USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 825 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 56 THR OG1 : rot -76:sc= -2.16! USER MOD Set 1.2: A 77 LYS NZ :NH3+ 177:sc= -0.0156 (180deg=-0.0333) USER MOD Set 2.1: A 36 LYS NZ :NH3+ -171:sc= -0.615! (180deg=-0.957!) USER MOD Set 2.2: A 55 ASN : amide:sc= 0.742 K(o=0.13,f=-18!) USER MOD Set 3.1: A 31 HIS : no HD1:sc= -3.1! C(o=-3.2!,f=-3.1!) USER MOD Set 3.2: A 33 LYS NZ :NH3+ 165:sc= -0.0731 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot -65:sc= -0.865! USER MOD Single : A 5 TYR OH : rot 180:sc= -2.78! USER MOD Single : A 14 SER OG : rot -47:sc= -0.335! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 120:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 110:sc= -3.19! USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.265 USER MOD Single : A 35 THR OG1 : rot -122:sc= -6.45! USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -0.158 X(o=-0.16,f=0) USER MOD Single : A 45 THR OG1 : rot -139:sc= -0.113 USER MOD Single : A 48 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0236) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.55) USER MOD Single : A 58 HIS : no HE2:sc= -4.64! C(o=-4.6!,f=-5.6!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -8.5! C(o=-8.5!,f=-9.9!) USER MOD Single : A 87 GLN : amide:sc= -9.61! C(o=-9.6!,f=-13!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.972 -19.704 4.851 1.00 0.00 N ATOM 2 CA MET A 1 -5.596 -18.888 3.768 1.00 0.00 C ATOM 3 C MET A 1 -4.944 -17.510 3.699 1.00 0.00 C ATOM 4 O MET A 1 -5.397 -16.582 4.337 1.00 0.00 O ATOM 5 CB MET A 1 -7.065 -18.739 4.169 1.00 0.00 C ATOM 6 CG MET A 1 -7.921 -18.547 2.916 1.00 0.00 C ATOM 7 SD MET A 1 -7.758 -19.997 1.843 1.00 0.00 S ATOM 8 CE MET A 1 -7.547 -19.103 0.284 1.00 0.00 C ATOM 0 H1 MET A 1 -5.426 -20.639 4.886 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.957 -19.819 4.658 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.098 -19.223 5.765 1.00 0.00 H new ATOM 0 HA MET A 1 -5.477 -19.358 2.792 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.395 -19.623 4.715 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.185 -17.887 4.838 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.965 -18.403 3.195 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.607 -17.650 2.383 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.427 -19.817 -0.531 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.425 -18.484 0.098 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.662 -18.469 0.345 1.00 0.00 H new ATOM 20 N LYS A 2 -3.896 -17.349 2.935 1.00 0.00 N ATOM 21 CA LYS A 2 -3.274 -15.993 2.866 1.00 0.00 C ATOM 22 C LYS A 2 -4.266 -15.026 2.235 1.00 0.00 C ATOM 23 O LYS A 2 -4.159 -14.676 1.076 1.00 0.00 O ATOM 24 CB LYS A 2 -2.014 -16.078 1.996 1.00 0.00 C ATOM 25 CG LYS A 2 -2.180 -17.131 0.898 1.00 0.00 C ATOM 26 CD LYS A 2 -1.469 -18.420 1.314 1.00 0.00 C ATOM 27 CE LYS A 2 -0.051 -18.429 0.735 1.00 0.00 C ATOM 28 NZ LYS A 2 0.611 -19.608 1.359 1.00 0.00 N ATOM 0 H LYS A 2 -3.453 -18.074 2.370 1.00 0.00 H new ATOM 0 HA LYS A 2 -3.011 -15.643 3.864 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -1.811 -15.106 1.546 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -1.154 -16.327 2.618 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -3.238 -17.327 0.724 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -1.766 -16.762 -0.040 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.430 -18.492 2.401 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -2.025 -19.287 0.956 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -0.069 -18.515 -0.351 1.00 0.00 H new ATOM 0 HE3 LYS A 2 0.479 -17.507 0.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 1.588 -19.682 1.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 0.619 -19.495 2.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 0.089 -20.472 1.109 1.00 0.00 H new ATOM 42 N THR A 3 -5.242 -14.604 2.980 1.00 0.00 N ATOM 43 CA THR A 3 -6.248 -13.680 2.412 1.00 0.00 C ATOM 44 C THR A 3 -6.291 -12.358 3.188 1.00 0.00 C ATOM 45 O THR A 3 -5.506 -11.463 2.950 1.00 0.00 O ATOM 46 CB THR A 3 -7.568 -14.437 2.543 1.00 0.00 C ATOM 47 OG1 THR A 3 -7.529 -15.261 3.700 1.00 0.00 O ATOM 48 CG2 THR A 3 -7.778 -15.301 1.301 1.00 0.00 C ATOM 0 H THR A 3 -5.385 -14.860 3.957 1.00 0.00 H new ATOM 0 HA THR A 3 -6.024 -13.407 1.381 1.00 0.00 H new ATOM 0 HB THR A 3 -8.391 -13.728 2.635 1.00 0.00 H new ATOM 0 HG1 THR A 3 -6.841 -15.950 3.588 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.719 -15.843 1.390 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.808 -14.665 0.416 1.00 0.00 H new ATOM 0 HG23 THR A 3 -6.957 -16.012 1.209 1.00 0.00 H new ATOM 56 N ALA A 4 -7.210 -12.223 4.102 1.00 0.00 N ATOM 57 CA ALA A 4 -7.317 -10.955 4.879 1.00 0.00 C ATOM 58 C ALA A 4 -6.427 -11.017 6.126 1.00 0.00 C ATOM 59 O ALA A 4 -5.907 -10.022 6.588 1.00 0.00 O ATOM 60 CB ALA A 4 -8.789 -10.892 5.266 1.00 0.00 C ATOM 0 H ALA A 4 -7.895 -12.938 4.346 1.00 0.00 H new ATOM 0 HA ALA A 4 -6.993 -10.080 4.316 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -8.974 -9.988 5.846 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -9.402 -10.877 4.365 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -9.046 -11.766 5.865 1.00 0.00 H new ATOM 66 N TYR A 5 -6.255 -12.192 6.658 1.00 0.00 N ATOM 67 CA TYR A 5 -5.402 -12.391 7.868 1.00 0.00 C ATOM 68 C TYR A 5 -4.199 -11.430 7.898 1.00 0.00 C ATOM 69 O TYR A 5 -3.688 -11.107 8.952 1.00 0.00 O ATOM 70 CB TYR A 5 -4.895 -13.829 7.718 1.00 0.00 C ATOM 71 CG TYR A 5 -3.863 -13.856 6.611 1.00 0.00 C ATOM 72 CD1 TYR A 5 -4.216 -13.438 5.323 1.00 0.00 C ATOM 73 CD2 TYR A 5 -2.550 -14.257 6.881 1.00 0.00 C ATOM 74 CE1 TYR A 5 -3.269 -13.419 4.304 1.00 0.00 C ATOM 75 CE2 TYR A 5 -1.594 -14.247 5.858 1.00 0.00 C ATOM 76 CZ TYR A 5 -1.948 -13.827 4.570 1.00 0.00 C ATOM 77 OH TYR A 5 -1.000 -13.828 3.566 1.00 0.00 O ATOM 0 H TYR A 5 -6.680 -13.047 6.298 1.00 0.00 H new ATOM 0 HA TYR A 5 -5.960 -12.204 8.785 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -4.457 -14.177 8.654 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -5.721 -14.500 7.484 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -5.230 -13.128 5.119 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.275 -14.574 7.876 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -3.546 -13.092 3.313 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.582 -14.564 6.063 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.143 -14.138 3.926 1.00 0.00 H new ATOM 87 N ASP A 6 -3.714 -11.003 6.759 1.00 0.00 N ATOM 88 CA ASP A 6 -2.521 -10.108 6.754 1.00 0.00 C ATOM 89 C ASP A 6 -2.355 -9.416 5.399 1.00 0.00 C ATOM 90 O ASP A 6 -2.204 -8.212 5.324 1.00 0.00 O ATOM 91 CB ASP A 6 -1.340 -11.052 6.998 1.00 0.00 C ATOM 92 CG ASP A 6 -1.167 -11.281 8.501 1.00 0.00 C ATOM 93 OD1 ASP A 6 -0.643 -10.396 9.158 1.00 0.00 O ATOM 94 OD2 ASP A 6 -1.559 -12.337 8.969 1.00 0.00 O ATOM 0 H ASP A 6 -4.090 -11.234 5.840 1.00 0.00 H new ATOM 0 HA ASP A 6 -2.603 -9.318 7.501 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -1.511 -12.002 6.493 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -0.429 -10.627 6.578 1.00 0.00 H new ATOM 99 N VAL A 7 -2.367 -10.166 4.328 1.00 0.00 N ATOM 100 CA VAL A 7 -2.194 -9.536 2.983 1.00 0.00 C ATOM 101 C VAL A 7 -3.044 -8.277 2.905 1.00 0.00 C ATOM 102 O VAL A 7 -2.553 -7.171 2.837 1.00 0.00 O ATOM 103 CB VAL A 7 -2.706 -10.550 1.946 1.00 0.00 C ATOM 104 CG1 VAL A 7 -2.439 -10.025 0.541 1.00 0.00 C ATOM 105 CG2 VAL A 7 -1.990 -11.882 2.083 1.00 0.00 C ATOM 0 H VAL A 7 -2.488 -11.179 4.324 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.151 -9.274 2.803 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.773 -10.688 2.118 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.803 -10.745 -0.192 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.955 -9.075 0.403 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.368 -9.878 0.405 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.372 -12.579 1.337 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.920 -11.738 1.930 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.162 -12.287 3.080 1.00 0.00 H new ATOM 115 N ILE A 8 -4.325 -8.448 2.905 1.00 0.00 N ATOM 116 CA ILE A 8 -5.227 -7.281 2.812 1.00 0.00 C ATOM 117 C ILE A 8 -6.045 -7.140 4.100 1.00 0.00 C ATOM 118 O ILE A 8 -7.071 -7.771 4.267 1.00 0.00 O ATOM 119 CB ILE A 8 -6.121 -7.620 1.628 1.00 0.00 C ATOM 120 CG1 ILE A 8 -5.257 -8.081 0.456 1.00 0.00 C ATOM 121 CG2 ILE A 8 -6.907 -6.379 1.201 1.00 0.00 C ATOM 122 CD1 ILE A 8 -6.123 -8.187 -0.798 1.00 0.00 C ATOM 0 H ILE A 8 -4.791 -9.353 2.966 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.702 -6.335 2.683 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.812 -8.411 1.918 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.442 -7.376 0.291 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.803 -9.046 0.681 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.546 -6.627 0.353 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.524 -6.035 2.031 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.213 -5.589 0.914 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.510 -8.516 -1.637 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.922 -8.908 -0.628 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.556 -7.213 -1.025 1.00 0.00 H new ATOM 134 N LEU A 9 -5.595 -6.324 5.014 1.00 0.00 N ATOM 135 CA LEU A 9 -6.343 -6.152 6.293 1.00 0.00 C ATOM 136 C LEU A 9 -7.542 -5.216 6.094 1.00 0.00 C ATOM 137 O LEU A 9 -8.593 -5.633 5.649 1.00 0.00 O ATOM 138 CB LEU A 9 -5.328 -5.540 7.261 1.00 0.00 C ATOM 139 CG LEU A 9 -4.233 -6.564 7.566 1.00 0.00 C ATOM 140 CD1 LEU A 9 -3.115 -5.892 8.365 1.00 0.00 C ATOM 141 CD2 LEU A 9 -4.823 -7.712 8.387 1.00 0.00 C ATOM 0 H LEU A 9 -4.743 -5.769 4.931 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.746 -7.093 6.666 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.890 -4.642 6.826 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.825 -5.238 8.183 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.830 -6.954 6.631 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.335 -6.621 8.583 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.694 -5.072 7.783 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.519 -5.503 9.300 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.043 -8.442 8.605 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.226 -7.322 9.322 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.621 -8.192 7.821 1.00 0.00 H new ATOM 153 N ALA A 10 -7.400 -3.959 6.423 1.00 0.00 N ATOM 154 CA ALA A 10 -8.541 -3.012 6.254 1.00 0.00 C ATOM 155 C ALA A 10 -8.276 -2.056 5.088 1.00 0.00 C ATOM 156 O ALA A 10 -7.170 -1.971 4.591 1.00 0.00 O ATOM 157 CB ALA A 10 -8.612 -2.242 7.572 1.00 0.00 C ATOM 0 H ALA A 10 -6.546 -3.548 6.800 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.474 -3.529 6.030 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.429 -1.522 7.529 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.785 -2.939 8.392 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.672 -1.715 7.737 1.00 0.00 H new ATOM 163 N PRO A 11 -9.312 -1.366 4.693 1.00 0.00 N ATOM 164 CA PRO A 11 -9.205 -0.399 3.572 1.00 0.00 C ATOM 165 C PRO A 11 -8.451 0.858 4.017 1.00 0.00 C ATOM 166 O PRO A 11 -8.170 1.044 5.185 1.00 0.00 O ATOM 167 CB PRO A 11 -10.658 -0.071 3.243 1.00 0.00 C ATOM 168 CG PRO A 11 -11.414 -0.342 4.505 1.00 0.00 C ATOM 169 CD PRO A 11 -10.667 -1.422 5.247 1.00 0.00 C ATOM 0 HA PRO A 11 -8.657 -0.795 2.717 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.767 0.968 2.934 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.026 -0.688 2.423 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.488 0.561 5.111 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -12.432 -0.661 4.283 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -10.666 -1.239 6.322 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -11.121 -2.400 5.090 1.00 0.00 H new ATOM 177 N VAL A 12 -8.123 1.721 3.095 1.00 0.00 N ATOM 178 CA VAL A 12 -7.387 2.965 3.463 1.00 0.00 C ATOM 179 C VAL A 12 -8.248 4.198 3.180 1.00 0.00 C ATOM 180 