL A 72 -3.378 5.844 -1.758 1.00 0.00 C ATOM 382 CG2 VAL A 72 -1.237 5.606 -0.448 1.00 0.00 C ATOM 0 H VAL A 72 0.480 6.617 -2.230 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.260 4.494 -2.904 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.752 7.226 -1.738 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.848 6.256 -0.865 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.822 6.297 -2.644 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.534 4.766 -1.785 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.751 6.023 0.418 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.317 4.519 -0.429 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.186 5.893 -0.419 1.00 0.00 H new ATOM 392 N ARG A 73 -2.000 7.314 -4.429 1.00 0.00 N ATOM 393 CA ARG A 73 -2.634 7.863 -5.615 1.00 0.00 C ATOM 394 C ARG A 73 -2.061 7.209 -6.874 1.00 0.00 C ATOM 395 O ARG A 73 -2.774 7.017 -7.858 1.00 0.00 O ATOM 396 CB ARG A 73 -2.431 9.377 -5.697 1.00 0.00 C ATOM 397 CG ARG A 73 -3.208 9.971 -6.874 1.00 0.00 C ATOM 398 CD ARG A 73 -2.896 11.460 -7.041 1.00 0.00 C ATOM 399 NE ARG A 73 -4.003 12.132 -7.756 1.00 0.00 N ATOM 400 CZ ARG A 73 -5.166 12.477 -7.186 1.00 0.00 C ATOM 401 NH1 ARG A 73 -5.401 12.167 -5.904 1.00 0.00 N ATOM 402 NH2 ARG A 73 -6.093 13.133 -7.897 1.00 0.00 N ATOM 0 H ARG A 73 -1.691 8.010 -3.750 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.702 7.654 -5.547 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.759 9.842 -4.768 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.370 9.600 -5.807 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.953 9.437 -7.789 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.278 9.836 -6.714 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.750 11.921 -6.064 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.966 11.585 -7.595 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.873 12.346 -8.745 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.695 11.669 -5.362 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -6.286 12.429 -5.470 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.914 13.370 -8.873 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -6.978 13.395 -7.463 1.00 0.00 H new ATOM 416 N GLY A 74 -0.778 6.885 -6.801 1.00 0.00 N ATOM 417 CA GLY A 74 -0.085 6.313 -7.944 1.00 0.00 C ATOM 418 C GLY A 74 -0.520 4.867 -8.181 1.00 0.00 C ATOM 419 O GLY A 74 -0.596 4.417 -9.323 1.00 0.00 O ATOM 0 H GLY A 74 -0.201 7.007 -5.969 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.290 6.909 -8.834 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.991 6.350 -7.777 1.00 0.00 H new ATOM 423 N ALA A 75 -0.794 4.177 -7.083 1.00 0.00 N ATOM 424 CA ALA A 75 -1.138 2.767 -7.152 1.00 0.00 C ATOM 425 C ALA A 75 -2.638 2.624 -7.412 1.00 0.00 C ATOM 426 O ALA A 75 -3.087 1.606 -7.937 1.00 0.00 O ATOM 427 CB ALA A 75 -0.701 2.072 -5.860 1.00 0.00 C ATOM 0 H ALA A 75 -0.785 4.568 -6.141 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.614 2.284 -7.976 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.959 1.014 -5.911 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.377 2.177 -5.737 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.210 2.529 -5.011 1.00 0.00 H new ATOM 433 N THR A 76 -3.374 3.659 -7.032 1.00 0.00 N ATOM 434 CA THR A 76 -4.819 3.644 -7.178 1.00 0.00 C ATOM 435 C THR A 76 -5.278 4.805 -8.063 1.00 0.00 C ATOM 436 O THR A 76 -5.611 4.608 -9.230 1.00 0.00 O ATOM 437 CB THR A 76 -5.437 3.666 -5.779 1.00 0.00 C ATOM 438 OG1 THR A 76 -4.988 4.897 -5.220 1.00 0.00 O ATOM 439 CG2 THR A 76 -4.839 2.599 -4.860 1.00 0.00 C ATOM 0 H THR A 76 -2.996 4.513 -6.623 1.00 0.00 H new ATOM 0 HA THR A 76 -5.155 2.738 -7.683 1.00 0.00 H new ATOM 0 HB THR A 76 -6.514 3.518 -5.855 1.00 0.00 H new ATOM 0 HG1 THR A 76 -4.019 4.858 -5.078 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.312 2.657 -3.879 1.00 0.00 H new ATOM 0 HG22 THR A 76 -5.012 1.612 -5.288 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.767 2.767 -4.757 1.00 0.00 H new ATOM 447 N GLY A 77 -5.280 5.991 -7.472 1.00 0.00 N ATOM 448 CA GLY A 77 -5.735 7.178 -8.178 1.00 0.00 C ATOM 449 C GLY A 77 -6.965 7.782 -7.498 1.00 0.00 C ATOM 450 O GLY A 77 -7.727 8.516 -8.126 1.00 0.00 O ATOM 0 H GLY A 77 -4.974 6.156 -6.513 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.934 7.916 -8.210 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.974 6.922 -9.210 1.00 0.00 H new ATOM 454 N LEU A 78 -7.121 7.451 -6.225 1.00 0.00 N ATOM 455 CA LEU A 78 -8.244 7.954 -5.453 1.00 0.00 C ATOM 456 C LEU A 78 -8.073 9.457 -5.228 1.00 0.00 C ATOM 457 O LEU A 78 -6.952 9.964 -5.228 1.00 0.00 O ATOM 458 CB LEU A 78 -8.406 7.153 -4.159 1.00 0.00 C ATOM 459 CG LEU A 78 -8.981 5.743 -4.309 1.00 0.00 C ATOM 460 CD1 LEU A 78 -8.878 4.966 -2.996 1.00 0.00 C ATOM 461 CD2 LEU A 78 -10.417 5.791 -4.835 1.00 0.00 C ATOM 0 H LEU A 78 -6.488 6.840 -5.709 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.175 7.819 -6.004 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.431 7.077 -3.678 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.051 7.717 -3.485 1.00 0.00 H new ATOM 0 HG LEU A 78 -8.384 5.207 -5.047 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -9.294 3.967 -3.131 