USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 600 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 41 SER OG : rot 52:sc= 0.269 USER MOD Set 1.2: A 57 CYS SG : rot 180:sc= 0.0031 USER MOD Set 2.1: A 8 ASN : amide:sc= -0.265 K(o=-4.6,f=-5.4!) USER MOD Set 2.2: A 19 GLN :FLIP amide:sc= -4.36! F(o=-5.4,f=-4.6!) USER MOD Single : A 4 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.311) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.2 USER MOD Single : A 18 SER OG : rot -17:sc= 0.762 USER MOD Single : A 21 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.265) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 179:sc= -4.29! (180deg=-4.37!) USER MOD Single : A 29 TYR OH : rot 114:sc= 0.292 USER MOD Single : A 32 SER OG : rot 9:sc= 0.828 USER MOD Single : A 37 GLN :FLIP amide:sc= -5.42! C(o=-13!,f=-5.4!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -171:sc= 0.568 (180deg=0.15!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -129:sc= 0.235 (180deg=-2.16!) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.0333 F(o=-1.7!,f=-0.033) USER MOD Single : A 69 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.324) USER MOD Single : A 72 HIS : no HD1:sc=-0.00581 X(o=-0.0058,f=-0.025) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 3 -16.248 12.266 12.424 1.00 0.00 N ATOM 2 CA GLU A 3 -14.914 12.929 12.342 1.00 0.00 C ATOM 3 C GLU A 3 -13.895 11.917 11.809 1.00 0.00 C ATOM 4 O GLU A 3 -12.725 11.965 12.128 1.00 0.00 O ATOM 5 CB GLU A 3 -14.494 13.395 13.743 1.00 0.00 C ATOM 6 CG GLU A 3 -13.397 14.461 13.632 1.00 0.00 C ATOM 7 CD GLU A 3 -13.015 14.945 15.032 1.00 0.00 C ATOM 8 OE1 GLU A 3 -12.562 14.129 15.818 1.00 0.00 O ATOM 9 OE2 GLU A 3 -13.187 16.124 15.296 1.00 0.00 O ATOM 0 HA GLU A 3 -14.962 13.790 11.676 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -15.355 13.801 14.274 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -14.132 12.547 14.324 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -12.524 14.048 13.127 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -13.748 15.298 13.029 1.00 0.00 H new ATOM 16 N LYS A 4 -14.342 10.988 11.011 1.00 0.00 N ATOM 17 CA LYS A 4 -13.422 9.950 10.460 1.00 0.00 C ATOM 18 C LYS A 4 -13.965 9.505 9.097 1.00 0.00 C ATOM 19 O LYS A 4 -15.104 9.100 8.976 1.00 0.00 O ATOM 20 CB LYS A 4 -13.368 8.753 11.427 1.00 0.00 C ATOM 21 CG LYS A 4 -12.791 9.207 12.781 1.00 0.00 C ATOM 22 CD LYS A 4 -12.539 7.993 13.707 1.00 0.00 C ATOM 23 CE LYS A 4 -11.095 7.504 13.560 1.00 0.00 C ATOM 24 NZ LYS A 4 -10.957 6.174 14.216 1.00 0.00 N ATOM 0 H LYS A 4 -15.314 10.901 10.713 1.00 0.00 H new ATOM 0 HA LYS A 4 -12.415 10.351 10.344 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -14.367 8.340 11.566 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -12.751 7.960 11.005 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -11.858 9.747 12.621 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -13.482 9.899 13.262 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -12.733 8.271 14.743 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -13.230 7.188 13.458 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.829 7.432 12.505 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.409 8.219 14.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.125 5.682 13.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.841 6.303 15.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.809 5.606 14.033 1.00 0.00 H new ATOM 38 N ARG A 5 -13.167 9.606 8.065 1.00 0.00 N ATOM 39 CA ARG A 5 -13.640 9.220 6.699 1.00 0.00 C ATOM 40 C ARG A 5 -13.497 7.709 6.490 1.00 0.00 C ATOM 41 O ARG A 5 -12.612 7.074 7.030 1.00 0.00 O ATOM 42 CB ARG A 5 -12.810 9.959 5.641 1.00 0.00 C ATOM 43 CG ARG A 5 -13.304 9.574 4.243 1.00 0.00 C ATOM 44 CD ARG A 5 -12.652 10.484 3.196 1.00 0.00 C ATOM 45 NE ARG A 5 -12.983 11.923 3.480 1.00 0.00 N ATOM 46 CZ ARG A 5 -14.217 12.352 3.532 1.00 0.00 C ATOM 47 NH1 ARG A 5 -15.206 11.581 3.172 1.00 0.00 N ATOM 48 NH2 ARG A 5 -14.461 13.581 3.900 1.00 0.00 N ATOM 0 H ARG A 5 -12.204 9.940 8.109 1.00 0.00 H new ATOM 0 HA ARG A 5 -14.691 9.493 6.603 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -12.895 11.036 5.784 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -11.755 9.705 5.748 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -13.061 8.532 4.035 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -14.389 9.664 4.192 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -11.571 10.344 3.204 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -13.001 10.213 2.200 1.00 0.00 H new ATOM 0 HE ARG A 5 -12.222 12.584 3.637 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -15.021 10.633 2.846 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -16.165 11.927 3.217 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -13.690 14.202 4.146 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -15.422 13.920 3.942 1.00 0.00 H new ATOM 62 N ARG A 6 -14.377 7.132 5.707 1.00 0.00 N ATOM 63 CA ARG A 6 -14.329 5.656 5.440 1.00 0.00 C ATOM 64 C ARG A 6 -14.479 5.387 3.939 1.00 0.00 C ATOM 65 O ARG A 6 -14.863 6.252 3.176 1.00 0.00 O ATOM 66 CB ARG A 6 -15.478 4.971 6.178 1.00 0.00 C ATOM 67 CG ARG A 6 -15.181 4.942 7.674 1.00 0.00 C ATOM 68 CD ARG A 6 -16.453 4.593 8.443 1.00 0.00 C ATOM 69 NE ARG A 6 -17.454 5.687 8.275 1.00 0.00 N ATOM 70 CZ ARG A 6 -18.705 5.481 8.584 1.00 0.00 C ATOM 71 NH1 ARG A 6 -19.082 4.313 9.034 1.00 0.00 N ATOM 72 NH2 ARG A 6 -19.578 6.440 8.436 1.00 0.00 N ATOM 0 H ARG A 6 -15.135 7.625 5.236 1.00 0.00 H new ATOM 0 HA ARG A 6 -13.372 5.266 5.786 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -16.411 5.503 5.993 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -15.610 3.956 5.804 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -14.403 4.209 7.886 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -14.802 5.911 7.999 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -16.864 3.651 8.079 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -16.225 4.454 9.500 1.00 0.00 H new ATOM 0 HE ARG A 6 -17.160 6.596 7.918 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -18.399 3.564 9.143 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -20.060 4.151 9.276 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -19.282 7.349 8.079 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -20.556 6.281 8.677 1.00 0.00 H new ATOM 86 N ASP A 7 -14.179 4.185 3.518 1.00 0.00 N ATOM 87 CA ASP A 7 -14.294 3.821 2.069 1.00 0.00 C ATOM 88 C ASP A 7 -15.621 3.084 1.818 1.00 0.00 C ATOM 89 O ASP A 7 -16.526 3.122 2.628 1.00 0.00 O ATOM 90 CB ASP A 7 -13.116 2.914 1.693 1.00 0.00 C ATOM 91 CG ASP A 7 -11.857 3.756 1.488 1.00 0.00 C ATOM 92 OD1 ASP A 7 -11.938 4.961 1.659 1.00 0.00 O ATOM 93 OD2 ASP A 7 -10.834 3.180 1.156 1.00 0.00 O ATOM 0 H ASP A 7 -13.855 3.430 4.122 1.00 0.00 H new ATOM 0 HA ASP A 7 -14.275 4.724 1.459 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -12.948 2.177 2.479 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -13.347 2.362 0.782 1.00 0.00 H new ATOM 98 N ASN A 8 -15.747 2.424 0.691 1.00 0.00 N ATOM 99 CA ASN A 8 -17.019 1.697 0.379 1.00 0.00 C ATOM 100 C ASN A 8 -17.195 0.493 1.312 1.00 0.00 C ATOM 101 O ASN A 8 -18.257 -0.092 1.378 1.00 0.00 O ATOM 102 CB ASN A 8 -16.997 1.211 -1.075 1.00 0.00 C ATOM 103 CG ASN A 8 -15.820 0.253 -1.286 1.00 0.00 C ATOM 104 OD1 ASN A 8 -15.773 -0.805 -0.690 1.00 0.00 O ATOM 105 ND2 ASN A 8 -14.864 0.576 -2.118 1.00 0.00 N ATOM 0 H ASN A 8 -15.024 2.357 -0.026 1.00 0.00 H new ATOM 0 HA ASN A 8 -17.853 2.384 0.525 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -17.934 0.708 -1.314 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -16.911 2.062 -1.751 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -14.080 -0.060 -2.266 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -14.902 1.464 -2.619 1.00 0.00 H new ATOM 112 N ARG A 9 -16.171 0.112 2.029 1.00 0.00 N ATOM 113 CA ARG A 9 -16.292 -1.062 2.950 1.00 0.00 C ATOM 114 C ARG A 9 -16.605 -0.564 4.368 1.00 0.00 C ATOM 115 O ARG A 9 -16.864 -1.343 5.265 1.00 0.00 O ATOM 116 CB ARG A 9 -14.962 -1.845 2.949 1.00 0.00 C ATOM 117 CG ARG A 9 -14.968 -2.927 1.848 1.00 0.00 C ATOM 118 CD ARG A 9 -15.565 -4.222 2.417 1.00 0.00 C ATOM 119 NE ARG A 9 -15.585 -5.293 1.366 1.00 0.00 N ATOM 120 CZ ARG A 9 -16.276 -5.165 0.267 1.00 0.00 C ATOM 121 NH1 ARG A 9 -17.052 -4.133 0.093 1.00 0.00 N ATOM 122 NH2 ARG A 9 -16.217 -6.098 -0.646 1.00 0.00 N ATOM 0 H ARG A 9 -15.255 0.561 2.018 1.00 0.00 H new ATOM 0 HA ARG A 9 -17.096 -1.717 2.615 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -14.130 -1.159 2.788 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -14.807 -2.310 3.922 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -15.552 -2.589 0.992 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -13.954 -3.106 1.491 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -14.979 -4.555 3.274 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -16.577 -4.037 2.776 1.00 0.00 H new ATOM 0 HE ARG A 9 -15.043 -6.144 1.515 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -17.122 -3.419 