USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 693 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 97 ASN : amide:sc= -0.0577 X(o=-0.26,f=0) USER MOD Set 1.2: A 101 GLN : amide:sc= -0.204 X(o=-0.26,f=0) USER MOD Set 2.1: A 84 ASN : amide:sc= -0.282 K(o=-0.44,f=-1.9!) USER MOD Set 2.2: A 86 TYR OH : rot 180:sc= -0.158 USER MOD Set 3.1: A 8 LYS NZ :NH3+ 161:sc= 1.91 (180deg=0.257) USER MOD Set 3.2: A 69 TYR OH : rot 30:sc= 0.624 USER MOD Set 4.1: A 24 HIS : no HE2:sc= 0.736 K(o=1.6,f=-4.1!) USER MOD Set 4.2: A 50 TYR OH : rot 148:sc= 0.869 USER MOD Set 5.1: A 6 ASN : amide:sc= -0.241 K(o=-0.2,f=-1.6!) USER MOD Set 5.2: A 89 GLN :FLIP amide:sc= 0.0384 F(o=-1.4,f=-0.2) USER MOD Single : A 9 HIS : no HE2:sc= 0.139 K(o=0.14,f=-5!) USER MOD Single : A 22 SER OG : rot 38:sc= 0.159 USER MOD Single : A 25 ASN : amide:sc= -0.238 K(o=-0.24,f=-2.5!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot -60:sc= -0.101 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.0061) USER MOD Single : A 32 ASN : amide:sc=-0.00546 X(o=-0.0055,f=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 MET CE :methyl 177:sc= 0 (180deg=-0.023) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -125:sc= -0.151 (180deg=-0.697) USER MOD Single : A 42 LYS NZ :NH3+ 167:sc= -0.0171 (180deg=-0.228) USER MOD Single : A 43 SER OG : rot 90:sc= 1.17 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0.00623 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 160:sc= -0.532 USER MOD Single : A 74 HIS : no HD1:sc= -0.238 X(o=-0.24,f=-0.28) USER MOD Single : A 77 LYS NZ :NH3+ -120:sc= 0.978 (180deg=-0.0621) USER MOD Single : A 81 SER OG : rot -152:sc= 1.33 USER MOD Single : A 91 LYS NZ :NH3+ -152:sc= 1.41 (180deg=-0.564!) USER MOD Single : A 96 MET CE :methyl -111:sc= -1.13 (180deg=-4.63!) USER MOD Single : A 98 THR OG1 : rot 74:sc= 0.728 USER MOD Single : A 104 SER OG : rot 84:sc= 1.26 USER MOD Single : A 105 SER OG : rot 79:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 -8.051 -10.841 -15.713 1.00 0.51 N ATOM 21 CA GLU A 2 -8.109 -9.857 -14.627 1.00 0.37 C ATOM 22 C GLU A 2 -7.748 -8.456 -15.146 1.00 0.34 C ATOM 23 O GLU A 2 -6.907 -8.317 -16.035 1.00 0.48 O ATOM 24 CB GLU A 2 -7.127 -10.280 -13.515 1.00 0.53 C ATOM 25 CG GLU A 2 -7.651 -11.460 -12.671 1.00 0.96 C ATOM 26 CD GLU A 2 -8.275 -12.554 -13.537 1.00 1.61 C ATOM 27 OE1 GLU A 2 -7.555 -13.150 -14.369 1.00 2.09 O ATOM 28 OE2 GLU A 2 -9.493 -12.799 -13.414 1.00 2.16 O ATOM 0 HA GLU A 2 -9.123 -9.820 -14.229 1.00 0.37 H new ATOM 0 HB2 GLU A 2 -6.173 -10.556 -13.965 1.00 0.53 H new ATOM 0 HB3 GLU A 2 -6.937 -9.428 -12.862 1.00 0.53 H new ATOM 0 HG2 GLU A 2 -6.831 -11.882 -12.090 1.00 0.96 H new ATOM 0 HG3 GLU A 2 -8.391 -11.095 -11.959 1.00 0.96 H new ATOM 35 N GLY A 3 -8.379 -7.422 -14.593 1.00 0.25 N ATOM 36 CA GLY A 3 -8.107 -6.043 -15.011 1.00 0.28 C ATOM 37 C GLY A 3 -9.033 -5.048 -14.313 1.00 0.22 C ATOM 38 O GLY A 3 -9.861 -5.424 -13.475 1.00 0.22 O ATOM 0 H GLY A 3 -9.080 -7.509 -13.857 1.00 0.25 H new ATOM 0 HA2 GLY A 3 -7.070 -5.793 -14.788 1.00 0.28 H new ATOM 0 HA3 GLY A 3 -8.230 -5.959 -16.091 1.00 0.28 H new ATOM 42 N PHE A 4 -8.887 -3.776 -14.679 1.00 0.24 N ATOM 43 CA PHE A 4 -9.697 -2.688 -14.116 1.00 0.21 C ATOM 44 C PHE A 4 -11.009 -2.554 -14.892 1.00 0.22 C ATOM 45 O PHE A 4 -11.063 -2.806 -16.098 1.00 0.27 O ATOM 46 CB PHE A 4 -8.933 -1.358 -14.180 1.00 0.23 C ATOM 47 CG PHE A 4 -7.977 -1.150 -13.023 1.00 0.26 C ATOM 48 CD1 PHE A 4 -8.453 -0.728 -11.788 1.00 0.30 C ATOM 49 CD2 PHE A 4 -6.622 -1.392 -13.192 1.00 0.34 C ATOM 50 CE1 PHE A 4 -7.574 -0.551 -10.731 1.00 0.37 C ATOM 51 CE2 PHE A 4 -5.746 -1.213 -12.135 1.00 0.41 C ATOM 52 CZ PHE A 4 -6.232 -0.743 -10.905 1.00 0.41 C ATOM 0 H PHE A 4 -8.206 -3.467 -15.373 1.00 0.24 H new ATOM 0 HA PHE A 4 -9.911 -2.926 -13.074 1.00 0.21 H new ATOM 0 HB2 PHE A 4 -8.374 -1.315 -15.115 1.00 0.23 H new ATOM 0 HB3 PHE A 4 -9.650 -0.537 -14.200 1.00 0.23 H new ATOM 0 HD1 PHE A 4 -9.507 -0.538 -11.652 1.00 0.30 H new ATOM 0 HD2 PHE A 4 -6.249 -1.721 -14.151 1.00 0.34 H new ATOM 0 HE1 PHE A 4 -7.952 -0.259 -9.762 1.00 0.37 H new ATOM 0 HE2 PHE A 4 -4.696 -1.434 -12.256 1.00 0.41 H new ATOM 0 HZ PHE A 4 -5.547 -0.533 -10.097 1.00 0.41 H new ATOM 62 N LEU A 5 -12.056 -2.147 -14.190 1.00 0.19 N ATOM 63 CA LEU A 5 -13.382 -1.968 -14.783 1.00 0.21 C ATOM 64 C LEU A 5 -14.132 -0.857 -14.049 1.00 0.20 C ATOM 65 O LEU A 5 -14.018 -0.719 -12.826 1.00 0.21 O ATOM 66 CB LEU A 5 -14.184 -3.279 -14.679 1.00 0.23 C ATOM 67 CG LEU A 5 -14.054 -4.160 -15.927 1.00 0.24 C ATOM 68 CD1 LEU A 5 -14.793 -5.476 -15.713 1.00 0.27 C ATOM 69 CD2 LEU A 5 -14.593 -3.445 -17.164 1.00 0.31 C ATOM 0 H LEU A 5 -12.015 -1.931 -13.194 1.00 0.19 H new ATOM 0 HA LEU A 5 -13.266 -1.697 -15.832 1.00 0.21 H new ATOM 0 HB2 LEU A 5 -13.843 -3.839 -13.808 1.00 0.23 H new ATOM 0 HB3 LEU A 5 -15.236 -3.043 -14.515 1.00 0.23 H new ATOM 0 HG LEU A 5 -12.996 -4.366 -16.092 1.00 0.24 H new ATOM 0 HD11 LEU A 5 -14.696 -6.097 -16.604 1.00 0.27 H new ATOM 0 HD12 LEU A 5 -14.365 -5.999 -14.858 1.00 0.27 H new ATOM 0 HD13 LEU A 5 -15.847 -5.275 -15.524 1.00 0.27 H new ATOM 0 HD21 LEU A 5 -14.488 -4.093 -18.034 1.00 0.31 H new ATOM 0 HD22 LEU A 5 -15.646 -3.205 -17.016 1.00 0.31 H new ATOM 0 HD23 LEU A 5 -14.031 -2.526 -17.327 1.00 0.31 H new ATOM 81 N ASN A 6 -14.934 -0.097 -14.790 1.00 0.22 N ATOM 82 CA ASN A 6 -15.756 0.970 -14.201 1.00 0.23 C ATOM 83 C ASN A 6 -17.099 0.347 -13.844 1.00 0.22 C ATOM 84 O ASN A 6 -17.734 -0.248 -14.706 1.00 0.26 O ATOM 85 CB ASN A 6 -15.924 2.143 -15.186 1.00 0.28 C ATOM 86 CG ASN A 6 -15.888 3.493 -14.460 1.00 0.72 C ATOM 87 OD1 ASN A 6 -16.035 3.564 -13.240 1.00 1.49 O ATOM 88 ND2 ASN A 6 -15.700 4.564 -15.215 1.00 1.24 N ATOM 0 H ASN A 6 -15.036 -0.196 -15.800 1.00 0.22 H new ATOM 0 HA ASN A 6 -15.279 1.383 -13.312 1.00 0.23 H new ATOM 0 HB2 ASN A 6 -15.131 2.109 -15.933 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -16.869 2.040 -15.719 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -15.673 5.490 -14.789 1.00 1.24 H new ATOM 0 HD22 ASN A 6 -15.582 4.463 -16.223 1.00 1.24 H new ATOM 95 N ARG A 7 -17.505 0.425 -12.577 1.00 0.23 N ATOM 96 CA ARG A 7 -18.758 -0.199 -12.124 1.00 0.24 C ATOM 97 C ARG A 7 -19.819 0.841 -11.751 1.00 0.25 C ATOM 98 O ARG A 7 -19.567 1.741 -10.947 1.00 0.32 O ATOM 99 CB ARG A 7 -18.468 -1.106 -10.914 1.00 0.28 C ATOM 100 CG ARG A 7 -19.542 -2.185 -10.744 1.00 0.34 C ATOM 101 CD ARG A 7 -19.080 -3.292 -9.786 1.00 0.54 C ATOM 102 NE ARG A 7 -19.435 -2.970 -8.398 1.00 0.95 N ATOM 103 CZ ARG A 7 -19.100 -3.765 -7.383 1.00 1.16 C ATOM 104 NH1 ARG A 7 -19.922 -4.736 -7.014 1.00 1.46 N ATOM 105 NH2 ARG A 7 -17.944 -3.584 -6.754 1.00 1.71 N ATOM 0 H ARG A 7 -16.989 0.912 -11.844 1.00 0.23 H new ATOM 0 HA ARG A 7 -19.156 -0.788 -12.950 1.00 0.24 H new ATOM 0 HB2 ARG A 7 -17.494 -1.579 -11.039 1.00 0.28 H new ATOM 0 HB3 ARG A 7 -18.415 -0.500 -10.010 1.00 0.28 H new ATOM 0 HG2 ARG A 7 -20.458 -1.732 -10.364 1.00 0.34 H new ATOM 0 HG3 ARG A 7 -19.780 -2.619 -11.715 1.00 0.34 H new ATOM 0 HD2 ARG A 7 -19.538 -4.239 -10.072 1.00 0.54 H new ATOM 0 HD3 ARG A 7 -18.001 -3.422 -9.868 1.00 0.54 H new ATOM 0 HE ARG A 7 -19.953 -2.113 -8.205 1.00 0.95 H new ATOM 0 HH11 ARG A 7 -20.805 -4.871 -7.506 1.00 1.46 H new ATOM 0 HH12 ARG A 7 -19.672 -5.348 -6.238 1.00 1.46 H new ATOM 0 HH21 ARG A 7 -17.315 -2.837 -7.048 1.00 1.71 H new ATOM 0 HH22 ARG A 7 -17.686 -4.192 -5.977 1.00 1.71 H new ATOM 119 N LYS A 8 -21.013 0.676 -12.321 1.00 0.27 N ATOM 120 CA LYS A 8 -22.162 1.551 -12.057 1.00 0.29 C ATOM 121 C LYS A 8 -23.348 0.686 -11.646 1.00 0.29 C ATOM 122 O LYS A 8 -23.758 -0.204 -12.396 1.00 0.38 O ATOM 123 CB LYS A 8 -22.527 2.359 -13.306 1.00 0.36 C ATOM 124 CG LYS A 8 -23.359 3.607 -12.964 1.00 0.37 C ATOM 125 CD LYS A 8 -24.388 3.922 -14.057 1.00 0.50 C ATOM 126 CE LYS A 8 -25.818 3.923 -13.499 1.00 0.62 C ATOM 127 NZ LYS A 8 -26.810 4.387 -14.513 1.00 1.02 N ATOM 0 H LYS A 8 -21.214 -0.073 -12.984 1.00 0.27 H new ATOM 0 HA LYS A 8 -21.905 2.249 -11.260 1.00 0.29 H new ATOM 0 HB2 LYS A 8 -21.615 2.661 -13.821 1.00 0.36 H new ATOM 0 HB3 LYS A 8 -23.088 1.727 -13.995 1.00 0.36 H new ATOM 0 HG2 LYS A 8 -23.872 3.453 -12.015 1.00 0.37 H new ATOM 0 HG3 LYS A 8 -22.695 4.462 -12.832 1.00 0.37 H new ATOM 0 HD2 LYS A 8 -24.167 4.895 -14.497 1.00 0.50 H new ATOM 0 HD3 LYS A 8 -24.309 3.185 -14.856 1.00 0.50 H new ATOM 0 HE2 LYS A 8 -26.080 2.918 -13.169 1.00 0.62 H new ATOM 0 HE3 LYS A 8 -25.865 4.569 -12.622 1.00 0.62 H new ATOM 0 HZ1 LYS A 8 -27.763 4.079 -14.233 1.00 1.02 H new ATOM 0 HZ2 LYS A 8 -26.785 5.425 -14.573 1.00 1.02 H new ATOM 0 HZ3 LYS A 8 -26.574 3.981 -15.441 1.00 1.02 H new ATOM 141 N HIS A 9 -23.895 0.934 -10.460 1.00 0.43 N ATOM 142 CA HIS A 9 -25.033 0.153 -9.965 1.00 0.52 C ATOM 143 C HIS A 9 -26.336 0.741 -10.496 1.00 0.58 C ATOM 144 O HIS A 9 -26.795 1.792 -10.047 1.00 0.73 O ATOM 145 CB HIS A 9 -25.029 0.094 -8.426 1.00 0.68 C ATOM 146 CG HIS A 9 -23.868 -0.696 -7.881 1.00 0.88 C ATOM 147 ND1 HIS A 9 -23.935 -1.494 -6.765 1.00 1.21 N ATOM 148 CD2 HIS A 9 -22.591 -0.825 -8.316 1.00 1.22 C ATOM 149 CE1 HIS A 9 -22.783 -2.076 -6.530 1.00 1.69 C ATOM 150 NE2 HIS A 9 -21.932 -1.690 -7.463 1.00 1.75 N ATOM 0 H HIS A 9 -23.574 1.664 -9.824 1.00 0.43 H new ATOM 0 HA HIS A 9 -24.945 -0.870 -10.330 1.00 0.52 H new ATOM 0 HB2 HIS A 9 -24.993 1.108 -8.027 1.00 0.68 H new ATOM 0 HB3 HIS A 9 -25.962 -0.352 -8.080 1.00 0.68 H new ATOM 0 HD1 HIS A 9 -24.771 -1.618 -6.194 1.00 1.21 H new ATOM 0 HD2 HIS A 9 -22.163 -0.337 -9.179 1.00 1.22 H new ATOM 0 HE1 HIS A 9 -22.568 -2.752 -5.716 1.00 1.69 H new ATOM 158 N GLU A 10 -26.916 0.055 -11.475 1.00 0.60 N ATOM 159 CA GLU