USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 804 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 Set 1.1: A 17 ASN : amide:sc= -0.404 K(o=0.66,f=-0.31) USER MOD Set 1.2: A 71 LYS NZ :NH3+ 175:sc= 1.06 (180deg=1.03) USER MOD Set 2.1: A 52 THR OG1 : rot 171:sc= 0.0172 USER MOD Set 2.2: A 55 CYS SG : rot 81:sc= 0.444 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.0482 K(o=-0.048,f=-0.64) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 47:sc= 1.26 USER MOD Single : A 34 TYR OH : rot 180:sc= -0.318 USER MOD Single : A 37 GLN : amide:sc= -0.0172 K(o=-0.017,f=-0.93) USER MOD Single : A 41 GLN : amide:sc= -0.619 K(o=-0.62,f=-0.075) USER MOD Single : A 42 ASN : amide:sc= -0.38 K(o=-0.38,f=-4.9!) USER MOD Single : A 43 ASN : amide:sc= -0.21 X(o=-0.21,f=-0.53) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -122:sc= -0.0543 (180deg=-0.817) USER MOD Single : A 49 THR OG1 : rot 87:sc= 1.21 USER MOD Single : A 50 MET CE :methyl 156:sc= -0.211 (180deg=-0.862) USER MOD Single : A 51 THR OG1 : rot 65:sc= 0.203 USER MOD Single : A 54 MET CE :methyl 164:sc= -0.0445 (180deg=-0.309) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0.00631 X(o=0.0063,f=-0.064) USER MOD Single : A 77 ASN : amide:sc=-0.00837 X(o=-0.0084,f=-0.00098) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 82:sc= 1.25 USER MOD Single : A 93 MET CE :methyl -174:sc= 0 (180deg=-0.0499) USER MOD Single : A 94 SER OG : rot 180:sc= 0.0611 USER MOD Single : A 100 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.228) USER MOD ----------------------------------------------------------------- ATOM 51 N LYS A 5 17.756 0.504 -9.872 1.00 0.00 N ATOM 52 CA LYS A 5 17.186 1.383 -8.866 1.00 0.00 C ATOM 53 C LYS A 5 15.655 1.403 -8.951 1.00 0.00 C ATOM 54 O LYS A 5 15.067 1.729 -9.976 1.00 0.00 O ATOM 55 CB LYS A 5 17.878 2.737 -8.955 1.00 0.00 C ATOM 56 CG LYS A 5 16.968 3.881 -8.493 1.00 0.00 C ATOM 57 CD LYS A 5 17.698 5.213 -8.305 1.00 0.00 C ATOM 58 CE LYS A 5 17.114 5.925 -7.074 1.00 0.00 C ATOM 59 NZ LYS A 5 18.175 6.347 -6.141 1.00 0.00 N ATOM 0 HA LYS A 5 17.375 1.012 -7.859 1.00 0.00 H new ATOM 0 HB2 LYS A 5 18.781 2.723 -8.344 1.00 0.00 H new ATOM 0 HB3 LYS A 5 18.192 2.916 -9.983 1.00 0.00 H new ATOM 0 HG2 LYS A 5 16.169 4.015 -9.223 1.00 0.00 H new ATOM 0 HG3 LYS A 5 16.496 3.600 -7.552 1.00 0.00 H new ATOM 0 HD2 LYS A 5 18.766 5.043 -8.172 1.00 0.00 H new ATOM 0 HD3 LYS A 5 17.583 5.836 -9.192 1.00 0.00 H new ATOM 0 HE2 LYS A 5 16.541 6.796 -7.393 1.00 0.00 H new ATOM 0 HE3 LYS A 5 16.421 5.258 -6.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 17.747 6.824 -5.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 18.705 5.513 -5.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 18.822 7.002 -6.624 1.00 0.00 H new ATOM 73 N VAL A 6 15.008 1.080 -7.842 1.00 0.00 N ATOM 74 CA VAL A 6 13.571 1.232 -7.657 1.00 0.00 C ATOM 75 C VAL A 6 13.320 2.570 -6.955 1.00 0.00 C ATOM 76 O VAL A 6 14.217 3.110 -6.305 1.00 0.00 O ATOM 77 CB VAL A 6 13.061 0.004 -6.877 1.00 0.00 C ATOM 78 CG1 VAL A 6 11.557 0.072 -6.565 1.00 0.00 C ATOM 79 CG2 VAL A 6 13.354 -1.250 -7.702 1.00 0.00 C ATOM 0 H VAL A 6 15.479 0.695 -7.024 1.00 0.00 H new ATOM 0 HA VAL A 6 13.019 1.263 -8.597 1.00 0.00 H new ATOM 0 HB VAL A 6 13.580 -0.020 -5.919 1.00 0.00 H new ATOM 0 HG11 VAL A 6 11.259 -0.821 -6.015 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.350 0.956 -5.962 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.994 0.129 -7.497 1.00 0.00 H new ATOM 0 HG21 VAL A 6 13.000 -2.130 -7.165 1.00 0.00 H new ATOM 0 HG22 VAL A 6 12.843 -1.181 -8.663 1.00 0.00 H new ATOM 0 HG23 VAL A 6 14.428 -1.334 -7.867 1.00 0.00 H new ATOM 89 N THR A 7 12.101 3.103 -7.052 1.00 0.00 N ATOM 90 CA THR A 7 11.727 4.355 -6.414 1.00 0.00 C ATOM 91 C THR A 7 10.339 4.230 -5.813 1.00 0.00 C ATOM 92 O THR A 7 9.578 3.308 -6.094 1.00 0.00 O ATOM 93 CB THR A 7 11.758 5.502 -7.447 1.00 0.00 C ATOM 94 OG1 THR A 7 10.746 5.307 -8.416 1.00 0.00 O ATOM 95 CG2 THR A 7 13.105 5.645 -8.149 1.00 0.00 C ATOM 0 H THR A 7 11.344 2.670 -7.581 1.00 0.00 H new ATOM 0 HA THR A 7 12.439 4.579 -5.619 1.00 0.00 H new ATOM 0 HB THR A 7 11.585 6.423 -6.890 1.00 0.00 H new ATOM 0 HG1 THR A 7 10.771 6.039 -9.067 1.00 0.00 H new ATOM 0 HG21 THR A 7 13.058 6.469 -8.861 1.00 0.00 H new ATOM 0 HG22 THR A 7 13.881 5.848 -7.410 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.340 4.721 -8.677 1.00 0.00 H new ATOM 103 N LYS A 8 9.992 5.213 -4.995 1.00 0.00 N ATOM 104 CA LYS A 8 8.713 5.358 -4.335 1.00 0.00 C ATOM 105 C LYS A 8 7.611 5.566 -5.361 1.00 0.00 C ATOM 106 O LYS A 8 6.484 5.130 -5.152 1.00 0.00 O ATOM 107 CB LYS A 8 8.803 6.504 -3.313 1.00 0.00 C ATOM 108 CG LYS A 8 9.520 7.774 -3.792 1.00 0.00 C ATOM 109 CD LYS A 8 9.665 8.852 -2.705 1.00 0.00 C ATOM 110 CE LYS A 8 8.348 9.514 -2.269 1.00 0.00 C ATOM 111 NZ LYS A 8 8.036 10.706 -3.086 1.00 0.00 N ATOM 0 H LYS A 8 10.635 5.971 -4.765 1.00 0.00 H new ATOM 0 HA LYS A 8 8.460 4.448 -3.791 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.792 6.774 -3.009 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.315 6.134 -2.425 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.511 7.505 -4.158 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.972 8.193 -4.636 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.136 8.404 -1.830 1.00 0.00 H new ATOM 0 HD3 LYS A 8 10.340 9.626 -3.069 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.534 8.794 -2.352 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.415 9.800 -1.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.141 11.125 -2.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 8.800 11.404 -2.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.947 10.429 -4.084 1.00 0.00 H new ATOM 125 N GLU A 9 7.941 6.198 -6.488 1.00 0.00 N ATOM 126 CA GLU A 9 7.057 6.323 -7.634 1.00 0.00 C ATOM 127 C GLU A 9 6.632 4.947 -8.135 1.00 0.00 C ATOM 128 O GLU A 9 5.458 4.721 -8.451 1.00 0.00 O ATOM 129 CB GLU A 9 7.787 7.056 -8.771 1.00 0.00 C ATOM 130 CG GLU A 9 7.009 8.283 -9.235 1.00 0.00 C ATOM 131 CD GLU A 9 7.633 9.548 -8.661 1.00 0.00 C ATOM 132 OE1 GLU A 9 8.353 10.275 -9.379 1.00 0.00 O ATOM 133 OE2 GLU A 9 7.396 9.855 -7.471 1.00 0.00 O ATOM 0 H GLU A 9 8.848 6.643 -6.627 1.00 0.00 H new ATOM 0 HA GLU A 9 6.174 6.884 -7.328 1.00 0.00 H new ATOM 0 HB2 GLU A 9 8.778 7.359 -8.433 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.931 6.376 -9.611 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.007 8.331 -10.324 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.969 8.205 -8.918 1.00 0.00 H new ATOM 141 N ASP A 10 7.597 4.034 -8.210 1.00 0.00 N ATOM 142 CA ASP A 10 7.390 2.702 -8.751 1.00 0.00 C ATOM 143 C ASP A 10 6.701 1.853 -7.725 1.00 0.00 C ATOM 144 O ASP A 10 5.863 1.054 -8.063 1.00 0.00 O ATOM 145 CB ASP A 10 8.715 2.034 -9.072 1.00 0.00 C ATOM 146 CG ASP A 10 8.647 0.973 -10.174 1.00 0.00 C ATOM 147 OD1 ASP A 10 7.553 0.480 -10.511 1.00 0.00 O ATOM 148 OD2 ASP A 10 9.710 0.740 -10.808 1.00 0.00 O ATOM 0 H ASP A 10 8.552 4.204 -7.893 1.00 0.00 H new ATOM 0 HA ASP A 10 6.794 2.798 -9.658 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.430 2.801 -9.369 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.102 1.571 -8.164 1.00 0.00 H new ATOM 154 N VAL A 11 7.013 2.030 -6.451 1.00 0.00 N ATOM 155 CA VAL A 11 6.302 1.317 -5.394 1.00 0.00 C ATOM 156 C VAL A 11 4.815 1.698 -5.388 1.00 0.00 C ATOM 157 O VAL A 11 3.979 0.846 -5.104 1.00 0.00 O ATOM 158 CB VAL A 11 7.020 1.580 -4.065 1.00 0.00 C ATOM 159 CG1 VAL A 11 6.295 1.044 -2.822 1.00 0.00 C ATOM 160 CG2 VAL A 11 8.423 0.950 -4.111 1.00 0.00 C ATOM 0 H VAL A 11 7.748 2.656 -6.122 1.00 0.00 H new ATOM 0 HA VAL A 11 6.318 0.241 -5.568 1.00 0.00 H new ATOM 0 HB VAL A 11 7.053 2.665 -3.963 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.879 1.278 -1.931 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.313 1.510 -2.745 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.179 -0.036 -2.906 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.936 1.135 -3.167 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.334 -0.125 -4.271 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.994 1.392 -4.927 1.00 0.00 H new ATOM 170 N LEU A 12 4.457 2.931 -5.763 1.00 0.00 N ATOM 171 CA LEU A 12 3.073 3.362 -5.853 1.00 0.00 C ATOM 172 C LEU A 12 2.463 2.689 -7.071 1.00 0.00 C ATOM 173 O LEU A 12 1.472 1.974 -6.963 1.00 0.00 O ATOM 174 CB LEU A 12 3.018 4.888 -5.985 1.00 0.00 C ATOM 175 CG LEU A 12 3.257 5.613 -4.651 1.00 0.00 C ATOM 176 CD1 LEU A 12 3.771 7.039 -4.901 1.00 0.00 C ATOM 177 CD2 LEU A 12 1.972 5.638 -3.815 1.00 0.00 C ATOM 0 H LEU A 12 5.130 3.656 -6.012 1.00 0.00 H new ATOM 0 HA LEU A 12 2.515 3.085 -4.959 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.766 5.212 -6.708 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.045 5.178 -6.381 1.00 0.00 H new ATOM 0 HG LEU A 12 4.017 5.068 -4.091 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.935 7.539 -3.947 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.709 6.996 -5.454 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.034 7.595 -5.480 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.160 6.155 -2.874 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.190 6.160 -4.366 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.651 4.617 -3.610 1.00 0.00 H new ATOM 189 N ASN A 13 3.082 2.883 -8.233 1.00 0.00 N ATOM 190 CA ASN A 13 2.618 2.341 -9.488 1.00 0.00 C ATOM 191 C ASN A 13 2.551 0.822 -9.453 1.00 0.00 C ATOM 192 O ASN A 13 1.649 0.245 -10.049 1.00 0.00 O ATOM 193 CB ASN A 13 3.620 2.772 -10.564 1.00 0.00 C ATOM 194 CG ASN A 13 3.200 4.013 -11.329 1.00 0.00 C ATOM 195 OD1 ASN A 13 2.023 4.235 -11.595 1.00 0.00 O ATOM 196 ND2 ASN A 13 4.151 4.854 -11.685 1.00 0.00 N ATOM 0 H ASN A 13 3.936 3.434 -8.320 1.00 0.00 H new ATOM 0 HA ASN A 13 1.613 2.710 -9.693 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.587 2.955 -10.095 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.758 1.952 -11.268 1.00 0.00 H new ATOM 0 HD21 ASN A 13 3.914 5.707 -12.191 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.124 4.651 -11.454 1.00 0.00 H new ATOM 203 N ALA A 14 3.492 0.156 -8.786 1.00 0.00 N ATOM 204 CA ALA A 14 3.471 -1.288 -8.653 1.00 0.00 C ATOM 205 C ALA A 14 2.349 -1.681 -7.710 1.00 0.00 C ATOM 206 O ALA A 14 1.663 -2.663 -7.971 1.00 0.00 O ATOM 207 CB ALA A 14 4.805 -1.803 -8.130 1.00 0.00 C ATOM 0 H ALA A 14 4.284 0.605 -8.327 1.00 0.00 H new ATOM 0 HA ALA A 14 3.301 -1.735 -9.633 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.765 -2.888 -8.038 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.599 -1.526 -8.823 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.007 -1.364 -7.153 1.00 0.00 H new ATOM 213 N LEU A 15 2.127 -0.933 -6.630 1.00 0.00 N ATOM 214 CA LEU A 15 1.042 -1.273 -5.732 1.00 0.00 C ATOM 215 C LEU A 15 -0.326 -1.141 -6.403 1.00 0.00 C ATOM 216 O LEU A 15 -1.224 -1.911 -6.062 1.00 0.00 O ATOM 217 CB LEU A 15 1.108 -0.479 -4.427 1.00 0.00 C ATOM 218 CG LEU A 15 2.039 -1.111 -3.374 1.00 0.00 C ATOM 219 CD1 LEU A 15 2.160 -0.151 -2.190 1.00 0.00 C ATOM 220 CD2 LEU A 15 1.542 -2.480 -2.881 1.00 0.00 C ATOM 0 H LEU A 15 2.671 -0.111 -6.366 1.00 0.00 H new ATOM 0 HA LEU A 15 1.170 -2.325 -5.475 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.450 0.533 -4.643 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.104 -0.395 -4.010 1.00 0.00 H new ATOM 0 HG LEU A 15 3.008 -1.280 -3.844 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.816 -0.585 -1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.576 0.797 -2.531 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.174 0.020 -1.758 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.238 -2.875 -2.141 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.557 -2.368 -2.428 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.478 -3.169 -3.723 1.00 0.00 H new ATOM 232 N LYS A 16 -0.468 -0.263 -7.403 1.00 0.00 N ATOM 233 CA LYS A 16 -1.657 -0.102 -8.254 1.00 0.00 C ATOM 234 C LYS A 16 -1.973 -1.352 -9.124 1.00 0.00 C ATOM 235 O LYS A 16 -2.488 -1.209 -10.235 1.00 0.00 O ATOM 236 CB LYS A 16 -1.511 1.158 -9.139 1.00 0.00 C ATOM 237 CG LYS A 16 -1.627 2.480 -8.377 1.00 0.00 C ATOM 238 CD LYS A 16 -1.508 3.673 -9.337 1.00 0.00 C ATOM 239 CE LYS A 16 -2.242 4.901 -8.779 1.00 0.00 C ATOM 240 NZ LYS A 16 -3.188 5.471 -9.763 1.00 0.00 N ATOM 0 H LYS A 16 0.277 0.386 -7.654 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.507 0.018 -7.582 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.544 1.125 -9.641 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.275 1.132 -9.916 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.583 2.521 -7.854 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.846 2.538 -7.619 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.457 3.914 -9.496 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.924 3.406 -10.308 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.783 4.621 -7.875 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.514 5.660 -8.