O VAL A 12 -8.988 4.241 2.218 1.00 0.00 O ATOM 181 CB VAL A 12 -6.145 2.973 2.573 1.00 0.00 C ATOM 182 CG1 VAL A 12 -5.518 1.578 2.553 1.00 0.00 C ATOM 183 CG2 VAL A 12 -6.541 3.377 1.150 1.00 0.00 C ATOM 0 H VAL A 12 -8.333 1.619 2.102 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.133 2.989 4.523 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.422 3.687 2.966 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.632 1.586 1.918 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.235 1.292 3.566 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.239 0.861 2.161 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.656 3.383 0.514 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.265 2.663 0.757 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.984 4.373 1.165 1.00 0.00 H new ATOM 193 N LEU A 13 -8.151 5.204 4.003 1.00 0.00 N ATOM 194 CA LEU A 13 -8.958 6.432 3.765 1.00 0.00 C ATOM 195 C LEU A 13 -8.084 7.534 3.164 1.00 0.00 C ATOM 196 O LEU A 13 -7.256 8.121 3.834 1.00 0.00 O ATOM 197 CB LEU A 13 -9.474 6.843 5.142 1.00 0.00 C ATOM 198 CG LEU A 13 -10.600 5.899 5.572 1.00 0.00 C ATOM 199 CD1 LEU A 13 -11.617 5.765 4.437 1.00 0.00 C ATOM 200 CD2 LEU A 13 -10.015 4.522 5.894 1.00 0.00 C ATOM 0 H LEU A 13 -7.550 5.229 4.827 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.773 6.259 3.062 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.663 6.813 5.869 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.838 7.870 5.113 1.00 0.00 H new ATOM 0 HG LEU A 13 -11.093 6.303 6.456 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.418 5.093 4.744 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.034 6.745 4.205 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -11.124 5.362 3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.816 3.849 6.200 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.522 4.120 5.009 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.290 4.615 6.703 1.00 0.00 H new ATOM 212 N SER A 14 -8.264 7.819 1.905 1.00 0.00 N ATOM 213 CA SER A 14 -7.450 8.884 1.253 1.00 0.00 C ATOM 214 C SER A 14 -8.088 9.284 -0.079 1.00 0.00 C ATOM 215 O SER A 14 -8.491 8.444 -0.858 1.00 0.00 O ATOM 216 CB SER A 14 -6.078 8.250 1.025 1.00 0.00 C ATOM 217 OG SER A 14 -5.673 7.569 2.206 1.00 0.00 O ATOM 0 H SER A 14 -8.942 7.359 1.297 1.00 0.00 H new ATOM 0 HA SER A 14 -7.382 9.787 1.859 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.121 7.554 0.187 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.349 9.017 0.766 1.00 0.00 H new ATOM 0 HG SER A 14 -5.822 8.146 2.984 1.00 0.00 H new ATOM 223 N GLU A 15 -8.188 10.557 -0.345 1.00 0.00 N ATOM 224 CA GLU A 15 -8.807 11.002 -1.627 1.00 0.00 C ATOM 225 C GLU A 15 -8.306 10.133 -2.783 1.00 0.00 C ATOM 226 O GLU A 15 -9.076 9.486 -3.464 1.00 0.00 O ATOM 227 CB GLU A 15 -8.351 12.451 -1.805 1.00 0.00 C ATOM 228 CG GLU A 15 -9.450 13.394 -1.315 1.00 0.00 C ATOM 229 CD GLU A 15 -9.178 14.809 -1.833 1.00 0.00 C ATOM 230 OE1 GLU A 15 -9.070 14.967 -3.038 1.00 0.00 O ATOM 231 OE2 GLU A 15 -9.082 15.709 -1.015 1.00 0.00 O ATOM 0 H GLU A 15 -7.869 11.307 0.268 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.894 10.917 -1.614 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.431 12.625 -1.246 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.129 12.648 -2.854 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.423 13.048 -1.664 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.484 13.395 -0.226 1.00 0.00 H new ATOM 238 N LYS A 16 -7.021 10.110 -3.009 1.00 0.00 N ATOM 239 CA LYS A 16 -6.476 9.279 -4.119 1.00 0.00 C ATOM 240 C LYS A 16 -6.920 7.824 -3.949 1.00 0.00 C ATOM 241 O LYS A 16 -6.873 7.036 -4.872 1.00 0.00 O ATOM 242 CB LYS A 16 -4.957 9.396 -3.997 1.00 0.00 C ATOM 243 CG LYS A 16 -4.493 10.700 -4.648 1.00 0.00 C ATOM 244 CD LYS A 16 -3.293 10.419 -5.555 1.00 0.00 C ATOM 245 CE LYS A 16 -3.582 10.946 -6.962 1.00 0.00 C ATOM 246 NZ LYS A 16 -3.864 9.731 -7.777 1.00 0.00 N ATOM 0 H LYS A 16 -6.326 10.630 -2.474 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.829 9.609 -5.096 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.663 9.376 -2.948 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.476 8.545 -4.479 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.305 11.139 -5.227 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.221 11.425 -3.881 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.400 10.897 -5.153 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.093 9.348 -5.590 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.433 11.627 -6.961 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.731 11.499 -7.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.072 10.011 -8.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.034 9.104 -7.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.683 9.229 -7.379 1.00 0.00 H new ATOM 260 N ALA A 17 -7.356 7.465 -2.772 1.00 0.00 N ATOM 261 CA ALA A 17 -7.808 6.064 -2.538 1.00 0.00 C ATOM 262 C ALA A 17 -9.331 5.980 -2.666 1.00 0.00 C ATOM 263 O ALA A 17 -9.950 5.033 -2.225 1.00 0.00 O ATOM 264 CB ALA A 17 -7.371 5.740 -1.110 1.00 0.00 C ATOM 0 H ALA A 17 -7.419 8.082 -1.962 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.386 5.364 -3.259 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -7.668 4.721 -0.861 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.288 5.831 -1.031 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.845 6.436 -0.418 1.00 0.00 H new ATOM 270 N TYR A 18 -9.937 6.967 -3.271 1.00 0.00 N ATOM 271 CA TYR A 18 -11.419 6.946 -3.434 1.00 0.00 C ATOM 272 C TYR A 18 -11.798 7.453 -4.828 1.00 0.00 C ATOM 273 O TYR A 18 -12.698 6.936 -5.461 1.00 0.00 O ATOM 274 CB TYR A 18 -11.954 7.875 -2.344 1.00 0.00 C ATOM 275 CG TYR A 18 -12.388 7.044 -1.160 1.00 0.00 C ATOM 276 CD1 TYR A 18 -13.386 6.077 -1.319 1.00 0.00 C ATOM 277 CD2 TYR A 18 -11.788 7.232 0.091 1.00 0.00 C ATOM 278 CE1 TYR A 18 -13.787 5.297 -0.227 1.00 0.00 C ATOM 279 CE2 TYR A 18 -12.188 6.452 1.182 1.00 0.00 C ATOM 280 CZ TYR A 18 -13.188 5.485 1.023 1.00 0.00 C ATOM 281 OH TYR A 18 -13.581 4.715 2.100 1.00 0.00 O ATOM 0 H TYR A 18 -9.469 7.786 -3.659 1.00 0.00 H new ATOM 0 HA TYR A 18 -11.836 5.943 -3.341 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -11.184 8.586 -2.043 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -12.794 8.457 -2.724 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -13.848 5.932 -2.284 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -11.017 7.978 0.214 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -14.558 4.551 -0.350 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -11.725 6.596 2.147 1.00 0.00 H new ATOM 0 HH TYR A 18 -12.813 4.209 2.438 1.00 0.00 H new ATOM 291 N ALA A 19 -11.113 8.449 -5.319 1.00 0.00 N ATOM 292 CA ALA A 19 -11.430 8.968 -6.680 1.00 0.00 C ATOM 293 C ALA A 19 -11.155 7.871 -7.709 1.00 0.00 C ATOM 294 O ALA A 19 -11.866 7.716 -8.682 1.00 0.00 O ATOM 295 CB ALA A 19 -10.488 10.155 -6.887 1.00 0.00 C ATOM 0 H ALA A 19 -10.350 8.925 -4.838 1.00 0.00 H new ATOM 0 HA ALA A 19 -12.473 9.267 -6.788 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.663 10.591 -7.871 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -10.674 10.906 -6.119 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.454 9.815 -6.819 1.00 0.00 H new ATOM 301 N GLY A 20 -10.142 7.084 -7.470 1.00 0.00 N ATOM 302 CA GLY A 20 -9.821 5.961 -8.392 1.00 0.00 C ATOM 303 C GLY A 20 -10.478 4.718 -7.818 1.00 0.00 C ATOM 304 O GLY A 20 -10.972 3.864 -8.527 1.00 0.00 O ATOM 0 H GLY A 20 -9.518 7.173 -6.668 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -10.194 6.167 -9.395 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.743 5.825 -8.474 1.00 0.00 H new ATOM 308 N PHE A 21 -10.511 4.640 -6.519 1.00 0.00 N ATOM 309 CA PHE A 21 -11.160 3.489 -5.847 1.00 0.00 C ATOM 310 C PHE A 21 -12.668 3.567 -6.100 1.00 0.00 C ATOM 311 O PHE A 21 -13.394 2.607 -5.928 1.00 0.00 O ATOM 312 CB PHE A 21 -10.809 3.698 -4.362 1.00 0.00 C ATOM 313 CG PHE A 21 -11.951 3.285 -3.454 1.00 0.00 C ATOM 314 CD1 PHE A 21 -13.139 4.027 -3.427 1.00 0.00 C ATOM 315 CD2 PHE A 21 -11.810 2.165 -2.630 1.00 0.00 C ATOM 316 CE1 PHE A 21 -14.185 3.644 -2.581 1.00 0.00 C ATOM 317 CE2 PHE A 21 -12.855 1.783 -1.782 1.00 0.00 C ATOM 318 CZ PHE A 21 -14.044 2.522 -1.757 1.00 0.00 C ATOM 0 H PHE A 21 -10.110 5.335 -5.889 1.00 0.00 H new ATOM 0 HA PHE A 21 -10.835 2.510 -6.198 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -9.919 3.120 -4.113 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.567 4.747 -4.189 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -13.247 4.895 -4.060 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -10.894 1.594 -2.648 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -15.102 4.215 -2.564 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -12.745 0.917 -1.146 1.00 0.00 H new ATOM 0 HZ PHE A 21 -14.851 2.226 -1.103 1.00 0.00 H new ATOM 328 N ALA A 22 -13.136 4.719 -6.494 1.00 0.00 N ATOM 329 CA ALA A 22 -14.584 4.900 -6.747 1.00 0.00 C ATOM 330 C ALA A 22 -15.011 4.142 -8.007 1.00 0.00 C ATOM 331 O ALA A 22 -16.181 3.903 -8.235 1.00 0.00 O ATOM 332 CB ALA A 22 -14.760 6.405 -6.940 1.00 0.00 C ATOM 0 H ALA A 22 -12.566 5.550 -6.652 1.00 0.00 H new ATOM 0 HA ALA A 22 -15.196 4.514 -5.931 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -15.810 6.627 -7.133 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.439 6.927 -6.039 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.157 6.736 -7.786 1.00 0.00 H new ATOM 338 N GLU A 23 -14.071 3.769 -8.829 1.00 0.00 N ATOM 339 CA GLU A 23 -14.414 3.034 -10.079 1.00 0.00 C ATOM 340 C GLU A 23 -14.450 1.527 -9.817 1.00 0.00 C ATOM 341 O GLU A 23 -14.403 0.728 -10.730 1.00 0.00 O ATOM 342 CB GLU A 23 -13.283 3.375 -11.050 1.00 0.00 C ATOM 343 CG GLU A 23 -13.871 3.943 -12.343 1.00 0.00 C ATOM 344 CD GLU A 23 -14.104 5.447 -12.181 1.00 0.00 C ATOM 345 OE1 GLU A 23 -13.441 6.043 -11.348 1.00 0.00 O ATOM 346 OE2 GLU A 23 -14.942 5.977 -12.892 1.00 0.00 O ATOM 0 H GLU A 23 -13.076 3.942 -8.689 1.00 0.00 H new ATOM 0 HA GLU A 23 -15.394 3.312 -10.467 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -12.607 4.100 -10.597 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -12.695 2.483 -11.267 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -13.193 3.757 -13.176 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -14.810 3.442 -12.579 1.00 0.00 H new ATOM 353 N GLY A 24 -14.518 1.134 -8.575 1.00 0.00 N ATOM 354 CA GLY A 24 -14.536 -0.311 -8.252 1.00 0.00 C ATOM 355 C GLY A 24 -13.144 -0.731 -7.771 1.00 0.00 C ATOM 356 O GLY A 24 -12.914 -1.868 -7.407 1.00 0.00 O ATOM 0 H GLY A 24 -14.562 1.758 -7.770 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -15.279 -0.515 -7.481 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.821 -0.890 -9.130 1.00 0.00 H new ATOM 360 N LYS A 25 -12.216 0.188 -7.767 1.00 0.00 N ATOM 361 CA LYS A 25 -10.833 -0.128 -7.310 1.00 0.00 C ATOM 362 C LYS A 25 -10.770 -0.057 -5.781 1.00 0.00 C ATOM 363 O LYS A 25 -11.318 0.840 -5.174 1.00 0.00 O ATOM 364 CB LYS A 25 -9.970 0.966 -7.945 1.00 0.00 C ATOM 365 CG LYS A 25 -9.636 0.579 -9.388 1.00 0.00 C ATOM 366 CD LYS A 25 -10.166 1.649 -10.343 1.00 0.00 C ATOM 367 CE LYS A 25 -9.429 1.552 -11.680 1.00 0.00 C ATOM 368 NZ LYS A 25 -8.674 2.830 -11.795 1.00 0.00 N ATOM 0 H LYS A 25 -12.359 1.153 -8.064 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.501 -1.127 -7.594 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.499 1.919 -7.926 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.053 1.099 -7.371 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.558 0.474 -9.506 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.079 -0.388 -9.627 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.237 1.516 -10.496 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.026 2.639 -9.910 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.758 0.693 -11.700 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.127 1.430 -12.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.142 2.840 -12.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.340 3.629 -11.