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.832 4.887 -2.701 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.435 5.489 -2.219 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -10.803 4.776 -4.933 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -11.041 6.351 -4.139 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -10.432 6.280 -5.809 1.00 0.00 H new ATOM 473 N GLY A 79 -9.200 10.128 -5.043 1.00 0.00 N ATOM 474 CA GLY A 79 -9.188 11.561 -4.804 1.00 0.00 C ATOM 475 C GLY A 79 -8.261 11.914 -3.638 1.00 0.00 C ATOM 476 O GLY A 79 -8.154 11.157 -2.675 1.00 0.00 O ATOM 0 H GLY A 79 -10.128 9.705 -5.054 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.860 12.081 -5.704 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.199 11.906 -4.587 1.00 0.00 H new ATOM 480 N LEU A 80 -7.617 13.065 -3.764 1.00 0.00 N ATOM 481 CA LEU A 80 -6.693 13.520 -2.740 1.00 0.00 C ATOM 482 C LEU A 80 -7.288 13.237 -1.359 1.00 0.00 C ATOM 483 O LEU A 80 -6.610 12.697 -0.486 1.00 0.00 O ATOM 484 CB LEU A 80 -6.329 14.990 -2.963 1.00 0.00 C ATOM 485 CG LEU A 80 -4.973 15.436 -2.411 1.00 0.00 C ATOM 486 CD1 LEU A 80 -4.323 16.474 -3.328 1.00 0.00 C ATOM 487 CD2 LEU A 80 -5.107 15.944 -0.973 1.00 0.00 C ATOM 0 H LEU A 80 -7.717 13.696 -4.559 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.754 12.969 -2.802 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.346 15.190 -4.034 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.104 15.608 -2.511 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.312 14.570 -2.386 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.361 16.774 -2.913 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.173 16.042 -4.317 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.972 17.346 -3.408 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.129 16.255 -0.604 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.790 16.793 -0.949 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.497 15.147 -0.340 1.00 0.00 H new ATOM 499 N LYS A 81 -8.549 13.613 -1.206 1.00 0.00 N ATOM 500 CA LYS A 81 -9.236 13.426 0.061 1.00 0.00 C ATOM 501 C LYS A 81 -9.249 11.938 0.415 1.00 0.00 C ATOM 502 O LYS A 81 -8.627 11.523 1.391 1.00 0.00 O ATOM 503 CB LYS A 81 -10.629 14.059 0.014 1.00 0.00 C ATOM 504 CG LYS A 81 -11.312 13.986 1.381 1.00 0.00 C ATOM 505 CD LYS A 81 -12.781 14.399 1.283 1.00 0.00 C ATOM 506 CE LYS A 81 -13.701 13.181 1.385 1.00 0.00 C ATOM 507 NZ LYS A 81 -13.676 12.626 2.756 1.00 0.00 N ATOM 0 H LYS A 81 -9.113 14.046 -1.938 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.704 13.940 0.862 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.549 15.099 -0.301 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -11.240 13.547 -0.729 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.241 12.971 1.773 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -10.794 14.637 2.085 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -13.018 15.106 2.079 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -12.956 14.913 0.338 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -14.720 13.464 1.119 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -13.386 12.419 0.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -14.523 12.042 2.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -12.825 12.041 2.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.663 13.404 3.445 1.00 0.00 H new ATOM 521 N GLU A 82 -9.965 11.175 -0.398 1.00 0.00 N ATOM 522 CA GLU A 82 -10.091 9.746 -0.167 1.00 0.00 C ATOM 523 C GLU A 82 -8.747 9.159 0.271 1.00 0.00 C ATOM 524 O GLU A 82 -8.681 8.406 1.241 1.00 0.00 O ATOM 525 CB GLU A 82 -10.620 9.034 -1.413 1.00 0.00 C ATOM 526 CG GLU A 82 -12.069 9.431 -1.698 1.00 0.00 C ATOM 527 CD GLU A 82 -12.140 10.502 -2.789 1.00 0.00 C ATOM 528 OE1 GLU A 82 -11.974 11.688 -2.433 1.00 0.00 O ATOM 529 OE2 GLU A 82 -12.359 10.108 -3.956 1.00 0.00 O ATOM 0 H GLU A 82 -10.464 11.520 -1.218 1.00 0.00 H new ATOM 0 HA GLU A 82 -10.813 9.589 0.635 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.996 9.283 -2.271 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.556 7.955 -1.274 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -12.636 8.553 -2.008 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -12.534 9.805 -0.786 1.00 0.00 H new ATOM 536 N ALA A 83 -7.709 9.528 -0.465 1.00 0.00 N ATOM 537 CA ALA A 83 -6.378 9.011 -0.194 1.00 0.00 C ATOM 538 C ALA A 83 -5.948 9.433 1.212 1.00 0.00 C ATOM 539 O ALA A 83 -5.448 8.616 1.984 1.00 0.00 O ATOM 540 CB ALA A 83 -5.410 9.501 -1.273 1.00 0.00 C ATOM 0 H ALA A 83 -7.763 10.179 -1.249 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.376 7.921 -0.226 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.412 9.113 -1.070 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.744 9.149 -2.249 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.383 10.591 -1.270 1.00 0.00 H new ATOM 546 N LYS A 84 -6.156 10.709 1.501 1.00 0.00 N ATOM 547 CA LYS A 84 -5.784 11.253 2.796 1.00 0.00 C ATOM 548 C LYS A 84 -6.465 10.441 3.900 1.00 0.00 C ATOM 549 O LYS A 84 -5.801 9.930 4.799 1.00 0.00 O ATOM 550 CB LYS A 84 -6.091 12.751 2.856 1.00 0.00 C ATOM 551 CG LYS A 84 -5.622 13.354 4.181 1.00 0.00 C ATOM 552 CD LYS A 84 -4.129 13.685 4.134 1.00 