USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=6 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= -2.09 K(o=-2.1,f=0.93) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -73:sc= 1.09 USER MOD Single : A 81 LYS NZ :NH3+ -115:sc= 1.14 (180deg=-0.541) USER MOD Single : A 84 LYS NZ :NH3+ -146:sc= -0.384 (180deg=-0.534) USER MOD Single : A 89 SER OG : rot 77:sc= 0.335 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot -84:sc= -0.789 USER MOD Single : A 100 LYS NZ :NH3+ -122:sc= 1.22 (180deg=0.394) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 87 N GLU A 53 -1.444 -14.208 -5.782 1.00 0.00 N ATOM 88 CA GLU A 53 -2.431 -13.307 -5.211 1.00 0.00 C ATOM 89 C GLU A 53 -1.942 -12.770 -3.865 1.00 0.00 C ATOM 90 O GLU A 53 -2.174 -13.386 -2.826 1.00 0.00 O ATOM 91 CB GLU A 53 -3.786 -13.998 -5.067 1.00 0.00 C ATOM 92 CG GLU A 53 -4.496 -14.105 -6.417 1.00 0.00 C ATOM 93 CD GLU A 53 -5.566 -15.199 -6.392 1.00 0.00 C ATOM 94 OE1 GLU A 53 -6.427 -15.129 -5.491 1.00 0.00 O ATOM 95 OE2 GLU A 53 -5.496 -16.080 -7.275 1.00 0.00 O ATOM 0 HA GLU A 53 -2.562 -12.465 -5.890 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.647 -14.994 -4.646 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.409 -13.441 -4.368 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.955 -13.149 -6.667 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.768 -14.322 -7.198 1.00 0.00 H new ATOM 102 N PHE A 54 -1.275 -11.626 -3.926 1.00 0.00 N ATOM 103 CA PHE A 54 -0.761 -10.994 -2.724 1.00 0.00 C ATOM 104 C PHE A 54 -1.495 -9.681 -2.438 1.00 0.00 C ATOM 105 O PHE A 54 -1.837 -8.943 -3.361 1.00 0.00 O ATOM 106 CB PHE A 54 0.718 -10.693 -2.974 1.00 0.00 C ATOM 107 CG PHE A 54 1.609 -11.937 -3.009 1.00 0.00 C ATOM 108 CD1 PHE A 54 1.621 -12.735 -4.110 1.00 0.00 C ATOM 109 CD2 PHE A 54 2.388 -12.246 -1.937 1.00 0.00 C ATOM 110 CE1 PHE A 54 2.447 -13.888 -4.141 1.00 0.00 C ATOM 111 CE2 PHE A 54 3.213 -13.399 -1.969 1.00 0.00 C ATOM 112 CZ PHE A 54 3.226 -14.198 -3.070 1.00 0.00 C ATOM 0 H PHE A 54 -1.079 -11.121 -4.790 1.00 0.00 H new ATOM 0 HA PHE A 54 -0.903 -11.653 -1.868 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.815 -10.162 -3.921 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.079 -10.022 -2.194 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.002 -12.491 -4.961 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.378 -11.613 -1.062 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.457 -14.521 -5.016 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.832 -13.643 -1.118 1.00 0.00 H new ATOM 0 HZ PHE A 54 3.854 -15.077 -3.094 1.00 0.00 H new ATOM 122 N ASP A 55 -1.714 -9.430 -1.155 1.00 0.00 N ATOM 123 CA ASP A 55 -2.419 -8.231 -0.738 1.00 0.00 C ATOM 124 C ASP A 55 -1.431 -7.272 -0.068 1.00 0.00 C ATOM 125 O ASP A 55 -0.567 -7.699 0.697 1.00 0.00 O ATOM 126 CB ASP A 55 -3.517 -8.561 0.275 1.00 0.00 C ATOM 127 CG ASP A 55 -4.388 -9.766 -0.086 1.00 0.00 C ATOM 128 OD1 ASP A 55 -4.439 -10.088 -1.294 1.00 0.00 O ATOM 129 OD2 ASP A 55 -4.984 -10.337 0.852 1.00 0.00 O ATOM 0 H ASP A 55 -1.415 -10.037 -0.391 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.869 -7.779 -1.622 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.053 -8.744 1.244 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.160 -7.688 0.389 1.00 0.00 H new ATOM 134 N VAL A 56 -1.594 -5.995 -0.379 1.00 0.00 N ATOM 135 CA VAL A 56 -0.729 -4.971 0.184 1.00 0.00 C ATOM 136 C VAL A 56 -1.555 -4.057 1.093 1.00 0.00 C ATOM 137 O VAL A 56 -2.430 -3.333 0.620 1.00 0.00 O ATOM 138 CB VAL A 56 -0.014 -4.214 -0.937 1.00 0.00 C ATOM 139 CG1 VAL A 56 0.729 -2.995 -0.387 1.00 0.00 C ATOM 140 CG2 VAL A 56 0.935 -5.137 -1.703 1.00 0.00 C ATOM 0 H VAL A 56 -2.312 -5.645 -1.014 1.00 0.00 H new ATOM 0 HA VAL A 56 0.050 -5.423 0.798 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.770 -3.857 -1.637 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.229 -2.474 -1.204 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.018 -2.321 0.092 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.470 -3.320 0.344 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.430 -4.574 -2.494 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.684 -5.538 -1.019 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.368 -5.958 -2.142 1.00 0.00 H new ATOM 150 N ILE A 57 -1.246 -4.120 2.379 1.00 0.00 N ATOM 151 CA ILE A 57 -1.957 -3.317 3.360 1.00 0.00 C ATOM 152 C ILE A 57 -1.037 -2.204 3.865 1.00 0.00 C ATOM 153 O ILE A 57 0.174 -2.390 3.960 1.00 0.00 O ATOM 154 CB ILE A 57 -2.519 -4.202 4.473 1.00 0.00 C ATOM 155 CG1 ILE A 57 -3.454 -5.273 3.904 1.00 0.00 C ATOM 156 CG2 ILE A 57 -3.202 -3.361 5.552 1.00 0.00 C ATOM 157 CD1 ILE A 57 -2.745 -6.625 3.809 1.00 0.00 C ATOM 0 H ILE A 57 -0.513 -4.715 2.765 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.821 -2.835 2.902 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.686 -4.720 4.948 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.336 -5.365 4.538 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.801 -4.970 2.916 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.592 -4.016 6.331 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.479 -2.671 5.987 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.022 -2.796 5.108 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.431 -7.368 3.402 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.877 -6.536 3.155 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.421 -6.936 4.802 1.00 0.00 H new ATOM 169 N LEU A 58 -1.648 -1.069 4.174 1.00 0.00 N ATOM 170 CA LEU A 58 -0.908 0.056 4.720 1.00 0.00 C ATOM 171 C LEU A 58 -1.180 0.159 6.221 1.00 0.00 C ATOM 172 O LEU A 58 -2.315 0.390 6.636 1.00 0.00 O ATOM 173 CB LEU A 58 -1.231 1.335 3.945 1.00 0.00 C ATOM 174 CG LEU A 58 -0.420 2.574 4.333 1.00 0.00 C ATOM 175 CD1 LEU A 58 -0.857 3.112 5.697 1.00 0.00 C ATOM 176 CD2 LEU A 58 1.082 2.286 4.285 1.00 0.00 C ATOM 0 H LEU A 58 -2.648 -0.905 4.056 1.00 0.00 H new ATOM 0 HA LEU A 58 0.164 -0.098 4.601 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.078 1.142 2.883 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.289 1.560 4.079 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.621 3.355 3.600 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.265 3.992 5.948 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.912 3.383 5.660 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.706 2.345 6.456 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.634 3.183 4.565 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.321 1.481 4.981 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.363 1.988 3.275 1.00 0.00 H new ATOM 188 N LYS A 59 -0.120 -0.016 6.996 1.00 0.00 N ATOM 189 CA LYS A 59 -0.242 -0.005 8.444 1.00 0.00 C ATOM 190 C LYS A 59 0.146 1.377 8.972 1.00 0.00 C ATOM 191 O LYS A 59 -0.624 2.007 9.695 1.00 0.00 O ATOM 192 CB LYS A 59 0.569 -1.148 9.060 1.00 0.00 C ATOM 193 CG LYS A 59 -0.079 -2.501 8.760 1.00 0.00 C ATOM 194 CD LYS A 59 -0.080 -3.395 10.002 1.00 0.00 C ATOM 195 CE LYS A 59 1.339 -3.839 10.360 1.00 0.00 C ATOM 196 NZ LYS A 59 1.417 -4.220 11.789 1.00 0.00 N ATOM 0 H LYS A 59 0.827 -0.166 6.649 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.276 -0.183 8.741 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.585 -1.132 8.666 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.643 -1.007 10.138 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.102 -2.350 8.415 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.460 -2.995 7.952 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.519 -2.856 10.842 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.704 -4.270 9.824 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.631 -4.684 9.736 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.042 -3.032 10.