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -8.013 2.916 -10.997 1.00 0.00 H new ATOM 382 N TYR A 26 -10.125 -0.999 -5.145 1.00 0.00 N ATOM 383 CA TYR A 26 -10.065 -0.961 -3.655 1.00 0.00 C ATOM 384 C TYR A 26 -8.623 -1.042 -3.146 1.00 0.00 C ATOM 385 O TYR A 26 -7.939 -2.031 -3.317 1.00 0.00 O ATOM 386 CB TYR A 26 -10.879 -2.169 -3.190 1.00 0.00 C ATOM 387 CG TYR A 26 -12.318 -2.006 -3.628 1.00 0.00 C ATOM 388 CD1 TYR A 26 -13.203 -1.235 -2.860 1.00 0.00 C ATOM 389 CD2 TYR A 26 -12.767 -2.624 -4.801 1.00 0.00 C ATOM 390 CE1 TYR A 26 -14.537 -1.085 -3.266 1.00 0.00 C ATOM 391 CE2 TYR A 26 -14.099 -2.474 -5.205 1.00 0.00 C ATOM 392 CZ TYR A 26 -14.983 -1.705 -4.439 1.00 0.00 C ATOM 393 OH TYR A 26 -16.295 -1.558 -4.840 1.00 0.00 O ATOM 0 H TYR A 26 -9.643 -1.783 -5.585 1.00 0.00 H new ATOM 0 HA TYR A 26 -10.463 -0.025 -3.264 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -10.462 -3.085 -3.608 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.826 -2.261 -2.105 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -12.857 -0.757 -1.956 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -12.086 -3.216 -5.394 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -15.219 -0.492 -2.675 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -14.445 -2.952 -6.109 1.00 0.00 H new ATOM 0 HH TYR A 26 -16.331 -0.998 -5.643 1.00 0.00 H new ATOM 403 N THR A 27 -8.178 0.002 -2.499 1.00 0.00 N ATOM 404 CA THR A 27 -6.803 0.035 -1.940 1.00 0.00 C ATOM 405 C THR A 27 -6.792 -0.662 -0.584 1.00 0.00 C ATOM 406 O THR A 27 -7.718 -0.544 0.193 1.00 0.00 O ATOM 407 CB THR A 27 -6.475 1.520 -1.782 1.00 0.00 C ATOM 408 OG1 THR A 27 -6.949 2.232 -2.918 1.00 0.00 O ATOM 409 CG2 THR A 27 -4.960 1.699 -1.653 1.00 0.00 C ATOM 0 H THR A 27 -8.724 0.848 -2.333 1.00 0.00 H new ATOM 0 HA THR A 27 -6.077 -0.472 -2.575 1.00 0.00 H new ATOM 0 HB THR A 27 -6.959 1.908 -0.886 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.741 3.184 -2.817 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.727 2.758 -1.540 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.602 1.154 -0.780 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.471 1.313 -2.547 1.00 0.00 H new ATOM 417 N PHE A 28 -5.763 -1.395 -0.299 1.00 0.00 N ATOM 418 CA PHE A 28 -5.707 -2.111 1.002 1.00 0.00 C ATOM 419 C PHE A 28 -4.344 -1.937 1.661 1.00 0.00 C ATOM 420 O PHE A 28 -3.377 -1.575 1.024 1.00 0.00 O ATOM 421 CB PHE A 28 -5.924 -3.578 0.645 1.00 0.00 C ATOM 422 CG PHE A 28 -7.281 -3.752 0.018 1.00 0.00 C ATOM 423 CD1 PHE A 28 -8.405 -3.168 0.610 1.00 0.00 C ATOM 424 CD2 PHE A 28 -7.415 -4.499 -1.156 1.00 0.00 C ATOM 425 CE1 PHE A 28 -9.666 -3.330 0.029 1.00 0.00 C ATOM 426 CE2 PHE A 28 -8.678 -4.662 -1.740 1.00 0.00 C ATOM 427 CZ PHE A 28 -9.803 -4.077 -1.147 1.00 0.00 C ATOM 0 H PHE A 28 -4.956 -1.532 -0.908 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.449 -1.731 1.705 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.149 -3.913 -0.044 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.844 -4.196 1.540 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -8.299 -2.591 1.517 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.546 -4.950 -1.612 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -10.534 -2.879 0.487 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -8.784 -5.239 -2.647 1.00 0.00 H new ATOM 0 HZ PHE A 28 -10.777 -4.202 -1.597 1.00 0.00 H new ATOM 437 N TRP A 29 -4.251 -2.237 2.925 1.00 0.00 N ATOM 438 CA TRP A 29 -2.945 -2.142 3.618 1.00 0.00 C ATOM 439 C TRP A 29 -2.366 -3.544 3.619 1.00 0.00 C ATOM 440 O TRP A 29 -3.001 -4.479 4.066 1.00 0.00 O ATOM 441 CB TRP A 29 -3.262 -1.673 5.038 1.00 0.00 C ATOM 442 CG TRP A 29 -3.301 -0.178 5.074 1.00 0.00 C ATOM 443 CD1 TRP A 29 -4.368 0.560 5.455 1.00 0.00 C ATOM 444 CD2 TRP A 29 -2.252 0.770 4.723 1.00 0.00 C ATOM 445 NE1 TRP A 29 -4.041 1.902 5.363 1.00 0.00 N ATOM 446 CE2 TRP A 29 -2.747 2.081 4.916 1.00 0.00 C ATOM 447 CE3 TRP A 29 -0.930 0.622 4.262 1.00 0.00 C ATOM 448 CZ2 TRP A 29 -1.961 3.206 4.659 1.00 0.00 C ATOM 449 CZ3 TRP A 29 -0.136 1.752 4.003 1.00 0.00 C ATOM 450 CH2 TRP A 29 -0.652 3.041 4.202 1.00 0.00 C ATOM 0 H TRP A 29 -5.029 -2.545 3.508 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.235 -1.457 3.154 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.220 -2.080 5.361 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -2.508 -2.044 5.732 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.320 0.167 5.778 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.677 2.664 5.597 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.524 -0.366 4.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -2.363 4.197 4.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.877 1.627 3.649 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.037 3.906 4.002 1.00 0.00 H new ATOM 461 N VAL A 30 -1.208 -3.729 3.076 1.00 0.00 N ATOM 462 CA VAL A 30 -0.679 -5.099 3.010 1.00 0.00 C ATOM 463 C VAL A 30 0.806 -5.154 3.333 1.00 0.00 C ATOM 464 O VAL A 30 1.502 -4.159 3.353 1.00 0.00 O ATOM 465 CB VAL A 30 -0.955 -5.496 1.572 1.00 0.00 C ATOM 466 CG1 VAL A 30 -0.199 -4.572 0.618 1.00 0.00 C ATOM 467 CG2 VAL A 30 -0.523 -6.924 1.340 1.00 0.00 C ATOM 0 H VAL A 30 -0.613 -3.001 2.681 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.138 -5.768 3.738 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.025 -5.408 1.383 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.404 -4.866 -0.412 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.524 -3.543 0.774 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.871 -4.647 0.810 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.724 -7.202 0.305 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.544 -7.018 1.540 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.077 -7.585 2.007 1.00 0.00 H new ATOM 477 N HIS A 31 1.276 -6.332 3.594 1.00 0.00 N ATOM 478 CA HIS A 31 2.713 -6.522 3.935 1.00 0.00 C ATOM 479 C HIS A 31 3.560 -6.556 2.663 1.00 0.00 C ATOM 480 O HIS A 31 3.083 -6.929 1.610 1.00 0.00 O ATOM 481 CB HIS A 31 2.764 -7.875 4.649 1.00 0.00 C ATOM 482 CG HIS A 31 3.684 -7.787 5.835 1.00 0.00 C ATOM 483 ND1 HIS A 31 3.577 -6.780 6.781 1.00 0.00 N ATOM 484 CD2 HIS A 31 4.732 -8.575 6.242 1.00 0.00 C ATOM 485 CE1 HIS A 31 4.536 -6.986 7.702 1.00 0.00 C ATOM 486 NE2 HIS A 31 5.269 -8.067 7.422 1.00 0.00 N ATOM 0 H HIS A 31 0.721 -7.188 3.587 1.00 0.00 H new ATOM 0 HA HIS A 31 3.105 -5.714 4.552 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.764 -8.164 4.973 1.00 0.00 H new ATOM 0 HB3 HIS A 31 3.113 -8.647 3.962 1.00 0.00 H new ATOM 0 HD2 HIS A 31 5.086 -9.455 5.726 1.00 0.00 H new ATOM 0 HE1 HIS A 31 4.694 -6.354 8.563 1.00 0.00 H new ATOM 0 HE2 HIS A 31 6.053 -8.440 7.957 1.00 0.00 H new ATOM 494 N PRO A 32 4.796 -6.169 2.808 1.00 0.00 N ATOM 495 CA PRO A 32 5.730 -6.159 1.656 1.00 0.00 C ATOM 496 C PRO A 32 6.078 -7.593 1.262 1.00 0.00 C ATOM 497 O PRO A 32 7.204 -8.033 1.394 1.00 0.00 O ATOM 498 CB PRO A 32 6.952 -5.426 2.195 1.00 0.00 C ATOM 499 CG PRO A 32 6.895 -5.619 3.676 1.00 0.00 C ATOM 500 CD PRO A 32 5.438 -5.711 4.044 1.00 0.00 C ATOM 0 HA PRO A 32 5.321 -5.684 0.764 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.873 -5.834 1.779 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.925 -4.368 1.933 1.00 0.00 H new ATOM 0 HG2 PRO A 32 7.426 -6.525 3.969 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.373 -4.787 4.193 1.00 0.00 H new ATOM 0 HD2 PRO A 32 5.275 -6.411 4.863 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.045 -4.747 4.366 1.00 0.00 H new ATOM 508 N LYS A 33 5.112 -8.327 0.794 1.00 0.00 N ATOM 509 CA LYS A 33 5.365 -9.741 0.404 1.00 0.00 C ATOM 510 C LYS A 33 4.070 -10.374 -0.104 1.00 0.00 C ATOM 511 O LYS A 33 4.078 -11.202 -0.992 1.00 0.00 O ATOM 512 CB LYS A 33 5.831 -10.430 1.690 1.00 0.00 C ATOM 513 CG LYS A 33 4.972 -9.964 2.871 1.00 0.00 C ATOM 514 CD LYS A 33 4.250 -11.165 3.485 1.00 0.00 C ATOM 515 CE LYS A 33 5.279 -12.209 3.926 1.00 0.00 C ATOM 516 NZ LYS A 33 5.652 -11.819 5.315 1.00 0.00 N ATOM 0 H LYS A 33 4.152 -8.008 0.664 1.00 0.00 H new ATOM 0 HA LYS A 33 6.103 -9.830 -0.393 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.758 -11.512 1.580 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.879 -10.199 1.878 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.598 -9.481 3.621 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.246 -9.223 2.536 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.652 -10.846 4.338 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.563 -11.600 2.759 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.859 -13.214 3.898 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.149 -12.208 3.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.148 -12.609 5.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.276 -10.988 5.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.793 -11.588 5.853 1.00 0.00 H new ATOM 530 N ALA A 34 2.955 -9.983 0.453 1.00 0.00 N ATOM 531 CA ALA A 34 1.655 -10.552 0.003 1.00 0.00 C ATOM 532 C ALA A 34 1.636 -10.644 -1.526 1.00 0.00 C ATOM 533 O ALA A 34 1.332 -9.684 -2.207 1.00 0.00 O ATOM 534 CB ALA A 34 0.604 -9.558 0.494 1.00 0.00 C ATOM 0 H ALA A 34 2.890 -9.293 1.201 1.00 0.00 H new ATOM 0 HA ALA A 34 1.477 -11.556 0.389 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.388 -9.904 0.203 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.657 -9.480 1.580 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.792 -8.580 0.050 1.00 0.00 H new ATOM 540 N THR A 35 1.971 -11.783 -2.068 1.00 0.00 N ATOM 541 CA THR A 35 1.987 -11.934 -3.555 1.00 0.00 C ATOM 542 C THR A 35 0.803 -11.201 -4.191 1.00 0.00 C ATOM 543 O THR A 35 -0.320 -11.304 -3.739 1.00 0.00 O ATOM 544 CB THR A 35 1.876 -13.440 -3.800 1.00 0.00 C ATOM 545 OG1 THR A 35 1.370 -14.072 -2.633 1.00 0.00 O ATOM 546 CG2 THR A 35 3.257 -14.005 -4.132 1.00 0.00 C ATOM 0 H THR A 35 2.235 -12.618 -1.546 1.00 0.00 H new ATOM 0 HA THR A 35 2.888 -11.508 -3.996 1.00 0.00 H new ATOM 0 HB THR A 35 1.200 -13.625 -4.634 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.004 -14.755 -2.329 1.00 0.00 H new ATOM 0 HG21 THR A 35 3.179 -15.078 -4.307 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.643 -13.519 -5.028 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.935 -13.822 -3.299 1.00 0.00 H new ATOM 554 N LYS A 36 1.046 -10.460 -5.240 1.00 0.00 N ATOM 555 CA LYS A 36 -0.066 -9.722 -5.905 1.00 0.00 C ATOM 556 C LYS A 36 -1.263 -10.655 -6.103 1.00 0.00 C ATOM 557 O LYS A 36 -2.384 -10.316 -5.782 1.00 0.00 O ATOM 558 CB LYS A 36 0.500 -9.271 -7.252 1.00 0.00 C ATOM 559 CG LYS A 36 0.740 -7.759 -7.223 1.00 0.00 C ATOM 560 CD LYS A 36 0.151 -7.121 -8.483 1.00 0.00 C ATOM 561 CE LYS A 36 -0.094 -5.629 -8.236 1.00 0.00 C ATOM 562 NZ LYS A 36 -0.122 -5.016 -9.594 1.00 0.00 N ATOM 0 H LYS A 36 1.965 -10.335 -5.664 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.415 -8.875 -5.315 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.433 -9.794 -7.460 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.194 -9.525 -8.054 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.281 -7.325 -6.335 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.808 -7.551 -7.164 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.833 -7.254 -9.323 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.784 -7.614 -8.750 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.034 -5.465 -7.709 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.696 -5.195 -7.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.132 -3.980 -9.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.722 -5.310 -10.