0.818 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -17.590 -4.039 -0.769 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -15.633 -6.921 -0.497 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -16.755 -6.003 -1.507 1.00 0.00 H new ATOM 136 N GLY A 10 -16.600 0.723 4.574 1.00 0.00 N ATOM 137 CA GLY A 10 -16.916 1.254 5.929 1.00 0.00 C ATOM 138 C GLY A 10 -15.703 1.109 6.852 1.00 0.00 C ATOM 139 O GLY A 10 -15.738 1.504 8.001 1.00 0.00 O ATOM 0 H GLY A 10 -16.392 1.428 3.866 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -17.204 2.303 5.858 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -17.767 0.717 6.348 1.00 0.00 H new ATOM 143 N ARG A 11 -14.627 0.542 6.373 1.00 0.00 N ATOM 144 CA ARG A 11 -13.428 0.376 7.245 1.00 0.00 C ATOM 145 C ARG A 11 -12.624 1.679 7.254 1.00 0.00 C ATOM 146 O ARG A 11 -12.433 2.309 6.236 1.00 0.00 O ATOM 147 CB ARG A 11 -12.563 -0.777 6.709 1.00 0.00 C ATOM 148 CG ARG A 11 -11.857 -0.358 5.392 1.00 0.00 C ATOM 149 CD ARG A 11 -11.677 -1.566 4.457 1.00 0.00 C ATOM 150 NE ARG A 11 -10.665 -2.506 5.005 1.00 0.00 N ATOM 151 CZ ARG A 11 -10.632 -3.739 4.585 1.00 0.00 C ATOM 152 NH1 ARG A 11 -11.495 -4.151 3.697 1.00 0.00 N ATOM 153 NH2 ARG A 11 -9.740 -4.559 5.054 1.00 0.00 N ATOM 0 H ARG A 11 -14.527 0.189 5.421 1.00 0.00 H new ATOM 0 HA ARG A 11 -13.740 0.143 8.263 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.819 -1.058 7.454 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -13.185 -1.655 6.532 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.443 0.412 4.890 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.885 0.079 5.619 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.629 -2.081 4.332 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.367 -1.225 3.469 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.998 -2.187 5.708 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.197 -3.508 3.331 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.468 -5.116 3.369 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.067 -4.237 5.750 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.713 -5.525 4.726 1.00 0.00 H new ATOM 167 N ILE A 12 -12.169 2.096 8.405 1.00 0.00 N ATOM 168 CA ILE A 12 -11.398 3.367 8.484 1.00 0.00 C ATOM 169 C ILE A 12 -9.931 3.114 8.146 1.00 0.00 C ATOM 170 O ILE A 12 -9.198 2.512 8.907 1.00 0.00 O ATOM 171 CB ILE A 12 -11.483 3.932 9.901 1.00 0.00 C ATOM 172 CG1 ILE A 12 -12.946 4.183 10.259 1.00 0.00 C ATOM 173 CG2 ILE A 12 -10.711 5.251 9.970 1.00 0.00 C ATOM 174 CD1 ILE A 12 -13.064 4.469 11.755 1.00 0.00 C ATOM 0 H ILE A 12 -12.299 1.611 9.293 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.821 4.076 7.772 1.00 0.00 H new ATOM 0 HB ILE A 12 -11.051 3.219 10.604 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -13.332 5.026 9.686 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -13.550 3.315 9.995 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -10.771 5.655 10.981 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.667 5.076 9.711 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -11.144 5.963 9.268 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -14.109 4.648 12.010 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -12.694 3.613 12.319 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -12.473 5.350 12.005 1.00 0.00 H new ATOM 186 N LEU A 13 -9.493 3.604 7.024 1.00 0.00 N ATOM 187 CA LEU A 13 -8.062 3.442 6.641 1.00 0.00 C ATOM 188 C LEU A 13 -7.306 4.637 7.229 1.00 0.00 C ATOM 189 O LEU A 13 -7.903 5.630 7.593 1.00 0.00 O ATOM 190 CB LEU A 13 -7.928 3.430 5.107 1.00 0.00 C ATOM 191 CG LEU A 13 -9.035 4.300 4.468 1.00 0.00 C ATOM 192 CD1 LEU A 13 -8.526 4.925 3.165 1.00 0.00 C ATOM 193 CD2 LEU A 13 -10.263 3.434 4.162 1.00 0.00 C ATOM 0 H LEU A 13 -10.066 4.113 6.350 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.658 2.503 7.019 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.947 3.806 4.817 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.999 2.407 4.736 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.307 5.090 5.168 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.313 5.536 2.723 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.658 5.549 3.376 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.245 4.135 2.468 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -11.040 4.051 3.712 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.984 2.639 3.470 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.638 2.995 5.086 1.00 0.00 H new ATOM 205 N LYS A 14 -6.010 4.554 7.350 1.00 0.00 N ATOM 206 CA LYS A 14 -5.253 5.694 7.939 1.00 0.00 C ATOM 207 C LYS A 14 -4.843 6.688 6.859 1.00 0.00 C ATOM 208 O LYS A 14 -5.207 6.580 5.705 1.00 0.00 O ATOM 209 CB LYS A 14 -3.998 5.183 8.637 1.00 0.00 C ATOM 210 CG LYS A 14 -4.400 4.287 9.807 1.00 0.00 C ATOM 211 CD LYS A 14 -3.141 3.798 10.534 1.00 0.00 C ATOM 212 CE LYS A 14 -3.502 3.365 11.950 1.00 0.00 C ATOM 213 NZ LYS A 14 -2.336 2.665 12.556 1.00 0.00 N ATOM 0 H LYS A 14 -5.446 3.752 7.069 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.903 6.193 8.658 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.378 4.626 7.934 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.400 6.021 8.995 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.040 4.837 10.497 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.978 3.436 9.445 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.696 2.964 9.991 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.395 4.593 10.565 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.774 4.233 12.551 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.369 2.705 11.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.575 2.366 13.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.097 1.830 11.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.520 3.310 12.584 1.00 0.00 H new ATOM 227 N THR A 15 -4.079 7.657 7.260 1.00 0.00 N ATOM 228 CA THR A 15 -3.592 8.711 6.320 1.00 0.00 C ATOM 229 C THR A 15 -2.851 8.093 5.130 1.00 0.00 C ATOM 230 O THR A 15 -2.404 6.965 5.174 1.00 0.00 O ATOM 231 CB THR A 15 -2.637 9.647 7.067 1.00 0.00 C ATOM 232 OG1 THR A 15 -1.922 10.439 6.130 1.00 0.00 O ATOM 233 CG2 THR A 15 -1.655 8.817 7.899 1.00 0.00 C ATOM 0 H THR A 15 -3.761 7.771 8.222 1.00 0.00 H new ATOM 0 HA THR A 15 -4.455 9.261 5.944 1.00 0.00 H new ATOM 0 HB THR A 15 -3.208 10.299 7.729 1.00 0.00 H new ATOM 0 HG1 THR A 15 -1.312 11.039 6.607 1.00 0.00 H new ATOM 0 HG21 THR A 15 -0.975 9.483 8.431 1.00 0.00 H new ATOM 0 HG22 THR A 15 -2.208 8.213 8.618 1.00 0.00 H new ATOM 0 HG23 THR A 15 -1.082 8.164 7.241 1.00 0.00 H new ATOM 241 N GLY A 16 -2.695 8.856 4.078 1.00 0.00 N ATOM 242 CA GLY A 16 -1.952 8.369 2.882 1.00 0.00 C ATOM 243 C GLY A 16 -2.809 7.409 2.060 1.00 0.00 C ATOM 244 O GLY A 16 -2.753 7.405 0.847 1.00 0.00 O ATOM 0 H GLY A 16 -3.056 9.807 3.998 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.654 9.216 2.264 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.037 7.867 3.197 1.00 0.00 H new ATOM 248 N GLU A 17 -3.597 6.593 2.695 1.00 0.00 N ATOM 249 CA GLU A 17 -4.442 5.643 1.925 1.00 0.00 C ATOM 250 C GLU A 17 -5.592 6.407 1.269 1.00 0.00 C ATOM 251 O GLU A 17 -5.977 7.469 1.717 1.00 0.00 O ATOM 252 CB GLU A 17 -5.008 4.592 2.873 1.00 0.00 C ATOM 253 CG GLU A 17 -3.893 3.651 3.369 1.00 0.00 C ATOM 254 CD GLU A 17 -3.194 4.261 4.589 1.00 0.00 C ATOM 255 OE1 GLU A 17 -3.889 4.619 5.528 1.00 0.00 O ATOM 256 OE2 GLU A 17 -1.978 4.354 4.567 1.00 0.00 O ATOM 0 H GLU A 17 -3.693 6.542 3.709 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.841 5.157 1.156 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.484 5.080 3.723 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.780 4.014 2.365 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.315 2.680 3.629 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.169 3.481 2.572 1.00 0.00 H new ATOM 263 N SER A 18 -6.143 5.876 0.213 1.00 0.00 N ATOM 264 CA SER A 18 -7.267 6.574 -0.476 1.00 0.00 C ATOM 265 C SER A 18 -8.090 5.554 -1.270 1.00 0.00 C ATOM 266 O SER A 18 -7.613 4.489 -1.607 1.00 0.00 O ATOM 267 CB SER A 18 -6.699 7.620 -1.435 1.00 0.00 C ATOM 268 OG SER A 18 -5.909 8.550 -0.705 1.00 0.00 O ATOM 0 H SER A 18 -5.864 4.988 -0.204 1.00 0.00 H new ATOM 0 HA SER A 18 -7.903 7.060 0.264 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.095 7.136 -2.202 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.510 8.138 -1.947 1.00 0.00 H new ATOM 0 HG SER A 18 -6.126 8.486 0.249 1.00 0.00 H new ATOM 274 N GLN A 19 -9.322 5.873 -1.581 1.00 0.00 N ATOM 275 CA GLN A 19 -10.172 4.921 -2.363 1.00 0.00 C ATOM 276 C GLN A 19 -10.123 5.316 -3.834 1.00 0.00 C ATOM 277 O GLN A 19 -10.239 6.475 -4.174 1.00 0.00 O ATOM 278 CB GLN A 19 -11.618 5.009 -1.875 1.00 0.00 C ATOM 279 CG GLN A 19 -12.469 3.962 -2.601 1.00 0.00 C ATOM 280 CD GLN A 19 -13.868 3.910 -1.981 1.00 0.00 C ATOM 281 OE1 GLN A 19 -14.856 3.411 -2.674 1.00 0.00 O flip ATOM 282 NE2 GLN A 19 -14.064 4.323 -0.858 1.00 0.00 N flip ATOM 0 H GLN A 19 -9.776 6.751 -1.328 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.803 3.904 -2.231 