USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 778 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 1 MET N :NH3+ 175:sc= 0.935 (180deg=0.101) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= 0.643 USER MOD Single : A 1 MET CE :methyl -130:sc= -0.095 (180deg=-0.601) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0363) USER MOD Single : A 12 GLN : amide:sc= 0.15 K(o=0.15,f=-2.6!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= -0.0689 USER MOD Single : A 24 ASN : amide:sc= -0.0108 K(o=-0.011,f=-0.73) USER MOD Single : A 25 LYS NZ :NH3+ -148:sc= 1.25 (180deg=0.931) USER MOD Single : A 31 TYR OH : rot 28:sc= 0.971 USER MOD Single : A 34 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0581) USER MOD Single : A 44 HIS : no HE2:sc= -0.0416 K(o=-0.042,f=-1.7) USER MOD Single : A 46 LYS NZ :NH3+ 163:sc= -0.339 (180deg=-0.553) USER MOD Single : A 48 MET CE :methyl 163:sc= -0.0128 (180deg=-0.47) USER MOD Single : A 49 ASN : amide:sc= 0.367 K(o=0.37,f=-0.56) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -1.09 K(o=-1.1,f=-3.1!) USER MOD Single : A 53 LYS NZ :NH3+ 173:sc=-0.00179 (180deg=-0.0598) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 67:sc= 0.07 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= -0.0141 (180deg=-0.0141) USER MOD Single : A 71 LYS NZ :NH3+ -169:sc= 1.13 (180deg=1.05) USER MOD Single : A 73 LYS NZ :NH3+ -168:sc=-0.00586 (180deg=-0.141) USER MOD Single : A 75 GLN : amide:sc= -0.244 K(o=-0.24,f=-1) USER MOD Single : A 78 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.16) USER MOD Single : A 80 HIS : no HE2:sc= 0.0326 K(o=0.033,f=-1.1) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 157:sc= 1.21 (180deg=0.83) USER MOD Single : A 87 GLN : amide:sc= -0.221 X(o=-0.22,f=0) USER MOD Single : A 88 HIS : no HE2:sc= 0.777 K(o=0.78,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.867 -1.158 8.099 1.00 -0.46 N ATOM 2 CA MET A 1 -14.647 -2.206 9.081 1.00 0.04 C ATOM 3 C MET A 1 -13.189 -2.658 9.034 1.00 0.62 C ATOM 4 O MET A 1 -12.472 -2.489 10.020 1.00 -0.50 O ATOM 5 CB MET A 1 -15.603 -3.382 8.841 1.00 -0.15 C ATOM 6 CG MET A 1 -16.972 -3.250 9.525 1.00 -0.05 C ATOM 7 SD MET A 1 -18.063 -1.875 9.055 1.00 0.74 S ATOM 8 CE MET A 1 -17.517 -0.533 10.143 1.00 -0.13 C ATOM 0 H1 MET A 1 -15.877 -0.912 8.074 1.00 -0.46 H new ATOM 0 H2 MET A 1 -14.312 -0.317 8.358 1.00 -0.46 H new ATOM 0 H3 MET A 1 -14.569 -1.493 7.161 1.00 -0.46 H new ATOM 0 HA MET A 1 -14.855 -1.813 10.076 1.00 0.04 H new ATOM 0 HB2 MET A 1 -15.758 -3.493 7.768 1.00 -0.15 H new ATOM 0 HB3 MET A 1 -15.125 -4.297 9.190 1.00 -0.15 H new ATOM 0 HG2 MET A 1 -17.518 -4.177 9.351 1.00 -0.05 H new ATOM 0 HG3 MET A 1 -16.798 -3.180 10.599 1.00 -0.05 H new ATOM 0 HE1 MET A 1 -18.382 -0.092 10.638 1.00 -0.13 H new ATOM 0 HE2 MET A 1 -16.832 -0.928 10.893 1.00 -0.13 H new ATOM 0 HE3 MET A 1 -17.008 0.230 9.553 1.00 -0.13 H new ATOM 18 N PHE A 2 -12.754 -3.239 7.905 1.00 -0.46 N ATOM 19 CA PHE A 2 -11.399 -3.761 7.764 1.00 0.04 C ATOM 20 C PHE A 2 -10.395 -2.637 8.014 1.00 0.62 C ATOM 21 O PHE A 2 -10.528 -1.552 7.449 1.00 -0.50 O ATOM 22 CB PHE A 2 -11.174 -4.395 6.386 1.00 -0.10 C ATOM 23 CG PHE A 2 -12.210 -5.425 5.978 1.00 -0.10 C ATOM 24 CD1 PHE A 2 -12.084 -6.763 6.395 1.00 -0.15 C ATOM 25 CD2 PHE A 2 -13.329 -5.035 5.221 1.00 -0.15 C ATOM 26 CE1 PHE A 2 -13.095 -7.693 6.092 1.00 -0.15 C ATOM 27 CE2 PHE A 2 -14.356 -5.954 4.950 1.00 -0.15 C ATOM 28 CZ PHE A 2 -14.246 -7.280 5.397 1.00 -0.15 C ATOM 0 H PHE A 2 -13.333 -3.356 7.073 1.00 -0.46 H new ATOM 0 HA PHE A 2 -11.254 -4.549 8.503 1.00 0.04 H new ATOM 0 HB2 PHE A 2 -11.156 -3.603 5.637 1.00 -0.10 H new ATOM 0 HB3 PHE A 2 -10.191 -4.866 6.376 1.00 -0.10 H new ATOM 0 HD1 PHE A 2 -11.211 -7.076 6.948 1.00 -0.15 H new ATOM 0 HD2 PHE A 2 -13.399 -4.024 4.846 1.00 -0.15 H new ATOM 0 HE1 PHE A 2 -12.987 -8.725 6.393 1.00 -0.15 H new ATOM 0 HE2 PHE A 2 -15.230 -5.641 4.398 1.00 -0.15 H new ATOM 0 HZ PHE A 2 -15.044 -7.982 5.208 1.00 -0.15 H new ATOM 38 N THR A 3 -9.426 -2.894 8.897 1.00 -0.46 N ATOM 39 CA THR A 3 -8.539 -1.886 9.453 1.00 0.04 C ATOM 40 C THR A 3 -7.268 -1.798 8.604 1.00 0.62 C ATOM 41 O THR A 3 -6.248 -2.396 8.946 1.00 -0.50 O ATOM 42 CB THR A 3 -8.254 -2.252 10.920 1.00 0.17 C ATOM 43 OG1 THR A 3 -9.466 -2.570 11.575 1.00 -0.55 O ATOM 44 CG2 THR A 3 -7.587 -1.099 11.670 1.00 -0.19 C ATOM 0 H THR A 3 -9.238 -3.833 9.249 1.00 -0.46 H new ATOM 0 HA THR A 3 -8.997 -0.897 9.435 1.00 0.04 H new ATOM 0 HB THR A 3 -7.578 -3.107 10.920 1.00 0.17 H new ATOM 0 HG1 THR A 3 -9.282 -2.804 12.509 1.00 -0.55 H new ATOM 0 HG21 THR A 3 -7.402 -1.395 12.702 1.00 -0.19 H new ATOM 0 HG22 THR A 3 -6.641 -0.850 11.188 1.00 -0.19 H new ATOM 0 HG23 THR A 3 -8.242 -0.228 11.655 1.00 -0.19 H new ATOM 52 N ILE A 4 -7.322 -1.049 7.496 1.00 -0.46 N ATOM 53 CA ILE A 4 -6.176 -0.866 6.616 1.00 0.04 C ATOM 54 C ILE A 4 -5.209 0.095 7.309 1.00 0.62 C ATOM 55 O ILE A 4 -5.470 1.294 7.377 1.00 -0.50 O ATOM 56 CB ILE A 4 -6.603 -0.342 5.227 1.00 -0.01 C ATOM 57 CG1 ILE A 4 -7.367 -1.377 4.381 1.00 -0.05 C ATOM 58 CG2 ILE A 4 -5.372 0.076 4.405 1.00 -0.09 C ATOM 59 CD1 ILE A 4 -8.735 -1.758 4.945 1.00 -0.09 C ATOM 0 H ILE A 4 -8.161 -0.557 7.190 1.00 -0.46 H new ATOM 0 HA ILE A 4 -5.686 -1.823 6.436 1.00 0.04 H new ATOM 0 HB ILE A 4 -7.263 0.499 5.437 1.00 -0.01 H new ATOM 0 HG12 ILE A 4 -7.499 -0.981 3.374 1.00 -0.05 H new ATOM 0 HG13 ILE A 4 -6.759 -2.277 4.292 1.00 -0.05 H new ATOM 0 HG21 ILE A 4 -5.693 0.442 3.430 1.00 -0.09 H new ATOM 0 HG22 ILE A 4 -4.835 0.866 4.930 1.00 -0.09 H new ATOM 0 HG23 ILE A 4 -4.715 -0.783 4.271 1.00 -0.09 H new ATOM 0 HD11 ILE A 4 -9.207 -2.491 4.291 1.00 -0.09 H new ATOM 0 HD12 ILE A 4 -8.612 -2.186 5.940 1.00 -0.09 H new ATOM 0 HD13 ILE A 4 -9.363 -0.869 5.007 1.00 -0.09 H new ATOM 71 N ASN A 5 -4.085 -0.433 7.806 1.00 -0.46 N ATOM 72 CA ASN A 5 -2.991 0.381 8.309 1.00 0.04 C ATOM 73 C ASN A 5 -2.361 1.131 7.136 1.00 0.62 C ATOM 74 O ASN A 5 -1.964 0.509 6.151 1.00 -0.50 O ATOM 75 CB ASN A 5 -1.959 -0.510 9.011 1.00 -0.09 C ATOM 76 CG ASN A 5 -0.724 0.282 9.437 1.00 0.68 C ATOM 77 OD1 ASN A 5 0.380 0.014 8.970 1.00 -0.47 O ATOM 78 ND2 ASN A 5 -0.907 1.266 10.320 1.00 -0.87 N ATOM 0 H ASN A 5 -3.916 -1.437 7.868 1.00 -0.46 H new ATOM 0 HA ASN A 5 -3.360 1.103 9.037 1.00 0.04 H new ATOM 0 HB2 ASN A 5 -2.414 -0.973 9.887 1.00 -0.09 H new ATOM 0 HB3 ASN A 5 -1.661 -1.317 8.342 1.00 -0.09 H new ATOM 0 HD21 ASN A 5 -0.114 1.827 10.630 1.00 -0.87 H new ATOM 0 HD22 ASN A 5 -1.840 1.457 10.684 1.00 -0.87 H new ATOM 85 N ALA A 6 -2.288 2.463 7.239 1.00 -0.46 N ATOM 86 CA ALA A 6 -1.754 3.324 6.197 1.00 0.04 C ATOM 87 C ALA A 6 -1.016 4.513 6.810 1.00 0.62 C ATOM 88 O ALA A 6 -1.032 4.720 8.023 1.00 -0.50 O ATOM 89 CB ALA A 6 -2.898 3.794 5.295 1.00 -0.10 C ATOM 0 H ALA A 6 -2.605 2.973 8.064 1.00 -0.46 H new ATOM 0 HA ALA A 6 -1.037 2.764 5.596 1.00 0.04 H new ATOM 0 HB1 ALA A 6 -2.502 4.440 4.512 1.00 -0.10 H new ATOM 0 HB2 ALA A 6 -3.382 2.929 4.841 1.00 -0.10 H new ATOM 0 HB3 ALA A 6 -3.626 4.348 5.889 1.00 -0.10 H new ATOM 95 N GLU A 7 -0.365 5.290 5.940 1.00 -0.46 N ATOM 96 CA GLU A 7 0.416 6.469 6.277 1.00 0.04 C ATOM 97 C GLU A 7 0.356 7.415 5.076 1.00 0.62 C ATOM 98 O GLU A 7 0.062 6.971 3.965 1.00 -0.50 O ATOM 99 CB GLU A 7 1.854 6.020 6.598 1.00 -0.18 C ATOM 100 CG GLU A 7 2.810 7.146 7.014 1.00 -0.40 C ATOM 101 CD GLU A 7 2.314 7.894 8.246 1.00 0.71 C ATOM 102 OE1 GLU A 7 1.509 8.830 8.052 1.00 -0.72 O ATOM 103 OE2 GLU A 7 2.746 7.520 9.356 1.00 -0.72 O ATOM 0 H GLU A 7 -0.372 5.100 4.938 1.00 -0.46 H new ATOM 0 HA GLU A 7 0.030 6.993 7.151 1.00 0.04 H new ATOM 0 HB2 GLU A 7 1.817 5.281 7.399 1.00 -0.18 H new ATOM 0 HB3 GLU A 7 2.266 5.520 5.722 1.00 -0.18 H new ATOM 0 HG2 GLU A 7 3.796 6.727 7.217 1.00 -0.40 H new ATOM 0 HG3 GLU A 7 2.926 7.847 6.187 1.00 -0.40 H new ATOM 110 N VAL A 8 0.645 8.708 5.283 1.00 -0.46 N ATOM 111 CA VAL A 8 0.661 9.718 4.225 1.00 0.04 C ATOM 112 C VAL A 8 1.948 9.630 3.388 1.00 0.62 C ATOM 113 O VAL A 8 2.622 10.633 3.160 1.00 -0.50 O ATOM 114 CB VAL A 8 0.408 11.127 4.805 1.00 -0.01 C ATOM 115 CG1 VAL A 8 -1.002 11.216 5.402 1.00 -0.09 C ATOM 116 CG2 VAL A 8 1.423 11.559 5.874 1.00 -0.09 C ATOM 0 H VAL A 8 0.877 9.082 6.203 1.00 -0.46 H new ATOM 0 HA VAL A 8 -0.160 9.514 3.538 1.00 0.04 H new ATOM 0 HB VAL A 8 0.521 11.808 3.961 1.00 -0.01 H new ATOM 0 HG11 VAL A 8 -1.164 12.215 5.806 1.00 -0.09 H new ATOM 0 HG12 VAL A 8 -1.739 11.015 4.625 1.00 -0.09 H new ATOM 0 HG13 VAL A 8 -1.106 10.481 6.200 1.00 -0.09 H new ATOM 0 HG21 VAL A 8 1.174 12.559 6.229 1.00 -0.09 H new ATOM 0 HG22 VAL A 8 1.392 10.859 6.709 1.00 -0.09 H new ATOM 0 HG23 VAL A 8 2.424 11.566 5.443 1.00 -0.09 H new ATOM 126 N ARG A 9 2.272 8.420 2.913 1.00 -0.46 N ATOM 127 CA ARG A 9 3.455 8.099 2.131 1.00 0.04 C ATOM 128 C ARG A 9 4.729 8.614 2.807 1.00 0.62 C ATOM 129 O ARG A 9 5.476 9.410 2.239 1.00 -0.50 O ATOM 130 CB ARG A 9 3.263 8.562 0.679 1.00 -0.08 C ATOM 131 CG ARG A 9 4.375 8.043 -0.246 1.00 -0.10 C ATOM 132 CD ARG A 9 3.858 7.853 -1.673 1.00 -0.23 C ATOM 133 NE ARG A 9 3.406 9.118 -2.264 1.00 -0.32 N ATOM 134 CZ ARG A 9 2.762 9.217 -3.438 1.00 0.76 C ATOM 135 NH1 ARG A 9 2.470 8.119 -4.151 1.00 -0.62 N ATOM 136 NH2 ARG A 9 2.409 10.424 -3.899 1.00 -0.62 N ATOM 0 H ARG A 9 1.682 7.604 3.076 1.00 -0.46 H new ATOM 0 HA ARG A 9 3.589 7.018 2.088 1.00 0.04 H new ATOM 0 HB2 ARG A 9 2.297 8.215 0.313 1.00 -0.08 H new ATOM 0 HB3 ARG A 9 3.244 9.651 0.646 1.00 -0.08 H new ATOM 0 HG2 ARG A 9 5.208 8.746 -0.248 1.00 -0.10 H new ATOM 0 HG3 ARG A 9 4.757 7.096 0.135 1.00 -0.10 H new ATOM 0 HD2 ARG A 9 4.647 7.425 -2.291 1.00 -0.23 H new ATOM 0 HD3 ARG A 9 3.034 7.139 -1.669 1.00 -0.23 H new ATOM 0 HE ARG A 9 3.593 9.978 -1.749 1.00 -0.32 H new ATOM 0 HH11 ARG A 9 2.737 7.198 -3.802 1.00 -0.62 H new ATOM 0 HH12 ARG A 9 1.980 8.205 -5.042 1.00 -0.62 H new ATOM 0 HH21 ARG A 9 2.630 11.261 -3.359 1.00 -0.62 H new ATOM 0 HH22 ARG A 9 1.920 10.506 -4.790 1.00 -0.62 H new ATOM 150 N LYS A 10 4.969 8.135 4.033 1.00 -0.46 N ATOM 151 CA LYS A 10 6.180 8.398 4.796 1.00 0.04 C ATOM 152 C LYS A 10 6.447 7.169 5.665 1.00 0.62 C ATOM 153 O LYS A 10 6.410 7.232 6.892 1.00 -0.50 O ATOM 154 CB LYS A 10 6.028 9.714 5.585 1.00 -0.10 C ATOM 155 CG LYS A 10 7.366 10.396 5.926 1.00 -0.16 C ATOM 156 CD LYS A 10 8.223 9.721 7.011 1.00 -0.18 C ATOM 157 CE LYS A 10 7.577 9.701 8.404 1.00 -0.04 C ATOM 158 NZ LYS A 10 7.345 11.057 8.932 1.00 -0.14 N ATOM 0 H LYS A 10 4.306 7.539 4.529 1.00 -0.46 H new ATOM 0 HA LYS A 10 7.050 8.549 4.157 1.00 0.04 H new ATOM 0 HB2 LYS A 10 5.417 10.405 5.005 1.00 -0.10 H new ATOM 0 HB3 LYS A 10 5.489 9.511 6.510 1.00 -0.10 H new ATOM 0 HG2 LYS A 10 7.959 10.460 5.014 1.00 -0.16 H new ATOM 0 HG3 LYS A 10 7.157 11.418 6.243 1.00 -0.16 H new ATOM 0 HD2 LYS A 10 8.433 8.696 6.706 1.00 -0.18 H new ATOM 0 HD3 LYS A 10 9.181 10.237 7.075 1.00 -0.18 H new ATOM 0 HE2 LYS A 10 6.629 9.165 8.355 