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.975 -5.330 -10.099 1.00 0.00 H new ATOM 576 N THR A 37 -1.035 -11.832 -6.620 1.00 0.00 N ATOM 577 CA THR A 37 -2.167 -12.780 -6.820 1.00 0.00 C ATOM 578 C THR A 37 -2.789 -13.122 -5.466 1.00 0.00 C ATOM 579 O THR A 37 -3.991 -13.214 -5.330 1.00 0.00 O ATOM 580 CB THR A 37 -1.548 -14.011 -7.462 1.00 0.00 C ATOM 581 OG1 THR A 37 -1.326 -13.762 -8.844 1.00 0.00 O ATOM 582 CG2 THR A 37 -2.481 -15.212 -7.299 1.00 0.00 C ATOM 0 H THR A 37 -0.120 -12.176 -6.911 1.00 0.00 H new ATOM 0 HA THR A 37 -2.960 -12.366 -7.443 1.00 0.00 H new ATOM 0 HB THR A 37 -0.599 -14.231 -6.973 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.925 -14.554 -9.259 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.029 -16.089 -7.762 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.644 -15.405 -6.239 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.436 -14.999 -7.780 1.00 0.00 H new ATOM 590 N GLU A 38 -1.978 -13.293 -4.458 1.00 0.00 N ATOM 591 CA GLU A 38 -2.530 -13.609 -3.111 1.00 0.00 C ATOM 592 C GLU A 38 -3.529 -12.522 -2.717 1.00 0.00 C ATOM 593 O GLU A 38 -4.583 -12.793 -2.178 1.00 0.00 O ATOM 594 CB GLU A 38 -1.324 -13.601 -2.172 1.00 0.00 C ATOM 595 CG GLU A 38 -0.925 -15.040 -1.839 1.00 0.00 C ATOM 596 CD GLU A 38 0.039 -15.041 -0.652 1.00 0.00 C ATOM 597 OE1 GLU A 38 -0.262 -14.385 0.331 1.00 0.00 O ATOM 598 OE2 GLU A 38 1.064 -15.698 -0.747 1.00 0.00 O ATOM 0 H GLU A 38 -0.961 -13.228 -4.509 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.051 -14.566 -3.078 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.489 -13.080 -2.640 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.565 -13.059 -1.258 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.811 -15.629 -1.602 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.454 -15.507 -2.704 1.00 0.00 H new ATOM 605 N ILE A 39 -3.207 -11.290 -3.003 1.00 0.00 N ATOM 606 CA ILE A 39 -4.137 -10.177 -2.669 1.00 0.00 C ATOM 607 C ILE A 39 -5.479 -10.424 -3.362 1.00 0.00 C ATOM 608 O ILE A 39 -6.526 -10.059 -2.866 1.00 0.00 O ATOM 609 CB ILE A 39 -3.443 -8.920 -3.210 1.00 0.00 C ATOM 610 CG1 ILE A 39 -2.303 -8.537 -2.263 1.00 0.00 C ATOM 611 CG2 ILE A 39 -4.433 -7.756 -3.303 1.00 0.00 C ATOM 612 CD1 ILE A 39 -1.291 -7.663 -3.004 1.00 0.00 C ATOM 0 H ILE A 39 -2.337 -11.007 -3.455 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.344 -10.084 -1.603 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.055 -9.129 -4.207 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.698 -8.001 -1.400 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.815 -9.435 -1.884 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.922 -6.874 -3.689 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.249 -8.025 -3.974 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.834 -7.539 -2.313 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.480 -7.392 -2.328 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.886 -8.215 -3.853 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.784 -6.759 -3.361 1.00 0.00 H new ATOM 624 N LYS A 40 -5.454 -11.057 -4.499 1.00 0.00 N ATOM 625 CA LYS A 40 -6.725 -11.347 -5.220 1.00 0.00 C ATOM 626 C LYS A 40 -7.636 -12.201 -4.339 1.00 0.00 C ATOM 627 O LYS A 40 -8.813 -11.936 -4.194 1.00 0.00 O ATOM 628 CB LYS A 40 -6.293 -12.140 -6.454 1.00 0.00 C ATOM 629 CG LYS A 40 -7.497 -12.352 -7.371 1.00 0.00 C ATOM 630 CD LYS A 40 -7.324 -13.662 -8.143 1.00 0.00 C ATOM 631 CE LYS A 40 -7.726 -13.452 -9.604 1.00 0.00 C ATOM 632 NZ LYS A 40 -6.566 -13.948 -10.396 1.00 0.00 N ATOM 0 H LYS A 40 -4.607 -11.387 -4.962 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.277 -10.444 -5.479 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.507 -11.605 -6.986 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.877 -13.102 -6.154 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.415 -12.382 -6.783 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.590 -11.517 -8.066 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.288 -13.997 -8.085 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.937 -14.444 -7.695 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.635 -14.003 -9.847 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.926 -12.401 -9.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.766 -13.837 -11.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.717 -13.401 -10.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.404 -14.953 -10.183 1.00 0.00 H new ATOM 646 N ASN A 41 -7.091 -13.231 -3.761 1.00 0.00 N ATOM 647 CA ASN A 41 -7.902 -14.130 -2.892 1.00 0.00 C ATOM 648 C ASN A 41 -8.239 -13.455 -1.558 1.00 0.00 C ATOM 649 O ASN A 41 -9.288 -13.684 -0.990 1.00 0.00 O ATOM 650 CB ASN A 41 -7.017 -15.355 -2.661 1.00 0.00 C ATOM 651 CG ASN A 41 -7.114 -16.290 -3.868 1.00 0.00 C ATOM 652 OD1 ASN A 41 -7.688 -17.357 -3.778 1.00 0.00 O ATOM 653 ND2 ASN A 41 -6.573 -15.933 -5.000 1.00 0.00 N ATOM 0 H ASN A 41 -6.109 -13.493 -3.853 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.855 -14.386 -3.355 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.983 -15.046 -2.509 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.330 -15.877 -1.757 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.632 -16.550 -5.810 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -6.091 -15.037 -5.075 1.00 0.00 H new ATOM 660 N ALA A 42 -7.359 -12.640 -1.036 1.00 0.00 N ATOM 661 CA ALA A 42 -7.655 -11.987 0.273 1.00 0.00 C ATOM 662 C ALA A 42 -8.951 -11.175 0.188 1.00 0.00 C ATOM 663 O ALA A 42 -9.834 -11.328 1.007 1.00 0.00 O ATOM 664 CB ALA A 42 -6.442 -11.098 0.583 1.00 0.00 C ATOM 0 H ALA A 42 -6.460 -12.401 -1.453 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.810 -12.717 1.067 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.597 -10.589 1.534 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.545 -11.714 0.643 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.321 -10.358 -0.208 1.00 0.00 H new ATOM 670 N VAL A 43 -9.095 -10.330 -0.795 1.00 0.00 N ATOM 671 CA VAL A 43 -10.366 -9.553 -0.898 1.00 0.00 C ATOM 672 C VAL A 43 -11.520 -10.503 -1.226 1.00 0.00 C ATOM 673 O VAL A 43 -12.639 -10.310 -0.793 1.00 0.00 O ATOM 674 CB VAL A 43 -10.165 -8.538 -2.024 1.00 0.00 C ATOM 675 CG1 VAL A 43 -9.295 -7.390 -1.516 1.00 0.00 C ATOM 676 CG2 VAL A 43 -9.485 -9.204 -3.221 1.00 0.00 C ATOM 0 H VAL A 43 -8.402 -10.144 -1.520 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.608 -9.047 0.037 1.00 0.00 H new ATOM 0 HB VAL A 43 -11.136 -8.156 -2.339 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.149 -6.663 -2.315 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -9.787 -6.907 -0.672 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.328 -7.780 -1.198 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.348 -8.471 -4.016 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -8.514 -9.595 -2.917 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -10.108 -10.021 -3.585 1.00 0.00 H new ATOM 686 N GLU A 44 -11.252 -11.542 -1.972 1.00 0.00 N ATOM 687 CA GLU A 44 -12.330 -12.514 -2.305 1.00 0.00 C ATOM 688 C GLU A 44 -12.721 -13.271 -1.035 1.00 0.00 C ATOM 689 O GLU A 44 -13.885 -13.448 -0.733 1.00 0.00 O ATOM 690 CB GLU A 44 -11.710 -13.462 -3.333 1.00 0.00 C ATOM 691 CG GLU A 44 -12.331 -13.203 -4.707 1.00 0.00 C ATOM 692 CD GLU A 44 -13.715 -13.851 -4.769 1.00 0.00 C ATOM 693 OE1 GLU A 44 -14.512 -13.592 -3.882 1.00 0.00 O ATOM 694 OE2 GLU A 44 -13.955 -14.598 -5.704 1.00 0.00 O ATOM 0 H GLU A 44 -10.335 -11.758 -2.363 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.229 -12.039 -2.698 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.631 -13.313 -3.376 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.877 -14.497 -3.036 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -12.411 -12.131 -4.886 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.691 -13.610 -5.490 1.00 0.00 H new ATOM 701 N THR A 45 -11.746 -13.697 -0.281 1.00 0.00 N ATOM 702 CA THR A 45 -12.033 -14.420 0.985 1.00 0.00 C ATOM 703 C THR A 45 -12.404 -13.403 2.069 1.00 0.00 C ATOM 704 O THR A 45 -12.955 -13.743 3.097 1.00 0.00 O ATOM 705 CB THR A 45 -10.728 -15.154 1.306 1.00 0.00 C ATOM 706 OG1 THR A 45 -10.868 -16.527 0.965 1.00 0.00 O ATOM 707 CG2 THR A 45 -10.380 -15.036 2.794 1.00 0.00 C ATOM 0 H THR A 45 -10.756 -13.573 -0.491 1.00 0.00 H new ATOM 0 HA THR A 45 -12.868 -15.118 0.917 1.00 0.00 H new ATOM 0 HB THR A 45 -9.924 -14.699 0.727 1.00 0.00 H new ATOM 0 HG1 THR A 45 -10.449 -17.080 1.657 1.00 0.00 H new ATOM 0 HG21 THR A 45 -9.449 -15.566 2.993 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.262 -13.985 3.058 1.00 0.00 H new ATOM 0 HG23 THR A 45 -11.181 -15.473 3.391 1.00 0.00 H new ATOM 715 N ALA A 46 -12.096 -12.156 1.841 1.00 0.00 N ATOM 716 CA ALA A 46 -12.419 -11.110 2.850 1.00 0.00 C ATOM 717 C ALA A 46 -13.635 -10.293 2.399 1.00 0.00 C ATOM 718 O ALA A 46 -14.689 -10.348 3.001 1.00 0.00 O ATOM 719 CB ALA A 46 -11.176 -10.225 2.911 1.00 0.00 C ATOM 0 H ALA A 46 -11.634 -11.816 0.998 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.667 -11.537 3.822 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.334 -9.426 3.635 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.317 -10.824 3.213 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.989 -9.792 1.928 1.00 0.00 H new ATOM 725 N PHE A 47 -13.493 -9.530 1.347 1.00 0.00 N ATOM 726 CA PHE A 47 -14.637 -8.702 0.862 1.00 0.00 C ATOM 727 C PHE A 47 -15.704 -9.593 0.218 1.00 0.00 C ATOM 728 O PHE A 47 -16.856 -9.223 0.112 1.00 0.00 O ATOM 729 CB PHE A 47 -14.030 -7.764 -0.182 1.00 0.00 C ATOM 730 CG PHE A 47 -13.200 -6.709 0.510 1.00 0.00 C ATOM 731 CD1 PHE A 47 -13.817 -5.772 1.347 1.00 0.00 C ATOM 732 CD2 PHE A 47 -11.815 -6.669 0.314 1.00 0.00 C ATOM 733 CE1 PHE A 47 -13.048 -4.794 1.988 1.00 0.00 C ATOM 734 CE2 PHE A 47 -11.045 -5.691 0.956 1.00 0.00 C ATOM 735 CZ PHE A 47 -11.662 -4.754 1.793 1.00 0.00 C ATOM 0 H PHE A 47 -12.635 -9.444 0.803 1.00 0.00 H new ATOM 0 HA PHE A 47 -15.123 -8.158 1.672 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -13.411 -8.330 -0.878 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -14.820 -7.294 -0.767 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -14.886 -5.804 1.498 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -11.340 -7.392 -0.332 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -13.524 -4.070 2.633 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.976 -5.660 0.805 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.069 -4.000 2.289 1.00 0.00 H new ATOM 745 N LYS A 48 -15.327 -10.765 -0.213 1.00 0.00 N ATOM 746 CA LYS A 48 -16.314 -11.683 -0.852 1.00 0.00 C ATOM 747 C LYS A 48 -16.827 -11.079 -2.158 1.00 0.00 C ATOM 748 O LYS A 48 -18.012 -11.061 -2.428 1.00 0.00 O ATOM 749 CB LYS A 48 -17.449 -11.822 0.164 1.00 0.00 C ATOM 750 CG LYS A 48 -17.582 -13.288 0.582 1.00 0.00 C ATOM 751 CD LYS A 48 -18.838 -13.887 -0.049 1.00 0.00 C ATOM 752 CE LYS A 48 -19.991 -13.834 0.955 1.00 0.00 C ATOM 753 NZ LYS A 48 -20.874 -12.737 0.470 1.00 0.00 N ATOM 0 H LYS A 48 -14.376 -11.128 -0.150 1.00 0.00 H new ATOM 0 HA LYS A 48 -15.877 -12.650 -1.102 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -17.248 -11.201 1.037 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -18.385 -11.470 -0.270 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -16.702 -13.848 0.267 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -17.636 -13.364 1.668 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -19.102 -13.336 -0.951 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -18.650 -14.918 -0.349 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -20.525 -14.783 0.993 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -19.628 -13.632 1.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -21.723 -12.684 1.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -20.361 -11.833 0.