A 10 -28.165 0.480 -12.108 1.00 0.73 C ATOM 160 C GLU A 10 -29.368 0.066 -11.261 1.00 0.83 C ATOM 161 O GLU A 10 -30.374 0.772 -11.207 1.00 1.00 O ATOM 162 CB GLU A 10 -28.275 -0.165 -13.504 1.00 0.79 C ATOM 163 CG GLU A 10 -27.987 0.836 -14.623 1.00 1.28 C ATOM 164 CD GLU A 10 -29.154 1.797 -14.788 1.00 1.19 C ATOM 165 OE1 GLU A 10 -30.221 1.371 -15.273 1.00 1.72 O ATOM 166 OE2 GLU A 10 -29.009 2.978 -14.428 1.00 1.52 O ATOM 0 H GLU A 10 -26.535 -0.812 -11.854 1.00 0.60 H new ATOM 0 HA GLU A 10 -28.160 1.566 -12.198 1.00 0.73 H new ATOM 0 HB2 GLU A 10 -27.576 -0.998 -13.574 1.00 0.79 H new ATOM 0 HB3 GLU A 10 -29.276 -0.577 -13.635 1.00 0.79 H new ATOM 0 HG2 GLU A 10 -27.078 1.393 -14.396 1.00 1.28 H new ATOM 0 HG3 GLU A 10 -27.810 0.305 -15.558 1.00 1.28 H new ATOM 173 N TRP A 11 -29.264 -1.098 -10.631 1.00 0.82 N ATOM 174 CA TRP A 11 -30.347 -1.647 -9.817 1.00 0.96 C ATOM 175 C TRP A 11 -29.767 -2.715 -8.883 1.00 0.94 C ATOM 176 O TRP A 11 -29.106 -3.651 -9.343 1.00 0.84 O ATOM 177 CB TRP A 11 -31.402 -2.242 -10.770 1.00 1.08 C ATOM 178 CG TRP A 11 -32.753 -2.469 -10.166 1.00 1.26 C ATOM 179 CD1 TRP A 11 -33.727 -1.536 -9.931 1.00 1.54 C ATOM 180 CD2 TRP A 11 -33.293 -3.734 -9.754 1.00 1.26 C ATOM 181 NE1 TRP A 11 -34.816 -2.169 -9.399 1.00 1.67 N ATOM 182 CE2 TRP A 11 -34.584 -3.506 -9.276 1.00 1.51 C ATOM 183 CE3 TRP A 11 -32.795 -5.034 -9.747 1.00 1.19 C ATOM 184 CZ2 TRP A 11 -35.378 -4.534 -8.800 1.00 1.62 C ATOM 185 CZ3 TRP A 11 -33.579 -6.069 -9.273 1.00 1.35 C ATOM 186 CH2 TRP A 11 -34.857 -5.824 -8.804 1.00 1.53 C ATOM 0 H TRP A 11 -28.432 -1.687 -10.668 1.00 0.82 H new ATOM 0 HA TRP A 11 -30.819 -0.880 -9.203 1.00 0.96 H new ATOM 0 HB2 TRP A 11 -31.512 -1.576 -11.626 1.00 1.08 H new ATOM 0 HB3 TRP A 11 -31.028 -3.192 -11.152 1.00 1.08 H new ATOM 0 HD1 TRP A 11 -33.648 -0.478 -10.132 1.00 1.54 H new ATOM 0 HE1 TRP A 11 -35.683 -1.704 -9.131 1.00 1.67 H new ATOM 0 HE3 TRP A 11 -31.798 -5.233 -10.111 1.00 1.19 H new ATOM 0 HZ2 TRP A 11 -36.376 -4.340 -8.435 1.00 1.62 H new ATOM 0 HZ3 TRP A 11 -33.191 -7.077 -9.269 1.00 1.35 H new ATOM 0 HH2 TRP A 11 -35.457 -6.643 -8.437 1.00 1.53 H new ATOM 353 N SER A 22 -22.351 5.128 -8.336 1.00 1.32 N ATOM 354 CA SER A 22 -22.477 5.501 -9.747 1.00 0.74 C ATOM 355 C SER A 22 -21.100 5.764 -10.363 1.00 0.68 C ATOM 356 O SER A 22 -20.523 6.840 -10.187 1.00 1.69 O ATOM 357 CB SER A 22 -23.365 6.743 -9.883 1.00 1.62 C ATOM 358 OG SER A 22 -24.612 6.540 -9.223 1.00 1.86 O ATOM 0 HA SER A 22 -22.939 4.673 -10.285 1.00 0.74 H new ATOM 0 HB2 SER A 22 -22.858 7.608 -9.456 1.00 1.62 H new ATOM 0 HB3 SER A 22 -23.536 6.961 -10.937 1.00 1.62 H new ATOM 0 HG SER A 22 -24.467 6.029 -8.399 1.00 1.86 H new ATOM 364 N TRP A 23 -20.598 4.763 -11.091 1.00 0.69 N ATOM 365 CA TRP A 23 -19.299 4.813 -11.781 1.00 0.41 C ATOM 366 C TRP A 23 -18.131 4.927 -10.801 1.00 0.40 C ATOM 367 O TRP A 23 -17.639 6.021 -10.511 1.00 0.55 O ATOM 368 CB TRP A 23 -19.271 5.938 -12.839 1.00 0.43 C ATOM 369 CG TRP A 23 -20.149 5.625 -14.018 1.00 0.40 C ATOM 370 CD1 TRP A 23 -21.172 6.381 -14.517 1.00 0.45 C ATOM 371 CD2 TRP A 23 -20.078 4.443 -14.837 1.00 0.34 C ATOM 372 NE1 TRP A 23 -21.727 5.720 -15.579 1.00 0.42 N ATOM 373 CE2 TRP A 23 -21.084 4.538 -15.804 1.00 0.36 C ATOM 374 CE3 TRP A 23 -19.258 3.316 -14.836 1.00 0.30 C ATOM 375 CZ2 TRP A 23 -21.282 3.543 -16.751 1.00 0.35 C ATOM 376 CZ3 TRP A 23 -19.446 2.323 -15.775 1.00 0.29 C ATOM 377 CH2 TRP A 23 -20.451 2.433 -16.728 1.00 0.31 C ATOM 0 H TRP A 23 -21.089 3.878 -11.222 1.00 0.69 H new ATOM 0 HA TRP A 23 -19.175 3.865 -12.305 1.00 0.41 H new ATOM 0 HB2 TRP A 23 -19.597 6.873 -12.383 1.00 0.43 H new ATOM 0 HB3 TRP A 23 -18.247 6.089 -13.180 1.00 0.43 H new ATOM 0 HD1 TRP A 23 -21.490 7.341 -14.137 1.00 0.45 H new ATOM 0 HE1 TRP A 23 -22.515 6.064 -16.128 1.00 0.42 H new ATOM 0 HE3 TRP A 23 -18.474 3.220 -14.099 1.00 0.30 H new ATOM 0 HZ2 TRP A 23 -22.065 3.631 -17.489 1.00 0.35 H new ATOM 0 HZ3 TRP A 23 -18.807 1.453 -15.769 1.00 0.29 H new ATOM 0 HH2 TRP A 23 -20.586 1.648 -17.457 1.00 0.31 H new ATOM 388 N HIS A 24 -17.698 3.766 -10.314 1.00 0.37 N ATOM 389 CA HIS A 24 -16.585 3.642 -9.380 1.00 0.45 C ATOM 390 C HIS A 24 -15.528 2.732 -10.013 1.00 0.36 C ATOM 391 O HIS A 24 -15.810 1.564 -10.307 1.00 0.34 O ATOM 392 CB HIS A 24 -17.099 3.037 -8.058 1.00 0.61 C ATOM 393 CG HIS A 24 -16.065 2.978 -6.973 1.00 1.18 C ATOM 394 ND1 HIS A 24 -15.690 4.059 -6.219 1.00 2.08 N ATOM 395 CD2 HIS A 24 -15.323 1.947 -6.503 1.00 1.66 C ATOM 396 CE1 HIS A 24 -14.779 3.724 -5.337 1.00 2.98 C ATOM 397 NE2 HIS A 24 -14.526 2.432 -5.481 1.00 2.74 N ATOM 0 H HIS A 24 -18.119 2.871 -10.563 1.00 0.37 H new ATOM 0 HA HIS A 24 -16.146 4.617 -9.168 1.00 0.45 H new ATOM 0 HB2 HIS A 24 -17.947 3.625 -7.706 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -17.467 2.029 -8.250 1.00 0.61 H new ATOM 0 HD1 HIS A 24 -16.069 5.000 -6.329 1.00 2.08 H new ATOM 0 HD2 HIS A 24 -15.349 0.929 -6.862 1.00 1.66 H new ATOM 0 HE1 HIS A 24 -14.316 4.385 -4.619 1.00 2.98 H new ATOM 405 N ASN A 25 -14.321 3.261 -10.234 1.00 0.37 N ATOM 406 CA ASN A 25 -13.232 2.477 -10.837 1.00 0.35 C ATOM 407 C ASN A 25 -12.759 1.403 -9.845 1.00 0.34 C ATOM 408 O ASN A 25 -12.236 1.711 -8.768 1.00 0.55 O ATOM 409 CB ASN A 25 -12.070 3.392 -11.302 1.00 0.44 C ATOM 410 CG ASN A 25 -11.334 4.059 -10.135 1.00 0.99 C ATOM 411 OD1 ASN A 25 -11.942 4.722 -9.293 1.00 1.71 O ATOM 412 ND2 ASN A 25 -10.020 3.900 -10.096 1.00 1.49 N ATOM 0 H ASN A 25 -14.071 4.223 -10.007 1.00 0.37 H new ATOM 0 HA ASN A 25 -13.607 1.976 -11.730 1.00 0.35 H new ATOM 0 HB2 ASN A 25 -11.361 2.803 -11.884 1.00 0.44 H new ATOM 0 HB3 ASN A 25 -12.464 4.163 -11.965 1.00 0.44 H new ATOM 0 HD21 ASN A 25 -9.476 4.334 -9.350 1.00 1.49 H new ATOM 0 HD22 ASN A 25 -9.552 3.344 -10.811 1.00 1.49 H new ATOM 419 N VAL A 26 -12.994 0.142 -10.198 1.00 0.22 N ATOM 420 CA VAL A 26 -12.650 -0.992 -9.338 1.00 0.21 C ATOM 421 C VAL A 26 -11.910 -2.070 -10.133 1.00 0.18 C ATOM 422 O VAL A 26 -11.886 -2.047 -11.367 1.00 0.23 O ATOM 423 CB VAL A 26 -13.953 -1.545 -8.714 1.00 0.25 C ATOM 424 CG1 VAL A 26 -14.699 -2.476 -9.679 1.00 0.31 C ATOM 425 CG2 VAL A 26 -13.685 -2.255 -7.388 1.00 0.31 C ATOM 0 H VAL A 26 -13.426 -0.124 -11.083 1.00 0.22 H new ATOM 0 HA VAL A 26 -11.979 -0.667 -8.543 1.00 0.21 H new ATOM 0 HB VAL A 26 -14.593 -0.685 -8.516 1.00 0.25 H new ATOM 0 HG11 VAL A 26 -15.608 -2.842 -9.202 1.00 0.31 H new ATOM 0 HG12 VAL A 26 -14.960 -1.928 -10.584 1.00 0.31 H new ATOM 0 HG13 VAL A 26 -14.060 -3.320 -9.937 1.00 0.31 H new ATOM 0 HG21 VAL A 26 -14.624 -2.630 -6.980 1.00 0.31 H new ATOM 0 HG22 VAL A 26 -13.002 -3.089 -7.553 1.00 0.31 H new ATOM 0 HG23 VAL A 26 -13.238 -1.554 -6.684 1.00 0.31 H new ATOM 435 N TYR A 27 -11.319 -3.020 -9.418 1.00 0.16 N ATOM 436 CA TYR A 27 -10.588 -4.129 -10.034 1.00 0.16 C ATOM 437 C TYR A 27 -11.447 -5.389 -9.952 1.00 0.19 C ATOM 438 O TYR A 27 -11.996 -5.700 -8.895 1.00 0.34 O ATOM 439 CB TYR A 27 -9.250 -4.344 -9.317 1.00 0.17 C ATOM 440 CG TYR A 27 -8.216 -5.025 -10.185 1.00 0.18 C ATOM 441 CD1 TYR A 27 -7.416 -4.279 -11.034 1.00 0.28 C ATOM 442 CD2 TYR A 27 -8.074 -6.402 -10.140 1.00 0.26 C ATOM 443 CE1 TYR A 27 -6.475 -4.909 -11.830 1.00 0.33 C ATOM 444 CE2 TYR A 27 -7.134 -7.029 -10.935 1.00 0.30 C ATOM 445 CZ TYR A 27 -6.316 -6.262 -11.766 1.00 0.29 C ATOM 446 OH TYR A 27 -5.403 -6.907 -12.569 1.00 0.37 O ATOM 0 H TYR A 27 -11.331 -3.047 -8.398 1.00 0.16 H new ATOM 0 HA TYR A 27 -10.378 -3.899 -11.079 1.00 0.16 H new ATOM 0 HB2 TYR A 27 -8.862 -3.380 -8.988 1.00 0.17 H new ATOM 0 HB3 TYR A 27 -9.416 -4.943 -8.422 1.00 0.17 H new ATOM 0 HD1 TYR A 27 -7.526 -3.205 -11.075 1.00 0.28 H new ATOM 0 HD2 TYR A 27 -8.699 -6.987 -9.482 1.00 0.26 H new ATOM 0 HE1 TYR A 27 -5.864 -4.327 -12.504 1.00 0.33 H new ATOM 0 HE2 TYR A 27 -7.033 -8.104 -10.914 1.00 0.30 H new ATOM 0 HH TYR A 27 -5.428 -7.869 -12.385 1.00 0.37 H new ATOM 456 N CYS A 28 -11.576 -6.099 -11.070 1.00 0.16 N ATOM 457 CA CYS A 28 -12.388 -7.319 -11.134 1.00 0.19 C ATOM 458 C CYS A 28 -11.520 -8.537 -11.456 1.00 0.19 C ATOM 459 O CYS A 28 -10.633 -8.476 -12.312 1.00 0.23 O ATOM 460 CB CYS A 28 -13.480 -7.154 -12.194 1.00 0.23 C ATOM 461 SG CYS A 28 -14.459 -5.665 -11.932 1.00 0.34 S ATOM 0 H CYS A 28 -11.127 -5.851 -11.951 1.00 0.16 H new ATOM 0 HA CYS A 28 -12.850 -7.481 -10.160 1.00 0.19 H new ATOM 0 HB2 CYS A 28 -13.022 -7.117 -13.183 1.00 0.23 H new ATOM 0 HB3 CYS A 28 -14.135 -8.025 -12.178 1.00 0.23 H new ATOM 0 HG CYS A 28 -15.035 -5.724 -10.768 1.00 0.34 H new ATOM 467 N VAL A 29 -11.800 -9.642 -10.763 1.00 0.21 N ATOM 468 CA VAL A 29 -11.085 -10.909 -10.941 1.00 0.24 C ATOM 469 C VAL A 29 -12.106 -12.049 -10.995 1.00 0.26 C ATOM 470 O VAL A 29 -12.954 -12.156 -10.111 1.00 0.38 O ATOM 471 CB VAL A 29 -10.110 -11.132 -9.770 1.00 0.29 C ATOM 472 CG1 VAL A 29 -9.409 -12.490 -9.880 1.00 0.37 C ATOM 473 CG2 VAL A 29 -9.077 -10.007 -9.695 1.00 0.33 C ATOM 0 H VAL A 29 -12.535 -9.684 -10.057 1.00 0.21 H new ATOM 0 HA VAL A 29 -10.514 -10.882 -11.869 1.00 0.24 H new ATOM 0 HB VAL A 29 -10.696 -11.125 -8.851 1.00 0.29 H new ATOM 0 HG11 VAL A 29 -8.728 -12.617 -9.039 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -10.154 -13.286 -9.867 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -8.846 -12.535 -10.812 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -8.401 -10.189 -8.860 1.00 0.33 H new ATOM 0 HG22 VAL A 29 -8.506 -9.974 -10.623 1.00 0.33 H new ATOM 0 HG23 VAL A 29 -9.586 -9.054 -9.549 1.00 0.33 H new ATOM 483 N ILE A 30 -12.016 -12.905 -12.014 1.00 0.28 N ATOM 484 CA ILE A 30 -12.930 -14.050 -12.159 1.00 0.32 C ATOM 485 C ILE A 30 -12.188 -15.334 -11.797 1.00 0.35 C ATOM 486 O ILE A 30 -11.088 -15.583 -12.296 1.00 0.44 O ATOM 487 CB ILE A 30 -13.472 -14.144 -13.594 1.00 0.40 C ATOM 488 CG1 ILE A 30 -14.190 -12.845 -13.986 1.00 0.47 C ATOM 489 CG2 ILE A 30 -14.426 -15.338 -13.736 1.00 0.50 C ATOM 490 CD1 ILE A 30 -14.731 -12.912 -15.413 1.00 0.57 C ATOM 0 H ILE A 30 -11.319 -12.831 -12.755 1.00 0.28 H new ATOM 0 HA ILE A 30 -13.777 -13.910 -11.487 1.00 0.32 H new ATOM 0 HB ILE A 30 -12.627 -14.293 -14.266 1.00 0.40 H new ATOM 0 HG12 ILE A 30 -15.011 -12.659 -13.293 1.00 0.47 H new ATOM 0 HG13 ILE A 30 -13.500 -12.006 -13.896 1.00 0.47 H new ATOM 0 HG21 ILE A 30 -14.798 -15.386 -14.759 1.00 0.50 H new ATOM 0 HG22 ILE A 30 -13.894 -16.259 -13.500 1.00 0.50 H new ATOM 0 HG23 ILE A 30 -15.264 -15.217 -13.050 1.00 0.50 H new ATOM 0 HD11 ILE A 30 -15.233 -11.975 -15.656 1.00 0.57 H new ATOM 0 HD12 ILE A 30 -13.906 -13.073 -16.108 1.00 0.57 H new ATOM 0 HD13 ILE A 30 -15.440 -13.736 -15.495 1.00 0.57 H new ATOM 502 N ASN A 31 -12.796 -16.146 -10.934 1.00 0.46 N ATOM 503 CA ASN A 31 -12.205 -17.417 -10.501 1.00 0.58 C ATOM 504 C ASN A 31 -13.149 -18.576 -10.842 1.00 0.71 C ATOM 505 O ASN A 31 -13.290 -19.526 -10.072 1.00 1.20 O ATOM 506 CB ASN A 31 -11.889 -17.374 -8.991 1.00 0.73 C ATOM 507 CG ASN A 31 -10.753 -18.347 -8.658 1.00 0.93 C ATOM 508 OD1 ASN A 31 -9.598 -18.102 -9.001 1.00 1.27 O ATOM 509 ND2 ASN A 31 -11.074 -19.447 -7.994 1.00 1.47 N ATOM 0 H ASN A 31 -13.705 -15.946 -10.516 1.00 0.46 H new ATOM 0 HA ASN A 31 -11.267 -17.576 -11.032 1.00 0.58 H new ATOM 0 HB2 ASN A 31 -11.607 -16.362 -8.700 1.00 0.73 H new ATOM 0 HB3 ASN A 31 -12.779 -17.634 -8.419 1.00 0.73 H new ATOM 0 HD21 ASN A 31 -10.352 -20.125 -7.751 1.00 1.47 H new ATOM 0 HD22 ASN A 31 -12.043 -19.616 -7.726 1.00 1.47 H new ATOM 516 N ASN A 32 -13.769 -18.493 -12.028 1.00 0.85 N ATOM 517 CA ASN A 32 -14.685 -19.530 -12.543 1.00 1.00 C ATOM 518 C ASN A 32 -16.034 -19.551 -11.801 1.00 1.00 C ATOM 519 O ASN A 32 -16.131 -20.049 -10.685 1.00 1.97 O ATOM 520 CB ASN A 32 -14.007 -20.914 -12.465 1.00 1.24 C ATOM 521 CG ASN A 32 -14.614 -21.876 -13.485 1.00 1.73 C ATOM 522 OD1 ASN A 32 -15.297 -22.833 -13.123 1.00 2.06 O ATOM 523 ND2 ASN A 32 -14.365 -21.627 -14.763 1.00 2.52 N ATOM 0 H ASN A 32 -13.651 -17.703 -12.662 1.00 0.85 H new ATOM 0 HA ASN A 32 -14.902 -19.284 -13.583 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -12.938 -20.810 -12.648 1.00 1.24 H new ATOM 0 HB3 ASN A 32 -14.120 -21.323 -11.461 1.00 1.24 H new ATOM 0 HD21 ASN A 32 -14.745 -22.239 -15.485 1.00 2.52 H new ATOM 0 HD22 ASN A 32 -13.794 -20.823 -15.024 1.00 2.52 H new ATOM 530 N GLN A 33 -17.078 -19.015 -12.442 1.00 0.75 N ATOM 531 CA GLN A 33 -18.451 -18.978 -11.884 1.00 0.67 C ATOM 532 C GLN A 33 -18.574 -18.086 -10.633 1.00 0.56 C ATOM 533 O GLN A 33 -19.692 -17.899 -10.109 1.00 0.71 O ATOM 534 CB GLN A 33 -18.937 -20.400 -11.561 1.00 0.83 C ATOM 535 CG GLN A 33 -20.436 -20.551 -11.839 1.00 1.46 C ATOM 536 CD GLN A 33 -20.862 -22.005 -11.666 1.00 1.85 C ATOM 537 OE1 GLN A 33 -20.664 -22.828 -12.563 1.00 2.11 O ATOM 538 NE2 GLN A 33 -21.446 -22.326 -10.520 1.00 2.67 N ATOM 0 H GLN A 33 -17.003 -18.591 -13.367 1.00 0.75 H new ATOM 0 HA GLN A 33 -19.083 -18.535 -12.654 1.00 0.67 H new ATOM 0 HB2 GLN A 33 -18.379 -21.122 -12.158 1.00 0.83 H new ATOM 0 HB3 GLN A 33 -18.734 -20.627 -10.514 1.00 0.83 H new ATOM 0 HG2 GLN A 33 -21.005 -19.915 -11.160 1.00 1.46 H new ATOM 0 HG3 GLN A 33 -20.660 -20.217 -12.852 1.00 1.46 H new ATOM 0 HE21 GLN A 33 -21.591 -21.614 -9.804 1.00 2.67 H new ATOM 0 HE22 GLN A 33 -21.751 -23.285 -10.354 1.00 2.67 H new ATOM 547 N GLU A 34 -17.436 -17.551 -10.165 1.00 0.53 N ATOM 548 CA GLU A 34 -17.384 -16.684 -8.995 1.00 0.49 C ATOM 549 C GLU A 34 -16.292 -15.644 -9.222 1.00 0.45 C ATOM 550 O GLU A 34 -15.169 -15.994 -9.587 1.00 0.64 O ATOM 551 CB GLU A 34 -17.103 -17.502 -7.726 1.00 0.61 C ATOM 552 CG GLU A 34 -17.984 -17.040 -6.565 1.00 1.25 C ATOM 553 CD GLU A 34 -17.877 -18.015 -5.403 1.00 1.42 C ATOM 554 OE1 GLU A 34 -18.327 -19.167 -5.543 1.00 1.79 O ATOM 555 OE2 GLU A 34 -17.350 -17.626 -4.342 1.00 1.89 O ATOM 0 H GLU A 34 -16.525 -17.713 -10.595 1.00 0.53 H new ATOM 0 HA GLU A 34 -18.345 -16.188 -8.855 1.00 0.49 H new ATOM 0 HB2 GLU A 34 -17.282 -18.559 -7.924 1.00 0.61 H new ATOM 0 HB3 GLU A 34 -16.053 -17.403 -7.451 1.00 0.61 H new ATOM 0 HG2 GLU A 34 -17.680 -16.044 -6.243 1.00 1.25 H new ATOM 0 HG3 GLU A 34 -19.021 -16.966 -6.893 1.00 1.25 H new ATOM 562 N MET A 35 -16.619 -14.374 -9.016 1.00 0.36 N ATOM 563 CA MET A 35 -15.662 -13.283 -9.207 1.00 0.35 C ATOM 564 C MET A 35 -15.454 -12.519 -7.903 1.00 0.32 C ATOM 565 O MET A 35 -16.310 -12.533 -7.013 1.00 0.42 O ATOM 566 CB MET A 35 -16.132 -12.337 -10.325 1.00 0.41 C ATOM 567 CG MET A 35 -17.543 -11.788 -10.088 1.00 0.43 C ATOM 568 SD MET A 35 -18.040 -10.622 -11.369 1.00 0.60 S ATOM 569 CE MET A 35 -19.649 -10.095 -10.760 1.00 1.25 C ATOM 0 H MET A 35 -17.545 -14.070 -8.715 1.00 0.36 H new ATOM 0 HA MET A 35 -14.706 -13.713 -9.507 1.00 0.35 H new ATOM 0 HB2 MET A 35 -15.433 -11.505 -10.408 1.00 0.41 H new ATOM 0 HB3 MET A 35 -16.109 -12.868 -11.277 1.00 0.41 H new ATOM 0 HG2 MET A 35 -18.253 -12.615 -10.056 1.00 0.43 H new ATOM 0 HG3 MET A 35 -17.582 -11.296 -9.116 1.00 0.43 H new ATOM 0 HE1 MET A 35 -20.057 -9.331 -11.423 1.00 1.25 H new ATOM 0 HE2 MET A 35 -20.325 -10.949 -10.732 1.00 1.25 H new ATOM 0 HE3 MET A 35 -19.541 -9.684 -9.756 1.00 1.25 H new ATOM 579 N GLY A 36 -14.307 -11.857 -7.802 1.00 0.27 N ATOM 580 CA GLY A 36 -13.950 -11.077 -6.622 1.00 0.29 C ATOM 581 C GLY A 36 -13.609 -9.643 -7.014 1.00 0.25 C ATOM 582 O GLY A 36 -12.874 -9.413 -7.982 1.00 0.28 O ATOM 0 H GLY A 36 -13.598 -11.846 -8.535 1.00 0.27 H new ATOM 0 HA2 GLY A 36 -14.778 -11.080 -5.913 1.00 0.29 H new ATOM 0 HA3 GLY A 36 -13.098 -11.535 -6.120 1.00 0.29 H new ATOM 586 N PHE A 37 -14.131 -8.684 -6.252 1.00 0.24 N ATOM 587 CA PHE A 37 -13.878 -7.262 -6.496 1.00 0.25 C ATOM 588 C PHE A 37 -12.780 -6.775 -5.552 1.00 0.25 C ATOM 589 O PHE A 37 -12.837 -7.016 -4.345 1.00 0.40 O ATOM 590 CB PHE A 37 -15.156 -6.450 -6.282 1.00 0.30 C ATOM 591 CG PHE A 37 -16.204 -6.707 -7.346 1.00 0.28 C ATOM 592 CD1 PHE A 37 -15.995 -6.265 -8.643 1.00 0.39 C ATOM 593 CD2 PHE A 37 -17.371 -7.393 -7.033 1.00 0.43 C ATOM 594 CE1 PHE A 37 -16.947 -6.504 -9.622 1.00 0.41 C ATOM 595 CE2 PHE A 37 -18.323 -7.629 -8.016 1.00 0.45 C ATOM 596 CZ PHE A 37 -18.108 -7.184 -9.308 1.00 0.33 C ATOM 0 H PHE A 37 -14.738 -8.867 -5.453 1.00 0.24 H new ATOM 0 HA PHE A 37 -13.555 -7.127 -7.528 1.00 0.25 H new ATOM 0 HB2 PHE A 37 -15.573 -6.689 -5.304 1.00 0.30 H new ATOM 0 HB3 PHE A 37 -14.908 -5.389 -6.272 1.00 0.30 H new ATOM 0 HD1 PHE A 37 -15.088 -5.733 -8.891 1.00 0.39 H new ATOM 0 HD2 PHE A 37 -17.538 -7.743 -6.025 1.00 0.43 H new ATOM 0 HE1 PHE A 37 -16.781 -6.158 -10.632 1.00 0.41 H new ATOM 0 HE2 PHE A 37 -19.231 -8.160 -7.772 1.00 0.45 H new ATOM 0 HZ PHE A 37 -18.849 -7.368 -10.072 1.00 0.33 H new ATOM 606 N TYR A 38 -11.782 -6.098 -6.111 1.00 0.20 N ATOM 607 CA TYR A 38 -10.645 -5.576 -5.340 1.00 0.21 C ATOM 608 C TYR A 38 -10.386 -4.107 -5.691 1.00 0.21 C ATOM 609 O TYR A 38 -11.082 -3.521 -6.524 1.00 0.23 O ATOM 610 CB TYR A 38 -9.387 -6.407 -5.645 1.00 0.23 C ATOM 611 CG TYR A 38 -9.507 -7.863 -5.259 1.00 0.27 C ATOM 612 CD1 TYR A 38 -10.094 -8.761 -6.130 1.00 0.27 C ATOM 613 CD2 TYR A 38 -9.048 -8.299 -4.027 1.00 0.42 C ATOM 614 CE1 TYR A 38 -10.219 -10.093 -5.776 1.00 0.35 C ATOM 615 CE2 TYR A 38 -9.175 -9.630 -3.670 1.00 0.50 C ATOM 616 CZ TYR A 38 -9.693 -10.531 -4.561 1.00 0.44 C ATOM 617 OH TYR A 38 -9.896 -11.844 -4.189 1.00 0.55 O ATOM 0 H TYR A 38 -11.733 -5.893 -7.109 1.00 0.20 H new ATOM 0 HA TYR A 38 -10.883 -5.646 -4.279 1.00 0.21 H new ATOM 0 HB2 TYR A 38 -9.169 -6.341 -6.711 1.00 0.23 H new ATOM 0 HB3 TYR A 38 -8.538 -5.970 -5.118 1.00 0.23 H new ATOM 0 HD1 TYR A 38 -10.456 -8.422 -7.089 1.00 0.27 H new ATOM 0 HD2 TYR A 38 -8.590 -7.599 -3.344 1.00 0.42 H new ATOM 0 HE1 TYR A 38 -10.719 -10.787 -6.435 1.00 0.35 H new ATOM 0 HE2 TYR A 38 -8.865 -9.958 -2.689 1.00 0.50 H new ATOM 0 HH TYR A 38 -9.473 -12.007 -3.320 1.00 0.55 H new ATOM 627 N LYS A 39 -9.362 -3.519 -5.062 1.00 0.25 N ATOM 628 CA LYS A 39 -8.990 -2.118 -5.307 1.00 0.29 C ATOM 629 C LYS A 39 -8.126 -2.004 -6.572 1.00 0.28 C ATOM 630 O LYS A 39 -8.355 -1.134 -7.413 1.00 0.33 O ATOM 631 CB LYS A 39 -8.236 -1.556 -4.089 1.00 0.36 C ATOM 632 CG LYS A 39 -8.335 -0.032 -4.015 1.00 0.70 C ATOM 633 CD LYS A 39 -7.658 0.509 -2.751 1.00 1.15 C ATOM 634 CE LYS A 39 -7.253 1.979 -2.908 1.00 1.82 C ATOM 635 NZ LYS A 39 -6.261 2.159 -4.005 1.00 2.51 N ATOM 0 H LYS A 39 -8.773 -3.993 -4.377 1.00 0.25 H new ATOM 0 HA LYS A 39 -9.898 -1.535 -5.460 1.00 0.29 H new ATOM 0 HB2 LYS A 39 -8.643 -1.992 -3.177 1.00 0.36 H new ATOM 0 HB3 LYS A 39 -7.188 -1.850 -4.143 1.00 0.36 H new ATOM 0 HG2 LYS A 39 -7.869 0.408 -4.897 1.00 0.70 H new ATOM 0 HG3 LYS A 39 -9.383 0.267 -4.025 1.00 0.70 H new ATOM 0 HD2 LYS A 39 -8.336 0.407 -1.903 1.00 1.15 H new ATOM 0 HD3 LYS A 39 -6.775 -0.090 -2.527 1.00 1.15 H new ATOM 0 HE2 LYS A 39 -8.138 2.581 -3.114 1.00 1.82 H new ATOM 0 HE3 LYS A 39 -6.831 2.343 -1.971 1.00 1.82 H new ATOM 0 HZ1 LYS A 39 -5.419 2.645 -3.635 1.00 2.51 H new ATOM 0 HZ2 LYS A 39 -5.987 1.229 -4.381 1.00 2.51 H new ATOM 0 HZ3 LYS A 39 -6.684 2.729 -4.765 1.00 2.51 H new ATOM 649 N ASP A 40 -7.137 -2.891 -6.696 1.00 0.28 N ATOM 650 CA ASP A 40 -6.226 -2.913 -7.851 1.00 0.32 C ATOM 651 C ASP A 40 -5.652 -4.325 -8.044 1.00 0.33 C ATOM 652 O ASP A 40 -6.131 -5.292 -7.439 1.00 0.32 O ATOM 653 CB ASP A 40 -5.093 -1.882 -7.664 1.00 0.38 C ATOM 654 CG ASP A 40 -4.060 -2.334 -6.627 1.00 0.57 C ATOM 655 OD1 ASP A 40 -4.453 -2.773 -5.530 1.00 