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.660 4.844 -0.798 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -12.015 6.007 -2.060 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.540 4.209 -3.660 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.994 2.983 -2.533 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -13.293 4.713 -0.316 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -15.000 4.281 -0.455 1.00 0.00 H new ATOM 291 N ARG A 20 -9.951 4.373 -4.718 1.00 0.00 N ATOM 292 CA ARG A 20 -9.898 4.730 -6.162 1.00 0.00 C ATOM 293 C ARG A 20 -11.320 4.766 -6.729 1.00 0.00 C ATOM 294 O ARG A 20 -12.242 4.205 -6.169 1.00 0.00 O ATOM 295 CB ARG A 20 -9.060 3.700 -6.929 1.00 0.00 C ATOM 296 CG ARG A 20 -8.501 4.333 -8.212 1.00 0.00 C ATOM 297 CD ARG A 20 -7.964 3.242 -9.141 1.00 0.00 C ATOM 298 NE ARG A 20 -7.451 3.865 -10.397 1.00 0.00 N ATOM 299 CZ ARG A 20 -6.653 3.190 -11.184 1.00 0.00 C ATOM 300 NH1 ARG A 20 -6.280 1.986 -10.854 1.00 0.00 N ATOM 301 NH2 ARG A 20 -6.229 3.721 -12.300 1.00 0.00 N ATOM 0 H ARG A 20 -9.846 3.381 -4.506 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.436 5.711 -6.272 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.242 3.344 -6.302 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.672 2.833 -7.177 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.282 4.901 -8.718 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.705 5.036 -7.964 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.167 2.688 -8.646 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.753 2.527 -9.373 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.723 4.817 -10.642 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.610 1.571 -9.983 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.658 1.459 -11.467 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.520 4.664 -12.559 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.607 3.193 -12.912 1.00 0.00 H new ATOM 315 N LYS A 21 -11.493 5.415 -7.841 1.00 0.00 N ATOM 316 CA LYS A 21 -12.838 5.500 -8.474 1.00 0.00 C ATOM 317 C LYS A 21 -13.409 4.084 -8.663 1.00 0.00 C ATOM 318 O LYS A 21 -14.594 3.859 -8.535 1.00 0.00 O ATOM 319 CB LYS A 21 -12.674 6.183 -9.840 1.00 0.00 C ATOM 320 CG LYS A 21 -14.000 6.798 -10.307 1.00 0.00 C ATOM 321 CD LYS A 21 -15.029 5.693 -10.645 1.00 0.00 C ATOM 322 CE LYS A 21 -15.938 6.161 -11.788 1.00 0.00 C ATOM 323 NZ LYS A 21 -16.576 7.453 -11.410 1.00 0.00 N ATOM 0 H LYS A 21 -10.751 5.898 -8.347 1.00 0.00 H new ATOM 0 HA LYS A 21 -13.522 6.070 -7.846 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.912 6.959 -9.774 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.326 5.457 -10.575 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.399 7.447 -9.528 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.828 7.422 -11.184 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.512 4.777 -10.931 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -15.628 5.459 -9.765 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.358 6.282 -12.703 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.702 5.411 -11.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -17.393 7.631 -12.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -16.894 7.407 -10.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.887 8.225 -11.516 1.00 0.00 H new ATOM 337 N ASP A 22 -12.571 3.134 -8.981 1.00 0.00 N ATOM 338 CA ASP A 22 -13.068 1.742 -9.205 1.00 0.00 C ATOM 339 C ASP A 22 -13.236 1.012 -7.872 1.00 0.00 C ATOM 340 O ASP A 22 -14.032 0.100 -7.762 1.00 0.00 O ATOM 341 CB ASP A 22 -12.058 0.979 -10.065 1.00 0.00 C ATOM 342 CG ASP A 22 -11.942 1.651 -11.434 1.00 0.00 C ATOM 343 OD1 ASP A 22 -12.965 2.051 -11.965 1.00 0.00 O ATOM 344 OD2 ASP A 22 -10.830 1.761 -11.926 1.00 0.00 O ATOM 0 H ASP A 22 -11.565 3.259 -9.096 1.00 0.00 H new ATOM 0 HA ASP A 22 -14.034 1.791 -9.708 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.085 0.962 -9.573 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -12.374 -0.057 -10.183 1.00 0.00 H new ATOM 349 N GLY A 23 -12.510 1.407 -6.852 1.00 0.00 N ATOM 350 CA GLY A 23 -12.647 0.736 -5.519 1.00 0.00 C ATOM 351 C GLY A 23 -11.281 0.265 -5.005 1.00 0.00 C ATOM 352 O GLY A 23 -11.077 0.153 -3.813 1.00 0.00 O ATOM 0 H GLY A 23 -11.828 2.165 -6.885 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.092 1.427 -4.803 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.323 -0.115 -5.603 1.00 0.00 H new ATOM 356 N ARG A 24 -10.336 -0.017 -5.868 1.00 0.00 N ATOM 357 CA ARG A 24 -9.013 -0.475 -5.345 1.00 0.00 C ATOM 358 C ARG A 24 -8.444 0.625 -4.449 1.00 0.00 C ATOM 359 O ARG A 24 -8.689 1.796 -4.652 1.00 0.00 O ATOM 360 CB ARG A 24 -8.029 -0.799 -6.496 1.00 0.00 C ATOM 361 CG ARG A 24 -8.459 -0.103 -7.781 1.00 0.00 C ATOM 362 CD ARG A 24 -7.369 -0.285 -8.835 1.00 0.00 C ATOM 363 NE ARG A 24 -7.103 -1.739 -9.020 1.00 0.00 N ATOM 364 CZ ARG A 24 -6.428 -2.152 -10.058 1.00 0.00 C ATOM 365 NH1 ARG A 24 -5.979 -1.293 -10.930 1.00 0.00 N ATOM 366 NH2 ARG A 24 -6.195 -3.425 -10.219 1.00 0.00 N ATOM 0 H ARG A 24 -10.418 0.047 -6.883 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.151 -1.394 -4.775 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.023 -0.480 -6.222 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.989 -1.877 -6.655 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.401 -0.520 -8.138 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.630 0.957 -7.596 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.681 0.163 -9.779 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.458 0.227 -8.525 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.448 -2.412 -8.336 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.155 -0.297 -10.802 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.452 -1.617 -11.741 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.540 -4.097 -9.534 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.668 -3.748 -11.030 1.00 0.00 H new ATOM 380 N TYR A 25 -7.698 0.255 -3.448 1.00 0.00 N ATOM 381 CA TYR A 25 -7.123 1.274 -2.535 1.00 0.00 C ATOM 382 C TYR A 25 -5.788 1.756 -3.098 1.00 0.00 C ATOM 383 O TYR A 25 -5.208 1.136 -3.969 1.00 0.00 O ATOM 384 CB TYR A 25 -6.888 0.655 -1.158 1.00 0.00 C ATOM 385 CG TYR A 25 -8.180 0.077 -0.621 1.00 0.00 C ATOM 386 CD1 TYR A 25 -9.284 0.910 -0.390 1.00 0.00 C ATOM 387 CD2 TYR A 25 -8.273 -1.294 -0.344 1.00 0.00 C ATOM 388 CE1 TYR A 25 -10.475 0.372 0.113 1.00 0.00 C ATOM 389 CE2 TYR A 25 -9.463 -1.831 0.160 1.00 0.00 C ATOM 390 CZ TYR A 25 -10.564 -0.997 0.388 1.00 0.00 C ATOM 391 OH TYR A 25 -11.737 -1.526 0.884 1.00 0.00 O ATOM 0 H TYR A 25 -7.462 -0.712 -3.224 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.815 2.112 -2.446 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.131 -0.127 -1.226 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -6.505 1.410 -0.472 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -9.216 1.967 -0.600 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.424 -1.938 -0.520 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -11.325 1.014 0.289 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -9.532 -2.888 0.373 1.00 0.00 H new ATOM 0 HH TYR A 25 -11.630 -2.491 1.018 1.00 0.00 H new ATOM 401 N LEU A 26 -5.298 2.858 -2.603 1.00 0.00 N ATOM 402 CA LEU A 26 -4.000 3.401 -3.094 1.00 0.00 C ATOM 403 C LEU A 26 -3.281 4.117 -1.940 1.00 0.00 C ATOM 404 O LEU A 26 -3.879 4.844 -1.172 1.00 0.00 O ATOM 405 CB LEU A 26 -4.277 4.373 -4.262 1.00 0.00 C ATOM 406 CG LEU A 26 -3.084 5.345 -4.493 1.00 0.00 C ATOM 407 CD1 LEU A 26 -2.898 5.603 -5.996 1.00 0.00 C ATOM 408 CD2 LEU A 26 -3.355 6.685 -3.782 1.00 0.00 C ATOM 0 H LEU A 26 -5.745 3.411 -1.872 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.358 2.596 -3.451 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.465 3.804 -5.173 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.180 4.947 -4.052 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.180 4.891 -4.087 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.061 6.284 -6.147 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.695 4.660 -6.505 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.806 6.047 -6.404 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.516 7.361 -3.948 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.265 7.132 -4.182 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.476 6.512 -2.713 1.00 0.00 H new ATOM 420 N TYR A 27 -1.992 3.912 -1.830 1.00 0.00 N ATOM 421 CA TYR A 27 -1.186 4.565 -0.752 1.00 0.00 C ATOM 422 C TYR A 27 0.061 5.186 -1.399 1.00 0.00 C ATOM 423 O TYR A 27 0.410 4.849 -2.512 1.00 0.00 O ATOM 424 CB TYR A 27 -0.792 3.503 0.279 1.00 0.00 C ATOM 425 CG TYR A 27 0.119 4.094 1.330 1.00 0.00 C ATOM 426 CD1 TYR A 27 -0.406 4.899 2.349 1.00 0.00 C ATOM 427 CD2 TYR A 27 1.492 3.822 1.292 1.00 0.00 C ATOM 428 CE1 TYR A 27 0.442 5.435 3.327 1.00 0.00 C ATOM 429 CE2 TYR A 27 2.339 4.359 2.272 1.00 0.00 C ATOM 430 CZ TYR A 27 1.814 5.164 3.287 1.00 0.00 C ATOM 431 OH TYR A 27 2.649 5.695 4.251 1.00 0.00 O ATOM 0 H TYR A 27 -1.455 3.309 -2.453 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.756 