0.00 C ATOM 553 CE LYS A 84 -3.904 15.158 3.787 1.00 0.00 C ATOM 554 NZ LYS A 84 -4.181 16.016 4.960 1.00 0.00 N ATOM 0 H LYS A 84 -6.577 11.382 0.861 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.709 11.165 2.952 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -5.600 13.260 2.027 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -7.163 12.911 2.739 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -6.192 14.258 4.395 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -5.818 12.654 4.993 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.673 13.461 5.098 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -3.636 13.054 3.394 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -2.876 15.306 3.455 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -4.551 15.445 2.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -4.522 16.944 4.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -4.907 15.568 5.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -3.309 16.140 5.513 1.00 0.00 H new ATOM 568 N ASP A 85 -7.783 10.348 3.795 1.00 0.00 N ATOM 569 CA ASP A 85 -8.565 9.636 4.792 1.00 0.00 C ATOM 570 C ASP A 85 -8.034 8.208 4.926 1.00 0.00 C ATOM 571 O ASP A 85 -7.810 7.725 6.035 1.00 0.00 O ATOM 572 CB ASP A 85 -10.037 9.558 4.384 1.00 0.00 C ATOM 573 CG ASP A 85 -10.775 10.898 4.365 1.00 0.00 C ATOM 574 OD1 ASP A 85 -10.510 11.705 5.282 1.00 0.00 O ATOM 575 OD2 ASP A 85 -11.587 11.086 3.434 1.00 0.00 O ATOM 0 H ASP A 85 -8.329 10.754 3.035 1.00 0.00 H new ATOM 0 HA ASP A 85 -8.481 10.176 5.735 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.100 9.112 3.392 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.553 8.886 5.069 1.00 0.00 H new ATOM 580 N LEU A 86 -7.849 7.570 3.779 1.00 0.00 N ATOM 581 CA LEU A 86 -7.383 6.194 3.755 1.00 0.00 C ATOM 582 C LEU A 86 -6.155 6.060 4.659 1.00 0.00 C ATOM 583 O LEU A 86 -6.167 5.290 5.618 1.00 0.00 O ATOM 584 CB LEU A 86 -7.140 5.736 2.316 1.00 0.00 C ATOM 585 CG LEU A 86 -6.712 4.276 2.140 1.00 0.00 C ATOM 586 CD1 LEU A 86 -7.928 3.350 2.102 1.00 0.00 C ATOM 587 CD2 LEU A 86 -5.826 4.111 0.903 1.00 0.00 C ATOM 0 H LEU A 86 -8.013 7.981 2.860 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.147 5.526 4.153 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -8.054 5.897 1.745 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.373 6.374 1.877 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.115 3.987 3.005 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.597 2.319 1.976 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.484 3.441 3.035 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.572 3.629 1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.536 3.065 0.800 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.378 4.423 0.016 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.933 4.727 1.010 1.00 0.00 H new ATOM 599 N VAL A 87 -5.125 6.822 4.320 1.00 0.00 N ATOM 600 CA VAL A 87 -3.866 6.743 5.043 1.00 0.00 C ATOM 601 C VAL A 87 -4.108 7.075 6.517 1.00 0.00 C ATOM 602 O VAL A 87 -3.534 6.441 7.401 1.00 0.00 O ATOM 603 CB VAL A 87 -2.829 7.656 4.387 1.00 0.00 C ATOM 604 CG1 VAL A 87 -1.574 7.773 5.256 1.00 0.00 C ATOM 605 CG2 VAL A 87 -2.479 7.166 2.980 1.00 0.00 C ATOM 0 H VAL A 87 -5.136 7.497 3.555 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.463 5.731 5.000 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.267 8.650 4.296 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -0.853 8.428 4.767 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -1.841 8.189 6.227 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.133 6.786 5.393 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -1.740 7.833 2.536 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.070 6.157 3.037 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.378 7.159 2.363 1.00 0.00 H new ATOM 615 N GLU A 88 -4.959 8.067 6.735 1.00 0.00 N ATOM 616 CA GLU A 88 -5.230 8.536 8.083 1.00 0.00 C ATOM 617 C GLU A 88 -6.079 7.511 8.840 1.00 0.00 C ATOM 618 O GLU A 88 -6.202 7.583 10.062 1.00 0.00 O ATOM 619 CB GLU A 88 -5.914 9.904 8.060 1.00 0.00 C ATOM 620 CG GLU A 88 -4.945 10.993 7.599 1.00 0.00 C ATOM 621 CD GLU A 88 -4.210 11.615 8.788 1.00 0.00 C ATOM 622 OE1 GLU A 88 -4.912 12.165 9.663 1.00 0.00 O ATOM 623 OE2 GLU A 88 -2.964 11.525 8.795 1.00 0.00 O ATOM 0 H GLU A 88 -5.469 8.558 6.001 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.280 8.650 8.606 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.776 9.873 7.393 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.290 10.144 9.055 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.222 10.570 6.902 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.492 11.767 7.060 1.00 0.00 H new ATOM 630 N SER A 89 -6.644 6.583 8.083 1.00 0.00 N ATOM 631 CA SER A 89 -7.520 5.577 8.659 1.00 0.00 C ATOM 632 C SER A 89 -6.793 4.233 8.739 1.00 0.00 C ATOM 633 O SER A 89 -7.429 3.183 8.827 1.00 0.00 O ATOM 634 CB SER A 89 -8.807 5.436 7.845 1.00 0.00 C ATOM 635 OG SER A 89 -9.609 6.613 7.905 1.00 0.00 O ATOM 0 H SER A 89 -6.512 6.506 7.074 1.00 0.00 H new ATOM 0 HA SER A 89 -7.791 5.896 9.665 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.557 5.220 6.806 1.00 0.00 H new ATOM 0 HB3 SER A 89 -9.380 4.587 8.218 1.00 0.00 H new ATOM 0 HG SER A 89 -9.234 7.295 7.309 1.00 0.00 H new ATOM 641 N ALA A 90 -5.471 4.309 8.705 1.00 0.00 N ATOM 642 CA ALA A 90 -4.650 3.113 8.792 1.00 0.00 C ATOM 643 C ALA A 90 -4.971 2.373 10.091 1.00 0.00 C ATOM 644 O ALA A 90 -5.350 2.991 11.086 1.00 0.00 O ATOM 645 CB ALA A 90 -3.173 3.499 8.691 1.00 0.00 C ATOM 0 H ALA A 90 -4.948 5.180 8.618 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.868 2.437 7.965 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.557 2.602 8.756 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.991 3.995 7.738 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.917 4.175 9.507 1.00 0.00 H new ATOM 651 N PRO A 91 -4.805 1.024 10.041 1.00 0.00 N ATOM 652 CA PRO A 91 -4.364 0.370 8.822 1.00 0.00 C ATOM 653 C PRO A 91 -5.494 0.303 7.793 1.00 0.00 C ATOM 654 O PRO A 91 -6.669 0.383 8.152 1.00 0.00 O ATOM 655 CB PRO A 91 -3.882 -1.003 9.263 1.00 0.00 C ATOM 656 CG PRO A 91 -4.499 -1.240 10.632 1.00 0.00 C ATOM 657 CD PRO A 91 -5.034 0.089 11.140 1.00 0.00 C ATOM 0 HA PRO A 91 -3.566 0.916 8.319 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.193 -1.772 8.556 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -2.794 -1.038 9.314 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -5.302 -1.974 10.567 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.756 -1.641 11.321 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.093 0.021 11.388 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -4.514 0.406 12.044 1.00 0.00 H new ATOM 665 N ALA A 92 -5.102 0.160 6.536 1.00 0.00 N ATOM 666 CA ALA A 92 -6.067 0.098 5.452 1.00 0.00 C ATOM 667 C ALA A 92 -5.439 -0.622 4.257 1.00 0.00 C ATOM 668 O ALA A 92 -4.238 -0.506 4.020 1.00 0.00 O ATOM 669 CB ALA A 92 -6.535 1.511 5.103 1.00 0.00 C ATOM 0 H ALA A 92 -4.128 0.085 6.244 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.947 -0.470 5.753 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.259 1.464 4.290 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -7.000 1.966 5.977 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -5.680 2.111 4.793 1.00 0.00 H new ATOM 675 N ALA A 93 -6.280 -1.348 3.535 1.00 0.00 N ATOM 676 CA ALA A 93 -5.829 -2.061 2.353 1.00 0.00 C ATOM 677 C ALA A 93 -5.663 -1.072 1.198 1.00 0.00 C ATOM 678 O ALA A 93 -6.475 -0.163 1.033 1.00 0.00 O ATOM 679 CB ALA A 93 -6.817 -3.182 2.023 1.00 0.00 C ATOM 0 H ALA A 93 -7.272 -1.458 3.746 1.00 0.00 H new ATOM 0 HA ALA A 93 -4.859 -2.524 2.532 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -6.478 -3.717 1.136 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -6.876 -3.874 2.863 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.802 -2.755 1.835 1.00 0.00 H new ATOM 685 N LEU A 94 -4.605 -1.282 0.428 1.00 0.00 N ATOM 686 CA LEU A 94 -4.335 -0.433 -0.720 1.00 0.00 C ATOM 687 C LEU A 94 -4.569 -1.230 -2.005 1.00 0.00 C ATOM 688 O LEU A 94 -4.999 -0.674 -3.015 1.00 0.00 O ATOM 689 CB LEU A 94 -2.933 0.173 -0.619 1.00 0.00 C ATOM 690 CG LEU A 94 -2.846 1.556 0.028 1.00 0.00 C ATOM 691 CD1 LEU A 94 -3.301 1.508 1.488 1.00 0.00 C ATOM 692 CD2 LEU A 94 -1.438 2.139 -0.114 1.00 0.00 C ATOM 0 H LEU A 94 -3.925 -2.028 0.577 1.00 0.00 H new ATOM 0 HA LEU A 94 -5.023 0.412 -0.739 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.303 -0.512 -0.052 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.513 0.236 -1.623 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.527 2.224 -0.500 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.229 2.504 1.924 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.334 1.164 1.536 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.664 0.821 2.045 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.403 3.123 0.354 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.720 1.479 0.373 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.187 2.231 -1.171 1.00 0.00 H new ATOM 704 N LYS A 95 -4.278 -2.520 -1.925 1.00 0.00 N ATOM 705 CA LYS A 95 -4.447 -3.397 -3.071 1.00 0.00 C ATOM 706 C LYS A 95 -4.863 -4.787 -2.586 1.00 0.00 C ATOM 707 O LYS A 95 -4.473 -5.213 -1.500 1.00 0.00 O ATOM 708 CB LYS A 95 -3.184 -3.400 -3.935 1.00 0.00 C ATOM 709 CG LYS A 95 -2.360 -2.131 -3.706 1.00 0.00 C ATOM 710 CD LYS A 95 -1.039 -2.188 -4.475 1.00 0.00 C ATOM 711 CE LYS A 95 -1.279 -2.125 -5.984 1.00 0.00 C ATOM 712 NZ LYS A 95 0.001 -1.956 -6.706 1.00 0.00 N ATOM 0 H LYS A 95 -3.926 -2.979 -1.085 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.246 -3.031 -3.716 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.581 -4.277 -3.700 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.459 -3.474 -4.987 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -2.932 -1.259 -4.024 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -2.160 -2.010 -2.641 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -0.401 -1.359 -4.170 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -0.509 -3.107 -4.226 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -1.774 -3.037 -6.318 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -1.947 -1.296 -6.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -0.180 -1.915 -7.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.458 -1.074 -6.