1.00 -0.04 H new ATOM 0 HE3 LYS A 10 8.219 9.150 9.092 1.00 -0.04 H new ATOM 0 HZ1 LYS A 10 6.987 10.994 9.906 1.00 -0.14 H new ATOM 0 HZ2 LYS A 10 8.238 11.590 8.925 1.00 -0.14 H new ATOM 0 HZ3 LYS A 10 6.646 11.546 8.337 1.00 -0.14 H new ATOM 172 N GLU A 11 6.703 6.030 5.013 1.00 -0.46 N ATOM 173 CA GLU A 11 7.050 4.794 5.694 1.00 0.04 C ATOM 174 C GLU A 11 8.512 4.847 6.145 1.00 0.62 C ATOM 175 O GLU A 11 9.352 5.440 5.467 1.00 -0.50 O ATOM 176 CB GLU A 11 6.770 3.586 4.789 1.00 -0.18 C ATOM 177 CG GLU A 11 7.564 3.612 3.477 1.00 -0.40 C ATOM 178 CD GLU A 11 7.346 2.327 2.690 1.00 0.71 C ATOM 179 OE1 GLU A 11 6.239 2.186 2.127 1.00 -0.72 O ATOM 180 OE2 GLU A 11 8.287 1.505 2.676 1.00 -0.72 O ATOM 0 H GLU A 11 6.673 5.947 3.997 1.00 -0.46 H new ATOM 0 HA GLU A 11 6.429 4.680 6.582 1.00 0.04 H new ATOM 0 HB2 GLU A 11 7.009 2.671 5.332 1.00 -0.18 H new ATOM 0 HB3 GLU A 11 5.705 3.552 4.560 1.00 -0.18 H new ATOM 0 HG2 GLU A 11 7.256 4.468 2.877 1.00 -0.40 H new ATOM 0 HG3 GLU A 11 8.625 3.738 3.691 1.00 -0.40 H new ATOM 187 N GLN A 12 8.806 4.230 7.297 1.00 -0.46 N ATOM 188 CA GLN A 12 10.139 4.186 7.885 1.00 0.04 C ATOM 189 C GLN A 12 10.635 5.604 8.222 1.00 0.62 C ATOM 190 O GLN A 12 9.869 6.568 8.181 1.00 -0.50 O ATOM 191 CB GLN A 12 11.094 3.403 6.954 1.00 -0.10 C ATOM 192 CG GLN A 12 11.719 2.177 7.635 1.00 -0.10 C ATOM 193 CD GLN A 12 12.627 2.550 8.806 1.00 0.68 C ATOM 194 OE1 GLN A 12 13.585 3.300 8.634 1.00 -0.47 O ATOM 195 NE2 GLN A 12 12.326 2.043 10.003 1.00 -0.87 N ATOM 0 H GLN A 12 8.105 3.739 7.853 1.00 -0.46 H new ATOM 0 HA GLN A 12 10.109 3.650 8.833 1.00 0.04 H new ATOM 0 HB2 GLN A 12 10.547 3.081 6.068 1.00 -0.10 H new ATOM 0 HB3 GLN A 12 11.888 4.068 6.614 1.00 -0.10 H new ATOM 0 HG2 GLN A 12 10.925 1.521 7.991 1.00 -0.10 H new ATOM 0 HG3 GLN A 12 12.294 1.613 6.901 1.00 -0.10 H new ATOM 0 HE21 GLN A 12 11.522 1.423 10.107 1.00 -0.87 H new ATOM 0 HE22 GLN A 12 12.899 2.275 10.814 1.00 -0.87 H new ATOM 204 N GLY A 13 11.923 5.738 8.557 1.00 -0.46 N ATOM 205 CA GLY A 13 12.559 7.031 8.737 1.00 0.04 C ATOM 206 C GLY A 13 12.724 7.715 7.380 1.00 0.62 C ATOM 207 O GLY A 13 13.044 7.052 6.393 1.00 -0.50 O ATOM 0 H GLY A 13 12.548 4.946 8.709 1.00 -0.46 H new ATOM 0 HA2 GLY A 13 11.958 7.654 9.399 1.00 0.04 H new ATOM 0 HA3 GLY A 13 13.531 6.906 9.213 1.00 0.04 H new ATOM 211 N LYS A 14 12.498 9.034 7.342 1.00 -0.46 N ATOM 212 CA LYS A 14 12.639 9.901 6.176 1.00 0.04 C ATOM 213 C LYS A 14 11.494 9.708 5.174 1.00 0.62 C ATOM 214 O LYS A 14 10.745 10.651 4.924 1.00 -0.50 O ATOM 215 CB LYS A 14 14.032 9.757 5.537 1.00 -0.10 C ATOM 216 CG LYS A 14 14.327 10.914 4.572 1.00 -0.16 C ATOM 217 CD LYS A 14 15.762 10.859 4.027 1.00 -0.18 C ATOM 218 CE LYS A 14 15.982 9.678 3.074 1.00 -0.04 C ATOM 219 NZ LYS A 14 17.338 9.699 2.497 1.00 -0.14 N ATOM 0 H LYS A 14 12.196 9.548 8.170 1.00 -0.46 H new ATOM 0 HA LYS A 14 12.561 10.933 6.518 1.00 0.04 H new ATOM 0 HB2 LYS A 14 14.792 9.730 6.318 1.00 -0.10 H new ATOM 0 HB3 LYS A 14 14.092 8.810 5.001 1.00 -0.10 H new ATOM 0 HG2 LYS A 14 13.622 10.881 3.741 1.00 -0.16 H new ATOM 0 HG3 LYS A 14 14.171 11.863 5.085 1.00 -0.16 H new ATOM 0 HD2 LYS A 14 15.985 11.790 3.505 1.00 -0.18 H new ATOM 0 HD3 LYS A 14 16.461 10.785 4.860 1.00 -0.18 H new ATOM 0 HE2 LYS A 14 15.828 8.742 3.610 1.00 -0.04 H new ATOM 0 HE3 LYS A 14 15.243 9.712 2.273 1.00 -0.04 H new ATOM 0 HZ1 LYS A 14 17.456 8.888 1.857 1.00 -0.14 H new ATOM 0 HZ2 LYS A 14 17.475 10.582 1.965 1.00 -0.14 H new ATOM 0 HZ3 LYS A 14 18.041 9.642 3.261 1.00 -0.14 H new ATOM 233 N GLY A 15 11.368 8.506 4.598 1.00 -0.46 N ATOM 234 CA GLY A 15 10.372 8.177 3.586 1.00 0.04 C ATOM 235 C GLY A 15 11.018 7.355 2.474 1.00 0.62 C ATOM 236 O GLY A 15 11.901 7.855 1.777 1.00 -0.50 O ATOM 0 H GLY A 15 11.974 7.720 4.833 1.00 -0.46 H new ATOM 0 HA2 GLY A 15 9.553 7.616 4.037 1.00 0.04 H new ATOM 0 HA3 GLY A 15 9.943 9.090 3.174 1.00 0.04 H new ATOM 240 N ALA A 16 10.580 6.100 2.299 1.00 -0.46 N ATOM 241 CA ALA A 16 11.081 5.224 1.246 1.00 0.04 C ATOM 242 C ALA A 16 10.563 5.671 -0.125 1.00 0.62 C ATOM 243 O ALA A 16 9.444 6.170 -0.235 1.00 -0.50 O ATOM 244 CB ALA A 16 10.660 3.781 1.525 1.00 -0.10 C ATOM 0 H ALA A 16 9.867 5.669 2.888 1.00 -0.46 H new ATOM 0 HA ALA A 16 12.169 5.283 1.235 1.00 0.04 H new ATOM 0 HB1 ALA A 16 11.038 3.132 0.734 1.00 -0.10 H new ATOM 0 HB2 ALA A 16 11.069 3.461 2.483 1.00 -0.10 H new ATOM 0 HB3 ALA A 16 9.572 3.719 1.556 1.00 -0.10 H new ATOM 250 N SER A 17 11.380 5.482 -1.169 1.00 -0.46 N ATOM 251 CA SER A 17 11.042 5.810 -2.548 1.00 0.04 C ATOM 252 C SER A 17 12.014 5.098 -3.498 1.00 0.62 C ATOM 253 O SER A 17 13.005 4.519 -3.055 1.00 -0.50 O ATOM 254 CB SER A 17 11.075 7.333 -2.747 1.00 0.02 C ATOM 255 OG SER A 17 10.599 7.678 -4.033 1.00 -0.55 O ATOM 0 H SER A 17 12.315 5.087 -1.069 1.00 -0.46 H new ATOM 0 HA SER A 17 10.032 5.466 -2.773 1.00 0.04 H new ATOM 0 HB2 SER A 17 10.464 7.818 -1.985 1.00 0.02 H new ATOM 0 HB3 SER A 17 12.094 7.700 -2.620 1.00 0.02 H new ATOM 0 HG SER A 17 10.626 8.652 -4.141 1.00 -0.55 H new ATOM 261 N ARG A 18 11.714 5.151 -4.804 1.00 -0.46 N ATOM 262 CA ARG A 18 12.503 4.570 -5.886 1.00 0.04 C ATOM 263 C ARG A 18 12.846 3.098 -5.627 1.00 0.62 C ATOM 264 O ARG A 18 13.994 2.685 -5.777 1.00 -0.50 O ATOM 265 CB ARG A 18 13.751 5.424 -6.164 1.00 -0.08 C ATOM 266 CG ARG A 18 13.380 6.831 -6.652 1.00 -0.10 C ATOM 267 CD ARG A 18 14.641 7.612 -7.028 1.00 -0.23 C ATOM 268 NE ARG A 18 14.304 8.912 -7.622 1.00 -0.32 N ATOM 269 CZ ARG A 18 15.200 9.785 -8.113 1.00 0.76 C ATOM 270 NH1 ARG A 18 16.514 9.530 -8.043 1.00 -0.62 N ATOM 271 NH2 ARG A 18 14.774 10.923 -8.679 1.00 -0.62 N ATOM 0 H ARG A 18 10.876 5.623 -5.144 1.00 -0.46 H new ATOM 0 HA ARG A 18 11.891 4.578 -6.788 1.00 0.04 H new ATOM 0 HB2 ARG A 18 14.349 5.500 -5.256 1.00 -0.08 H new ATOM 0 HB3 ARG A 18 14.370 4.931 -6.913 1.00 -0.08 H new ATOM 0 HG2 ARG A 18 12.717 6.761 -7.514 1.00 -0.10 H new ATOM 0 HG3 ARG A 18 12.834 7.362 -5.872 1.00 -0.10 H new ATOM 0 HD2 ARG A 18 15.256 7.763 -6.141 1.00 -0.23 H new ATOM 0 HD3 ARG A 18 15.235 7.030 -7.733 1.00 -0.23 H new ATOM 0 HE ARG A 18 13.318 9.171 -7.665 1.00 -0.32 H new ATOM 0 HH11 ARG A 18 16.844 8.666 -7.614 1.00 -0.62 H new ATOM 0 HH12 ARG A 18 17.184 10.200 -8.419 1.00 -0.62 H new ATOM 0 HH21 ARG A 18 13.775 11.122 -8.735 1.00 -0.62 H new ATOM 0 HH22 ARG A 18 15.449 11.590 -9.054 1.00 -0.62 H new ATOM 285 N ARG A 19 11.833 2.310 -5.251 1.00 -0.46 N ATOM 286 CA ARG A 19 11.952 0.877 -5.007 1.00 0.04 C ATOM 287 C ARG A 19 10.556 0.264 -4.915 1.00 0.62 C ATOM 288 O ARG A 19 10.272 -0.735 -5.572 1.00 -0.50 O ATOM 289 CB ARG A 19 12.750 0.610 -3.719 1.00 -0.08 C ATOM 290 CG ARG A 19 12.932 -0.897 -3.489 1.00 -0.10 C ATOM 291 CD ARG A 19 13.749 -1.167 -2.224 1.00 -0.23 C ATOM 292 NE ARG A 19 13.921 -2.611 -2.014 1.00 -0.32 N ATOM 293 CZ ARG A 19 14.491 -3.172 -0.934 1.00 0.76 C ATOM 294 NH1 ARG A 19 14.964 -2.412 0.063 1.00 -0.62 N ATOM 295 NH2 ARG A 19 14.589 -4.506 -0.857 1.00 -0.62 N ATOM 0 H ARG A 19 10.887 2.664 -5.106 1.00 -0.46 H new ATOM 0 HA ARG A 19 12.492 0.415 -5.834 1.00 0.04 H new ATOM 0 HB2 ARG A 19 13.725 1.092 -3.784 1.00 -0.08 H new ATOM 0 HB3 ARG A 19 12.232 1.052 -2.868 1.00 -0.08 H new ATOM 0 HG2 ARG A 19 11.956 -1.375 -3.404 1.00 -0.10 H new ATOM 0 HG3 ARG A 19 13.431 -1.342 -4.350 1.00 -0.10 H new ATOM 0 HD2 ARG A 19 14.725 -0.688 -2.306 1.00 -0.23 H new ATOM 0 HD3 ARG A 19 13.249 -0.726 -1.361 1.00 -0.23 H new ATOM 0 HE ARG A 19 13.581 -3.236 -2.745 1.00 -0.32 H new ATOM 0 HH11 ARG A 19 14.894 -1.396 0.007 1.00 -0.62 H new ATOM 0 HH12 ARG A 19 15.395 -2.849 0.878 1.00 -0.62 H new ATOM 0 HH21 ARG A 19 14.232 -5.088 -1.615 1.00 -0.62 H new ATOM 0 HH22 ARG A 19 15.020 -4.939 -0.041 1.00 -0.62 H new ATOM 309 N LEU A 20 9.702 0.857 -4.069 1.00 -0.46 N ATOM 310 CA LEU A 20 8.414 0.298 -3.685 1.00 0.04 C ATOM 311 C LEU A 20 7.466 0.052 -4.858 1.00 0.62 C ATOM 312 O LEU A 20 6.636 -0.849 -4.776 1.00 -0.50 O ATOM 313 CB LEU A 20 7.780 1.133 -2.561 1.00 -0.06 C ATOM 314 CG LEU A 20 7.476 2.606 -2.901 1.00 -0.01 C ATOM 315 CD1 LEU A 20 6.086 2.779 -3.530 1.00 -0.11 C ATOM 316 CD2 LEU A 20 7.522 3.435 -1.611 1.00 -0.11 C ATOM 0 H LEU A 20 9.898 1.756 -3.628 1.00 -0.46 H new ATOM 0 HA LEU A 20 8.607 -0.701 -3.294 1.00 0.04 H new ATOM 0 HB2 LEU A 20 6.850 0.652 -2.258 1.00 -0.06 H new ATOM 0 HB3 LEU A 20 8.446 1.110 -1.699 1.00 -0.06 H new ATOM 0 HG LEU A 20 8.224 2.939 -3.620 1.00 -0.01 H new ATOM 0 HD11 LEU A 20 5.916 3.832 -3.753 1.00 -0.11 H new ATOM 0 HD12 LEU A 20 6.029 2.200 -4.451 1.00 -0.11 H new ATOM 0 HD13 LEU A 20 5.325 2.428 -2.833 1.00 -0.11 H new ATOM 0 HD21 LEU A 20 7.308 4.479 -1.841 1.00 -0.11 H new ATOM 0 HD22 LEU A 20 6.777 3.058 -0.910 1.00 -0.11 H new ATOM 0 HD23 LEU A 20 8.513 3.358 -1.164 1.00 -0.11 H new ATOM 328 N ARG A 21 7.585 0.819 -5.952 1.00 -0.46 N ATOM 329 CA ARG A 21 6.727 0.673 -7.121 1.00 0.04 C ATOM 330 C ARG A 21 7.162 -0.555 -7.934 1.00 0.62 C ATOM 331 O ARG A 21 7.713 -0.426 -9.027 1.00 -0.50 O ATOM 332 CB ARG A 21 6.757 1.969 -7.944 1.00 -0.08 C ATOM 333 CG ARG A 21 5.605 1.998 -8.960 1.00 -0.10 C ATOM 334 CD ARG A 21 5.802 3.108 -9.995 1.00 -0.23 C ATOM 335 NE ARG A 21 6.914 2.789 -10.902 1.00 -0.32 N ATOM 336 CZ ARG A 21 7.278 3.525 -11.964 1.00 0.76 C ATOM 337 NH1 ARG A 21 6.639 4.668 -12.257 1.00 -0.62 N ATOM 338 NH2 ARG A 21 8.289 3.112 -12.739 1.00 -0.62 N ATOM 0 H ARG A 21 8.283 1.557 -6.044 1.00 -0.46 H new ATOM 0 HA ARG A 21 5.694 0.506 -6.816 1.00 0.04 H new ATOM 0 HB2 ARG A 21 6.683 2.829 -7.279 1.00 -0.08 H new ATOM 0 HB3 ARG A 21 7.710 2.051 -8.466 1.00 -0.08 H new ATOM 0 HG2 ARG A 21 5.539 1.035 -9.465 1.00 -0.10 H new ATOM 0 HG3 ARG A 21 4.660 2.149 -8.437 1.00 -0.10 H new ATOM 0 HD2 ARG A 21 4.886 3.241 -10.570 1.00 -0.23 H new ATOM 0 HD3 ARG A 21 6.001 4.052 -9.488 1.00 -0.23 H new ATOM 0 HE ARG A 21 7.450 1.943 -10.710 1.00 -0.32 H new ATOM 0 HH11 ARG A 21 5.868 4.986 -11.670 1.00 -0.62 H new ATOM 0 HH12 ARG A 21 6.925 5.219 -13.067 1.00 -0.62 H new ATOM 0 HH21 ARG A 21 8.777 2.243 -12.521 1.00 -0.62 H new ATOM 0 HH22 ARG A 21 8.571 3.666 -13.548 1.00 -0.62 H new ATOM 352 N ALA A 22 6.911 -1.747 -7.380 1.00 -0.46 N ATOM 353 CA ALA A 22 7.303 -3.032 -7.936 1.00 0.04 C ATOM 354 C ALA A 22 6.539 -4.147 -7.218 1.00 0.62 C ATOM 355 O ALA A 22 5.818 -4.910 -7.860 1.00 -0.50 O ATOM 356 CB ALA A 22 8.817 -3.226 -7.801 1.00 -0.10 C ATOM 0 H ALA A 22 6.409 -1.838 -6.497 1.00 -0.46 H new ATOM 0 HA ALA A 22 7.055 -3.064 -8.997 1.00 0.04 H new ATOM 0 HB1 ALA A 22 9.099 -4.192 -8.221 1.00 -0.10 H new ATOM 0 HB2 ALA A 22 9.335 -2.432 -8.338 1.00 -0.10 H new ATOM 0 HB3 ALA A 22 9.096 -3.193 -6.748 1.00 -0.10 H new ATOM 362 N ALA A 23 6.697 -4.245 -5.890 1.00 -0.46 N ATOM 363 CA ALA A 23 6.045 -5.264 -5.077 1.00 0.04 C ATOM 364 C ALA A 23 6.022 -4.847 -3.605 1.00 0.62 C ATOM 365 O ALA A 23 4.952 -4.576 -3.070 1.00 -0.50 O ATOM 366 CB ALA A 23 6.738 -6.619 -5.264 1.00 -0.10 C ATOM 0 