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -21.155 -12.927 -0.513 1.00 0.00 H new ATOM 767 N VAL A 49 -15.938 -10.583 -2.967 1.00 0.00 N ATOM 768 CA VAL A 49 -16.350 -9.976 -4.257 1.00 0.00 C ATOM 769 C VAL A 49 -15.628 -10.667 -5.420 1.00 0.00 C ATOM 770 O VAL A 49 -15.144 -11.774 -5.296 1.00 0.00 O ATOM 771 CB VAL A 49 -15.939 -8.501 -4.124 1.00 0.00 C ATOM 772 CG1 VAL A 49 -14.585 -8.234 -4.796 1.00 0.00 C ATOM 773 CG2 VAL A 49 -17.006 -7.633 -4.769 1.00 0.00 C ATOM 0 H VAL A 49 -14.934 -10.572 -2.787 1.00 0.00 H new ATOM 0 HA VAL A 49 -17.415 -10.081 -4.464 1.00 0.00 H new ATOM 0 HB VAL A 49 -15.841 -8.262 -3.065 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -14.324 -7.182 -4.683 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -13.818 -8.850 -4.327 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -14.650 -8.480 -5.856 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -16.724 -6.584 -4.680 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -17.101 -7.895 -5.823 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -17.960 -7.796 -4.267 1.00 0.00 H new ATOM 783 N LYS A 50 -15.542 -10.013 -6.544 1.00 0.00 N ATOM 784 CA LYS A 50 -14.838 -10.624 -7.708 1.00 0.00 C ATOM 785 C LYS A 50 -13.618 -9.779 -8.076 1.00 0.00 C ATOM 786 O LYS A 50 -13.741 -8.672 -8.561 1.00 0.00 O ATOM 787 CB LYS A 50 -15.854 -10.623 -8.850 1.00 0.00 C ATOM 788 CG LYS A 50 -15.548 -11.786 -9.795 1.00 0.00 C ATOM 789 CD LYS A 50 -14.536 -11.334 -10.849 1.00 0.00 C ATOM 790 CE LYS A 50 -14.797 -12.077 -12.161 1.00 0.00 C ATOM 791 NZ LYS A 50 -13.967 -13.312 -12.075 1.00 0.00 N ATOM 0 H LYS A 50 -15.928 -9.083 -6.708 1.00 0.00 H new ATOM 0 HA LYS A 50 -14.483 -11.632 -7.491 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -16.865 -10.717 -8.454 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -15.810 -9.678 -9.391 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -15.150 -12.631 -9.232 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -16.464 -12.127 -10.278 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -14.615 -10.258 -11.006 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.522 -11.532 -10.503 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -15.854 -12.319 -12.275 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.514 -11.470 -13.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.092 -13.876 -12.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.965 -13.051 -11.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.263 -13.873 -11.251 1.00 0.00 H new ATOM 805 N VAL A 51 -12.442 -10.287 -7.844 1.00 0.00 N ATOM 806 CA VAL A 51 -11.218 -9.506 -8.176 1.00 0.00 C ATOM 807 C VAL A 51 -10.931 -9.581 -9.675 1.00 0.00 C ATOM 808 O VAL A 51 -10.727 -10.645 -10.227 1.00 0.00 O ATOM 809 CB VAL A 51 -10.093 -10.170 -7.386 1.00 0.00 C ATOM 810 CG1 VAL A 51 -8.773 -9.466 -7.699 1.00 0.00 C ATOM 811 CG2 VAL A 51 -10.388 -10.061 -5.888 1.00 0.00 C ATOM 0 H VAL A 51 -12.274 -11.208 -7.439 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.326 -8.451 -7.924 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.021 -11.221 -7.665 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.967 -9.937 -7.137 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.564 -9.542 -8.766 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.845 -8.415 -7.418 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.585 -10.535 -5.324 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.458 -9.010 -5.607 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -11.331 -10.560 -5.666 1.00 0.00 H new ATOM 821 N VAL A 52 -10.905 -8.459 -10.338 1.00 0.00 N ATOM 822 CA VAL A 52 -10.624 -8.466 -11.799 1.00 0.00 C ATOM 823 C VAL A 52 -9.275 -7.795 -12.076 1.00 0.00 C ATOM 824 O VAL A 52 -8.873 -7.630 -13.211 1.00 0.00 O ATOM 825 CB VAL A 52 -11.771 -7.674 -12.430 1.00 0.00 C ATOM 826 CG1 VAL A 52 -11.682 -6.205 -12.026 1.00 0.00 C ATOM 827 CG2 VAL A 52 -11.681 -7.769 -13.943 1.00 0.00 C ATOM 0 H VAL A 52 -11.066 -7.538 -9.931 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.563 -9.475 -12.207 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.716 -8.091 -12.082 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.504 -5.652 -12.481 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.746 -6.122 -10.941 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.733 -5.791 -12.367 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.498 -7.205 -14.392 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -10.729 -7.357 -14.277 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.751 -8.813 -14.247 1.00 0.00 H new ATOM 837 N LYS A 53 -8.573 -7.411 -11.043 1.00 0.00 N ATOM 838 CA LYS A 53 -7.248 -6.753 -11.239 1.00 0.00 C ATOM 839 C LYS A 53 -6.755 -6.161 -9.916 1.00 0.00 C ATOM 840 O LYS A 53 -7.392 -5.307 -9.333 1.00 0.00 O ATOM 841 CB LYS A 53 -7.496 -5.643 -12.260 1.00 0.00 C ATOM 842 CG LYS A 53 -6.845 -6.020 -13.591 1.00 0.00 C ATOM 843 CD LYS A 53 -6.083 -4.815 -14.145 1.00 0.00 C ATOM 844 CE LYS A 53 -5.023 -5.293 -15.141 1.00 0.00 C ATOM 845 NZ LYS A 53 -5.791 -5.965 -16.227 1.00 0.00 N ATOM 0 H LYS A 53 -8.860 -7.525 -10.071 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.487 -7.455 -11.581 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.567 -5.492 -12.396 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.086 -4.701 -11.896 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.165 -6.860 -13.450 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.606 -6.341 -14.302 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.774 -4.129 -14.635 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.610 -4.265 -13.331 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.440 -4.458 -15.528 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.321 -5.981 -14.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.218 -5.987 -17.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.020 -6.938 -15.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.671 -5.440 -16.406 1.00 0.00 H new ATOM 859 N VAL A 54 -5.622 -6.603 -9.440 1.00 0.00 N ATOM 860 CA VAL A 54 -5.094 -6.055 -8.158 1.00 0.00 C ATOM 861 C VAL A 54 -3.801 -5.277 -8.413 1.00 0.00 C ATOM 862 O VAL A 54 -2.892 -5.754 -9.061 1.00 0.00 O ATOM 863 CB VAL A 54 -4.840 -7.285 -7.261 1.00 0.00 C ATOM 864 CG1 VAL A 54 -3.503 -7.155 -6.518 1.00 0.00 C ATOM 865 CG2 VAL A 54 -5.956 -7.389 -6.227 1.00 0.00 C ATOM 0 H VAL A 54 -5.042 -7.316 -9.881 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.788 -5.360 -7.686 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.812 -8.172 -7.894 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.347 -8.034 -5.893 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.691 -7.076 -7.241 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.520 -6.263 -5.892 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.782 -8.256 -5.590 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.971 -6.487 -5.615 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.914 -7.498 -6.735 1.00 0.00 H new ATOM 875 N ASN A 55 -3.707 -4.092 -7.886 1.00 0.00 N ATOM 876 CA ASN A 55 -2.467 -3.297 -8.072 1.00 0.00 C ATOM 877 C ASN A 55 -2.007 -2.757 -6.724 1.00 0.00 C ATOM 878 O ASN A 55 -2.683 -1.971 -6.095 1.00 0.00 O ATOM 879 CB ASN A 55 -2.853 -2.158 -9.017 1.00 0.00 C ATOM 880 CG ASN A 55 -1.651 -1.786 -9.887 1.00 0.00 C ATOM 881 OD1 ASN A 55 -0.683 -2.517 -9.952 1.00 0.00 O ATOM 882 ND2 ASN A 55 -1.671 -0.670 -10.563 1.00 0.00 N ATOM 0 H ASN A 55 -4.436 -3.639 -7.334 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.646 -3.886 -8.482 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.690 -2.461 -9.646 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.182 -1.291 -8.444 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.874 -0.412 -11.145 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.483 -0.056 -10.509 1.00 0.00 H new ATOM 889 N THR A 56 -0.865 -3.174 -6.271 1.00 0.00 N ATOM 890 CA THR A 56 -0.376 -2.684 -4.955 1.00 0.00 C ATOM 891 C THR A 56 0.917 -1.889 -5.142 1.00 0.00 C ATOM 892 O THR A 56 1.579 -1.992 -6.156 1.00 0.00 O ATOM 893 CB THR A 56 -0.136 -3.929 -4.072 1.00 0.00 C ATOM 894 OG1 THR A 56 1.190 -3.893 -3.563 1.00 0.00 O ATOM 895 CG2 THR A 56 -0.335 -5.228 -4.863 1.00 0.00 C ATOM 0 H THR A 56 -0.249 -3.830 -6.751 1.00 0.00 H new ATOM 0 HA THR A 56 -1.101 -2.020 -4.485 1.00 0.00 H new ATOM 0 HB THR A 56 -0.860 -3.911 -3.258 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.819 -4.147 -4.270 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.158 -6.082 -4.210 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.355 -5.269 -5.245 1.00 0.00 H new ATOM 0 HG23 THR A 56 0.366 -5.257 -5.697 1.00 0.00 H new ATOM 903 N LEU A 57 1.274 -1.090 -4.177 1.00 0.00 N ATOM 904 CA LEU A 57 2.517 -0.277 -4.305 1.00 0.00 C ATOM 905 C LEU A 57 3.041 0.109 -2.919 1.00 0.00 C ATOM 906 O LEU A 57 2.384 -0.095 -1.917 1.00 0.00 O ATOM 907 CB LEU A 57 2.097 0.973 -5.086 1.00 0.00 C ATOM 908 CG LEU A 57 0.723 1.452 -4.604 1.00 0.00 C ATOM 909 CD1 LEU A 57 0.826 1.929 -3.155 1.00 0.00 C ATOM 910 CD2 LEU A 57 0.246 2.609 -5.486 1.00 0.00 C ATOM 0 H LEU A 57 0.760 -0.964 -3.305 1.00 0.00 H new ATOM 0 HA LEU A 57 3.316 -0.822 -4.807 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.836 1.763 -4.950 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.061 0.751 -6.153 1.00 0.00 H new ATOM 0 HG LEU A 57 0.012 0.628 -4.666 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.152 2.269 -2.814 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.165 1.107 -2.524 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.539 2.751 -3.092 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.731 2.949 -5.143 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.959 3.431 -5.424 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.170 2.271 -6.520 1.00 0.00 H new ATOM 922 N HIS A 58 4.220 0.665 -2.854 1.00 0.00 N ATOM 923 CA HIS A 58 4.782 1.064 -1.532 1.00 0.00 C ATOM 924 C HIS A 58 4.196 2.405 -1.092 1.00 0.00 C ATOM 925 O HIS A 58 4.187 3.366 -1.835 1.00 0.00 O ATOM 926 CB HIS A 58 6.289 1.181 -1.756 1.00 0.00 C ATOM 927 CG HIS A 58 7.007 0.209 -0.860 1.00 0.00 C ATOM 928 ND1 HIS A 58 7.910 -0.720 -1.352 1.00 0.00 N ATOM 929 CD2 HIS A 58 6.964 0.008 0.498 1.00 0.00 C ATOM 930 CE1 HIS A 58 8.371 -1.431 -0.306 1.00 0.00 C ATOM 931 NE2 HIS A 58 7.826 -1.028 0.845 1.00 0.00 N ATOM 0 H HIS A 58 4.818 0.860 -3.657 1.00 0.00 H new ATOM 0 HA HIS A 58 4.545 0.343 -0.749 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.529 0.976 -2.799 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.621 2.198 -1.547 1.00 0.00 H new ATOM 0 HD1 HIS A 58 8.177 -0.843 -2.329 1.00 0.00 H new ATOM 0 HD2 HIS A 58 6.354 0.569 1.191 1.00 0.00 H new ATOM 0 HE1 HIS A 58 9.093 -2.230 -0.387 1.00 0.00 H new ATOM 939 N VAL A 59 3.705 2.472 0.113 1.00 0.00 N ATOM 940 CA VAL A 59 3.112 3.748 0.614 1.00 0.00 C ATOM 941 C VAL A 59 3.867 4.226 1.855 1.00 0.00 C ATOM 942 O VAL A 59 4.017 3.502 2.818 1.00 0.00 O ATOM 943 CB VAL A 59 1.650 3.434 0.970 1.00 0.00 C ATOM 944 CG1 VAL A 59 0.744 3.852 -0.188 1.00 0.00 C ATOM 945 CG2 VAL A 59 1.464 1.936 1.247 1.00 0.00 C ATOM 0 H VAL A 59 3.688 1.697 0.776 1.00 0.00 H new ATOM 0 HA VAL A 59 3.176 4.537 -0.135 1.00 0.00 H new ATOM 0 HB VAL A 59 1.386 3.989 1.870 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.293 3.630 0.063 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.853 4.922 -0.367 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.025 3.303 -1.087 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.421 1.739 1.497 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.739 1.365 0.360 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.099 1.639 2.081 1.00 0.00 H new ATOM 955 N ARG A 60 4.342 5.442 1.840 1.00 0.00 N ATOM 956 CA ARG A 60 5.087 5.964 3.021 1.00 0.00 C ATOM 957 C ARG A 60 4.317 7.121 3.665 1.00 0.00 C ATOM 958 O ARG A 60 3.889 8.041 2.998 1.00 0.00 O ATOM 959 CB ARG A 60 6.422 6.454 2.461 1.00 0.00 C ATOM 960 CG ARG A 60 6.982 5.415 1.487 1.00 0.00 C ATOM 961 CD ARG A 60 7.057 4.053 2.181 1.00 0.00 C ATOM 962 NE ARG A 60 7.659 3.140 1.172 1.00 0.00 N ATOM 963 CZ ARG A 60 8.891 3.322 0.780 1.00 0.00 C ATOM 964 NH1 ARG A 60 9.871 2.755 1.428 1.00 0.00 N ATOM 965 NH2 ARG A 60 9.141 4.071 -0.259 1.00 0.00 N ATOM 0 H ARG A 60 4.247 6.095 1.063 1.00 0.00 H new ATOM 0 HA ARG A 60 5.222 5.206 3.792 1.00 0.00 H new ATOM 0 HB2 ARG A 60 6.286 7.408 1.952 1.00 0.00 H new ATOM 0 HB3 ARG A 60 7.129 6.624 3.274 1.00 0.00 H new ATOM 0 HG2 ARG A 60 6.347 5.350 0.603 1.00 0.00 H new ATOM 0 HG3 ARG A 60 7.973 5.717 1.147 1.00 0.00 H new ATOM 0 HD2 ARG A 60 7.667 4.102 3.083 1.00 0.00 H new ATOM 0 HD3 ARG A 60 6.068 3.709 2.484 1.00 0.00 H new ATOM 0 HE ARG A 60 7.109 2.372 0.787 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.674 2.170 2.240 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.834 2.897 1.122 1.00 0.00 H new ATOM 0 HH21 ARG A 60 8.374 4.514 -0.765 1.00 0.00 H new ATOM 0 HH22 ARG A 60 10.103 4.213 -0.565 1.00 0.00 H new ATOM 979 N GLY A 61 4.141 7.082 4.958 1.00 0.00 N ATOM 980 CA GLY A 61 3.400 8.179 5.644 1.00 0.00 C ATOM 981 C GLY A 61 4.384 9.036 6.442 1.00 0.00 C ATOM 982 O GLY A 61 5.285 8.531 7.082 1.00 0.00 O ATOM 0 H GLY A 61 4.478 6.338 5.569 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.877 8.793 4.911 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.643 7.762 6.308 1.00 0.00 H new ATOM 986 N LYS A 62 4.221 10.330 6.409 1.00 0.00 N ATOM 987 CA LYS A 62 5.148 11.219 7.167 1.00 0.00 C ATOM 988 C LYS A 62 4.763 11.247 8.649 1.00 0.00 C ATOM 989 O LYS A 62 5.414 11.878 9.458 1.00 0.00 O ATOM 990 CB LYS A 62 4.973 12.602 6.540 1.00 0.00 C ATOM 991 CG LYS A 62 6.061 12.829 5.490 1.00 0.00 C ATOM 992 CD LYS A 62 6.544 14.278 5.560 1.00 0.00 C ATOM 993 CE LYS A 62 5.349 15.223 5.412 1.00 0.00 C ATOM 994 NZ LYS A 62 5.850 16.350 4.578 1.00 0.00 N ATOM 0 H LYS A 62 3.486 10.811 5.890 1.00 0.00 H new ATOM 0 HA LYS A 62 6.182 10.877 7.115 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.988 12.683 6.081 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.030 13.372 7.310 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.895 12.148 5.662 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.672 12.612 4.495 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.049 14.459 6.509 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.272 14.468 4.771 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.507 14.722 4.934 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.001 15.575 6.