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.664 6.298 -9.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.669 5.762 -10.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.898 4.755 -10.017 1.00 0.00 H new ATOM 254 N ASN A 17 -1.620 -2.576 -8.715 1.00 0.00 N ATOM 255 CA ASN A 17 -2.059 -3.830 -9.322 1.00 0.00 C ATOM 256 C ASN A 17 -2.582 -4.844 -8.314 1.00 0.00 C ATOM 257 O ASN A 17 -3.351 -5.737 -8.689 1.00 0.00 O ATOM 258 CB ASN A 17 -0.969 -4.469 -10.174 1.00 0.00 C ATOM 259 CG ASN A 17 0.318 -4.935 -9.511 1.00 0.00 C ATOM 260 OD1 ASN A 17 0.354 -5.835 -8.682 1.00 0.00 O ATOM 261 ND2 ASN A 17 1.443 -4.475 -10.032 1.00 0.00 N ATOM 0 H ASN A 17 -0.996 -2.722 -7.921 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.893 -3.549 -9.965 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.409 -5.330 -10.676 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.697 -3.753 -10.949 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.338 -4.870 -9.743 1.00 0.00 H new ATOM 0 HD22 ASN A 17 1.416 -3.725 -10.723 1.00 0.00 H new ATOM 268 N VAL A 18 -2.216 -4.700 -7.044 1.00 0.00 N ATOM 269 CA VAL A 18 -2.852 -5.405 -5.940 1.00 0.00 C ATOM 270 C VAL A 18 -4.306 -4.936 -5.831 1.00 0.00 C ATOM 271 O VAL A 18 -4.618 -3.795 -6.178 1.00 0.00 O ATOM 272 CB VAL A 18 -2.011 -5.149 -4.669 1.00 0.00 C ATOM 273 CG1 VAL A 18 -2.755 -5.253 -3.331 1.00 0.00 C ATOM 274 CG2 VAL A 18 -0.874 -6.169 -4.656 1.00 0.00 C ATOM 0 H VAL A 18 -1.459 -4.082 -6.751 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.888 -6.484 -6.093 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.683 -4.112 -4.736 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.063 -5.054 -2.513 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.564 -4.523 -3.307 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.167 -6.256 -3.221 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.259 -6.017 -3.769 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.289 -7.177 -4.641 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.262 -6.043 -5.549 1.00 0.00 H new ATOM 284 N ILE A 19 -5.193 -5.800 -5.341 1.00 0.00 N ATOM 285 CA ILE A 19 -6.533 -5.464 -4.899 1.00 0.00 C ATOM 286 C ILE A 19 -6.740 -6.136 -3.548 1.00 0.00 C ATOM 287 O ILE A 19 -6.442 -7.316 -3.362 1.00 0.00 O ATOM 288 CB ILE A 19 -7.554 -5.936 -5.940 1.00 0.00 C ATOM 289 CG1 ILE A 19 -7.377 -5.192 -7.274 1.00 0.00 C ATOM 290 CG2 ILE A 19 -9.010 -5.843 -5.470 1.00 0.00 C ATOM 291 CD1 ILE A 19 -7.835 -3.727 -7.254 1.00 0.00 C ATOM 0 H ILE A 19 -4.983 -6.793 -5.239 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.667 -4.387 -4.793 1.00 0.00 H new ATOM 0 HB ILE A 19 -7.344 -6.996 -6.087 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.325 -5.226 -7.557 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -7.933 -5.722 -8.047 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.671 -6.195 -6.262 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.146 -6.461 -4.582 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.250 -4.807 -5.231 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.673 -3.282 -8.236 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -8.895 -3.681 -7.005 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -7.262 -3.177 -6.507 1.00 0.00 H new ATOM 303 N ASP A 20 -7.242 -5.365 -2.601 1.00 0.00 N ATOM 304 CA ASP A 20 -7.710 -5.855 -1.317 1.00 0.00 C ATOM 305 C ASP A 20 -9.018 -6.624 -1.541 1.00 0.00 C ATOM 306 O ASP A 20 -9.804 -6.260 -2.411 1.00 0.00 O ATOM 307 CB ASP A 20 -7.875 -4.668 -0.354 1.00 0.00 C ATOM 308 CG ASP A 20 -9.340 -4.311 -0.135 1.00 0.00 C ATOM 309 OD1 ASP A 20 -9.922 -4.893 0.798 1.00 0.00 O ATOM 310 OD2 ASP A 20 -9.892 -3.509 -0.922 1.00 0.00 O ATOM 0 H ASP A 20 -7.338 -4.355 -2.706 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.993 -6.539 -0.863 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.414 -4.911 0.603 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.346 -3.802 -0.752 1.00 0.00 H new ATOM 316 N PHE A 21 -9.276 -7.686 -0.774 1.00 0.00 N ATOM 317 CA PHE A 21 -10.447 -8.542 -1.003 1.00 0.00 C ATOM 318 C PHE A 21 -11.625 -8.236 -0.074 1.00 0.00 C ATOM 319 O PHE A 21 -12.649 -8.930 -0.100 1.00 0.00 O ATOM 320 CB PHE A 21 -10.043 -10.014 -0.891 1.00 0.00 C ATOM 321 CG PHE A 21 -10.315 -10.760 -2.183 1.00 0.00 C ATOM 322 CD1 PHE A 21 -11.634 -11.104 -2.543 1.00 0.00 C ATOM 323 CD2 PHE A 21 -9.268 -11.005 -3.083 1.00 0.00 C ATOM 324 CE1 PHE A 21 -11.894 -11.706 -3.787 1.00 0.00 C ATOM 325 CE2 PHE A 21 -9.523 -11.605 -4.328 1.00 0.00 C ATOM 326 CZ PHE A 21 -10.840 -11.946 -4.683 1.00 0.00 C ATOM 0 H PHE A 21 -8.692 -7.975 0.011 1.00 0.00 H new ATOM 0 HA PHE A 21 -10.799 -8.326 -2.012 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -8.984 -10.085 -0.644 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.593 -10.483 -0.075 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -12.447 -10.905 -1.861 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -8.258 -10.730 -2.817 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -12.903 -11.983 -4.053 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -8.710 -11.804 -5.010 1.00 0.00 H new ATOM 0 HZ PHE A 21 -11.041 -12.393 -5.645 1.00 0.00 H new ATOM 336 N GLU A 22 -11.471 -7.273 0.820 1.00 0.00 N ATOM 337 CA GLU A 22 -12.512 -6.788 1.694 1.00 0.00 C ATOM 338 C GLU A 22 -13.315 -5.764 0.887 1.00 0.00 C ATOM 339 O GLU A 22 -14.445 -6.048 0.484 1.00 0.00 O ATOM 340 CB GLU A 22 -11.808 -6.257 2.954 1.00 0.00 C ATOM 341 CG GLU A 22 -12.688 -6.319 4.200 1.00 0.00 C ATOM 342 CD GLU A 22 -13.877 -5.355 4.222 1.00 0.00 C ATOM 343 OE1 GLU A 22 -15.031 -5.843 4.155 1.00 0.00 O ATOM 344 OE2 GLU A 22 -13.699 -4.156 4.507 1.00 0.00 O ATOM 0 H GLU A 22 -10.581 -6.793 0.957 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.230 -7.532 2.038 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.901 -6.836 3.128 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.500 -5.225 2.784 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.066 -7.336 4.305 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.066 -6.119 5.072 1.00 0.00 H new ATOM 352 N LEU A 23 -12.708 -4.618 0.585 1.00 0.00 N ATOM 353 CA LEU A 23 -13.297 -3.505 -0.150 1.00 0.00 C ATOM 354 C LEU A 23 -13.333 -3.804 -1.654 1.00 0.00 C ATOM 355 O LEU A 23 -14.325 -3.517 -2.327 1.00 0.00 O ATOM 356 CB LEU A 23 -12.464 -2.239 0.147 1.00 0.00 C ATOM 357 CG LEU A 23 -13.250 -0.955 0.412 1.00 0.00 C ATOM 358 CD1 LEU A 23 -14.030 -0.501 -0.820 1.00 0.00 C ATOM 359 CD2 LEU A 23 -14.144 -1.055 1.651 1.00 0.00 C ATOM 0 H LEU A 23 -11.744 -4.433 0.861 1.00 0.00 H new ATOM 0 HA LEU A 23 -14.328 -3.350 0.168 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.835 -2.440 1.014 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -11.797 -2.063 -0.697 1.00 0.00 H new ATOM 0 HG LEU A 23 -12.512 -0.182 0.629 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -14.575 0.415 -0.589 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -13.337 -0.314 -1.641 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -14.736 -1.279 -1.111 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -14.678 -0.115 1.791 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -14.862 -1.864 1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -13.529 -1.257 2.528 1.00 0.00 H new ATOM 371 N GLY A 24 -12.274 -4.398 -2.203 1.00 0.00 N ATOM 372 CA GLY A 24 -12.178 -4.712 -3.620 1.00 0.00 C ATOM 373 C GLY A 24 -11.472 -3.617 -4.413 1.00 0.00 C ATOM 374 O GLY A 24 -11.757 -3.477 -5.608 1.00 0.00 O ATOM 0 H GLY A 24 -11.452 -4.676 -1.667 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.640 -5.652 -3.745 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -13.179 -4.862 -4.025 1.00 0.00 H new ATOM 378 N LEU A 25 -10.601 -2.812 -3.794 1.00 0.00 N ATOM 379 CA LEU A 25 -9.864 -1.752 -4.483 1.00 0.00 C ATOM 380 C LEU A 25 -8.370 -1.854 -4.185 1.00 0.00 C ATOM 381 O LEU A 25 -7.932 -2.696 -3.405 1.00 0.00 O ATOM 382 CB LEU A 25 -10.432 -0.358 -4.135 1.00 0.00 C ATOM 383 CG LEU A 25 -10.900 0.489 -5.334 1.00 0.00 C ATOM 384 CD1 LEU A 25 -9.865 0.631 -6.458 1.00 0.00 C ATOM 385 CD2 LEU A 25 -12.218 -0.037 -5.913 1.00 0.00 C ATOM 0 H LEU A 25 -10.388 -2.879 -2.799 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.993 -1.886 -5.557 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -11.274 -0.488 -3.455 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.668 0.201 -3.594 1.00 0.00 H new ATOM 0 HG LEU A 25 -11.047 1.487 -4.920 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.280 1.242 -7.259 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.966 1.107 -6.067 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.613 -0.355 -6.847 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.518 0.584 -6.757 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -12.083 -1.065 -6.249 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.991 -0.005 -5.145 1.00 0.00 H new ATOM 397 N ASP A 26 -7.560 -1.021 -4.837 1.00 0.00 N ATOM 398 CA ASP A 26 -6.117 -1.041 -4.656 1.00 0.00 C ATOM 399 C ASP A 26 -5.749 -0.105 -3.502 1.00 0.00 C ATOM 400 O ASP A 26 -6.403 0.910 -3.251 1.00 0.00 O ATOM 401 CB ASP A 26 -5.386 -0.684 -5.962 1.00 0.00 C ATOM 402 CG ASP A 26 -4.784 0.709 -5.970 1.00 0.00 C ATOM 403 OD1 ASP A 26 -5.463 1.673 -6.391 1.00 0.00 O ATOM 404 OD2 ASP A 26 -3.630 0.822 -5.520 1.00 0.00 O ATOM 0 H ASP A 26 -7.887 -0.319 -5.501 1.00 0.00 H new ATOM 0 HA ASP A 26 -5.792 -2.049 -4.398 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.594 -1.412 -6.134 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.085 -0.772 -6.794 1.00 0.00 H new ATOM 410 N VAL A 27 -4.671 -0.430 -2.801 1.00 0.00 N ATOM 411 CA VAL A 27 -4.134 0.283 -1.666 1.00 0.00 C ATOM 412 C VAL A 27 -3.823 1.762 -1.939 1.00 0.00 C ATOM 413 O VAL A 27 -3.979 2.601 -1.054 1.00 0.00 O ATOM 414 CB VAL A 27 -2.891 -0.492 -1.213 1.00 0.00 C ATOM 415 CG1 VAL A 27 -3.258 -1.933 -0.802 1.00 0.00 C ATOM 416 CG2 VAL A 27 -1.786 -0.584 -2.265 1.00 0.00 C ATOM 0 H VAL A 27 -4.117 -1.255 -3.031 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.888 0.326 -0.880 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.508 0.083 -0.370 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.359 -2.461 -0.485 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.972 -1.906 0.021 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.703 -2.452 -1.651 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.945 -1.148 -1.861 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.169 -1.089 -3.152 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.454 0.419 -2.533 1.00 0.00 H new ATOM 426 N VAL A 28 -3.364 2.107 -3.141 1.00 0.00 N ATOM 427 CA VAL A 28 -3.087 3.476 -3.529 1.00 0.00 C ATOM 428 C VAL A 28 -4.428 4.217 -3.681 1.00 0.00 C ATOM 429 O VAL A 28 -4.506 5.386 -3.301 1.00 0.00 O ATOM 430 CB VAL A 28 -2.169 3.493 -4.783 1.00 0.00 C ATOM 431 CG1 VAL A 28 -1.841 4.929 -5.220 1.00 0.00 C ATOM 432 CG2 VAL A 28 -0.843 2.775 -4.483 1.00 0.00 C ATOM 0 H VAL A 28 -3.174 1.428 -3.878 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.524 4.016 -2.767 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.709 2.985 -5.582 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.197 4.904 -6.099 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.764 5.456 -5.461 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.328 5.448 -4.410 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.210 2.795 -5.370 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.333 3.280 -3.662 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.044 1.741 -4.204 1.00 0.00 H new ATOM 442 N SER A 29 -5.506 3.567 -4.137 1.00 0.00 N ATOM 443 CA SER A 29 -6.851 4.165 -4.135 1.00 0.00 C ATOM 444 C SER A 29 -7.348 4.377 -2.707 1.00 0.00 C ATOM 445 O SER A 29 -7.807 5.465 -2.365 1.00 0.00 O ATOM 446 CB SER A 29 -7.872 3.318 -4.892 1.00 0.00 C ATOM 447 OG SER A 29 -7.545 3.205 -6.264 1.00 0.00 O ATOM 0 H SER A 29 -5.474 2.620 -4.515 1.00 0.00 H new ATOM 0 HA SER A 29 -6.757 5.123 -4.646 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.922 2.324 -4.447 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.862 3.763 -4.789 1.00 0.00 H new ATOM 0 HG SER A 29 -6.595 2.981 -6.357 1.00 0.00 H new ATOM 453 N LEU A 30 -7.174 3.362 -1.853 1.00 0.00 N ATOM 454 CA LEU A 30 -7.481 3.412 -0.424 1.00 0.00 C ATOM 455 C LEU A 30 -6.660 4.471 0.317 1.00 0.00 C ATOM 456 O LEU A 30 -6.886 4.693 1.508 1.00 0.00 O ATOM 457 CB LEU A 30 -7.265 2.013 0.193 1.00 0.00 C ATOM 458 CG LEU A 30 -8.509 1.122 0.066 1.00 0.00 C ATOM 459 CD1 LEU A 30 -8.208 -0.312 -0.366 1.00 0.00 C ATOM 460 CD2 LEU A 30 -9.272 1.043 1.388 1.00 0.00 C ATOM 0 H LEU A 30 -6.805 2.458 -2.148 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.525 3.705 -0.314 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.422 1.528 -0.298 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.003 2.119 1.246 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.103 1.602 -0.712 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.139 -0.875 -0.432 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -7.719 -0.304 -1.340 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.551 -0.782 0.366 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.147 0.405 1.265 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.623 0.625 2.158 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.590 2.042 1.685 1.00 0.00 H new ATOM 472 N GLY A 31 -5.701 5.129 -0.339 1.00 0.00 N ATOM 473 CA GLY A 31 -4.844 6.104 0.301 1.00 0.00 C ATOM 474 C GLY A 31 -4.132 5.469 1.487 1.00 0.00 C ATOM 475 O GLY A 31 -4.018 6.091 2.544 1.00 0.00 O ATOM 0 H GLY A 31 -5.504 4.993 -1.331 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -4.113 6.483 -0.413 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -5.435 6.957 0.635 1.00 0.00 H new ATOM 479 N LEU A 32 -3.701 4.213 1.359 1.00 0.00 N ATOM 480 CA LEU A 32 -2.753 3.621 2.293 1.00 0.00 C ATOM 481 C LEU A 32 -1.395 4.301 2.046 1.00 0.00 C ATOM 482 O LEU A 32 -1.334 5.358 1.413 1.00 0.00 O ATOM 483 CB LEU A 32 -2.697 2.085 2.123 1.00 0.00 C ATOM 484 CG LEU A 32 -4.048 1.352 2.084 1.00 0.00 C ATOM 485 CD1 LEU A 32 -3.886 -0.170 2.166 1.00 0.00 C ATOM 486 CD2 LEU A 32 -5.027 1.802 3.162 1.00 0.00 C ATOM 0 H LEU A 32 -3.998 3.586 0.611 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.057 3.785 3.327 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.161 1.863 1.200 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.108 1.672 2.942 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.469 1.624 1.116 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.868 -0.643 2.135 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.289 -0.518 1.323 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.386 -0.433 3.098 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.956 1.239 3.068 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.592 1.624 4.146 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.234 2.866 3.044 1.00 0.00 H new ATOM 498 N VAL A 33 -0.300 3.686 2.498 1.00 0.00 N ATOM 499 CA VAL A 33 1.050 3.982 2.013 1.00 0.00 C ATOM 500 C VAL A 33 1.348 5.486 2.250 1.00 0.00 C ATOM 501 O VAL A 33 1.333 6.313 1.336 1.00 0.00 O ATOM 502 CB VAL A 33 1.112 3.526 0.522 1.00 0.00 C ATOM 503 CG1 VAL A 33 2.416 3.848 -0.207 1.00 0.00 C ATOM 504 CG2 VAL A 33 0.854 2.023 0.343 1.00 0.00 C ATOM 0 H VAL A 33 -0.325 2.963 3.217 1.00 0.00 H new ATOM 0 HA VAL A 33 1.832 3.443 2.548 1.00 0.00 H new ATOM 0 HB VAL A 33 0.312 4.116 0.074 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.356 3.490 -1.235 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.576 4.926 -0.207 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.247 3.358 0.300 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.910 1.768 -0.715 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.605 1.457 0.894 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.137 1.776 0.723 1.00 0.00 H new ATOM 514 N TYR A 34 1.496 5.866 3.519 1.00 0.00 N ATOM 515 CA TYR A 34 1.789 7.215 3.986 1.00 0.00 C ATOM 516 C TYR A 34 3.138 7.686 3.431 1.00 0.00 C ATOM 517 O TYR A 34 3.189 8.591 2.592 1.00 0.00 O ATOM 518 CB TYR A 34 1.821 7.222 5.528 1.00 0.00 C ATOM 519 CG TYR A 34 0.505 7.075 6.271 1.00 0.00 C ATOM 520 CD1 TYR A 34 -0.634 7.826 5.909 1.00 0.00 C ATOM 521 CD2 TYR A 34 0.466 6.253 7.412 1.00 0.00 C ATOM 522 CE1 TYR A 34 -1.790 7.774 6.710 1.00 0.00 C ATOM 523 CE2 TYR A 34 -0.673 6.218 8.232 1.00 0.00 C ATOM 524 CZ TYR A 34 -1.798 6.997 7.893 1.00 0.00 C ATOM 525 OH TYR A 34 -2.868 7.016 8.728 1.00 0.00 O ATOM 0 H TYR A 34 1.409 5.202 4.289 1.00 0.00 H new ATOM 0 HA TYR A 34 1.013 7.895 3.634 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.479 6.415 5.852 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.282 8.157 5.848 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.618 8.439 5.020 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.322 5.642 7.660 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -2.672 8.327 6.422 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -0.687 5.598 9.117 1.00 0.00 H new ATOM 0 HH TYR A 34 -2.699 6.422 9.489 1.00 0.00 H new ATOM 535 N ASP A 35 4.227 7.089 3.918 1.00 0.00 N ATOM 536 CA ASP A 35 5.600 7.492 3.619 1.00 0.00 C ATOM 537 C ASP A 35 6.269 6.364 2.860 1.00 0.00 C ATOM 538 O ASP A 35 5.907 5.207 3.065 1.00 0.00 O ATOM 539 CB ASP A 35 6.395 7.788 4.892 1.00 0.00 C ATOM 540 CG ASP A 35 7.475 8.850 4.659 1.00 0.00 C ATOM 541 OD1 ASP A 35 7.748 9.625 5.607 1.00 0.00 O ATOM 542 OD2 ASP A 35 7.972 9.050 3.524 1.00 0.00 O ATOM 0 H ASP A 35 4.175 6.289 4.549 1.00 0.00 H new ATOM 0 HA ASP A 35 5.576 8.406 3.026 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.715 8.127 5.674 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.860 6.870 5.251 1.00 0.00 H new ATOM 548 N ILE A 36 7.215 6.684 1.986 1.00 0.00 N ATOM 549 CA ILE A 36 7.825 5.748 1.061 1.00 0.00 C ATOM 550 C ILE A 36 9.270 6.216 0.867 1.00 0.00 C ATOM 551 O ILE A 36 9.496 7.250 0.235 1.00 0.00 O ATOM 552 CB ILE A 36 7.043 5.720 -0.281 1.00 0.00 C ATOM 553 CG1 ILE A 36 5.500 5.803 -0.242 1.00 0.00 C ATOM 554 CG2 ILE A 36 7.434 4.433 -1.021 1.00 0.00 C ATOM 555 CD1 ILE A 36 4.951 6.365 -1.551 1.00 0.00 C ATOM 0 H ILE A 36 7.587 7.630 1.902 1.00 0.00 H new ATOM 0 HA ILE A 36 7.803 4.729 1.447 1.00 0.00 H new ATOM 0 HB ILE A 36 7.334 6.648 -0.774 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.083 4.812 -0.064 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.187 6.435 0.589 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.901 4.383 -1.970 1.00 0.00 H new ATOM 0 HG22 ILE A 36 8.508 4.433 -1.208 1.00 0.00 H new ATOM 0 HG23 ILE A 36 7.172 3.569 -0.411 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.863 6.413 -1.498 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.351 7.366 -1.714 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.246 5.718 -2.377 1.00 0.00 H new ATOM 567 N GLN A 37 10.242 5.514 1.440 1.00 0.00 N ATOM 568 CA GLN A 37 11.647 5.869 1.514 1.00 0.00 C ATOM 569 C GLN A 37 12.486 4.754 0.924 1.00 0.00 C ATOM 570 O GLN A 37 12.575 3.670 1.500 1.00 0.00 O ATOM 571 CB GLN A 37 12.013 6.053 2.982 1.00 0.00 C ATOM 572 CG GLN A 37 11.284 7.268 3.552 1.00 0.00 C ATOM 573 CD GLN A 37 10.410 6.868 4.738 1.00 0.00 C ATOM 574 OE1 GLN A 37 9.297 6.392 4.561 1.00 0.00 O ATOM 575 NE2 GLN A 37 10.900 6.959 5.966 1.00 0.00 N ATOM 0 H GLN A 37 10.051 4.621 1.895 1.00 0.00 H new ATOM 0 HA GLN A 37 11.833 6.787 0.956 1.00 0.00 H new ATOM 0 HB2 GLN A 37 11.746 5.160 3.547 1.00 0.00 H new ATOM 0 HB3 GLN A 37 13.090 6.184 3.083 1.00 0.00 H new ATOM 0 HG2 GLN A 37 12.009 8.019 3.866 1.00 0.00 H new ATOM 0 HG3 GLN A 37 10.667 7.724 2.778 1.00 0.00 H new ATOM 0 HE21 GLN A 37 11.828 7.355 6.117 1.00 0.00 H new ATOM 0 HE22 GLN A 37 10.349 6.633 6.760 1.00 0.00 H new ATOM 584 N ILE A 38 13.099 4.999 -0.227 1.00 0.00 N ATOM 585 CA ILE A 38 13.780 3.955 -0.964 1.00 0.00 C ATOM 586 C ILE A 38 15.259 4.243 -0.872 1.00 0.00 C ATOM 587 O ILE A 38 15.726 5.267 -1.381 1.00 0.00 O ATOM 588 CB ILE A 38 13.264 3.873 -2.397 1.00 0.00 C ATOM 589 CG1 ILE A 38 11.736 4.052 -2.451 1.00 0.00 C ATOM 590 CG2 ILE A 38 13.729 2.551 -3.032 1.00 0.00 C ATOM 591 CD1 ILE A 38 10.839 3.026 -1.800 1.00 0.00 C ATOM 0 H ILE A 38 13.136 5.918 -0.668 1.00 0.00 H new ATOM 0 HA ILE A 38 13.584 2.970 -0.540 1.00 0.00 H new ATOM 0 HB ILE A 38 13.683 4.692 -2.982 1.00 0.00 H new ATOM 0 HG12 ILE A 38 11.505 5.018 -2.002 1.00 0.00 H new ATOM 0 HG13 ILE A 38 11.452 4.113 -3.502 1.00 0.00 H new ATOM 0 HG21 ILE A 38 13.361 2.490 -4.056 1.00 0.00 H new ATOM 0 HG22 ILE A 38 14.818 2.512 -3.035 1.00 0.00 H new ATOM 0 HG23 ILE A 38 13.337 1.713 -2.456 1.00 0.00 H new ATOM 0 HD11 ILE A 38 9.797 3.314 -1.937 1.00 0.00 H new ATOM 0 HD12 ILE A 38 11.009 2.051 -2.258 1.00 0.00 H new ATOM 0 HD13 ILE A 38 11.063 2.971 -0.735 1.00 0.00 H new ATOM 603 N ASP A 39 15.973 3.376 -0.164 1.00 0.00 N ATOM 604 CA ASP A 39 17.392 3.574 0.076 1.00 0.00 C ATOM 605 C ASP A 39 18.201 3.277 -1.179 1.00 0.00 C ATOM 606 O ASP A 39 17.694 2.660 -2.121 1.00 0.00 O ATOM 607 CB ASP A 39 17.879 2.702 1.233 1.00 0.00 C ATOM 608 CG ASP A 39 18.777 3.562 2.105 1.00 0.00 C ATOM 609 OD1 ASP A 39 18.198 4.321 2.909 1.00 0.00 O ATOM 610 OD2 ASP A 39 20.009 3.616 1.875 1.00 0.00 O ATOM 0 H ASP A 39 15.589 2.528 0.254 1.00 0.00 H new ATOM 0 HA ASP A 39 17.539 4.620 0.346 1.00 0.00 H new ATOM 0 HB2 ASP A 39 17.035 2.322 1.809 1.00 0.00 H new ATOM 0 HB3 ASP A 39 18.424 1.836 0.858 1.00 0.00 H new ATOM 616 N ASP A 40 19.480 3.642 -1.179 1.00 0.00 N ATOM 617 CA ASP A 40 20.355 3.440 -2.336 1.00 0.00 C ATOM 618 C ASP A 40 20.574 1.943 -2.605 1.00 0.00 C ATOM 619 O ASP A 40 20.707 1.514 -3.749 1.00 0.00 O ATOM 620 CB ASP A 40 21.683 4.173 -2.109 1.00 0.00 C ATOM 621 CG ASP A 40 22.511 4.323 -3.387 1.00 0.00 C ATOM 622 OD1 ASP A 40 21.950 4.287 -4.505 1.00 0.00 O ATOM 623 OD2 ASP A 40 23.734 4.562 -3.281 1.00 0.00 O ATOM 0 H ASP A 40 19.940 4.084 -0.383 1.00 0.00 H new ATOM 0 HA ASP A 40 19.877 3.857 -3.223 1.00 0.00 H new ATOM 0 HB2 ASP A 40 21.480 5.161 -1.697 1.00 0.00 H