H ALA A 23 7.287 -3.611 -5.352 1.00 -0.46 H new ATOM 0 HA ALA A 23 5.011 -5.367 -5.407 1.00 0.04 H new ATOM 0 HB1 ALA A 23 6.240 -7.370 -4.651 1.00 -0.10 H new ATOM 0 HB2 ALA A 23 6.685 -6.913 -6.312 1.00 -0.10 H new ATOM 0 HB3 ALA A 23 7.782 -6.538 -4.962 1.00 -0.10 H new ATOM 372 N ASN A 24 7.190 -4.816 -2.950 1.00 -0.46 N ATOM 373 CA ASN A 24 7.317 -4.526 -1.525 1.00 0.04 C ATOM 374 C ASN A 24 6.789 -3.122 -1.225 1.00 0.62 C ATOM 375 O ASN A 24 7.445 -2.145 -1.577 1.00 -0.50 O ATOM 376 CB ASN A 24 8.790 -4.666 -1.112 1.00 -0.09 C ATOM 377 CG ASN A 24 9.020 -4.346 0.365 1.00 0.68 C ATOM 378 OD1 ASN A 24 8.108 -4.444 1.184 1.00 -0.47 O ATOM 379 ND2 ASN A 24 10.249 -3.959 0.711 1.00 -0.87 N ATOM 0 H ASN A 24 8.084 -4.995 -3.407 1.00 -0.46 H new ATOM 0 HA ASN A 24 6.723 -5.235 -0.948 1.00 0.04 H new ATOM 0 HB2 ASN A 24 9.126 -5.683 -1.316 1.00 -0.09 H new ATOM 0 HB3 ASN A 24 9.400 -4.000 -1.723 1.00 -0.09 H new ATOM 0 HD21 ASN A 24 10.458 -3.733 1.683 1.00 -0.87 H new ATOM 0 HD22 ASN A 24 10.980 -3.890 0.003 1.00 -0.87 H new ATOM 386 N LYS A 25 5.601 -3.043 -0.604 1.00 -0.46 N ATOM 387 CA LYS A 25 4.793 -1.835 -0.441 1.00 0.04 C ATOM 388 C LYS A 25 4.272 -1.355 -1.798 1.00 0.62 C ATOM 389 O LYS A 25 4.858 -1.660 -2.834 1.00 -0.50 O ATOM 390 CB LYS A 25 5.545 -0.719 0.310 1.00 -0.10 C ATOM 391 CG LYS A 25 6.001 -1.129 1.718 1.00 -0.16 C ATOM 392 CD LYS A 25 4.831 -1.100 2.702 1.00 -0.18 C ATOM 393 CE LYS A 25 5.300 -1.394 4.128 1.00 -0.04 C ATOM 394 NZ LYS A 25 4.158 -1.516 5.050 1.00 -0.14 N ATOM 0 H LYS A 25 5.161 -3.862 -0.184 1.00 -0.46 H new ATOM 0 HA LYS A 25 3.937 -2.094 0.183 1.00 0.04 H new ATOM 0 HB2 LYS A 25 6.416 -0.422 -0.274 1.00 -0.10 H new ATOM 0 HB3 LYS A 25 4.899 0.156 0.386 1.00 -0.10 H new ATOM 0 HG2 LYS A 25 6.431 -2.130 1.688 1.00 -0.16 H new ATOM 0 HG3 LYS A 25 6.786 -0.455 2.061 1.00 -0.16 H new ATOM 0 HD2 LYS A 25 4.349 -0.123 2.669 1.00 -0.18 H new ATOM 0 HD3 LYS A 25 4.083 -1.835 2.404 1.00 -0.18 H new ATOM 0 HE2 LYS A 25 5.880 -2.317 4.140 1.00 -0.04 H new ATOM 0 HE3 LYS A 25 5.961 -0.597 4.468 1.00 -0.04 H new ATOM 0 HZ1 LYS A 25 4.436 -1.180 5.994 1.00 -0.14 H new ATOM 0 HZ2 LYS A 25 3.365 -0.943 4.698 1.00 -0.14 H new ATOM 0 HZ3 LYS A 25 3.865 -2.512 5.110 1.00 -0.14 H new ATOM 408 N PHE A 26 3.152 -0.624 -1.812 1.00 -0.46 N ATOM 409 CA PHE A 26 2.584 -0.114 -3.055 1.00 0.04 C ATOM 410 C PHE A 26 1.660 1.075 -2.764 1.00 0.62 C ATOM 411 O PHE A 26 1.010 1.094 -1.718 1.00 -0.50 O ATOM 412 CB PHE A 26 1.848 -1.237 -3.806 1.00 -0.10 C ATOM 413 CG PHE A 26 0.525 -1.640 -3.187 1.00 -0.10 C ATOM 414 CD1 PHE A 26 0.493 -2.478 -2.056 1.00 -0.15 C ATOM 415 CD2 PHE A 26 -0.668 -1.085 -3.681 1.00 -0.15 C ATOM 416 CE1 PHE A 26 -0.730 -2.754 -1.423 1.00 -0.15 C ATOM 417 CE2 PHE A 26 -1.884 -1.328 -3.023 1.00 -0.15 C ATOM 418 CZ PHE A 26 -1.919 -2.176 -1.904 1.00 -0.15 C ATOM 0 H PHE A 26 2.625 -0.375 -0.975 1.00 -0.46 H new ATOM 0 HA PHE A 26 3.389 0.240 -3.699 1.00 0.04 H new ATOM 0 HB2 PHE A 26 1.672 -0.917 -4.833 1.00 -0.10 H new ATOM 0 HB3 PHE A 26 2.496 -2.112 -3.852 1.00 -0.10 H new ATOM 0 HD1 PHE A 26 1.408 -2.908 -1.676 1.00 -0.15 H new ATOM 0 HD2 PHE A 26 -0.649 -0.470 -4.569 1.00 -0.15 H new ATOM 0 HE1 PHE A 26 -0.758 -3.411 -0.566 1.00 -0.15 H new ATOM 0 HE2 PHE A 26 -2.792 -0.863 -3.377 1.00 -0.15 H new ATOM 0 HZ PHE A 26 -2.858 -2.384 -1.413 1.00 -0.15 H new ATOM 428 N PRO A 27 1.584 2.063 -3.672 1.00 -0.23 N ATOM 429 CA PRO A 27 0.774 3.255 -3.483 1.00 0.04 C ATOM 430 C PRO A 27 -0.712 2.956 -3.698 1.00 0.53 C ATOM 431 O PRO A 27 -1.075 2.072 -4.471 1.00 -0.50 O ATOM 432 CB PRO A 27 1.288 4.260 -4.516 1.00 -0.12 C ATOM 433 CG PRO A 27 1.763 3.362 -5.657 1.00 -0.12 C ATOM 434 CD PRO A 27 2.334 2.153 -4.915 1.00 -0.01 C ATOM 0 HA PRO A 27 0.857 3.640 -2.467 1.00 0.04 H new ATOM 0 HB2 PRO A 27 0.503 4.944 -4.840 1.00 -0.12 H new ATOM 0 HB3 PRO A 27 2.099 4.870 -4.118 1.00 -0.12 H new ATOM 0 HG2 PRO A 27 0.944 3.081 -6.320 1.00 -0.12 H new ATOM 0 HG3 PRO A 27 2.517 3.853 -6.272 1.00 -0.12 H new ATOM 0 HD2 PRO A 27 2.224 1.243 -5.505 1.00 -0.01 H new ATOM 0 HD3 PRO A 27 3.399 2.280 -4.721 1.00 -0.01 H new ATOM 442 N ALA A 28 -1.567 3.732 -3.027 1.00 -0.46 N ATOM 443 CA ALA A 28 -3.009 3.746 -3.219 1.00 0.04 C ATOM 444 C ALA A 28 -3.507 5.176 -3.015 1.00 0.62 C ATOM 445 O ALA A 28 -2.763 6.016 -2.509 1.00 -0.50 O ATOM 446 CB ALA A 28 -3.671 2.777 -2.242 1.00 -0.10 C ATOM 0 H ALA A 28 -1.257 4.389 -2.311 1.00 -0.46 H new ATOM 0 HA ALA A 28 -3.267 3.421 -4.227 1.00 0.04 H new ATOM 0 HB1 ALA A 28 -4.751 2.792 -2.390 1.00 -0.10 H new ATOM 0 HB2 ALA A 28 -3.294 1.769 -2.418 1.00 -0.10 H new ATOM 0 HB3 ALA A 28 -3.441 3.077 -1.220 1.00 -0.10 H new ATOM 452 N ILE A 29 -4.744 5.461 -3.439 1.00 -0.46 N ATOM 453 CA ILE A 29 -5.302 6.809 -3.455 1.00 0.04 C ATOM 454 C ILE A 29 -6.694 6.803 -2.820 1.00 0.62 C ATOM 455 O ILE A 29 -7.460 5.858 -3.010 1.00 -0.50 O ATOM 456 CB ILE A 29 -5.317 7.336 -4.905 1.00 -0.01 C ATOM 457 CG1 ILE A 29 -3.874 7.600 -5.379 1.00 -0.05 C ATOM 458 CG2 ILE A 29 -6.147 8.617 -5.060 1.00 -0.09 C ATOM 459 CD1 ILE A 29 -3.779 8.021 -6.848 1.00 -0.09 C ATOM 0 H ILE A 29 -5.389 4.750 -3.784 1.00 -0.46 H new ATOM 0 HA ILE A 29 -4.684 7.484 -2.863 1.00 0.04 H new ATOM 0 HB ILE A 29 -5.785 6.567 -5.520 1.00 -0.01 H new ATOM 0 HG12 ILE A 29 -3.433 8.379 -4.757 1.00 -0.05 H new ATOM 0 HG13 ILE A 29 -3.280 6.698 -5.229 1.00 -0.05 H new ATOM 0 HG21 ILE A 29 -6.122 8.943 -6.100 1.00 -0.09 H new ATOM 0 HG22 ILE A 29 -7.178 8.420 -4.766 1.00 -0.09 H new ATOM 0 HG23 ILE A 29 -5.731 9.399 -4.425 1.00 -0.09 H new ATOM 0 HD11 ILE A 29 -2.735 8.190 -7.111 1.00 -0.09 H new ATOM 0 HD12 ILE A 29 -4.190 7.233 -7.480 1.00 -0.09 H new ATOM 0 HD13 ILE A 29 -4.345 8.940 -7.000 1.00 -0.09 H new ATOM 471 N ILE A 30 -7.011 7.879 -2.086 1.00 -0.46 N ATOM 472 CA ILE A 30 -8.332 8.143 -1.534 1.00 0.04 C ATOM 473 C ILE A 30 -8.961 9.294 -2.323 1.00 0.62 C ATOM 474 O ILE A 30 -8.638 10.457 -2.096 1.00 -0.50 O ATOM 475 CB ILE A 30 -8.251 8.458 -0.025 1.00 -0.01 C ATOM 476 CG1 ILE A 30 -7.563 7.321 0.753 1.00 -0.05 C ATOM 477 CG2 ILE A 30 -9.666 8.701 0.523 1.00 -0.09 C ATOM 478 CD1 ILE A 30 -7.529 7.593 2.261 1.00 -0.09 C ATOM 0 H ILE A 30 -6.332 8.605 -1.858 1.00 -0.46 H new ATOM 0 HA ILE A 30 -8.960 7.257 -1.629 1.00 0.04 H new ATOM 0 HB ILE A 30 -7.648 9.356 0.108 1.00 -0.01 H new ATOM 0 HG12 ILE A 30 -8.088 6.384 0.566 1.00 -0.05 H new ATOM 0 HG13 ILE A 30 -6.545 7.195 0.385 1.00 -0.05 H new ATOM 0 HG21 ILE A 30 -9.610 8.924 1.589 1.00 -0.09 H new ATOM 0 HG22 ILE A 30 -10.119 9.543 -0.000 1.00 -0.09 H new ATOM 0 HG23 ILE A 30 -10.274 7.809 0.370 1.00 -0.09 H new ATOM 0 HD11 ILE A 30 -7.035 6.765 2.769 1.00 -0.09 H new ATOM 0 HD12 ILE A 30 -6.980 8.515 2.452 1.00 -0.09 H new ATOM 0 HD13 ILE A 30 -8.548 7.693 2.636 1.00 -0.09 H new ATOM 490 N TYR A 31 -9.887 8.963 -3.225 1.00 -0.46 N ATOM 491 CA TYR A 31 -10.735 9.920 -3.920 1.00 0.04 C ATOM 492 C TYR A 31 -11.871 10.356 -2.985 1.00 0.62 C ATOM 493 O TYR A 31 -12.085 9.753 -1.934 1.00 -0.50 O ATOM 494 CB TYR A 31 -11.288 9.281 -5.203 1.00 -0.10 C ATOM 495 CG TYR A 31 -10.233 8.811 -6.191 1.00 -0.03 C ATOM 496 CD1 TYR A 31 -9.565 7.590 -5.980 1.00 0.00 C ATOM 497 CD2 TYR A 31 -9.945 9.569 -7.341 1.00 0.00 C ATOM 498 CE1 TYR A 31 -8.586 7.156 -6.887 1.00 -0.26 C ATOM 499 CE2 TYR A 31 -9.000 9.108 -8.275 1.00 -0.26 C ATOM 500 CZ TYR A 31 -8.335 7.887 -8.058 1.00 0.46 C ATOM 501 OH TYR A 31 -7.478 7.390 -8.995 1.00 -0.53 O ATOM 0 H TYR A 31 -10.069 7.996 -3.496 1.00 -0.46 H new ATOM 0 HA TYR A 31 -10.158 10.801 -4.201 1.00 0.04 H new ATOM 0 HB2 TYR A 31 -11.912 8.430 -4.928 1.00 -0.10 H new ATOM 0 HB3 TYR A 31 -11.935 10.003 -5.701 1.00 -0.10 H new ATOM 0 HD1 TYR A 31 -9.806 6.986 -5.118 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.452 10.508 -7.507 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -8.024 6.257 -6.683 1.00 -0.26 H new ATOM 0 HE2 TYR A 31 -8.785 9.691 -9.158 1.00 -0.26 H new ATOM 0 HH TYR A 31 -7.478 6.411 -8.951 1.00 -0.53 H new ATOM 511 N GLY A 32 -12.605 11.410 -3.360 1.00 -0.46 N ATOM 512 CA GLY A 32 -13.681 11.930 -2.534 1.00 0.04 C ATOM 513 C GLY A 32 -14.589 12.862 -3.327 1.00 0.62 C ATOM 514 O GLY A 32 -15.661 12.452 -3.768 1.00 -0.50 O ATOM 0 H GLY A 32 -12.466 11.916 -4.235 1.00 -0.46 H new ATOM 0 HA2 GLY A 32 -14.267 11.103 -2.133 1.00 0.04 H new ATOM 0 HA3 GLY A 32 -13.262 12.466 -1.682 1.00 0.04 H new ATOM 518 N GLY A 33 -14.169 14.121 -3.485 1.00 -0.46 N ATOM 519 CA GLY A 33 -14.954 15.132 -4.171 1.00 0.04 C ATOM 520 C GLY A 33 -14.202 16.457 -4.158 1.00 0.62 C ATOM 521 O GLY A 33 -13.393 16.712 -5.048 1.00 -0.50 O ATOM 0 H GLY A 33 -13.272 14.461 -3.137 1.00 -0.46 H new ATOM 0 HA2 GLY A 33 -15.148 14.822 -5.198 1.00 0.04 H new ATOM 0 HA3 GLY A 33 -15.923 15.247 -3.685 1.00 0.04 H new ATOM 525 N LYS A 34 -14.458 17.292 -3.143 1.00 -0.46 N ATOM 526 CA LYS A 34 -13.759 18.558 -2.971 1.00 0.04 C ATOM 527 C LYS A 34 -12.290 18.298 -2.639 1.00 0.62 C ATOM 528 O LYS A 34 -11.405 18.894 -3.252 1.00 -0.50 O ATOM 529 CB LYS A 34 -14.442 19.405 -1.888 1.00 -0.10 C ATOM 530 CG LYS A 34 -13.770 20.780 -1.781 1.00 -0.16 C ATOM 531 CD LYS A 34 -14.524 21.689 -0.805 1.00 -0.18 C ATOM 532 CE LYS A 34 -13.808 23.033 -0.616 1.00 -0.04 C ATOM 533 NZ LYS A 34 -13.729 23.807 -1.869 1.00 -0.14 N ATOM 0 H LYS A 34 -15.155 17.103 -2.423 1.00 -0.46 H new ATOM 0 HA LYS A 34 -13.801 19.123 -3.902 1.00 0.04 H new ATOM 0 HB2 LYS A 34 -15.499 19.527 -2.126 1.00 -0.10 H new ATOM 0 HB3 LYS A 34 -14.388 18.891 -0.928 1.00 -0.10 H new ATOM 0 HG2 LYS A 34 -12.739 20.659 -1.448 1.00 -0.16 H new ATOM 0 HG3 LYS A 34 -13.734 21.248 -2.765 1.00 -0.16 H new ATOM 0 HD2 LYS A 34 -15.534 21.863 -1.176 1.00 -0.18 H new ATOM 0 HD3 LYS A 34 -14.620 21.189 0.159 1.00 -0.18 H new ATOM 0 HE2 LYS A 34 -14.334 23.619 0.138 1.00 -0.04 H new ATOM 0 HE3 LYS A 34 -12.801 22.856 -0.237 1.00 -0.04 H new ATOM 0 HZ1 LYS A 34 -13.330 24.747 -1.672 1.00 -0.14 H new ATOM 0 HZ2 LYS A 34 -13.120 23.307 -2.548 1.00 -0.14 H new ATOM 0 HZ3 LYS A 34 -14.682 23.913 -2.272 1.00 -0.14 H new ATOM 547 N GLU A 35 -12.038 17.401 -1.677 1.00 -0.46 N ATOM 548 CA GLU A 35 -10.695 16.960 -1.338 1.00 0.04 C ATOM 549 C GLU A 35 -10.067 16.283 -2.555 1.00 0.62 C ATOM 550 O GLU A 35 -10.651 15.356 -3.118 1.00 -0.50 O ATOM 551 CB GLU A 35 -10.736 15.992 -0.148 1.00 -0.18 C ATOM 552 CG GLU A 35 -11.178 16.698 1.139 1.00 -0.40 C ATOM 553 CD GLU A 35 -11.243 15.717 2.302 1.00 0.71 C ATOM 554 OE1 GLU A 35 -10.166 15.251 2.729 1.00 -0.72 O ATOM 555 OE2 GLU A 35 -12.379 15.412 2.726 1.00 -0.72 O ATOM 0 H GLU A 35 -12.768 16.964 -1.115 1.00 -0.46 H new ATOM 0 HA GLU A 35 -10.092 17.822 -1.053 1.00 0.04 H new ATOM 0 HB2 GLU A 35 -11.421 15.173 -0.368 1.00 -0.18 H new ATOM 0 HB3 GLU A 35 -9.749 15.552 -0.002 1.00 -0.18 H new ATOM 0 HG2 GLU A 35 -10.481 17.502 1.375 1.00 -0.40 H new ATOM 0 HG3 GLU A 35 -12.156 17.157 0.990 1.00 -0.40 H new ATOM 562 N ALA A 36 -8.881 