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.626 -2.760 -6.497 1.00 0.00 H new ATOM 726 N GLU A 96 -5.651 -5.457 -3.415 1.00 0.00 N ATOM 727 CA GLU A 96 -6.142 -6.781 -3.075 1.00 0.00 C ATOM 728 C GLU A 96 -6.007 -7.720 -4.276 1.00 0.00 C ATOM 729 O GLU A 96 -6.517 -7.429 -5.357 1.00 0.00 O ATOM 730 CB GLU A 96 -7.590 -6.722 -2.585 1.00 0.00 C ATOM 731 CG GLU A 96 -7.715 -5.823 -1.353 1.00 0.00 C ATOM 732 CD GLU A 96 -9.110 -5.932 -0.734 1.00 0.00 C ATOM 733 OE1 GLU A 96 -10.021 -5.261 -1.266 1.00 0.00 O ATOM 734 OE2 GLU A 96 -9.234 -6.684 0.256 1.00 0.00 O ATOM 0 H GLU A 96 -5.961 -5.107 -4.321 1.00 0.00 H new ATOM 0 HA GLU A 96 -5.535 -7.174 -2.260 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -8.232 -6.345 -3.381 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -7.937 -7.727 -2.344 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -6.963 -6.104 -0.616 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.517 -4.788 -1.632 1.00 0.00 H new ATOM 741 N GLY A 97 -5.318 -8.828 -4.046 1.00 0.00 N ATOM 742 CA GLY A 97 -5.145 -9.831 -5.083 1.00 0.00 C ATOM 743 C GLY A 97 -4.405 -9.249 -6.289 1.00 0.00 C ATOM 744 O GLY A 97 -4.907 -9.294 -7.411 1.00 0.00 O ATOM 0 H GLY A 97 -4.873 -9.053 -3.156 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.588 -10.679 -4.685 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.119 -10.208 -5.396 1.00 0.00 H new ATOM 748 N VAL A 98 -3.222 -8.718 -6.017 1.00 0.00 N ATOM 749 CA VAL A 98 -2.402 -8.141 -7.069 1.00 0.00 C ATOM 750 C VAL A 98 -1.154 -9.004 -7.268 1.00 0.00 C ATOM 751 O VAL A 98 -0.773 -9.765 -6.380 1.00 0.00 O ATOM 752 CB VAL A 98 -2.072 -6.684 -6.734 1.00 0.00 C ATOM 753 CG1 VAL A 98 -3.344 -5.836 -6.670 1.00 0.00 C ATOM 754 CG2 VAL A 98 -1.280 -6.586 -5.429 1.00 0.00 C ATOM 0 H VAL A 98 -2.812 -8.675 -5.084 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.945 -8.130 -8.014 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.446 -6.289 -7.534 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.082 -4.805 -6.430 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.851 -5.867 -7.634 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.006 -6.231 -5.899 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.059 -5.540 -5.215 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.869 -7.007 -4.614 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.347 -7.141 -5.527 1.00 0.00 H new ATOM 764 N SER A 99 -0.555 -8.859 -8.441 1.00 0.00 N ATOM 765 CA SER A 99 0.634 -9.625 -8.774 1.00 0.00 C ATOM 766 C SER A 99 1.732 -9.363 -7.740 1.00 0.00 C ATOM 767 O SER A 99 1.886 -8.239 -7.266 1.00 0.00 O ATOM 768 CB SER A 99 1.134 -9.283 -10.179 1.00 0.00 C ATOM 769 OG SER A 99 1.540 -7.920 -10.284 1.00 0.00 O ATOM 0 H SER A 99 -0.871 -8.222 -9.173 1.00 0.00 H new ATOM 0 HA SER A 99 0.375 -10.684 -8.758 1.00 0.00 H new ATOM 0 HB2 SER A 99 1.972 -9.932 -10.433 1.00 0.00 H new ATOM 0 HB3 SER A 99 0.345 -9.483 -10.904 1.00 0.00 H new ATOM 0 HG SER A 99 0.751 -7.352 -10.408 1.00 0.00 H new ATOM 775 N LYS A 100 2.465 -10.419 -7.422 1.00 0.00 N ATOM 776 CA LYS A 100 3.539 -10.319 -6.449 1.00 0.00 C ATOM 777 C LYS A 100 4.499 -9.204 -6.869 1.00 0.00 C ATOM 778 O LYS A 100 4.910 -8.390 -6.043 1.00 0.00 O ATOM 779 CB LYS A 100 4.219 -11.677 -6.259 1.00 0.00 C ATOM 780 CG LYS A 100 5.120 -11.671 -5.022 1.00 0.00 C ATOM 781 CD LYS A 100 6.546 -11.255 -5.385 1.00 0.00 C ATOM 782 CE LYS A 100 7.333 -12.435 -5.958 1.00 0.00 C ATOM 783 NZ LYS A 100 8.720 -12.028 -6.278 1.00 0.00 N ATOM 0 H LYS A 100 2.336 -11.349 -7.821 1.00 0.00 H new ATOM 0 HA LYS A 100 3.143 -10.048 -5.471 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.463 -12.456 -6.159 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.810 -11.919 -7.143 1.00 0.00 H new ATOM 0 HG2 LYS A 100 4.716 -10.986 -4.277 1.00 0.00 H new ATOM 0 HG3 LYS A 100 5.131 -12.663 -4.570 1.00 0.00 H new ATOM 0 HD2 LYS A 100 6.518 -10.444 -6.113 1.00 0.00 H new ATOM 0 HD3 LYS A 100 7.053 -10.871 -4.500 1.00 0.00 H new ATOM 0 HE2 LYS A 100 7.345 -13.255 -5.240 1.00 0.00 H new ATOM 0 HE3 LYS A 100 6.840 -12.806 -6.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 8.942 -12.294 -7.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 8.813 -10.998 -6.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 9.380 -12.506 -5.632 1.00 0.00 H new ATOM 797 N ASP A 101 4.828 -9.202 -8.153 1.00 0.00 N ATOM 798 CA ASP A 101 5.777 -8.238 -8.681 1.00 0.00 C ATOM 799 C ASP A 101 5.318 -6.824 -8.316 1.00 0.00 C ATOM 800 O ASP A 101 6.136 -5.971 -7.976 1.00 0.00 O ATOM 801 CB ASP A 101 5.864 -8.328 -10.206 1.00 0.00 C ATOM 802 CG ASP A 101 6.613 -9.550 -10.740 1.00 0.00 C ATOM 803 OD1 ASP A 101 6.222 -10.671 -10.347 1.00 0.00 O ATOM 804 OD2 ASP A 101 7.559 -9.336 -11.528 1.00 0.00 O ATOM 0 H ASP A 101 4.454 -9.853 -8.843 1.00 0.00 H new ATOM 0 HA ASP A 101 6.754 -8.457 -8.251 1.00 0.00 H new ATOM 0 HB2 ASP A 101 4.853 -8.334 -10.613 1.00 0.00 H new ATOM 0 HB3 ASP A 101 6.353 -7.429 -10.581 1.00 0.00 H new ATOM 809 N ASP A 102 4.012 -6.622 -8.400 1.00 0.00 N ATOM 810 CA ASP A 102 3.436 -5.320 -8.103 1.00 0.00 C ATOM 811 C ASP A 102 3.459 -5.090 -6.590 1.00 0.00 C ATOM 812 O ASP A 102 3.601 -3.957 -6.134 1.00 0.00 O ATOM 813 CB ASP A 102 1.982 -5.241 -8.571 1.00 0.00 C ATOM 814 CG ASP A 