5.345 -0.248 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.687 3.098 0.752 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.291 2.673 -0.219 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -1.465 5.107 2.381 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.898 3.199 0.509 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.037 6.057 4.111 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.398 4.150 2.243 1.00 0.00 H new ATOM 0 HH TYR A 27 3.571 5.409 4.079 1.00 0.00 H new ATOM 441 N LYS A 28 0.712 6.109 -0.732 1.00 0.00 N ATOM 442 CA LYS A 28 1.920 6.778 -1.330 1.00 0.00 C ATOM 443 C LYS A 28 3.126 6.653 -0.399 1.00 0.00 C ATOM 444 O LYS A 28 3.027 6.863 0.793 1.00 0.00 O ATOM 445 CB LYS A 28 1.604 8.264 -1.535 1.00 0.00 C ATOM 446 CG LYS A 28 2.815 9.002 -2.171 1.00 0.00 C ATOM 447 CD LYS A 28 3.506 9.907 -1.136 1.00 0.00 C ATOM 448 CE LYS A 28 4.823 10.444 -1.710 1.00 0.00 C ATOM 449 NZ LYS A 28 5.900 9.432 -1.513 1.00 0.00 N ATOM 0 H LYS A 28 0.461 6.431 0.203 1.00 0.00 H new ATOM 0 HA LYS A 28 2.159 6.297 -2.278 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.730 8.369 -2.177 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.354 8.723 -0.578 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.528 8.274 -2.558 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.479 9.601 -3.018 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.850 10.736 -0.869 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.699 9.347 -0.221 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.706 10.665 -2.771 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.093 11.378 -1.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.789 9.788 -1.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.028 9.255 -0.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.635 8.546 -1.988 1.00 0.00 H new ATOM 463 N TYR A 29 4.276 6.337 -0.948 1.00 0.00 N ATOM 464 CA TYR A 29 5.517 6.221 -0.116 1.00 0.00 C ATOM 465 C TYR A 29 6.689 6.835 -0.894 1.00 0.00 C ATOM 466 O TYR A 29 6.557 7.168 -2.056 1.00 0.00 O ATOM 467 CB TYR A 29 5.792 4.746 0.219 1.00 0.00 C ATOM 468 CG TYR A 29 6.387 4.016 -0.963 1.00 0.00 C ATOM 469 CD1 TYR A 29 5.579 3.665 -2.050 1.00 0.00 C ATOM 470 CD2 TYR A 29 7.744 3.670 -0.959 1.00 0.00 C ATOM 471 CE1 TYR A 29 6.129 2.977 -3.137 1.00 0.00 C ATOM 472 CE2 TYR A 29 8.292 2.981 -2.045 1.00 0.00 C ATOM 473 CZ TYR A 29 7.486 2.633 -3.133 1.00 0.00 C ATOM 474 OH TYR A 29 8.026 1.956 -4.206 1.00 0.00 O ATOM 0 H TYR A 29 4.409 6.153 -1.943 1.00 0.00 H new ATOM 0 HA TYR A 29 5.390 6.758 0.824 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.473 4.685 1.068 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.864 4.260 0.520 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.531 3.925 -2.050 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.367 3.935 -0.117 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.507 2.711 -3.979 1.00 0.00 H new ATOM 0 HE2 TYR A 29 9.339 2.717 -2.043 1.00 0.00 H new ATOM 0 HH TYR A 29 8.674 2.531 -4.663 1.00 0.00 H new ATOM 484 N ILE A 30 7.826 7.013 -0.262 1.00 0.00 N ATOM 485 CA ILE A 30 8.998 7.638 -0.966 1.00 0.00 C ATOM 486 C ILE A 30 10.008 6.563 -1.386 1.00 0.00 C ATOM 487 O ILE A 30 10.360 5.693 -0.616 1.00 0.00 O ATOM 488 CB ILE A 30 9.684 8.619 -0.006 1.00 0.00 C ATOM 489 CG1 ILE A 30 8.688 9.720 0.428 1.00 0.00 C ATOM 490 CG2 ILE A 30 10.911 9.242 -0.688 1.00 0.00 C ATOM 491 CD1 ILE A 30 8.605 10.846 -0.617 1.00 0.00 C ATOM 0 H ILE A 30 7.995 6.754 0.710 1.00 0.00 H new ATOM 0 HA ILE A 30 8.644 8.157 -1.857 1.00 0.00 H new ATOM 0 HB ILE A 30 10.013 8.080 0.883 1.00 0.00 H new ATOM 0 HG12 ILE A 30 7.700 9.282 0.573 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.997 10.134 1.388 1.00 0.00 H new ATOM 0 HG21 ILE A 30 11.394 9.938 -0.002 1.00 0.00 H new ATOM 0 HG22 ILE A 30 11.614 8.455 -0.962 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.597 9.776 -1.585 1.00 0.00 H new ATOM 0 HD11 ILE A 30 7.896 11.603 -0.281 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.588 11.299 -0.742 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.271 10.434 -1.570 1.00 0.00 H new ATOM 503 N ASP A 31 10.482 6.623 -2.606 1.00 0.00 N ATOM 504 CA ASP A 31 11.477 5.618 -3.078 1.00 0.00 C ATOM 505 C ASP A 31 12.885 6.054 -2.652 1.00 0.00 C ATOM 506 O ASP A 31 13.118 7.198 -2.316 1.00 0.00 O ATOM 507 CB ASP A 31 11.413 5.520 -4.603 1.00 0.00 C ATOM 508 CG ASP A 31 9.990 5.161 -5.031 1.00 0.00 C ATOM 509 OD1 ASP A 31 9.309 4.502 -4.262 1.00 0.00 O ATOM 510 OD2 ASP A 31 9.604 5.554 -6.119 1.00 0.00 O ATOM 0 H ASP A 31 10.220 7.328 -3.295 1.00 0.00 H new ATOM 0 HA ASP A 31 11.250 4.646 -2.640 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.711 6.467 -5.052 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.113 4.764 -4.959 1.00 0.00 H new ATOM 515 N SER A 32 13.823 5.147 -2.665 1.00 0.00 N ATOM 516 CA SER A 32 15.217 5.492 -2.264 1.00 0.00 C ATOM 517 C SER A 32 15.775 6.590 -3.179 1.00 0.00 C ATOM 518 O SER A 32 16.878 7.063 -2.986 1.00 0.00 O ATOM 519 CB SER A 32 16.098 4.246 -2.371 1.00 0.00 C ATOM 520 OG SER A 32 17.462 4.639 -2.422 1.00 0.00 O ATOM 0 H SER A 32 13.683 4.174 -2.938 1.00 0.00 H new ATOM 0 HA SER A 32 15.212 5.855 -1.236 1.00 0.00 H new ATOM 0 HB2 SER A 32 15.928 3.592 -1.516 1.00 0.00 H new ATOM 0 HB3 SER A 32 15.838 3.678 -3.264 1.00 0.00 H new ATOM 0 HG SER A 32 17.533 5.599 -2.238 1.00 0.00 H new ATOM 526 N PHE A 33 15.031 6.995 -4.182 1.00 0.00 N ATOM 527 CA PHE A 33 15.530 8.057 -5.115 1.00 0.00 C ATOM 528 C PHE A 33 14.890 9.406 -4.751 1.00 0.00 C ATOM 529 O PHE A 33 15.355 10.452 -5.159 1.00 0.00 O ATOM 530 CB PHE A 33 15.153 7.680 -6.548 1.00 0.00 C ATOM 531 CG PHE A 33 15.695 6.307 -6.880 1.00 0.00 C ATOM 532 CD1 PHE A 33 15.095 5.165 -6.331 1.00 0.00 C ATOM 533 CD2 PHE A 33 16.787 6.176 -7.747 1.00 0.00 C ATOM 534 CE1 PHE A 33 15.587 3.892 -6.647 1.00 0.00 C ATOM 535 CE2 PHE A 33 17.281 4.904 -8.062 1.00 0.00 C ATOM 536 CZ PHE A 33 16.682 3.764 -7.514 1.00 0.00 C ATOM 0 H PHE A 33 14.100 6.636 -4.395 1.00 0.00 H new ATOM 0 HA PHE A 33 16.613 8.141 -5.030 1.00 0.00 H new ATOM 0 HB2 PHE A 33 14.069 7.690 -6.662 1.00 0.00 H new ATOM 0 HB3 PHE A 33 15.554 8.417 -7.244 1.00 0.00 H new ATOM 0 HD1 PHE A 33 14.252 5.267 -5.663 1.00 0.00 H new ATOM 0 HD2 PHE A 33 17.248 7.055 -8.172 1.00 0.00 H new ATOM 0 HE1 PHE A 33 15.125 3.012 -6.224 1.00 0.00 H new ATOM 0 HE2 PHE A 33 18.125 4.803 -8.728 1.00 0.00 H new ATOM 0 HZ PHE A 33 17.064 2.784 -7.759 1.00 0.00 H new ATOM 546 N GLY A 34 13.841 9.395 -3.962 1.00 0.00 N ATOM 547 CA GLY A 34 13.189 10.681 -3.543 1.00 0.00 C ATOM 548 C GLY A 34 11.962 10.984 -4.409 1.00 0.00 C ATOM 549 O GLY A 34 11.302 11.989 -4.225 1.00 0.00 O ATOM 0 H GLY A 34 13.407 8.551 -3.589 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.893 10.618 -2.496 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.905 11.499 -3.623 1.00 0.00 H new ATOM 553 N GLU A 35 11.643 10.138 -5.347 1.00 0.00 N ATOM 554 CA GLU A 35 10.452 10.406 -6.211 1.00 0.00 C ATOM 555 C GLU A 35 9.178 9.914 -5.504 1.00 0.00 C ATOM 556 O GLU A 35 9.223 8.966 -4.748 1.00 0.00 O ATOM 557 CB GLU A 35 10.615 9.659 -7.536 1.00 0.00 C ATOM 558 CG GLU A 35 10.896 8.181 -7.260 1.00 0.00 C ATOM 559 CD GLU A 35 10.840 7.396 -8.570 1.00 0.00 C ATOM 560 OE1 GLU A 35 10.548 8.001 -9.587 1.00 0.00 O ATOM 561 OE2 GLU A 35 11.087 6.200 -8.533 1.00 0.00 O ATOM 0 H GLU A 35 12.149 9.277 -5.555 1.00 0.00 H new ATOM 0 HA GLU A 35 10.371 11.477 -6.397 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.711 9.762 -8.137 1.00 0.00 H new ATOM 0 HB3 GLU A 35 11.432 10.094 -8.112 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.876 8.067 -6.797 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.163 7.786 -6.556 1.00 0.00 H new ATOM 568 N PRO A 36 8.040 10.530 -5.755 1.00 0.00 N ATOM 569 CA PRO A 36 6.754 10.102 -5.135 1.00 0.00 C ATOM 570 C PRO A 36 6.149 8.918 -5.894 1.00 0.00 C ATOM 571 O PRO A 36 5.857 9.016 -7.069 1.00 0.00 O ATOM 572 CB PRO A 36 5.874 11.341 -5.275 1.00 0.00 C ATOM 573 CG PRO A 36 6.328 11.969 -6.554 1.00 0.00 C ATOM 574 CD PRO A 36 7.836 11.690 -6.651 1.00 0.00 C ATOM 0 HA PRO A 36 6.866 9.767 -4.104 1.00 0.00 H new ATOM 0 HB2 PRO A 36 4.817 11.077 -5.314 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.002 12.018 -4.431 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.797 11.545 -7.407 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.129 13.041 -6.555 1.00 0.00 H new ATOM 0 HD2 PRO A 36 8.136 11.463 -7.674 1.00 0.00 H new ATOM 0 HD3 PRO A 36 8.423 12.551 -6.331 1.00 0.00 H new ATOM 582 N GLN A 37 5.978 7.798 -5.242 1.00 0.00 N ATOM 583 CA GLN A 37 5.410 6.588 -5.923 1.00 0.00 C ATOM 584 C GLN A 37 4.056 6.249 -5.291 1.00 0.00 C ATOM 585 O GLN A 37 3.737 6.696 -4.212 1.00 0.00 O ATOM 586 CB GLN A 37 6.402 5.409 -5.733 1.00 0.00 C ATOM 587 CG GLN A 37 7.034 4.982 -7.069 1.00 0.00 C ATOM 588 CD GLN A 37 7.641 6.195 -7.778 1.00 0.00 C ATOM 589 OE1 GLN A 37 7.846 7.289 -7.104 1.00 0.00 O flip ATOM 590 NE2 GLN A 37 7.932 6.143 -8.957 1.00 0.00 N flip ATOM 0 H GLN A 37 6.209 7.665 -4.257 1.00 0.00 H new ATOM 0 HA GLN