16.761 -2.949 1.00 -0.46 N ATOM 563 CA ALA A 36 -8.103 16.204 -4.045 1.00 0.04 C ATOM 564 C ALA A 36 -7.737 14.745 -3.739 1.00 0.62 C ATOM 565 O ALA A 36 -7.654 14.376 -2.568 1.00 -0.50 O ATOM 566 CB ALA A 36 -6.846 17.059 -4.237 1.00 -0.10 C ATOM 0 H ALA A 36 -8.433 17.561 -2.502 1.00 -0.46 H new ATOM 0 HA ALA A 36 -8.686 16.215 -4.966 1.00 0.04 H new ATOM 0 HB1 ALA A 36 -6.252 16.654 -5.056 1.00 -0.10 H new ATOM 0 HB2 ALA A 36 -7.135 18.084 -4.471 1.00 -0.10 H new ATOM 0 HB3 ALA A 36 -6.256 17.049 -3.321 1.00 -0.10 H new ATOM 572 N PRO A 37 -7.526 13.908 -4.768 1.00 -0.23 N ATOM 573 CA PRO A 37 -7.222 12.495 -4.603 1.00 0.04 C ATOM 574 C PRO A 37 -5.806 12.296 -4.045 1.00 0.53 C ATOM 575 O PRO A 37 -4.867 12.027 -4.793 1.00 -0.50 O ATOM 576 CB PRO A 37 -7.423 11.883 -5.994 1.00 -0.12 C ATOM 577 CG PRO A 37 -7.121 13.039 -6.942 1.00 -0.12 C ATOM 578 CD PRO A 37 -7.674 14.239 -6.178 1.00 -0.01 C ATOM 0 HA PRO A 37 -7.868 12.005 -3.874 1.00 0.04 H new ATOM 0 HB2 PRO A 37 -6.752 11.041 -6.162 1.00 -0.12 H new ATOM 0 HB3 PRO A 37 -8.439 11.512 -6.126 1.00 -0.12 H new ATOM 0 HG2 PRO A 37 -6.053 13.137 -7.136 1.00 -0.12 H new ATOM 0 HG3 PRO A 37 -7.610 12.911 -7.908 1.00 -0.12 H new ATOM 0 HD2 PRO A 37 -7.126 15.148 -6.427 1.00 -0.01 H new ATOM 0 HD3 PRO A 37 -8.719 14.417 -6.431 1.00 -0.01 H new ATOM 586 N LEU A 38 -5.663 12.427 -2.720 1.00 -0.46 N ATOM 587 CA LEU A 38 -4.392 12.282 -2.019 1.00 0.04 C ATOM 588 C LEU A 38 -3.931 10.825 -1.980 1.00 0.62 C ATOM 589 O LEU A 38 -4.744 9.907 -2.095 1.00 -0.50 O ATOM 590 CB LEU A 38 -4.415 12.969 -0.638 1.00 -0.06 C ATOM 591 CG LEU A 38 -5.250 12.368 0.513 1.00 -0.01 C ATOM 592 CD1 LEU A 38 -6.742 12.250 0.193 1.00 -0.11 C ATOM 593 CD2 LEU A 38 -4.720 11.034 1.053 1.00 -0.11 C ATOM 0 H LEU A 38 -6.444 12.640 -2.099 1.00 -0.46 H new ATOM 0 HA LEU A 38 -3.632 12.813 -2.592 1.00 0.04 H new ATOM 0 HB2 LEU A 38 -3.384 13.032 -0.291 1.00 -0.06 H new ATOM 0 HB3 LEU A 38 -4.763 13.991 -0.791 1.00 -0.06 H new ATOM 0 HG LEU A 38 -5.133 13.104 1.308 1.00 -0.01 H new ATOM 0 HD11 LEU A 38 -7.264 11.820 1.047 1.00 -0.11 H new ATOM 0 HD12 LEU A 38 -7.148 13.239 -0.020 1.00 -0.11 H new ATOM 0 HD13 LEU A 38 -6.878 11.607 -0.677 1.00 -0.11 H new ATOM 0 HD21 LEU A 38 -5.366 10.685 1.858 1.00 -0.11 H new ATOM 0 HD22 LEU A 38 -4.708 10.296 0.251 1.00 -0.11 H new ATOM 0 HD23 LEU A 38 -3.708 11.172 1.434 1.00 -0.11 H new ATOM 605 N ALA A 39 -2.613 10.633 -1.841 1.00 -0.46 N ATOM 606 CA ALA A 39 -1.952 9.340 -1.925 1.00 0.04 C ATOM 607 C ALA A 39 -1.518 8.841 -0.546 1.00 0.62 C ATOM 608 O ALA A 39 -1.240 9.634 0.354 1.00 -0.50 O ATOM 609 CB ALA A 39 -0.741 9.453 -2.854 1.00 -0.10 C ATOM 0 H ALA A 39 -1.965 11.400 -1.662 1.00 -0.46 H new ATOM 0 HA ALA A 39 -2.659 8.615 -2.327 1.00 0.04 H new ATOM 0 HB1 ALA A 39 -0.242 8.486 -2.920 1.00 -0.10 H new ATOM 0 HB2 ALA A 39 -1.071 9.760 -3.846 1.00 -0.10 H new ATOM 0 HB3 ALA A 39 -0.046 10.194 -2.458 1.00 -0.10 H new ATOM 615 N ILE A 40 -1.447 7.514 -0.409 1.00 -0.46 N ATOM 616 CA ILE A 40 -1.017 6.787 0.778 1.00 0.04 C ATOM 617 C ILE A 40 -0.238 5.544 0.329 1.00 0.62 C ATOM 618 O ILE A 40 -0.247 5.213 -0.856 1.00 -0.50 O ATOM 619 CB ILE A 40 -2.241 6.402 1.637 1.00 -0.01 C ATOM 620 CG1 ILE A 40 -3.275 5.614 0.811 1.00 -0.05 C ATOM 621 CG2 ILE A 40 -2.878 7.645 2.273 1.00 -0.09 C ATOM 622 CD1 ILE A 40 -4.406 5.054 1.674 1.00 -0.09 C ATOM 0 H ILE A 40 -1.704 6.886 -1.171 1.00 -0.46 H new ATOM 0 HA ILE A 40 -0.370 7.412 1.393 1.00 0.04 H new ATOM 0 HB ILE A 40 -1.893 5.753 2.441 1.00 -0.01 H new ATOM 0 HG12 ILE A 40 -3.695 6.264 0.044 1.00 -0.05 H new ATOM 0 HG13 ILE A 40 -2.775 4.794 0.295 1.00 -0.05 H new ATOM 0 HG21 ILE A 40 -3.738 7.347 2.873 1.00 -0.09 H new ATOM 0 HG22 ILE A 40 -2.147 8.143 2.910 1.00 -0.09 H new ATOM 0 HG23 ILE A 40 -3.202 8.329 1.489 1.00 -0.09 H new ATOM 0 HD11 ILE A 40 -5.108 4.507 1.044 1.00 -0.09 H new ATOM 0 HD12 ILE A 40 -3.992 4.381 2.425 1.00 -0.09 H new ATOM 0 HD13 ILE A 40 -4.926 5.874 2.169 1.00 -0.09 H new ATOM 634 N GLU A 41 0.416 4.855 1.274 1.00 -0.46 N ATOM 635 CA GLU A 41 1.125 3.600 1.038 1.00 0.04 C ATOM 636 C GLU A 41 0.445 2.468 1.803 1.00 0.62 C ATOM 637 O GLU A 41 0.160 2.608 2.992 1.00 -0.50 O ATOM 638 CB GLU A 41 2.593 3.728 1.467 1.00 -0.18 C ATOM 639 CG GLU A 41 3.408 4.553 0.462 1.00 -0.40 C ATOM 640 CD GLU A 41 3.560 3.873 -0.900 1.00 0.71 C ATOM 641 OE1 GLU A 41 3.620 2.625 -0.922 1.00 -0.72 O ATOM 642 OE2 GLU A 41 3.616 4.620 -1.903 1.00 -0.72 O ATOM 0 H GLU A 41 0.465 5.166 2.244 1.00 -0.46 H new ATOM 0 HA GLU A 41 1.096 3.373 -0.028 1.00 0.04 H new ATOM 0 HB2 GLU A 41 2.645 4.196 2.450 1.00 -0.18 H new ATOM 0 HB3 GLU A 41 3.032 2.735 1.563 1.00 -0.18 H new ATOM 0 HG2 GLU A 41 2.928 5.522 0.325 1.00 -0.40 H new ATOM 0 HG3 GLU A 41 4.398 4.744 0.877 1.00 -0.40 H new ATOM 649 N LEU A 42 0.196 1.352 1.104 1.00 -0.46 N ATOM 650 CA LEU A 42 -0.438 0.145 1.618 1.00 0.04 C ATOM 651 C LEU A 42 0.554 -1.022 1.582 1.00 0.62 C ATOM 652 O LEU A 42 1.553 -0.987 0.862 1.00 -0.50 O ATOM 653 CB LEU A 42 -1.685 -0.171 0.778 1.00 -0.06 C ATOM 654 CG LEU A 42 -2.990 0.366 1.385 1.00 -0.01 C ATOM 655 CD1 LEU A 42 -2.953 1.867 1.678 1.00 -0.11 C ATOM 656 CD2 LEU A 42 -4.146 0.066 0.428 1.00 -0.11 C ATOM 0 H LEU A 42 0.446 1.269 0.118 1.00 -0.46 H new ATOM 0 HA LEU A 42 -0.742 0.301 2.653 1.00 0.04 H new ATOM 0 HB2 LEU A 42 -1.557 0.251 -0.219 1.00 -0.06 H new ATOM 0 HB3 LEU A 42 -1.768 -1.251 0.658 1.00 -0.06 H new ATOM 0 HG LEU A 42 -3.127 -0.137 2.342 1.00 -0.01 H new ATOM 0 HD11 LEU A 42 -3.907 2.178 2.105 1.00 -0.11 H new ATOM 0 HD12 LEU A 42 -2.152 2.080 2.386 1.00 -0.11 H new ATOM 0 HD13 LEU A 42 -2.774 2.414 0.752 1.00 -0.11 H new ATOM 0 HD21 LEU A 42 -5.076 0.444 0.852 1.00 -0.11 H new ATOM 0 HD22 LEU A 42 -3.960 0.551 -0.530 1.00 -0.11 H new ATOM 0 HD23 LEU A 42 -4.226 -1.011 0.280 1.00 -0.11 H new ATOM 668 N ASP A 43 0.272 -2.048 2.398 1.00 -0.46 N ATOM 669 CA ASP A 43 1.176 -3.151 2.686 1.00 0.04 C ATOM 670 C ASP A 43 0.925 -4.346 1.766 1.00 0.62 C ATOM 671 O ASP A 43 -0.186 -4.875 1.726 1.00 -0.50 O ATOM 672 CB ASP A 43 1.028 -3.543 4.157 1.00 -0.40 C ATOM 673 CG ASP A 43 2.079 -4.569 4.562 1.00 0.71 C ATOM 674 OD1 ASP A 43 3.237 -4.138 4.743 1.00 -0.72 O ATOM 675 OD2 ASP A 43 1.705 -5.754 4.679 1.00 -0.72 O ATOM 0 H ASP A 43 -0.620 -2.128 2.886 1.00 -0.46 H new ATOM 0 HA ASP A 43 2.199 -2.826 2.498 1.00 0.04 H new ATOM 0 HB2 ASP A 43 1.121 -2.656 4.784 1.00 -0.40 H new ATOM 0 HB3 ASP A 43 0.032 -3.951 4.329 1.00 -0.40 H new ATOM 680 N HIS A 44 1.970 -4.789 1.052 1.00 -0.46 N ATOM 681 CA HIS A 44 1.929 -5.937 0.153 1.00 0.04 C ATOM 682 C HIS A 44 2.044 -7.240 0.956 1.00 0.62 C ATOM 683 O HIS A 44 3.022 -7.977 0.834 1.00 -0.50 O ATOM 684 CB HIS A 44 3.032 -5.781 -0.906 1.00 -0.10 C ATOM 685 CG HIS A 44 2.979 -6.794 -2.028 1.00 -0.03 C ATOM 686 ND1 HIS A 44 3.293 -8.131 -1.928 1.00 -0.15 N ATOM 687 CD2 HIS A 44 2.717 -6.533 -3.345 1.00 0.20 C ATOM 688 CE1 HIS A 44 3.212 -8.662 -3.161 1.00 0.24 C ATOM 689 NE2 HIS A 44 2.872 -7.726 -4.061 1.00 -0.50 N ATOM 0 H HIS A 44 2.887 -4.344 1.089 1.00 -0.46 H new ATOM 0 HA HIS A 44 0.974 -5.983 -0.371 1.00 0.04 H new ATOM 0 HB2 HIS A 44 2.967 -4.781 -1.334 1.00 -0.10 H new ATOM 0 HB3 HIS A 44 4.002 -5.854 -0.414 1.00 -0.10 H new ATOM 0 HD1 HIS A 44 3.542 -8.629 -1.073 1.00 -0.15 H new ATOM 0 HD2 HIS A 44 2.439 -5.575 -3.760 1.00 0.20 H new ATOM 0 HE1 HIS A 44 3.396 -9.700 -3.395 1.00 0.24 H new ATOM 697 N ASP A 45 1.018 -7.517 1.767 1.00 -0.46 N ATOM 698 CA ASP A 45 0.819 -8.741 2.535 1.00 0.04 C ATOM 699 C ASP A 45 -0.446 -8.559 3.366 1.00 0.62 C ATOM 700 O ASP A 45 -1.453 -9.215 3.116 1.00 -0.50 O ATOM 701 CB ASP A 45 2.019 -9.078 3.438 1.00 -0.40 C ATOM 702 CG ASP A 45 1.644 -10.097 4.517 1.00 0.71 C ATOM 703 OD1 ASP A 45 1.237 -11.215 4.133 1.00 -0.72 O ATOM 704 OD2 ASP A 45 1.734 -9.728 5.708 1.00 -0.72 O ATOM 0 H ASP A 45 0.261 -6.849 1.910 1.00 -0.46 H new ATOM 0 HA ASP A 45 0.721 -9.581 1.847 1.00 0.04 H new ATOM 0 HB2 ASP A 45 2.833 -9.474 2.830 1.00 -0.40 H new ATOM 0 HB3 ASP A 45 2.387 -8.167 3.910 1.00 -0.40 H new ATOM 709 N LYS A 46 -0.381 -7.672 4.362 1.00 -0.46 N ATOM 710 CA LYS A 46 -1.429 -7.504 5.354 1.00 0.04 C ATOM 711 C LYS A 46 -2.739 -7.076 4.694 1.00 0.62 C ATOM 712 O LYS A 46 -3.791 -7.638 4.994 1.00 -0.50 O ATOM 713 CB LYS A 46 -0.957 -6.508 6.416 1.00 -0.10 C ATOM 714 CG LYS A 46 -1.920 -6.464 7.609 1.00 -0.16 C ATOM 715 CD LYS A 46 -1.335 -5.691 8.800 1.00 -0.18 C ATOM 716 CE LYS A 46 -0.560 -6.579 9.787 1.00 -0.04 C ATOM 717 NZ LYS A 46 0.621 -7.224 9.184 1.00 -0.14 N ATOM 0 H LYS A 46 0.413 -7.046 4.498 1.00 -0.46 H new ATOM 0 HA LYS A 46 -1.630 -8.456 5.845 1.00 0.04 H new ATOM 0 HB2 LYS A 46 0.039 -6.786 6.761 1.00 -0.10 H new ATOM 0 HB3 LYS A 46 -0.876 -5.515 5.975 1.00 -0.10 H new ATOM 0 HG2 LYS A 46 -2.856 -5.999 7.301 1.00 -0.16 H new ATOM 0 HG3 LYS A 46 -2.157 -7.481 7.920 1.00 -0.16 H new ATOM 0 HD2 LYS A 46 -0.671 -4.912 8.426 1.00 -0.18 H new ATOM 0 HD3 LYS A 46 -2.145 -5.192 9.332 1.00 -0.18 H new ATOM 0 HE2 LYS A 46 -0.242 -5.975 10.637 1.00 -0.04 H new ATOM 0 HE3 LYS A 46 -1.228 -7.348 10.175 1.00 -0.04 H new ATOM 0 HZ1 LYS A 46 1.253 -7.565 9.937 1.00 -0.14 H new ATOM 0 HZ2 LYS A 46 0.316 -8.027 8.598 1.00 -0.14 H new ATOM 0 HZ3 LYS A 46 1.128 -6.536 8.592 1.00 -0.14 H new ATOM 731 N VAL A 47 -2.668 -6.102 3.781 1.00 -0.46 N ATOM 732 CA VAL A 47 -3.832 -5.645 3.040 1.00 0.04 C ATOM 733 C VAL A 47 -4.386 -6.788 2.192 1.00 0.62 C ATOM 734 O VAL A 47 -5.579 -7.052 2.259 1.00 -0.50 O ATOM 735 CB VAL A 47 -3.499 -4.402 2.204 1.00 -0.01 C ATOM 736 CG1 VAL A 47 -4.728 -3.936 1.415 1.00 -0.09 C ATOM 737 CG2 VAL A 47 -3.040 -3.262 3.120 1.00 -0.09 C ATOM 0 H VAL A 47 -1.804 -5.615 3.541 1.00 -0.46 H new ATOM 0 HA VAL A 47 -4.610 -5.345 3.741 1.00 0.04 H new ATOM 0 HB VAL A 47 -2.702 -4.665 1.509 1.00 -0.01 H new ATOM 0 HG11 VAL A 47 -4.471 -3.054 0.829 1.00 -0.09 H new ATOM 0 HG12 VAL A 47 -5.055 -4.733 0.747 1.00 -0.09 H new ATOM 0 HG13 VAL A 47 -5.533 -3.690 2.107 1.00 -0.09 H new ATOM 0 HG21 VAL A 47 -2.806 -2.384 2.518 1.00 -0.09 H new ATOM 0 HG22 VAL A 47 -3.836 -3.018 3.824 1.00 -0.09 H new ATOM 0 HG23 VAL A 47 -2.152 -3.572 3.670 1.00 -0.09 H new ATOM 747 N MET A 48 -3.530 -7.476 1.425 1.00 -0.46 N ATOM 748 CA MET A 48 -3.888 -8.657 0.638 1.00 0.04 C ATOM 749 C MET A 48 -4.695 -9.657 1.474 1.00 0.62 C ATOM 750 O MET A 48 -5.773 -10.081 1.058 1.00 -0.50 O ATOM 751 CB MET A 48 -2.611 -9.256 0.015 1.00 -0.15 C ATOM 752 CG MET A 48 -2.598 -10.776 -0.204 1.00 -0.05 C ATOM 753 SD MET A 48 -3.950 -11.507 -1.169 1.00 0.74 S ATOM 754 CE MET A 48 -3.937 -10.452 -2.637 1.00 -0.13 C ATOM 0 H MET A 48 -2.547 -7.219 1.334 1.00 -0.46 H new ATOM 0 HA MET A 48 -4.548 -8.374 -0.182 1.00 0.04 H new ATOM 0 HB2 MET A 48 -2.443 -8.772 -0.947 1.00 -0.15 H new ATOM 0 HB3 MET A 48 -1.767 -8.997 0.654 1.00 -0.15 H new ATOM 0 HG2 MET A 48 -1.659 -11.035 -0.694 1.00 -0.05 H new ATOM 0 HG3 MET A 48 -2.589 -11.255 0.775 