new ATOM 0 HB3 ASP A 40 22.268 3.631 -1.366 1.00 0.00 H new ATOM 629 N GLN A 41 20.480 1.118 -1.551 1.00 0.00 N ATOM 630 CA GLN A 41 20.525 -0.343 -1.617 1.00 0.00 C ATOM 631 C GLN A 41 19.197 -0.946 -2.093 1.00 0.00 C ATOM 632 O GLN A 41 19.004 -2.160 -1.975 1.00 0.00 O ATOM 633 CB GLN A 41 20.871 -0.931 -0.238 1.00 0.00 C ATOM 634 CG GLN A 41 22.182 -0.443 0.378 1.00 0.00 C ATOM 635 CD GLN A 41 21.956 0.732 1.315 1.00 0.00 C ATOM 636 OE1 GLN A 41 21.593 0.530 2.463 1.00 0.00 O ATOM 637 NE2 GLN A 41 22.113 1.961 0.855 1.00 0.00 N ATOM 0 H GLN A 41 20.367 1.466 -0.599 1.00 0.00 H new ATOM 0 HA GLN A 41 21.297 -0.600 -2.343 1.00 0.00 H new ATOM 0 HB2 GLN A 41 20.058 -0.699 0.450 1.00 0.00 H new ATOM 0 HB3 GLN A 41 20.914 -2.017 -0.326 1.00 0.00 H new ATOM 0 HG2 GLN A 41 22.654 -1.259 0.924 1.00 0.00 H new ATOM 0 HG3 GLN A 41 22.870 -0.150 -0.415 1.00 0.00 H new ATOM 0 HE21 GLN A 41 22.417 2.110 -0.107 1.00 0.00 H new ATOM 0 HE22 GLN A 41 21.930 2.760 1.462 1.00 0.00 H new ATOM 646 N ASN A 42 18.261 -0.114 -2.559 1.00 0.00 N ATOM 647 CA ASN A 42 16.861 -0.428 -2.801 1.00 0.00 C ATOM 648 C ASN A 42 16.274 -1.187 -1.624 1.00 0.00 C ATOM 649 O ASN A 42 15.545 -2.171 -1.793 1.00 0.00 O ATOM 650 CB ASN A 42 16.659 -1.181 -4.109 1.00 0.00 C ATOM 651 CG ASN A 42 17.044 -0.364 -5.315 1.00 0.00 C ATOM 652 OD1 ASN A 42 16.609 0.772 -5.477 1.00 0.00 O ATOM 653 ND2 ASN A 42 17.845 -0.926 -6.193 1.00 0.00 N ATOM 0 H ASN A 42 18.480 0.855 -2.790 1.00 0.00 H new ATOM 0 HA ASN A 42 16.324 0.515 -2.901 1.00 0.00 H new ATOM 0 HB2 ASN A 42 17.250 -2.097 -4.092 1.00 0.00 H new ATOM 0 HB3 ASN A 42 15.614 -1.478 -4.195 1.00 0.00 H new ATOM 0 HD21 ASN A 42 18.119 -0.416 -7.033 1.00 0.00 H new ATOM 0 HD22 ASN A 42 18.193 -1.872 -6.034 1.00 0.00 H new ATOM 660 N ASN A 43 16.570 -0.727 -0.406 1.00 0.00 N ATOM 661 CA ASN A 43 15.663 -1.028 0.677 1.00 0.00 C ATOM 662 C ASN A 43 14.409 -0.243 0.339 1.00 0.00 C ATOM 663 O ASN A 43 14.428 0.984 0.460 1.00 0.00 O ATOM 664 CB ASN A 43 16.167 -0.652 2.078 1.00 0.00 C ATOM 665 CG ASN A 43 17.654 -0.762 2.353 1.00 0.00 C ATOM 666 OD1 ASN A 43 18.239 0.152 2.916 1.00 0.00 O ATOM 667 ND2 ASN A 43 18.311 -1.840 1.965 1.00 0.00 N ATOM 0 H ASN A 43 17.391 -0.173 -0.162 1.00 0.00 H new ATOM 0 HA ASN A 43 15.519 -2.106 0.744 1.00 0.00 H new ATOM 0 HB2 ASN A 43 15.866 0.377 2.276 1.00 0.00 H new ATOM 0 HB3 ASN A 43 15.646 -1.281 2.800 1.00 0.00 H new ATOM 0 HD21 ASN A 43 19.314 -1.914 2.134 1.00 0.00 H new ATOM 0 HD22 ASN A 43 17.815 -2.598 1.496 1.00 0.00 H new ATOM 674 N VAL A 44 13.376 -0.891 -0.186 1.00 0.00 N ATOM 675 CA VAL A 44 12.098 -0.226 -0.334 1.00 0.00 C ATOM 676 C VAL A 44 11.518 -0.182 1.070 1.00 0.00 C ATOM 677 O VAL A 44 11.337 -1.243 1.668 1.00 0.00 O ATOM 678 CB VAL A 44 11.258 -1.024 -1.347 1.00 0.00 C ATOM 679 CG1 VAL A 44 9.774 -0.652 -1.285 1.00 0.00 C ATOM 680 CG2 VAL A 44 11.812 -0.824 -2.772 1.00 0.00 C ATOM 0 H VAL A 44 13.401 -1.858 -0.509 1.00 0.00 H new ATOM 0 HA VAL A 44 12.146 0.789 -0.728 1.00 0.00 H new ATOM 0 HB VAL A 44 11.334 -2.078 -1.080 1.00 0.00 H new ATOM 0 HG11 VAL A 44 9.221 -1.240 -2.017 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.388 -0.859 -0.287 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.655 0.409 -1.507 1.00 0.00 H new ATOM 0 HG21 VAL A 44 11.210 -1.393 -3.480 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.774 0.234 -3.032 1.00 0.00 H new ATOM 0 HG23 VAL A 44 12.845 -1.171 -2.813 1.00 0.00 H new ATOM 690 N LYS A 45 11.264 1.016 1.610 1.00 0.00 N ATOM 691 CA LYS A 45 10.703 1.137 2.947 1.00 0.00 C ATOM 692 C LYS A 45 9.453 1.959 2.829 1.00 0.00 C ATOM 693 O LYS A 45 9.426 2.953 2.102 1.00 0.00 O ATOM 694 CB LYS A 45 11.705 1.730 3.945 1.00 0.00 C ATOM 695 CG LYS A 45 11.225 1.524 5.399 1.00 0.00 C ATOM 696 CD LYS A 45 12.125 2.160 6.462 1.00 0.00 C ATOM 697 CE LYS A 45 11.932 3.679 6.523 1.00 0.00 C ATOM 698 NZ LYS A 45 12.117 4.211 7.889 1.00 0.00 N ATOM 0 H LYS A 45 11.439 1.905 1.141 1.00 0.00 H new ATOM 0 HA LYS A 45 10.465 0.152 3.348 1.00 0.00 H new ATOM 0 HB2 LYS A 45 12.679 1.261 3.810 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.834 2.794 3.748 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.221 1.936 5.498 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.152 0.454 5.596 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.903 1.724 7.436 1.00 0.00 H new ATOM 0 HD3 LYS A 45 13.168 1.933 6.241 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.640 4.161 5.848 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.932 3.931 6.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.977 5.242 7.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.425 3.772 8.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.079 3.995 8.218 1.00 0.00 H new ATOM 712 N VAL A 46 8.407 1.489 3.483 1.00 0.00 N ATOM 713 CA VAL A 46 7.107 2.104 3.394 1.00 0.00 C ATOM 714 C VAL A 46 6.440 2.101 4.763 1.00 0.00 C ATOM 715 O VAL A 46 6.410 1.085 5.460 1.00 0.00 O ATOM 716 CB VAL A 46 6.232 1.395 2.341 1.00 0.00 C ATOM 717 CG1 VAL A 46 5.205 2.412 1.843 1.00 0.00 C ATOM 718 CG2 VAL A 46 6.989 0.823 1.125 1.00 0.00 C ATOM 0 H VAL A 46 8.441 0.670 4.090 1.00 0.00 H new ATOM 0 HA VAL A 46 7.227 3.138 3.071 1.00 0.00 H new ATOM 0 HB VAL A 46 5.789 0.530 2.835 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.565 1.946 1.094 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.595 2.753 2.680 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.721 3.263 1.400 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.281 0.346 0.447 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.503 1.630 0.604 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.719 0.087 1.464 1.00 0.00 H new ATOM 728 N LEU A 47 5.841 3.233 5.116 1.00 0.00 N ATOM 729 CA LEU A 47 4.830 3.339 6.146 1.00 0.00 C ATOM 730 C LEU A 47 3.497 3.150 5.439 1.00 0.00 C ATOM 731 O LEU A 47 3.091 4.042 4.696 1.00 0.00 O ATOM 732 CB LEU A 47 4.884 4.726 6.820 1.00 0.00 C ATOM 733 CG LEU A 47 5.397 4.706 8.261 1.00 0.00 C ATOM 734 CD1 LEU A 47 6.824 4.162 8.368 1.00 0.00 C ATOM 735 CD2 LEU A 47 5.371 6.128 8.820 1.00 0.00 C ATOM 0 H LEU A 47 6.057 4.127 4.675 1.00 0.00 H new ATOM 0 HA LEU A 47 4.981 2.596 6.929 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.524 5.380 6.228 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.885 5.162 6.808 1.00 0.00 H new ATOM 0 HG LEU A 47 4.745 4.044 8.831 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.139 4.170 9.411 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.854 3.141 7.987 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.497 4.788 7.781 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.735 6.122 9.847 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.009 6.770 8.212 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.350 6.508 8.800 1.00 0.00 H new ATOM 747 N MET A 48 2.791 2.044 5.646 1.00 0.00 N ATOM 748 CA MET A 48 1.370 1.949 5.299 1.00 0.00 C ATOM 749 C MET A 48 0.577 1.565 6.539 1.00 0.00 C ATOM 750 O MET A 48 1.113 1.394 7.634 1.00 0.00 O ATOM 751 CB MET A 48 1.104 1.034 4.079 1.00 0.00 C ATOM 752 CG MET A 48 1.935 -0.218 4.007 1.00 0.00 C ATOM 753 SD MET A 48 1.500 -1.464 5.258 1.00 0.00 S ATOM 754 CE MET A 48 0.042 -2.165 4.431 1.00 0.00 C ATOM 0 H MET A 48 3.179 1.194 6.055 1.00 0.00 H new ATOM 0 HA MET A 48 1.023 2.928 4.967 1.00 0.00 H new ATOM 0 HB2 MET A 48 0.052 0.749 4.084 1.00 0.00 H new ATOM 0 HB3 MET A 48 1.273 1.613 3.171 1.00 0.00 H new ATOM 0 HG2 MET A 48 1.825 -0.659 3.016 1.00 0.00 H new ATOM 0 HG3 MET A 48 2.986 0.048 4.123 1.00 0.00 H new ATOM 0 HE1 MET A 48 -0.827 -2.070 5.083 1.00 0.00 H new ATOM 0 HE2 MET A 48 -0.142 -1.628 3.500 1.00 0.00 H new ATOM 0 HE3 MET A 48 0.219 -3.218 4.213 1.00 0.00 H new ATOM 764 N THR A 49 -0.731 1.522 6.379 1.00 0.00 N ATOM 765 CA THR A 49 -1.678 1.123 7.412 1.00 0.00 C ATOM 766 C THR A 49 -2.849 0.451 6.671 1.00 0.00 C ATOM 767 O THR A 49 -2.926 0.556 5.444 1.00 0.00 O ATOM 768 CB THR A 49 -2.008 2.379 8.266 1.00 0.00 C ATOM 769 OG1 THR A 49 -2.838 2.099 9.370 1.00 0.00 O ATOM 770 CG2 THR A 49 -2.652 3.499 7.441 1.00 0.00 C ATOM 0 H THR A 49 -1.183 1.771 5.499 1.00 0.00 H new ATOM 0 HA THR A 49 -1.313 0.394 8.136 1.00 0.00 H new ATOM 0 HB THR A 49 -1.039 2.715 8.636 1.00 0.00 H new ATOM 0 HG1 THR A 49 -2.286 1.832 10.135 1.00 0.00 H new ATOM 0 HG21 THR A 49 -2.862 4.352 8.087 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.970 3.804 6.647 1.00 0.00 H new ATOM 0 HG23 THR A 49 -3.582 3.139 7.002 1.00 0.00 H new ATOM 778 N MET A 50 -3.729 -0.253 7.380 1.00 0.00 N ATOM 779 CA MET A 50 -4.923 -0.915 6.848 1.00 0.00 C ATOM 780 C MET A 50 -6.154 -0.134 7.319 1.00 0.00 C ATOM 781 O MET A 50 -6.039 0.701 8.221 1.00 0.00 O ATOM 782 CB MET A 50 -4.950 -2.381 7.348 1.00 0.00 C ATOM 783 CG MET A 50 -5.429 -3.374 6.285 1.00 0.00 C ATOM 784 SD MET A 50 -4.310 -3.493 4.864 1.00 0.00 S ATOM 785 CE MET A 50 -5.371 -4.455 3.768 1.00 0.00 C ATOM 0 H MET A 50 -3.627 -0.385 8.386 1.00 0.00 H new ATOM 0 HA MET A 50 -4.916 -0.932 5.758 1.00 0.00 H new ATOM 0 HB2 MET A 50 -3.950 -2.664 7.676 1.00 0.00 H new ATOM 0 HB3 MET A 50 -5.602 -2.449 8.219 1.00 0.00 H new ATOM 0 HG2 MET A 50 -5.535 -4.359 6.739 1.00 0.00 H new ATOM 0 HG3 MET A 50 -6.418 -3.075 5.937 1.00 0.00 H new ATOM 0 HE1 MET A 50 -5.076 -4.283 2.733 1.00 0.00 H new ATOM 0 HE2 MET A 50 -5.271 -5.515 4.002 1.00 0.00 H new ATOM 0 HE3 MET A 50 -6.408 -4.150 3.905 1.00 0.00 H new ATOM 795 N THR A 51 -7.342 -0.418 6.772 1.00 0.00 N ATOM 796 CA THR A 51 -8.576 0.187 7.280 1.00 0.00 C ATOM 797 C THR A 51 -8.725 -0.170 8.749 1.00 0.00 C ATOM 798 O THR A 51 -8.846 0.711 9.603 1.00 0.00 O ATOM 799 CB THR A 51 -9.825 -0.147 6.427 1.00 0.00 C ATOM 800 OG1 THR A 51 -10.993 0.455 6.927 1.00 0.00 O ATOM 801 CG2 THR A 51 -10.121 -1.611 6.114 1.00 0.00 C ATOM 0 H THR A 51 -7.473 -1.056 5.987 1.00 0.00 H new ATOM 0 HA THR A 51 -8.498 1.271 7.193 1.00 0.00 H new ATOM 0 HB THR A 51 -9.527 0.283 5.471 1.00 0.00 H new ATOM 0 HG1 THR A 51 -10.911 1.430 6.864 1.00 0.00 H new ATOM 0 HG21 THR A 51 -11.026 -1.678 5.510 1.00 0.00 H new ATOM 0 HG22 THR A 51 -9.285 -2.042 5.564 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.264 -2.160 7.045 1.00 0.00 H new ATOM 809 N THR A 52 -8.652 -1.463 9.057 1.00 0.00 N ATOM 810 CA THR A 52 -8.966 -1.980 10.366 1.00 0.00 C ATOM 811 C THR A 52 -8.021 -3.151 10.665 1.00 0.00 C ATOM 812 O THR A 52 -7.510 -3.796 9.740 1.00 0.00 O ATOM 813 CB THR A 52 -10.446 -2.416 10.359 1.00 0.00 C ATOM 814 OG1 THR A 52 -10.604 -3.492 9.459 1.00 0.00 O ATOM 815 CG2 THR A 52 -11.425 -1.312 9.928 1.00 0.00 C ATOM 0 H THR A 52 -8.369 -2.181 8.390 1.00 0.00 H new ATOM 0 HA THR A 52 -8.829 -1.232 11.147 1.00 0.00 H new ATOM 0 HB THR A 52 -10.683 -2.685 11.388 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.504 -3.869 9.554 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.443 -1.700 9.950 1.00 0.00 H new ATOM 0 HG22 THR A 52 -11.344 -0.467 10.611 1.00 0.00 H new ATOM 0 HG23 THR A 52 -11.183 -0.986 8.917 1.00 0.00 H new ATOM 823 N PRO A 53 -7.808 -3.498 11.944 1.00 0.00 N ATOM 824 CA PRO A 53 -7.259 -4.795 12.306 1.00 0.00 C ATOM 825 C PRO A 53 -8.238 -5.904 11.897 1.00 0.00 C ATOM 826 O PRO A 53 -7.801 -7.007 11.557 1.00 0.00 O ATOM 827 CB PRO A 53 -7.023 -4.724 13.820 1.00 0.00 C ATOM 828 CG PRO A 53 -8.037 -3.685 14.304 1.00 0.00 C ATOM 829 CD PRO A 53 -8.144 -2.724 13.121 1.00 0.00 C ATOM 0 HA PRO A 53 -6.325 -5.029 11.795 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -7.185 -5.692 14.295 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -6.001 -4.423 14.051 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -8.998 -4.141 14.541 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -7.694 -3.177 15.206 