A 37 5.266 6.775 -6.987 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.187 5.701 -5.035 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.880 4.561 -5.289 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.805 4.232 -6.892 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.279 4.520 -7.705 1.00 0.00 H new ATOM 0 HE21 GLN A 37 7.771 5.285 -9.485 1.00 0.00 H new ATOM 0 HE22 GLN A 37 8.337 6.957 -9.419 1.00 0.00 H new ATOM 599 N PHE A 38 3.267 5.454 -5.962 1.00 0.00 N ATOM 600 CA PHE A 38 1.936 5.070 -5.417 1.00 0.00 C ATOM 601 C PHE A 38 1.741 3.569 -5.627 1.00 0.00 C ATOM 602 O PHE A 38 2.128 3.022 -6.640 1.00 0.00 O ATOM 603 CB PHE A 38 0.844 5.828 -6.173 1.00 0.00 C ATOM 604 CG PHE A 38 1.038 7.321 -6.018 1.00 0.00 C ATOM 605 CD1 PHE A 38 0.438 7.999 -4.950 1.00 0.00 C ATOM 606 CD2 PHE A 38 1.808 8.030 -6.954 1.00 0.00 C ATOM 607 CE1 PHE A 38 0.611 9.384 -4.813 1.00 0.00 C ATOM 608 CE2 PHE A 38 1.977 9.414 -6.816 1.00 0.00 C ATOM 609 CZ PHE A 38 1.379 10.090 -5.748 1.00 0.00 C ATOM 0 H PHE A 38 3.491 5.051 -6.872 1.00 0.00 H new ATOM 0 HA PHE A 38 1.880 5.313 -4.356 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.869 5.559 -7.229 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.137 5.540 -5.794 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.158 7.456 -4.232 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.270 7.509 -7.780 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.152 9.906 -3.987 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.570 9.959 -7.535 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.509 11.157 -5.644 1.00 0.00 H new ATOM 619 N VAL A 39 1.138 2.901 -4.678 1.00 0.00 N ATOM 620 CA VAL A 39 0.901 1.428 -4.804 1.00 0.00 C ATOM 621 C VAL A 39 -0.604 1.185 -4.962 1.00 0.00 C ATOM 622 O VAL A 39 -1.412 1.944 -4.473 1.00 0.00 O ATOM 623 CB VAL A 39 1.422 0.718 -3.532 1.00 0.00 C ATOM 624 CG1 VAL A 39 2.885 0.302 -3.723 1.00 0.00 C ATOM 625 CG2 VAL A 39 1.327 1.672 -2.336 1.00 0.00 C ATOM 0 H VAL A 39 0.795 3.316 -3.811 1.00 0.00 H new ATOM 0 HA VAL A 39 1.427 1.032 -5.672 1.00 0.00 H new ATOM 0 HB VAL A 39 0.814 -0.168 -3.350 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.242 -0.197 -2.822 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.962 -0.380 -4.570 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.493 1.187 -3.913 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.694 1.171 -1.441 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.931 2.559 -2.529 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.288 1.966 -2.187 1.00 0.00 H new ATOM 635 N TYR A 40 -0.978 0.127 -5.640 1.00 0.00 N ATOM 636 CA TYR A 40 -2.430 -0.193 -5.842 1.00 0.00 C ATOM 637 C TYR A 40 -2.706 -1.590 -5.295 1.00 0.00 C ATOM 638 O TYR A 40 -1.837 -2.439 -5.270 1.00 0.00 O ATOM 639 CB TYR A 40 -2.753 -0.187 -7.336 1.00 0.00 C ATOM 640 CG TYR A 40 -2.709 1.224 -7.865 1.00 0.00 C ATOM 641 CD1 TYR A 40 -3.855 2.023 -7.812 1.00 0.00 C ATOM 642 CD2 TYR A 40 -1.526 1.730 -8.414 1.00 0.00 C ATOM 643 CE1 TYR A 40 -3.819 3.330 -8.306 1.00 0.00 C ATOM 644 CE2 TYR A 40 -1.488 3.040 -8.911 1.00 0.00 C ATOM 645 CZ TYR A 40 -2.638 3.841 -8.858 1.00 0.00 C ATOM 646 OH TYR A 40 -2.606 5.131 -9.347 1.00 0.00 O ATOM 0 H TYR A 40 -0.333 -0.537 -6.068 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.041 0.549 -5.328 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -2.038 -0.809 -7.874 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -3.740 -0.617 -7.505 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.768 1.630 -7.389 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.642 1.111 -8.455 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -4.704 3.947 -8.262 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.575 3.432 -9.334 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.711 5.327 -9.693 1.00 0.00 H new ATOM 656 N SER A 41 -3.907 -1.838 -4.856 1.00 0.00 N ATOM 657 CA SER A 41 -4.235 -3.181 -4.310 1.00 0.00 C ATOM 658 C SER A 41 -5.739 -3.276 -4.058 1.00 0.00 C ATOM 659 O SER A 41 -6.386 -2.301 -3.734 1.00 0.00 O ATOM 660 CB SER A 41 -3.485 -3.381 -2.994 1.00 0.00 C ATOM 661 OG SER A 41 -3.920 -4.586 -2.382 1.00 0.00 O ATOM 0 H SER A 41 -4.676 -1.168 -4.852 1.00 0.00 H new ATOM 0 HA SER A 41 -3.940 -3.950 -5.023 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.411 -3.420 -3.177 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.664 -2.537 -2.328 1.00 0.00 H new ATOM 0 HG SER A 41 -3.858 -5.321 -3.027 1.00 0.00 H new ATOM 667 N TRP A 42 -6.302 -4.448 -4.191 1.00 0.00 N ATOM 668 CA TRP A 42 -7.762 -4.609 -3.942 1.00 0.00 C ATOM 669 C TRP A 42 -7.962 -4.995 -2.481 1.00 0.00 C ATOM 670 O TRP A 42 -9.036 -5.385 -2.072 1.00 0.00 O ATOM 671 CB TRP A 42 -8.306 -5.725 -4.832 1.00 0.00 C ATOM 672 CG TRP A 42 -8.299 -5.290 -6.259 1.00 0.00 C ATOM 673 CD1 TRP A 42 -7.384 -5.669 -7.177 1.00 0.00 C ATOM 674 CD2 TRP A 42 -9.241 -4.416 -6.951 1.00 0.00 C ATOM 675 NE1 TRP A 42 -7.698 -5.079 -8.386 1.00 0.00 N ATOM 676 CE2 TRP A 42 -8.835 -4.297 -8.299 1.00 0.00 C ATOM 677 CE3 TRP A 42 -10.394 -3.717 -6.543 1.00 0.00 C ATOM 678 CZ2 TRP A 42 -9.547 -3.520 -9.213 1.00 0.00 C ATOM 679 CZ3 TRP A 42 -11.115 -2.934 -7.461 1.00 0.00 C ATOM 680 CH2 TRP A 42 -10.690 -2.834 -8.793 1.00 0.00 C ATOM 0 H TRP A 42 -5.812 -5.301 -4.462 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.285 -3.679 -4.164 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.700 -6.623 -4.714 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.320 -5.983 -4.527 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -6.545 -6.325 -6.996 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -7.156 -5.205 -9.241 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -10.726 -3.783 -5.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -9.217 -3.449 -10.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -12.001 -2.407 -7.139 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -11.245 -2.228 -9.494 1.00 0.00 H new ATOM 691 N LYS A 43 -6.918 -4.904 -1.693 1.00 0.00 N ATOM 692 CA LYS A 43 -7.019 -5.277 -0.253 1.00 0.00 C ATOM 693 C LYS A 43 -6.319 -4.232 0.612 1.00 0.00 C ATOM 694 O LYS A 43 -5.319 -3.655 0.232 1.00 0.00 O ATOM 695 CB LYS A 43 -6.327 -6.623 -0.035 1.00 0.00 C ATOM 696 CG LYS A 43 -7.069 -7.714 -0.816 1.00 0.00 C ATOM 697 CD LYS A 43 -6.525 -9.108 -0.441 1.00 0.00 C ATOM 698 CE LYS A 43 -5.268 -9.433 -1.263 1.00 0.00 C ATOM 699 NZ LYS A 43 -4.429 -10.405 -0.510 1.00 0.00 N ATOM 0 H LYS A 43 -5.996 -4.585 -1.990 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.072 -5.336 0.023 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.289 -6.568 -0.364 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.312 -6.868 1.027 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.136 -7.663 -0.600 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.952 -7.547 -1.887 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.289 -9.139 0.623 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.290 -9.864 -0.620 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.549 -9.850 -2.230 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.702 -8.522 -1.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.510 -10.512 -0.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.279 -10.057 0.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.911 -11.326 -0.476 1.00 0.00 H new ATOM 713 N LEU A 44 -6.832 -4.009 1.789 1.00 0.00 N ATOM 714 CA LEU A 44 -6.206 -3.032 2.725 1.00 0.00 C ATOM 715 C LEU A 44 -5.309 -3.820 3.678 1.00 0.00 C ATOM 716 O LEU A 44 -4.217 -3.410 4.017 1.00 0.00 O ATOM 717 CB LEU A 44 -7.312 -2.312 3.509 1.00 0.00 C ATOM 718 CG LEU A 44 -6.711 -1.356 4.548 1.00 0.00 C ATOM 719 CD1 LEU A 44 -5.946 -0.222 3.850 1.00 0.00 C ATOM 720 CD2 LEU A 44 -7.844 -0.757 5.382 1.00 0.00 C ATOM 0 H LEU A 44 -7.669 -4.468 2.148 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.619 -2.287 2.187 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.948 -1.755 2.821 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.947 -3.045 4.007 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.021 -1.908 5.186 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.525 0.448 4.600 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.141 -0.643 3.247 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.628 0.335 3.207 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.428 -0.076 6.124 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.526 -0.211 4.730 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.386 -1.557 5.887 1.00 0.00 H new ATOM 732 N VAL A 45 -5.782 -4.963 4.097 1.00 0.00 N ATOM 733 CA VAL A 45 -5.002 -5.838 5.025 1.00 0.00 C ATOM 734 C VAL A 45 -4.877 -7.232 4.387 1.00 0.00 C ATOM 735 O VAL A 45 -5.608 -7.574 3.479 1.00 0.00 O ATOM 736 CB VAL A 45 -5.746 -5.939 6.361 1.00 0.00 C ATOM 737 CG1 VAL A 45 -5.789 -4.558 7.022 1.00 0.00 C ATOM 738 CG2 VAL A 45 -7.178 -6.424 6.118 1.00 0.00 C ATOM 0 H VAL A 45 -6.693 -5.336 3.831 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.009 -5.423 5.201 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.228 -6.645 7.010 