0.84 O ATOM 656 OD2 ASP A 40 -2.850 -2.252 -6.917 1.00 0.94 O ATOM 0 H ASP A 40 -6.942 -3.614 -6.003 1.00 0.28 H new ATOM 0 HA ASP A 40 -6.786 -2.642 -8.746 1.00 0.32 H new ATOM 0 HB2 ASP A 40 -4.596 -1.715 -8.620 1.00 0.38 H new ATOM 0 HB3 ASP A 40 -5.520 -0.928 -7.356 1.00 0.38 H new ATOM 661 N ALA A 41 -4.610 -4.433 -8.875 1.00 0.40 N ATOM 662 CA ALA A 41 -3.947 -5.715 -9.147 1.00 0.45 C ATOM 663 C ALA A 41 -3.203 -6.225 -7.908 1.00 0.45 C ATOM 664 O ALA A 41 -3.212 -7.424 -7.623 1.00 0.47 O ATOM 665 CB ALA A 41 -2.971 -5.563 -10.321 1.00 0.55 C ATOM 0 H ALA A 41 -4.204 -3.642 -9.375 1.00 0.40 H new ATOM 0 HA ALA A 41 -4.713 -6.445 -9.408 1.00 0.45 H new ATOM 0 HB1 ALA A 41 -2.484 -6.519 -10.515 1.00 0.55 H new ATOM 0 HB2 ALA A 41 -3.517 -5.247 -11.210 1.00 0.55 H new ATOM 0 HB3 ALA A 41 -2.217 -4.816 -10.073 1.00 0.55 H new ATOM 671 N LYS A 42 -2.576 -5.309 -7.158 1.00 0.46 N ATOM 672 CA LYS A 42 -1.843 -5.671 -5.937 1.00 0.48 C ATOM 673 C LYS A 42 -2.813 -6.191 -4.869 1.00 0.43 C ATOM 674 O LYS A 42 -2.549 -7.204 -4.223 1.00 0.47 O ATOM 675 CB LYS A 42 -1.066 -4.464 -5.408 1.00 0.54 C ATOM 676 CG LYS A 42 -0.088 -3.919 -6.455 1.00 0.77 C ATOM 677 CD LYS A 42 1.350 -3.940 -5.935 1.00 1.12 C ATOM 678 CE LYS A 42 2.358 -3.622 -7.040 1.00 1.96 C ATOM 679 NZ LYS A 42 1.953 -2.425 -7.826 1.00 2.76 N ATOM 0 H LYS A 42 -2.562 -4.312 -7.375 1.00 0.46 H new ATOM 0 HA LYS A 42 -1.134 -6.463 -6.177 1.00 0.48 H new ATOM 0 HB2 LYS A 42 -1.765 -3.679 -5.119 1.00 0.54 H new ATOM 0 HB3 LYS A 42 -0.517 -4.749 -4.510 1.00 0.54 H new ATOM 0 HG2 LYS A 42 -0.157 -4.515 -7.365 1.00 0.77 H new ATOM 0 HG3 LYS A 42 -0.366 -2.899 -6.720 1.00 0.77 H new ATOM 0 HD2 LYS A 42 1.455 -3.215 -5.128 1.00 1.12 H new ATOM 0 HD3 LYS A 42 1.570 -4.921 -5.514 1.00 1.12 H new ATOM 0 HE2 LYS A 42 3.340 -3.453 -6.599 1.00 1.96 H new ATOM 0 HE3 LYS A 42 2.451 -4.480 -7.706 1.00 1.96 H new ATOM 0 HZ1 LYS A 42 2.751 -2.108 -8.412 1.00 2.76 H new ATOM 0 HZ2 LYS A 42 1.148 -2.668 -8.439 1.00 2.76 H new ATOM 0 HZ3 LYS A 42 1.676 -1.661 -7.177 1.00 2.76 H new ATOM 693 N SER A 43 -3.951 -5.509 -4.712 1.00 0.38 N ATOM 694 CA SER A 43 -4.984 -5.915 -3.745 1.00 0.38 C ATOM 695 C SER A 43 -5.540 -7.303 -4.105 1.00 0.39 C ATOM 696 O SER A 43 -5.831 -8.114 -3.223 1.00 0.45 O ATOM 697 CB SER A 43 -6.118 -4.889 -3.722 1.00 0.37 C ATOM 698 OG SER A 43 -5.615 -3.597 -3.413 1.00 1.04 O ATOM 0 H SER A 43 -4.184 -4.670 -5.243 1.00 0.38 H new ATOM 0 HA SER A 43 -4.531 -5.965 -2.755 1.00 0.38 H new ATOM 0 HB2 SER A 43 -6.618 -4.869 -4.691 1.00 0.37 H new ATOM 0 HB3 SER A 43 -6.865 -5.181 -2.984 1.00 0.37 H new ATOM 0 HG SER A 43 -5.370 -3.134 -4.242 1.00 1.04 H new ATOM 704 N ALA A 44 -5.663 -7.568 -5.412 1.00 0.37 N ATOM 705 CA ALA A 44 -6.160 -8.853 -5.918 1.00 0.43 C ATOM 706 C ALA A 44 -5.118 -9.957 -5.710 1.00 0.51 C ATOM 707 O ALA A 44 -5.451 -11.061 -5.278 1.00 0.59 O ATOM 708 CB ALA A 44 -6.505 -8.729 -7.405 1.00 0.43 C ATOM 0 H ALA A 44 -5.422 -6.901 -6.145 1.00 0.37 H new ATOM 0 HA ALA A 44 -7.059 -9.120 -5.362 1.00 0.43 H new ATOM 0 HB1 ALA A 44 -6.873 -9.686 -7.774 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.275 -7.969 -7.538 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -5.613 -8.444 -7.963 1.00 0.43 H new ATOM 714 N ALA A 45 -3.855 -9.648 -6.017 1.00 0.54 N ATOM 715 CA ALA A 45 -2.745 -10.602 -5.870 1.00 0.64 C ATOM 716 C ALA A 45 -2.453 -10.888 -4.390 1.00 0.68 C ATOM 717 O ALA A 45 -2.169 -12.026 -4.012 1.00 0.76 O ATOM 718 CB ALA A 45 -1.492 -10.045 -6.554 1.00 0.69 C ATOM 0 H ALA A 45 -3.571 -8.735 -6.373 1.00 0.54 H new ATOM 0 HA ALA A 45 -3.033 -11.540 -6.344 1.00 0.64 H new ATOM 0 HB1 ALA A 45 -0.671 -10.754 -6.443 1.00 0.69 H new ATOM 0 HB2 ALA A 45 -1.695 -9.888 -7.613 1.00 0.69 H new ATOM 0 HB3 ALA A 45 -1.217 -9.097 -6.093 1.00 0.69 H new ATOM 724 N SER A 46 -2.521 -9.843 -3.562 1.00 0.65 N ATOM 725 CA SER A 46 -2.265 -9.952 -2.120 1.00 0.73 C ATOM 726 C SER A 46 -3.413 -10.676 -1.399 1.00 0.74 C ATOM 727 O SER A 46 -3.186 -11.390 -0.419 1.00 0.84 O ATOM 728 CB SER A 46 -2.074 -8.548 -1.528 1.00 0.75 C ATOM 729 OG SER A 46 -1.525 -8.616 -0.220 1.00 1.21 O ATOM 0 H SER A 46 -2.754 -8.899 -3.869 1.00 0.65 H new ATOM 0 HA SER A 46 -1.359 -10.540 -1.975 1.00 0.73 H new ATOM 0 HB2 SER A 46 -1.416 -7.965 -2.172 1.00 0.75 H new ATOM 0 HB3 SER A 46 -3.032 -8.029 -1.497 1.00 0.75 H new ATOM 0 HG SER A 46 -1.412 -7.710 0.135 1.00 1.21 H new ATOM 735 N GLY A 47 -4.639 -10.479 -1.882 1.00 0.70 N ATOM 736 CA GLY A 47 -5.826 -11.100 -1.287 1.00 0.74 C ATOM 737 C GLY A 47 -6.426 -10.196 -0.211 1.00 0.75 C ATOM 738 O GLY A 47 -6.798 -10.657 0.870 1.00 0.88 O ATOM 0 H GLY A 47 -4.839 -9.890 -2.690 1.00 0.70 H new ATOM 0 HA2 GLY A 47 -6.568 -11.294 -2.061 1.00 0.74 H new ATOM 0 HA3 GLY A 47 -5.559 -12.063 -0.853 1.00 0.74 H new ATOM 742 N ILE A 48 -6.523 -8.900 -0.519 1.00 0.67 N ATOM 743 CA ILE A 48 -7.084 -7.907 0.403 1.00 0.72 C ATOM 744 C ILE A 48 -8.571 -7.707 0.079 1.00 0.75 C ATOM 745 O ILE A 48 -8.914 -7.314 -1.037 1.00 0.75 O ATOM 746 CB ILE A 48 -6.312 -6.578 0.270 1.00 0.71 C ATOM 747 CG1 ILE A 48 -4.880 -6.736 0.808 1.00 0.78 C ATOM 748 CG2 ILE A 48 -7.026 -5.436 1.003 1.00 0.82 C ATOM 749 CD1 ILE A 48 -3.982 -5.576 0.378 1.00 0.97 C ATOM 0 H ILE A 48 -6.217 -8.510 -1.410 1.00 0.67 H new ATOM 0 HA ILE A 48 -6.989 -8.256 1.431 1.00 0.72 H new ATOM 0 HB ILE A 48 -6.272 -6.324 -0.789 1.00 0.71 H new ATOM 0 HG12 ILE A 48 -4.905 -6.793 1.896 1.00 0.78 H new ATOM 0 HG13 ILE A 48 -4.458 -7.675 0.449 1.00 0.78 H new ATOM 0 HG21 ILE A 48 -6.454 -4.516 0.888 1.00 0.82 H new ATOM 0 HG22 ILE A 48 -8.022 -5.299 0.581 1.00 0.82 H new ATOM 0 HG23 ILE A 48 -7.111 -5.680 2.062 1.00 0.82 H new ATOM 0 HD11 ILE A 48 -2.979 -5.725 0.778 1.00 0.97 H new ATOM 0 HD12 ILE A 48 -3.936 -5.535 -0.710 1.00 0.97 H new ATOM 0 HD13 ILE A 48 -4.390 -4.640 0.759 1.00 0.97 H new ATOM 761 N PRO A 49 -9.475 -7.973 1.047 1.00 0.84 N ATOM 762 CA PRO A 49 -10.930 -7.816 0.841 1.00 0.93 C ATOM 763 C PRO A 49 -11.340 -6.341 0.753 1.00 0.93 C ATOM 764 O PRO A 49 -10.882 -5.513 1.544 1.00 1.08 O ATOM 765 CB PRO A 49 -11.551 -8.501 2.061 1.00 1.07 C ATOM 766 CG PRO A 49 -10.499 -8.447 3.121 1.00 1.06 C ATOM 767 CD PRO A 49 -9.163 -8.443 2.410 1.00 0.92 C ATOM 0 HA PRO A 49 -11.264 -8.253 -0.100 1.00 0.93 H new ATOM 0 HB2 PRO A 49 -12.458 -7.988 2.381 1.00 1.07 H new ATOM 0 HB3 PRO A 49 -11.829 -9.530 1.835 1.00 1.07 H new ATOM 0 HG2 PRO A 49 -10.613 -7.553 3.734 1.00 1.06 H new ATOM 0 HG3 PRO A 49 -10.579 -9.304 3.789 1.00 1.06 H new ATOM 0 HD2 PRO A 49 -8.451 -7.782 2.905 1.00 0.92 H new ATOM 0 HD3 PRO A 49 -8.718 -9.438 2.395 1.00 0.92 H new ATOM 775 N TYR A 50 -12.194 -6.022 -0.224 1.00 0.87 N ATOM 776 CA TYR A 50 -12.663 -4.643 -0.443 1.00 0.91 C ATOM 777 C TYR A 50 -13.877 -4.291 0.435 1.00 1.12 C ATOM 778 O TYR A 50 -14.585 -3.324 0.153 1.00 1.91 O ATOM 779 CB TYR A 50 -12.993 -4.424 -1.931 1.00 0.92 C ATOM 780 CG TYR A 50 -12.990 -2.960 -2.323 1.00 0.94 C ATOM 781 CD1 TYR A 50 -11.839 -2.203 -2.189 1.00 1.02 C ATOM 782 CD2 TYR A 50 -14.143 -2.377 -2.820 1.00 1.13 C ATOM 783 CE1 TYR A 50 -11.843 -0.864 -2.550 1.00 1.13 C ATOM 784 CE2 TYR A 50 -14.146 -1.041 -3.181 1.00 1.24 C ATOM 785 CZ TYR A 50 -12.969 -0.286 -3.032 1.00 1.17 C ATOM 786 OH TYR A 50 -13.007 1.043 -3.409 1.00 1.34 O ATOM 0 H TYR A 50 -12.578 -6.701 -0.881 1.00 0.87 H new ATOM 0 HA TYR A 50 -11.853 -3.974 -0.151 1.00 0.91 H new ATOM 0 HB2 TYR A 50 -12.268 -4.961 -2.542 1.00 0.92 H new ATOM 0 HB3 TYR A 50 -13.972 -4.852 -2.148 1.00 0.92 H new ATOM 0 HD1 TYR A 50 -10.937 -2.655 -1.803 1.00 1.02 H new ATOM 0 HD2 TYR A 50 -15.042 -2.966 -2.926 1.00 1.13 H new ATOM 0 HE1 TYR A 50 -10.942 -0.278 -2.446 1.00 1.13 H new ATOM 0 HE2 TYR A 50 -15.042 -0.583 -3.573 1.00 1.24 H new ATOM 0 HH TYR A 50 -13.640 1.155 -4.149 1.00 1.34 H new ATOM 796 N HIS A 51 -14.084 -5.055 1.515 1.00 1.28 N ATOM 797 CA HIS A 51 -15.177 -4.823 2.484 1.00 1.53 C ATOM 798 C HIS A 51 -16.578 -5.048 1.885 1.00 1.61 C ATOM 799 O HIS A 51 -17.211 -6.073 2.142 1.00 2.07 O ATOM 800 CB HIS A 51 -15.086 -3.400 3.082 1.00 2.01 C ATOM 801 CG HIS A 51 -13.842 -3.162 3.887 1.00 2.54 C ATOM 802 ND1 HIS A 51 -13.826 -3.143 5.257 1.00 3.19 N ATOM 803 CD2 HIS A 51 -12.558 -2.919 3.519 1.00 2.89 C ATOM 804 CE1 HIS A 51 -12.619 -2.907 5.712 1.00 3.87 C ATOM 805 NE2 HIS A 51 -11.812 -2.764 4.674 1.00 3.74 N ATOM 0 H HIS A 51 -13.498 -5.857 1.748 1.00 1.28 H new ATOM 0 HA HIS A 51 -15.043 -5.564 3.272 1.00 1.53 H new ATOM 0 HB2 HIS A 51 -15.129 -2.672 2.272 1.00 2.01 H new ATOM 0 HB3 HIS A 51 -15.956 -3.225 3.714 1.00 2.01 H new ATOM 0 HD2 HIS A 51 -12.186 -2.858 2.507 1.00 2.89 H new ATOM 0 HE1 HIS A 51 -12.334 -2.841 6.752 1.00 3.87 H new ATOM 0 HE2 HIS A 51 -10.811 -2.572 4.717 1.00 3.74 H new ATOM 813 N SER A 52 -17.067 -4.059 1.132 1.00 1.60 N ATOM 814 CA SER A 52 -18.409 -4.075 0.524 1.00 1.96 C ATOM 815 C SER A 52 -18.566 -5.165 -0.545 1.00 1.85 C ATOM 816 O SER A 52 -18.345 -4.921 -1.736 1.00 2.45 O ATOM 817 CB SER A 52 -18.707 -2.694 -0.081 1.00 2.44 C ATOM 818 OG SER A 52 -18.211 -1.656 0.759 1.00 2.65 O ATOM 0 H SER A 52 -16.539 -3.212 0.922 1.00 1.60 H new ATOM 0 HA SER A 52 -19.125 -4.307 1.313 1.00 1.96 H new ATOM 0 HB2 SER A 52 -18.251 -2.618 -1.068 1.00 2.44 H new ATOM 0 HB3 SER A 52 -19.782 -2.576 -0.217 1.00 2.44 H new ATOM 0 HG SER A 52 -18.409 -0.785 0.355 1.00 2.65 H new ATOM 824 N GLU A 53 -18.978 -6.354 -0.098 1.00 1.45 N ATOM 825 CA GLU A 53 -19.216 -7.523 -0.964 1.00 1.37 C ATOM 826 C GLU A 53 -18.030 -7.810 -1.890 1.00 1.08 C ATOM 827 O GLU A 53 -18.022 -7.400 -3.056 1.00 1.24 O ATOM 828 CB GLU A 53 -20.491 -7.325 -1.792 1.00 1.73 C ATOM 829 CG GLU A 53 -21.746 -7.458 -0.921 1.00 2.39 C ATOM 