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.387 -4.519 12.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.159 -3.404 12.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.760 -5.005 11.975 1.00 0.00 H new ATOM 210 N ALA A 60 1.339 1.809 8.591 1.00 0.00 N ATOM 211 CA ALA A 60 1.852 3.090 9.046 1.00 0.00 C ATOM 212 C ALA A 60 2.564 3.789 7.885 1.00 0.00 C ATOM 213 O ALA A 60 3.500 3.241 7.306 1.00 0.00 O ATOM 214 CB ALA A 60 2.772 2.875 10.249 1.00 0.00 C ATOM 0 H ALA A 60 1.965 1.294 7.972 1.00 0.00 H new ATOM 0 HA ALA A 60 1.037 3.736 9.372 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.156 3.836 10.590 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.212 2.402 11.055 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.604 2.233 9.960 1.00 0.00 H new ATOM 220 N ALA A 61 2.091 4.989 7.581 1.00 0.00 N ATOM 221 CA ALA A 61 2.691 5.783 6.522 1.00 0.00 C ATOM 222 C ALA A 61 4.121 6.156 6.918 1.00 0.00 C ATOM 223 O ALA A 61 4.968 6.383 6.055 1.00 0.00 O ATOM 224 CB ALA A 61 1.823 7.013 6.251 1.00 0.00 C ATOM 0 H ALA A 61 1.300 5.430 8.049 1.00 0.00 H new ATOM 0 HA ALA A 61 2.743 5.210 5.596 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.273 7.608 5.457 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.826 6.695 5.945 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.750 7.614 7.158 1.00 0.00 H new ATOM 230 N GLY A 62 4.347 6.205 8.222 1.00 0.00 N ATOM 231 CA GLY A 62 5.658 6.553 8.743 1.00 0.00 C ATOM 232 C GLY A 62 5.902 8.060 8.649 1.00 0.00 C ATOM 233 O GLY A 62 4.956 8.844 8.591 1.00 0.00 O ATOM 0 H GLY A 62 3.644 6.009 8.934 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.738 6.232 9.782 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.428 6.021 8.185 1.00 0.00 H new ATOM 237 N ALA A 63 7.177 8.422 8.637 1.00 0.00 N ATOM 238 CA ALA A 63 7.557 9.824 8.599 1.00 0.00 C ATOM 239 C ALA A 63 7.707 10.269 7.144 1.00 0.00 C ATOM 240 O ALA A 63 8.612 11.033 6.814 1.00 0.00 O ATOM 241 CB ALA A 63 8.842 10.027 9.406 1.00 0.00 C ATOM 0 H ALA A 63 7.960 7.768 8.653 1.00 0.00 H new ATOM 0 HA ALA A 63 6.784 10.443 9.055 1.00 0.00 H new ATOM 0 HB1 ALA A 63 9.127 11.079 9.378 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.674 9.724 10.440 1.00 0.00 H new ATOM 0 HB3 ALA A 63 9.641 9.423 8.976 1.00 0.00 H new ATOM 247 N ASN A 64 6.805 9.771 6.311 1.00 0.00 N ATOM 248 CA ASN A 64 6.828 10.104 4.896 1.00 0.00 C ATOM 249 C ASN A 64 5.414 9.979 4.324 1.00 0.00 C ATOM 250 O ASN A 64 5.187 9.225 3.380 1.00 0.00 O ATOM 251 CB ASN A 64 7.737 9.150 4.121 1.00 0.00 C ATOM 252 CG ASN A 64 8.475 9.885 3.000 1.00 0.00 C ATOM 253 OD1 ASN A 64 9.610 9.586 2.668 1.00 0.00 O ATOM 254 ND2 ASN A 64 7.767 10.861 2.437 1.00 0.00 N ATOM 0 H ASN A 64 6.054 9.140 6.588 1.00 0.00 H new ATOM 0 HA ASN A 64 7.204 11.122 4.795 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.459 8.697 4.801 1.00 0.00 H new ATOM 0 HB3 ASN A 64 7.144 8.339 3.700 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.170 11.411 1.679 1.00 0.00 H new ATOM 0 HD22 ASN A 64 6.821 11.059 2.764 1.00 0.00 H new ATOM 261 N LYS A 65 4.500 10.729 4.922 1.00 0.00 N ATOM 262 CA LYS A 65 3.107 10.679 4.514 1.00 0.00 C ATOM 263 C LYS A 65 2.990 11.136 3.058 1.00 0.00 C ATOM 264 O LYS A 65 2.076 10.722 2.345 1.00 0.00 O ATOM 265 CB LYS A 65 2.235 11.480 5.482 1.00 0.00 C ATOM 266 CG LYS A 65 0.904 10.769 5.738 1.00 0.00 C ATOM 267 CD LYS A 65 0.067 11.528 6.770 1.00 0.00 C ATOM 268 CE LYS A 65 -1.183 10.735 7.153 1.00 0.00 C ATOM 269 NZ LYS A 65 -2.169 10.758 6.049 1.00 0.00 N ATOM 0 H LYS A 65 4.697 11.375 5.686 1.00 0.00 H new ATOM 0 HA LYS A 65 2.734 9.656 4.559 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.765 11.618 6.425 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.048 12.473 5.072 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.348 10.684 4.805 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.091 9.755 6.091 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.667 11.720 7.660 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.223 12.498 6.366 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.911 9.705 7.384 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.627 11.158 8.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.012 10.215 6.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.441 11.741 5.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.747 10.334 5.198 1.00 0.00 H new ATOM 283 N VAL A 66 3.926 11.983 2.659 1.00 0.00 N ATOM 284 CA VAL A 66 3.906 12.548 1.321 1.00 0.00 C ATOM 285 C VAL A 66 4.073 11.426 0.295 1.00 0.00 C ATOM 286 O VAL A 66 3.177 11.179 -0.511 1.00 0.00 O ATOM 287 CB VAL A 66 4.973 13.637 1.196 1.00 0.00 C ATOM 288 CG1 VAL A 66 5.143 14.074 -0.260 1.00 0.00 C ATOM 289 CG2 VAL A 66 4.647 14.833 2.092 1.00 0.00 C ATOM 0 H VAL A 66 4.705 12.293 3.240 1.00 0.00 H new ATOM 0 HA VAL A 66 2.947 13.028 1.124 1.00 0.00 H new ATOM 0 HB VAL A 66 5.920 13.216 1.533 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.907 14.849 -0.320 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.445 13.218 -0.864 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.198 14.467 -0.635 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.422 15.591 1.983 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.684 15.254 1.801 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.602 14.507 3.131 1.00 0.00 H new ATOM 299 N ALA A 67 5.225 10.775 0.359 1.00 0.00 N ATOM 300 CA ALA A 67 5.537 9.712 -0.580 1.00 0.00 C ATOM 301 C ALA A 67 4.407 8.680 -0.570 1.00 0.00 C ATOM 302 O ALA A 67 3.998 8.194 -1.624 1.00 0.00 O ATOM 303 CB ALA A 67 6.892 9.097 -0.223 1.00 0.00 C ATOM 0 H ALA A 67 5.954 10.964 1.047 1.00 0.00 H new ATOM 0 HA ALA A 67 5.614 10.106 -1.593 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.126 8.299 -0.928 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.664 9.864 -0.274 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.852 8.689 0.787 1.00 0.00 H new ATOM 309 N VAL A 68 3.936 8.378 0.631 1.00 0.00 N ATOM 310 CA VAL A 68 2.878 7.396 0.793 1.00 0.00 C ATOM 311 C VAL A 68 1.660 7.825 -0.029 1.00 0.00 C ATOM 312 O VAL A 68 1.234 7.107 -0.933 1.00 0.00 O ATOM 313 CB VAL A 68 2.561 7.209 2.278 1.00 0.00 C ATOM 314 CG1 VAL A 68 1.279 6.395 2.466 1.00 0.00 C ATOM 315 CG2 VAL A 68 3.736 6.559 3.011 1.00 0.00 C ATOM 0 H VAL A 68 4.268 8.796 1.500 1.00 0.00 H new ATOM 0 HA VAL A 68 3.198 6.424 0.418 1.00 0.00 H new ATOM 0 HB VAL A 68 2.399 8.195 2.713 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.076 6.276 3.530 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.445 6.915 1.993 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.401 5.413 2.008 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.485 6.437 4.065 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.944 5.583 2.572 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.618 7.193 2.919 1.00 0.00 H new ATOM 325 N ILE A 69 1.136 8.991 0.316 1.00 0.00 N ATOM 326 CA ILE A 69 -0.053 9.500 -0.347 1.00 0.00 C ATOM 327 C ILE A 69 0.143 9.435 -1.863 1.00 0.00 C ATOM 328 O ILE A 69 -0.798 9.156 -2.604 1.00 0.00 O ATOM 329 CB ILE A 69 -0.396 10.900 0.169 1.00 0.00 C ATOM 330 CG1 ILE A 69 -1.020 10.831 