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.318 -4.626 7.973 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.772 -4.206 7.197 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.308 -3.857 6.368 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.705 -6.495 7.070 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.696 -5.718 5.468 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.154 -7.405 5.643 1.00 0.00 H new ATOM 748 N ALA A 46 -3.942 -8.027 4.831 1.00 0.00 N ATOM 749 CA ALA A 46 -3.751 -9.386 4.227 1.00 0.00 C ATOM 750 C ALA A 46 -4.916 -10.323 4.575 1.00 0.00 C ATOM 751 O ALA A 46 -5.057 -11.382 3.996 1.00 0.00 O ATOM 752 CB ALA A 46 -2.454 -9.993 4.760 1.00 0.00 C ATOM 0 H ALA A 46 -3.298 -7.797 5.588 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.709 -9.274 3.144 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.309 -10.982 4.325 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.615 -9.352 4.491 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.512 -10.079 5.845 1.00 0.00 H new ATOM 758 N THR A 47 -5.736 -9.967 5.526 1.00 0.00 N ATOM 759 CA THR A 47 -6.865 -10.869 5.916 1.00 0.00 C ATOM 760 C THR A 47 -8.104 -10.606 5.048 1.00 0.00 C ATOM 761 O THR A 47 -9.128 -11.237 5.219 1.00 0.00 O ATOM 762 CB THR A 47 -7.211 -10.619 7.386 1.00 0.00 C ATOM 763 OG1 THR A 47 -7.595 -9.261 7.550 1.00 0.00 O ATOM 764 CG2 THR A 47 -5.988 -10.923 8.255 1.00 0.00 C ATOM 0 H THR A 47 -5.676 -9.094 6.050 1.00 0.00 H new ATOM 0 HA THR A 47 -6.557 -11.904 5.767 1.00 0.00 H new ATOM 0 HB THR A 47 -8.034 -11.267 7.688 1.00 0.00 H new ATOM 0 HG1 THR A 47 -7.819 -9.096 8.490 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.233 -10.745 9.302 1.00 0.00 H new ATOM 0 HG22 THR A 47 -5.697 -11.965 8.122 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.162 -10.275 7.960 1.00 0.00 H new ATOM 772 N ASP A 48 -8.030 -9.688 4.127 1.00 0.00 N ATOM 773 CA ASP A 48 -9.215 -9.407 3.264 1.00 0.00 C ATOM 774 C ASP A 48 -9.426 -10.552 2.266 1.00 0.00 C ATOM 775 O ASP A 48 -8.703 -11.527 2.256 1.00 0.00 O ATOM 776 CB ASP A 48 -8.995 -8.101 2.498 1.00 0.00 C ATOM 777 CG ASP A 48 -8.907 -6.944 3.493 1.00 0.00 C ATOM 778 OD1 ASP A 48 -9.422 -7.093 4.589 1.00 0.00 O ATOM 779 OD2 ASP A 48 -8.324 -5.930 3.143 1.00 0.00 O ATOM 0 H ASP A 48 -7.205 -9.121 3.933 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.098 -9.317 3.897 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.080 -8.160 1.909 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.814 -7.933 1.798 1.00 0.00 H new ATOM 784 N ARG A 49 -10.420 -10.427 1.421 1.00 0.00 N ATOM 785 CA ARG A 49 -10.708 -11.484 0.401 1.00 0.00 C ATOM 786 C ARG A 49 -11.123 -10.773 -0.895 1.00 0.00 C ATOM 787 O ARG A 49 -12.065 -10.005 -0.907 1.00 0.00 O ATOM 788 CB ARG A 49 -11.860 -12.377 0.918 1.00 0.00 C ATOM 789 CG ARG A 49 -11.722 -13.814 0.392 1.00 0.00 C ATOM 790 CD ARG A 49 -11.979 -13.860 -1.118 1.00 0.00 C ATOM 791 NE ARG A 49 -12.194 -15.280 -1.524 1.00 0.00 N ATOM 792 CZ ARG A 49 -12.699 -15.566 -2.694 1.00 0.00 C ATOM 793 NH1 ARG A 49 -12.976 -14.614 -3.544 1.00 0.00 N ATOM 794 NH2 ARG A 49 -12.915 -16.812 -3.016 1.00 0.00 N ATOM 0 H ARG A 49 -11.052 -9.627 1.394 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.836 -12.112 0.219 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.859 -12.383 2.008 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -12.817 -11.961 0.603 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.723 -14.192 0.608 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.428 -14.465 0.907 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.852 -13.258 -1.371 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.132 -13.437 -1.658 1.00 0.00 H new ATOM 0 HE ARG A 49 -11.945 -16.033 -0.883 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.798 -13.641 -3.296 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -13.370 -14.844 -4.456 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -12.690 -17.556 -2.355 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -13.309 -17.042 -3.928 1.00 0.00 H new ATOM 808 N VAL A 50 -10.424 -10.985 -1.983 1.00 0.00 N ATOM 809 CA VAL A 50 -10.798 -10.269 -3.233 1.00 0.00 C ATOM 810 C VAL A 50 -12.055 -10.909 -3.849 1.00 0.00 C ATOM 811 O VAL A 50 -12.236 -12.109 -3.776 1.00 0.00 O ATOM 812 CB VAL A 50 -9.647 -10.334 -4.251 1.00 0.00 C ATOM 813 CG1 VAL A 50 -8.323 -9.964 -3.583 1.00 0.00 C ATOM 814 CG2 VAL A 50 -9.530 -11.743 -4.858 1.00 0.00 C ATOM 0 H VAL A 50 -9.624 -11.613 -2.056 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.001 -9.227 -2.986 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.866 -9.621 -5.046 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.519 -10.015 -4.317 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.387 -8.952 -3.184 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.118 -10.661 -2.771 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.709 -11.763 -5.575 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.338 -12.466 -4.065 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.460 -11.999 -5.365 1.00 0.00 H new ATOM 824 N PRO A 51 -12.902 -10.122 -4.478 1.00 0.00 N ATOM 825 CA PRO A 51 -14.140 -10.640 -5.129 1.00 0.00 C ATOM 826 C PRO A 51 -13.809 -11.455 -6.388 1.00 0.00 C ATOM 827 O PRO A 51 -12.773 -11.279 -7.000 1.00 0.00 O ATOM 828 CB PRO A 51 -14.926 -9.367 -5.482 1.00 0.00 C ATOM 829 CG PRO A 51 -13.885 -8.307 -5.632 1.00 0.00 C ATOM 830 CD PRO A 51 -12.787 -8.657 -4.627 1.00 0.00 C ATOM 0 HA PRO A 51 -14.701 -11.317 -4.485 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -15.495 -9.496 -6.403 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.640 -9.113 -4.699 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -13.492 -8.286 -6.649 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -14.300 -7.320 -5.430 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -11.802 -8.368 -4.993 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.936 -8.145 -3.676 1.00 0.00 H new ATOM 838 N ALA A 52 -14.681 -12.345 -6.770 1.00 0.00 N ATOM 839 CA ALA A 52 -14.427 -13.181 -7.980 1.00 0.00 C ATOM 840 C ALA A 52 -13.915 -12.312 -9.129 1.00 0.00 C ATOM 841 O ALA A 52 -14.227 -11.142 -9.224 1.00 0.00 O ATOM 842 CB ALA A 52 -15.729 -13.865 -8.402 1.00 0.00 C ATOM 0 H ALA A 52 -15.564 -12.532 -6.295 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.672 -13.930 -7.742 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -15.549 -14.477 -9.286 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -16.088 -14.497 -7.590 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -16.480 -13.109 -8.632 1.00 0.00 H new ATOM 848 N GLY A 53 -13.136 -12.886 -10.009 1.00 0.00 N ATOM 849 CA GLY A 53 -12.600 -12.111 -11.170 1.00 0.00 C ATOM 850 C GLY A 53 -11.174 -11.642 -10.870 1.00 0.00 C ATOM 851 O GLY A 53 -10.326 -11.610 -11.741 1.00 0.00 O ATOM 0 H GLY A 53 -12.846 -13.863 -9.974 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.607 -12.731 -12.067 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.240 -11.252 -11.371 1.00 0.00 H new ATOM 855 N LYS A 54 -10.898 -11.278 -9.644 1.00 0.00 N ATOM 856 CA LYS A 54 -9.530 -10.809 -9.286 1.00 0.00 C ATOM 857 C LYS A 54 -8.710 -12.003 -8.790 1.00 0.00 C ATOM 858 O LYS A 54 -9.234 -12.912 -8.176 1.00 0.00 O ATOM 859 CB LYS A 54 -9.650 -9.765 -8.174 1.00 0.00 C ATOM 860 CG LYS A 54 -10.834 -8.841 -8.467 1.00 0.00 C ATOM 861 CD LYS A 54 -10.700 -8.270 -9.879 1.00 0.00 C ATOM 862 CE LYS A 54 -11.666 -7.097 -10.052 1.00 0.00 C ATOM 863 NZ LYS A 54 -11.675 -6.673 -11.482 1.00 0.00 N ATOM 0 H LYS A 54 -11.566 -11.286 -8.873 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.037 -10.368 -10.152 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.789 -10.258 -7.212 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.730 -9.184 -8.105 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.770 -9.392 -8.374 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.866 -8.032 -7.738 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.676 -7.940 -10.053 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.915 -9.043 -10.617 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.669 -7.388 -9.741 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.364 -6.265 -9.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.331 -5.875 -11.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.718 -6.380 -11.