1.00 -0.05 H new ATOM 0 HE1 MET A 48 -4.486 -10.941 -3.441 1.00 -0.13 H new ATOM 0 HE2 MET A 48 -4.409 -9.498 -2.403 1.00 -0.13 H new ATOM 0 HE3 MET A 48 -2.908 -10.280 -2.953 1.00 -0.13 H new ATOM 764 N ASN A 49 -4.188 -10.004 2.661 1.00 -0.46 N ATOM 765 CA ASN A 49 -4.831 -10.941 3.573 1.00 0.04 C ATOM 766 C ASN A 49 -6.219 -10.435 3.983 1.00 0.62 C ATOM 767 O ASN A 49 -7.172 -11.213 3.992 1.00 -0.50 O ATOM 768 CB ASN A 49 -3.927 -11.197 4.788 1.00 -0.09 C ATOM 769 CG ASN A 49 -2.549 -11.736 4.392 1.00 0.68 C ATOM 770 OD1 ASN A 49 -2.415 -12.443 3.395 1.00 -0.47 O ATOM 771 ND2 ASN A 49 -1.514 -11.388 5.159 1.00 -0.87 N ATOM 0 H ASN A 49 -3.306 -9.634 3.016 1.00 -0.46 H new ATOM 0 HA ASN A 49 -4.978 -11.893 3.062 1.00 0.04 H new ATOM 0 HB2 ASN A 49 -3.804 -10.269 5.347 1.00 -0.09 H new ATOM 0 HB3 ASN A 49 -4.414 -11.908 5.455 1.00 -0.09 H new ATOM 0 HD21 ASN A 49 -0.575 -11.710 4.925 1.00 -0.87 H new ATOM 0 HD22 ASN A 49 -1.662 -10.800 5.979 1.00 -0.87 H new ATOM 778 N MET A 50 -6.344 -9.135 4.285 1.00 -0.46 N ATOM 779 CA MET A 50 -7.628 -8.501 4.574 1.00 0.04 C ATOM 780 C MET A 50 -8.555 -8.498 3.350 1.00 0.62 C ATOM 781 O MET A 50 -9.769 -8.585 3.516 1.00 -0.50 O ATOM 782 CB MET A 50 -7.418 -7.069 5.088 1.00 -0.15 C ATOM 783 CG MET A 50 -6.791 -7.044 6.484 1.00 -0.05 C ATOM 784 SD MET A 50 -6.338 -5.385 7.058 1.00 0.74 S ATOM 785 CE MET A 50 -5.699 -5.792 8.702 1.00 -0.13 C ATOM 0 H MET A 50 -5.551 -8.495 4.335 1.00 -0.46 H new ATOM 0 HA MET A 50 -8.113 -9.090 5.352 1.00 0.04 H new ATOM 0 HB2 MET A 50 -6.777 -6.525 4.394 1.00 -0.15 H new ATOM 0 HB3 MET A 50 -8.376 -6.549 5.112 1.00 -0.15 H new ATOM 0 HG2 MET A 50 -7.491 -7.484 7.194 1.00 -0.05 H new ATOM 0 HG3 MET A 50 -5.901 -7.673 6.483 1.00 -0.05 H new ATOM 0 HE1 MET A 50 -5.373 -4.880 9.202 1.00 -0.13 H new ATOM 0 HE2 MET A 50 -6.484 -6.267 9.290 1.00 -0.13 H new ATOM 0 HE3 MET A 50 -4.855 -6.475 8.605 1.00 -0.13 H new ATOM 795 N GLN A 51 -8.004 -8.378 2.133 1.00 -0.46 N ATOM 796 CA GLN A 51 -8.797 -8.269 0.919 1.00 0.04 C ATOM 797 C GLN A 51 -9.511 -9.582 0.614 1.00 0.62 C ATOM 798 O GLN A 51 -10.740 -9.616 0.594 1.00 -0.50 O ATOM 799 CB GLN A 51 -7.969 -7.798 -0.286 1.00 -0.10 C ATOM 800 CG GLN A 51 -7.373 -6.394 -0.092 1.00 -0.10 C ATOM 801 CD GLN A 51 -7.629 -5.404 -1.230 1.00 0.68 C ATOM 802 OE1 GLN A 51 -6.746 -4.623 -1.569 1.00 -0.47 O ATOM 803 NE2 GLN A 51 -8.825 -5.402 -1.821 1.00 -0.87 N ATOM 0 H GLN A 51 -6.997 -8.355 1.972 1.00 -0.46 H new ATOM 0 HA GLN A 51 -9.549 -7.501 1.102 1.00 0.04 H new ATOM 0 HB2 GLN A 51 -7.162 -8.508 -0.465 1.00 -0.10 H new ATOM 0 HB3 GLN A 51 -8.599 -7.800 -1.176 1.00 -0.10 H new ATOM 0 HG2 GLN A 51 -7.775 -5.973 0.829 1.00 -0.10 H new ATOM 0 HG3 GLN A 51 -6.296 -6.492 0.045 1.00 -0.10 H new ATOM 0 HE21 GLN A 51 -9.543 -6.061 -1.521 1.00 -0.87 H new ATOM 0 HE22 GLN A 51 -9.021 -4.741 -2.573 1.00 -0.87 H new ATOM 812 N ALA A 52 -8.729 -10.638 0.357 1.00 -0.46 N ATOM 813 CA ALA A 52 -9.189 -11.971 -0.016 1.00 0.04 C ATOM 814 C ALA A 52 -9.889 -11.981 -1.382 1.00 0.62 C ATOM 815 O ALA A 52 -9.331 -12.497 -2.351 1.00 -0.50 O ATOM 816 CB ALA A 52 -10.040 -12.599 1.096 1.00 -0.10 C ATOM 0 H ALA A 52 -7.712 -10.578 0.407 1.00 -0.46 H new ATOM 0 HA ALA A 52 -8.308 -12.602 -0.131 1.00 0.04 H new ATOM 0 HB1 ALA A 52 -10.367 -13.592 0.787 1.00 -0.10 H new ATOM 0 HB2 ALA A 52 -9.447 -12.680 2.007 1.00 -0.10 H new ATOM 0 HB3 ALA A 52 -10.911 -11.972 1.285 1.00 -0.10 H new ATOM 822 N LYS A 53 -11.103 -11.421 -1.463 1.00 -0.46 N ATOM 823 CA LYS A 53 -11.907 -11.364 -2.677 1.00 0.04 C ATOM 824 C LYS A 53 -12.835 -10.138 -2.596 1.00 0.62 C ATOM 825 O LYS A 53 -12.360 -9.047 -2.286 1.00 -0.50 O ATOM 826 CB LYS A 53 -12.598 -12.730 -2.890 1.00 -0.10 C ATOM 827 CG LYS A 53 -12.633 -13.179 -4.359 1.00 -0.16 C ATOM 828 CD LYS A 53 -13.480 -12.284 -5.274 1.00 -0.18 C ATOM 829 CE LYS A 53 -13.418 -12.747 -6.736 1.00 -0.04 C ATOM 830 NZ LYS A 53 -14.007 -14.085 -6.929 1.00 -0.14 N ATOM 0 H LYS A 53 -11.559 -10.985 -0.661 1.00 -0.46 H new ATOM 0 HA LYS A 53 -11.309 -11.212 -3.575 1.00 0.04 H new ATOM 0 HB2 LYS A 53 -12.080 -13.486 -2.300 1.00 -0.10 H new ATOM 0 HB3 LYS A 53 -13.619 -12.675 -2.511 1.00 -0.10 H new ATOM 0 HG2 LYS A 53 -11.613 -13.208 -4.742 1.00 -0.16 H new ATOM 0 HG3 LYS A 53 -13.020 -14.197 -4.406 1.00 -0.16 H new ATOM 0 HD2 LYS A 53 -14.515 -12.292 -4.933 1.00 -0.18 H new ATOM 0 HD3 LYS A 53 -13.129 -11.255 -5.203 1.00 -0.18 H new ATOM 0 HE2 LYS A 53 -13.944 -12.028 -7.364 1.00 -0.04 H new ATOM 0 HE3 LYS A 53 -12.379 -12.759 -7.066 1.00 -0.04 H new ATOM 0 HZ1 LYS A 53 -14.049 -14.303 -7.945 1.00 -0.14 H new ATOM 0 HZ2 LYS A 53 -13.420 -14.795 -6.447 1.00 -0.14 H new ATOM 0 HZ3 LYS A 53 -14.968 -14.102 -6.531 1.00 -0.14 H new ATOM 844 N ALA A 54 -14.137 -10.291 -2.882 1.00 -0.46 N ATOM 845 CA ALA A 54 -15.103 -9.196 -2.906 1.00 0.04 C ATOM 846 C ALA A 54 -15.359 -8.624 -1.509 1.00 0.62 C ATOM 847 O ALA A 54 -15.496 -7.409 -1.361 1.00 -0.50 O ATOM 848 CB ALA A 54 -16.408 -9.677 -3.546 1.00 -0.10 C ATOM 0 H ALA A 54 -14.549 -11.197 -3.106 1.00 -0.46 H new ATOM 0 HA ALA A 54 -14.683 -8.387 -3.504 1.00 0.04 H new ATOM 0 HB1 ALA A 54 -17.128 -8.859 -3.563 1.00 -0.10 H new ATOM 0 HB2 ALA A 54 -16.212 -10.010 -4.565 1.00 -0.10 H new ATOM 0 HB3 ALA A 54 -16.814 -10.505 -2.966 1.00 -0.10 H new ATOM 854 N GLU A 55 -15.411 -9.524 -0.514 1.00 -0.46 N ATOM 855 CA GLU A 55 -15.517 -9.312 0.928 1.00 0.04 C ATOM 856 C GLU A 55 -15.103 -7.907 1.382 1.00 0.62 C ATOM 857 O GLU A 55 -15.879 -7.209 2.034 1.00 -0.50 O ATOM 858 CB GLU A 55 -14.653 -10.393 1.599 1.00 -0.18 C ATOM 859 CG GLU A 55 -14.675 -10.333 3.129 1.00 -0.40 C ATOM 860 CD GLU A 55 -13.774 -11.400 3.747 1.00 0.71 C ATOM 861 OE1 GLU A 55 -13.844 -12.555 3.274 1.00 -0.72 O ATOM 862 OE2 GLU A 55 -13.023 -11.041 4.680 1.00 -0.72 O ATOM 0 H GLU A 55 -15.376 -10.521 -0.729 1.00 -0.46 H new ATOM 0 HA GLU A 55 -16.564 -9.391 1.222 1.00 0.04 H new ATOM 0 HB2 GLU A 55 -15.000 -11.375 1.277 1.00 -0.18 H new ATOM 0 HB3 GLU A 55 -13.624 -10.290 1.254 1.00 -0.18 H new ATOM 0 HG2 GLU A 55 -14.351 -9.346 3.460 1.00 -0.40 H new ATOM 0 HG3 GLU A 55 -15.697 -10.468 3.484 1.00 -0.40 H new ATOM 869 N PHE A 56 -13.873 -7.520 1.027 1.00 -0.46 N ATOM 870 CA PHE A 56 -13.237 -6.251 1.347 1.00 0.04 C ATOM 871 C PHE A 56 -14.190 -5.062 1.207 1.00 0.62 C ATOM 872 O PHE A 56 -14.492 -4.388 2.188 1.00 -0.50 O ATOM 873 CB PHE A 56 -12.022 -6.091 0.424 1.00 -0.10 C ATOM 874 CG PHE A 56 -11.033 -5.017 0.831 1.00 -0.10 C ATOM 875 CD1 PHE A 56 -10.280 -5.168 2.012 1.00 -0.15 C ATOM 876 CD2 PHE A 56 -10.785 -3.922 -0.017 1.00 -0.15 C ATOM 877 CE1 PHE A 56 -9.223 -4.285 2.292 1.00 -0.15 C ATOM 878 CE2 PHE A 56 -9.722 -3.044 0.258 1.00 -0.15 C ATOM 879 CZ PHE A 56 -8.927 -3.238 1.402 1.00 -0.15 C ATOM 0 H PHE A 56 -13.264 -8.125 0.476 1.00 -0.46 H new ATOM 0 HA PHE A 56 -12.930 -6.262 2.393 1.00 0.04 H new ATOM 0 HB2 PHE A 56 -11.497 -7.045 0.374 1.00 -0.10 H new ATOM 0 HB3 PHE A 56 -12.378 -5.871 -0.582 1.00 -0.10 H new ATOM 0 HD1 PHE A 56 -10.515 -5.964 2.703 1.00 -0.15 H new ATOM 0 HD2 PHE A 56 -11.412 -3.756 -0.880 1.00 -0.15 H new ATOM 0 HE1 PHE A 56 -8.638 -4.411 3.191 1.00 -0.15 H new ATOM 0 HE2 PHE A 56 -9.516 -2.220 -0.409 1.00 -0.15 H new ATOM 0 HZ PHE A 56 -8.090 -2.583 1.596 1.00 -0.15 H new ATOM 889 N TYR A 57 -14.664 -4.810 -0.016 1.00 -0.46 N ATOM 890 CA TYR A 57 -15.524 -3.679 -0.332 1.00 0.04 C ATOM 891 C TYR A 57 -16.998 -3.972 -0.053 1.00 0.62 C ATOM 892 O TYR A 57 -17.794 -3.037 0.021 1.00 -0.50 O ATOM 893 CB TYR A 57 -15.277 -3.221 -1.775 1.00 -0.10 C ATOM 894 CG TYR A 57 -15.358 -4.305 -2.833 1.00 -0.03 C ATOM 895 CD1 TYR A 57 -16.590 -4.613 -3.439 1.00 0.00 C ATOM 896 CD2 TYR A 57 -14.185 -4.952 -3.266 1.00 0.00 C ATOM 897 CE1 TYR A 57 -16.645 -5.548 -4.488 1.00 -0.26 C ATOM 898 CE2 TYR A 57 -14.241 -5.889 -4.311 1.00 -0.26 C ATOM 899 CZ TYR A 57 -15.469 -6.177 -4.932 1.00 0.46 C ATOM 900 OH TYR A 57 -15.516 -7.090 -5.945 1.00 -0.53 O ATOM 0 H TYR A 57 -14.455 -5.398 -0.823 1.00 -0.46 H new ATOM 0 HA TYR A 57 -15.263 -2.856 0.333 1.00 0.04 H new ATOM 0 HB2 TYR A 57 -16.003 -2.445 -2.020 1.00 -0.10 H new ATOM 0 HB3 TYR A 57 -14.290 -2.762 -1.827 1.00 -0.10 H new ATOM 0 HD1 TYR A 57 -17.494 -4.131 -3.098 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -13.240 -4.727 -2.794 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -17.591 -5.783 -4.953 1.00 -0.26 H new ATOM 0 HE2 TYR A 57 -13.341 -6.388 -4.637 1.00 -0.26 H new ATOM 0 HH TYR A 57 -14.613 -7.425 -6.125 1.00 -0.53 H new ATOM 910 N SER A 58 -17.369 -5.247 0.130 1.00 -0.46 N ATOM 911 CA SER A 58 -18.729 -5.624 0.479 1.00 0.04 C ATOM 912 C SER A 58 -19.120 -5.048 1.843 1.00 0.62 C ATOM 913 O SER A 58 -20.119 -4.337 1.941 1.00 -0.50 O ATOM 914 CB SER A 58 -18.882 -7.150 0.458 1.00 0.02 C ATOM 915 OG SER A 58 -18.496 -7.665 -0.799 1.00 -0.55 O ATOM 0 H SER A 58 -16.731 -6.037 0.039 1.00 -0.46 H new ATOM 0 HA SER A 58 -19.407 -5.204 -0.265 1.00 0.04 H new ATOM 0 HB2 SER A 58 -18.271 -7.594 1.244 1.00 0.02 H new ATOM 0 HB3 SER A 58 -19.917 -7.421 0.667 1.00 0.02 H new ATOM 0 HG SER A 58 -17.532 -7.537 -0.923 1.00 -0.55 H new ATOM 921 N GLU A 59 -18.343 -5.360 2.891 1.00 -0.46 N ATOM 922 CA GLU A 59 -18.723 -5.089 4.276 1.00 0.04 C ATOM 923 C GLU A 59 -18.072 -3.815 4.837 1.00 0.62 C ATOM 924 O GLU A 59 -17.807 -3.755 6.036 1.00 -0.50 O ATOM 925 CB GLU A 59 -18.397 -6.318 5.139 1.00 -0.18 C ATOM 926 CG GLU A 59 -19.110 -7.580 4.639 1.00 -0.40 C ATOM 927 CD GLU A 59 -18.818 -8.764 5.555 1.00 0.71 C ATOM 928 OE1 GLU A 59 -17.783 -9.424 5.317 1.00 -0.72 O ATOM 929 OE2 GLU A 59 -19.630 -8.982 6.480 1.00 -0.72 O ATOM 0 H GLU A 59 -17.432 -5.808 2.796 1.00 -0.46 H new ATOM 0 HA GLU A 59 -19.797 -4.902 4.301 1.00 0.04 H new ATOM 0 HB2 GLU A 59 -17.320 -6.486 5.137 1.00 -0.18 H new ATOM 0 HB3 GLU A 59 -18.688 -6.123 6.171 1.00 -0.18 H new ATOM 0 HG2 GLU A 59 -20.185 -7.403 4.596 1.00 -0.40 H new ATOM 0 HG3 GLU A 59 -18.784 -7.810 3.625 1.00 -0.40 H new ATOM 936 N VAL A 60 -17.856 -2.792 3.993 1.00 -0.46 N ATOM 937 CA VAL A 60 -17.360 -1.465 4.373 1.00 0.04 C ATOM 938 C VAL A 60 -15.896 -1.514 4.843 1.00 0.62 C ATOM 939 O VAL A 60 -15.403 -2.556 5.269 1.00 -0.50 O ATOM 940 CB VAL A 60 -18.321 -0.776 5.369 1.00 -0.01 C ATOM 941 CG1 VAL A 60 -17.887 0.654 5.724 1.00 -0.09 C ATOM 942 CG2 VAL A 60 -19.744 -0.712 4.798 1.00 -0.09 C ATOM 0 H VAL A 60 -18.029 -2.873 2.991 1.00 -0.46 H new ATOM 0 HA VAL A 60 -17.350 -0.834 3.485 1.00 0.04 H new ATOM 0 HB VAL A 60 -18.294 -1.383 6.274 1.00 -0.01 H new ATOM 0 HG11 VAL A 60 -18.599 1.087 6.426 1.00 -0.09 H new ATOM 0 HG12 VAL A 60 -16.897 0.631 6.179 1.00 -0.09 H new ATOM 0 HG13 VAL A 60 -17.856 1.260 4.819 1.00 -0.09 H new ATOM 0 HG21 VAL A 60 -20.403 -0.223 5.516 1.00 -0.09 H new ATOM 0 HG22 VAL A 60 -19.737 -0.145 3.867 1.00 -0.09 H new ATOM 0 HG23 VAL A 60 -20.104 -1.722 4.605 1.00 -0.09 H new ATOM 952 N LEU A 61 -15.176 -0.392 4.701 1.00 -0.46 N ATOM 953 CA