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.086 17.041 4.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.647 16.812 5.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.168 15.986 3.657 1.00 0.00 H new ATOM 1008 N LYS A 63 3.709 10.568 9.011 1.00 0.00 N ATOM 1009 CA LYS A 63 3.284 10.558 10.441 1.00 0.00 C ATOM 1010 C LYS A 63 3.354 9.136 11.004 1.00 0.00 C ATOM 1011 O LYS A 63 3.674 8.195 10.305 1.00 0.00 O ATOM 1012 CB LYS A 63 1.840 11.061 10.429 1.00 0.00 C ATOM 1013 CG LYS A 63 1.830 12.583 10.271 1.00 0.00 C ATOM 1014 CD LYS A 63 0.401 13.060 10.007 1.00 0.00 C ATOM 1015 CE LYS A 63 -0.016 14.052 11.096 1.00 0.00 C ATOM 1016 NZ LYS A 63 -0.807 15.093 10.384 1.00 0.00 N ATOM 0 H LYS A 63 3.124 10.020 8.380 1.00 0.00 H new ATOM 0 HA LYS A 63 3.926 11.178 11.067 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.289 10.596 9.611 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.337 10.778 11.354 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.222 13.055 11.172 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.481 12.878 9.448 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.339 13.533 9.027 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.281 12.210 9.994 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.610 13.564 11.868 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.854 14.486 11.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.129 15.810 11.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.213 15.545 9.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.632 14.652 9.930 1.00 0.00 H new ATOM 1030 N LYS A 64 3.057 8.973 12.264 1.00 0.00 N ATOM 1031 CA LYS A 64 3.107 7.612 12.873 1.00 0.00 C ATOM 1032 C LYS A 64 4.449 6.942 12.565 1.00 0.00 C ATOM 1033 O LYS A 64 4.561 5.734 12.544 1.00 0.00 O ATOM 1034 CB LYS A 64 1.960 6.842 12.217 1.00 0.00 C ATOM 1035 CG LYS A 64 1.421 5.797 13.196 1.00 0.00 C ATOM 1036 CD LYS A 64 -0.067 6.052 13.447 1.00 0.00 C ATOM 1037 CE LYS A 64 -0.878 4.836 12.993 1.00 0.00 C ATOM 1038 NZ LYS A 64 -1.137 4.059 14.238 1.00 0.00 N ATOM 0 H LYS A 64 2.782 9.723 12.899 1.00 0.00 H new ATOM 0 HA LYS A 64 3.010 7.642 13.958 1.00 0.00 H new ATOM 0 HB2 LYS A 64 1.165 7.529 11.928 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.308 6.356 11.305 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.566 4.795 12.791 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.972 5.844 14.135 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.240 6.243 14.506 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.391 6.941 12.906 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.810 5.139 12.516 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.325 4.242 12.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.689 3.208 14.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.232 3.778 14.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.671 4.647 14.910 1.00 0.00 H new ATOM 1052 N ARG A 65 5.470 7.721 12.325 1.00 0.00 N ATOM 1053 CA ARG A 65 6.804 7.128 12.019 1.00 0.00 C ATOM 1054 C ARG A 65 7.730 7.256 13.231 1.00 0.00 C ATOM 1055 O ARG A 65 8.606 6.441 13.442 1.00 0.00 O ATOM 1056 CB ARG A 65 7.340 7.948 10.844 1.00 0.00 C ATOM 1057 CG ARG A 65 7.624 9.377 11.306 1.00 0.00 C ATOM 1058 CD ARG A 65 8.150 10.200 10.128 1.00 0.00 C ATOM 1059 NE ARG A 65 8.136 11.610 10.607 1.00 0.00 N ATOM 1060 CZ ARG A 65 8.503 12.574 9.807 1.00 0.00 C ATOM 1061 NH1 ARG A 65 9.753 12.681 9.445 1.00 0.00 N ATOM 1062 NH2 ARG A 65 7.621 13.430 9.370 1.00 0.00 N ATOM 0 H ARG A 65 5.438 8.740 12.328 1.00 0.00 H new ATOM 0 HA ARG A 65 6.740 6.066 11.780 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.251 7.493 10.455 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.614 7.955 10.031 1.00 0.00 H new ATOM 0 HG2 ARG A 65 6.715 9.830 11.702 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.355 9.371 12.114 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.156 9.889 9.847 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.520 10.076 9.247 1.00 0.00 H new ATOM 0 HE ARG A 65 7.840 11.822 11.560 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.442 12.011 9.787 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.040 13.434 8.820 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.645 13.346 9.653 1.00 0.00 H new ATOM 0 HH22 ARG A 65 7.908 14.183 8.745 1.00 0.00 H new ATOM 1076 N LEU A 66 7.542 8.274 14.028 1.00 0.00 N ATOM 1077 CA LEU A 66 8.410 8.456 15.226 1.00 0.00 C ATOM 1078 C LEU A 66 8.650 7.113 15.920 1.00 0.00 C ATOM 1079 O LEU A 66 7.816 6.627 16.658 1.00 0.00 O ATOM 1080 CB LEU A 66 7.629 9.400 16.141 1.00 0.00 C ATOM 1081 CG LEU A 66 8.602 10.316 16.883 1.00 0.00 C ATOM 1082 CD1 LEU A 66 9.568 9.471 17.714 1.00 0.00 C ATOM 1083 CD2 LEU A 66 9.395 11.145 15.870 1.00 0.00 C ATOM 0 H LEU A 66 6.824 8.987 13.900 1.00 0.00 H new ATOM 0 HA LEU A 66 9.390 8.856 14.966 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.929 9.995 15.554 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.039 8.825 16.855 1.00 0.00 H new ATOM 0 HG LEU A 66 8.043 10.981 17.541 1.00 0.00 H new ATOM 0 HD11 LEU A 66 10.261 10.125 18.243 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.005 8.879 18.436 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.127 8.805 17.057 1.00 0.00 H new ATOM 0 HD21 LEU A 66 10.089 11.799 16.398 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.953 10.479 15.212 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.708 11.749 15.277 1.00 0.00 H new ATOM 1095 N GLY A 67 9.784 6.508 15.689 1.00 0.00 N ATOM 1096 CA GLY A 67 10.077 5.205 16.328 1.00 0.00 C ATOM 1097 C GLY A 67 11.468 4.728 15.908 1.00 0.00 C ATOM 1098 O GLY A 67 11.979 5.109 14.873 1.00 0.00 O ATOM 0 H GLY A 67 10.520 6.867 15.081 1.00 0.00 H new ATOM 0 HA2 GLY A 67 10.027 5.301 17.413 1.00 0.00 H new ATOM 0 HA3 GLY A 67 9.327 4.470 16.038 1.00 0.00 H new ATOM 1102 N ARG A 68 12.087 3.899 16.703 1.00 0.00 N ATOM 1103 CA ARG A 68 13.447 3.399 16.347 1.00 0.00 C ATOM 1104 C ARG A 68 13.341 2.121 15.511 1.00 0.00 C ATOM 1105 O ARG A 68 12.263 1.636 15.244 1.00 0.00 O ATOM 1106 CB ARG A 68 14.125 3.108 17.687 1.00 0.00 C ATOM 1107 CG ARG A 68 14.907 4.340 18.144 1.00 0.00 C ATOM 1108 CD ARG A 68 15.914 3.936 19.223 1.00 0.00 C ATOM 1109 NE ARG A 68 15.658 4.869 20.355 1.00 0.00 N ATOM 1110 CZ ARG A 68 15.230 4.405 21.497 1.00 0.00 C ATOM 1111 NH1 ARG A 68 14.286 3.503 21.523 1.00 0.00 N ATOM 1112 NH2 ARG A 68 15.743 4.843 22.614 1.00 0.00 N ATOM 0 H ARG A 68 11.711 3.546 17.583 1.00 0.00 H new ATOM 0 HA ARG A 68 14.009 4.120 15.753 1.00 0.00 H new ATOM 0 HB2 ARG A 68 13.377 2.842 18.434 1.00 0.00 H new ATOM 0 HB3 ARG A 68 14.796 2.255 17.589 1.00 0.00 H new ATOM 0 HG2 ARG A 68 15.426 4.789 17.297 1.00 0.00 H new ATOM 0 HG3 ARG A 68 14.223 5.094 18.534 1.00 0.00 H new ATOM 0 HD2 ARG A 68 15.773 2.899 19.526 1.00 0.00 H new ATOM 0 HD3 ARG A 68 16.938 4.026 18.861 1.00 0.00 H new ATOM 0 HE ARG A 68 15.817 5.870 20.238 1.00 0.00 H new ATOM 0 HH11 ARG A 68 13.883 3.161 20.651 1.00 0.00 H new ATOM 0 HH12 ARG A 68 13.952 3.140 22.416 1.00 0.00 H new ATOM 0 HH21 ARG A 68 16.479 5.549 22.595 1.00 0.00 H new ATOM 0 HH22 ARG A 68 15.408 4.480 23.506 1.00 0.00 H new ATOM 1126 N TYR A 69 14.458 1.572 15.113 1.00 0.00 N ATOM 1127 CA TYR A 69 14.449 0.321 14.305 1.00 0.00 C ATOM 1128 C TYR A 69 13.500 0.447 13.098 1.00 0.00 C ATOM 1129 O TYR A 69 12.298 0.551 13.236 1.00 0.00 O ATOM 1130 CB TYR A 69 14.011 -0.760 15.304 1.00 0.00 C ATOM 1131 CG TYR A 69 12.561 -1.147 15.106 1.00 0.00 C ATOM 1132 CD1 TYR A 69 12.189 -1.929 14.005 1.00 0.00 C ATOM 1133 CD2 TYR A 69 11.592 -0.723 16.022 1.00 0.00 C ATOM 1134 CE1 TYR A 69 10.849 -2.287 13.823 1.00 0.00 C ATOM 1135 CE2 TYR A 69 10.250 -1.081 15.839 1.00 0.00 C ATOM 1136 CZ TYR A 69 9.879 -1.863 14.739 1.00 0.00 C ATOM 1137 OH TYR A 69 8.557 -2.216 14.559 1.00 0.00 O ATOM 0 H TYR A 69 15.386 1.943 15.317 1.00 0.00 H new ATOM 0 HA TYR A 69 15.417 0.085 13.862 1.00 0.00 H new ATOM 0 HB2 TYR A 69 14.642 -1.641 15.188 1.00 0.00 H new ATOM 0 HB3 TYR A 69 14.155 -0.396 16.321 1.00 0.00 H new ATOM 0 HD1 TYR A 69 12.936 -2.255 13.297 1.00 0.00 H new ATOM 0 HD2 TYR A 69 11.879 -0.119 16.870 1.00 0.00 H new ATOM 0 HE1 TYR A 69 10.562 -2.891 12.975 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.502 -0.754 16.546 1.00 0.00 H new ATOM 0 HH TYR A 69 8.016 -1.841 15.285 1.00 0.00 H new ATOM 1147 N LEU A 70 14.044 0.437 11.910 1.00 0.00 N ATOM 1148 CA LEU A 70 13.186 0.554 10.695 1.00 0.00 C ATOM 1149 C LEU A 70 12.117 1.618 10.908 1.00 0.00 C ATOM 1150 O LEU A 70 10.976 1.467 10.519 1.00 0.00 O ATOM 1151 CB LEU A 70 12.547 -0.817 10.535 1.00 0.00 C ATOM 1152 CG LEU A 70 12.697 -1.290 9.089 1.00 0.00 C ATOM 1153 CD1 LEU A 70 12.025 -0.288 8.150 1.00 0.00 C ATOM 1154 CD2 LEU A 70 14.183 -1.397 8.740 1.00 0.00 C ATOM 0 H LEU A 70 15.044 0.353 11.729 1.00 0.00 H new ATOM 0 HA LEU A 70 13.755 0.846 9.812 1.00 0.00 H new ATOM 0 HB2 LEU A 70 13.018 -1.530 11.212 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.492 -0.771 10.805 1.00 0.00 H new ATOM 0 HG LEU A 70 12.224 -2.266 8.976 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.133 -0.626 7.119 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.966 -0.211 8.398 1.00 0.00 H new ATOM 0 HD13 LEU A 70 12.496 0.688 8.262 1.00 0.00 H new ATOM 0 HD21 LEU A 70 14.291 -1.734 7.709 1.00 0.00 H new ATOM 0 HD22 LEU A 70 14.655 -0.421 8.854 1.00 0.00 H new ATOM 0 HD23 LEU A 70 14.663 -2.112 9.408 1.00 0.00 H new ATOM 1166 N GLY A 71 12.490 2.692 11.525 1.00 0.00 N ATOM 1167 CA GLY A 71 11.518 3.791 11.783 1.00 0.00 C ATOM 1168 C GLY A 71 11.704 4.893 10.740 1.00 0.00 C ATOM 1169 O GLY A 71 12.523 4.785 9.848 1.00 0.00 O ATOM 0 H GLY A 71 13.435 2.864 11.868 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.499 3.406 11.743 1.00 0.00 H new ATOM 0 HA3 GLY A 71 11.667 4.195 12.784 1.00 0.00 H new ATOM 1173 N LYS A 72 10.952 5.955 10.843 1.00 0.00 N ATOM 1174 CA LYS A 72 11.088 7.064 9.856 1.00 0.00 C ATOM 1175 C LYS A 72 10.872 6.534 8.436 1.00 0.00 C ATOM 1176 O LYS A 72 11.668 5.780 7.915 1.00 0.00 O ATOM 1177 CB LYS A 72 12.519 7.572 10.027 1.00 0.00 C ATOM 1178 CG LYS A 72 12.819 7.760 11.515 1.00 0.00 C ATOM 1179 CD LYS A 72 14.304 8.079 11.701 1.00 0.00 C ATOM 1180 CE LYS A 72 14.496 9.595 11.767 1.00 0.00 C ATOM 1181 NZ LYS A 72 15.927 9.815 11.412 1.00 0.00 N ATOM 0 H LYS A 72 10.250 6.103 11.568 1.00 0.00 H new ATOM 0 HA LYS A 72 10.354 7.854 10.016 1.00 0.00 H new ATOM 0 HB2 LYS A 72 13.222 6.863 9.590 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.647 8.516 9.497 1.00 0.00 H new ATOM 0 HG2 LYS A 72 12.209 8.567 11.920 1.00 0.00 H new ATOM 0 HG3 LYS A 72 12.559 6.856 12.066 1.00 0.00 H new ATOM 0 HD2 LYS A 72 14.675 7.615 12.615 1.00 0.00 H new ATOM 0 HD3 LYS A 72 14.882 7.664 10.875 1.00 0.00 H new ATOM 0 HE2 LYS A 72 13.833 10.108 11.071 1.00 0.00 H new ATOM 0 HE3 LYS A 72 14.272 9.979 12.