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.150 -2.313 13.043 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -7.463 -1.881 13.241 1.00 0.00 H new ATOM 837 N MET A 54 -9.545 -5.611 11.908 1.00 0.00 N ATOM 838 CA MET A 54 -10.667 -6.454 11.510 1.00 0.00 C ATOM 839 C MET A 54 -10.752 -6.563 9.975 1.00 0.00 C ATOM 840 O MET A 54 -11.754 -6.176 9.369 1.00 0.00 O ATOM 841 CB MET A 54 -11.941 -5.841 12.127 1.00 0.00 C ATOM 842 CG MET A 54 -13.208 -6.696 11.952 1.00 0.00 C ATOM 843 SD MET A 54 -14.752 -5.748 11.905 1.00 0.00 S ATOM 844 CE MET A 54 -14.580 -4.861 10.324 1.00 0.00 C ATOM 0 H MET A 54 -9.866 -4.696 12.224 1.00 0.00 H new ATOM 0 HA MET A 54 -10.541 -7.474 11.874 1.00 0.00 H new ATOM 0 HB2 MET A 54 -11.772 -5.678 13.191 1.00 0.00 H new ATOM 0 HB3 MET A 54 -12.113 -4.863 11.678 1.00 0.00 H new ATOM 0 HG2 MET A 54 -13.120 -7.269 11.029 1.00 0.00 H new ATOM 0 HG3 MET A 54 -13.262 -7.415 12.770 1.00 0.00 H new ATOM 0 HE1 MET A 54 -15.550 -4.468 10.020 1.00 0.00 H new ATOM 0 HE2 MET A 54 -13.876 -4.038 10.444 1.00 0.00 H new ATOM 0 HE3 MET A 54 -14.211 -5.546 9.561 1.00 0.00 H new ATOM 854 N CYS A 55 -9.713 -7.097 9.327 1.00 0.00 N ATOM 855 CA CYS A 55 -9.788 -7.525 7.930 1.00 0.00 C ATOM 856 C CYS A 55 -9.941 -9.053 7.897 1.00 0.00 C ATOM 857 O CYS A 55 -9.390 -9.720 8.770 1.00 0.00 O ATOM 858 CB CYS A 55 -8.534 -7.074 7.184 1.00 0.00 C ATOM 859 SG CYS A 55 -8.559 -5.276 6.943 1.00 0.00 S ATOM 0 H CYS A 55 -8.799 -7.244 9.756 1.00 0.00 H new ATOM 0 HA CYS A 55 -10.647 -7.072 7.435 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -7.645 -7.360 7.746 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -8.476 -7.577 6.219 1.00 0.00 H new ATOM 0 HG CYS A 55 -8.154 -4.687 8.029 1.00 0.00 H new ATOM 865 N PRO A 56 -10.632 -9.637 6.906 1.00 0.00 N ATOM 866 CA PRO A 56 -11.184 -10.985 7.021 1.00 0.00 C ATOM 867 C PRO A 56 -10.150 -12.089 6.779 1.00 0.00 C ATOM 868 O PRO A 56 -10.259 -13.201 7.296 1.00 0.00 O ATOM 869 CB PRO A 56 -12.298 -11.036 5.968 1.00 0.00 C ATOM 870 CG PRO A 56 -11.837 -10.050 4.892 1.00 0.00 C ATOM 871 CD PRO A 56 -11.075 -8.989 5.687 1.00 0.00 C ATOM 0 HA PRO A 56 -11.542 -11.170 8.034 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -12.419 -12.041 5.563 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -13.260 -10.745 6.390 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -11.199 -10.533 4.152 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -12.681 -9.619 4.353 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -10.227 -8.610 5.117 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.715 -8.136 5.910 1.00 0.00 H new ATOM 879 N LEU A 57 -9.160 -11.783 5.950 1.00 0.00 N ATOM 880 CA LEU A 57 -8.044 -12.620 5.540 1.00 0.00 C ATOM 881 C LEU A 57 -6.834 -11.686 5.472 1.00 0.00 C ATOM 882 O LEU A 57 -6.124 -11.642 4.475 1.00 0.00 O ATOM 883 CB LEU A 57 -8.347 -13.390 4.223 1.00 0.00 C ATOM 884 CG LEU A 57 -9.323 -12.752 3.210 1.00 0.00 C ATOM 885 CD1 LEU A 57 -8.850 -11.394 2.684 1.00 0.00 C ATOM 886 CD2 LEU A 57 -9.554 -13.692 2.025 1.00 0.00 C ATOM 0 H LEU A 57 -9.115 -10.863 5.511 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.844 -13.424 6.249 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -7.400 -13.559 3.711 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.742 -14.369 4.494 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.253 -12.587 3.754 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -9.582 -11.003 1.977 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -8.742 -10.699 3.517 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -7.889 -11.512 2.183 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -10.244 -13.227 1.321 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.605 -13.889 1.527 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -9.978 -14.630 2.382 1.00 0.00 H new ATOM 898 N ALA A 58 -6.649 -10.880 6.530 1.00 0.00 N ATOM 899 CA ALA A 58 -5.724 -9.751 6.549 1.00 0.00 C ATOM 900 C ALA A 58 -4.348 -10.149 6.001 1.00 0.00 C ATOM 901 O ALA A 58 -3.831 -9.463 5.130 1.00 0.00 O ATOM 902 CB ALA A 58 -5.585 -9.218 7.980 1.00 0.00 C ATOM 0 H ALA A 58 -7.151 -11.003 7.409 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.128 -8.969 5.907 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.894 -8.375 7.989 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -6.560 -8.891 8.343 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.203 -10.008 8.627 1.00 0.00 H new ATOM 908 N GLY A 59 -3.770 -11.253 6.490 1.00 0.00 N ATOM 909 CA GLY A 59 -2.429 -11.705 6.131 1.00 0.00 C ATOM 910 C GLY A 59 -2.249 -11.921 4.634 1.00 0.00 C ATOM 911 O GLY A 59 -1.201 -11.564 4.100 1.00 0.00 O ATOM 0 H GLY A 59 -4.235 -11.866 7.160 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.701 -10.971 6.476 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.214 -12.637 6.654 1.00 0.00 H new ATOM 915 N MET A 60 -3.272 -12.458 3.965 1.00 0.00 N ATOM 916 CA MET A 60 -3.305 -12.627 2.518 1.00 0.00 C ATOM 917 C MET A 60 -3.146 -11.263 1.857 1.00 0.00 C ATOM 918 O MET A 60 -2.237 -11.081 1.054 1.00 0.00 O ATOM 919 CB MET A 60 -4.621 -13.306 2.100 1.00 0.00 C ATOM 920 CG MET A 60 -4.407 -14.654 1.414 1.00 0.00 C ATOM 921 SD MET A 60 -5.960 -15.508 1.021 1.00 0.00 S ATOM 922 CE MET A 60 -5.351 -16.709 -0.193 1.00 0.00 C ATOM 0 H MET A 60 -4.117 -12.793 4.428 1.00 0.00 H new ATOM 0 HA MET A 60 -2.485 -13.268 2.194 1.00 0.00 H new ATOM 0 HB2 MET A 60 -5.246 -13.449 2.982 1.00 0.00 H new ATOM 0 HB3 MET A 60 -5.166 -12.645 1.427 1.00 0.00 H new ATOM 0 HG2 MET A 60 -3.841 -14.501 0.495 1.00 0.00 H new ATOM 0 HG3 MET A 60 -3.802 -15.291 2.059 1.00 0.00 H new ATOM 0 HE1 MET A 60 -6.180 -17.324 -0.544 1.00 0.00 H new ATOM 0 HE2 MET A 60 -4.908 -16.180 -1.037 1.00 0.00 H new ATOM 0 HE3 MET A 60 -4.598 -17.346 0.271 1.00 0.00 H new ATOM 932 N ILE A 61 -3.967 -10.284 2.248 1.00 0.00 N ATOM 933 CA ILE A 61 -3.944 -8.944 1.671 1.00 0.00 C ATOM 934 C ILE A 61 -2.572 -8.291 1.902 1.00 0.00 C ATOM 935 O ILE A 61 -2.025 -7.633 1.013 1.00 0.00 O ATOM 936 CB ILE A 61 -5.100 -8.072 2.222 1.00 0.00 C ATOM 937 CG1 ILE A 61 -6.491 -8.755 2.225 1.00 0.00 C ATOM 938 CG2 ILE A 61 -5.159 -6.803 1.362 1.00 0.00 C ATOM 939 CD1 ILE A 61 -7.568 -7.954 2.980 1.00 0.00 C ATOM 0 H ILE A 61 -4.669 -10.403 2.978 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.100 -9.027 0.595 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.882 -7.870 3.271 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.816 -8.904 1.195 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.401 -9.743 2.677 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.963 -6.159 1.718 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.210 -6.271 1.433 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.346 -7.076 0.323 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.515 -8.492 2.941 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.265 -7.827 4.019 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.687 -6.975 2.515 1.00 0.00 H new ATOM 951 N LEU A 62 -2.002 -8.449 3.099 1.00 0.00 N ATOM 952 CA LEU A 62 -0.698 -7.883 3.443 1.00 0.00 C ATOM 953 C LEU A 62 0.411 -8.572 2.634 1.00 0.00 C ATOM 954 O LEU A 62 1.397 -7.929 2.264 1.00 0.00 O ATOM 955 CB LEU A 62 -0.436 -8.016 4.954 1.00 0.00 C ATOM 956 CG LEU A 62 -1.446 -7.296 5.874 1.00 0.00 C ATOM 957 CD1 LEU A 62 -1.206 -7.713 7.330 1.00 0.00 C ATOM 958 CD2 LEU A 62 -1.421 -5.773 5.753 1.00 0.00 C ATOM 0 H LEU A 62 -2.434 -8.975 3.858 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.699 -6.823 3.190 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.429 -9.075 5.211 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.561 -7.630 5.167 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.438 -7.606 5.545 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.920 -7.203 7.977 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.335 -8.791 7.426 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.192 -7.441 7.624 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.158 -5.342 6.430 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.429 -5.404 6.013 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.658 -5.485 4.729 1.00 0.00 H new ATOM 970 N SER A 63 0.281 -9.875 2.371 1.00 0.00 N ATOM 971 CA SER A 63 1.212 -10.653 1.561 1.00 0.00 C ATOM 972 C SER A 63 1.100 -10.217 0.097 1.00 0.00 C ATOM 973 O SER A 63 2.117 -10.085 -0.574 1.00 0.00 O ATOM 974 CB SER A 63 0.928 -12.150 1.749 1.00 0.00 C ATOM 975 OG SER A 63 1.991 -12.951 1.265 1.00 0.00 O ATOM 0 H SER A 63 -0.497 -10.430 2.727 1.00 0.00 H new ATOM 0 HA SER A 63 2.239 -10.473 1.880 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.767 -12.360 2.806 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.008 -12.414 1.228 1.00 0.00 H new ATOM 0 HG SER A 63 1.776 -13.897 1.403 1.00 0.00 H new ATOM 981 N ASP A 64 -0.106 -9.909 -0.387 1.00 0.00 N ATOM 982 CA ASP A 64 -0.334 -9.376 -1.730 1.00 0.00 C ATOM 983 C ASP A 64 0.415 -8.061 -1.888 1.00 0.00 C ATOM 984 O ASP A 64 1.073 -7.828 -2.901 1.00 0.00 O ATOM 985 CB ASP A 64 -1.833 -9.186 -2.016 1.00 0.00 C ATOM 986 CG ASP A 64 -2.281 -10.166 -3.095 1.00 0.00 C ATOM 987 OD1 ASP A 64 -2.965 -11.147 -2.718 1.00 0.00 O ATOM 988 OD2 ASP A 64 -1.906 -9.976 -4.284 1.00 0.00 O ATOM 0 H ASP A 64 -0.964 -10.025 0.153 1.00 0.00 H new ATOM 0 HA ASP A 64 0.043 -10.096 -2.456 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.410 -9.346 -1.105 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.024 -8.163 -2.339 1.00 0.00 H new ATOM 994 N ALA A 65 0.329 -7.193 -0.875 1.00 0.00 N ATOM 995 CA ALA A 65 1.088 -5.952 -0.828 1.00 0.00 C ATOM 996 C ALA A 65 2.580 -6.245 -1.023 1.00 0.00 C ATOM 997 O ALA A 65 3.209 -5.680 -1.918 1.00 0.00 O ATOM 998 CB ALA A 65 0.807 -5.213 0.487 1.00 0.00 C ATOM 0 H ALA A 65 -0.273 -7.338 -0.064 1.00 0.00 H new ATOM 0 HA ALA A 65 0.775 -5.297 -1.641 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.379 -4.286 0.513 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.257 -4.985 0.556 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.098 -5.843 1.328 1.00 0.00 H new ATOM 1004 N GLU A 66 3.132 -7.171 -0.235 1.00 0.00 N ATOM 1005 CA GLU A 66 4.496 -7.633 -0.381 1.00 0.00 C ATOM 1006 C GLU A 66 4.766 -8.136 -1.809 1.00 0.00 C ATOM 1007 O GLU A 66 5.857 -7.917 -2.318 1.00 0.00 O ATOM 1008 CB GLU A 66 4.742 -8.740 0.648 1.00 0.00 C ATOM 1009 CG GLU A 66 6.222 -8.878 0.996 1.00 0.00 C ATOM 1010 CD GLU A 66 6.502 -10.284 1.525 1.00 0.00 C ATOM 1011 OE1 GLU A 66 7.408 -10.988 1.042 1.00 0.00 O ATOM 1012 OE2 GLU A 66 5.782 -10.722 2.451 1.00 0.00 O ATOM 0 H GLU A 66 2.629 -7.621 0.530 1.00 0.00 H new ATOM 0 HA GLU A 66 5.183 -6.805 -0.205 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.175 -8.526 1.554 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.372 -9.688 0.257 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.832 -8.684 0.114 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.499 -8.136 1.745 1.00 0.00 H new ATOM 1020 N GLU A 67 3.805 -8.790 -2.464 1.00 0.00 N ATOM 1021 CA GLU A 67 3.922 -9.376 -3.797 1.00 0.00 C ATOM 1022 C GLU A 67 4.110 -8.286 -4.861 1.00 0.00 C ATOM 1023 O GLU A 67 4.969 -8.420 -5.729 1.00 0.00 O ATOM 1024 CB GLU A 67 2.723 -10.337 -4.053 1.00 0.00 C ATOM 1025 CG GLU A 67 1.717 -10.003 -5.173 1.00 0.00 C ATOM 1026 CD GLU A 67 2.052 -10.561 -6.560 1.00 0.00 C ATOM 1027 OE1 GLU A 67 1.201 -10.420 -7.477 1.00 0.00 O ATOM 1028 OE2 GLU A 67 3.118 -11.183 -6.769 1.00 0.00 O ATOM 0 H GLU A 67 2.880 -8.931 -2.058 1.00 0.00 H new ATOM 0 HA GLU A 67 4.822 -9.988 -3.865 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.133 -11.324 -4.264 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.162 -10.417 -3.122 