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.983 -7.468 -12.078 1.00 0.00 H new ATOM 877 N ARG A 55 -7.437 -12.015 -9.057 1.00 0.00 N ATOM 878 CA ARG A 55 -6.592 -13.152 -8.604 1.00 0.00 C ATOM 879 C ARG A 55 -6.276 -13.005 -7.122 1.00 0.00 C ATOM 880 O ARG A 55 -7.058 -13.353 -6.262 1.00 0.00 O ATOM 881 CB ARG A 55 -5.279 -13.170 -9.411 1.00 0.00 C ATOM 882 CG ARG A 55 -5.512 -13.720 -10.837 1.00 0.00 C ATOM 883 CD ARG A 55 -5.997 -12.600 -11.785 1.00 0.00 C ATOM 884 NE ARG A 55 -7.071 -13.139 -12.680 1.00 0.00 N ATOM 885 CZ ARG A 55 -6.916 -14.266 -13.321 1.00 0.00 C ATOM 886 NH1 ARG A 55 -5.759 -14.871 -13.326 1.00 0.00 N ATOM 887 NH2 ARG A 55 -7.911 -14.769 -14.002 1.00 0.00 N ATOM 0 H ARG A 55 -6.943 -11.285 -9.571 1.00 0.00 H new ATOM 0 HA ARG A 55 -7.132 -14.085 -8.764 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -4.870 -12.161 -9.469 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -4.540 -13.785 -8.897 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -4.588 -14.152 -11.220 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.250 -14.522 -10.806 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -6.378 -11.758 -11.207 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -5.164 -12.227 -12.381 1.00 0.00 H new ATOM 0 HE ARG A 55 -7.940 -12.616 -12.791 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -4.968 -14.464 -12.827 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -5.646 -15.751 -13.829 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.806 -14.281 -14.032 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -7.792 -15.649 -14.504 1.00 0.00 H new ATOM 901 N ASP A 56 -5.121 -12.510 -6.832 1.00 0.00 N ATOM 902 CA ASP A 56 -4.698 -12.341 -5.415 1.00 0.00 C ATOM 903 C ASP A 56 -3.432 -11.481 -5.366 1.00 0.00 C ATOM 904 O ASP A 56 -2.553 -11.612 -6.192 1.00 0.00 O ATOM 905 CB ASP A 56 -4.408 -13.721 -4.820 1.00 0.00 C ATOM 906 CG ASP A 56 -3.997 -13.579 -3.355 1.00 0.00 C ATOM 907 OD1 ASP A 56 -3.898 -12.453 -2.896 1.00 0.00 O ATOM 908 OD2 ASP A 56 -3.788 -14.598 -2.717 1.00 0.00 O ATOM 0 H ASP A 56 -4.434 -12.208 -7.523 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.487 -11.852 -4.843 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.292 -14.354 -4.899 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.614 -14.210 -5.384 1.00 0.00 H new ATOM 913 N CYS A 57 -3.330 -10.595 -4.409 1.00 0.00 N ATOM 914 CA CYS A 57 -2.123 -9.726 -4.316 1.00 0.00 C ATOM 915 C CYS A 57 -1.855 -9.400 -2.852 1.00 0.00 C ATOM 916 O CYS A 57 -2.660 -9.673 -1.985 1.00 0.00 O ATOM 917 CB CYS A 57 -2.355 -8.430 -5.098 1.00 0.00 C ATOM 918 SG CYS A 57 -3.886 -7.642 -4.540 1.00 0.00 S ATOM 0 H CYS A 57 -4.033 -10.437 -3.687 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.265 -10.247 -4.740 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.513 -7.752 -4.954 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.414 -8.644 -6.165 1.00 0.00 H new ATOM 0 HG CYS A 57 -4.076 -6.542 -5.206 1.00 0.00 H new ATOM 924 N ILE A 58 -0.722 -8.832 -2.571 1.00 0.00 N ATOM 925 CA ILE A 58 -0.380 -8.500 -1.164 1.00 0.00 C ATOM 926 C ILE A 58 -1.022 -7.167 -0.760 1.00 0.00 C ATOM 927 O ILE A 58 -1.056 -6.220 -1.523 1.00 0.00 O ATOM 928 CB ILE A 58 1.139 -8.420 -1.050 1.00 0.00 C ATOM 929 CG1 ILE A 58 1.730 -9.789 -1.397 1.00 0.00 C ATOM 930 CG2 ILE A 58 1.528 -8.043 0.375 1.00 0.00 C ATOM 931 CD1 ILE A 58 3.240 -9.659 -1.603 1.00 0.00 C ATOM 0 H ILE A 58 -0.012 -8.581 -3.259 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.762 -9.269 -0.493 1.00 0.00 H new ATOM 0 HB ILE A 58 1.522 -7.664 -1.735 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.522 -10.499 -0.597 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.262 -10.180 -2.300 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.614 -7.987 0.453 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.095 -7.075 0.626 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.153 -8.798 1.066 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.659 -10.635 -1.850 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.437 -8.963 -2.418 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.701 -9.287 -0.688 1.00 0.00 H new ATOM 943 N SER A 59 -1.539 -7.105 0.439 1.00 0.00 N ATOM 944 CA SER A 59 -2.200 -5.860 0.936 1.00 0.00 C ATOM 945 C SER A 59 -1.208 -4.693 0.956 1.00 0.00 C ATOM 946 O SER A 59 -0.017 -4.872 0.790 1.00 0.00 O ATOM 947 CB SER A 59 -2.699 -6.114 2.354 1.00 0.00 C ATOM 948 OG SER A 59 -1.581 -6.277 3.220 1.00 0.00 O ATOM 0 H SER A 59 -1.531 -7.877 1.106 1.00 0.00 H new ATOM 0 HA SER A 59 -3.027 -5.602 0.274 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.316 -5.281 2.690 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.326 -7.005 2.378 1.00 0.00 H new ATOM 0 HG SER A 59 -1.896 -6.439 4.134 1.00 0.00 H new ATOM 954 N LEU A 60 -1.696 -3.498 1.165 1.00 0.00 N ATOM 955 CA LEU A 60 -0.789 -2.318 1.203 1.00 0.00 C ATOM 956 C LEU A 60 0.104 -2.393 2.448 1.00 0.00 C ATOM 957 O LEU A 60 1.310 -2.304 2.364 1.00 0.00 O ATOM 958 CB LEU A 60 -1.624 -1.026 1.255 1.00 0.00 C ATOM 959 CG LEU A 60 -2.445 -0.874 -0.037 1.00 0.00 C ATOM 960 CD1 LEU A 60 -3.445 0.279 0.126 1.00 0.00 C ATOM 961 CD2 LEU A 60 -1.517 -0.587 -1.234 1.00 0.00 C ATOM 0 H LEU A 60 -2.684 -3.291 1.311 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.167 -2.316 0.308 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.290 -1.049 2.118 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.968 -0.165 1.382 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.982 -1.804 -0.225 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.027 0.388 -0.789 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.115 0.065 0.959 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.904 1.204 0.324 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.114 -0.482 -2.140 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.966 0.336 -1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.814 -1.411 -1.356 1.00 0.00 H new ATOM 973 N ARG A 61 -0.473 -2.553 3.606 1.00 0.00 N ATOM 974 CA ARG A 61 0.359 -2.612 4.846 1.00 0.00 C ATOM 975 C ARG A 61 1.546 -3.566 4.641 1.00 0.00 C ATOM 976 O ARG A 61 2.672 -3.233 4.957 1.00 0.00 O ATOM 977 CB ARG A 61 -0.495 -3.095 6.035 1.00 0.00 C ATOM 978 CG ARG A 61 -1.849 -2.352 6.100 1.00 0.00 C ATOM 979 CD ARG A 61 -1.646 -0.882 6.487 1.00 0.00 C ATOM 980 NE ARG A 61 -2.949 -0.148 6.424 1.00 0.00 N ATOM 981 CZ ARG A 61 -3.074 1.014 7.010 1.00 0.00 C ATOM 982 NH1 ARG A 61 -2.066 1.531 7.658 1.00 0.00 N ATOM 983 NH2 ARG A 61 -4.204 1.666 6.937 1.00 0.00 N ATOM 0 H ARG A 61 -1.479 -2.645 3.750 1.00 0.00 H new ATOM 0 HA ARG A 61 0.737 -1.612 5.060 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.671 -4.167 5.946 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.052 -2.938 6.965 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.349 -2.412 5.133 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.501 -2.837 6.827 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.231 -0.817 7.493 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.925 -0.417 5.814 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.740 -0.554 5.924 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.180 1.028 7.708 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.164 2.438 8.115 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -4.990 1.268 6.422 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.300 2.572 7.395 1.00 0.00 H new ATOM 997 N GLU A 62 1.325 -4.745 4.124 1.00 0.00 N ATOM 998 CA GLU A 62 2.470 -5.689 3.923 1.00 0.00 C ATOM 999 C GLU A 62 3.374 -5.209 2.772 1.00 0.00 C ATOM 1000 O GLU A 62 4.579 -5.322 2.838 1.00 0.00 O ATOM 1001 CB GLU A 62 1.945 -7.095 3.606 1.00 0.00 C ATOM 1002 CG GLU A 62 1.385 -7.748 4.874 1.00 0.00 C ATOM 1003 CD GLU A 62 1.149 -9.238 4.614 1.00 0.00 C ATOM 1004 OE1 GLU A 62 1.622 -9.725 3.602 1.00 0.00 O ATOM 1005 OE2 GLU A 62 0.503 -9.867 5.435 1.00 0.00 O ATOM 0 H GLU A 62 0.412 -5.096 3.834 1.00 0.00 H new ATOM 0 HA GLU A 62 3.054 -5.718 4.843 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.168 -7.038 2.844 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.748 -7.708 3.197 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.082 -7.618 5.702 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.452 -7.265 5.164 1.00 0.00 H new ATOM 1012 N LYS A 63 2.802 -4.688 1.717 1.00 0.00 N ATOM 1013 CA LYS A 63 3.641 -4.221 0.569 1.00 0.00 C ATOM 1014 C LYS A 63 4.506 -3.032 0.996 1.00 0.00 C ATOM 1015 O LYS A 63 5.658 -2.925 0.620 1.00 0.00 O ATOM 1016 CB LYS A 63 2.724 -3.788 -0.579 1.00 0.00 C ATOM 1017 CG LYS A 63 3.565 -3.492 -1.822 1.00 0.00 C ATOM 1018 CD LYS A 63 2.635 -3.158 -2.998 1.00 0.00 C ATOM 1019 CE LYS A 63 1.809 -4.396 -3.404 1.00 0.00 C ATOM 1020 NZ LYS A 63 0.497 -4.372 -2.697 1.00 0.00 N ATOM 0 H LYS A 63 1.796 -4.566 1.599 1.00 0.00 H new ATOM 0 HA LYS A 63 4.289 -5.036 0.246 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.000 -4.573 -0.796 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.157 -2.902 -0.291 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.239 -2.658 -1.629 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.186 -4.353 -2.068 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.967 -2.343 -2.720 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.224 -2.812 -3.848 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.653 -4.404 -4.483 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.352 -5.307 -3.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.337 -5.288 -2.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.501 -3.616 -1.