102 1.797 -5.005 -10.072 1.00 0.00 C ATOM 815 OD1 ASP A 102 2.731 -4.432 -10.674 1.00 0.00 O ATOM 816 OD2 ASP A 102 0.727 -5.401 -10.581 1.00 0.00 O ATOM 0 H ASP A 102 3.336 -7.337 -8.669 1.00 0.00 H new ATOM 0 HA ASP A 102 4.024 -4.565 -8.624 1.00 0.00 H new ATOM 0 HB2 ASP A 102 1.478 -6.169 -8.300 1.00 0.00 H new ATOM 0 HB3 ASP A 102 1.485 -4.437 -8.028 1.00 0.00 H new ATOM 821 N ALA A 103 3.317 -6.184 -5.855 1.00 0.00 N ATOM 822 CA ALA A 103 3.277 -6.110 -4.405 1.00 0.00 C ATOM 823 C ALA A 103 4.626 -5.610 -3.885 1.00 0.00 C ATOM 824 O ALA A 103 4.683 -4.660 -3.108 1.00 0.00 O ATOM 825 CB ALA A 103 2.902 -7.480 -3.834 1.00 0.00 C ATOM 0 H ALA A 103 3.228 -7.126 -6.237 1.00 0.00 H new ATOM 0 HA ALA A 103 2.516 -5.401 -4.078 1.00 0.00 H new ATOM 0 HB1 ALA A 103 2.872 -7.425 -2.746 1.00 0.00 H new ATOM 0 HB2 ALA A 103 1.922 -7.775 -4.210 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.645 -8.217 -4.139 1.00 0.00 H new ATOM 831 N GLU A 104 5.680 -6.275 -4.337 1.00 0.00 N ATOM 832 CA GLU A 104 7.021 -5.946 -3.884 1.00 0.00 C ATOM 833 C GLU A 104 7.442 -4.576 -4.421 1.00 0.00 C ATOM 834 O GLU A 104 8.271 -3.897 -3.817 1.00 0.00 O ATOM 835 CB GLU A 104 8.020 -7.028 -4.300 1.00 0.00 C ATOM 836 CG GLU A 104 8.287 -6.978 -5.806 1.00 0.00 C ATOM 837 CD GLU A 104 9.374 -7.981 -6.203 1.00 0.00 C ATOM 838 OE1 GLU A 104 9.129 -9.190 -6.006 1.00 0.00 O ATOM 839 OE2 GLU A 104 10.423 -7.513 -6.695 1.00 0.00 O ATOM 0 H GLU A 104 5.632 -7.039 -5.011 1.00 0.00 H new ATOM 0 HA GLU A 104 7.015 -5.901 -2.795 1.00 0.00 H new ATOM 0 HB2 GLU A 104 8.955 -6.893 -3.757 1.00 0.00 H new ATOM 0 HB3 GLU A 104 7.632 -8.010 -4.028 1.00 0.00 H new ATOM 0 HG2 GLU A 104 7.368 -7.198 -6.350 1.00 0.00 H new ATOM 0 HG3 GLU A 104 8.593 -5.972 -6.092 1.00 0.00 H new ATOM 846 N ALA A 105 6.851 -4.211 -5.549 1.00 0.00 N ATOM 847 CA ALA A 105 7.165 -2.941 -6.181 1.00 0.00 C ATOM 848 C ALA A 105 6.659 -1.798 -5.297 1.00 0.00 C ATOM 849 O ALA A 105 7.404 -0.866 -4.998 1.00 0.00 O ATOM 850 CB ALA A 105 6.555 -2.905 -7.584 1.00 0.00 C ATOM 0 H ALA A 105 6.156 -4.772 -6.042 1.00 0.00 H new ATOM 0 HA ALA A 105 8.243 -2.822 -6.290 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.790 -1.952 -8.059 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.966 -3.719 -8.181 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.473 -3.018 -7.513 1.00 0.00 H new ATOM 856 N LEU A 106 5.399 -1.909 -4.904 1.00 0.00 N ATOM 857 CA LEU A 106 4.782 -0.889 -4.073 1.00 0.00 C ATOM 858 C LEU A 106 5.473 -0.863 -2.707 1.00 0.00 C ATOM 859 O LEU A 106 5.789 0.205 -2.188 1.00 0.00 O ATOM 860 CB LEU A 106 3.270 -1.106 -3.993 1.00 0.00 C ATOM 861 CG LEU A 106 2.501 -0.137 -3.093 1.00 0.00 C ATOM 862 CD1 LEU A 106 2.802 -0.402 -1.616 1.00 0.00 C ATOM 863 CD2 LEU A 106 2.782 1.315 -3.484 1.00 0.00 C ATOM 0 H LEU A 106 4.788 -2.690 -5.145 1.00 0.00 H new ATOM 0 HA LEU A 106 4.916 0.097 -4.517 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.859 -1.039 -5.000 1.00 0.00 H new ATOM 0 HB3 LEU A 106 3.087 -2.121 -3.641 1.00 0.00 H new ATOM 0 HG LEU A 106 1.435 -0.309 -3.239 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.242 0.301 -0.999 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.509 -1.421 -1.362 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.869 -0.275 -1.434 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.223 1.983 -2.829 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.848 1.518 -3.386 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.475 1.480 -4.517 1.00 0.00 H new ATOM 875 N LYS A 107 5.688 -2.053 -2.166 1.00 0.00 N ATOM 876 CA LYS A 107 6.327 -2.181 -0.868 1.00 0.00 C ATOM 877 C LYS A 107 7.687 -1.480 -0.902 1.00 0.00 C ATOM 878 O LYS A 107 7.993 -0.668 -0.030 1.00 0.00 O ATOM 879 CB LYS A 107 6.403 -3.650 -0.450 1.00 0.00 C ATOM 880 CG LYS A 107 7.159 -3.806 0.871 1.00 0.00 C ATOM 881 CD LYS A 107 6.884 -5.172 1.503 1.00 0.00 C ATOM 882 CE LYS A 107 7.912 -5.491 2.589 1.00 0.00 C ATOM 883 NZ LYS A 107 7.642 -6.817 3.187 1.00 0.00 N ATOM 0 H LYS A 107 5.431 -2.938 -2.604 1.00 0.00 H new ATOM 0 HA LYS A 107 5.732 -1.686 -0.101 1.00 0.00 H new ATOM 0 HB2 LYS A 107 5.396 -4.055 -0.347 1.00 0.00 H new ATOM 0 HB3 LYS A 107 6.901 -4.228 -1.229 1.00 0.00 H new ATOM 0 HG2 LYS A 107 8.229 -3.691 0.697 1.00 0.00 H new ATOM 0 HG3 LYS A 107 6.861 -3.016 1.560 1.00 0.00 H new ATOM 0 HD2 LYS A 107 5.882 -5.183 1.932 1.00 0.00 H new ATOM 0 HD3 LYS A 107 6.911 -5.944 0.734 1.00 0.00 H new ATOM 0 HE2 LYS A 107 8.915 -5.475 2.164 1.00 0.00 H new ATOM 0 HE3 LYS A 107 7.882 -4.724 3.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 8.350 -7.017 3.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 6.692 -6.820 3.