830 CD GLU A 53 -23.001 -7.547 -1.784 1.00 2.88 C ATOM 831 OE1 GLU A 53 -22.912 -8.040 -2.925 1.00 3.46 O ATOM 832 OE2 GLU A 53 -24.082 -7.114 -1.325 1.00 3.23 O ATOM 0 H GLU A 53 -19.160 -6.539 0.888 1.00 1.45 H new ATOM 0 HA GLU A 53 -19.338 -8.386 -0.310 1.00 1.37 H new ATOM 0 HB2 GLU A 53 -20.474 -6.341 -2.261 1.00 1.73 H new ATOM 0 HB3 GLU A 53 -20.524 -8.061 -2.596 1.00 1.73 H new ATOM 0 HG2 GLU A 53 -21.667 -8.347 -0.295 1.00 2.39 H new ATOM 0 HG3 GLU A 53 -21.821 -6.602 -0.251 1.00 2.39 H new ATOM 839 N VAL A 54 -17.039 -8.528 -1.370 1.00 0.84 N ATOM 840 CA VAL A 54 -15.851 -8.885 -2.148 1.00 0.66 C ATOM 841 C VAL A 54 -16.159 -10.050 -3.102 1.00 0.55 C ATOM 842 O VAL A 54 -15.837 -9.965 -4.283 1.00 0.49 O ATOM 843 CB VAL A 54 -14.668 -9.217 -1.216 1.00 0.81 C ATOM 844 CG1 VAL A 54 -13.353 -9.277 -1.995 1.00 0.77 C ATOM 845 CG2 VAL A 54 -14.567 -8.181 -0.093 1.00 1.34 C ATOM 0 H VAL A 54 -17.033 -8.876 -0.411 1.00 0.84 H new ATOM 0 HA VAL A 54 -15.563 -8.026 -2.754 1.00 0.66 H new ATOM 0 HB VAL A 54 -14.851 -10.198 -0.778 1.00 0.81 H new ATOM 0 HG11 VAL A 54 -12.536 -9.513 -1.313 1.00 0.77 H new ATOM 0 HG12 VAL A 54 -13.419 -10.049 -2.762 1.00 0.77 H new ATOM 0 HG13 VAL A 54 -13.165 -8.312 -2.466 1.00 0.77 H new ATOM 0 HG21 VAL A 54 -13.727 -8.429 0.556 1.00 1.34 H new ATOM 0 HG22 VAL A 54 -14.413 -7.192 -0.524 1.00 1.34 H new ATOM 0 HG23 VAL A 54 -15.489 -8.184 0.489 1.00 1.34 H new ATOM 855 N PRO A 55 -16.794 -11.153 -2.622 1.00 0.62 N ATOM 856 CA PRO A 55 -17.127 -12.307 -3.469 1.00 0.59 C ATOM 857 C PRO A 55 -18.530 -12.205 -4.081 1.00 0.58 C ATOM 858 O PRO A 55 -19.513 -11.989 -3.366 1.00 0.83 O ATOM 859 CB PRO A 55 -17.040 -13.478 -2.489 1.00 0.76 C ATOM 860 CG PRO A 55 -17.298 -12.901 -1.126 1.00 0.87 C ATOM 861 CD PRO A 55 -17.257 -11.387 -1.243 1.00 0.83 C ATOM 0 HA PRO A 55 -16.464 -12.397 -4.329 1.00 0.59 H new ATOM 0 HB2 PRO A 55 -17.775 -14.245 -2.733 1.00 0.76 H new ATOM 0 HB3 PRO A 55 -16.059 -13.951 -2.533 1.00 0.76 H new ATOM 0 HG2 PRO A 55 -18.268 -13.228 -0.751 1.00 0.87 H new ATOM 0 HG3 PRO A 55 -16.547 -13.249 -0.416 1.00 0.87 H new ATOM 0 HD2 PRO A 55 -18.239 -10.946 -1.070 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -16.577 -10.948 -0.513 1.00 0.83 H new ATOM 869 N VAL A 56 -18.620 -12.370 -5.399 1.00 0.41 N ATOM 870 CA VAL A 56 -19.896 -12.312 -6.117 1.00 0.43 C ATOM 871 C VAL A 56 -19.957 -13.460 -7.127 1.00 0.42 C ATOM 872 O VAL A 56 -18.979 -13.746 -7.820 1.00 0.43 O ATOM 873 CB VAL A 56 -20.050 -10.952 -6.816 1.00 0.44 C ATOM 874 CG1 VAL A 56 -21.364 -10.883 -7.595 1.00 0.62 C ATOM 875 CG2 VAL A 56 -19.986 -9.809 -5.796 1.00 0.63 C ATOM 0 H VAL A 56 -17.815 -12.547 -6.000 1.00 0.41 H new ATOM 0 HA VAL A 56 -20.720 -12.419 -5.412 1.00 0.43 H new ATOM 0 HB VAL A 56 -19.224 -10.843 -7.519 1.00 0.44 H new ATOM 0 HG11 VAL A 56 -21.449 -9.911 -8.080 1.00 0.62 H new ATOM 0 HG12 VAL A 56 -21.381 -11.668 -8.351 1.00 0.62 H new ATOM 0 HG13 VAL A 56 -22.201 -11.021 -6.910 1.00 0.62 H new ATOM 0 HG21 VAL A 56 -20.097 -8.855 -6.311 1.00 0.63 H new ATOM 0 HG22 VAL A 56 -20.790 -9.925 -5.069 1.00 0.63 H new ATOM 0 HG23 VAL A 56 -19.025 -9.834 -5.281 1.00 0.63 H new ATOM 885 N SER A 57 -21.104 -14.128 -7.192 1.00 0.47 N ATOM 886 CA SER A 57 -21.309 -15.257 -8.088 1.00 0.48 C ATOM 887 C SER A 57 -21.541 -14.802 -9.537 1.00 0.46 C ATOM 888 O SER A 57 -22.043 -13.703 -9.792 1.00 0.59 O ATOM 889 CB SER A 57 -22.504 -16.064 -7.589 1.00 0.61 C ATOM 890 OG SER A 57 -22.498 -16.176 -6.165 1.00 0.91 O ATOM 0 H SER A 57 -21.919 -13.900 -6.623 1.00 0.47 H new ATOM 0 HA SER A 57 -20.409 -15.872 -8.087 1.00 0.48 H new ATOM 0 HB2 SER A 57 -23.429 -15.587 -7.914 1.00 0.61 H new ATOM 0 HB3 SER A 57 -22.485 -17.059 -8.034 1.00 0.61 H new ATOM 0 HG SER A 57 -23.276 -16.696 -5.875 1.00 0.91 H new ATOM 896 N LEU A 58 -21.168 -15.678 -10.470 1.00 0.44 N ATOM 897 CA LEU A 58 -21.309 -15.445 -11.910 1.00 0.49 C ATOM 898 C LEU A 58 -21.955 -16.683 -12.548 1.00 0.60 C ATOM 899 O LEU A 58 -21.437 -17.250 -13.511 1.00 0.89 O ATOM 900 CB LEU A 58 -19.917 -15.172 -12.512 1.00 0.67 C ATOM 901 CG LEU A 58 -19.996 -14.349 -13.803 1.00 0.70 C ATOM 902 CD1 LEU A 58 -20.422 -12.908 -13.508 1.00 0.60 C ATOM 903 CD2 LEU A 58 -18.649 -14.376 -14.526 1.00 0.86 C ATOM 0 H LEU A 58 -20.753 -16.582 -10.245 1.00 0.44 H new ATOM 0 HA LEU A 58 -21.944 -14.580 -12.103 1.00 0.49 H new ATOM 0 HB2 LEU A 58 -19.305 -14.642 -11.782 1.00 0.67 H new ATOM 0 HB3 LEU A 58 -19.419 -16.120 -12.717 1.00 0.67 H new ATOM 0 HG LEU A 58 -20.751 -14.795 -14.451 1.00 0.70 H new ATOM 0 HD11 LEU A 58 -20.471 -12.345 -14.440 1.00 0.60 H new ATOM 0 HD12 LEU A 58 -21.403 -12.909 -13.033 1.00 0.60 H new ATOM 0 HD13 LEU A 58 -19.696 -12.443 -12.841 1.00 0.60 H new ATOM 0 HD21 LEU A 58 -18.716 -13.789 -15.442 1.00 0.86 H new ATOM 0 HD22 LEU A 58 -17.880 -13.953 -13.879 1.00 0.86 H new ATOM 0 HD23 LEU A 58 -18.389 -15.405 -14.773 1.00 0.86 H new ATOM 915 N LYS A 59 -23.085 -17.100 -11.986 1.00 0.70 N ATOM 916 CA LYS A 59 -23.824 -18.274 -12.456 1.00 0.90 C ATOM 917 C LYS A 59 -24.887 -17.859 -13.479 1.00 0.87 C ATOM 918 O LYS A 59 -25.939 -17.343 -13.111 1.00 0.95 O ATOM 919 CB LYS A 59 -24.472 -18.961 -11.246 1.00 1.13 C ATOM 920 CG LYS A 59 -25.104 -20.303 -11.620 1.00 1.41 C ATOM 921 CD LYS A 59 -25.686 -20.998 -10.389 1.00 1.78 C ATOM 922 CE LYS A 59 -27.052 -20.411 -10.005 1.00 2.18 C ATOM 923 NZ LYS A 59 -28.169 -21.087 -10.717 1.00 2.83 N ATOM 0 H LYS A 59 -23.518 -16.634 -11.189 1.00 0.70 H new ATOM 0 HA LYS A 59 -23.144 -18.969 -12.948 1.00 0.90 H new ATOM 0 HB2 LYS A 59 -23.720 -19.117 -10.472 1.00 1.13 H new ATOM 0 HB3 LYS A 59 -25.234 -18.307 -10.823 1.00 1.13 H new ATOM 0 HG2 LYS A 59 -25.890 -20.145 -12.358 1.00 1.41 H new ATOM 0 HG3 LYS A 59 -24.355 -20.945 -12.084 1.00 1.41 H new ATOM 0 HD2 LYS A 59 -25.790 -22.065 -10.587 1.00 1.78 H new ATOM 0 HD3 LYS A 59 -24.996 -20.895 -9.551 1.00 1.78 H new ATOM 0 HE2 LYS A 59 -27.198 -20.506 -8.929 1.00 2.18 H new ATOM 0 HE3 LYS A 59 -27.067 -19.346 -10.236 1.00 2.18 H new ATOM 0 HZ1 LYS A 59 -29.073 -20.661 -10.429 1.00 2.83 H new ATOM 0 HZ2 LYS A 59 -28.045 -20.975 -11.743 1.00 2.83 H new ATOM 0 HZ3 LYS A 59 -28.172 -22.099 -10.477 1.00 2.83 H new ATOM 937 N GLU A 60 -24.597 -18.090 -14.763 1.00 0.89 N ATOM 938 CA GLU A 60 -25.511 -17.747 -15.872 1.00 0.93 C ATOM 939 C GLU A 60 -25.872 -16.253 -15.857 1.00 0.71 C ATOM 940 O GLU A 60 -27.047 -15.887 -15.789 1.00 0.82 O ATOM 941 CB GLU A 60 -26.786 -18.599 -15.811 1.00 1.20 C ATOM 942 CG GLU A 60 -26.469 -20.096 -15.861 1.00 1.43 C ATOM 943 CD GLU A 60 -27.732 -20.898 -16.143 1.00 1.80 C ATOM 944 OE1 GLU A 60 -28.838 -20.406 -15.832 1.00 2.04 O ATOM 945 OE2 GLU A 60 -27.628 -22.020 -16.674 1.00 2.33 O ATOM 0 H GLU A 60 -23.724 -18.520 -15.069 1.00 0.89 H new ATOM 0 HA GLU A 60 -24.990 -17.962 -16.805 1.00 0.93 H new ATOM 0 HB2 GLU A 60 -27.331 -18.373 -14.895 1.00 1.20 H new ATOM 0 HB3 GLU A 60 -27.439 -18.337 -16.644 1.00 1.20 H new ATOM 0 HG2 GLU A 60 -25.727 -20.291 -16.635 1.00 1.43 H new ATOM 0 HG3 GLU A 60 -26.033 -20.414 -14.914 1.00 1.43 H new ATOM 952 N ALA A 61 -24.854 -15.398 -15.924 1.00 0.51 N ATOM 953 CA ALA A 61 -25.053 -13.947 -15.921 1.00 0.35 C ATOM 954 C ALA A 61 -25.374 -13.453 -17.332 1.00 0.35 C ATOM 955 O ALA A 61 -24.700 -13.827 -18.297 1.00 0.43 O ATOM 956 CB ALA A 61 -23.798 -13.248 -15.391 1.00 0.31 C ATOM 0 H ALA A 61 -23.877 -15.685 -15.981 1.00 0.51 H new ATOM 0 HA ALA A 61 -25.893 -13.709 -15.269 1.00 0.35 H new ATOM 0 HB1 ALA A 61 -23.954 -12.169 -15.392 1.00 0.31 H new ATOM 0 HB2 ALA A 61 -23.596 -13.584 -14.374 1.00 0.31 H new ATOM 0 HB3 ALA A 61 -22.949 -13.492 -16.029 1.00 0.31 H new ATOM 962 N ILE A 62 -26.397 -12.605 -17.443 1.00 0.34 N ATOM 963 CA ILE A 62 -26.806 -12.041 -18.732 1.00 0.37 C ATOM 964 C ILE A 62 -25.982 -10.780 -19.003 1.00 0.31 C ATOM 965 O ILE A 62 -25.868 -9.905 -18.138 1.00 0.31 O ATOM 966 CB ILE A 62 -28.313 -11.721 -18.738 1.00 0.46 C ATOM 967 CG1 ILE A 62 -29.122 -12.935 -18.258 1.00 0.53 C ATOM 968 CG2 ILE A 62 -28.769 -11.300 -20.141 1.00 0.57 C ATOM 969 CD1 ILE A 62 -30.622 -12.642 -18.248 1.00 1.27 C ATOM 0 H ILE A 62 -26.960 -12.292 -16.653 1.00 0.34 H new ATOM 0 HA ILE A 62 -26.625 -12.771 -19.521 1.00 0.37 H new ATOM 0 HB ILE A 62 -28.490 -10.892 -18.053 1.00 0.46 H new ATOM 0 HG12 ILE A 62 -28.921 -13.787 -18.908 1.00 0.53 H new ATOM 0 HG13 ILE A 62 -28.799 -13.215 -17.256 1.00 0.53 H new ATOM 0 HG21 ILE A 62 -29.836 -11.078 -20.125 1.00 0.57 H new ATOM 0 HG22 ILE A 62 -28.218 -10.412 -20.451 1.00 0.57 H new ATOM 0 HG23 ILE A 62 -28.577 -12.110 -20.844 1.00 0.57 H new ATOM 0 HD11 ILE A 62 -31.163 -13.523 -17.903 1.00 1.27 H new ATOM 0 HD12 ILE A 62 -30.825 -11.806 -17.578 1.00 1.27 H new ATOM 0 HD13 ILE A 62 -30.950 -12.387 -19.256 1.00 1.27 H new ATOM 981 N CYS A 63 -25.391 -10.705 -20.191 1.00 0.34 N ATOM 982 CA CYS A 63 -24.545 -9.575 -20.574 1.00 0.33 C ATOM 983 C CYS A 63 -25.093 -8.884 -21.830 1.00 0.34 C ATOM 984 O CYS A 63 -25.282 -9.520 -22.869 1.00 0.52 O ATOM 985 CB CYS A 63 -23.110 -10.073 -20.809 1.00 0.37 C ATOM 986 SG CYS A 63 -21.867 -8.846 -20.384 1.00 0.53 S ATOM 0 H CYS A 63 -25.483 -11.420 -20.913 1.00 0.34 H new ATOM 0 HA CYS A 63 -24.543 -8.841 -19.768 1.00 0.33 H new ATOM 0 HB2 CYS A 63 -22.942 -10.973 -20.218 1.00 0.37 H new ATOM 0 HB3 CYS A 63 -22.994 -10.353 -21.856 1.00 0.37 H new ATOM 0 HG CYS A 63 -20.724 -9.435 -20.193 1.00 0.53 H new ATOM 992 N GLU A 64 -25.320 -7.571 -21.721 1.00 0.26 N ATOM 993 CA GLU A 64 -25.820 -6.745 -22.829 1.00 0.29 C ATOM 994 C GLU A 64 -24.743 -5.731 -23.218 1.00 0.24 C ATOM 995 O GLU A 64 -23.978 -5.280 -22.364 1.00 0.36 O ATOM 996 CB GLU A 64 -27.099 -6.002 -22.414 1.00 0.33 C ATOM 