1.565 1.00 0.00 C ATOM 331 CG2 ILE A 69 -1.290 11.647 -0.823 1.00 0.00 C ATOM 332 CD1 ILE A 69 -0.841 12.155 2.311 1.00 0.00 C ATOM 0 H ILE A 69 1.512 9.598 1.045 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.916 8.877 -0.111 1.00 0.00 H new ATOM 0 HB ILE A 69 0.530 11.468 0.257 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.081 10.597 1.482 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.559 10.024 2.134 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.518 12.638 -0.432 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.773 11.744 -1.777 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.217 11.092 -0.967 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.293 12.079 3.300 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.222 12.374 2.414 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.324 12.956 1.751 1.00 0.00 H new ATOM 344 N LYS A 70 1.374 9.698 -2.279 1.00 0.00 N ATOM 345 CA LYS A 70 1.706 9.673 -3.693 1.00 0.00 C ATOM 346 C LYS A 70 1.542 8.249 -4.227 1.00 0.00 C ATOM 347 O LYS A 70 0.832 8.027 -5.207 1.00 0.00 O ATOM 348 CB LYS A 70 3.100 10.259 -3.926 1.00 0.00 C ATOM 349 CG LYS A 70 3.066 11.788 -3.893 1.00 0.00 C ATOM 350 CD LYS A 70 4.466 12.373 -4.087 1.00 0.00 C ATOM 351 CE LYS A 70 4.421 13.902 -4.131 1.00 0.00 C ATOM 352 NZ LYS A 70 5.551 14.430 -4.926 1.00 0.00 N ATOM 0 H LYS A 70 2.152 9.929 -1.662 1.00 0.00 H new ATOM 0 HA LYS A 70 1.020 10.306 -4.256 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.785 9.891 -3.163 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.484 9.921 -4.889 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.402 12.157 -4.675 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.656 12.126 -2.941 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.115 12.048 -3.274 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.898 11.992 -5.012 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.477 14.232 -4.566 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.463 14.302 -3.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.506 15.469 -4.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.449 14.131 -4.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.494 14.062 -5.897 1.00 0.00 H new ATOM 366 N ALA A 71 2.207 7.319 -3.557 1.00 0.00 N ATOM 367 CA ALA A 71 2.146 5.922 -3.954 1.00 0.00 C ATOM 368 C ALA A 71 0.682 5.482 -4.026 1.00 0.00 C ATOM 369 O ALA A 71 0.288 4.783 -4.958 1.00 0.00 O ATOM 370 CB ALA A 71 2.962 5.077 -2.972 1.00 0.00 C ATOM 0 H ALA A 71 2.791 7.505 -2.742 1.00 0.00 H new ATOM 0 HA ALA A 71 2.581 5.783 -4.944 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.917 4.029 -3.269 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.999 5.412 -2.979 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.552 5.188 -1.968 1.00 0.00 H new ATOM 376 N VAL A 72 -0.081 5.908 -3.032 1.00 0.00 N ATOM 377 CA VAL A 72 -1.490 5.560 -2.968 1.00 0.00 C ATOM 378 C VAL A 72 -2.192 6.056 -4.234 1.00 0.00 C ATOM 379 O VAL A 72 -2.552 5.260 -5.100 1.00 0.00 O ATOM 380 CB VAL A 72 -2.110 6.118 -1.684 1.00 0.00 C ATOM 381 CG1 VAL A 72 -3.618 5.859 -1.647 1.00 0.00 C ATOM 382 CG2 VAL A 72 -1.423 5.535 -0.447 1.00 0.00 C ATOM 0 H VAL A 72 0.250 6.492 -2.263 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.614 4.478 -2.930 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.955 7.197 -1.677 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.034 6.265 -0.725 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.091 6.342 -2.502 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.804 4.786 -1.687 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.881 5.947 0.452 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.534 4.451 -0.446 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.364 5.792 -0.464 1.00 0.00 H new ATOM 392 N ARG A 73 -2.362 7.368 -4.302 1.00 0.00 N ATOM 393 CA ARG A 73 -3.044 7.977 -5.432 1.00 0.00 C ATOM 394 C ARG A 73 -2.486 7.427 -6.746 1.00 0.00 C ATOM 395 O ARG A 73 -3.215 7.305 -7.729 1.00 0.00 O ATOM 396 CB ARG A 73 -2.886 9.499 -5.416 1.00 0.00 C ATOM 397 CG ARG A 73 -3.715 10.148 -6.525 1.00 0.00 C ATOM 398 CD ARG A 73 -3.566 11.670 -6.501 1.00 0.00 C ATOM 399 NE ARG A 73 -2.211 12.054 -6.957 1.00 0.00 N ATOM 400 CZ ARG A 73 -1.734 13.306 -6.926 1.00 0.00 C ATOM 401 NH1 ARG A 73 -2.539 14.320 -6.581 1.00 0.00 N ATOM 402 NH2 ARG A 73 -0.454 13.542 -7.243 1.00 0.00 N ATOM 0 H ARG A 73 -2.039 8.027 -3.593 1.00 0.00 H new ATOM 0 HA ARG A 73 -4.103 7.733 -5.352 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.198 9.890 -4.448 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.835 9.760 -5.542 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.397 9.763 -7.494 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.765 9.880 -6.404 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.318 12.127 -7.144 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.739 12.045 -5.492 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.602 11.319 -7.317 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.514 14.139 -6.342 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.177 15.273 -6.557 1.00 0.00 H new ATOM 0 HH21 ARG A 73 0.157 12.769 -7.508 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -0.090 14.495 -7.220 1.00 0.00 H new ATOM 416 N GLY A 74 -1.201 7.110 -6.720 1.00 0.00 N ATOM 417 CA GLY A 74 -0.522 6.635 -7.915 1.00 0.00 C ATOM 418 C GLY A 74 -0.960 5.213 -8.267 1.00 0.00 C ATOM 419 O GLY A 74 -1.032 4.854 -9.442 1.00 0.00 O ATOM 0 H GLY A 74 -0.611 7.172 -5.891 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.738 7.302 -8.749 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.556 6.659 -7.758 1.00 0.00 H new ATOM 423 N ALA A 75 -1.243 4.441 -7.228 1.00 0.00 N ATOM 424 CA ALA A 75 -1.610 3.047 -7.408 1.00 0.00 C ATOM 425 C ALA A 75 -3.119 2.948 -7.642 1.00 0.00 C ATOM 426 O ALA A 75 -3.598 1.975 -8.221 1.00 0.00 O ATOM 427 CB ALA A 75 -1.153 2.237 -6.195 1.00 0.00 C ATOM 0 H ALA A 75 -1.225 4.755 -6.258 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.113 2.629 -8.283 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.429 1.191 -6.331 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.071 2.316 -6.091 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.633 2.625 -5.297 1.00 0.00 H new ATOM 433 N THR A 76 -3.825 3.969 -7.179 1.00 0.00 N ATOM 434 CA THR A 76 -5.274 3.985 -7.285 1.00 0.00 C ATOM 435 C THR A 76 -5.731 5.148 -8.168 1.00 0.00 C ATOM 436 O THR A 76 -6.119 4.944 -9.316 1.00 0.00 O ATOM 437 CB THR A 76 -5.852 4.035 -5.869 1.00 0.00 C ATOM 438 OG1 THR A 76 -5.337 5.249 -5.326 1.00 0.00 O ATOM 439 CG2 THR A 76 -5.273 2.947 -4.961 1.00 0.00 C ATOM 0 H THR A 76 -3.421 4.791 -6.730 1.00 0.00 H new ATOM 0 HA THR A 76 -5.644 3.083 -7.771 1.00 0.00 H new ATOM 0 HB THR A 76 -6.936 3.930 -5.916 1.00 0.00 H new ATOM 0 HG1 THR A 76 -4.382 5.143 -5.136 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.716 3.027 -3.969 1.00 0.00 H new ATOM 0 HG22 THR A 76 -5.497 1.966 -5.380 1.00 0.00 H new ATOM 0 HG23 THR A 76 -4.193 3.072 -4.887 1.00 0.00 H new ATOM 447 N GLY A 77 -5.666 6.342 -7.598 1.00 0.00 N ATOM 448 CA GLY A 77 -6.106 7.534 -8.305 1.00 0.00 C ATOM 449 C GLY A 77 -7.274 8.203 -7.580 1.00 0.00 C ATOM 450 O GLY A 77 -8.002 9.000 -8.169 1.00 0.00 O ATOM 0 H GLY A 77 -5.316 6.510 -6.655 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.277 8.236 -8.391 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.407 7.269 -9.319 1.00 0.00 H new ATOM 454 N LEU A 78 -7.418 7.855 -6.310 1.00 0.00 N ATOM 455 CA LEU A 78 -8.469 8.432 -5.490 1.00 0.00 C ATOM 456 C LEU A 78 -8.145 9.900 -5.211 1.00 0.00 C ATOM 457 O LEU A 78 -6.980 10.295 -5.217 1.00 0.00 O ATOM 458 CB LEU A 78 -8.681 7.597 -4.225 1.00 0.00 C ATOM 459 CG LEU A 78 -9.300 6.213 -4.428 1.00 0.00 C ATOM 460 CD1 LEU A 78 -9.263 5.399 -3.134 1.00 0.00 C ATOM 461 CD2 LEU A 78 -10.716 6.324 -4.997 1.00 0.00 C ATOM 0 H LEU A 78 -6.824 7.180 -5.829 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.421 8.411 -6.021 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.718 7.473 -3.731 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.318 8.161 -3.544 1.00 0.00 H new ATOM 0 HG LEU A 78 -8.700 5.675 -5.162 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -9.709 4.420 -3.307 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.229 5.275 -2.812 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.824 5.922 -2.359 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -11.133 5.326 -5.132 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -11.342 6.889 -4.307 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -10.683 6.836 -5.959 1.00 0.00 H new ATOM 473 N GLY A 79 -9.196 10.671 -4.973 1.00 0.00 N ATOM 474 CA GLY A 79 -9.036 12.084 -4.676 1.00 0.00 C ATOM 475 C GLY A 79 -8.077 12.293 -3.502 1.00 0.00 C ATOM 476 O GLY A 79 -8.062 11.502 -2.560 1.00 0.00 O ATOM 0 H GLY A 79 -10.162 10.343 -4.980 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.657 12.604 -5.556 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.006 12.522 -4.440 1.00 0.00 H new ATOM 480 N LEU A 80 -7.299 13.361 -3.598 1.00 0.00 N ATOM 481 CA LEU A 80 -6.355 13.696 -2.545 1.00 0.00 C ATOM 482 C LEU A 80 -7.010 13.459 -1.183 1.00 0.00 C ATOM 483 O LEU A 80 -6.406 12.859 -0.294 1.00 0.00 O ATOM 484 CB LEU A 80 -5.823 15.119 -2.733 1.00 0.00 C ATOM 485 CG LEU A 80 -4.419 15.388 -2.190 1.00 0.00 C ATOM 486 CD1 LEU A 80 -4.352 15.117 -0.686 1.00 0.00 C ATOM 487 CD2 LEU A 80 -3.369 14.588 -2.963 1.00 0.00 C ATOM 0 H LEU A 80 -7.303 14.006 -4.388 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.482 13.045 -2.596 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.829 15.350 -3.798 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.515 15.811 -2.253 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.192 16.444 -2.338 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.343 15.316 -0.325 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.057 15.766 -0.168 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.608 14.075 -0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.380 14.798 -2.556 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.581 13.523 -2.869 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.397 14.872 -4.015 1.00 0.00 H new ATOM 499 N LYS A 81 -8.237 13.943 -1.060 1.00 0.00 N ATOM 500 CA LYS A 81 -8.974 13.809 0.185 1.00 0.00 C ATOM 501 C LYS A 81 -9.107 12.326 0.535 1.00 0.00 C ATOM 502 O LYS A 81 -8.545 11.866 1.529 1.00 0.00 O ATOM 503 CB LYS A 81 -10.313 14.542 0.096 1.00 0.00 C ATOM 504 CG LYS A 81 -11.169 14.273 1.336 1.00 0.00 C ATOM 505 CD LYS A 81 -10.483 14.795 2.599 1.00 0.00 C ATOM 506 CE LYS A 81 -11.512 15.276 3.624 1.00 0.00 C ATOM 507 NZ LYS A 81 -12.346 14.147 4.091 1.00 0.00 N ATOM 0 H LYS A 81 -8.740 14.429 -1.803 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.431 14.283 1.003 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.139 15.613 -0.005 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -10.849 14.221 -0.797 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.142 14.752 1.222 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -11.350 13.202 1.432 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -9.870 14.007 3.036 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -9.812 15.614 2.340 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -11.003 15.734 4.472 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -12.145 16.044 3.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.331 14.296 3.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -11.991 13.260 3.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -12.303 14.090 5.129 1.00 0.00 H new ATOM 521 N GLU A 82 -9.851 11.617 -0.300 1.00 0.00 N ATOM 522 CA GLU A 82 -10.080 10.199 -0.079 1.00 0.00 C ATOM 523 C GLU A 82 -8.786 9.515 0.365 1.00 0.00 C ATOM 524 O GLU A 82 -8.788 8.728 1.310 1.00 0.00 O ATOM 525 CB GLU A 82 -10.649 9.534 -1.335 1.00 0.00 C ATOM 526 CG GLU A 82 -12.113 9.923 -1.546 1.00 0.00 C ATOM 527 CD GLU A 82 -12.661 9.318 -2.841 1.00 0.00 C ATOM 528 OE1 GLU A 82 -12.338 9.878 -3.910 1.00 0.00 O ATOM 529 OE2 GLU A 82 -13.388 8.309 -2.732 1.00 0.00 O ATOM 0 H GLU A 82 -10.303 11.998 -1.131 1.00 0.00 H new ATOM 0 HA GLU A 82 -10.817 10.089 0.717 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.062 9.829 -2.205 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.566 8.451 -1.247 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -12.709 9.581 -0.700 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -12.203 11.009 -1.581 1.00 0.00 H new ATOM 536 N ALA A 83 -7.711 9.841 -0.339 1.00 0.00 N ATOM 537 CA ALA A 83 -6.425 9.222 -0.068 1.00 0.00 C ATOM 538 C ALA A 83 -5.978 9.584 1.349 1.00 0.00 C ATOM 539 O ALA A 83 -5.539 8.718 2.105 1.00 0.00 O ATOM 540 CB ALA A 83 -5.412 9.662 -1.128 1.00 0.00 C ATOM 0 H ALA A 83 -7.705 10.525 -1.096 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.504 8.136 -0.122 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.447 9.197 -0.924 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.761 9.356 -2.114 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.305 10.746 -1.101 1.00 0.00 H new ATOM 546 N LYS A 84 -6.104 10.864 1.667 1.00 0.00 N ATOM 547 CA LYS A 84 -5.708 11.352 2.977 1.00 0.00 C ATOM 548 C LYS A 84 -6.449 10.560 4.057 1.00 0.00 C ATOM 549 O LYS A 84 -5.826 9.996 4.954 1.00 0.00 O ATOM 550 CB LYS A 84 -5.918 12.864 3.070 1.00 0.00 C ATOM 551 CG LYS A 84 -5.339 13.418 4.374 1.00 0.00 C ATOM 552 CD LYS A 84 -6.113 14.656 4.835 1.00 0.00 C ATOM 553 CE LYS A 84 -7.051 14.315 5.994 1.00 0.00 C ATOM 554 NZ LYS A 84 -8.215 13.542 5.509 1.00 0.00 N ATOM 0 H LYS A 84 -6.475 11.578 1.040 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.642 11.191 3.138 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -5.443 13.354 2.220 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -6.983 13.091 3.015 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -5.378 12.651 5.148 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -4.289 13.674 4.230 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.413 15.432 5.145 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.689 15.060 4.003 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -6.513 13.739 6.747 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -7.391 15.232 6.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -9.056 13.793 6.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -8.386 13.764 4.