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 7.694 -7.548 2.449 1.00 0.00 H new ATOM 897 N LYS A 108 8.465 -1.819 -1.919 1.00 0.00 N ATOM 898 CA LYS A 108 9.800 -1.265 -2.056 1.00 0.00 C ATOM 899 C LYS A 108 9.721 0.262 -2.011 1.00 0.00 C ATOM 900 O LYS A 108 10.573 0.915 -1.411 1.00 0.00 O ATOM 901 CB LYS A 108 10.480 -1.807 -3.315 1.00 0.00 C ATOM 902 CG LYS A 108 11.204 -3.124 -3.023 1.00 0.00 C ATOM 903 CD LYS A 108 12.026 -3.576 -4.231 1.00 0.00 C ATOM 904 CE LYS A 108 11.119 -4.101 -5.346 1.00 0.00 C ATOM 905 NZ LYS A 108 11.810 -5.155 -6.124 1.00 0.00 N ATOM 0 H LYS A 108 8.196 -2.471 -2.656 1.00 0.00 H new ATOM 0 HA LYS A 108 10.428 -1.578 -1.222 1.00 0.00 H new ATOM 0 HB2 LYS A 108 9.736 -1.962 -4.096 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.191 -1.073 -3.693 1.00 0.00 H new ATOM 0 HG2 LYS A 108 11.858 -3.000 -2.159 1.00 0.00 H new ATOM 0 HG3 LYS A 108 10.477 -3.894 -2.765 1.00 0.00 H new ATOM 0 HD2 LYS A 108 12.621 -2.742 -4.603 1.00 0.00 H new ATOM 0 HD3 LYS A 108 12.725 -4.356 -3.929 1.00 0.00 H new ATOM 0 HE2 LYS A 108 10.200 -4.501 -4.917 1.00 0.00 H new ATOM 0 HE3 LYS A 108 10.833 -3.282 -6.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 12.169 -4.752 -7.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 12.605 -5.531 -5.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 11.142 -5.923 -6.337 1.00 0.00 H new ATOM 919 N ALA A 109 8.690 0.789 -2.655 1.00 0.00 N ATOM 920 CA ALA A 109 8.516 2.229 -2.741 1.00 0.00 C ATOM 921 C ALA A 109 8.248 2.790 -1.343 1.00 0.00 C ATOM 922 O ALA A 109 8.774 3.841 -0.980 1.00 0.00 O ATOM 923 CB ALA A 109 7.390 2.551 -3.724 1.00 0.00 C ATOM 0 H ALA A 109 7.966 0.244 -3.123 1.00 0.00 H new ATOM 0 HA ALA A 109 9.422 2.703 -3.119 1.00 0.00 H new ATOM 0 HB1 ALA A 109 7.260 3.631 -3.788 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.643 2.157 -4.708 1.00 0.00 H new ATOM 0 HB3 ALA A 109 6.463 2.094 -3.378 1.00 0.00 H new ATOM 929 N LEU A 110 7.430 2.064 -0.595 1.00 0.00 N ATOM 930 CA LEU A 110 7.092 2.471 0.758 1.00 0.00 C ATOM 931 C LEU A 110 8.361 2.491 1.612 1.00 0.00 C ATOM 932 O LEU A 110 8.598 3.442 2.356 1.00 0.00 O ATOM 933 CB LEU A 110 5.983 1.582 1.325 1.00 0.00 C ATOM 934 CG LEU A 110 4.551 1.999 0.988 1.00 0.00 C ATOM 935 CD1 LEU A 110 3.978 2.915 2.072 1.00 0.00 C ATOM 936 CD2 LEU A 110 4.477 2.638 -0.400 1.00 0.00 C ATOM 0 H LEU A 110 6.991 1.196 -0.901 1.00 0.00 H new ATOM 0 HA LEU A 110 6.689 3.484 0.761 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.139 0.566 0.963 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.086 1.554 2.410 1.00 0.00 H new ATOM 0 HG LEU A 110 3.932 1.103 0.962 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.959 3.197 1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.974 2.390 3.027 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.593 3.811 2.154 1.00 0.00 H new ATOM 0 HD21 LEU A 110 3.447 2.925 -0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 110 5.114 3.522 -0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 110 4.817 1.922 -1.149 1.00 0.00 H new ATOM 948 N GLU A 111 9.145 1.432 1.475 1.00 0.00 N ATOM 949 CA GLU A 111 10.349 1.283 2.275 1.00 0.00 C ATOM 950 C GLU A 111 11.369 2.361 1.903 1.00 0.00 C ATOM 951 O GLU A 111 12.071 2.881 2.769 1.00 0.00 O ATOM 952 CB GLU A 111 10.946 -0.116 2.112 1.00 0.00 C ATOM 953 CG GLU A 111 10.044 -1.175 2.749 1.00 0.00 C ATOM 954 CD GLU A 111 10.843 -2.426 3.120 1.00 0.00 C ATOM 955 OE1 GLU A 111 11.777 -2.281 3.939 1.00 0.00 O ATOM 956 OE2 GLU A 111 10.504 -3.499 2.574 1.00 0.00 O ATOM 0 H GLU A 111 8.970 0.668 0.822 1.00 0.00 H new ATOM 0 HA GLU A 111 10.083 1.408 3.325 1.00 0.00 H new ATOM 0 HB2 GLU A 111 11.080 -0.337 1.053 1.00 0.00 H new ATOM 0 HB3 GLU A 111 11.933 -0.150 2.572 1.00 0.00 H new ATOM 0 HG2 GLU A 111 9.569 -0.765 3.640 1.00 0.00 H new ATOM 0 HG3 GLU A 111 9.245 -1.441 2.057 1.00 0.00 H new ATOM 963 N GLU A 112 11.419 2.665 0.615 1.00 0.00 N ATOM 964 CA GLU A 112 12.324 3.688 0.122 1.00 0.00 C ATOM 965 C GLU A 112 12.055 5.019 0.827 1.00 0.00 C ATOM 966 O GLU A 112 12.986 5.765 1.129 1.00 0.00 O ATOM 967 CB GLU A 112 12.207 3.839 -1.396 1.00 0.00 C ATOM 968 CG GLU A 112 12.947 2.712 -2.118 1.00 0.00 C ATOM 969 CD GLU A 112 14.392 3.111 -2.423 1.00 0.00 C ATOM 970 OE1 GLU A 112 15.196 3.108 -1.466 1.00 0.00 O ATOM 971 OE2 GLU A 112 14.660 3.412 -3.607 1.00 0.00 O ATOM 0 H GLU A 112 10.847 2.220 -0.103 1.00 0.00 H new ATOM 0 HA GLU A 112 13.345 3.380 0.346 1.00 0.00 H new ATOM 0 HB2 GLU A 112 11.156 3.833 -1.686 1.00 0.00 H new ATOM 0 HB3 GLU A 112 12.616 4.802 -1.702 1.00 0.00 H new ATOM 0 HG2 GLU A 112 12.937 1.813 -1.502 1.00 0.00 H new ATOM 0 HG3 GLU A 112 12.430 2.469 -3.046 1.00 0.00 H new ATOM 978 N ALA A 113 10.778 5.277 1.069 1.00 0.00 N ATOM 979 CA ALA A 113 10.374 6.516 1.711 1.00 0.00 C ATOM 980 C ALA A 113 10.517 6.371 3.227 1.00 0.00 C ATOM 981 O ALA A 113 10.786 7.347 3.925 1.00 0.00 O ATOM 982 CB ALA A 113 8.944 6.866 1.290 1.00 0.00 C ATOM 0 H ALA A 113 10.010 4.649 0.832 1.00 0.00 H new ATOM 0 HA ALA A 113 11.017 7.338 1.397 1.00 0.00 H new ATOM 0 HB1 ALA A 113 8.640 7.796 1.771 1.00 0.00 H new ATOM 0 HB2 ALA A 113 8.903 6.988 0.208 1.00 0.00 H new ATOM 0 HB3 ALA A 113 8.270 6.064 1.591 1.00 0.00 H new ATOM 988 N GLY A 114 10.330 5.144 3.692 1.00 0.00 N ATOM 989 CA GLY A 114 10.449 4.856 5.111 1.00 0.00 C ATOM 990 C GLY A 114 9.070 4.690 5.754 1.00 0.00 C ATOM 991 O GLY A 114 8.712 5.432 6.667 1.00 0.00 O ATOM 0 H GLY A 114 10.097 4.339 3.111 1.00 0.00 H new ATOM 0 HA2 GLY A 114 11.033 3.946 5.254 1.00 0.00 H new ATOM 0 HA3 GLY A 114 10.990 5.663 5.605 1.00 0.00 H new ATOM 995 N ALA A 115 8.332 3.710 5.251 1.00 0.00 N ATOM 996 CA ALA A 115 6.999 3.441 5.760 1.00 0.00 C ATOM 997 C ALA A 115 6.871 1.949 6.079 1.00 0.00 C ATOM 998 O ALA A 115 7.735 1.155 5.708 1.00 