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 16.138 10.833 11.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 16.534 9.320 12.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 16.109 9.445 10.457 1.00 0.00 H new ATOM 1195 N ARG A 73 9.795 6.921 7.807 1.00 0.00 N ATOM 1196 CA ARG A 73 9.527 6.438 6.422 1.00 0.00 C ATOM 1197 C ARG A 73 9.809 4.936 6.325 1.00 0.00 C ATOM 1198 O ARG A 73 10.830 4.526 5.811 1.00 0.00 O ATOM 1199 CB ARG A 73 10.489 7.223 5.533 1.00 0.00 C ATOM 1200 CG ARG A 73 10.080 7.052 4.070 1.00 0.00 C ATOM 1201 CD ARG A 73 11.332 7.027 3.189 1.00 0.00 C ATOM 1202 NE ARG A 73 11.161 8.165 2.245 1.00 0.00 N ATOM 1203 CZ ARG A 73 11.460 9.377 2.622 1.00 0.00 C ATOM 1204 NH1 ARG A 73 12.695 9.795 2.557 1.00 0.00 N ATOM 1205 NH2 ARG A 73 10.526 10.173 3.066 1.00 0.00 N ATOM 0 H ARG A 73 9.090 7.550 8.192 1.00 0.00 H new ATOM 0 HA ARG A 73 8.489 6.587 6.126 1.00 0.00 H new ATOM 0 HB2 ARG A 73 10.475 8.278 5.805 1.00 0.00 H new ATOM 0 HB3 ARG A 73 11.509 6.869 5.681 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.516 6.128 3.945 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.425 7.869 3.767 1.00 0.00 H new ATOM 0 HD2 ARG A 73 12.237 7.142 3.786 1.00 0.00 H new ATOM 0 HD3 ARG A 73 11.420 6.081 2.655 1.00 0.00 H new ATOM 0 HE ARG A 73 10.810 7.997 1.302 1.00 0.00 H new ATOM 0 HH11 ARG A 73 13.426 9.174 2.211 1.00 0.00 H new ATOM 0 HH12 ARG A 73 12.929 10.743 2.852 1.00 0.00 H new ATOM 0 HH21 ARG A 73 9.561 9.847 3.118 1.00 0.00 H new ATOM 0 HH22 ARG A 73 10.761 11.121 3.361 1.00 0.00 H new ATOM 1219 N PRO A 74 8.885 4.169 6.831 1.00 0.00 N ATOM 1220 CA PRO A 74 9.020 2.694 6.812 1.00 0.00 C ATOM 1221 C PRO A 74 8.701 2.148 5.421 1.00 0.00 C ATOM 1222 O PRO A 74 8.640 2.879 4.453 1.00 0.00 O ATOM 1223 CB PRO A 74 7.981 2.227 7.822 1.00 0.00 C ATOM 1224 CG PRO A 74 6.954 3.316 7.865 1.00 0.00 C ATOM 1225 CD PRO A 74 7.636 4.602 7.464 1.00 0.00 C ATOM 0 HA PRO A 74 10.027 2.354 7.052 1.00 0.00 H new ATOM 0 HB2 PRO A 74 7.536 1.279 7.519 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.429 2.070 8.803 1.00 0.00 H new ATOM 0 HG2 PRO A 74 6.130 3.092 7.188 1.00 0.00 H new ATOM 0 HG3 PRO A 74 6.530 3.403 8.865 1.00 0.00 H new ATOM 0 HD2 PRO A 74 7.021 5.180 6.775 1.00 0.00 H new ATOM 0 HD3 PRO A 74 7.828 5.237 8.329 1.00 0.00 H new ATOM 1233 N ASP A 75 8.484 0.868 5.319 1.00 0.00 N ATOM 1234 CA ASP A 75 8.150 0.271 4.003 1.00 0.00 C ATOM 1235 C ASP A 75 6.729 -0.277 4.045 1.00 0.00 C ATOM 1236 O ASP A 75 6.497 -1.424 4.378 1.00 0.00 O ATOM 1237 CB ASP A 75 9.161 -0.858 3.806 1.00 0.00 C ATOM 1238 CG ASP A 75 10.253 -0.403 2.836 1.00 0.00 C ATOM 1239 OD1 ASP A 75 11.174 0.261 3.281 1.00 0.00 O ATOM 1240 OD2 ASP A 75 10.149 -0.727 1.664 1.00 0.00 O ATOM 0 H ASP A 75 8.524 0.208 6.096 1.00 0.00 H new ATOM 0 HA ASP A 75 8.198 0.993 3.188 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.603 -1.136 4.763 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.661 -1.745 3.417 1.00 0.00 H new ATOM 1245 N ARG A 76 5.779 0.538 3.712 1.00 0.00 N ATOM 1246 CA ARG A 76 4.359 0.086 3.726 1.00 0.00 C ATOM 1247 C ARG A 76 3.887 -0.218 2.302 1.00 0.00 C ATOM 1248 O ARG A 76 4.256 0.454 1.359 1.00 0.00 O ATOM 1249 CB ARG A 76 3.578 1.262 4.313 1.00 0.00 C ATOM 1250 CG ARG A 76 3.062 0.890 5.704 1.00 0.00 C ATOM 1251 CD ARG A 76 4.229 0.416 6.572 1.00 0.00 C ATOM 1252 NE ARG A 76 3.689 0.386 7.959 1.00 0.00 N ATOM 1253 CZ ARG A 76 4.255 -0.362 8.865 1.00 0.00 C ATOM 1254 NH1 ARG A 76 4.481 -1.624 8.622 1.00 0.00 N ATOM 1255 NH2 ARG A 76 4.597 0.153 10.015 1.00 0.00 N ATOM 0 H ARG A 76 5.920 1.507 3.427 1.00 0.00 H new ATOM 0 HA ARG A 76 4.219 -0.826 4.306 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.218 2.142 4.375 1.00 0.00 H new ATOM 0 HB3 ARG A 76 2.743 1.519 3.661 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.578 1.750 6.166 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.310 0.105 5.626 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.577 -0.570 6.262 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.080 1.093 6.494 1.00 0.00 H new ATOM 0 HE ARG A 76 2.875 0.951 8.201 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.215 -2.026 7.723 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.924 -2.209 9.331 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.421 1.140 10.204 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.040 -0.431 10.724 1.00 0.00 H new ATOM 1269 N LYS A 77 3.076 -1.228 2.137 1.00 0.00 N ATOM 1270 CA LYS A 77 2.585 -1.573 0.771 1.00 0.00 C ATOM 1271 C LYS A 77 1.054 -1.505 0.726 1.00 0.00 C ATOM 1272 O LYS A 77 0.373 -2.007 1.596 1.00 0.00 O ATOM 1273 CB LYS A 77 3.076 -3.002 0.526 1.00 0.00 C ATOM 1274 CG LYS A 77 2.429 -3.561 -0.743 1.00 0.00 C ATOM 1275 CD LYS A 77 2.759 -5.050 -0.870 1.00 0.00 C ATOM 1276 CE LYS A 77 1.596 -5.779 -1.545 1.00 0.00 C ATOM 1277 NZ LYS A 77 2.203 -6.466 -2.719 1.00 0.00 N ATOM 0 H LYS A 77 2.733 -1.828 2.887 1.00 0.00 H new ATOM 0 HA LYS A 77 2.950 -0.883 0.010 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.161 -3.011 0.426 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.829 -3.633 1.380 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.349 -3.419 -0.706 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.792 -3.021 -1.617 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.671 -5.182 -1.452 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.946 -5.477 0.116 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.131 -6.494 -0.866 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.818 -5.081 -1.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.477 -7.030 -3.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.588 -5.757 -3.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.969 -7.091 -2.397 1.00 0.00 H new ATOM 1291 N LYS A 78 0.513 -0.880 -0.285 1.00 0.00 N ATOM 1292 CA LYS A 78 -0.972 -0.768 -0.398 1.00 0.00 C ATOM 1293 C LYS A 78 -1.474 -1.631 -1.559 1.00 0.00 C ATOM 1294 O LYS A 78 -0.759 -1.864 -2.511 1.00 0.00 O ATOM 1295 CB LYS A 78 -1.236 0.712 -0.678 1.00 0.00 C ATOM 1296 CG LYS A 78 -2.058 1.311 0.465 1.00 0.00 C ATOM 1297 CD LYS A 78 -1.731 2.798 0.610 1.00 0.00 C ATOM 1298 CE LYS A 78 -2.919 3.523 1.247 1.00 0.00 C ATOM 1299 NZ LYS A 78 -2.537 4.963 1.244 1.00 0.00 N ATOM 0 H LYS A 78 1.037 -0.440 -1.041 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.485 -1.110 0.501 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.292 1.247 -0.780 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.770 0.825 -1.622 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.122 1.180 0.268 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.839 0.788 1.396 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.840 2.927 1.225 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.509 3.229 -0.366 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.834 3.356 0.679 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.103 3.165 2.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.303 5.526 1.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.666 5.092 1.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.375 5.277 0.266 1.00 0.00 H new ATOM 1313 N ALA A 79 -2.687 -2.121 -1.492 1.00 0.00 N ATOM 1314 CA ALA A 79 -3.201 -2.976 -2.609 1.00 0.00 C ATOM 1315 C ALA A 79 -4.483 -2.427 -3.208 1.00 0.00 C ATOM 1316 O ALA A 79 -5.495 -2.323 -2.547 1.00 0.00 O ATOM 1317 CB ALA A 79 -3.493 -4.330 -1.992 1.00 0.00 C ATOM 0 H ALA A 79 -3.338 -1.969 -0.722 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.466 -3.018 -3.412 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.874 -5.005 -2.759 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.577 -4.742 -1.568 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.239 -4.218 -1.205 1.00 0.00 H new ATOM 1323 N ILE A 80 -4.455 -2.117 -4.471 1.00 0.00 N ATOM 1324 CA ILE A 80 -5.675 -1.604 -5.141 1.00 0.00 C ATOM 1325 C ILE A 80 -6.302 -2.724 -5.965 1.00 0.00 C ATOM 1326 O ILE A 80 -5.748 -3.175 -6.947 1.00 0.00 O ATOM 1327 CB ILE A 80 -5.200 -0.467 -6.036 1.00 0.00 C ATOM 1328 CG1 ILE A 80 -4.903 0.764 -5.178 1.00 0.00 C ATOM 1329 CG2 ILE A 80 -6.297 -0.126 -7.044 1.00 0.00 C ATOM 1330 CD1 ILE A 80 -3.893 0.415 -4.086 1.00 0.00 C ATOM 0 H ILE A 80 -3.634 -2.198 -5.071 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.430 -1.256 -4.436 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.297 -0.771 -6.565 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.511 1.566 -5.803 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.824 1.133 -4.727 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.961 0.688 -7.687 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.516 -1.003 -7.653 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.198 0.181 -6.512 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.690 1.299 -3.482 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.301 -0.372 -3.451 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.967 0.068 -4.544 1.00 0.00 H new ATOM 1342 N VAL A 81 -7.446 -3.183 -5.562 1.00 0.00 N ATOM 1343 CA VAL A 81 -8.109 -4.290 -6.305 1.00 0.00 C ATOM 1344 C VAL A 81 -9.367 -3.783 -7.006 1.00 0.00 C ATOM 1345 O VAL A 81 -10.155 -3.055 -6.437 1.00 0.00 O ATOM 1346 CB VAL A 81 -8.463 -5.313 -5.228 1.00 0.00 C ATOM 1347 CG1 VAL A 81 -8.998 -6.588 -5.886 1.00 0.00 C ATOM 1348 CG2 VAL A 81 -7.207 -5.642 -4.417 1.00 0.00 C ATOM 0 H VAL A 81 -7.956 -2.841 -4.748 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.472 -4.713 -7.082 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.228 -4.902 -4.569 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.250 -7.317 -5.116 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -9.889 -6.351 -6.467 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.236 -7.005 -6.544 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.453 -6.372 -3.646 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.445 -6.055 -5.078 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.828 -4.734 -3.949 1.00 0.00 H new ATOM 1358 N GLN A 82 -9.570 -4.170 -8.235 1.00 0.00 N ATOM 1359 CA GLN A 82 -10.780 -3.716 -8.959 1.00 0.00 C ATOM 1360 C GLN A 82 -11.694 -4.901 -9.175 1.00 0.00 C ATOM 1361 O GLN A 82 -11.242 -6.023 -9.291 1.00 0.00 O ATOM 1362 CB GLN A 82 -10.262 -3.206 -10.299 1.00 0.00 C ATOM 1363 CG GLN A 82 -11.434 -2.879 -11.223 1.00 0.00 C ATOM 1364 CD GLN A 82 -11.584 -1.363 -11.335 1.00 0.00 C ATOM 1365 OE1 GLN A 82 -10.861 -0.720 -12.069 1.00 0.00 O ATOM 1366 NE2 GLN A 82 -12.502 -0.759 -10.633 1.00 0.00 N ATOM 0 H GLN A 82 -8.948 -4.781 -8.765 1.00 0.00 H new ATOM 0 HA GLN A 82 -11.339 -2.951 -8.419 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -9.649 -2.317 -10.147 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.623 -3.958 -10.761 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -11.266 -3.313 -12.209 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -12.352 -3.319 -10.833 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -13.110 -1.298 -10.016 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -12.612 0.253 -10.701 1.00 0.00 H new ATOM 1375 N VAL A 83 -12.968 -4.685 -9.253 1.00 0.00 N ATOM 1376 CA VAL A 83 -13.854 -5.839 -9.495 1.00 0.00 C ATOM 1377 C VAL A 83 -14.487 -5.714 -10.872 1.00 0.00 C ATOM 1378 O VAL A 83 -14.605 -4.637 -11.424 1.00 0.00 O ATOM 1379 CB VAL A 83 -14.912 -5.837 -8.394 1.00 0.00 C ATOM 1380 CG1 VAL A 83 -14.267 -5.462 -7.058 1.00 0.00 C ATOM 1381 CG2 VAL A 83 -16.015 -4.831 -8.729 1.00 0.00 C ATOM 0 H VAL A 83 -13.426 -3.778 -9.162 1.00 0.00 H new ATOM 0 HA VAL A 83 -13.302 -6.779 -9.473 1.00 0.00 H new ATOM 0 HB VAL A 83 -15.347 -6.834 -8.320 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -15.025 -5.462 -6.275 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.492 -6.188 -6.812 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -13.824 -4.469 -7.134 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -16.765 -4.837 -7.938 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -15.584 -3.833 -8.813 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -16.483 -5.105 -9.675 1.00 0.00 H new ATOM 1391 N ALA A 84 -14.881 -6.808 -11.434 1.00 0.00 N ATOM 1392 CA ALA A 84 -15.494 -6.768 -12.785 1.00 0.00 C ATOM 1393 C ALA A 84 -16.586 -5.702 -12.845 1.00 0.00 C ATOM 1394 O ALA A 84 -16.862 -5.031 -11.870 1.00 0.00 O ATOM 1395 CB ALA A 84 -16.076 -8.157 -12.981 1.00 0.00 C ATOM 0 H ALA A 84 -14.807 -7.736 -11.018 1.00 0.00 H new ATOM 0 HA ALA A 84 -14.775 -6.512 -13.563 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -16.552 -8.217 -13.960 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -15.279 -8.898 -12.919 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -16.816 -8.354 -12.205 1.00 0.00 H new ATOM 1401 N PRO A 85 -17.167 -5.583 -14.004 1.00 0.00 N ATOM 1402 CA PRO A 85 -18.241 -4.588 -14.225 1.00 0.00 C ATOM 1403 C PRO A 85 -19.522 -5.015 -13.508 1.00 0.00 C ATOM 1404 O PRO A 85 -19.875 -6.177 -13.483 1.00 0.00 O ATOM 1405 CB PRO A 85 -18.426 -4.593 -15.739 1.00 0.00 C ATOM 1406 CG PRO A 85 -17.938 -5.924 -16.186 1.00 0.00 C ATOM 1407 CD PRO A 85 -16.879 -6.364 -15.206 1.00 0.00 C ATOM 0 HA PRO A 85 -17.999 -3.599 -13.837 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -19.472 -4.446 -16.009 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -17.860 -3.788 -16.208 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -18.756 -6.643 -16.216 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -17.528 -5.865 -17.194 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -16.936 -7.435 -15.010 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -15.877 -6.162 -15.583 1.00 0.00 H new ATOM 1415 N GLY A 86 -20.214 -4.082 -12.918 1.00 0.00 N ATOM 1416 CA GLY A 86 -21.469 -4.426 -12.194 1.00 0.00 C ATOM 1417 C GLY A 86 -21.139 -4.769 -10.740 1.00 0.00 C ATOM 1418 O GLY A 86 -21.971 -4.658 -9.861 1.00 0.00 O ATOM 0 H GLY A 86 -19.964 -3.093 -12.906 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -22.165 -3.588 -12.233 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -21.960 -5.271 -12.676 1.00 0.00 H new ATOM 1422 N GLN A 87 -19.931 -5.192 -10.480 1.00 0.00 N ATOM 1423 CA GLN A 87 -19.547 -5.549 -9.085 1.00 0.00 C ATOM 1424 C GLN A 87 -18.854 -4.371 -8.399 1.00 0.00 C ATOM 1425 O GLN A 87 -18.419 -3.433 -9.037 1.00 0.00 O ATOM 1426 CB GLN A 87 -18.580 -6.721 -9.232 1.00 0.00 C ATOM 1427 CG GLN A 87 -19.374 -7.989 -9.529 1.00 0.00 C ATOM 1428 CD GLN A 87 -18.415 -9.121 -9.901 1.00 0.00 C ATOM 1429 OE1 GLN A 87 -17.382 -8.886 -10.496 1.00 0.00 O ATOM 1430 NE2 GLN A 87 -18.715 -10.348 -9.574 1.00 0.00 N ATOM 0 H GLN A 87 -19.193 -5.306 -11.175 1.00 0.00 H new ATOM 0 HA GLN A 87 -20.414 -5.802 -8.475 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -17.871 -6.525 -10.036 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -17.999 -6.846 -8.318 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -19.966 -8.272 -8.658 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -20.074 -7.809 -10.345 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -19.582 -10.545 -9.074 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -18.082 -11.110 -9.818 1.00 0.00 H new ATOM 1439 N LYS A 88 -18.743 -4.418 -7.099 1.00 0.00 N ATOM 1440 CA LYS A 88 -18.073 -3.306 -6.366 1.00 0.00 C ATOM 1441 C LYS A 88 -18.080 -3.584 -4.860 1.00 0.00 C ATOM 1442 O LYS A 88 -19.106 -3.510 -4.212 1.00 0.00 O ATOM 1443 CB LYS A 88 -18.908 -2.065 -6.685 1.00 0.00 C ATOM 1444 CG LYS A 88 -20.385 -2.362 -6.421 1.00 0.00 C ATOM 1445 CD LYS A 88 -21.156 -2.334 -7.743 1.00 0.00 C ATOM 1446 CE LYS A 88 -22.123 -1.149 -7.745 1.00 0.00 C ATOM 1447 NZ LYS A 88 -22.011 -0.564 -9.109 1.00 0.00 N ATOM 0 H LYS A 88 -19.087 -5.178 -6.513 1.00 0.00 H new ATOM 0 HA LYS A 88 -17.031 -3.185 -6.661 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -18.580 -1.225 -6.072 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -18.765 -1.775 -7.726 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -20.491 -3.337 -5.946 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -20.797 -1.625 -5.732 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -20.462 -2.252 -8.579 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -21.706 -3.266 -7.875 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -23.143 -1.471 -7.536 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -21.856 -0.420 -6.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -22.646 0.256 -9.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -21.031 -0.260 -9.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -22.278 -1.278 -9.816 1.00 0.00 H new ATOM 1461 N ILE A 89 -16.945 -3.896 -4.294 1.00 0.00 N ATOM 1462 CA ILE A 89 -16.900 -4.168 -2.828 1.00 0.00 C ATOM 1463 C ILE A 89 -17.574 -3.019 -2.073 1.00 0.00 C ATOM 1464 O ILE A 89 -16.954 -2.030 -1.735 1.00 0.00 O ATOM 1465 CB ILE A 89 -15.413 -4.254 -2.481 1.00 0.00 C ATOM 1466 CG1 ILE A 89 -14.779 -5.419 -3.245 1.00 0.00 C ATOM 1467 CG2 ILE A 89 -15.249 -4.490 -0.978 1.00 0.00 C ATOM 1468 CD1 ILE A 89 -13.266 -5.417 -3.016 1.00 0.00 C ATOM 0 H ILE A 89 -16.052 -3.974 -4.780 1.00 0.00 H new ATOM 0 HA ILE A 89 -17.424 -5.083 -2.554 1.00 0.00 H new ATOM 0 HB ILE A 89 -14.923 -3.321 -2.759 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -15.207 -6.364 -2.909 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -14.996 -5.331 -4.309 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -14.189 -4.551 -0.733 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -15.702 -3.665 -0.429 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -15.740 -5.423 -0.700 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -12.815 -6.247 -3.560 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -12.845 -4.477 -3.373 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -13.059 -5.526 -1.951 1.00 0.00 H new ATOM 1480 N GLU A 90 -18.848 -3.140 -1.823 1.00 0.00 N ATOM 1481 CA GLU A 90 -19.588 -2.060 -1.108 1.00 0.00 C ATOM 1482 C GLU A 90 -19.046 -1.863 0.312 1.00 0.00 C ATOM 1483 O GLU A 90 -19.357 -0.892 0.971 1.00 0.00 O ATOM 1484 CB GLU A 90 -21.039 -2.537 -1.066 1.00 0.00 C ATOM 1485 CG GLU A 90 -21.607 -2.567 -2.487 1.00 0.00 C ATOM 1486 CD GLU A 90 -22.367 -1.268 -2.762 1.00 0.00 C ATOM 1487 OE1 GLU A 90 -23.532 -1.199 -2.406 1.00 0.00 O ATOM 1488 OE2 GLU A 90 -21.770 -0.363 -3.322 1.00 0.00 O ATOM 0 H GLU A 90 -19.414 -3.947 -2.085 1.00 0.00 H new ATOM 0 HA GLU A 90 -19.482 -1.099 -1.611 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -21.094 -3.530 -0.620 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -21.634 -1.873 -0.439 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -20.800 -2.688 -3.210 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -22.273 -3.422 -2.606 1.00 0.00 H new ATOM 1495 N ALA A 91 -18.256 -2.777 0.795 1.00 0.00 N ATOM 1496 CA ALA A 91 -17.720 -2.634 2.179 1.00 0.00 C ATOM 1497 C ALA A 91 -17.008 -1.286 2.351 1.00 0.00 C ATOM 1498 O ALA A 91 -17.033 -0.697 3.413 1.00 0.00 O ATOM 1499 CB ALA A 91 -16.729 -3.786 2.341 1.00 0.00 C ATOM 0 H ALA A 91 -17.958 -3.615 0.296 1.00 0.00 H new ATOM 0 HA ALA A 91 -18.513 -2.664 2.926 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -16.289 -3.750 3.338 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -17.249 -4.735 2.207 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -15.941 -3.696 1.593 1.00 0.00 H new ATOM 1505 N LEU A 92 -16.371 -0.792 1.324 1.00 0.00 N ATOM 1506 CA LEU A 92 -15.658 0.519 1.453 1.00 0.00 C ATOM 1507 C LEU A 92 -16.420 1.618 0.713 1.00 0.00 C ATOM 1508 O LEU A 92 -16.276 2.788 1.006 1.00 0.00 O ATOM 1509 CB LEU A 92 -14.280 0.328 0.803 1.00 0.00 C ATOM 1510 CG LEU A 92 -13.886 -1.148 0.804 1.00 0.00 C ATOM 1511 CD1 LEU A 92 -12.440 -1.294 0.330 1.00 0.00 C ATOM 1512 CD2 LEU A 92 -14.017 -1.702 2.222 1.00 0.00 C ATOM 0 H LEU A 92 -16.311 -1.233 0.406 1.00 0.00 H new ATOM 0 HA LEU A 92 -15.577 0.814 2.499 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -14.299 0.704 -0.220 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -13.533 0.910 1.343 1.00 0.00 H new ATOM 0 HG LEU A 92 -14.542 -1.701 0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -12.161 -2.348 0.332 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -12.346 -0.895 -0.680 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -11.780 -0.743 1.000 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -13.737 -2.755 2.228 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -13.359 -1.148 2.891 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -15.048 -1.599 2.559 1.00 0.00 H new ATOM 1524 N GLU A 93 -17.216 1.258 -0.254 1.00 0.00 N ATOM 1525 CA GLU A 93 -17.963 2.296 -1.014 1.00 0.00 C ATOM 1526 C GLU A 93 -18.655 3.262 -0.047 1.00 0.00 C ATOM 1527 O GLU A 93 -18.832 4.428 -0.340 1.00 0.00 O ATOM 1528 CB GLU A 93 -18.987 1.527 -1.853 1.00 0.00 C ATOM 1529 CG GLU A 93 -20.184 1.135 -0.984 1.00 0.00 C ATOM 1530 CD GLU A 93 -21.177 2.297 -0.928 1.00 0.00 C ATOM 1531 OE1 GLU A 93 -21.523 2.805 -1.982 1.00 0.00 O ATOM 1532 OE2 GLU A 93 -21.575 2.659 0.166 1.00 0.00 O ATOM 0 H GLU A 93 -17.381 0.296 -0.549 1.00 0.00 H new ATOM 0 HA GLU A 93 -17.308 2.899 -1.643 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -19.320 2.142 -2.689 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -18.526 0.635 -2.277 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -20.669 0.248 -1.393 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -19.849 0.880 0.021 1.00 0.00 H new ATOM 1539 N GLY A 94 -19.044 2.786 1.103 1.00 0.00 N ATOM 1540 CA GLY A 94 -19.720 3.674 2.088 1.00 0.00 C ATOM 1541 C GLY A 94 -18.733 4.048 3.195 1.00 0.00 C ATOM 1542 O GLY A 94 -18.912 5.022 3.899 1.00 0.00 O ATOM 0 H GLY A 94 -18.922 1.819 1.403 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -20.086 4.573 1.593 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -20.587 3.170 2.514 1.00 0.00 H new ATOM 1546 N LEU A 95 -17.687 3.283 3.349 1.00 0.00 N ATOM 1547 CA LEU A 95 -16.683 3.594 4.408 1.00 0.00 C ATOM 1548 C LEU A 95 -16.207 5.043 4.271 1.00 0.00 C ATOM 1549 O LEU A 95 -15.671 5.620 5.196 1.00 0.00 O ATOM 1550 CB LEU A 95 -15.530 2.621 4.155 1.00 0.00 C ATOM 1551 CG LEU A 95 -14.304 3.056 4.960 1.00 0.00 C ATOM 1552 CD1 LEU A 95 -14.598 2.916 6.455 1.00 0.00 C ATOM 1553 CD2 LEU A 95 -13.112 2.168 4.591 1.00 0.00 C ATOM 0 H LEU A 95 -17.483 2.456 2.788 1.00 0.00 H new ATOM 0 HA LEU A 95 -17.091 3.488 5.413 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -15.824 1.611 4.440 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -15.289 2.595 3.092 1.00 0.00 H new ATOM 0 HG LEU A 95 -14.070 4.096 4.732 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -13.724 3.226 7.028 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -15.448 3.546 6.719 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -14.832 1.876 6.684 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -12.237 2.477 5.164 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -13.348 1.129 4.820 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -12.901 2.266 3.526 1.00 0.00 H new ATOM 1565 N ILE A 96 -16.400 5.635 3.124 1.00 0.00 N ATOM 1566 CA ILE A 96 -15.960 7.047 2.928 1.00 0.00 C ATOM 1567 C ILE A 96 -16.375 7.900 4.130 1.00 0.00 C ATOM 1568 O ILE A 96 -15.676 8.857 4.421 1.00 0.00 O ATOM 1569 CB ILE A 96 -16.680 7.512 1.662 1.00 0.00 C ATOM 1570 CG1 ILE A 96 -15.986 6.917 0.435 1.00 0.00 C ATOM 1571 CG2 ILE A 96 -16.639 9.039 1.579 1.00 0.00 C ATOM 1572 CD1 ILE A 96 -16.747 7.318 -0.829 1.00 0.00 C ATOM 1573 OXT ILE A 96 -17.385 7.582 4.737 1.00 0.00 O ATOM 0 H ILE A 96 -16.843 5.202 2.314 1.00 0.00 H new ATOM 0 HA ILE A 96 -14.878 7.136 2.836 1.00 0.00 H new ATOM 0 HB ILE A 96 -17.717 7.179 1.693 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -14.957 7.271 0.380 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -15.946 5.831 0.518 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -17.153 9.368 0.676 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -17.133 9.464 2.453 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -15.602 9.374 1.549 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -16.251 6.893 -1.702 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -17.769 6.942 -0.773 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -16.764 8.405 -0.914 1.00 0.00 H new TER 1585 ILE A 96