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -8.023 12.525 5.610 1.00 0.00 H new ATOM 568 N ASP A 85 -7.768 10.546 3.936 1.00 0.00 N ATOM 569 CA ASP A 85 -8.603 9.870 4.914 1.00 0.00 C ATOM 570 C ASP A 85 -8.174 8.405 5.018 1.00 0.00 C ATOM 571 O ASP A 85 -7.985 7.887 6.117 1.00 0.00 O ATOM 572 CB ASP A 85 -10.076 9.905 4.500 1.00 0.00 C ATOM 573 CG ASP A 85 -10.706 11.298 4.468 1.00 0.00 C ATOM 574 OD1 ASP A 85 -10.525 12.026 5.467 1.00 0.00 O ATOM 575 OD2 ASP A 85 -11.355 11.603 3.445 1.00 0.00 O ATOM 0 H ASP A 85 -8.280 10.992 3.175 1.00 0.00 H new ATOM 0 HA ASP A 85 -8.486 10.382 5.869 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.170 9.457 3.511 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.646 9.281 5.188 1.00 0.00 H new ATOM 580 N LEU A 86 -8.034 7.779 3.859 1.00 0.00 N ATOM 581 CA LEU A 86 -7.653 6.379 3.806 1.00 0.00 C ATOM 582 C LEU A 86 -6.442 6.149 4.715 1.00 0.00 C ATOM 583 O LEU A 86 -6.508 5.356 5.652 1.00 0.00 O ATOM 584 CB LEU A 86 -7.425 5.940 2.359 1.00 0.00 C ATOM 585 CG LEU A 86 -7.004 4.482 2.158 1.00 0.00 C ATOM 586 CD1 LEU A 86 -7.654 3.890 0.906 1.00 0.00 C ATOM 587 CD2 LEU A 86 -5.481 4.352 2.128 1.00 0.00 C ATOM 0 H LEU A 86 -8.178 8.216 2.949 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.460 5.751 4.183 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -8.344 6.112 1.799 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.660 6.582 1.922 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.361 3.903 3.010 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.338 2.854 0.787 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.739 3.929 1.006 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.349 4.465 0.031 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.208 3.307 1.984 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.081 4.948 1.308 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.067 4.709 3.071 1.00 0.00 H new ATOM 599 N VAL A 87 -5.369 6.860 4.407 1.00 0.00 N ATOM 600 CA VAL A 87 -4.122 6.688 5.134 1.00 0.00 C ATOM 601 C VAL A 87 -4.357 6.991 6.617 1.00 0.00 C ATOM 602 O VAL A 87 -3.815 6.309 7.485 1.00 0.00 O ATOM 603 CB VAL A 87 -3.028 7.557 4.513 1.00 0.00 C ATOM 604 CG1 VAL A 87 -1.738 7.484 5.331 1.00 0.00 C ATOM 605 CG2 VAL A 87 -2.777 7.165 3.055 1.00 0.00 C ATOM 0 H VAL A 87 -5.336 7.557 3.663 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.777 5.657 5.062 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.374 8.591 4.527 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -0.977 8.111 4.867 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -1.930 7.836 6.345 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.387 6.453 5.365 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -1.994 7.799 2.637 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.463 6.122 3.007 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.694 7.295 2.480 1.00 0.00 H new ATOM 615 N GLU A 88 -5.165 8.011 6.858 1.00 0.00 N ATOM 616 CA GLU A 88 -5.431 8.450 8.217 1.00 0.00 C ATOM 617 C GLU A 88 -6.304 7.424 8.945 1.00 0.00 C ATOM 618 O GLU A 88 -6.406 7.447 10.169 1.00 0.00 O ATOM 619 CB GLU A 88 -6.085 9.833 8.230 1.00 0.00 C ATOM 620 CG GLU A 88 -5.029 10.939 8.240 1.00 0.00 C ATOM 621 CD GLU A 88 -5.557 12.196 8.934 1.00 0.00 C ATOM 622 OE1 GLU A 88 -6.419 12.032 9.825 1.00 0.00 O ATOM 623 OE2 GLU A 88 -5.087 13.292 8.558 1.00 0.00 O ATOM 0 H GLU A 88 -5.645 8.547 6.135 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.480 8.530 8.744 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.725 9.945 7.355 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.725 9.928 9.107 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.133 10.586 8.751 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.739 11.179 7.217 1.00 0.00 H new ATOM 630 N SER A 89 -6.911 6.548 8.157 1.00 0.00 N ATOM 631 CA SER A 89 -7.804 5.541 8.706 1.00 0.00 C ATOM 632 C SER A 89 -7.107 4.179 8.726 1.00 0.00 C ATOM 633 O SER A 89 -7.767 3.142 8.779 1.00 0.00 O ATOM 634 CB SER A 89 -9.104 5.461 7.904 1.00 0.00 C ATOM 635 OG SER A 89 -9.877 6.651 8.020 1.00 0.00 O ATOM 0 H SER A 89 -6.802 6.515 7.143 1.00 0.00 H new ATOM 0 HA SER A 89 -8.057 5.828 9.727 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.872 5.281 6.854 1.00 0.00 H new ATOM 0 HB3 SER A 89 -9.692 4.611 8.251 1.00 0.00 H new ATOM 0 HG SER A 89 -9.487 7.351 7.456 1.00 0.00 H new ATOM 641 N ALA A 90 -5.784 4.226 8.683 1.00 0.00 N ATOM 642 CA ALA A 90 -4.991 3.009 8.718 1.00 0.00 C ATOM 643 C ALA A 90 -5.452 2.137 9.886 1.00 0.00 C ATOM 644 O ALA A 90 -5.935 2.650 10.896 1.00 0.00 O ATOM 645 CB ALA A 90 -3.506 3.369 8.810 1.00 0.00 C ATOM 0 H ALA A 90 -5.241 5.088 8.624 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.131 2.434 7.803 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.911 2.456 8.836 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.221 3.963 7.941 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.327 3.945 9.718 1.00 0.00 H new ATOM 651 N PRO A 91 -5.285 0.800 9.707 1.00 0.00 N ATOM 652 CA PRO A 91 -4.723 0.274 8.476 1.00 0.00 C ATOM 653 C PRO A 91 -5.744 0.334 7.337 1.00 0.00 C ATOM 654 O PRO A 91 -6.949 0.380 7.581 1.00 0.00 O ATOM 655 CB PRO A 91 -4.291 -1.143 8.813 1.00 0.00 C ATOM 656 CG PRO A 91 -5.047 -1.518 10.078 1.00 0.00 C ATOM 657 CD PRO A 91 -5.627 -0.243 10.670 1.00 0.00 C ATOM 0 HA PRO A 91 -3.876 0.859 8.118 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.528 -1.828 7.999 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -3.214 -1.196 8.971 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -5.841 -2.229 9.851 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -4.380 -2.002 10.792 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.706 -0.322 10.802 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -5.201 -0.032 11.651 1.00 0.00 H new ATOM 665 N ALA A 92 -5.224 0.333 6.117 1.00 0.00 N ATOM 666 CA ALA A 92 -6.074 0.408 4.942 1.00 0.00 C ATOM 667 C ALA A 92 -5.573 -0.585 3.891 1.00 0.00 C ATOM 668 O ALA A 92 -4.410 -0.984 3.915 1.00 0.00 O ATOM 669 CB ALA A 92 -6.099 1.847 4.421 1.00 0.00 C ATOM 0 H ALA A 92 -4.225 0.281 5.918 1.00 0.00 H new ATOM 0 HA ALA A 92 -7.099 0.134 5.191 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -6.737 1.904 3.539 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.490 2.507 5.195 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -5.088 2.156 4.158 1.00 0.00 H new ATOM 675 N ALA A 93 -6.475 -0.954 2.995 1.00 0.00 N ATOM 676 CA ALA A 93 -6.132 -1.870 1.921 1.00 0.00 C ATOM 677 C ALA A 93 -5.676 -1.072 0.699 1.00 0.00 C ATOM 678 O ALA A 93 -6.469 -0.354 0.091 1.00 0.00 O ATOM 679 CB ALA A 93 -7.331 -2.770 1.615 1.00 0.00 C ATOM 0 H ALA A 93 -7.444 -0.635 2.990 1.00 0.00 H new ATOM 0 HA ALA A 93 -5.306 -2.516 2.218 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -7.074 -3.457 0.809 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -7.596 -3.339 2.506 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -8.179 -2.156 1.311 1.00 0.00 H new ATOM 685 N LEU A 94 -4.400 -1.221 0.376 1.00 0.00 N ATOM 686 CA LEU A 94 -3.831 -0.531 -0.770 1.00 0.00 C ATOM 687 C LEU A 94 -4.125 -1.331 -2.039 1.00 0.00 C ATOM 688 O LEU A 94 -4.530 -0.767 -3.054 1.00 0.00 O ATOM 689 CB LEU A 94 -2.343 -0.257 -0.546 1.00 0.00 C ATOM 690 CG LEU A 94 -1.989 1.129 -0.002 1.00 0.00 C ATOM 691 CD1 LEU A 94 -0.491 1.238 0.287 1.00 0.00 C ATOM 692 CD2 LEU A 94 -2.474 2.228 -0.948 1.00 0.00 C ATOM 0 H LEU A 94 -3.743 -1.810 0.888 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.296 0.447 -0.895 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.956 -1.006 0.145 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.822 -0.398 -1.493 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.509 1.269 0.946 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.266 2.233 0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.208 0.489 1.027 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.070 1.070 -0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.210 