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.737 -10.378 -4.879 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.634 -8.919 -5.249 1.00 0.00 H new ATOM 1036 N ALA A 68 3.356 -7.183 -4.784 1.00 0.00 N ATOM 1037 CA ALA A 68 3.470 -6.093 -5.755 1.00 0.00 C ATOM 1038 C ALA A 68 4.736 -5.293 -5.492 1.00 0.00 C ATOM 1039 O ALA A 68 5.320 -4.727 -6.411 1.00 0.00 O ATOM 1040 CB ALA A 68 2.255 -5.168 -5.739 1.00 0.00 C ATOM 0 H ALA A 68 2.659 -7.023 -4.056 1.00 0.00 H new ATOM 0 HA ALA A 68 3.518 -6.546 -6.745 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.390 -4.377 -6.477 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.359 -5.740 -5.980 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.148 -4.726 -4.749 1.00 0.00 H new ATOM 1046 N ILE A 69 5.177 -5.250 -4.244 1.00 0.00 N ATOM 1047 CA ILE A 69 6.377 -4.535 -3.876 1.00 0.00 C ATOM 1048 C ILE A 69 7.596 -5.362 -4.284 1.00 0.00 C ATOM 1049 O ILE A 69 8.494 -4.809 -4.907 1.00 0.00 O ATOM 1050 CB ILE A 69 6.289 -4.178 -2.382 1.00 0.00 C ATOM 1051 CG1 ILE A 69 5.131 -3.175 -2.171 1.00 0.00 C ATOM 1052 CG2 ILE A 69 7.603 -3.556 -1.915 1.00 0.00 C ATOM 1053 CD1 ILE A 69 4.823 -2.923 -0.695 1.00 0.00 C ATOM 0 H ILE A 69 4.710 -5.711 -3.463 1.00 0.00 H new ATOM 0 HA ILE A 69 6.483 -3.588 -4.405 1.00 0.00 H new ATOM 0 HB ILE A 69 6.104 -5.082 -1.802 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.384 -2.229 -2.651 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.235 -3.553 -2.664 1.00 0.00 H new ATOM 0 HG21 ILE A 69 7.531 -3.306 -0.856 1.00 0.00 H new ATOM 0 HG22 ILE A 69 8.416 -4.266 -2.066 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.801 -2.651 -2.489 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.002 -2.211 -0.611 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.540 -3.861 -0.217 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.707 -2.517 -0.203 1.00 0.00 H new ATOM 1065 N LYS A 70 7.662 -6.668 -3.998 1.00 0.00 N ATOM 1066 CA LYS A 70 8.844 -7.485 -4.274 1.00 0.00 C ATOM 1067 C LYS A 70 9.062 -7.744 -5.766 1.00 0.00 C ATOM 1068 O LYS A 70 10.095 -8.307 -6.137 1.00 0.00 O ATOM 1069 CB LYS A 70 8.778 -8.815 -3.502 1.00 0.00 C ATOM 1070 CG LYS A 70 7.842 -9.845 -4.159 1.00 0.00 C ATOM 1071 CD LYS A 70 7.784 -11.183 -3.422 1.00 0.00 C ATOM 1072 CE LYS A 70 6.974 -11.062 -2.128 1.00 0.00 C ATOM 1073 NZ LYS A 70 6.033 -12.195 -1.990 1.00 0.00 N ATOM 0 H LYS A 70 6.895 -7.186 -3.568 1.00 0.00 H new ATOM 0 HA LYS A 70 9.703 -6.909 -3.928 1.00 0.00 H new ATOM 0 HB2 LYS A 70 9.780 -9.237 -3.430 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.439 -8.622 -2.484 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.837 -9.427 -4.213 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.170 -10.019 -5.184 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.335 -11.938 -4.067 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.795 -11.520 -3.192 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.649 -11.037 -1.272 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.422 -10.122 -2.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.494 -12.093 -1.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.377 -12.202 -2.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.566 -13.088 -1.970 1.00 0.00 H new ATOM 1087 N LYS A 71 8.098 -7.405 -6.626 1.00 0.00 N ATOM 1088 CA LYS A 71 8.156 -7.787 -8.030 1.00 0.00 C ATOM 1089 C LYS A 71 8.843 -6.727 -8.867 1.00 0.00 C ATOM 1090 O LYS A 71 9.153 -7.002 -10.028 1.00 0.00 O ATOM 1091 CB LYS A 71 6.809 -8.249 -8.539 1.00 0.00 C ATOM 1092 CG LYS A 71 5.849 -7.086 -8.694 1.00 0.00 C ATOM 1093 CD LYS A 71 4.676 -7.551 -9.530 1.00 0.00 C ATOM 1094 CE LYS A 71 3.725 -8.469 -8.729 1.00 0.00 C ATOM 1095 NZ LYS A 71 2.325 -8.463 -9.214 1.00 0.00 N ATOM 0 H LYS A 71 7.270 -6.867 -6.370 1.00 0.00 H new ATOM 0 HA LYS A 71 8.794 -8.665 -8.131 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.933 -8.751 -9.499 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.389 -8.981 -7.849 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.508 -6.742 -7.718 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.347 -6.243 -9.173 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.123 -6.685 -9.894 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.044 -8.085 -10.406 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.106 -9.489 -8.766 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.737 -8.162 -7.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.770 -9.164 -8.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.913 -7.518 -9.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.307 -8.703 -10.226 1.00 0.00 H new ATOM 1109 N ILE A 72 9.157 -5.566 -8.286 1.00 0.00 N ATOM 1110 CA ILE A 72 9.778 -4.437 -8.971 1.00 0.00 C ATOM 1111 C ILE A 72 11.287 -4.686 -9.196 1.00 0.00 C ATOM 1112 O ILE A 72 12.099 -3.764 -9.138 1.00 0.00 O ATOM 1113 CB ILE A 72 9.486 -3.113 -8.216 1.00 0.00 C ATOM 1114 CG1 ILE A 72 8.056 -2.993 -7.647 1.00 0.00 C ATOM 1115 CG2 ILE A 72 9.692 -1.927 -9.177 1.00 0.00 C ATOM 1116 CD1 ILE A 72 7.900 -1.757 -6.742 1.00 0.00 C ATOM 0 H ILE A 72 8.980 -5.384 -7.298 1.00 0.00 H new ATOM 0 HA ILE A 72 9.335 -4.337 -9.962 1.00 0.00 H new ATOM 0 HB ILE A 72 10.175 -3.107 -7.371 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.342 -2.934 -8.469 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.815 -3.892 -7.079 1.00 0.00 H new ATOM 0 HG21 ILE A 72 9.488 -0.994 -8.652 1.00 0.00 H new ATOM 0 HG22 ILE A 72 10.721 -1.924 -9.536 1.00 0.00 H new ATOM 0 HG23 ILE A 72 9.013 -2.023 -10.024 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.879 -1.710 -6.363 1.00 0.00 H new ATOM 0 HD12 ILE A 72 8.595 -1.829 -5.905 1.00 0.00 H new ATOM 0 HD13 ILE A 72 8.115 -0.856 -7.316 1.00 0.00 H new ATOM 1128 N GLU A 73 11.672 -5.943 -9.427 1.00 0.00 N ATOM 1129 CA GLU A 73 12.966 -6.431 -9.919 1.00 0.00 C ATOM 1130 C GLU A 73 14.216 -5.631 -9.518 1.00 0.00 C ATOM 1131 O GLU A 73 15.145 -5.433 -10.312 1.00 0.00 O ATOM 1132 CB GLU A 73 12.860 -6.670 -11.434 1.00 0.00 C ATOM 1133 CG GLU A 73 12.630 -5.396 -12.253 1.00 0.00 C ATOM 1134 CD GLU A 73 12.511 -5.712 -13.742 1.00 0.00 C ATOM 1135 OE1 GLU A 73 11.469 -5.378 -14.353 1.00 0.00 O ATOM 1136 OE2 GLU A 73 13.440 -6.325 -14.318 1.00 0.00 O ATOM 0 H GLU A 73 11.029 -6.717 -9.260 1.00 0.00 H new ATOM 0 HA GLU A 73 13.151 -7.369 -9.395 1.00 0.00 H new ATOM 0 HB2 GLU A 73 13.775 -7.151 -11.780 1.00 0.00 H new ATOM 0 HB3 GLU A 73 12.042 -7.365 -11.625 1.00 0.00 H new ATOM 0 HG2 GLU A 73 11.723 -4.899 -11.910 1.00 0.00 H new ATOM 0 HG3 GLU A 73 13.455 -4.702 -12.090 1.00 0.00 H new ATOM 1144 N GLY A 74 14.306 -5.244 -8.252 1.00 0.00 N ATOM 1145 CA GLY A 74 15.255 -4.227 -7.822 1.00 0.00 C ATOM 1146 C GLY A 74 15.125 -3.884 -6.349 1.00 0.00 C ATOM 1147 O GLY A 74 16.112 -3.565 -5.700 1.00 0.00 O ATOM 0 H GLY A 74 13.729 -5.622 -7.501 1.00 0.00 H new ATOM 0 HA2 GLY A 74 16.268 -4.575 -8.021 1.00 0.00 H new ATOM 0 HA3 GLY A 74 15.106 -3.324 -8.415 1.00 0.00 H new ATOM 1151 N VAL A 75 13.908 -3.997 -5.833 1.00 0.00 N ATOM 1152 CA VAL A 75 13.394 -4.125 -4.470 1.00 0.00 C ATOM 1153 C VAL A 75 14.078 -5.227 -3.659 1.00 0.00 C ATOM 1154 O VAL A 75 13.515 -6.244 -3.253 1.00 0.00 O ATOM 1155 CB VAL A 75 11.883 -4.253 -4.587 1.00 0.00 C ATOM 1156 CG1 VAL A 75 11.567 -5.496 -5.421 1.00 0.00 C ATOM 1157 CG2 VAL A 75 11.146 -4.238 -3.244 1.00 0.00 C ATOM 0 H VAL A 75 13.119 -4.001 -6.479 1.00 0.00 H new ATOM 0 HA VAL A 75 13.634 -3.241 -3.880 1.00 0.00 H new ATOM 0 HB VAL A 75 11.505 -3.364 -5.092 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.487 -5.605 -5.516 1.00 0.00 H new ATOM 0 HG12 VAL A 75 12.010 -5.392 -6.411 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.979 -6.378 -4.930 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.074 -4.334 -3.416 1.00 0.00 H new ATOM 0 HG22 VAL A 75 11.491 -5.070 -2.630 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.348 -3.299 -2.728 1.00 0.00 H new ATOM 1167 N ASN A 76 15.365 -5.021 -3.502 1.00 0.00 N ATOM 1168 CA ASN A 76 16.297 -5.889 -2.837 1.00 0.00 C ATOM 1169 C ASN A 76 15.759 -6.361 -1.489 1.00 0.00 C ATOM 1170 O ASN A 76 15.694 -7.562 -1.238 1.00 0.00 O ATOM 1171 CB ASN A 76 17.531 -5.038 -2.623 1.00 0.00 C ATOM 1172 CG ASN A 76 18.536 -5.748 -1.737 1.00 0.00 C ATOM 1173 OD1 ASN A 76 18.804 -6.936 -1.924 1.00 0.00 O ATOM 1174 ND2 ASN A 76 19.068 -5.061 -0.741 1.00 0.00 N ATOM 0 H ASN A 76 15.816 -4.181 -3.863 1.00 0.00 H new ATOM 0 HA ASN A 76 16.492 -6.786 -3.425 1.00 0.00 H new ATOM 0 HB2 ASN A 76 17.989 -4.807 -3.585 1.00 0.00 H new ATOM 0 HB3 ASN A 76 17.248 -4.089 -2.169 1.00 0.00 H new ATOM 0 HD21 ASN A 76 19.721 -5.513 -0.101 1.00 0.00 H new ATOM 0 HD22 ASN A 76 18.826 -4.078 -0.613 1.00 0.00 H new ATOM 1181 N ASN A 77 15.411 -5.397 -0.637 1.00 0.00 N ATOM 1182 CA ASN A 77 14.891 -5.601 0.711 1.00 0.00 C ATOM 1183 C ASN A 77 13.523 -4.921 0.831 1.00 0.00 C ATOM 1184 O ASN A 77 13.315 -3.888 0.183 1.00 0.00 O ATOM 1185 CB ASN A 77 15.865 -4.928 1.666 1.00 0.00 C ATOM 1186 CG ASN A 77 15.766 -5.391 3.103 1.00 0.00 C ATOM 1187 OD1 ASN A 77 15.882 -6.571 3.397 1.00 0.00 O ATOM 1188 ND2 ASN A 77 15.611 -4.454 4.012 1.00 0.00 N ATOM 0 H ASN A 77 15.488 -4.409 -0.880 1.00 0.00 H new ATOM 0 HA ASN A 77 14.783 -6.662 0.936 1.00 0.00 H new ATOM 0 HB2 ASN A 77 16.880 -5.104 1.311 1.00 0.00 H new ATOM 0 HB3 ASN A 77 15.699 -3.851 1.634 1.00 0.00 H new ATOM 0 HD21 ASN A 77 15.584 -4.702 5.001 1.00 0.00 H new ATOM 0 HD22 ASN A 77 15.517 -3.479 3.728 1.00 0.00 H new ATOM 1195 N VAL A 78 12.618 -5.448 1.663 1.00 0.00 N ATOM 1196 CA VAL A 78 11.183 -5.168 1.528 1.00 0.00 C ATOM 1197 C VAL A 78 10.599 -4.777 2.882 1.00 0.00 C ATOM 1198 O VAL A 78 10.037 -5.610 3.597 1.00 0.00 O ATOM 1199 CB VAL A 78 10.467 -6.373 0.869 1.00 0.00 C ATOM 1200 CG1 VAL A 78 9.020 -6.014 0.488 1.00 0.00 C ATOM 1201 CG2 VAL A 78 11.245 -6.797 -0.386 1.00 0.00 C ATOM 0 H VAL A 78 12.853 -6.070 2.436 1.00 0.00 H new ATOM 0 HA VAL A 78 11.025 -4.317 0.866 1.00 0.00 H new ATOM 0 HB VAL A 78 10.435 -7.195 1.584 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.540 -6.877 0.027 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.468 -5.727 1.383 1.00 0.00 H new ATOM 0 HG13 VAL A 78 9.025 -5.183 -0.217 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.746 -7.645 -0.854 1.00 0.00 H new ATOM 0 HG22 VAL A 78 11.283 -5.965 -1.089 1.00 0.00 H new ATOM 0 HG23 VAL A 78 12.259 -7.082 -0.106 1.00 0.00 H new ATOM 1211 N GLU A 79 10.739 -3.505 3.246 1.00 0.00 N ATOM 1212 CA GLU A 79 10.528 -3.020 4.593 1.00 0.00 C ATOM 1213 C GLU A 79 9.169 -2.322 4.680 1.00 0.00 C ATOM 1214 O GLU A 79 9.068 -1.094 4.672 1.00 0.00 O ATOM 1215 CB GLU A 79 11.669 -2.073 4.964 1.00 0.00 C ATOM 1216 CG GLU A 79 13.087 -2.598 4.765 1.00 0.00 C ATOM 1217 CD GLU A 79 14.078 -1.785 5.607 1.00 0.00 C ATOM 1218 OE1 GLU A 79 15.034 -1.229 5.035 1.00 0.00 O ATOM 1219 OE2 GLU A 79 13.892 -1.663 6.842 1.00 0.00 O ATOM 0 H GLU A 79 11.009 -2.771 2.591 1.00 0.00 H new ATOM 0 HA GLU A 79 10.523 -3.850 5.300 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.558 -1.161 4.378 1.00 0.00 H new ATOM 0 HB3 GLU A 79 11.553 -1.795 6.011 1.00 0.00 H new ATOM 0 HG2 GLU A 79 13.136 -3.650 5.048 1.00 0.00 H new ATOM 0 HG3 GLU A 79 13.360 -2.538 3.711 1.00 0.00 H new ATOM 1227 N VAL A 80 8.092 -3.098 4.690 1.00 0.00 N ATOM 1228 CA VAL A 80 6.745 -2.552 4.771 1.00 0.00 C ATOM 1229 C VAL A 80 6.357 -2.520 6.256 1.00 0.00 C ATOM 1230 O VAL A 80 6.026 -3.559 6.825 1.00 0.00 O ATOM 1231 CB VAL A 80 5.770 -3.385 3.905 1.00 0.00 C ATOM 1232 CG1 VAL A 80 4.431 -2.640 3.793 1.00 0.00 C ATOM 1233 CG2 VAL A 80 6.314 -3.671 2.492 1.00 0.00 C ATOM 0 H VAL A 80 8.128 -4.116 4.643 1.00 0.00 H new ATOM 0 HA VAL A 80 6.697 -1.539 4.371 1.00 