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.264 -4.196 -3.384 1.00 0.00 H new ATOM 1034 N ILE A 64 3.964 -2.140 1.777 1.00 0.00 N ATOM 1035 CA ILE A 64 4.753 -0.956 2.222 1.00 0.00 C ATOM 1036 C ILE A 64 5.991 -1.432 3.006 1.00 0.00 C ATOM 1037 O ILE A 64 7.081 -0.927 2.820 1.00 0.00 O ATOM 1038 CB ILE A 64 3.847 -0.054 3.109 1.00 0.00 C ATOM 1039 CG1 ILE A 64 3.055 0.957 2.241 1.00 0.00 C ATOM 1040 CG2 ILE A 64 4.676 0.719 4.146 1.00 0.00 C ATOM 1041 CD1 ILE A 64 1.857 0.269 1.592 1.00 0.00 C ATOM 0 H ILE A 64 3.007 -2.179 2.127 1.00 0.00 H new ATOM 0 HA ILE A 64 5.092 -0.379 1.362 1.00 0.00 H new ATOM 0 HB ILE A 64 3.150 -0.711 3.628 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.716 1.789 2.858 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.705 1.374 1.472 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.015 1.340 4.750 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.201 0.014 4.790 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.401 1.352 3.634 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.309 0.989 0.985 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.205 -0.548 0.960 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.201 -0.126 2.367 1.00 0.00 H new ATOM 1053 N ALA A 65 5.832 -2.377 3.889 1.00 0.00 N ATOM 1054 CA ALA A 65 6.999 -2.859 4.685 1.00 0.00 C ATOM 1055 C ALA A 65 8.086 -3.430 3.766 1.00 0.00 C ATOM 1056 O ALA A 65 9.253 -3.147 3.928 1.00 0.00 O ATOM 1057 CB ALA A 65 6.541 -3.949 5.655 1.00 0.00 C ATOM 0 H ALA A 65 4.946 -2.838 4.095 1.00 0.00 H new ATOM 0 HA ALA A 65 7.412 -2.015 5.237 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.394 -4.301 6.236 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.786 -3.543 6.328 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.117 -4.781 5.093 1.00 0.00 H new ATOM 1063 N GLU A 66 7.722 -4.246 2.820 1.00 0.00 N ATOM 1064 CA GLU A 66 8.752 -4.842 1.918 1.00 0.00 C ATOM 1065 C GLU A 66 9.322 -3.785 0.959 1.00 0.00 C ATOM 1066 O GLU A 66 10.480 -3.837 0.596 1.00 0.00 O ATOM 1067 CB GLU A 66 8.114 -5.980 1.107 1.00 0.00 C ATOM 1068 CG GLU A 66 8.013 -7.240 1.974 1.00 0.00 C ATOM 1069 CD GLU A 66 7.123 -6.958 3.185 1.00 0.00 C ATOM 1070 OE1 GLU A 66 7.644 -6.466 4.173 1.00 0.00 O ATOM 1071 OE2 GLU A 66 5.941 -7.239 3.105 1.00 0.00 O ATOM 0 H GLU A 66 6.760 -4.528 2.630 1.00 0.00 H new ATOM 0 HA GLU A 66 9.569 -5.227 2.528 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.123 -5.683 0.763 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.711 -6.185 0.219 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.601 -8.063 1.391 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.005 -7.548 2.303 1.00 0.00 H new ATOM 1078 N LEU A 67 8.532 -2.843 0.523 1.00 0.00 N ATOM 1079 CA LEU A 67 9.069 -1.827 -0.434 1.00 0.00 C ATOM 1080 C LEU A 67 10.124 -0.941 0.244 1.00 0.00 C ATOM 1081 O LEU A 67 11.151 -0.656 -0.335 1.00 0.00 O ATOM 1082 CB LEU A 67 7.917 -0.943 -0.961 1.00 0.00 C ATOM 1083 CG LEU A 67 7.236 -1.588 -2.182 1.00 0.00 C ATOM 1084 CD1 LEU A 67 6.015 -0.741 -2.563 1.00 0.00 C ATOM 1085 CD2 LEU A 67 8.217 -1.653 -3.381 1.00 0.00 C ATOM 0 H LEU A 67 7.552 -2.730 0.781 1.00 0.00 H new ATOM 0 HA LEU A 67 9.538 -2.354 -1.265 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.182 -0.789 -0.171 1.00 0.00 H new ATOM 0 HB3 LEU A 67 8.304 0.039 -1.233 1.00 0.00 H new ATOM 0 HG LEU A 67 6.931 -2.604 -1.932 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.520 -1.184 -3.427 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.320 -0.707 -1.724 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.337 0.271 -2.809 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.718 -2.112 -4.235 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.535 -0.645 -3.646 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.088 -2.248 -3.107 1.00 0.00 H new ATOM 1097 N GLN A 68 9.880 -0.480 1.434 1.00 0.00 N ATOM 1098 CA GLN A 68 10.879 0.407 2.101 1.00 0.00 C ATOM 1099 C GLN A 68 12.071 -0.413 2.617 1.00 0.00 C ATOM 1100 O GLN A 68 13.173 0.077 2.714 1.00 0.00 O ATOM 1101 CB GLN A 68 10.204 1.127 3.270 1.00 0.00 C ATOM 1102 CG GLN A 68 9.007 1.919 2.747 1.00 0.00 C ATOM 1103 CD GLN A 68 8.263 2.550 3.918 1.00 0.00 C ATOM 1104 OE1 GLN A 68 8.556 2.179 5.132 1.00 0.00 O flip ATOM 1105 NE2 GLN A 68 7.406 3.388 3.729 1.00 0.00 N flip ATOM 0 H GLN A 68 9.038 -0.675 1.976 1.00 0.00 H new ATOM 0 HA GLN A 68 11.249 1.134 1.378 1.00 0.00 H new ATOM 0 HB2 GLN A 68 9.879 0.405 4.019 1.00 0.00 H new ATOM 0 HB3 GLN A 68 10.912 1.796 3.759 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.343 2.693 2.057 1.00 0.00 H new ATOM 0 HG3 GLN A 68 8.339 1.263 2.189 1.00 0.00 H new ATOM 0 HE21 GLN A 68 7.177 3.678 2.778 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.915 3.802 4.521 1.00 0.00 H new ATOM 1114 N LYS A 69 11.862 -1.651 2.963 1.00 0.00 N ATOM 1115 CA LYS A 69 12.992 -2.476 3.488 1.00 0.00 C ATOM 1116 C LYS A 69 13.890 -2.945 2.329 1.00 0.00 C ATOM 1117 O LYS A 69 15.065 -3.204 2.510 1.00 0.00 O ATOM 1118 CB LYS A 69 12.418 -3.691 4.242 1.00 0.00 C ATOM 1119 CG LYS A 69 12.221 -3.355 5.730 1.00 0.00 C ATOM 1120 CD LYS A 69 11.459 -2.021 5.895 1.00 0.00 C ATOM 1121 CE LYS A 69 10.647 -2.048 7.195 1.00 0.00 C ATOM 1122 NZ LYS A 69 11.547 -2.385 8.333 1.00 0.00 N ATOM 0 H LYS A 69 10.963 -2.129 2.907 1.00 0.00 H new ATOM 0 HA LYS A 69 13.596 -1.877 4.169 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.466 -3.985 3.800 1.00 0.00 H new ATOM 0 HB3 LYS A 69 13.092 -4.541 4.141 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.668 -4.157 6.219 1.00 0.00 H new ATOM 0 HG3 LYS A 69 13.190 -3.289 6.224 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.163 -1.189 5.911 1.00 0.00 H new ATOM 0 HD3 LYS A 69 10.797 -1.862 5.044 1.00 0.00 H new ATOM 0 HE2 LYS A 69 10.177 -1.079 7.363 1.00 0.00 H new ATOM 0 HE3 LYS A 69 9.845 -2.783 7.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 11.100 -2.097 9.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 11.720 -3.410 8.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 12.451 -1.883 8.221 1.00 0.00 H new ATOM 1136 N ASP A 70 13.344 -3.075 1.153 1.00 0.00 N ATOM 1137 CA ASP A 70 14.159 -3.550 -0.005 1.00 0.00 C ATOM 1138 C ASP A 70 14.997 -2.408 -0.589 1.00 0.00 C ATOM 1139 O ASP A 70 16.122 -2.603 -1.006 1.00 0.00 O ATOM 1140 CB ASP A 70 13.218 -4.088 -1.085 1.00 0.00 C ATOM 1141 CG ASP A 70 14.037 -4.679 -2.231 1.00 0.00 C ATOM 1142 OD1 ASP A 70 15.234 -4.839 -2.055 1.00 0.00 O ATOM 1143 OD2 ASP A 70 13.455 -4.959 -3.266 1.00 0.00 O ATOM 0 H ASP A 70 12.367 -2.873 0.941 1.00 0.00 H new ATOM 0 HA ASP A 70 14.835 -4.334 0.338 1.00 0.00 H new ATOM 0 HB2 ASP A 70 12.562 -4.849 -0.663 1.00 0.00 H new ATOM 0 HB3 ASP A 70 12.579 -3.287 -1.457 1.00 0.00 H new ATOM 1148 N ILE A 71 14.448 -1.226 -0.656 1.00 0.00 N ATOM 1149 CA ILE A 71 15.194 -0.076 -1.249 1.00 0.00 C ATOM 1150 C ILE A 71 15.973 0.692 -0.169 1.00 0.00 C ATOM 1151 O ILE A 71 17.119 1.050 -0.356 1.00 0.00 O ATOM 1152 CB ILE A 71 14.178 0.842 -1.930 1.00 0.00 C ATOM 1153 CG1 ILE A 71 13.307 1.524 -0.863 1.00 0.00 C ATOM 1154 CG2 ILE A 71 13.298 0.002 -2.862 1.00 0.00 C ATOM 1155 CD1 ILE A 71 12.101 2.219 -1.510 1.00 0.00 C ATOM 0 H ILE A 71 13.509 -1.005 -0.324 1.00 0.00 H new ATOM 0 HA ILE A 71 15.922 -0.441 -1.974 1.00 0.00 H new ATOM 0 HB ILE A 71 14.696 1.608 -2.507 1.00 0.00 H new ATOM 0 HG12 ILE A 71 12.962 0.784 -0.141 1.00 0.00 H new ATOM 0 HG13 ILE A 71 13.902 2.254 -0.313 1.00 0.00 H new ATOM 0 HG21 ILE A 71 12.569 0.647 -3.353 1.00 0.00 H new ATOM 0 HG22 ILE A 71 13.922 -0.480 -3.615 1.00 0.00 H new ATOM 0 HG23 ILE A 71 12.776 -0.759 -2.282 1.00 0.00 H new ATOM 0 HD11 ILE A 71 11.498 2.695 -0.737 1.00 0.00 H new ATOM 0 HD12 ILE A 71 12.451 2.974 -2.214 1.00 0.00 H new ATOM 0 HD13 ILE A 71 11.497 1.482 -2.039 1.00 0.00 H new ATOM 1167 N HIS A 72 15.361 0.950 0.956 1.00 0.00 N ATOM 1168 CA HIS A 72 16.062 1.693 2.052 1.00 0.00 C ATOM 1169 C HIS A 72 16.735 0.670 2.980 1.00 0.00 C ATOM 1170 O HIS A 72 16.083 0.007 3.760 1.00 0.00 O ATOM 1171 CB HIS A 72 15.019 2.537 2.835 1.00 0.00 C ATOM 1172 CG HIS A 72 15.138 4.008 2.503 1.00 0.00 C ATOM 1173 ND1 HIS A 72 15.538 4.939 3.447 1.00 0.00 N ATOM 1174 CD2 HIS A 72 14.893 4.725 1.352 1.00 0.00 C ATOM 1175 CE1 HIS A 72 15.520 6.147 2.859 1.00 0.00 C ATOM 1176 NE2 HIS A 72 15.134 6.074 1.584 1.00 0.00 N ATOM 0 H HIS A 72 14.401 0.678 1.167 1.00 0.00 H new ATOM 0 HA HIS A 72 16.820 2.362 1.645 1.00 0.00 H new ATOM 0 HB2 HIS A 72 14.014 2.189 2.596 1.00 0.00 H new ATOM 0 HB3 HIS A 72 15.161 2.391 3.906 1.00 0.00 H new ATOM 0 HD2 HIS A 72 14.564 4.303 0.414 1.00 0.00 H new ATOM 0 HE1 HIS A 72 15.786 7.067 3.359 1.00 0.00 H new ATOM 0 HE2 HIS A 72 15.037 6.843 0.921 1.00 0.00 H new ATOM 1184 N ASP A 73 18.032 0.535 2.895 1.00 0.00 N ATOM 1185 CA ASP A 73 18.737 -0.447 3.771 1.00 0.00 C ATOM 1186 C ASP A 73 18.065 -1.817 3.640 1.00 0.00 C ATOM 1187 O ASP A 73 17.647 -2.216 2.570 1.00 0.00 O ATOM 1188 CB ASP A 73 18.669 0.022 5.227 1.00 0.00 C ATOM 1189 CG ASP A 73 19.442 1.334 5.385 1.00 0.00 C ATOM 1190 OD1 ASP A 73 20.343 1.567 4.596 1.00 0.00 O ATOM 1191 OD2 ASP A 73 19.122 2.080 6.296 1.00 0.00 O ATOM 0 H ASP A 73 18.632 1.060 2.259 1.00 0.00 H new ATOM 0 HA ASP A 73 19.781 -0.523 3.467 1.00 0.00 H new ATOM 0 HB2 ASP A 73 17.630 0.163 5.525 1.00 0.00 H new ATOM 0 HB3 ASP A 73 19.089 -0.740 5.884 1.00 0.00 H new TER 1196 ASP A 73