3.203 -0.539 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.002 2.104 -1.923 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.556 2.162 -1.058 1.00 0.00 H new ATOM 704 N LYS A 95 -3.912 -2.635 -1.942 1.00 0.00 N ATOM 705 CA LYS A 95 -4.152 -3.519 -3.068 1.00 0.00 C ATOM 706 C LYS A 95 -4.653 -4.871 -2.554 1.00 0.00 C ATOM 707 O LYS A 95 -4.268 -5.307 -1.470 1.00 0.00 O ATOM 708 CB LYS A 95 -2.904 -3.620 -3.947 1.00 0.00 C ATOM 709 CG LYS A 95 -1.988 -2.412 -3.740 1.00 0.00 C ATOM 710 CD LYS A 95 -0.670 -2.588 -4.494 1.00 0.00 C ATOM 711 CE LYS A 95 -0.488 -1.489 -5.544 1.00 0.00 C ATOM 712 NZ LYS A 95 -1.358 -1.743 -6.714 1.00 0.00 N ATOM 0 H LYS A 95 -3.575 -3.100 -1.099 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.934 -3.112 -3.710 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.362 -4.536 -3.712 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.197 -3.683 -4.995 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -2.490 -1.508 -4.084 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -1.788 -2.281 -2.677 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.162 -2.565 -3.790 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -0.651 -3.565 -4.978 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.727 -0.519 -5.109 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.554 -1.448 -5.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -1.223 -0.989 -7.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -1.111 -2.660 -7.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -2.352 -1.759 -6.410 1.00 0.00 H new ATOM 726 N GLU A 96 -5.504 -5.496 -3.355 1.00 0.00 N ATOM 727 CA GLU A 96 -6.057 -6.790 -2.995 1.00 0.00 C ATOM 728 C GLU A 96 -5.814 -7.802 -4.116 1.00 0.00 C ATOM 729 O GLU A 96 -6.145 -7.544 -5.274 1.00 0.00 O ATOM 730 CB GLU A 96 -7.548 -6.678 -2.672 1.00 0.00 C ATOM 731 CG GLU A 96 -7.782 -5.750 -1.478 1.00 0.00 C ATOM 732 CD GLU A 96 -9.253 -5.760 -1.055 1.00 0.00 C ATOM 733 OE1 GLU A 96 -9.710 -6.838 -0.618 1.00 0.00 O ATOM 734 OE2 GLU A 96 -9.886 -4.689 -1.178 1.00 0.00 O ATOM 0 H GLU A 96 -5.824 -5.130 -4.252 1.00 0.00 H new ATOM 0 HA GLU A 96 -5.549 -7.143 -2.097 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -8.085 -6.300 -3.542 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -7.952 -7.667 -2.453 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.157 -6.063 -0.642 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.481 -4.735 -1.738 1.00 0.00 H new ATOM 741 N GLY A 97 -5.238 -8.933 -3.736 1.00 0.00 N ATOM 742 CA GLY A 97 -4.962 -9.991 -4.693 1.00 0.00 C ATOM 743 C GLY A 97 -4.351 -9.424 -5.976 1.00 0.00 C ATOM 744 O GLY A 97 -5.010 -9.378 -7.013 1.00 0.00 O ATOM 0 H GLY A 97 -4.955 -9.140 -2.778 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.280 -10.717 -4.251 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -5.884 -10.522 -4.929 1.00 0.00 H new ATOM 748 N VAL A 98 -3.099 -9.008 -5.863 1.00 0.00 N ATOM 749 CA VAL A 98 -2.386 -8.458 -7.004 1.00 0.00 C ATOM 750 C VAL A 98 -1.106 -9.263 -7.238 1.00 0.00 C ATOM 751 O VAL A 98 -0.707 -10.061 -6.392 1.00 0.00 O ATOM 752 CB VAL A 98 -2.122 -6.967 -6.789 1.00 0.00 C ATOM 753 CG1 VAL A 98 -3.436 -6.196 -6.628 1.00 0.00 C ATOM 754 CG2 VAL A 98 -1.204 -6.741 -5.586 1.00 0.00 C ATOM 0 H VAL A 98 -2.559 -9.041 -4.998 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.992 -8.540 -7.906 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.614 -6.585 -7.675 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.221 -5.138 -6.476 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.042 -6.318 -7.526 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.981 -6.582 -5.767 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.032 -5.673 -5.455 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.673 -7.146 -4.689 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.252 -7.244 -5.756 1.00 0.00 H new ATOM 764 N SER A 99 -0.498 -9.026 -8.392 1.00 0.00 N ATOM 765 CA SER A 99 0.732 -9.713 -8.744 1.00 0.00 C ATOM 766 C SER A 99 1.810 -9.429 -7.695 1.00 0.00 C ATOM 767 O SER A 99 1.914 -8.310 -7.195 1.00 0.00 O ATOM 768 CB SER A 99 1.219 -9.293 -10.132 1.00 0.00 C ATOM 769 OG SER A 99 1.473 -7.893 -10.209 1.00 0.00 O ATOM 0 H SER A 99 -0.835 -8.368 -9.094 1.00 0.00 H new ATOM 0 HA SER A 99 0.530 -10.784 -8.767 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.129 -9.840 -10.378 1.00 0.00 H new ATOM 0 HB3 SER A 99 0.472 -9.567 -10.876 1.00 0.00 H new ATOM 0 HG SER A 99 0.635 -7.418 -10.391 1.00 0.00 H new ATOM 775 N LYS A 100 2.584 -10.460 -7.394 1.00 0.00 N ATOM 776 CA LYS A 100 3.636 -10.341 -6.399 1.00 0.00 C ATOM 777 C LYS A 100 4.570 -9.192 -6.784 1.00 0.00 C ATOM 778 O LYS A 100 4.951 -8.385 -5.937 1.00 0.00 O ATOM 779 CB LYS A 100 4.352 -11.680 -6.213 1.00 0.00 C ATOM 780 CG LYS A 100 5.361 -11.608 -5.064 1.00 0.00 C ATOM 781 CD LYS A 100 6.766 -11.302 -5.586 1.00 0.00 C ATOM 782 CE LYS A 100 7.792 -11.336 -4.452 1.00 0.00 C ATOM 783 NZ LYS A 100 9.167 -11.389 -4.998 1.00 0.00 N ATOM 0 H LYS A 100 2.504 -11.383 -7.822 1.00 0.00 H new ATOM 0 HA LYS A 100 3.212 -10.095 -5.425 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.621 -12.462 -6.011 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.865 -11.953 -7.135 1.00 0.00 H new ATOM 0 HG2 LYS A 100 5.057 -10.837 -4.356 1.00 0.00 H new ATOM 0 HG3 LYS A 100 5.369 -12.554 -4.522 1.00 0.00 H new ATOM 0 HD2 LYS A 100 7.040 -12.029 -6.351 1.00 0.00 H new ATOM 0 HD3 LYS A 100 6.776 -10.321 -6.061 1.00 0.00 H new ATOM 0 HE2 LYS A 100 7.678 -10.453 -3.824 1.00 0.00 H new ATOM 0 HE3 LYS A 100 7.613 -12.204 -3.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 9.650 -12.238 -4.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 9.127 -11.425 -6.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 9.691 -10.541 -4.701 1.00 0.00 H new ATOM 797 N ASP A 101 4.912 -9.154 -8.063 1.00 0.00 N ATOM 798 CA ASP A 101 5.851 -8.162 -8.559 1.00 0.00 C ATOM 799 C ASP A 101 5.337 -6.763 -8.211 1.00 0.00 C ATOM 800 O ASP A 101 6.112 -5.895 -7.813 1.00 0.00 O ATOM 801 CB ASP A 101 5.993 -8.248 -10.080 1.00 0.00 C ATOM 802 CG ASP A 101 6.739 -9.483 -10.591 1.00 0.00 C ATOM 803 OD1 ASP A 101 6.065 -10.522 -10.758 1.00 0.00 O ATOM 804 OD2 ASP A 101 7.964 -9.358 -10.804 1.00 0.00 O ATOM 0 H ASP A 101 4.555 -9.795 -8.772 1.00 0.00 H new ATOM 0 HA ASP A 101 6.819 -8.353 -8.096 1.00 0.00 H new ATOM 0 HB2 ASP A 101 4.998 -8.234 -10.524 1.00 0.00 H new ATOM 0 HB3 ASP A 101 6.512 -7.357 -10.432 1.00 0.00 H new ATOM 809 N ASP A 102 4.035 -6.587 -8.373 1.00 0.00 N ATOM 810 CA ASP A 102 3.417 -5.294 -8.137 1.00 0.00 C ATOM 811 C ASP A 102 3.466 -4.977 -6.641 1.00 0.00 C ATOM 812 O ASP A 102 3.661 -3.826 -6.253 1.00 0.00 O ATOM 813 CB ASP A 102 1.950 -5.294 -8.572 1.00 0.00 C ATOM 814 CG ASP A 102 1.722 -5.101 -10.073 1.00 0.00 C ATOM 815 OD1 ASP A 102 2.721 -4.819 -10.768 1.00 0.00 O ATOM 816 OD2 ASP A 102 0.552 -5.242 -10.490 1.00 0.00 O ATOM 0 H ASP A 102 3.389 -7.320 -8.666 1.00 0.00 H new ATOM 0 HA ASP A 102 3.963 -4.549 -8.716 1.00 0.00 H new ATOM 0 HB2 ASP A 102 1.497 -6.238 -8.269 1.00 0.00 H new ATOM 0 HB3 ASP A 102 1.427 -4.502 -8.035 1.00 0.00 H new ATOM 821 N ALA A 103 3.286 -6.017 -5.841 1.00 0.00 N ATOM 822 CA ALA A 103 3.285 -5.861 -4.397 1.00 0.00 C ATOM 823 C ALA A 103 4.680 -5.434 -3.933 1.00 0.00 C ATOM 824 O ALA A 103 4.819 -4.491 -3.158 1.00 0.00 O ATOM 825 CB ALA A 103 2.827 -7.165 -3.741 1.00 0.00 C ATOM 0 H ALA A 103 3.140 -6.973 -6.166 1.00 