LEU A 61 -13.729 -0.306 4.862 1.00 0.04 C ATOM 954 C LEU A 61 -13.349 0.869 5.773 1.00 0.62 C ATOM 955 O LEU A 61 -14.143 1.788 5.979 1.00 -0.50 O ATOM 956 CB LEU A 61 -13.111 -0.140 3.464 1.00 -0.06 C ATOM 957 CG LEU A 61 -13.178 -1.413 2.620 1.00 -0.01 C ATOM 958 CD1 LEU A 61 -13.137 -1.064 1.132 1.00 -0.11 C ATOM 959 CD2 LEU A 61 -11.986 -2.296 2.965 1.00 -0.11 C ATOM 0 H LEU A 61 -15.603 0.504 4.464 1.00 -0.46 H new ATOM 0 HA LEU A 61 -13.348 -1.211 5.335 1.00 0.04 H new ATOM 0 HB2 LEU A 61 -13.627 0.664 2.939 1.00 -0.06 H new ATOM 0 HB3 LEU A 61 -12.070 0.165 3.568 1.00 -0.06 H new ATOM 0 HG LEU A 61 -14.109 -1.938 2.832 1.00 -0.01 H new ATOM 0 HD11 LEU A 61 -13.185 -1.979 0.542 1.00 -0.11 H new ATOM 0 HD12 LEU A 61 -13.986 -0.427 0.884 1.00 -0.11 H new ATOM 0 HD13 LEU A 61 -12.210 -0.536 0.907 1.00 -0.11 H new ATOM 0 HD21 LEU A 61 -12.024 -3.207 2.368 1.00 -0.11 H new ATOM 0 HD22 LEU A 61 -11.062 -1.760 2.750 1.00 -0.11 H new ATOM 0 HD23 LEU A 61 -12.018 -2.554 4.024 1.00 -0.11 H new ATOM 971 N THR A 62 -12.118 0.839 6.307 1.00 -0.46 N ATOM 972 CA THR A 62 -11.578 1.868 7.192 1.00 0.04 C ATOM 973 C THR A 62 -10.081 2.043 6.920 1.00 0.62 C ATOM 974 O THR A 62 -9.315 1.106 7.141 1.00 -0.50 O ATOM 975 CB THR A 62 -11.801 1.450 8.657 1.00 0.17 C ATOM 976 OG1 THR A 62 -13.157 1.130 8.890 1.00 -0.55 O ATOM 977 CG2 THR A 62 -11.380 2.567 9.618 1.00 -0.19 C ATOM 0 H THR A 62 -11.461 0.080 6.128 1.00 -0.46 H new ATOM 0 HA THR A 62 -12.086 2.814 7.007 1.00 0.04 H new ATOM 0 HB THR A 62 -11.186 0.569 8.839 1.00 0.17 H new ATOM 0 HG1 THR A 62 -13.275 0.866 9.826 1.00 -0.55 H new ATOM 0 HG21 THR A 62 -11.548 2.245 10.646 1.00 -0.19 H new ATOM 0 HG22 THR A 62 -10.323 2.790 9.476 1.00 -0.19 H new ATOM 0 HG23 THR A 62 -11.970 3.461 9.417 1.00 -0.19 H new ATOM 985 N ILE A 63 -9.650 3.240 6.489 1.00 -0.46 N ATOM 986 CA ILE A 63 -8.229 3.568 6.406 1.00 0.04 C ATOM 987 C ILE A 63 -7.801 4.214 7.722 1.00 0.62 C ATOM 988 O ILE A 63 -8.247 5.316 8.038 1.00 -0.50 O ATOM 989 CB ILE A 63 -7.898 4.501 5.226 1.00 -0.01 C ATOM 990 CG1 ILE A 63 -8.521 4.084 3.887 1.00 -0.05 C ATOM 991 CG2 ILE A 63 -6.373 4.612 5.086 1.00 -0.09 C ATOM 992 CD1 ILE A 63 -8.291 2.619 3.507 1.00 -0.09 C ATOM 0 H ILE A 63 -10.271 3.993 6.194 1.00 -0.46 H new ATOM 0 HA ILE A 63 -7.680 2.643 6.231 1.00 0.04 H new ATOM 0 HB ILE A 63 -8.345 5.467 5.463 1.00 -0.01 H new ATOM 0 HG12 ILE A 63 -9.594 4.272 3.926 1.00 -0.05 H new ATOM 0 HG13 ILE A 63 -8.115 4.718 3.099 1.00 -0.05 H new ATOM 0 HG21 ILE A 63 -6.131 5.271 4.252 1.00 -0.09 H new ATOM 0 HG22 ILE A 63 -5.952 5.020 6.005 1.00 -0.09 H new ATOM 0 HG23 ILE A 63 -5.952 3.624 4.901 1.00 -0.09 H new ATOM 0 HD11 ILE A 63 -8.766 2.413 2.548 1.00 -0.09 H new ATOM 0 HD12 ILE A 63 -7.221 2.426 3.431 1.00 -0.09 H new ATOM 0 HD13 ILE A 63 -8.723 1.973 4.271 1.00 -0.09 H new ATOM 1004 N VAL A 64 -6.910 3.546 8.459 1.00 -0.46 N ATOM 1005 CA VAL A 64 -6.212 4.120 9.598 1.00 0.04 C ATOM 1006 C VAL A 64 -4.974 4.832 9.054 1.00 0.62 C ATOM 1007 O VAL A 64 -3.907 4.228 8.949 1.00 -0.50 O ATOM 1008 CB VAL A 64 -5.866 3.019 10.615 1.00 -0.01 C ATOM 1009 CG1 VAL A 64 -5.115 3.593 11.824 1.00 -0.09 C ATOM 1010 CG2 VAL A 64 -7.148 2.350 11.122 1.00 -0.09 C ATOM 0 H VAL A 64 -6.654 2.576 8.273 1.00 -0.46 H new ATOM 0 HA VAL A 64 -6.832 4.840 10.132 1.00 0.04 H new ATOM 0 HB VAL A 64 -5.231 2.294 10.107 1.00 -0.01 H new ATOM 0 HG11 VAL A 64 -4.885 2.790 12.524 1.00 -0.09 H new ATOM 0 HG12 VAL A 64 -4.188 4.059 11.489 1.00 -0.09 H new ATOM 0 HG13 VAL A 64 -5.738 4.338 12.319 1.00 -0.09 H new ATOM 0 HG21 VAL A 64 -6.892 1.572 11.841 1.00 -0.09 H new ATOM 0 HG22 VAL A 64 -7.782 3.095 11.603 1.00 -0.09 H new ATOM 0 HG23 VAL A 64 -7.683 1.906 10.283 1.00 -0.09 H new ATOM 1020 N VAL A 65 -5.133 6.112 8.700 1.00 -0.46 N ATOM 1021 CA VAL A 65 -4.049 6.976 8.256 1.00 0.04 C ATOM 1022 C VAL A 65 -3.608 7.821 9.451 1.00 0.62 C ATOM 1023 O VAL A 65 -4.303 8.756 9.845 1.00 -0.50 O ATOM 1024 CB VAL A 65 -4.456 7.781 7.005 1.00 -0.01 C ATOM 1025 CG1 VAL A 65 -5.767 8.568 7.136 1.00 -0.09 C ATOM 1026 CG2 VAL A 65 -3.324 8.720 6.570 1.00 -0.09 C ATOM 0 H VAL A 65 -6.039 6.580 8.717 1.00 -0.46 H new ATOM 0 HA VAL A 65 -3.185 6.399 7.925 1.00 0.04 H new ATOM 0 HB VAL A 65 -4.641 7.028 6.239 1.00 -0.01 H new ATOM 0 HG11 VAL A 65 -5.966 9.100 6.206 1.00 -0.09 H new ATOM 0 HG12 VAL A 65 -6.586 7.879 7.343 1.00 -0.09 H new ATOM 0 HG13 VAL A 65 -5.681 9.285 7.953 1.00 -0.09 H new ATOM 0 HG21 VAL A 65 -3.633 9.278 5.686 1.00 -0.09 H new ATOM 0 HG22 VAL A 65 -3.098 9.416 7.378 1.00 -0.09 H new ATOM 0 HG23 VAL A 65 -2.435 8.134 6.337 1.00 -0.09 H new ATOM 1036 N ASP A 66 -2.472 7.443 10.056 1.00 -0.46 N ATOM 1037 CA ASP A 66 -1.951 8.025 11.288 1.00 0.04 C ATOM 1038 C ASP A 66 -3.044 8.081 12.362 1.00 0.62 C ATOM 1039 O ASP A 66 -3.408 9.152 12.844 1.00 -0.50 O ATOM 1040 CB ASP A 66 -1.307 9.391 10.997 1.00 -0.40 C ATOM 1041 CG ASP A 66 -0.639 10.009 12.227 1.00 0.71 C ATOM 1042 OD1 ASP A 66 -0.088 9.233 13.038 1.00 -0.72 O ATOM 1043 OD2 ASP A 66 -0.691 11.253 12.333 1.00 -0.72 O ATOM 0 H ASP A 66 -1.878 6.701 9.685 1.00 -0.46 H new ATOM 0 HA ASP A 66 -1.163 7.389 11.691 1.00 0.04 H new ATOM 0 HB2 ASP A 66 -0.565 9.276 10.206 1.00 -0.40 H new ATOM 0 HB3 ASP A 66 -2.069 10.074 10.622 1.00 -0.40 H new ATOM 1048 N GLY A 67 -3.603 6.913 12.706 1.00 -0.46 N ATOM 1049 CA GLY A 67 -4.644 6.785 13.715 1.00 0.04 C ATOM 1050 C GLY A 67 -6.037 7.121 13.174 1.00 0.62 C ATOM 1051 O GLY A 67 -6.996 6.409 13.469 1.00 -0.50 O ATOM 0 H GLY A 67 -3.337 6.024 12.282 1.00 -0.46 H new ATOM 0 HA2 GLY A 67 -4.645 5.766 14.102 1.00 0.04 H new ATOM 0 HA3 GLY A 67 -4.415 7.444 14.552 1.00 0.04 H new ATOM 1055 N LYS A 68 -6.159 8.217 12.414 1.00 -0.46 N ATOM 1056 CA LYS A 68 -7.435 8.769 11.988 1.00 0.04 C ATOM 1057 C LYS A 68 -8.173 7.802 11.056 1.00 0.62 C ATOM 1058 O LYS A 68 -7.676 7.476 9.979 1.00 -0.50 O ATOM 1059 CB LYS A 68 -7.200 10.133 11.324 1.00 -0.10 C ATOM 1060 CG LYS A 68 -8.510 10.916 11.170 1.00 -0.16 C ATOM 1061 CD LYS A 68 -8.226 12.288 10.544 1.00 -0.18 C ATOM 1062 CE LYS A 68 -9.444 13.220 10.621 1.00 -0.04 C ATOM 1063 NZ LYS A 68 -10.607 12.683 9.893 1.00 -0.14 N ATOM 0 H LYS A 68 -5.356 8.748 12.077 1.00 -0.46 H new ATOM 0 HA LYS A 68 -8.075 8.911 12.859 1.00 0.04 H new ATOM 0 HB2 LYS A 68 -6.496 10.713 11.921 1.00 -0.10 H new ATOM 0 HB3 LYS A 68 -6.744 9.988 10.345 1.00 -0.10 H new ATOM 0 HG2 LYS A 68 -9.206 10.358 10.544 1.00 -0.16 H new ATOM 0 HG3 LYS A 68 -8.986 11.041 12.143 1.00 -0.16 H new ATOM 0 HD2 LYS A 68 -7.382 12.752 11.055 1.00 -0.18 H new ATOM 0 HD3 LYS A 68 -7.935 12.157 9.502 1.00 -0.18 H new ATOM 0 HE2 LYS A 68 -9.713 13.377 11.666 1.00 -0.04 H new ATOM 0 HE3 LYS A 68 -9.179 14.194 10.210 1.00 -0.04 H new ATOM 0 HZ1 LYS A 68 -11.404 13.347 9.974 1.00 -0.14 H new ATOM 0 HZ2 LYS A 68 -10.361 12.557 8.890 1.00 -0.14 H new ATOM 0 HZ3 LYS A 68 -10.878 11.765 10.300 1.00 -0.14 H new ATOM 1077 N GLU A 69 -9.367 7.367 11.478 1.00 -0.46 N ATOM 1078 CA GLU A 69 -10.248 6.506 10.704 1.00 0.04 C ATOM 1079 C GLU A 69 -10.943 7.317 9.612 1.00 0.62 C ATOM 1080 O GLU A 69 -11.961 7.961 9.872 1.00 -0.50 O ATOM 1081 CB GLU A 69 -11.300 5.865 11.619 1.00 -0.18 C ATOM 1082 CG GLU A 69 -10.701 4.828 12.572 1.00 -0.40 C ATOM 1083 CD GLU A 69 -11.802 4.126 13.362 1.00 0.71 C ATOM 1084 OE1 GLU A 69 -12.668 3.509 12.702 1.00 -0.72 O ATOM 1085 OE2 GLU A 69 -11.770 4.227 14.607 1.00 -0.72 O ATOM 0 H GLU A 69 -9.750 7.614 12.391 1.00 -0.46 H new ATOM 0 HA GLU A 69 -9.651 5.719 10.243 1.00 0.04 H new ATOM 0 HB2 GLU A 69 -11.793 6.644 12.200 1.00 -0.18 H new ATOM 0 HB3 GLU A 69 -12.067 5.390 11.007 1.00 -0.18 H new ATOM 0 HG2 GLU A 69 -10.128 4.094 12.006 1.00 -0.40 H new ATOM 0 HG3 GLU A 69 -10.007 5.314 13.258 1.00 -0.40 H new ATOM 1092 N ILE A 70 -10.426 7.248 8.383 1.00 -0.46 N ATOM 1093 CA ILE A 70 -11.127 7.725 7.202 1.00 0.04 C ATOM 1094 C ILE A 70 -12.002 6.570 6.712 1.00 0.62 C ATOM 1095 O ILE A 70 -11.493 5.599 6.150 1.00 -0.50 O ATOM 1096 CB ILE A 70 -10.124 8.223 6.146 1.00 -0.01 C ATOM 1097 CG1 ILE A 70 -9.216 9.347 6.683 1.00 -0.05 C ATOM 1098 CG2 ILE A 70 -10.848 8.681 4.872 1.00 -0.09 C ATOM 1099 CD1 ILE A 70 -9.951 10.624 7.102 1.00 -0.09 C ATOM 0 H ILE A 70 -9.505 6.857 8.185 1.00 -0.46 H new ATOM 0 HA ILE A 70 -11.762 8.583 7.421 1.00 0.04 H new ATOM 0 HB ILE A 70 -9.482 7.377 5.900 1.00 -0.01 H new ATOM 0 HG12 ILE A 70 -8.660 8.967 7.540 1.00 -0.05 H new ATOM 0 HG13 ILE A 70 -8.484 9.601 5.916 1.00 -0.05 H new ATOM 0 HG21 ILE A 70 -10.116 9.028 4.142 1.00 -0.09 H new ATOM 0 HG22 ILE A 70 -11.410 7.847 4.453 1.00 -0.09 H new ATOM 0 HG23 ILE A 70 -11.532 9.494 5.115 1.00 -0.09 H new ATOM 0 HD11 ILE A 70 -9.230 11.356 7.466 1.00 -0.09 H new ATOM 0 HD12 ILE A 70 -10.484 11.035 6.245 1.00 -0.09 H new ATOM 0 HD13 ILE A 70 -10.663 10.391 7.894 1.00 -0.09 H new ATOM 1111 N LYS A 71 -13.312 6.665 6.969 1.00 -0.46 N ATOM 1112 CA LYS A 71 -14.287 5.639 6.630 1.00 0.04 C ATOM 1113 C LYS A 71 -14.453 5.588 5.111 1.00 0.62 C ATOM 1114 O LYS A 71 -14.715 6.620 4.495 1.00 -0.50 O ATOM 1115 CB LYS A 71 -15.625 5.958 7.320 1.00 -0.10 C ATOM 1116 CG LYS A 71 -16.425 4.691 7.657 1.00 -0.16 C ATOM 1117 CD LYS A 71 -16.352 4.334 9.150 1.00 -0.18 C ATOM 1118 CE LYS A 71 -14.921 4.080 9.642 1.00 -0.04 C ATOM 1119 NZ LYS A 71 -14.904 3.697 11.066 1.00 -0.14 N ATOM 0 H LYS A 71 -13.725 7.477 7.428 1.00 -0.46 H new ATOM 0 HA LYS A 71 -13.945 4.664 6.976 1.00 0.04 H new ATOM 0 HB2 LYS A 71 -15.434 6.519 8.235 1.00 -0.10 H new ATOM 0 HB3 LYS A 71 -16.222 6.600 6.672 1.00 -0.10 H new ATOM 0 HG2 LYS A 71 -17.467 4.835 7.371 1.00 -0.16 H new ATOM 0 HG3 LYS A 71 -16.045 3.857 7.067 1.00 -0.16 H new ATOM 0 HD2 LYS A 71 -16.791 5.144 9.732 1.00 -0.18 H new ATOM 0 HD3 LYS A 71 -16.956 3.445 9.334 1.00 -0.18 H new ATOM 0 HE2 LYS A 71 -14.464 3.291 9.045 1.00 -0.04 H new ATOM 0 HE3 LYS A 71 -14.320 4.978 9.497 1.00 -0.04 H new ATOM 0 HZ1 LYS A 71 -13.926 3.713 11.418 1.00 -0.14 H new ATOM 0 HZ2 LYS A 71 -15.480 4.368 11.613 1.00 -0.14 H new ATOM 0 HZ3 LYS A 71 -15.294 2.739 11.172 1.00 -0.14 H new ATOM 1133 N VAL A 72 -14.282 4.405 4.509 1.00 -0.46 N ATOM 1134 CA VAL A 72 -14.287 4.217 3.061 1.00 0.04 C ATOM 1135 C VAL A 72 -15.185 3.045 2.659 1.00 0.62 C ATOM 1136 O VAL A 72 -15.612 2.254 3.498 1.00 -0.50 O ATOM 1137 CB VAL A 72 -12.850 4.077 2.516 1.00 -0.01 C ATOM 1138 CG1 VAL A 72 -12.150 5.433 2.375 1.00 -0.09 C ATOM 1139 CG2 VAL A 72 -11.997 3.189 3.419 1.00 -0.09 C ATOM 0 H VAL A 72 -14.134 3.539 5.027 1.00 -0.46 H new ATOM 0 HA VAL A 72 -14.713 5.109 2.601 1.00 0.04 H new ATOM 0 HB VAL A 72 -12.947 3.622 1.531 1.00 -0.01 H new ATOM 0 HG11 VAL A 72 -11.142 5.284 1.988 1.00 -0.09 H new ATOM 0 HG12 VAL A 72 -12.713 6.063 1.687 1.00 -0.09 H new ATOM 0 HG13 VAL A 72 -12.096 5.918 3.350 1.00 -0.09 H new ATOM 0 HG21 VAL A 72 -10.991 3.111 3.007 1.00 -0.09 H new ATOM 0 HG22 VAL A 72 -11.948 3.625 4.417 1.00 -0.09 H new ATOM 0 HG23 VAL A 72 -12.443 