0.00 H new ATOM 0 HB VAL A 80 5.642 -4.348 4.400 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.740 -3.223 3.184 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.008 -2.500 4.788 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.593 -1.668 3.328 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.585 -4.258 1.934 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.494 -2.729 1.974 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.248 -4.228 2.568 1.00 0.00 H new ATOM 1243 N GLU A 81 6.401 -1.355 6.900 1.00 0.00 N ATOM 1244 CA GLU A 81 5.898 -1.188 8.257 1.00 0.00 C ATOM 1245 C GLU A 81 4.377 -1.054 8.179 1.00 0.00 C ATOM 1246 O GLU A 81 3.853 -0.338 7.322 1.00 0.00 O ATOM 1247 CB GLU A 81 6.539 0.055 8.898 1.00 0.00 C ATOM 1248 CG GLU A 81 6.076 0.291 10.351 1.00 0.00 C ATOM 1249 CD GLU A 81 6.824 1.416 11.083 1.00 0.00 C ATOM 1250 OE1 GLU A 81 7.932 1.824 10.646 1.00 0.00 O ATOM 1251 OE2 GLU A 81 6.373 1.844 12.168 1.00 0.00 O ATOM 0 H GLU A 81 6.787 -0.503 6.494 1.00 0.00 H new ATOM 0 HA GLU A 81 6.154 -2.046 8.879 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.624 -0.053 8.881 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.296 0.932 8.298 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.011 0.523 10.346 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.198 -0.635 10.913 1.00 0.00 H new ATOM 1259 N LEU A 82 3.674 -1.679 9.121 1.00 0.00 N ATOM 1260 CA LEU A 82 2.226 -1.687 9.264 1.00 0.00 C ATOM 1261 C LEU A 82 1.878 -1.032 10.582 1.00 0.00 C ATOM 1262 O LEU A 82 1.694 -1.691 11.606 1.00 0.00 O ATOM 1263 CB LEU A 82 1.705 -3.125 9.132 1.00 0.00 C ATOM 1264 CG LEU A 82 0.171 -3.237 9.186 1.00 0.00 C ATOM 1265 CD1 LEU A 82 -0.501 -2.612 7.963 1.00 0.00 C ATOM 1266 CD2 LEU A 82 -0.227 -4.713 9.218 1.00 0.00 C ATOM 0 H LEU A 82 4.133 -2.227 9.849 1.00 0.00 H new ATOM 0 HA LEU A 82 1.737 -1.115 8.475 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.058 -3.544 8.190 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.133 -3.731 9.931 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.155 -2.706 10.080 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -1.583 -2.717 8.049 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.242 -1.555 7.906 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.158 -3.118 7.061 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.313 -4.796 9.256 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.144 -5.209 8.321 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.205 -5.187 10.100 1.00 0.00 H new ATOM 1278 N THR A 83 1.778 0.285 10.550 1.00 0.00 N ATOM 1279 CA THR A 83 1.446 1.069 11.711 1.00 0.00 C ATOM 1280 C THR A 83 -0.070 0.929 11.873 1.00 0.00 C ATOM 1281 O THR A 83 -0.837 1.159 10.933 1.00 0.00 O ATOM 1282 CB THR A 83 1.859 2.529 11.463 1.00 0.00 C ATOM 1283 OG1 THR A 83 3.234 2.680 11.177 1.00 0.00 O ATOM 1284 CG2 THR A 83 1.620 3.368 12.704 1.00 0.00 C ATOM 0 H THR A 83 1.928 0.839 9.707 1.00 0.00 H new ATOM 0 HA THR A 83 1.960 0.740 12.614 1.00 0.00 H new ATOM 0 HB THR A 83 1.259 2.847 10.611 1.00 0.00 H new ATOM 0 HG1 THR A 83 3.435 3.627 11.028 1.00 0.00 H new ATOM 0 HG21 THR A 83 1.918 4.398 12.510 1.00 0.00 H new ATOM 0 HG22 THR A 83 0.562 3.339 12.964 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.208 2.970 13.531 1.00 0.00 H new ATOM 1292 N PHE A 84 -0.514 0.503 13.049 1.00 0.00 N ATOM 1293 CA PHE A 84 -1.931 0.281 13.357 1.00 0.00 C ATOM 1294 C PHE A 84 -2.482 1.245 14.405 1.00 0.00 C ATOM 1295 O PHE A 84 -3.699 1.317 14.573 1.00 0.00 O ATOM 1296 CB PHE A 84 -2.165 -1.183 13.771 1.00 0.00 C ATOM 1297 CG PHE A 84 -2.944 -1.980 12.747 1.00 0.00 C ATOM 1298 CD1 PHE A 84 -4.189 -1.505 12.291 1.00 0.00 C ATOM 1299 CD2 PHE A 84 -2.403 -3.159 12.205 1.00 0.00 C ATOM 1300 CE1 PHE A 84 -4.854 -2.172 11.252 1.00 0.00 C ATOM 1301 CE2 PHE A 84 -3.103 -3.860 11.208 1.00 0.00 C ATOM 1302 CZ PHE A 84 -4.317 -3.354 10.716 1.00 0.00 C ATOM 0 H PHE A 84 0.107 0.297 13.832 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.487 0.488 12.442 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -1.201 -1.664 13.938 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -2.700 -1.203 14.720 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.631 -0.628 12.741 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.449 -3.526 12.555 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -5.781 -1.776 10.863 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -2.707 -4.787 10.821 1.00 0.00 H new ATOM 0 HZ PHE A 84 -4.838 -3.874 9.925 1.00 0.00 H new ATOM 1312 N ASP A 85 -1.626 1.990 15.095 1.00 0.00 N ATOM 1313 CA ASP A 85 -2.058 2.963 16.094 1.00 0.00 C ATOM 1314 C ASP A 85 -2.909 4.086 15.491 1.00 0.00 C ATOM 1315 O ASP A 85 -4.019 4.304 15.979 1.00 0.00 O ATOM 1316 CB ASP A 85 -0.861 3.584 16.822 1.00 0.00 C ATOM 1317 CG ASP A 85 -0.667 3.049 18.243 1.00 0.00 C ATOM 1318 OD1 ASP A 85 0.507 2.791 18.596 1.00 0.00 O ATOM 1319 OD2 ASP A 85 -1.642 2.934 19.017 1.00 0.00 O ATOM 0 H ASP A 85 -0.614 1.937 14.979 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.672 2.408 16.803 1.00 0.00 H new ATOM 0 HB2 ASP A 85 0.044 3.395 16.244 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -0.992 4.665 16.864 1.00 0.00 H new ATOM 1325 N PRO A 86 -2.444 4.834 14.465 1.00 0.00 N ATOM 1326 CA PRO A 86 -3.112 6.051 14.066 1.00 0.00 C ATOM 1327 C PRO A 86 -4.404 5.705 13.326 1.00 0.00 C ATOM 1328 O PRO A 86 -4.501 4.655 12.676 1.00 0.00 O ATOM 1329 CB PRO A 86 -2.128 6.809 13.171 1.00 0.00 C ATOM 1330 CG PRO A 86 -1.327 5.689 12.523 1.00 0.00 C ATOM 1331 CD PRO A 86 -1.284 4.628 13.621 1.00 0.00 C ATOM 0 HA PRO A 86 -3.392 6.669 14.919 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -2.644 7.419 12.429 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -1.491 7.480 13.748 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -1.809 5.317 11.619 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -0.328 6.018 12.239 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.296 3.627 13.189 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.366 4.713 14.202 1.00 0.00 H new ATOM 1339 N PRO A 87 -5.408 6.588 13.382 1.00 0.00 N ATOM 1340 CA PRO A 87 -6.582 6.466 12.543 1.00 0.00 C ATOM 1341 C PRO A 87 -6.129 6.651 11.092 1.00 0.00 C ATOM 1342 O PRO A 87 -5.427 7.620 10.792 1.00 0.00 O ATOM 1343 CB PRO A 87 -7.534 7.553 13.043 1.00 0.00 C ATOM 1344 CG PRO A 87 -6.630 8.615 13.668 1.00 0.00 C ATOM 1345 CD PRO A 87 -5.408 7.827 14.140 1.00 0.00 C ATOM 0 HA PRO A 87 -7.091 5.503 12.586 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -8.123 7.968 12.225 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -8.238 7.155 13.773 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.355 9.382 12.944 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -7.123 9.122 14.497 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.491 8.390 13.966 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -5.462 7.629 15.210 1.00 0.00 H new ATOM 1353 N TRP A 88 -6.465 5.707 10.210 1.00 0.00 N ATOM 1354 CA TRP A 88 -6.056 5.741 8.810 1.00 0.00 C ATOM 1355 C TRP A 88 -6.763 6.924 8.132 1.00 0.00 C ATOM 1356 O TRP A 88 -6.158 7.992 8.025 1.00 0.00 O ATOM 1357 CB TRP A 88 -6.240 4.363 8.156 1.00 0.00 C ATOM 1358 CG TRP A 88 -6.569 4.373 6.698 1.00 0.00 C ATOM 1359 CD1 TRP A 88 -5.785 4.757 5.662 1.00 0.00 C ATOM 1360 CD2 TRP A 88 -7.864 4.063 6.129 1.00 0.00 C ATOM 1361 NE1 TRP A 88 -6.529 4.723 4.494 1.00 0.00 N ATOM 1362 CE2 TRP A 88 -7.827 4.333 4.733 1.00 0.00 C ATOM 1363 CE3 TRP A 88 -9.074 3.608 6.685 1.00 0.00 C ATOM 1364 CZ2 TRP A 88 -8.949 4.143 3.917 1.00 0.00 C ATOM 1365 CZ3 TRP A 88 -10.183 3.366 5.868 1.00 0.00 C ATOM 1366 CH2 TRP A 88 -10.119 3.637 4.494 1.00 0.00 C ATOM 0 H TRP A 88 -7.032 4.894 10.452 1.00 0.00 H new ATOM 0 HA TRP A 88 -4.988 5.927 8.695 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -5.324 3.789 8.299 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -7.033 3.834 8.684 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -4.746 5.044 5.735 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -6.161 4.958 3.572 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -9.147 3.445 7.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -8.912 4.382 2.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -11.091 2.969 6.297 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -10.983 3.453 3.873 1.00 0.00 H new ATOM 1377 N THR A 89 -8.014 6.750 7.685 1.00 0.00 N ATOM 1378 CA THR A 89 -9.126 7.692 7.497 1.00 0.00 C ATOM 1379 C THR A 89 -10.077 7.064 6.459 1.00 0.00 C ATOM 1380 O THR A 89 -9.655 6.916 5.313 1.00 0.00 O ATOM 1381 CB THR A 89 -8.692 9.119 7.107 1.00 0.00 C ATOM 1382 OG1 THR A 89 -8.022 9.758 8.171 1.00 0.00 O ATOM 1383 CG2 THR A 89 -9.868 9.998 6.705 1.00 0.00 C ATOM 0 H THR A 89 -8.309 5.814 7.409 1.00 0.00 H new ATOM 0 HA THR A 89 -9.630 7.839 8.452 1.00 0.00 H new ATOM 0 HB THR A 89 -8.026 8.998 6.252 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.086 9.469 8.188 1.00 0.00 H new ATOM 0 HG21 THR A 89 -9.506 10.991 6.440 1.00 0.00 H new ATOM 0 HG22 THR A 89 -10.376 9.556 5.848 1.00 0.00 H new ATOM 0 HG23 THR A 89 -10.565 10.076 7.539 1.00 0.00 H new ATOM 1391 N PRO A 90 -11.347 6.744 6.757 1.00 0.00 N ATOM 1392 CA PRO A 90 -12.224 6.112 5.769 1.00 0.00 C ATOM 1393 C PRO A 90 -12.445 6.957 4.511 1.00 0.00 C ATOM 1394 O PRO A 90 -12.582 6.403 3.419 1.00 0.00 O ATOM 1395 CB PRO A 90 -13.515 5.754 6.508 1.00 0.00 C ATOM 1396 CG PRO A 90 -13.515 6.672 7.727 1.00 0.00 C ATOM 1397 CD PRO A 90 -12.032 6.895 8.030 1.00 0.00 C ATOM 0 HA PRO A 90 -11.757 5.213 5.366 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -14.392 5.922 5.883 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -13.529 4.704 6.800 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -14.024 7.613 7.517 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -14.029 6.213 8.571 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -11.863 7.886 8.451 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -11.668 6.172 8.760 1.00 0.00 H new ATOM 1405 N GLU A 91 -12.382 8.287 4.614 1.00 0.00 N ATOM 1406 CA GLU A 91 -12.637 9.146 3.460 1.00 0.00 C ATOM 1407 C GLU A 91 -11.417 9.247 2.530 1.00 0.00 C ATOM 1408 O GLU A 91 -11.527 9.828 1.454 1.00 0.00 O ATOM 1409 CB GLU A 91 -13.296 10.477 3.864 1.00 0.00 C ATOM 1410 CG GLU A 91 -12.353 11.576 4.344 1.00 0.00 C ATOM 1411 CD GLU A 91 -11.749 12.391 3.199 1.00 0.00 C ATOM 1412 OE1 GLU A 91 -10.502 12.364 3.036 1.00 0.00 O ATOM 1413 OE2 GLU A 91 -12.484 13.119 2.509 1.00 0.00 O ATOM 0 H GLU A 91 -12.159 8.786 5.475 1.00 0.00 H new ATOM 0 HA GLU A 91 -13.391 8.668 2.835 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -13.856 10.855 3.009 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -14.018 10.276 4.655 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -12.895 12.245 5.012 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.548 11.127 4.926 1.00 0.00 H new ATOM 1421 N ARG A 92 -10.273 8.621 2.860 1.00 0.00 N ATOM 1422 CA ARG A 92 -9.164 8.523 1.901 1.00 0.00 C ATOM 1423 C ARG A 92 -9.614 7.824 0.622 1.00 0.00 C ATOM 1424 O ARG A 92 -9.174 8.219 -0.460 1.00 0.00 O ATOM 1425 CB ARG A 92 -7.960 7.752 2.453 1.00 0.00 C ATOM 1426 CG ARG A 92 -7.274 8.420 3.650 1.00 0.00 C ATOM 1427 CD ARG A 92 -5.764 8.166 3.627 1.00 0.00 C ATOM 1428 NE ARG A 92 -4.940 9.197 4.290 1.00 0.00 N ATOM 1429 CZ ARG A 92 -3.657 9.432 3.959 1.00 0.00 C ATOM 1430 NH1 ARG A 92 -3.017 8.636 3.115 1.00 0.00 N ATOM 1431 NH2 ARG A 92 -2.996 10.451 4.492 1.00 0.00 N ATOM 0 H ARG A 92 -10.096 8.184 3.765 1.00 0.00 H new ATOM 0 HA ARG A 92 -8.861 9.551 1.701 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -8.287 6.755 2.747 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -7.228 