997 CG GLU A 64 -28.189 -6.962 -21.928 1.00 0.81 C ATOM 998 CD GLU A 64 -29.457 -6.189 -21.583 1.00 1.41 C ATOM 999 OE1 GLU A 64 -30.118 -5.673 -22.509 1.00 1.83 O ATOM 1000 OE2 GLU A 64 -29.790 -6.088 -20.385 1.00 1.96 O ATOM 0 H GLU A 64 -25.162 -7.048 -20.860 1.00 0.26 H new ATOM 0 HA GLU A 64 -26.053 -7.389 -23.677 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -26.864 -5.290 -21.623 1.00 0.33 H new ATOM 0 HB3 GLU A 64 -27.474 -5.426 -23.260 1.00 0.33 H new ATOM 0 HG2 GLU A 64 -28.404 -7.701 -22.700 1.00 0.81 H new ATOM 0 HG3 GLU A 64 -27.838 -7.509 -21.053 1.00 0.81 H new ATOM 1007 N VAL A 65 -24.688 -5.374 -24.494 1.00 0.34 N ATOM 1008 CA VAL A 65 -23.702 -4.410 -24.999 1.00 0.32 C ATOM 1009 C VAL A 65 -24.310 -3.005 -25.083 1.00 0.31 C ATOM 1010 O VAL A 65 -25.425 -2.825 -25.579 1.00 0.43 O ATOM 1011 CB VAL A 65 -23.194 -4.846 -26.387 1.00 0.45 C ATOM 1012 CG1 VAL A 65 -22.079 -3.911 -26.874 1.00 0.34 C ATOM 1013 CG2 VAL A 65 -22.695 -6.296 -26.361 1.00 0.39 C ATOM 0 H VAL A 65 -25.318 -5.738 -25.209 1.00 0.34 H new ATOM 0 HA VAL A 65 -22.863 -4.384 -24.304 1.00 0.32 H new ATOM 0 HB VAL A 65 -24.031 -4.784 -27.083 1.00 0.45 H new ATOM 0 HG11 VAL A 65 -21.734 -4.236 -27.856 1.00 0.34 H new ATOM 0 HG12 VAL A 65 -22.462 -2.893 -26.943 1.00 0.34 H new ATOM 0 HG13 VAL A 65 -21.247 -3.939 -26.170 1.00 0.34 H new ATOM 0 HG21 VAL A 65 -22.342 -6.577 -27.353 1.00 0.39 H new ATOM 0 HG22 VAL A 65 -21.877 -6.387 -25.646 1.00 0.39 H new ATOM 0 HG23 VAL A 65 -23.510 -6.956 -26.065 1.00 0.39 H new ATOM 1023 N ALA A 66 -23.549 -2.018 -24.611 1.00 0.25 N ATOM 1024 CA ALA A 66 -23.948 -0.606 -24.627 1.00 0.31 C ATOM 1025 C ALA A 66 -22.816 0.202 -25.272 1.00 0.34 C ATOM 1026 O ALA A 66 -22.009 0.830 -24.584 1.00 0.36 O ATOM 1027 CB ALA A 66 -24.229 -0.119 -23.199 1.00 0.36 C ATOM 0 H ALA A 66 -22.628 -2.175 -24.202 1.00 0.25 H new ATOM 0 HA ALA A 66 -24.864 -0.475 -25.203 1.00 0.31 H new ATOM 0 HB1 ALA A 66 -24.524 0.930 -23.224 1.00 0.36 H new ATOM 0 HB2 ALA A 66 -25.033 -0.712 -22.764 1.00 0.36 H new ATOM 0 HB3 ALA A 66 -23.329 -0.229 -22.594 1.00 0.36 H new ATOM 1033 N LEU A 67 -22.751 0.147 -26.605 1.00 0.55 N ATOM 1034 CA LEU A 67 -21.702 0.829 -27.387 1.00 0.71 C ATOM 1035 C LEU A 67 -21.915 2.351 -27.474 1.00 0.89 C ATOM 1036 O LEU A 67 -21.162 3.044 -28.166 1.00 1.22 O ATOM 1037 CB LEU A 67 -21.646 0.223 -28.804 1.00 0.76 C ATOM 1038 CG LEU A 67 -20.220 -0.182 -29.198 1.00 0.99 C ATOM 1039 CD1 LEU A 67 -19.961 -1.644 -28.835 1.00 1.38 C ATOM 1040 CD2 LEU A 67 -19.992 0.037 -30.691 1.00 1.39 C ATOM 0 H LEU A 67 -23.420 -0.369 -27.177 1.00 0.55 H new ATOM 0 HA LEU A 67 -20.756 0.674 -26.869 1.00 0.71 H new ATOM 0 HB2 LEU A 67 -22.297 -0.650 -28.851 1.00 0.76 H new ATOM 0 HB3 LEU A 67 -22.030 0.946 -29.523 1.00 0.76 H new ATOM 0 HG LEU A 67 -19.522 0.446 -28.645 1.00 0.99 H new ATOM 0 HD11 LEU A 67 -18.945 -1.915 -29.121 1.00 1.38 H new ATOM 0 HD12 LEU A 67 -20.084 -1.779 -27.760 1.00 1.38 H new ATOM 0 HD13 LEU A 67 -20.669 -2.281 -29.364 1.00 1.38 H new ATOM 0 HD21 LEU A 67 -18.975 -0.256 -30.951 1.00 1.39 H new ATOM 0 HD22 LEU A 67 -20.700 -0.566 -31.259 1.00 1.39 H new ATOM 0 HD23 LEU A 67 -20.138 1.090 -30.931 1.00 1.39 H new ATOM 1052 N ASP A 68 -22.933 2.874 -26.788 1.00 0.90 N ATOM 1053 CA ASP A 68 -23.221 4.314 -26.806 1.00 1.14 C ATOM 1054 C ASP A 68 -24.101 4.705 -25.612 1.00 0.87 C ATOM 1055 O ASP A 68 -25.100 5.406 -25.769 1.00 1.00 O ATOM 1056 CB ASP A 68 -23.878 4.728 -28.147 1.00 1.59 C ATOM 1057 CG ASP A 68 -25.275 4.125 -28.340 1.00 2.35 C ATOM 1058 OD1 ASP A 68 -25.428 2.891 -28.224 1.00 3.07 O ATOM 1059 OD2 ASP A 68 -26.223 4.891 -28.628 1.00 2.62 O ATOM 0 H ASP A 68 -23.572 2.325 -26.213 1.00 0.90 H new ATOM 0 HA ASP A 68 -22.278 4.853 -26.718 1.00 1.14 H new ATOM 0 HB2 ASP A 68 -23.948 5.815 -28.191 1.00 1.59 H new ATOM 0 HB3 ASP A 68 -23.236 4.416 -28.971 1.00 1.59 H new ATOM 1064 N TYR A 69 -23.712 4.259 -24.410 1.00 0.81 N ATOM 1065 CA TYR A 69 -24.461 4.560 -23.170 1.00 0.69 C ATOM 1066 C TYR A 69 -24.381 6.055 -22.795 1.00 0.97 C ATOM 1067 O TYR A 69 -24.969 6.496 -21.805 1.00 1.47 O ATOM 1068 CB TYR A 69 -23.935 3.686 -22.022 1.00 0.58 C ATOM 1069 CG TYR A 69 -24.766 3.789 -20.762 1.00 0.53 C ATOM 1070 CD1 TYR A 69 -26.127 3.546 -20.810 1.00 0.72 C ATOM 1071 CD2 TYR A 69 -24.170 4.128 -19.556 1.00 0.55 C ATOM 1072 CE1 TYR A 69 -26.891 3.649 -19.661 1.00 0.85 C ATOM 1073 CE2 TYR A 69 -24.938 4.228 -18.406 1.00 0.64 C ATOM 1074 CZ TYR A 69 -26.294 3.986 -18.463 1.00 0.76 C ATOM 1075 OH TYR A 69 -27.056 4.087 -17.318 1.00 0.97 O ATOM 0 H TYR A 69 -22.881 3.686 -24.264 1.00 0.81 H new ATOM 0 HA TYR A 69 -25.512 4.331 -23.348 1.00 0.69 H new ATOM 0 HB2 TYR A 69 -23.910 2.646 -22.348 1.00 0.58 H new ATOM 0 HB3 TYR A 69 -22.908 3.974 -21.796 1.00 0.58 H new ATOM 0 HD1 TYR A 69 -26.594 3.276 -21.746 1.00 0.72 H new ATOM 0 HD2 TYR A 69 -23.107 4.314 -19.513 1.00 0.55 H new ATOM 0 HE1 TYR A 69 -27.955 3.466 -19.702 1.00 0.85 H new ATOM 0 HE2 TYR A 69 -24.475 4.495 -17.468 1.00 0.64 H new ATOM 0 HH TYR A 69 -27.817 3.473 -17.377 1.00 0.97 H new ATOM 1173 N HIS A 74 -17.059 2.086 -24.910 1.00 0.67 N ATOM 1174 CA HIS A 74 -17.589 0.721 -24.875 1.00 0.38 C ATOM 1175 C HIS A 74 -17.999 0.327 -23.454 1.00 0.30 C ATOM 1176 O HIS A 74 -17.151 0.077 -22.593 1.00 0.37 O ATOM 1177 CB HIS A 74 -16.528 -0.249 -25.412 1.00 0.64 C ATOM 1178 CG HIS A 74 -16.364 -0.157 -26.900 1.00 0.91 C ATOM 1179 ND1 HIS A 74 -15.883 0.961 -27.529 1.00 1.30 N ATOM 1180 CD2 HIS A 74 -16.645 -1.030 -27.900 1.00 1.38 C ATOM 1181 CE1 HIS A 74 -15.867 0.799 -28.826 1.00 1.47 C ATOM 1182 NE2 HIS A 74 -16.329 -0.413 -29.094 1.00 1.53 N ATOM 0 HA HIS A 74 -18.479 0.673 -25.503 1.00 0.38 H new ATOM 0 HB2 HIS A 74 -15.573 -0.039 -24.931 1.00 0.64 H new ATOM 0 HB3 HIS A 74 -16.803 -1.269 -25.143 1.00 0.64 H new ATOM 0 HD2 HIS A 74 -17.044 -2.027 -27.783 1.00 1.38 H new ATOM 0 HE1 HIS A 74 -15.535 1.526 -29.552 1.00 1.47 H new ATOM 0 HE2 HIS A 74 -16.433 -0.821 -30.023 1.00 1.53 H new ATOM 1190 N VAL A 75 -19.311 0.259 -23.233 1.00 0.26 N ATOM 1191 CA VAL A 75 -19.889 -0.124 -21.943 1.00 0.23 C ATOM 1192 C VAL A 75 -20.752 -1.376 -22.148 1.00 0.22 C ATOM 1193 O VAL A 75 -21.265 -1.607 -23.243 1.00 0.26 O ATOM 1194 CB VAL A 75 -20.754 1.033 -21.387 1.00 0.25 C ATOM 1195 CG1 VAL A 75 -21.368 0.658 -20.034 1.00 0.28 C ATOM 1196 CG2 VAL A 75 -19.948 2.333 -21.265 1.00 0.31 C ATOM 0 H VAL A 75 -20.008 0.469 -23.947 1.00 0.26 H new ATOM 0 HA VAL A 75 -19.095 -0.335 -21.227 1.00 0.23 H new ATOM 0 HB VAL A 75 -21.561 1.204 -22.099 1.00 0.25 H new ATOM 0 HG11 VAL A 75 -21.971 1.488 -19.665 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -21.998 -0.224 -20.152 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -20.573 0.443 -19.321 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -20.588 3.122 -20.871 1.00 0.31 H new ATOM 0 HG22 VAL A 75 -19.107 2.178 -20.590 1.00 0.31 H new ATOM 0 HG23 VAL A 75 -19.576 2.624 -22.247 1.00 0.31 H new ATOM 1206 N PHE A 76 -20.928 -2.175 -21.099 1.00 0.22 N ATOM 1207 CA PHE A 76 -21.759 -3.380 -21.177 1.00 0.23 C ATOM 1208 C PHE A 76 -22.503 -3.579 -19.861 1.00 0.22 C ATOM 1209 O PHE A 76 -21.960 -3.348 -18.780 1.00 0.27 O ATOM 1210 CB PHE A 76 -20.935 -4.625 -21.555 1.00 0.26 C ATOM 1211 CG PHE A 76 -19.883 -5.043 -20.544 1.00 0.24 C ATOM 1212 CD1 PHE A 76 -18.597 -4.530 -20.624 1.00 0.26 C ATOM 1213 CD2 PHE A 76 -20.196 -5.964 -19.553 1.00 0.27 C ATOM 1214 CE1 PHE A 76 -17.630 -4.935 -19.718 1.00 0.28 C ATOM 1215 CE2 PHE A 76 -19.228 -6.367 -18.645 1.00 0.29 C ATOM 1216 CZ PHE A 76 -17.944 -5.851 -18.727 1.00 0.29 C ATOM 0 H PHE A 76 -20.508 -2.013 -20.184 1.00 0.22 H new ATOM 0 HA PHE A 76 -22.489 -3.241 -21.974 1.00 0.23 H new ATOM 0 HB2 PHE A 76 -21.619 -5.460 -21.708 1.00 0.26 H new ATOM 0 HB3 PHE A 76 -20.443 -4.438 -22.509 1.00 0.26 H new ATOM 0 HD1 PHE A 76 -18.349 -3.814 -21.393 1.00 0.26 H new ATOM 0 HD2 PHE A 76 -21.196 -6.368 -19.489 1.00 0.27 H new ATOM 0 HE1 PHE A 76 -16.629 -4.536 -19.784 1.00 0.28 H new ATOM 0 HE2 PHE A 76 -19.475 -7.082 -17.874 1.00 0.29 H new ATOM 0 HZ PHE A 76 -17.190 -6.162 -18.020 1.00 0.29 H new ATOM 1226 N LYS A 77 -23.759 -3.997 -19.962 1.00 0.23 N ATOM 1227 CA LYS A 77 -24.605 -4.227 -18.791 1.00 0.28 C ATOM 1228 C LYS A 77 -24.513 -5.691 -18.388 1.00 0.31 C ATOM 1229 O LYS A 77 -24.748 -6.579 -19.205 1.00 0.58 O ATOM 1230 CB LYS A 77 -26.060 -3.845 -19.102 1.00 0.36 C ATOM 1231 CG LYS A 77 -26.143 -2.627 -20.033 1.00 1.20 C ATOM 1232 CD LYS A 77 -27.480 -1.893 -19.887 1.00 1.33 C ATOM 1233 CE LYS A 77 -28.606 -2.634 -20.613 1.00 1.76 C ATOM 1234 NZ LYS A 77 -29.518 -3.333 -19.663 1.00 1.95 N ATOM 0 H LYS A 77 -24.220 -4.186 -20.852 1.00 0.23 H new ATOM 0 HA LYS A 77 -24.260 -3.605 -17.965 1.00 0.28 H new ATOM 0 HB2 LYS A 77 -26.567 -4.692 -19.565 1.00 0.36 H new ATOM 0 HB3 LYS A 77 -26.586 -3.628 -18.172 1.00 0.36 H new ATOM 0 HG2 LYS A 77 -25.325 -1.942 -19.810 1.00 1.20 H new ATOM 0 HG3 LYS A 77 -26.016 -2.949 -21.066 1.00 1.20 H new ATOM 0 HD2 LYS A 77 -27.729 -1.794 -18.830 1.00 1.33 H new ATOM 0 HD3 LYS A 77 -27.389 -0.884 -20.288 1.00 1.33 H new ATOM 0 HE2 LYS A 77 -29.179 -1.926 -21.211 1.00 1.76 H new ATOM 0 HE3 LYS A 77 -28.176 -3.360 -21.303 1.00 1.76 H new ATOM 0 HZ1 LYS A 77 -29.512 -4.354 -19.863 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 -29.195 -3.170 -18.688 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 -30.484 -2.964 -19.774 1.00 1.95 H new ATOM 1248 N LEU A 78 -24.153 -5.927 -17.134 1.00 0.23 N ATOM 1249 CA LEU A 78 -23.998 -7.273 -16.596 1.00 0.24 C ATOM 1250 C LEU A 78 -25.039 -7.520 -15.504 1.00 0.29 C ATOM 1251 O LEU A 78 -24.970 -6.935 -14.418 1.00 0.36 O ATOM 1252 CB LEU A 78 -22.579 -7.427 -16.038 1.00 0.30 C ATOM 1253 CG LEU A 78 -22.247 -8.862 -15.640 1.00 0.48 C ATOM 1254 CD1 LEU A 78 -22.889 -9.886 -16.578 1.00 0.30 C ATOM 1255 CD2 LEU A 78 -20.739 -9.064 -15.605 1.00 0.86 C ATOM 0 H LEU A 78 -23.959 -5.188 -16.458 1.00 0.23 H new ATOM 0 HA LEU A 78 -24.152 -8.009 -17.385 1.00 0.24 H new ATOM 0 HB2 LEU A 78 -21.862 -7.088 -16.786 1.00 0.30 H new ATOM 0 HB3 LEU A 78 -22.464 -6.779 -15.169 1.00 0.30 H new ATOM 0 HG LEU A 78 -22.661 -9.024 -14.645 1.00 0.48 H new ATOM 0 HD11 LEU A 78 -22.624 -10.892 -16.254 1.00 0.30 H new ATOM 0 HD12 LEU A 78 -23.973 -9.771 -16.555 1.00 0.30 H new ATOM 0 HD13 LEU A 78 -22.528 -9.725 -17.594 1.00 0.30 H new ATOM 0 HD21 LEU A 78 -20.516 -10.092 -15.320 1.00 0.86 H new ATOM 0 HD22 LEU A 78 -20.322 -8.863 -16.592 1.00 0.86 H new ATOM 0 HD23 LEU A 78 -20.297 -8.382 -14.878 1.00 0.86 H new ATOM 1267 N ARG A 79 -26.000 -8.390 -15.805 1.00 0.31 N ATOM 1268 CA ARG A 79 -27.072 -8.745 -14.873 1.00 0.40 C ATOM 1269 C ARG A 79 -26.784 -10.108 -14.247 1.00 0.45 C ATOM 1270 O ARG A 79 -26.630 -11.108 -14.954 1.00 0.51 O ATOM 1271 CB ARG A 79 -28.414 -8.784 -15.615 1.00 0.50 C ATOM 1272 CG ARG A 79 -29.598 -9.059 -14.670 1.00 1.11 C ATOM 1273 CD ARG A 79 -30.716 -9.814 -15.385 1.00 1.51 C ATOM 1274 NE ARG A 79 -31.173 -9.049 -16.544 1.00 1.91 N ATOM 1275 CZ ARG A 79 -32.357 -8.465 -16.562 1.00 2.46 C ATOM 1276 NH1 ARG A 79 -33.453 -9.208 -16.537 1.00 2.93 N ATOM 1277 NH2 ARG A 79 -32.435 -7.145 -16.605 1.00 2.99 N ATOM 0 H ARG A 79 -26.059 -8.870 -16.703 1.00 0.31 H new ATOM 0 HA ARG A 79 -27.123 -7.995 -14.084 1.00 0.40 H new ATOM 0 HB2 ARG A 79 -28.572 -7.834 -16.125 1.00 0.50 H new ATOM 0 HB3 ARG A 79 -28.379 -9.556 -16.384 1.00 0.50 H new ATOM 0 HG2 ARG A 79 -29.255 -9.639 -13.813 1.00 1.11 H new ATOM 0 HG3 ARG A 79 -29.983 -8.116 -14.283 1.00 1.11 H new ATOM 0 HD2 ARG A 79 -30.359 -10.794 -15.703 1.00 1.51 H new ATOM 0 HD3 ARG A 79 -31.547 -9.984 -14.700 1.00 1.51 H new ATOM 0 HE ARG A 79 -30.563 -8.965 -17.357 1.00 1.91 H new ATOM 0 HH11 ARG A 79 -33.379 -10.225 -16.504 1.00 2.93 H new ATOM 0 HH12 ARG A 79 -34.371 -8.763 -16.551 1.00 2.93 H new ATOM 0 HH21 ARG A 79 -31.583 -6.584 -16.624 1.00 2.99 H new ATOM 0 HH22 ARG A 79 -33.347 -6.688 -16.619 1.00 2.99 H new ATOM 1291 N LEU A 80 -26.730 -10.145 -12.918 1.00 0.54 N ATOM 1292 CA LEU A 80 -26.476 -11.383 -12.178 1.00 0.68 C ATOM 1293 C LEU A 80 -27.781 -12.181 -12.014 1.00 0.84 C ATOM 1294 O LEU A 80 -28.880 -11.628 -12.134 1.00 1.06 O ATOM 1295 CB LEU A 80 -25.864 -11.046 -10.811 1.00 0.82 C ATOM 1296 CG LEU A 80 -24.532 -10.303 -10.952 1.00 0.82 C ATOM 1297 CD1 LEU A 80 -23.868 -10.148 -9.584 1.00 1.06 C ATOM 1298 CD2 LEU A 80 -23.595 -11.024 -11.926 1.00 1.26 C ATOM 0 H LEU A 80 -26.860 -9.325 -12.325 1.00 0.54 H new ATOM 0 HA LEU A 80 -25.771 -12.001 -12.734 1.00 0.68 H new ATOM 0 HB2 LEU A 80 -26.563 -10.434 -10.241 1.00 0.82 H new ATOM 0 HB3 LEU A 80 -25.710 -11.965 -10.245 1.00 0.82 H new ATOM 0 HG LEU A 80 -24.737 -9.313 -11.359 1.00 0.82 H new ATOM 0 HD11 LEU A 80 -22.922 -9.618 -9.697 1.00 1.06 H new ATOM 0 HD12 LEU A 80 -24.524 -9.582 -8.923 1.00 1.06 H new ATOM 0 HD13 LEU A 80 -23.684 -11.133 -9.155 1.00 1.06 H new ATOM 0 HD21 LEU A 80 -22.658 -10.473 -12.005 1.00 1.26 H new ATOM 0 HD22 LEU A 80 -23.394 -12.031 -11.560 1.00 1.26 H new ATOM 0 HD23 LEU A 80 -24.065 -11.082 -12.908 1.00 1.26 H new ATOM 1310 N SER A 81 -27.653 -13.482 -11.754 1.00 1.01 N ATOM 1311 CA SER A 81 -28.806 -14.386 -11.593 1.00 1.23 C ATOM 1312 C SER A 81 -29.625 -14.085 -10.322 1.00 1.40 C ATOM 1313 O SER A 81 -30.737 -14.592 -10.170 1.00 1.92 O ATOM 1314 CB SER A 81 -28.313 -15.842 -11.582 1.00 1.52 C ATOM 1315 OG SER A 81 -26.940 -15.920 -11.203 1.00 2.18 O ATOM 0 H SER A 81 -26.750 -13.945 -11.648 1.00 1.01 H new ATOM 0 HA SER A 81 -29.475 -14.224 -12.438 1.00 1.23 H new ATOM 0 HB2 SER A 81 -28.918 -16.428 -10.890 1.00 1.52 H new ATOM 0 HB3 SER A 81 -28.445 -16.281 -12.571 1.00 1.52 H new ATOM 0 HG SER A 81 -26.535 -16.717 -11.604 1.00 2.18 H new ATOM 1321 N ASP A 82 -29.087 -13.255 -9.421 1.00 1.33 N ATOM 1322 CA ASP A 82 -29.792 -12.891 -8.180 1.00 1.76 C ATOM 1323 C ASP A 82 -30.747 -11.715 -8.427 1.00 1.31 C ATOM 1324 O ASP A 82 -31.745 -11.558 -7.723 1.00 1.74 O ATOM 1325 CB ASP A 82 -28.786 -12.546 -7.062 1.00 2.76 C ATOM 1326 CG ASP A 82 -27.901 -11.361 -7.441 1.00 3.46 C ATOM 1327 OD1 ASP A 82 -28.333 -10.205 -7.256 1.00 3.98 O ATOM 1328 OD2 ASP A 82 -26.770 -11.587 -7.911 1.00 3.77 O ATOM 0 H ASP A 82 -28.169 -12.822 -9.525 1.00 1.33 H new ATOM 0 HA ASP A 82 -30.380 -13.750 -7.857 1.00 1.76 H new ATOM 0 HB2 ASP A 82 -29.327 -12.316 -6.144 1.00 2.76 H new ATOM 0 HB3 ASP A 82 -28.161 -13.415 -6.855 1.00 2.76 H new ATOM 1333 N GLY A 83 -30.429 -10.900 -9.436 1.00 1.09 N ATOM 1334 CA GLY A 83 -31.239 -9.736 -9.802 1.00 1.53 C ATOM 1335 C GLY A 83 -30.389 -8.468 -9.894 1.00 1.31 C ATOM 1336 O GLY A 83 -30.849 -7.455 -10.461 1.00 1.88 O ATOM 0 H GLY A 83 -29.604 -11.028 -10.021 1.00 1.09 H new ATOM 0 HA2 GLY A 83 -31.728 -9.918 -10.759 1.00 1.53 H new ATOM 0 HA3 GLY A 83 -32.028 -9.594 -9.063 1.00 1.53 H new ATOM 1340 N ASN A 84 -29.155 -8.518 -9.331 1.00 0.93 N ATOM 1341 CA ASN A 84 -28.241 -7.360 -9.338 1.00 0.71 C ATOM 1342 C ASN A 84 -27.872 -6.973 -10.776 1.00 0.62 C ATOM 1343 O ASN A 84 -27.445 -7.820 -11.565 1.00 0.65 O ATOM 1344 CB ASN A 84 -26.959 -7.672 -8.544 1.00 0.84 C ATOM 1345 CG ASN A 84 -27.134 -7.400 -7.041 1.00 1.02 C ATOM 1346 OD1 ASN A 84 -27.919 -6.542 -6.632 1.00 1.73 O ATOM 1347 ND2 ASN A 84 -26.394 -8.131 -6.217 1.00 1.32 N ATOM 0 H ASN A 84 -28.777 -9.346 -8.870 1.00 0.93 H new ATOM 0 HA ASN A 84 -28.756 -6.524 -8.864 1.00 0.71 H new ATOM 0 HB2 ASN A 84 -26.684 -8.716 -8.694 1.00 0.84 H new ATOM 0 HB3 ASN A 84 -26.138 -7.068 -8.929 1.00 0.84 H new ATOM 0 HD21 ASN A 84 -26.464 -7.992 -5.209 1.00 1.32 H new ATOM 0 HD22 ASN A 84 -25.755 -8.832 -6.592 1.00 1.32 H new ATOM 1354 N GLU A 85 -28.046 -5.690 -11.100 1.00 0.59 N ATOM 1355 CA GLU A 85 -27.750 -5.154 -12.433 1.00 0.55 C ATOM 1356 C GLU A 85 -26.668 -4.074 -12.337 1.00 0.47 C ATOM 1357 O GLU A 85 -26.896 -3.004 -11.761 1.00 0.60 O ATOM 1358 CB GLU A 85 -29.037 -4.572 -13.042 1.00 0.70 C ATOM 1359 CG GLU A 85 -29.838 -5.645 -13.786 1.00 1.16 C ATOM 1360 CD GLU A 85 -30.948 -5.017 -14.622 1.00 1.18 C ATOM 1361 OE1 GLU A 85 -32.054 -4.795 -14.086 1.00 1.39 O ATOM 1362 OE2 GLU A 85 -30.721 -4.753 -15.821 1.00 1.43 O ATOM 0 H GLU A 85 -28.397 -4.991 -10.445 1.00 0.59 H new ATOM 0 HA GLU A 85 -27.380 -5.954 -13.074 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -29.651 -4.139 -12.253 1.00 0.70 H new ATOM 0 HB3 GLU A 85 -28.784 -3.764 -13.728 1.00 0.70 H new ATOM 0 HG2 GLU A 85 -29.172 -6.219 -14.431 1.00 1.16 H new ATOM 0 HG3 GLU A 85 -30.269 -6.344 -13.070 1.00 1.16 H new ATOM 1369 N TYR A 86 -25.492 -4.357 -12.905 1.00 0.33 N ATOM 1370 CA TYR A 86 -24.362 -3.419 -12.895 1.00 0.31 C ATOM 1371 C TYR A 86 -23.874 -3.147 -14.320 1.00 0.29 C ATOM 1372 O TYR A 86 -23.843 -4.051 -15.155 1.00 0.40 O ATOM 1373 CB TYR A 86 -23.174 -3.994 -12.093 1.00 0.37 C ATOM 1374 CG TYR A 86 -23.495 -4.521 -10.704 1.00 0.41 C ATOM 1375 CD1 TYR A 86 -24.286 -3.764 -9.850 1.00 0.57 C ATOM 1376 CD2 TYR A 86 -23.046 -5.766 -10.291 1.00 0.53 C ATOM 1377 CE1 TYR A 86 -24.626 -4.251 -8.600 1.00 0.67 C ATOM 1378 CE2 TYR A 86 -23.380 -6.245 -9.036 1.00 0.62 C ATOM 1379 CZ TYR A 86 -23.986 -5.474 -8.151 1.00 0.63 C ATOM 1380 OH TYR A 86 -24.521 -5.972 -6.961 1.00 0.77 O ATOM 0 H TYR A 86 -25.295 -5.237 -13.382 1.00 0.33 H new ATOM 0 HA TYR A 86 -24.714 -2.497 -12.432 1.00 0.31 H new ATOM 0 HB2 TYR A 86 -22.729 -4.803 -12.672 1.00 0.37 H new ATOM 0 HB3 TYR A 86 -22.416 -3.216 -11.998 1.00 0.37 H new ATOM 0 HD1 TYR A 86 -24.637 -2.792 -10.162 1.00 0.57 H new ATOM 0 HD2 TYR A 86 -22.434 -6.364 -10.950 1.00 0.53 H new ATOM 0 HE1 TYR A 86 -25.345 -3.737 -7.978 1.00 0.67 H new ATOM 0 HE2 TYR A 86 -23.141 -7.266 -8.776 1.00 0.62 H new ATOM 0 HH TYR A 86 -24.051 -6.795 -6.710 1.00 0.77 H new ATOM 1390 N LEU A 87 -23.441 -1.909 -14.574 1.00 0.24 N ATOM 1391 CA LEU A 87 -22.888 -1.518 -15.875 1.00 0.23 C ATOM 1392 C LEU A 87 -21.368 -1.506 -15.756 1.00 0.22 C ATOM 1393 O LEU A 87 -20.825 -0.893 -14.832 1.00 0.32 O ATOM 1394 CB LEU A 87 -23.365 -0.123 -16.313 1.00 0.26 C ATOM 1395 CG LEU A 87 -24.877 0.071 -16.173 1.00 0.34 C ATOM 1396 CD1 LEU A 87 -25.314 1.349 -16.890 1.00 0.35 C ATOM 1397 CD2 LEU A 87 -25.652 -1.131 -16.716 1.00 0.38 C ATOM 0 H LEU A 87 -23.463 -1.154 -13.889 1.00 0.24 H new ATOM 0 HA LEU A 87 -23.229 -2.232 -16.624 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -22.852 0.632 -15.718 1.00 0.26 H new ATOM 0 HB3 LEU A 87 -23.079 0.042 -17.352 1.00 0.26 H new ATOM 0 HG LEU A 87 -25.104 0.160 -15.111 1.00 0.34 H new ATOM 0 HD11 LEU A 87 -26.391 1.476 -16.783 1.00 0.35 H new ATOM 0 HD12 LEU A 87 -24.802 2.206 -16.451 1.00 0.35 H new ATOM 0 HD13 LEU A 87 -25.060 1.278 -17.948 1.00 0.35 H new ATOM 0 HD21 LEU A 87 -26.722 -0.957 -16.600 1.00 0.38 H new ATOM 0 HD22 LEU A 87 -25.419 -1.267 -17.772 1.00 0.38 H new ATOM 0 HD23 LEU A 87 -25.368 -2.027 -16.164 1.00 0.38 H new ATOM 1409 N PHE A 88 -20.689 -2.183 -16.675 1.00 0.18 N ATOM 1410 CA PHE A 88 -19.228 -2.261 -16.671 1.00 0.19 C ATOM 1411 C PHE A 88 -18.654 -1.552 -17.897 1.00 0.20 C ATOM 1412 O PHE A 88 -19.028 -1.855 -19.031 1.00 0.27 O ATOM 1413 CB PHE A 88 -18.794 -3.726 -16.644 1.00 0.20 C ATOM 1414 CG PHE A 88 -18.922 -4.355 -15.272 1.00 0.20 C ATOM 1415 CD1 PHE A 88 -18.021 -4.027 -14.268 1.00 0.21 C ATOM 1416 CD2 PHE A 88 -19.936 -5.264 -15.012 1.00 0.24 C ATOM 1417 CE1 PHE A 88 -18.135 -4.605 -13.015 1.00 0.22 C ATOM 1418 CE2 PHE A 88 -20.050 -5.840 -13.759 