0.00 O ATOM 999 CB ALA A 115 5.958 3.910 4.742 1.00 0.00 C ATOM 0 H ALA A 115 8.633 3.093 4.496 1.00 0.00 H new ATOM 0 HA ALA A 115 6.823 3.993 6.683 1.00 0.00 H new ATOM 0 HB1 ALA A 115 4.958 3.708 5.125 1.00 0.00 H new ATOM 0 HB2 ALA A 115 6.072 4.981 4.572 1.00 0.00 H new ATOM 0 HB3 ALA A 115 6.102 3.376 3.803 1.00 0.00 H new ATOM 1005 N GLU A 116 5.786 1.613 6.762 1.00 0.00 N ATOM 1006 CA GLU A 116 5.545 0.235 7.152 1.00 0.00 C ATOM 1007 C GLU A 116 4.418 -0.366 6.310 1.00 0.00 C ATOM 1008 O GLU A 116 3.298 0.144 6.312 1.00 0.00 O ATOM 1009 CB GLU A 116 5.227 0.135 8.645 1.00 0.00 C ATOM 1010 CG GLU A 116 5.232 -1.322 9.111 1.00 0.00 C ATOM 1011 CD GLU A 116 4.851 -1.427 10.589 1.00 0.00 C ATOM 1012 OE1 GLU A 116 3.907 -0.709 10.984 1.00 0.00 O ATOM 1013 OE2 GLU A 116 5.511 -2.223 11.291 1.00 0.00 O ATOM 0 H GLU A 116 5.064 2.272 7.055 1.00 0.00 H new ATOM 0 HA GLU A 116 6.454 -0.338 6.969 1.00 0.00 H new ATOM 0 HB2 GLU A 116 5.960 0.705 9.215 1.00 0.00 H new ATOM 0 HB3 GLU A 116 4.252 0.580 8.843 1.00 0.00 H new ATOM 0 HG2 GLU A 116 4.532 -1.902 8.509 1.00 0.00 H new ATOM 0 HG3 GLU A 116 6.221 -1.754 8.955 1.00 0.00 H new ATOM 1020 N VAL A 117 4.751 -1.440 5.611 1.00 0.00 N ATOM 1021 CA VAL A 117 3.788 -2.101 4.747 1.00 0.00 C ATOM 1022 C VAL A 117 3.426 -3.463 5.342 1.00 0.00 C ATOM 1023 O VAL A 117 4.091 -3.940 6.261 1.00 0.00 O ATOM 1024 CB VAL A 117 4.341 -2.198 3.324 1.00 0.00 C ATOM 1025 CG1 VAL A 117 3.260 -2.665 2.347 1.00 0.00 C ATOM 1026 CG2 VAL A 117 4.944 -0.865 2.878 1.00 0.00 C ATOM 0 H VAL A 117 5.676 -1.870 5.625 1.00 0.00 H new ATOM 0 HA VAL A 117 2.869 -1.519 4.685 1.00 0.00 H new ATOM 0 HB VAL A 117 5.137 -2.942 3.324 1.00 0.00 H new ATOM 0 HG11 VAL A 117 3.679 -2.726 1.343 1.00 0.00 H new ATOM 0 HG12 VAL A 117 2.897 -3.647 2.649 1.00 0.00 H new ATOM 0 HG13 VAL A 117 2.433 -1.955 2.353 1.00 0.00 H new ATOM 0 HG21 VAL A 117 5.330 -0.962 1.863 1.00 0.00 H new ATOM 0 HG22 VAL A 117 4.176 -0.092 2.902 1.00 0.00 H new ATOM 0 HG23 VAL A 117 5.757 -0.590 3.550 1.00 0.00 H new ATOM 1036 N GLU A 118 2.372 -4.052 4.794 1.00 0.00 N ATOM 1037 CA GLU A 118 1.956 -5.380 5.212 1.00 0.00 C ATOM 1038 C GLU A 118 1.577 -6.224 3.995 1.00 0.00 C ATOM 1039 O GLU A 118 0.800 -5.786 3.147 1.00 0.00 O ATOM 1040 CB GLU A 118 0.797 -5.302 6.208 1.00 0.00 C ATOM 1041 CG GLU A 118 0.181 -6.683 6.441 1.00 0.00 C ATOM 1042 CD GLU A 118 1.139 -7.584 7.223 1.00 0.00 C ATOM 1043 OE1 GLU A 118 1.985 -8.223 6.561 1.00 0.00 O ATOM 1044 OE2 GLU A 118 1.003 -7.615 8.465 1.00 0.00 O ATOM 0 H GLU A 118 1.794 -3.634 4.065 1.00 0.00 H new ATOM 0 HA GLU A 118 2.794 -5.861 5.716 1.00 0.00 H new ATOM 0 HB2 GLU A 118 1.153 -4.894 7.154 1.00 0.00 H new ATOM 0 HB3 GLU A 118 0.035 -4.619 5.832 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -0.756 -6.580 6.988 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -0.059 -7.145 5.483 1.00 0.00 H new ATOM 1051 N VAL A 119 2.143 -7.421 3.946 1.00 0.00 N ATOM 1052 CA VAL A 119 1.862 -8.338 2.853 1.00 0.00 C ATOM 1053 C VAL A 119 0.948 -9.457 3.354 1.00 0.00 C ATOM 1054 O VAL A 119 1.260 -10.125 4.339 1.00 0.00 O ATOM 1055 CB VAL A 119 3.172 -8.859 2.257 1.00 0.00 C ATOM 1056 CG1 VAL A 119 2.904 -9.919 1.188 1.00 0.00 C ATOM 1057 CG2 VAL A 119 4.012 -7.711 1.694 1.00 0.00 C ATOM 0 H VAL A 119 2.795 -7.777 4.645 1.00 0.00 H new ATOM 0 HA VAL A 119 1.336 -7.823 2.049 1.00 0.00 H new ATOM 0 HB VAL A 119 3.742 -9.329 3.058 1.00 0.00 H new ATOM 0 HG11 VAL A 119 3.851 -10.273 0.781 1.00 0.00 H new ATOM 0 HG12 VAL A 119 2.365 -10.756 1.632 1.00 0.00 H new ATOM 0 HG13 VAL A 119 2.304 -9.485 0.388 1.00 0.00 H new ATOM 0 HG21 VAL A 119 4.937 -8.108 1.277 1.00 0.00 H new ATOM 0 HG22 VAL A 119 3.451 -7.199 0.912 1.00 0.00 H new ATOM 0 HG23 VAL A 119 4.247 -7.007 2.492 1.00 0.00 H new ATOM 1067 N LYS A 120 -0.165 -9.627 2.654 1.00 0.00 N ATOM 1068 CA LYS A 120 -1.123 -10.659 3.011 1.00 0.00 C ATOM 1069 C LYS A 120 -1.478 -11.473 1.765 1.00 0.00 C ATOM 1070 O LYS A 120 -1.003 -11.176 0.671 1.00 0.00 O ATOM 1071 CB LYS A 120 -2.337 -10.043 3.709 1.00 0.00 C ATOM 1072 CG LYS A 120 -2.566 -10.684 5.080 1.00 0.00 C ATOM 1073 CD LYS A 120 -1.627 -10.086 6.129 1.00 0.00 C ATOM 1074 CE LYS A 120 -0.902 -11.187 6.906 1.00 0.00 C ATOM 1075 NZ LYS A 120 -0.358 -10.653 8.175 1.00 0.00 N ATOM 1076 OXT LYS A 120 -2.288 -12.456 1.969 1.00 0.00 O ATOM 0 H LYS A 120 -0.424 -9.067 1.842 1.00 0.00 H new ATOM 0 HA LYS A 120 -0.687 -11.352 3.731 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -2.188 -8.970 3.826 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -3.224 -10.176 3.089 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -3.601 -10.535 5.387 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -2.405 -11.760 5.014 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -0.898 -9.438 5.643 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -2.196 -9.463 6.819 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -1.590 -12.006 7.114 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -0.093 -11.596 6.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 0.617 -10.991 8.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -0.363 -9.613 8.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -0.945 -10.979 8.969 1.00 0.00 H new