7.625 1.655 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -7.467 9.493 3.632 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -7.697 8.035 4.578 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -5.567 7.205 4.103 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -5.443 8.080 2.589 1.00 0.00 H new ATOM 0 HE ARG A 92 -5.362 9.756 5.032 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -3.497 7.833 2.707 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -2.045 8.826 2.873 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -3.460 11.066 5.160 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -2.024 10.619 4.234 1.00 0.00 H new ATOM 1445 N MET A 93 -10.475 6.812 0.764 1.00 0.00 N ATOM 1446 CA MET A 93 -11.056 6.093 -0.356 1.00 0.00 C ATOM 1447 C MET A 93 -11.753 7.049 -1.305 1.00 0.00 C ATOM 1448 O MET A 93 -12.239 8.118 -0.915 1.00 0.00 O ATOM 1449 CB MET A 93 -12.075 5.048 0.114 1.00 0.00 C ATOM 1450 CG MET A 93 -11.391 3.944 0.907 1.00 0.00 C ATOM 1451 SD MET A 93 -12.369 2.441 1.168 1.00 0.00 S ATOM 1452 CE MET A 93 -13.983 3.077 1.663 1.00 0.00 C ATOM 0 H MET A 93 -10.787 6.471 1.673 1.00 0.00 H new ATOM 0 HA MET A 93 -10.236 5.590 -0.868 1.00 0.00 H new ATOM 0 HB2 MET A 93 -12.836 5.527 0.731 1.00 0.00 H new ATOM 0 HB3 MET A 93 -12.587 4.619 -0.748 1.00 0.00 H new ATOM 0 HG2 MET A 93 -10.469 3.671 0.393 1.00 0.00 H new ATOM 0 HG3 MET A 93 -11.107 4.344 1.880 1.00 0.00 H new ATOM 0 HE1 MET A 93 -14.628 2.247 1.951 1.00 0.00 H new ATOM 0 HE2 MET A 93 -13.863 3.754 2.509 1.00 0.00 H new ATOM 0 HE3 MET A 93 -14.434 3.615 0.829 1.00 0.00 H new ATOM 1462 N SER A 94 -11.846 6.616 -2.553 1.00 0.00 N ATOM 1463 CA SER A 94 -12.426 7.389 -3.622 1.00 0.00 C ATOM 1464 C SER A 94 -13.887 7.767 -3.339 1.00 0.00 C ATOM 1465 O SER A 94 -14.652 6.975 -2.784 1.00 0.00 O ATOM 1466 CB SER A 94 -12.284 6.616 -4.925 1.00 0.00 C ATOM 1467 OG SER A 94 -12.415 5.210 -4.759 1.00 0.00 O ATOM 0 H SER A 94 -11.512 5.699 -2.849 1.00 0.00 H new ATOM 0 HA SER A 94 -11.887 8.333 -3.705 1.00 0.00 H new ATOM 0 HB2 SER A 94 -13.039 6.964 -5.630 1.00 0.00 H new ATOM 0 HB3 SER A 94 -11.311 6.834 -5.365 1.00 0.00 H new ATOM 0 HG SER A 94 -12.317 4.767 -5.628 1.00 0.00 H new ATOM 1473 N PRO A 95 -14.317 8.958 -3.777 1.00 0.00 N ATOM 1474 CA PRO A 95 -15.632 9.485 -3.456 1.00 0.00 C ATOM 1475 C PRO A 95 -16.783 8.713 -4.109 1.00 0.00 C ATOM 1476 O PRO A 95 -17.883 8.726 -3.559 1.00 0.00 O ATOM 1477 CB PRO A 95 -15.571 10.946 -3.896 1.00 0.00 C ATOM 1478 CG PRO A 95 -14.540 10.950 -5.022 1.00 0.00 C ATOM 1479 CD PRO A 95 -13.528 9.954 -4.486 1.00 0.00 C ATOM 0 HA PRO A 95 -15.852 9.383 -2.393 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -16.542 11.299 -4.243 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -15.269 11.598 -3.076 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -14.967 10.634 -5.974 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -14.105 11.937 -5.180 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.955 9.500 -5.294 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -12.813 10.438 -3.820 1.00 0.00 H new ATOM 1487 N GLU A 96 -16.567 8.018 -5.235 1.00 0.00 N ATOM 1488 CA GLU A 96 -17.598 7.130 -5.786 1.00 0.00 C ATOM 1489 C GLU A 96 -17.864 5.969 -4.826 1.00 0.00 C ATOM 1490 O GLU A 96 -19.014 5.552 -4.670 1.00 0.00 O ATOM 1491 CB GLU A 96 -17.177 6.545 -7.145 1.00 0.00 C ATOM 1492 CG GLU A 96 -17.256 7.522 -8.329 1.00 0.00 C ATOM 1493 CD GLU A 96 -16.859 6.871 -9.667 1.00 0.00 C ATOM 1494 OE1 GLU A 96 -17.038 7.509 -10.724 1.00 0.00 O ATOM 1495 OE2 GLU A 96 -16.366 5.717 -9.700 1.00 0.00 O ATOM 0 H GLU A 96 -15.702 8.053 -5.774 1.00 0.00 H new ATOM 0 HA GLU A 96 -18.498 7.730 -5.920 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -16.153 6.179 -7.064 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -17.808 5.683 -7.363 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -18.271 7.911 -8.406 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -16.603 8.373 -8.136 1.00 0.00 H new ATOM 1503 N LEU A 97 -16.813 5.439 -4.188 1.00 0.00 N ATOM 1504 CA LEU A 97 -16.978 4.336 -3.253 1.00 0.00 C ATOM 1505 C LEU A 97 -17.708 4.782 -2.007 1.00 0.00 C ATOM 1506 O LEU A 97 -18.530 4.013 -1.530 1.00 0.00 O ATOM 1507 CB LEU A 97 -15.649 3.758 -2.787 1.00 0.00 C ATOM 1508 CG LEU A 97 -14.906 2.938 -3.835 1.00 0.00 C ATOM 1509 CD1 LEU A 97 -13.612 2.519 -3.177 1.00 0.00 C ATOM 1510 CD2 LEU A 97 -15.635 1.655 -4.226 1.00 0.00 C ATOM 0 H LEU A 97 -15.851 5.757 -4.305 1.00 0.00 H new ATOM 0 HA LEU A 97 -17.542 3.581 -3.800 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -15.006 4.577 -2.464 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -15.828 3.130 -1.914 1.00 0.00 H new ATOM 0 HG LEU A 97 -14.793 3.541 -4.736 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -13.025 1.923 -3.876 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -13.046 3.405 -2.891 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -13.831 1.926 -2.289 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -15.052 1.119 -4.975 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -15.761 1.025 -3.345 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -16.613 1.903 -4.637 1.00 0.00 H new ATOM 1522 N ARG A 98 -17.446 5.992 -1.503 1.00 0.00 N ATOM 1523 CA ARG A 98 -18.042 6.430 -0.246 1.00 0.00 C ATOM 1524 C ARG A 98 -19.556 6.358 -0.327 1.00 0.00 C ATOM 1525 O ARG A 98 -20.173 5.744 0.543 1.00 0.00 O ATOM 1526 CB ARG A 98 -17.571 7.833 0.138 1.00 0.00 C ATOM 1527 CG ARG A 98 -16.070 7.891 0.435 1.00 0.00 C ATOM 1528 CD ARG A 98 -15.687 9.287 0.934 1.00 0.00 C ATOM 1529 NE ARG A 98 -14.392 9.712 0.378 1.00 0.00 N ATOM 1530 CZ ARG A 98 -14.096 10.895 -0.169 1.00 0.00 C ATOM 1531 NH1 ARG A 98 -15.010 11.854 -0.290 1.00 0.00 N ATOM 1532 NH2 ARG A 98 -12.869 11.082 -0.630 1.00 0.00 N ATOM 0 H ARG A 98 -16.831 6.676 -1.944 1.00 0.00 H new ATOM 0 HA ARG A 98 -17.709 5.754 0.542 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -17.804 8.524 -0.672 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -18.124 8.170 1.015 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -15.811 7.144 1.185 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -15.504 7.650 -0.464 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -16.460 10.002 0.652 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -15.636 9.286 2.023 1.00 0.00 H new ATOM 0 HE ARG A 98 -13.637 9.028 0.414 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -15.962 11.695 0.039 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -14.758 12.748 -0.711 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -12.179 10.334 -0.562 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -12.614 11.974 -1.053 1.00 0.00 H new ATOM 1546 N GLU A 99 -20.145 6.929 -1.375 1.00 0.00 N ATOM 1547 CA GLU A 99 -21.590 6.905 -1.521 1.00 0.00 C ATOM 1548 C GLU A 99 -22.120 5.509 -1.851 1.00 0.00 C ATOM 1549 O GLU A 99 -23.176 5.127 -1.356 1.00 0.00 O ATOM 1550 CB GLU A 99 -22.049 7.979 -2.494 1.00 0.00 C ATOM 1551 CG GLU A 99 -21.620 7.751 -3.936 1.00 0.00 C ATOM 1552 CD GLU A 99 -22.217 8.855 -4.799 1.00 0.00 C ATOM 1553 OE1 GLU A 99 -21.519 9.872 -5.022 1.00 0.00 O ATOM 1554 OE2 GLU A 99 -23.424 8.768 -5.112 1.00 0.00 O ATOM 0 H GLU A 99 -19.647 7.408 -2.125 1.00 0.00 H new ATOM 0 HA GLU A 99 -22.033 7.148 -0.555 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -23.137 8.043 -2.458 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -21.662 8.942 -2.161 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -20.533 7.756 -4.013 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -21.959 6.775 -4.282 1.00 0.00 H new ATOM 1562 N LYS A 100 -21.393 4.724 -2.650 1.00 0.00 N ATOM 1563 CA LYS A 100 -21.743 3.348 -2.965 1.00 0.00 C ATOM 1564 C LYS A 100 -21.828 2.528 -1.674 1.00 0.00 C ATOM 1565 O LYS A 100 -22.902 2.028 -1.336 1.00 0.00 O ATOM 1566 CB LYS A 100 -20.679 2.856 -3.950 1.00 0.00 C ATOM 1567 CG LYS A 100 -20.791 1.405 -4.404 1.00 0.00 C ATOM 1568 CD LYS A 100 -19.506 0.994 -5.135 1.00 0.00 C ATOM 1569 CE LYS A 100 -19.477 1.234 -6.654 1.00 0.00 C ATOM 1570 NZ LYS A 100 -19.230 2.639 -7.058 1.00 0.00 N ATOM 0 H LYS A 100 -20.533 5.037 -3.100 1.00 0.00 H new ATOM 0 HA LYS A 100 -22.724 3.248 -3.429 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -20.711 3.493 -4.834 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -19.700 2.996 -3.492 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -20.956 0.756 -3.544 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -21.651 1.285 -5.063 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -18.671 1.533 -4.688 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -19.334 -0.067 -4.953 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -18.703 0.604 -7.092 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -20.428 0.911 -7.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -19.009 2.674 -8.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -20.079 3.209 -6.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -18.429 3.020 -6.516 1.00 0.00 H new ATOM 1584 N PHE A 101 -20.708 2.407 -0.960 1.00 0.00 N ATOM 1585 CA PHE A 101 -20.594 1.565 0.223 1.00 0.00 C ATOM 1586 C PHE A 101 -21.425 2.098 1.389 1.00 0.00 C ATOM 1587 O PHE A 101 -21.842 1.298 2.228 1.00 0.00 O ATOM 1588 CB PHE A 101 -19.114 1.429 0.622 1.00 0.00 C ATOM 1589 CG PHE A 101 -18.378 0.353 -0.151 1.00 0.00 C ATOM 1590 CD1 PHE A 101 -18.310 0.398 -1.558 1.00 0.00 C ATOM 1591 CD2 PHE A 101 -17.801 -0.735 0.534 1.00 0.00 C ATOM 1592 CE1 PHE A 101 -17.737 -0.665 -2.274 1.00 0.00 C ATOM 1593 CE2 PHE A 101 -17.230 -1.797 -0.186 1.00 0.00 C ATOM 1594 CZ PHE A 101 -17.212 -1.769 -1.590 1.00 0.00 C ATOM 0 H PHE A 101 -19.846 2.899 -1.193 1.00 0.00 H new ATOM 0 HA PHE A 101 -20.992 0.581 -0.024 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -18.614 2.385 0.465 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -19.052 1.207 1.687 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -18.701 1.254 -2.088 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -17.798 -0.752 1.614 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -17.701 -0.632 -3.353 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -16.804 -2.637 0.341 1.00 0.00 H new ATOM 0 HZ PHE A 101 -16.794 -2.598 -2.142 1.00 0.00 H new ATOM 1604 N GLY A 102 -21.682 3.407 1.455 1.00 0.00 N ATOM 1605 CA GLY A 102 -22.330 4.011 2.606 1.00 0.00 C ATOM 1606 C GLY A 102 -21.287 4.205 3.699 1.00 0.00 C ATOM 1607 O GLY A 102 -21.391 3.619 4.778 1.00 0.00 O ATOM 0 H GLY A 102 -21.446 4.068 0.715 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -22.775 4.968 2.332 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -23.139 3.374 2.963 1.00 0.00 H new ATOM 1611 N VAL A 103 -20.232 4.951 3.376 1.00 0.00 N ATOM 1612 CA VAL A 103 -19.214 5.395 4.319 1.00 0.00 C ATOM 1613 C VAL A 103 -19.815 6.527 5.142 1.00 0.00 C ATOM 1614 O VAL A 103 -20.631 7.314 4.592 1.00 0.00 O ATOM 1615 CB VAL A 103 -17.950 5.794 3.527 1.00 0.00 C ATOM 1616 CG1 VAL A 103 -16.844 6.393 4.397 1.00 0.00 C ATOM 1617 CG2 VAL A 103 -17.356 4.566 2.811 1.00 0.00 C ATOM 0 H VAL A 103 -20.059 5.271 2.423 1.00 0.00 H new ATOM 0 HA VAL A 103 -18.906 4.614 5.014 1.00 0.00 H new ATOM 0 HB VAL A 103 -18.282 6.554 2.820 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -15.988 6.649 3.772 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -17.215 7.292 4.890 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -16.539 5.666 5.150 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -16.466 4.863 2.257 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -17.089 3.809 3.548 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -18.093 4.156 2.120 1.00 0.00 H new