2.196 3.479 1.00 -0.09 H new ATOM 1149 N LYS A 73 -15.495 2.983 1.359 1.00 -0.46 N ATOM 1150 CA LYS A 73 -16.428 2.044 0.750 1.00 0.04 C ATOM 1151 C LYS A 73 -15.796 1.341 -0.459 1.00 0.62 C ATOM 1152 O LYS A 73 -16.187 0.220 -0.773 1.00 -0.50 O ATOM 1153 CB LYS A 73 -17.690 2.823 0.352 1.00 -0.10 C ATOM 1154 CG LYS A 73 -18.881 1.950 -0.068 1.00 -0.16 C ATOM 1155 CD LYS A 73 -19.420 1.111 1.100 1.00 -0.18 C ATOM 1156 CE LYS A 73 -20.743 0.415 0.757 1.00 -0.04 C ATOM 1157 NZ LYS A 73 -21.850 1.374 0.579 1.00 -0.14 N ATOM 0 H LYS A 73 -15.080 3.618 0.677 1.00 -0.46 H new ATOM 0 HA LYS A 73 -16.688 1.260 1.461 1.00 0.04 H new ATOM 0 HB2 LYS A 73 -17.994 3.448 1.192 1.00 -0.10 H new ATOM 0 HB3 LYS A 73 -17.441 3.494 -0.471 1.00 -0.10 H new ATOM 0 HG2 LYS A 73 -19.677 2.585 -0.456 1.00 -0.16 H new ATOM 0 HG3 LYS A 73 -18.577 1.289 -0.880 1.00 -0.16 H new ATOM 0 HD2 LYS A 73 -18.679 0.361 1.378 1.00 -0.18 H new ATOM 0 HD3 LYS A 73 -19.565 1.753 1.969 1.00 -0.18 H new ATOM 0 HE2 LYS A 73 -20.619 -0.167 -0.156 1.00 -0.04 H new ATOM 0 HE3 LYS A 73 -20.998 -0.288 1.550 1.00 -0.04 H new ATOM 0 HZ1 LYS A 73 -22.754 0.860 0.551 1.00 -0.14 H new ATOM 0 HZ2 LYS A 73 -21.858 2.046 1.373 1.00 -0.14 H new ATOM 0 HZ3 LYS A 73 -21.720 1.893 -0.313 1.00 -0.14 H new ATOM 1171 N ALA A 74 -14.836 2.008 -1.121 1.00 -0.46 N ATOM 1172 CA ALA A 74 -14.125 1.591 -2.329 1.00 0.04 C ATOM 1173 C ALA A 74 -14.837 2.070 -3.593 1.00 0.62 C ATOM 1174 O ALA A 74 -15.990 2.499 -3.542 1.00 -0.50 O ATOM 1175 CB ALA A 74 -13.825 0.088 -2.387 1.00 -0.10 C ATOM 0 H ALA A 74 -14.517 2.921 -0.797 1.00 -0.46 H new ATOM 0 HA ALA A 74 -13.153 2.081 -2.279 1.00 0.04 H new ATOM 0 HB1 ALA A 74 -13.297 -0.142 -3.312 1.00 -0.10 H new ATOM 0 HB2 ALA A 74 -13.205 -0.192 -1.536 1.00 -0.10 H new ATOM 0 HB3 ALA A 74 -14.760 -0.471 -2.355 1.00 -0.10 H new ATOM 1181 N GLN A 75 -14.127 1.996 -4.726 1.00 -0.46 N ATOM 1182 CA GLN A 75 -14.626 2.375 -6.039 1.00 0.04 C ATOM 1183 C GLN A 75 -14.029 1.429 -7.083 1.00 0.62 C ATOM 1184 O GLN A 75 -14.781 0.744 -7.775 1.00 -0.50 O ATOM 1185 CB GLN A 75 -14.325 3.860 -6.280 1.00 -0.10 C ATOM 1186 CG GLN A 75 -14.863 4.403 -7.609 1.00 -0.10 C ATOM 1187 CD GLN A 75 -13.979 4.013 -8.790 1.00 0.68 C ATOM 1188 OE1 GLN A 75 -12.798 4.350 -8.818 1.00 -0.47 O ATOM 1189 NE2 GLN A 75 -14.543 3.295 -9.760 1.00 -0.87 N ATOM 0 H GLN A 75 -13.164 1.661 -4.747 1.00 -0.46 H new ATOM 0 HA GLN A 75 -15.709 2.271 -6.113 1.00 0.04 H new ATOM 0 HB2 GLN A 75 -14.751 4.443 -5.463 1.00 -0.10 H new ATOM 0 HB3 GLN A 75 -13.246 4.010 -6.249 1.00 -0.10 H new ATOM 0 HG2 GLN A 75 -15.872 4.025 -7.772 1.00 -0.10 H new ATOM 0 HG3 GLN A 75 -14.934 5.489 -7.554 1.00 -0.10 H new ATOM 0 HE21 GLN A 75 -15.528 3.037 -9.697 1.00 -0.87 H new ATOM 0 HE22 GLN A 75 -13.990 3.004 -10.566 1.00 -0.87 H new ATOM 1198 N ASP A 76 -12.693 1.354 -7.159 1.00 -0.46 N ATOM 1199 CA ASP A 76 -11.981 0.310 -7.892 1.00 0.04 C ATOM 1200 C ASP A 76 -10.880 -0.265 -7.004 1.00 0.62 C ATOM 1201 O ASP A 76 -10.340 0.422 -6.137 1.00 -0.50 O ATOM 1202 CB ASP A 76 -11.397 0.839 -9.214 1.00 -0.40 C ATOM 1203 CG ASP A 76 -12.426 0.923 -10.342 1.00 0.71 C ATOM 1204 OD1 ASP A 76 -13.167 -0.068 -10.523 1.00 -0.72 O ATOM 1205 OD2 ASP A 76 -12.437 1.968 -11.029 1.00 -0.72 O ATOM 0 H ASP A 76 -12.074 2.026 -6.706 1.00 -0.46 H new ATOM 0 HA ASP A 76 -12.689 -0.477 -8.151 1.00 0.04 H new ATOM 0 HB2 ASP A 76 -10.973 1.829 -9.045 1.00 -0.40 H new ATOM 0 HB3 ASP A 76 -10.579 0.190 -9.526 1.00 -0.40 H new ATOM 1210 N VAL A 77 -10.572 -1.548 -7.223 1.00 -0.46 N ATOM 1211 CA VAL A 77 -9.560 -2.295 -6.492 1.00 0.04 C ATOM 1212 C VAL A 77 -8.719 -3.081 -7.504 1.00 0.62 C ATOM 1213 O VAL A 77 -9.132 -4.148 -7.956 1.00 -0.50 O ATOM 1214 CB VAL A 77 -10.207 -3.179 -5.397 1.00 -0.01 C ATOM 1215 CG1 VAL A 77 -10.874 -2.315 -4.319 1.00 -0.09 C ATOM 1216 CG2 VAL A 77 -11.274 -4.167 -5.895 1.00 -0.09 C ATOM 0 H VAL A 77 -11.039 -2.106 -7.938 1.00 -0.46 H new ATOM 0 HA VAL A 77 -8.893 -1.622 -5.954 1.00 0.04 H new ATOM 0 HB VAL A 77 -9.369 -3.758 -5.010 1.00 -0.01 H new ATOM 0 HG11 VAL A 77 -11.321 -2.959 -3.562 1.00 -0.09 H new ATOM 0 HG12 VAL A 77 -10.127 -1.672 -3.854 1.00 -0.09 H new ATOM 0 HG13 VAL A 77 -11.649 -1.699 -4.775 1.00 -0.09 H new ATOM 0 HG21 VAL A 77 -11.664 -4.737 -5.052 1.00 -0.09 H new ATOM 0 HG22 VAL A 77 -12.087 -3.616 -6.368 1.00 -0.09 H new ATOM 0 HG23 VAL A 77 -10.829 -4.849 -6.619 1.00 -0.09 H new ATOM 1226 N GLN A 78 -7.540 -2.562 -7.882 1.00 -0.46 N ATOM 1227 CA GLN A 78 -6.670 -3.229 -8.843 1.00 0.04 C ATOM 1228 C GLN A 78 -5.822 -4.278 -8.115 1.00 0.62 C ATOM 1229 O GLN A 78 -4.602 -4.148 -7.993 1.00 -0.50 O ATOM 1230 CB GLN A 78 -5.845 -2.198 -9.630 1.00 -0.10 C ATOM 1231 CG GLN A 78 -5.135 -2.812 -10.845 1.00 -0.10 C ATOM 1232 CD GLN A 78 -6.109 -3.239 -11.941 1.00 0.68 C ATOM 1233 OE1 GLN A 78 -6.520 -2.422 -12.761 1.00 -0.47 O ATOM 1234 NE2 GLN A 78 -6.472 -4.525 -11.973 1.00 -0.87 N ATOM 0 H GLN A 78 -7.173 -1.678 -7.530 1.00 -0.46 H new ATOM 0 HA GLN A 78 -7.261 -3.761 -9.589 1.00 0.04 H new ATOM 0 HB2 GLN A 78 -6.500 -1.394 -9.965 1.00 -0.10 H new ATOM 0 HB3 GLN A 78 -5.103 -1.751 -8.968 1.00 -0.10 H new ATOM 0 HG2 GLN A 78 -4.430 -2.088 -11.253 1.00 -0.10 H new ATOM 0 HG3 GLN A 78 -4.554 -3.676 -10.523 1.00 -0.10 H new ATOM 0 HE21 GLN A 78 -6.110 -5.175 -11.275 1.00 -0.87 H new ATOM 0 HE22 GLN A 78 -7.111 -4.857 -12.696 1.00 -0.87 H new ATOM 1243 N ARG A 79 -6.507 -5.321 -7.633 1.00 -0.46 N ATOM 1244 CA ARG A 79 -5.940 -6.457 -6.925 1.00 0.04 C ATOM 1245 C ARG A 79 -5.878 -7.677 -7.845 1.00 0.62 C ATOM 1246 O ARG A 79 -6.163 -7.578 -9.037 1.00 -0.50 O ATOM 1247 CB ARG A 79 -6.770 -6.731 -5.660 1.00 -0.08 C ATOM 1248 CG ARG A 79 -8.161 -7.326 -5.948 1.00 -0.10 C ATOM 1249 CD ARG A 79 -8.942 -7.535 -4.649 1.00 -0.23 C ATOM 1250 NE ARG A 79 -8.190 -8.357 -3.690 1.00 -0.32 N ATOM 1251 CZ ARG A 79 -8.135 -9.700 -3.667 1.00 0.76 C ATOM 1252 NH1 ARG A 79 -8.814 -10.431 -4.561 1.00 -0.62 N ATOM 1253 NH2 ARG A 79 -7.394 -10.319 -2.739 1.00 -0.62 N ATOM 0 H ARG A 79 -7.519 -5.392 -7.735 1.00 -0.46 H new ATOM 0 HA ARG A 79 -4.918 -6.233 -6.619 1.00 0.04 H new ATOM 0 HB2 ARG A 79 -6.218 -7.415 -5.016 1.00 -0.08 H new ATOM 0 HB3 ARG A 79 -6.891 -5.800 -5.107 1.00 -0.08 H new ATOM 0 HG2 ARG A 79 -8.717 -6.660 -6.609 1.00 -0.10 H new ATOM 0 HG3 ARG A 79 -8.054 -8.277 -6.470 1.00 -0.10 H new ATOM 0 HD2 ARG A 79 -9.168 -6.568 -4.201 1.00 -0.23 H new ATOM 0 HD3 ARG A 79 -9.895 -8.015 -4.871 1.00 -0.23 H new ATOM 0 HE ARG A 79 -7.659 -7.861 -2.974 1.00 -0.32 H new ATOM 0 HH11 ARG A 79 -9.382 -9.969 -5.271 1.00 -0.62 H new ATOM 0 HH12 ARG A 79 -8.763 -11.449 -4.531 1.00 -0.62 H new ATOM 0 HH21 ARG A 79 -6.874 -9.772 -2.053 1.00 -0.62 H new ATOM 0 HH22 ARG A 79 -7.350 -11.338 -2.718 1.00 -0.62 H new ATOM 1267 N HIS A 80 -5.532 -8.839 -7.274 1.00 -0.46 N ATOM 1268 CA HIS A 80 -5.589 -10.116 -7.963 1.00 0.04 C ATOM 1269 C HIS A 80 -5.795 -11.226 -6.923 1.00 0.62 C ATOM 1270 O HIS A 80 -5.104 -11.215 -5.905 1.00 -0.50 O ATOM 1271 CB HIS A 80 -4.299 -10.319 -8.764 1.00 -0.10 C ATOM 1272 CG HIS A 80 -4.392 -11.488 -9.704 1.00 -0.03 C ATOM 1273 ND1 HIS A 80 -4.389 -12.816 -9.345 1.00 -0.15 N ATOM 1274 CD2 HIS A 80 -4.630 -11.420 -11.050 1.00 0.20 C ATOM 1275 CE1 HIS A 80 -4.611 -13.531 -10.462 1.00 0.24 C ATOM 1276 NE2 HIS A 80 -4.759 -12.726 -11.526 1.00 -0.50 N ATOM 0 H HIS A 80 -5.203 -8.909 -6.311 1.00 -0.46 H new ATOM 0 HA HIS A 80 -6.423 -10.142 -8.665 1.00 0.04 H new ATOM 0 HB2 HIS A 80 -4.080 -9.415 -9.332 1.00 -0.10 H new ATOM 0 HB3 HIS A 80 -3.467 -10.473 -8.077 1.00 -0.10 H new ATOM 0 HD1 HIS A 80 -4.245 -13.189 -8.407 1.00 -0.15 H new ATOM 0 HD2 HIS A 80 -4.705 -10.518 -11.639 1.00 0.20 H new ATOM 0 HE1 HIS A 80 -4.663 -14.609 -10.498 1.00 0.24 H new ATOM 1284 N PRO A 81 -6.742 -12.161 -7.127 1.00 -0.23 N ATOM 1285 CA PRO A 81 -7.065 -13.183 -6.143 1.00 0.04 C ATOM 1286 C PRO A 81 -6.018 -14.301 -6.092 1.00 0.53 C ATOM 1287 O PRO A 81 -5.475 -14.565 -5.021 1.00 -0.50 O ATOM 1288 CB PRO A 81 -8.453 -13.709 -6.530 1.00 -0.12 C ATOM 1289 CG PRO A 81 -8.541 -13.450 -8.033 1.00 -0.12 C ATOM 1290 CD PRO A 81 -7.697 -12.188 -8.226 1.00 -0.01 C ATOM 0 HA PRO A 81 -7.065 -12.767 -5.136 1.00 0.04 H new ATOM 0 HB2 PRO A 81 -8.556 -14.770 -6.301 1.00 -0.12 H new ATOM 0 HB3 PRO A 81 -9.243 -13.188 -5.988 1.00 -0.12 H new ATOM 0 HG2 PRO A 81 -8.148 -14.288 -8.609 1.00 -0.12 H new ATOM 0 HG3 PRO A 81 -9.571 -13.297 -8.355 1.00 -0.12 H new ATOM 0 HD2 PRO A 81 -7.183 -12.208 -9.187 1.00 -0.01 H new ATOM 0 HD3 PRO A 81 -8.324 -11.296 -8.218 1.00 -0.01 H new ATOM 1298 N TYR A 82 -5.766 -14.984 -7.217 1.00 -0.46 N ATOM 1299 CA TYR A 82 -5.033 -16.248 -7.224 1.00 0.04 C ATOM 1300 C TYR A 82 -3.567 -16.024 -6.845 1.00 0.62 C ATOM 1301 O TYR A 82 -3.138 -16.467 -5.782 1.00 -0.50 O ATOM 1302 CB TYR A 82 -5.197 -16.975 -8.570 1.00 -0.10 C ATOM 1303 CG TYR A 82 -6.612 -17.002 -9.126 1.00 -0.03 C ATOM 1304 CD1 TYR A 82 -7.700 -17.334 -8.293 1.00 0.00 C ATOM 1305 CD2 TYR A 82 -6.848 -16.673 -10.475 1.00 0.00 C ATOM 1306 CE1 TYR A 82 -9.014 -17.283 -8.792 1.00 -0.26 C ATOM 1307 CE2 TYR A 82 -8.160 -16.628 -10.974 1.00 -0.26 C ATOM 1308 CZ TYR A 82 -9.245 -16.925 -10.131 1.00 0.46 C ATOM 1309 OH TYR A 82 -10.522 -16.870 -10.609 1.00 -0.53 O ATOM 0 H TYR A 82 -6.065 -14.674 -8.142 1.00 -0.46 H new ATOM 0 HA TYR A 82 -5.459 -16.905 -6.465 1.00 0.04 H new ATOM 0 HB2 TYR A 82 -4.545 -16.499 -9.303 1.00 -0.10 H new ATOM 0 HB3 TYR A 82 -4.850 -18.002 -8.454 1.00 -0.10 H new ATOM 0 HD1 TYR A 82 -7.524 -17.628 -7.269 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -6.016 -16.454 -11.129 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -9.846 -17.519 -8.145 1.00 -0.26 H new ATOM 0 HE2 TYR A 82 -8.336 -16.365 -12.007 1.00 -0.26 H new ATOM 0 HH TYR A 82 -10.507 -16.606 -11.553 1.00 -0.53 H new ATOM 1319 N LYS A 83 -2.817 -15.297 -7.684 1.00 -0.46 N ATOM 1320 CA LYS A 83 -1.527 -14.746 -7.294 1.00 0.04 C ATOM 1321 C LYS A 83 -1.767 -13.417 -6.567 1.00 0.62 C ATOM 1322 O LYS A 83 -2.700 -12.699 -6.926 1.00 -0.50 O ATOM 1323 CB LYS A 83 -0.602 -14.565 -8.508 1.00 -0.10 C ATOM 1324 CG LYS A 83 -1.172 -13.660 -9.614 1.00 -0.16 C ATOM 1325 CD LYS A 83 -0.097 -13.173 -10.593 1.00 -0.18 C ATOM 1326 CE LYS A 83 0.566 -14.321 -11.361 1.00 -0.04 C ATOM 1327 NZ LYS A 83 1.520 -13.812 -12.364 1.00 -0.14 N ATOM 0 H LYS A 83 -3.091 -15.080 -8.642 1.00 -0.46 H new ATOM 0 HA LYS A 83 -1.021 -15.441 -6.624 1.00 0.04 H new ATOM 0 HB2 LYS A 83 0.346 -14.149 -8.168 1.00 -0.10 H new ATOM 0 HB3 LYS A 83 -0.385 -15.545 -8.933 1.00 -0.10 H new ATOM 0 HG2 LYS A 83 -1.939 -14.205 -10.165 1.00 -0.16 H new ATOM 0 HG3 LYS A 83 -1.659 -12.798 -9.158 1.00 -0.16 H new ATOM 0 HD2 LYS A 83 -0.546 -12.478 -11.303 1.00 -0.18 H new ATOM 0 HD3 LYS A 83 0.665 -12.620 -10.044 1.00 -0.18 H new ATOM 0 HE2 LYS A 83 1.085 -14.977 -10.662 1.00 -0.04 H new ATOM 0 HE3 LYS A 83 -0.199 -14.921 -11.854 1.00 -0.04 H new ATOM 0 HZ1 LYS A 83 