0.00 H new ATOM 0 HA ALA A 103 2.584 -5.082 -4.097 1.00 0.00 H new ATOM 0 HB1 ALA A 103 2.827 -7.047 -2.657 1.00 0.00 H new ATOM 0 HB2 ALA A 103 1.820 -7.409 -4.080 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.508 -7.970 -4.018 1.00 0.00 H new ATOM 831 N GLU A 104 5.679 -6.153 -4.429 1.00 0.00 N ATOM 832 CA GLU A 104 7.049 -5.913 -4.014 1.00 0.00 C ATOM 833 C GLU A 104 7.557 -4.590 -4.593 1.00 0.00 C ATOM 834 O GLU A 104 8.424 -3.944 -4.008 1.00 0.00 O ATOM 835 CB GLU A 104 7.958 -7.074 -4.423 1.00 0.00 C ATOM 836 CG GLU A 104 9.391 -6.846 -3.941 1.00 0.00 C ATOM 837 CD GLU A 104 10.211 -8.134 -4.028 1.00 0.00 C ATOM 838 OE1 GLU A 104 10.008 -8.870 -5.018 1.00 0.00 O ATOM 839 OE2 GLU A 104 11.023 -8.354 -3.103 1.00 0.00 O ATOM 0 H GLU A 104 5.565 -6.901 -5.113 1.00 0.00 H new ATOM 0 HA GLU A 104 7.070 -5.843 -2.926 1.00 0.00 H new ATOM 0 HB2 GLU A 104 7.574 -8.005 -4.006 1.00 0.00 H new ATOM 0 HB3 GLU A 104 7.949 -7.183 -5.508 1.00 0.00 H new ATOM 0 HG2 GLU A 104 9.862 -6.070 -4.544 1.00 0.00 H new ATOM 0 HG3 GLU A 104 9.379 -6.487 -2.912 1.00 0.00 H new ATOM 846 N ALA A 105 6.992 -4.226 -5.735 1.00 0.00 N ATOM 847 CA ALA A 105 7.418 -3.025 -6.432 1.00 0.00 C ATOM 848 C ALA A 105 7.080 -1.800 -5.581 1.00 0.00 C ATOM 849 O ALA A 105 7.942 -0.962 -5.322 1.00 0.00 O ATOM 850 CB ALA A 105 6.762 -2.975 -7.813 1.00 0.00 C ATOM 0 H ALA A 105 6.242 -4.742 -6.195 1.00 0.00 H new ATOM 0 HA ALA A 105 8.497 -3.033 -6.585 1.00 0.00 H new ATOM 0 HB1 ALA A 105 7.082 -2.074 -8.335 1.00 0.00 H new ATOM 0 HB2 ALA A 105 7.058 -3.852 -8.388 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.678 -2.964 -7.701 1.00 0.00 H new ATOM 856 N LEU A 106 5.822 -1.733 -5.170 1.00 0.00 N ATOM 857 CA LEU A 106 5.353 -0.612 -4.373 1.00 0.00 C ATOM 858 C LEU A 106 5.973 -0.691 -2.977 1.00 0.00 C ATOM 859 O LEU A 106 6.362 0.328 -2.409 1.00 0.00 O ATOM 860 CB LEU A 106 3.824 -0.564 -4.365 1.00 0.00 C ATOM 861 CG LEU A 106 3.196 0.756 -3.911 1.00 0.00 C ATOM 862 CD1 LEU A 106 3.212 1.788 -5.041 1.00 0.00 C ATOM 863 CD2 LEU A 106 1.787 0.532 -3.358 1.00 0.00 C ATOM 0 H LEU A 106 5.113 -2.437 -5.374 1.00 0.00 H new ATOM 0 HA LEU A 106 5.676 0.331 -4.813 1.00 0.00 H new ATOM 0 HB2 LEU A 106 3.468 -0.785 -5.371 1.00 0.00 H new ATOM 0 HB3 LEU A 106 3.459 -1.359 -3.715 1.00 0.00 H new ATOM 0 HG LEU A 106 3.800 1.160 -3.098 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.760 2.717 -4.692 1.00 0.00 H new ATOM 0 HD12 LEU A 106 4.241 1.977 -5.346 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.646 1.406 -5.891 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.364 1.486 -3.043 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.157 0.094 -4.133 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.834 -0.144 -2.504 1.00 0.00 H new ATOM 875 N LYS A 107 6.045 -1.911 -2.463 1.00 0.00 N ATOM 876 CA LYS A 107 6.614 -2.135 -1.145 1.00 0.00 C ATOM 877 C LYS A 107 8.014 -1.520 -1.087 1.00 0.00 C ATOM 878 O LYS A 107 8.329 -0.769 -0.165 1.00 0.00 O ATOM 879 CB LYS A 107 6.581 -3.623 -0.794 1.00 0.00 C ATOM 880 CG LYS A 107 7.175 -3.873 0.594 1.00 0.00 C ATOM 881 CD LYS A 107 6.872 -5.294 1.072 1.00 0.00 C ATOM 882 CE LYS A 107 7.840 -5.717 2.179 1.00 0.00 C ATOM 883 NZ LYS A 107 7.453 -7.036 2.729 1.00 0.00 N ATOM 0 H LYS A 107 5.719 -2.754 -2.936 1.00 0.00 H new ATOM 0 HA LYS A 107 6.015 -1.638 -0.382 1.00 0.00 H new ATOM 0 HB2 LYS A 107 5.553 -3.985 -0.824 1.00 0.00 H new ATOM 0 HB3 LYS A 107 7.140 -4.189 -1.540 1.00 0.00 H new ATOM 0 HG2 LYS A 107 8.253 -3.717 0.565 1.00 0.00 H new ATOM 0 HG3 LYS A 107 6.768 -3.152 1.303 1.00 0.00 H new ATOM 0 HD2 LYS A 107 5.847 -5.347 1.440 1.00 0.00 H new ATOM 0 HD3 LYS A 107 6.946 -5.987 0.234 1.00 0.00 H new ATOM 0 HE2 LYS A 107 8.855 -5.764 1.784 1.00 0.00 H new ATOM 0 HE3 LYS A 107 7.841 -4.971 2.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 8.120 -7.309 3.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 6.492 -6.979 3.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 7.474 -7.748 1.971 1.00 0.00 H new ATOM 897 N LYS A 108 8.817 -1.863 -2.083 1.00 0.00 N ATOM 898 CA LYS A 108 10.183 -1.371 -2.146 1.00 0.00 C ATOM 899 C LYS A 108 10.174 0.158 -2.083 1.00 0.00 C ATOM 900 O LYS A 108 10.999 0.760 -1.399 1.00 0.00 O ATOM 901 CB LYS A 108 10.899 -1.931 -3.377 1.00 0.00 C ATOM 902 CG LYS A 108 11.493 -3.311 -3.086 1.00 0.00 C ATOM 903 CD LYS A 108 12.139 -3.905 -4.339 1.00 0.00 C ATOM 904 CE LYS A 108 12.858 -5.216 -4.015 1.00 0.00 C ATOM 905 NZ LYS A 108 13.606 -5.701 -5.197 1.00 0.00 N ATOM 0 H LYS A 108 8.548 -2.476 -2.853 1.00 0.00 H new ATOM 0 HA LYS A 108 10.754 -1.723 -1.286 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.198 -2.001 -4.209 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.691 -1.248 -3.684 1.00 0.00 H new ATOM 0 HG2 LYS A 108 12.236 -3.231 -2.292 1.00 0.00 H new ATOM 0 HG3 LYS A 108 10.711 -3.979 -2.724 1.00 0.00 H new ATOM 0 HD2 LYS A 108 11.376 -4.082 -5.097 1.00 0.00 H new ATOM 0 HD3 LYS A 108 12.847 -3.192 -4.760 1.00 0.00 H new ATOM 0 HE2 LYS A 108 13.543 -5.066 -3.180 1.00 0.00 H new ATOM 0 HE3 LYS A 108 12.133 -5.968 -3.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 14.089 -6.592 -4.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 12.945 -5.863 -5.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 14.311 -4.989 -5.478 1.00 0.00 H new ATOM 919 N ALA A 109 9.230 0.742 -2.808 1.00 0.00 N ATOM 920 CA ALA A 109 9.107 2.190 -2.849 1.00 0.00 C ATOM 921 C ALA A 109 8.697 2.701 -1.466 1.00 0.00 C ATOM 922 O ALA A 109 9.196 3.728 -1.007 1.00 0.00 O ATOM 923 CB ALA A 109 8.108 2.586 -3.937 1.00 0.00 C ATOM 0 H ALA A 109 8.544 0.239 -3.371 1.00 0.00 H new ATOM 0 HA ALA A 109 10.062 2.650 -3.101 1.00 0.00 H new ATOM 0 HB1 ALA A 109 8.015 3.672 -3.968 1.00 0.00 H new ATOM 0 HB2 ALA A 109 8.460 2.224 -4.903 1.00 0.00 H new ATOM 0 HB3 ALA A 109 7.136 2.145 -3.716 1.00 0.00 H new ATOM 929 N LEU A 110 7.792 1.963 -0.841 1.00 0.00 N ATOM 930 CA LEU A 110 7.271 2.358 0.457 1.00 0.00 C ATOM 931 C LEU A 110 8.403 2.335 1.485 1.00 0.00 C ATOM 932 O LEU A 110 8.517 3.239 2.309 1.00 0.00 O ATOM 933 CB LEU A 110 6.074 1.486 0.840 1.00 0.00 C ATOM 934 CG LEU A 110 4.834 1.621 -0.047 1.00 0.00 C ATOM 935 CD1 LEU A 110 4.080 0.293 -0.139 1.00 0.00 C ATOM 936 CD2 LEU A 110 3.934 2.760 0.439 1.00 0.00 C ATOM 0 H LEU A 110 7.406 1.094 -1.209 1.00 0.00 H new ATOM 0 HA LEU A 110 6.894 3.380 0.422 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.391 0.443 0.830 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.790 1.723 1.865 1.00 0.00 H new ATOM 0 HG LEU A 110 5.160 1.877 -1.055 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.203 0.416 -0.775 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.734 -0.468 -0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 110 3.765 -0.016 0.858 1.00 0.00 H new ATOM 0 HD21 LEU A 110 3.060 2.835 -0.208 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.613 2.559 1.461 1.00 0.00 H new ATOM 0 HD23 LEU A 110 4.488 3.698 0.411 1.00 0.00 H new ATOM 948 N GLU A 111 9.213 1.288 1.403 1.00 0.00 N ATOM 949 CA GLU A 111 10.329 1.133 2.318 1.00 0.00 C ATOM 950 C GLU A 111 11.352 2.252 2.105 1.00 0.00 C ATOM 951 O GLU A 111 11.857 2.828 3.065 1.00 0.00 O ATOM 952 CB GLU A 111 10.981 -0.242 2.161 1.00 0.00 C ATOM 953 CG GLU A 111 10.061 -1.348 2.678 1.00 0.00 C ATOM 954 CD GLU A 111 10.851 -2.623 2.982 1.00 0.00 C ATOM 955 OE1 GLU A 111 11.091 -3.385 2.019 1.00 0.00 O ATOM 956 OE2 GLU A 111 11.196 -2.808 4.168 1.00 0.00 O ATOM 0 H GLU A 111 