1.953 -14.612 -12.868 1.00 -0.14 H new ATOM 0 HZ2 LYS A 83 1.018 -13.205 -13.043 1.00 -0.14 H new ATOM 0 HZ3 LYS A 83 2.262 -13.260 -11.889 1.00 -0.14 H new ATOM 1341 N PRO A 84 -0.943 -13.061 -5.570 1.00 -0.23 N ATOM 1342 CA PRO A 84 -0.975 -11.745 -4.956 1.00 0.04 C ATOM 1343 C PRO A 84 -0.261 -10.741 -5.864 1.00 0.53 C ATOM 1344 O PRO A 84 0.650 -11.115 -6.603 1.00 -0.50 O ATOM 1345 CB PRO A 84 -0.242 -11.918 -3.624 1.00 -0.12 C ATOM 1346 CG PRO A 84 0.806 -12.983 -3.954 1.00 -0.12 C ATOM 1347 CD PRO A 84 0.085 -13.887 -4.957 1.00 -0.01 C ATOM 0 HA PRO A 84 -1.986 -11.366 -4.804 1.00 0.04 H new ATOM 0 HB2 PRO A 84 0.217 -10.987 -3.290 1.00 -0.12 H new ATOM 0 HB3 PRO A 84 -0.915 -12.244 -2.831 1.00 -0.12 H new ATOM 0 HG2 PRO A 84 1.706 -12.543 -4.384 1.00 -0.12 H new ATOM 0 HG3 PRO A 84 1.114 -13.534 -3.065 1.00 -0.12 H new ATOM 0 HD2 PRO A 84 0.778 -14.269 -5.707 1.00 -0.01 H new ATOM 0 HD3 PRO A 84 -0.354 -14.751 -4.459 1.00 -0.01 H new ATOM 1355 N LYS A 85 -0.670 -9.466 -5.813 1.00 -0.46 N ATOM 1356 CA LYS A 85 -0.021 -8.407 -6.576 1.00 0.04 C ATOM 1357 C LYS A 85 -0.317 -7.037 -5.965 1.00 0.62 C ATOM 1358 O LYS A 85 0.606 -6.371 -5.509 1.00 -0.50 O ATOM 1359 CB LYS A 85 -0.431 -8.480 -8.056 1.00 -0.10 C ATOM 1360 CG LYS A 85 0.341 -7.495 -8.949 1.00 -0.16 C ATOM 1361 CD LYS A 85 1.845 -7.807 -9.043 1.00 -0.18 C ATOM 1362 CE LYS A 85 2.702 -6.815 -8.243 1.00 -0.04 C ATOM 1363 NZ LYS A 85 4.138 -7.127 -8.354 1.00 -0.14 N ATOM 0 H LYS A 85 -1.455 -9.148 -5.244 1.00 -0.46 H new ATOM 0 HA LYS A 85 1.058 -8.552 -6.529 1.00 0.04 H new ATOM 0 HB2 LYS A 85 -0.270 -9.494 -8.421 1.00 -0.10 H new ATOM 0 HB3 LYS A 85 -1.499 -8.277 -8.141 1.00 -0.10 H new ATOM 0 HG2 LYS A 85 -0.089 -7.510 -9.950 1.00 -0.16 H new ATOM 0 HG3 LYS A 85 0.210 -6.485 -8.561 1.00 -0.16 H new ATOM 0 HD2 LYS A 85 2.027 -8.817 -8.677 1.00 -0.18 H new ATOM 0 HD3 LYS A 85 2.152 -7.787 -10.089 1.00 -0.18 H new ATOM 0 HE2 LYS A 85 2.520 -5.803 -8.604 1.00 -0.04 H new ATOM 0 HE3 LYS A 85 2.404 -6.838 -7.195 1.00 -0.04 H new ATOM 0 HZ1 LYS A 85 4.695 -6.272 -8.156 1.00 -0.14 H new ATOM 0 HZ2 LYS A 85 4.386 -7.869 -7.668 1.00 -0.14 H new ATOM 0 HZ3 LYS A 85 4.347 -7.461 -9.316 1.00 -0.14 H new ATOM 1377 N LEU A 86 -1.585 -6.605 -5.981 1.00 -0.46 N ATOM 1378 CA LEU A 86 -2.000 -5.277 -5.533 1.00 0.04 C ATOM 1379 C LEU A 86 -1.193 -4.181 -6.234 1.00 0.62 C ATOM 1380 O LEU A 86 -0.262 -3.621 -5.660 1.00 -0.50 O ATOM 1381 CB LEU A 86 -1.908 -5.147 -4.004 1.00 -0.06 C ATOM 1382 CG LEU A 86 -2.904 -6.030 -3.238 1.00 -0.01 C ATOM 1383 CD1 LEU A 86 -2.533 -6.032 -1.753 1.00 -0.11 C ATOM 1384 CD2 LEU A 86 -4.334 -5.495 -3.361 1.00 -0.11 C ATOM 0 H LEU A 86 -2.360 -7.180 -6.311 1.00 -0.46 H new ATOM 0 HA LEU A 86 -3.046 -5.147 -5.810 1.00 0.04 H new ATOM 0 HB2 LEU A 86 -0.896 -5.402 -3.689 1.00 -0.06 H new ATOM 0 HB3 LEU A 86 -2.075 -4.106 -3.728 1.00 -0.06 H new ATOM 0 HG LEU A 86 -2.858 -7.033 -3.663 1.00 -0.01 H new ATOM 0 HD11 LEU A 86 -3.236 -6.657 -1.203 1.00 -0.11 H new ATOM 0 HD12 LEU A 86 -1.524 -6.426 -1.631 1.00 -0.11 H new ATOM 0 HD13 LEU A 86 -2.574 -5.014 -1.366 1.00 -0.11 H new ATOM 0 HD21 LEU A 86 -5.014 -6.143 -2.808 1.00 -0.11 H new ATOM 0 HD22 LEU A 86 -4.381 -4.486 -2.952 1.00 -0.11 H new ATOM 0 HD23 LEU A 86 -4.626 -5.475 -4.411 1.00 -0.11 H new ATOM 1396 N GLN A 87 -1.564 -3.866 -7.480 1.00 -0.46 N ATOM 1397 CA GLN A 87 -0.923 -2.798 -8.230 1.00 0.04 C ATOM 1398 C GLN A 87 -1.302 -1.443 -7.630 1.00 0.62 C ATOM 1399 O GLN A 87 -0.433 -0.600 -7.413 1.00 -0.50 O ATOM 1400 CB GLN A 87 -1.304 -2.876 -9.714 1.00 -0.10 C ATOM 1401 CG GLN A 87 -0.868 -4.211 -10.332 1.00 -0.10 C ATOM 1402 CD GLN A 87 -0.960 -4.196 -11.856 1.00 0.68 C ATOM 1403 OE1 GLN A 87 0.050 -4.345 -12.541 1.00 -0.47 O ATOM 1404 NE2 GLN A 87 -2.167 -4.022 -12.396 1.00 -0.87 N ATOM 0 H GLN A 87 -2.310 -4.343 -7.986 1.00 -0.46 H new ATOM 0 HA GLN A 87 0.159 -2.914 -8.162 1.00 0.04 H new ATOM 0 HB2 GLN A 87 -2.382 -2.758 -9.822 1.00 -0.10 H new ATOM 0 HB3 GLN A 87 -0.838 -2.053 -10.255 1.00 -0.10 H new ATOM 0 HG2 GLN A 87 0.157 -4.431 -10.033 1.00 -0.10 H new ATOM 0 HG3 GLN A 87 -1.493 -5.013 -9.939 1.00 -0.10 H new ATOM 0 HE21 GLN A 87 -2.982 -3.902 -11.795 1.00 -0.87 H new ATOM 0 HE22 GLN A 87 -2.275 -4.009 -13.410 1.00 -0.87 H new ATOM 1413 N HIS A 88 -2.599 -1.241 -7.366 1.00 -0.46 N ATOM 1414 CA HIS A 88 -3.140 0.009 -6.856 1.00 0.04 C ATOM 1415 C HIS A 88 -4.519 -0.249 -6.242 1.00 0.62 C ATOM 1416 O HIS A 88 -5.144 -1.264 -6.541 1.00 -0.50 O ATOM 1417 CB HIS A 88 -3.227 1.017 -8.011 1.00 -0.10 C ATOM 1418 CG HIS A 88 -3.558 2.417 -7.572 1.00 -0.03 C ATOM 1419 ND1 HIS A 88 -4.798 3.013 -7.619 1.00 -0.15 N ATOM 1420 CD2 HIS A 88 -2.671 3.340 -7.086 1.00 0.20 C ATOM 1421 CE1 HIS A 88 -4.653 4.270 -7.171 1.00 0.24 C ATOM 1422 NE2 HIS A 88 -3.378 4.517 -6.832 1.00 -0.50 N ATOM 0 H HIS A 88 -3.309 -1.960 -7.506 1.00 -0.46 H new ATOM 0 HA HIS A 88 -2.493 0.419 -6.080 1.00 0.04 H new ATOM 0 HB2 HIS A 88 -2.276 1.029 -8.543 1.00 -0.10 H new ATOM 0 HB3 HIS A 88 -3.984 0.680 -8.719 1.00 -0.10 H new ATOM 0 HD1 HIS A 88 -5.666 2.580 -7.935 1.00 -0.15 H new ATOM 0 HD2 HIS A 88 -1.614 3.185 -6.928 1.00 0.20 H new ATOM 0 HE1 HIS A 88 -5.456 4.988 -7.094 1.00 0.24 H new ATOM 1430 N ILE A 89 -4.995 0.672 -5.393 1.00 -0.46 N ATOM 1431 CA ILE A 89 -6.357 0.678 -4.874 1.00 0.04 C ATOM 1432 C ILE A 89 -6.889 2.115 -4.931 1.00 0.62 C ATOM 1433 O ILE A 89 -6.160 3.061 -4.626 1.00 -0.50 O ATOM 1434 CB ILE A 89 -6.413 0.108 -3.442 1.00 -0.01 C ATOM 1435 CG1 ILE A 89 -5.919 -1.348 -3.317 1.00 -0.05 C ATOM 1436 CG2 ILE A 89 -7.841 0.219 -2.896 1.00 -0.09 C ATOM 1437 CD1 ILE A 89 -6.829 -2.394 -3.967 1.00 -0.09 C ATOM 0 H ILE A 89 -4.428 1.445 -5.045 1.00 -0.46 H new ATOM 0 HA ILE A 89 -6.988 0.033 -5.486 1.00 0.04 H new ATOM 0 HB ILE A 89 -5.722 0.711 -2.852 1.00 -0.01 H new ATOM 0 HG12 ILE A 89 -4.928 -1.420 -3.766 1.00 -0.05 H new ATOM 0 HG13 ILE A 89 -5.809 -1.590 -2.260 1.00 -0.05 H new ATOM 0 HG21 ILE A 89 -7.876 -0.185 -1.884 1.00 -0.09 H new ATOM 0 HG22 ILE A 89 -8.144 1.266 -2.880 1.00 -0.09 H new ATOM 0 HG23 ILE A 89 -8.520 -0.345 -3.535 1.00 -0.09 H new ATOM 0 HD11 ILE A 89 -6.400 -3.386 -3.828 1.00 -0.09 H new ATOM 0 HD12 ILE A 89 -7.815 -2.357 -3.504 1.00 -0.09 H new ATOM 0 HD13 ILE A 89 -6.921 -2.185 -5.033 1.00 -0.09 H new ATOM 1449 N ASP A 90 -8.157 2.262 -5.336 1.00 -0.46 N ATOM 1450 CA ASP A 90 -8.824 3.533 -5.565 1.00 0.04 C ATOM 1451 C ASP A 90 -10.032 3.614 -4.627 1.00 0.62 C ATOM 1452 O ASP A 90 -11.119 3.146 -4.965 1.00 -0.50 O ATOM 1453 CB ASP A 90 -9.242 3.621 -7.043 1.00 -0.40 C ATOM 1454 CG ASP A 90 -8.052 3.547 -8.004 1.00 0.71 C ATOM 1455 OD1 ASP A 90 -7.525 2.428 -8.184 1.00 -0.72 O ATOM 1456 OD2 ASP A 90 -7.682 4.612 -8.545 1.00 -0.72 O ATOM 0 H ASP A 90 -8.763 1.462 -5.518 1.00 -0.46 H new ATOM 0 HA ASP A 90 -8.162 4.374 -5.355 1.00 0.04 H new ATOM 0 HB2 ASP A 90 -9.935 2.811 -7.268 1.00 -0.40 H new ATOM 0 HB3 ASP A 90 -9.779 4.555 -7.209 1.00 -0.40 H new ATOM 1461 N PHE A 91 -9.831 4.189 -3.434 1.00 -0.46 N ATOM 1462 CA PHE A 91 -10.859 4.285 -2.404 1.00 0.04 C ATOM 1463 C PHE A 91 -11.752 5.508 -2.611 1.00 0.62 C ATOM 1464 O PHE A 91 -11.311 6.513 -3.162 1.00 -0.50 O ATOM 1465 CB PHE A 91 -10.223 4.349 -1.011 1.00 -0.10 C ATOM 1466 CG PHE A 91 -9.436 3.123 -0.600 1.00 -0.10 C ATOM 1467 CD1 PHE A 91 -10.115 1.959 -0.190 1.00 -0.15 C ATOM 1468 CD2 PHE A 91 -8.032 3.178 -0.520 1.00 -0.15 C ATOM 1469 CE1 PHE A 91 -9.393 0.861 0.307 1.00 -0.15 C ATOM 1470 CE2 PHE A 91 -7.311 2.080 -0.021 1.00 -0.15 C ATOM 1471 CZ PHE A 91 -7.992 0.923 0.397 1.00 -0.15 C ATOM 0 H PHE A 91 -8.940 4.603 -3.160 1.00 -0.46 H new ATOM 0 HA PHE A 91 -11.477 3.390 -2.481 1.00 0.04 H new ATOM 0 HB2 PHE A 91 -9.562 5.215 -0.971 1.00 -0.10 H new ATOM 0 HB3 PHE A 91 -11.012 4.517 -0.277 1.00 -0.10 H new ATOM 0 HD1 PHE A 91 -11.192 1.911 -0.258 1.00 -0.15 H new ATOM 0 HD2 PHE A 91 -7.508 4.065 -0.843 1.00 -0.15 H new ATOM 0 HE1 PHE A 91 -9.915 -0.031 0.620 1.00 -0.15 H new ATOM 0 HE2 PHE A 91 -6.234 2.125 0.041 1.00 -0.15 H new ATOM 0 HZ PHE A 91 -7.438 0.082 0.787 1.00 -0.15 H new ATOM 1481 N VAL A 92 -12.994 5.431 -2.119 1.00 -0.46 N ATOM 1482 CA VAL A 92 -13.925 6.550 -2.007 1.00 0.04 C ATOM 1483 C VAL A 92 -14.526 6.503 -0.602 1.00 0.62 C ATOM 1484 O VAL A 92 -14.802 5.416 -0.094 1.00 -0.50 O ATOM 1485 CB VAL A 92 -14.998 6.464 -3.111 1.00 -0.01 C ATOM 1486 CG1 VAL A 92 -16.212 7.357 -2.821 1.00 -0.09 C ATOM 1487 CG2 VAL A 92 -14.407 6.903 -4.455 1.00 -0.09 C ATOM 0 H VAL A 92 -13.388 4.555 -1.777 1.00 -0.46 H new ATOM 0 HA VAL A 92 -13.420 7.505 -2.148 1.00 0.04 H new ATOM 0 HB VAL A 92 -15.325 5.425 -3.142 1.00 -0.01 H new ATOM 0 HG11 VAL A 92 -16.937 7.259 -3.629 1.00 -0.09 H new ATOM 0 HG12 VAL A 92 -16.672 7.051 -1.881 1.00 -0.09 H new ATOM 0 HG13 VAL A 92 -15.890 8.396 -2.746 1.00 -0.09 H new ATOM 0 HG21 VAL A 92 -15.173 6.838 -5.228 1.00 -0.09 H new ATOM 0 HG22 VAL A 92 -14.054 7.931 -4.379 1.00 -0.09 H new ATOM 0 HG23 VAL A 92 -13.573 6.252 -4.716 1.00 -0.09 H new ATOM 1497 N ARG A 93 -14.710 7.675 0.028 1.00 -0.46 N ATOM 1498 CA ARG A 93 -15.227 7.770 1.387 1.00 0.04 C ATOM 1499 C ARG A 93 -16.672 7.276 1.467 1.00 0.62 C ATOM 1500 O ARG A 93 -17.467 7.508 0.556 1.00 -0.50 O ATOM 1501 CB ARG A 93 -15.109 9.193 1.959 1.00 -0.08 C ATOM 1502 CG ARG A 93 -13.709 9.508 2.511 1.00 -0.10 C ATOM 1503 CD ARG A 93 -12.718 9.966 1.439 1.00 -0.23 C ATOM 1504 NE ARG A 93 -13.112 11.262 0.872 1.00 -0.32 N ATOM 1505 CZ ARG A 93 -12.888 12.459 1.443 1.00 0.76 C ATOM 1506 NH1 ARG A 93 -12.153 12.572 2.558 1.00 -0.62 N ATOM 1507 NH2 ARG A 93 -13.414 13.564 0.903 1.00 -0.62 N ATOM 0 H ARG A 93 -14.502 8.578 -0.398 1.00 -0.46 H new ATOM 0 HA ARG A 93 -14.605 7.120 2.003 1.00 0.04 H new ATOM 0 HB2 ARG A 93 -15.356 9.913 1.179 1.00 -0.08 H new ATOM 0 HB3 ARG A 93 -15.844 9.320 2.754 1.00 -0.08 H new ATOM 0 HG2 ARG A 93 -13.793 10.284 3.272 1.00 -0.10 H new ATOM 0 HG3 ARG A 93 -13.314 8.620 3.004 1.00 -0.10 H new ATOM 0 HD2 ARG A 93 -11.720 10.043 1.871 1.00 -0.23 H new ATOM 0 HD3 ARG A 93 -12.665 9.220 0.646 1.00 -0.23 H new ATOM 0 HE ARG A 93 -13.594 11.254 -0.027 1.00 -0.32 H new ATOM 0 HH11 ARG A 93 -11.751 11.740 2.990 1.00 -0.62 H new ATOM 0 HH12 ARG A 93 -11.996 13.490 2.974 1.00 -0.62 H new ATOM 0 HH21 ARG A 93 -13.984 13.498 0.060 1.00 -0.62 H new ATOM 0 HH22 ARG A 93 -13.245 14.473 1.335 1.00 -0.62 H new ATOM 1521 N ALA A 94 -17.007 6.605 2.575 1.00 -0.46 N ATOM 1522 CA ALA A 94 -18.352 6.125 2.853 1.00 0.04 C ATOM 1523 C ALA A 94 -19.257 7.286 3.264 1.00 0.62 C ATOM 1524 O ALA A 94 -18.804 8.263 3.857 1.00 -0.50 O ATOM 1525 CB ALA A 94 -18.296 5.060 3.951 1.00 -0.10 C ATOM 0 H ALA A 94 -16.337 6.380 3.310 1.00 -0.46 H new ATOM 0 HA ALA A 94 -18.770 5.678 1.951 1.00 0.04 H new ATOM 0 HB1 ALA A 94 -19.303 4.700 4.160 1.00 -0.10 H new ATOM 0 HB2 ALA A 94 -17.675 4.228 3.620 1.00 -0.10 H new ATOM 0 HB3 ALA A 94 -17.870 5.493 4.856 1.00 -0.10 H new TER 1531 ALA A 94