9.117 0.540 0.716 1.00 0.00 H new ATOM 0 HA GLU A 111 9.949 1.204 3.337 1.00 0.00 H new ATOM 0 HB2 GLU A 111 11.215 -0.420 1.111 1.00 0.00 H new ATOM 0 HB3 GLU A 111 11.925 -0.265 2.706 1.00 0.00 H new ATOM 0 HG2 GLU A 111 9.550 -1.009 3.579 1.00 0.00 H new ATOM 0 HG3 GLU A 111 9.291 -1.561 1.937 1.00 0.00 H new ATOM 963 N GLU A 112 11.625 2.525 0.837 1.00 0.00 N ATOM 964 CA GLU A 112 12.561 3.577 0.484 1.00 0.00 C ATOM 965 C GLU A 112 12.137 4.903 1.122 1.00 0.00 C ATOM 966 O GLU A 112 12.982 5.703 1.521 1.00 0.00 O ATOM 967 CB GLU A 112 12.685 3.716 -1.035 1.00 0.00 C ATOM 968 CG GLU A 112 13.614 2.645 -1.610 1.00 0.00 C ATOM 969 CD GLU A 112 15.074 2.948 -1.269 1.00 0.00 C ATOM 970 OE1 GLU A 112 15.622 3.881 -1.896 1.00 0.00 O ATOM 971 OE2 GLU A 112 15.611 2.239 -0.391 1.00 0.00 O ATOM 0 H GLU A 112 11.214 2.035 0.042 1.00 0.00 H new ATOM 0 HA GLU A 112 13.543 3.306 0.873 1.00 0.00 H new ATOM 0 HB2 GLU A 112 11.700 3.632 -1.493 1.00 0.00 H new ATOM 0 HB3 GLU A 112 13.068 4.706 -1.283 1.00 0.00 H new ATOM 0 HG2 GLU A 112 13.339 1.668 -1.213 1.00 0.00 H new ATOM 0 HG3 GLU A 112 13.492 2.595 -2.692 1.00 0.00 H new ATOM 978 N ALA A 113 10.828 5.093 1.198 1.00 0.00 N ATOM 979 CA ALA A 113 10.281 6.317 1.756 1.00 0.00 C ATOM 980 C ALA A 113 10.291 6.225 3.284 1.00 0.00 C ATOM 981 O ALA A 113 10.446 7.235 3.970 1.00 0.00 O ATOM 982 CB ALA A 113 8.877 6.552 1.197 1.00 0.00 C ATOM 0 H ALA A 113 10.130 4.419 0.882 1.00 0.00 H new ATOM 0 HA ALA A 113 10.892 7.174 1.472 1.00 0.00 H new ATOM 0 HB1 ALA A 113 8.467 7.471 1.617 1.00 0.00 H new ATOM 0 HB2 ALA A 113 8.927 6.640 0.112 1.00 0.00 H new ATOM 0 HB3 ALA A 113 8.234 5.713 1.464 1.00 0.00 H new ATOM 988 N GLY A 114 10.125 5.005 3.773 1.00 0.00 N ATOM 989 CA GLY A 114 10.136 4.764 5.205 1.00 0.00 C ATOM 990 C GLY A 114 8.715 4.589 5.743 1.00 0.00 C ATOM 991 O GLY A 114 8.284 5.333 6.622 1.00 0.00 O ATOM 0 H GLY A 114 9.982 4.172 3.202 1.00 0.00 H new ATOM 0 HA2 GLY A 114 10.723 3.872 5.423 1.00 0.00 H new ATOM 0 HA3 GLY A 114 10.621 5.597 5.714 1.00 0.00 H new ATOM 995 N ALA A 115 8.025 3.601 5.191 1.00 0.00 N ATOM 996 CA ALA A 115 6.673 3.297 5.629 1.00 0.00 C ATOM 997 C ALA A 115 6.563 1.801 5.927 1.00 0.00 C ATOM 998 O ALA A 115 7.342 1.002 5.412 1.00 0.00 O ATOM 999 CB ALA A 115 5.677 3.754 4.561 1.00 0.00 C ATOM 0 H ALA A 115 8.377 3.001 4.445 1.00 0.00 H new ATOM 0 HA ALA A 115 6.436 3.834 6.547 1.00 0.00 H new ATOM 0 HB1 ALA A 115 4.663 3.526 4.888 1.00 0.00 H new ATOM 0 HB2 ALA A 115 5.776 4.828 4.407 1.00 0.00 H new ATOM 0 HB3 ALA A 115 5.882 3.233 3.626 1.00 0.00 H new ATOM 1005 N GLU A 116 5.586 1.467 6.758 1.00 0.00 N ATOM 1006 CA GLU A 116 5.377 0.083 7.150 1.00 0.00 C ATOM 1007 C GLU A 116 4.171 -0.502 6.410 1.00 0.00 C ATOM 1008 O GLU A 116 3.056 0.003 6.537 1.00 0.00 O ATOM 1009 CB GLU A 116 5.202 -0.037 8.666 1.00 0.00 C ATOM 1010 CG GLU A 116 5.065 -1.502 9.086 1.00 0.00 C ATOM 1011 CD GLU A 116 6.334 -2.289 8.750 1.00 0.00 C ATOM 1012 OE1 GLU A 116 7.426 -1.755 9.039 1.00 0.00 O ATOM 1013 OE2 GLU A 116 6.181 -3.408 8.213 1.00 0.00 O ATOM 0 H GLU A 116 4.931 2.131 7.171 1.00 0.00 H new ATOM 0 HA GLU A 116 6.262 -0.491 6.873 1.00 0.00 H new ATOM 0 HB2 GLU A 116 6.057 0.412 9.171 1.00 0.00 H new ATOM 0 HB3 GLU A 116 4.319 0.519 8.979 1.00 0.00 H new ATOM 0 HG2 GLU A 116 4.869 -1.560 10.157 1.00 0.00 H new ATOM 0 HG3 GLU A 116 4.210 -1.951 8.581 1.00 0.00 H new ATOM 1020 N VAL A 117 4.437 -1.556 5.655 1.00 0.00 N ATOM 1021 CA VAL A 117 3.382 -2.233 4.918 1.00 0.00 C ATOM 1022 C VAL A 117 3.301 -3.691 5.375 1.00 0.00 C ATOM 1023 O VAL A 117 4.290 -4.256 5.842 1.00 0.00 O ATOM 1024 CB VAL A 117 3.622 -2.091 3.414 1.00 0.00 C ATOM 1025 CG1 VAL A 117 3.088 -3.308 2.657 1.00 0.00 C ATOM 1026 CG2 VAL A 117 3.002 -0.798 2.880 1.00 0.00 C ATOM 0 H VAL A 117 5.367 -1.959 5.537 1.00 0.00 H new ATOM 0 HA VAL A 117 2.416 -1.773 5.125 1.00 0.00 H new ATOM 0 HB VAL A 117 4.698 -2.040 3.249 1.00 0.00 H new ATOM 0 HG11 VAL A 117 3.271 -3.182 1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 117 3.595 -4.206 3.009 1.00 0.00 H new ATOM 0 HG13 VAL A 117 2.016 -3.404 2.832 1.00 0.00 H new ATOM 0 HG21 VAL A 117 3.187 -0.721 1.809 1.00 0.00 H new ATOM 0 HG22 VAL A 117 1.928 -0.807 3.063 1.00 0.00 H new ATOM 0 HG23 VAL A 117 3.449 0.057 3.387 1.00 0.00 H new ATOM 1036 N GLU A 118 2.114 -4.259 5.226 1.00 0.00 N ATOM 1037 CA GLU A 118 1.899 -5.650 5.587 1.00 0.00 C ATOM 1038 C GLU A 118 1.467 -6.457 4.360 1.00 0.00 C ATOM 1039 O GLU A 118 0.584 -6.035 3.615 1.00 0.00 O ATOM 1040 CB GLU A 118 0.870 -5.772 6.712 1.00 0.00 C ATOM 1041 CG GLU A 118 0.564 -7.240 7.017 1.00 0.00 C ATOM 1042 CD GLU A 118 -0.356 -7.367 8.233 1.00 0.00 C ATOM 1043 OE1 GLU A 118 -0.057 -6.692 9.243 1.00 0.00 O ATOM 1044 OE2 GLU A 118 -1.337 -8.135 8.127 1.00 0.00 O ATOM 0 H GLU A 118 1.290 -3.781 4.860 1.00 0.00 H new ATOM 0 HA GLU A 118 2.841 -6.059 5.954 1.00 0.00 H new ATOM 0 HB2 GLU A 118 1.247 -5.281 7.609 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -0.048 -5.257 6.428 1.00 0.00 H new ATOM 0 HG2 GLU A 118 0.094 -7.705 6.150 1.00 0.00 H new ATOM 0 HG3 GLU A 118 1.494 -7.778 7.202 1.00 0.00 H new ATOM 1051 N VAL A 119 2.112 -7.601 4.186 1.00 0.00 N ATOM 1052 CA VAL A 119 1.785 -8.483 3.079 1.00 0.00 C ATOM 1053 C VAL A 119 0.997 -9.685 3.606 1.00 0.00 C ATOM 1054 O VAL A 119 1.435 -10.358 4.537 1.00 0.00 O ATOM 1055 CB VAL A 119 3.060 -8.884 2.335 1.00 0.00 C ATOM 1056 CG1 VAL A 119 2.740 -9.801 1.152 1.00 0.00 C ATOM 1057 CG2 VAL A 119 3.838 -7.650 1.877 1.00 0.00 C ATOM 0 H VAL A 119 2.859 -7.937 4.793 1.00 0.00 H new ATOM 0 HA VAL A 119 1.151 -7.970 2.356 1.00 0.00 H new ATOM 0 HB VAL A 119 3.691 -9.440 3.028 1.00 0.00 H new ATOM 0 HG11 VAL A 119 3.664 -10.071 0.641 1.00 0.00 H new ATOM 0 HG12 VAL A 119 2.249 -10.704 1.514 1.00 0.00 H new ATOM 0 HG13 VAL A 119 2.079 -9.282 0.458 1.00 0.00 H new ATOM 0 HG21 VAL A 119 4.740 -7.963 1.351 1.00 0.00 H new ATOM 0 HG22 VAL A 119 3.216 -7.055 1.208 1.00 0.00 H new ATOM 0 HG23 VAL A 119 4.114 -7.051 2.745 1.00 0.00 H new ATOM 1067 N LYS A 120 -0.151 -9.917 2.987 1.00 0.00 N ATOM 1068 CA LYS A 120 -1.015 -11.011 3.398 1.00 0.00 C ATOM 1069 C LYS A 120 -1.689 -11.612 2.163 1.00 0.00 C ATOM 1070 O LYS A 120 -1.598 -11.058 1.069 1.00 0.00 O ATOM 1071 CB LYS A 120 -2.000 -10.542 4.471 1.00 0.00 C ATOM 1072 CG LYS A 120 -2.196 -11.619 5.542 1.00 0.00 C ATOM 1073 CD LYS A 120 -1.949 -11.051 6.940 1.00 0.00 C ATOM 1074 CE LYS A 120 -2.088 -12.139 8.006 1.00 0.00 C ATOM 1075 NZ LYS A 120 -3.476 -12.188 8.520 1.00 0.00 N ATOM 1076 OXT LYS A 120 -2.337 -12.709 2.376 1.00 0.00 O ATOM 0 H LYS A 120 -0.503 -9.366 2.204 1.00 0.00 H new ATOM 0 HA LYS A 120 -0.431 -11.806 3.862 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -1.631 -9.627 4.934 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -2.959 -10.303 4.011 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -3.209 -12.018 5.481 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -1.515 -12.449 5.357 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -0.951 -10.615 6.988 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -2.658 -10.248 7.141 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -1.816 -13.106 7.584 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -1.397 -11.943 8.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -3.553 -12.932 9.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -3.723 -11.270 8.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -4.129 -12.397 7.738 1.00 0.00 H new