1.00 0.25 C ATOM 1419 CZ PHE A 88 -19.150 -5.511 -12.760 1.00 0.22 C ATOM 0 H PHE A 88 -21.130 -2.692 -17.441 1.00 0.18 H new ATOM 0 HA PHE A 88 -18.845 -1.762 -15.781 1.00 0.19 H new ATOM 0 HB2 PHE A 88 -19.397 -4.291 -17.355 1.00 0.20 H new ATOM 0 HB3 PHE A 88 -17.758 -3.799 -16.976 1.00 0.20 H new ATOM 0 HD1 PHE A 88 -17.229 -3.319 -14.465 1.00 0.21 H new ATOM 0 HD2 PHE A 88 -20.639 -5.523 -15.790 1.00 0.24 H new ATOM 0 HE1 PHE A 88 -17.432 -4.349 -12.236 1.00 0.22 H new ATOM 0 HE2 PHE A 88 -20.842 -6.547 -13.560 1.00 0.25 H new ATOM 0 HZ PHE A 88 -19.240 -5.961 -11.782 1.00 0.22 H new ATOM 1429 N GLN A 89 -17.745 -0.605 -17.663 1.00 0.23 N ATOM 1430 CA GLN A 89 -17.106 0.163 -18.745 1.00 0.26 C ATOM 1431 C GLN A 89 -15.667 -0.298 -18.950 1.00 0.22 C ATOM 1432 O GLN A 89 -14.918 -0.475 -17.979 1.00 0.25 O ATOM 1433 CB GLN A 89 -17.103 1.660 -18.411 1.00 0.32 C ATOM 1434 CG GLN A 89 -16.734 2.519 -19.629 1.00 0.52 C ATOM 1435 CD GLN A 89 -16.665 3.994 -19.243 1.00 0.75 C ATOM 1436 OE1 GLN A 89 -15.623 4.369 -18.518 1.00 1.34 O flip ATOM 1437 NE2 GLN A 89 -17.542 4.782 -19.596 1.00 1.63 N flip ATOM 0 H GLN A 89 -17.429 -0.346 -16.728 1.00 0.23 H new ATOM 0 HA GLN A 89 -17.677 -0.007 -19.658 1.00 0.26 H new ATOM 0 HB2 GLN A 89 -18.088 1.952 -18.046 1.00 0.32 H new ATOM 0 HB3 GLN A 89 -16.395 1.850 -17.605 1.00 0.32 H new ATOM 0 HG2 GLN A 89 -15.773 2.197 -20.031 1.00 0.52 H new ATOM 0 HG3 GLN A 89 -17.473 2.378 -20.418 1.00 0.52 H new ATOM 0 HE21 GLN A 89 -18.329 4.452 -20.155 1.00 1.63 H new ATOM 0 HE22 GLN A 89 -17.482 5.765 -19.330 1.00 1.63 H new ATOM 1446 N ALA A 90 -15.282 -0.444 -20.218 1.00 0.22 N ATOM 1447 CA ALA A 90 -13.921 -0.837 -20.596 1.00 0.24 C ATOM 1448 C ALA A 90 -13.242 0.330 -21.316 1.00 0.27 C ATOM 1449 O ALA A 90 -13.915 1.206 -21.870 1.00 0.32 O ATOM 1450 CB ALA A 90 -13.950 -2.062 -21.510 1.00 0.29 C ATOM 0 H ALA A 90 -15.903 -0.294 -21.013 1.00 0.22 H new ATOM 0 HA ALA A 90 -13.362 -1.092 -19.696 1.00 0.24 H new ATOM 0 HB1 ALA A 90 -12.931 -2.339 -21.780 1.00 0.29 H new ATOM 0 HB2 ALA A 90 -14.426 -2.893 -20.990 1.00 0.29 H new ATOM 0 HB3 ALA A 90 -14.514 -1.829 -22.413 1.00 0.29 H new ATOM 1456 N LYS A 91 -11.914 0.349 -21.301 1.00 0.35 N ATOM 1457 CA LYS A 91 -11.151 1.425 -21.945 1.00 0.44 C ATOM 1458 C LYS A 91 -10.700 1.035 -23.359 1.00 0.49 C ATOM 1459 O LYS A 91 -10.550 1.901 -24.225 1.00 0.68 O ATOM 1460 CB LYS A 91 -9.943 1.804 -21.073 1.00 0.65 C ATOM 1461 CG LYS A 91 -8.833 0.748 -21.111 1.00 1.26 C ATOM 1462 CD LYS A 91 -8.225 0.525 -19.728 1.00 1.43 C ATOM 1463 CE LYS A 91 -6.989 -0.374 -19.798 1.00 1.86 C ATOM 1464 NZ LYS A 91 -7.119 -1.420 -20.857 1.00 2.29 N ATOM 0 H LYS A 91 -11.339 -0.364 -20.852 1.00 0.35 H new ATOM 0 HA LYS A 91 -11.806 2.291 -22.044 1.00 0.44 H new ATOM 0 HB2 LYS A 91 -9.542 2.760 -21.411 1.00 0.65 H new ATOM 0 HB3 LYS A 91 -10.272 1.942 -20.043 1.00 0.65 H new ATOM 0 HG2 LYS A 91 -9.236 -0.192 -21.488 1.00 1.26 H new ATOM 0 HG3 LYS A 91 -8.054 1.062 -21.806 1.00 1.26 H new ATOM 0 HD2 LYS A 91 -7.954 1.485 -19.289 1.00 1.43 H new ATOM 0 HD3 LYS A 91 -8.968 0.073 -19.071 1.00 1.43 H new ATOM 0 HE2 LYS A 91 -6.108 0.236 -19.997 1.00 1.86 H new ATOM 0 HE3 LYS A 91 -6.834 -0.853 -18.831 1.00 1.86 H new ATOM 0 HZ1 LYS A 91 -6.556 -2.253 -20.593 1.00 2.29 H new ATOM 0 HZ2 LYS A 91 -8.118 -1.694 -20.954 1.00 2.29 H new ATOM 0 HZ3 LYS A 91 -6.774 -1.042 -21.762 1.00 2.29 H new ATOM 1478 N ASP A 92 -10.472 -0.264 -23.589 1.00 0.49 N ATOM 1479 CA ASP A 92 -10.016 -0.762 -24.893 1.00 0.66 C ATOM 1480 C ASP A 92 -11.103 -1.590 -25.574 1.00 0.59 C ATOM 1481 O ASP A 92 -11.938 -2.233 -24.917 1.00 0.75 O ATOM 1482 CB ASP A 92 -8.738 -1.603 -24.720 1.00 0.84 C ATOM 1483 CG ASP A 92 -7.515 -0.705 -24.563 1.00 1.34 C ATOM 1484 OD1 ASP A 92 -7.084 -0.096 -25.564 1.00 1.77 O ATOM 1485 OD2 ASP A 92 -6.979 -0.608 -23.440 1.00 2.01 O ATOM 0 H ASP A 92 -10.597 -0.992 -22.886 1.00 0.49 H new ATOM 0 HA ASP A 92 -9.796 0.096 -25.528 1.00 0.66 H new ATOM 0 HB2 ASP A 92 -8.837 -2.247 -23.846 1.00 0.84 H new ATOM 0 HB3 ASP A 92 -8.607 -2.255 -25.583 1.00 0.84 H new ATOM 1490 N ASP A 93 -11.072 -1.561 -26.907 1.00 0.62 N ATOM 1491 CA ASP A 93 -12.027 -2.281 -27.764 1.00 0.63 C ATOM 1492 C ASP A 93 -11.991 -3.789 -27.499 1.00 0.49 C ATOM 1493 O ASP A 93 -13.034 -4.435 -27.381 1.00 0.54 O ATOM 1494 CB ASP A 93 -11.693 -2.006 -29.246 1.00 0.83 C ATOM 1495 CG ASP A 93 -12.941 -1.628 -30.037 1.00 1.55 C ATOM 1496 OD1 ASP A 93 -13.372 -0.461 -29.946 1.00 2.21 O ATOM 1497 OD2 ASP A 93 -13.474 -2.487 -30.769 1.00 2.13 O ATOM 0 H ASP A 93 -10.376 -1.032 -27.432 1.00 0.62 H new ATOM 0 HA ASP A 93 -13.030 -1.923 -27.533 1.00 0.63 H new ATOM 0 HB2 ASP A 93 -10.961 -1.201 -29.312 1.00 0.83 H new ATOM 0 HB3 ASP A 93 -11.235 -2.891 -29.688 1.00 0.83 H new ATOM 1502 N GLU A 94 -10.779 -4.342 -27.408 1.00 0.41 N ATOM 1503 CA GLU A 94 -10.585 -5.777 -27.165 1.00 0.41 C ATOM 1504 C GLU A 94 -11.070 -6.150 -25.762 1.00 0.36 C ATOM 1505 O GLU A 94 -11.846 -7.092 -25.599 1.00 0.41 O ATOM 1506 CB GLU A 94 -9.104 -6.160 -27.328 1.00 0.49 C ATOM 1507 CG GLU A 94 -8.420 -5.389 -28.469 1.00 1.21 C ATOM 1508 CD GLU A 94 -7.779 -4.116 -27.934 1.00 1.93 C ATOM 1509 OE1 GLU A 94 -6.720 -4.209 -27.281 1.00 2.43 O ATOM 1510 OE2 GLU A 94 -8.343 -3.026 -28.141 1.00 2.59 O ATOM 0 H GLU A 94 -9.911 -3.815 -27.499 1.00 0.41 H new ATOM 0 HA GLU A 94 -11.170 -6.329 -27.900 1.00 0.41 H new ATOM 0 HB2 GLU A 94 -8.576 -5.965 -26.394 1.00 0.49 H new ATOM 0 HB3 GLU A 94 -9.028 -7.230 -27.520 1.00 0.49 H new ATOM 0 HG2 GLU A 94 -7.662 -6.017 -28.939 1.00 1.21 H new ATOM 0 HG3 GLU A 94 -9.151 -5.141 -29.239 1.00 1.21 H new ATOM 1517 N GLU A 95 -10.602 -5.389 -24.764 1.00 0.31 N ATOM 1518 CA GLU A 95 -10.954 -5.591 -23.348 1.00 0.29 C ATOM 1519 C GLU A 95 -12.465 -5.797 -23.157 1.00 0.24 C ATOM 1520 O GLU A 95 -12.881 -6.720 -22.459 1.00 0.23 O ATOM 1521 CB GLU A 95 -10.480 -4.380 -22.534 1.00 0.33 C ATOM 1522 CG GLU A 95 -9.987 -4.771 -21.136 1.00 0.42 C ATOM 1523 CD GLU A 95 -9.421 -3.550 -20.415 1.00 0.84 C ATOM 1524 OE1 GLU A 95 -9.749 -2.409 -20.800 1.00 1.21 O ATOM 1525 OE2 GLU A 95 -8.645 -3.727 -19.453 1.00 1.30 O ATOM 0 H GLU A 95 -9.963 -4.609 -24.916 1.00 0.31 H new ATOM 0 HA GLU A 95 -10.457 -6.496 -22.998 1.00 0.29 H new ATOM 0 HB2 GLU A 95 -9.677 -3.876 -23.072 1.00 0.33 H new ATOM 0 HB3 GLU A 95 -11.298 -3.666 -22.441 1.00 0.33 H new ATOM 0 HG2 GLU A 95 -10.808 -5.195 -20.558 1.00 0.42 H new ATOM 0 HG3 GLU A 95 -9.221 -5.543 -21.215 1.00 0.42 H new ATOM 1532 N MET A 96 -13.282 -4.944 -23.794 1.00 0.24 N ATOM 1533 CA MET A 96 -14.750 -5.052 -23.696 1.00 0.22 C ATOM 1534 C MET A 96 -15.237 -6.420 -24.198 1.00 0.22 C ATOM 1535 O MET A 96 -16.082 -7.055 -23.570 1.00 0.23 O ATOM 1536 CB MET A 96 -15.432 -3.937 -24.503 1.00 0.26 C ATOM 1537 CG MET A 96 -16.915 -3.786 -24.116 1.00 0.39 C ATOM 1538 SD MET A 96 -17.994 -3.539 -25.544 1.00 0.94 S ATOM 1539 CE MET A 96 -17.785 -5.100 -26.417 1.00 0.77 C ATOM 0 H MET A 96 -12.956 -4.175 -24.380 1.00 0.24 H new ATOM 0 HA MET A 96 -15.018 -4.947 -22.645 1.00 0.22 H new ATOM 0 HB2 MET A 96 -14.913 -2.994 -24.333 1.00 0.26 H new ATOM 0 HB3 MET A 96 -15.353 -4.157 -25.568 1.00 0.26 H new ATOM 0 HG2 MET A 96 -17.236 -4.676 -23.574 1.00 0.39 H new ATOM 0 HG3 MET A 96 -17.023 -2.942 -23.435 1.00 0.39 H new ATOM 0 HE1 MET A 96 -17.240 -4.928 -27.345 1.00 0.77 H new ATOM 0 HE2 MET A 96 -17.225 -5.795 -25.791 1.00 0.77 H new ATOM 0 HE3 MET A 96 -18.763 -5.524 -26.644 1.00 0.77 H new ATOM 1549 N ASN A 97 -14.681 -6.872 -25.325 1.00 0.25 N ATOM 1550 CA ASN A 97 -15.046 -8.170 -25.911 1.00 0.28 C ATOM 1551 C ASN A 97 -14.541 -9.313 -25.018 1.00 0.26 C ATOM 1552 O ASN A 97 -15.267 -10.276 -24.759 1.00 0.29 O ATOM 1553 CB ASN A 97 -14.461 -8.289 -27.333 1.00 0.35 C ATOM 1554 CG ASN A 97 -14.864 -9.616 -27.989 1.00 0.49 C ATOM 1555 OD1 ASN A 97 -15.973 -9.755 -28.502 1.00 1.05 O ATOM 1556 ND2 ASN A 97 -13.965 -10.591 -27.967 1.00 1.24 N ATOM 0 H ASN A 97 -13.975 -6.359 -25.853 1.00 0.25 H new ATOM 0 HA ASN A 97 -16.132 -8.240 -25.977 1.00 0.28 H new ATOM 0 HB2 ASN A 97 -14.811 -7.457 -27.944 1.00 0.35 H new ATOM 0 HB3 ASN A 97 -13.374 -8.217 -27.289 1.00 0.35 H new ATOM 0 HD21 ASN A 97 -14.183 -11.495 -28.385 1.00 1.24 H new ATOM 0 HD22 ASN A 97 -13.056 -10.436 -27.532 1.00 1.24 H new ATOM 1563 N THR A 98 -13.298 -9.187 -24.548 1.00 0.25 N ATOM 1564 CA THR A 98 -12.667 -10.189 -23.677 1.00 0.27 C ATOM 1565 C THR A 98 -13.484 -10.401 -22.388 1.00 0.23 C ATOM 1566 O THR A 98 -13.691 -11.535 -21.954 1.00 0.27 O ATOM 1567 CB THR A 98 -11.234 -9.742 -23.340 1.00 0.31 C ATOM 1568 OG1 THR A 98 -10.550 -9.356 -24.530 1.00 0.38 O ATOM 1569 CG2 THR A 98 -10.454 -10.852 -22.634 1.00 0.39 C ATOM 0 H THR A 98 -12.698 -8.389 -24.759 1.00 0.25 H new ATOM 0 HA THR A 98 -12.635 -11.142 -24.206 1.00 0.27 H new ATOM 0 HB THR A 98 -11.301 -8.890 -22.663 1.00 0.31 H new ATOM 0 HG1 THR A 98 -10.883 -8.485 -24.831 1.00 0.38 H new ATOM 0 HG21 THR A 98 -9.446 -10.503 -22.410 1.00 0.39 H new ATOM 0 HG22 THR A 98 -10.960 -11.119 -21.706 1.00 0.39 H new ATOM 0 HG23 THR A 98 -10.399 -11.727 -23.282 1.00 0.39 H new ATOM 1577 N TRP A 99 -13.948 -9.302 -21.786 1.00 0.20 N ATOM 1578 CA TRP A 99 -14.739 -9.359 -20.547 1.00 0.20 C ATOM 1579 C TRP A 99 -16.096 -10.034 -20.791 1.00 0.21 C ATOM 1580 O TRP A 99 -16.455 -10.982 -20.095 1.00 0.24 O ATOM 1581 CB TRP A 99 -14.948 -7.939 -19.984 1.00 0.21 C ATOM 1582 CG TRP A 99 -13.830 -7.485 -19.091 1.00 0.22 C ATOM 1583 CD1 TRP A 99 -12.971 -6.446 -19.313 1.00 0.26 C ATOM 1584 CD2 TRP A 99 -13.448 -8.061 -17.823 1.00 0.22 C ATOM 1585 NE1 TRP A 99 -12.097 -6.368 -18.267 1.00 0.28 N ATOM 1586 CE2 TRP A 99 -12.357 -7.330 -17.345 1.00 0.26 C ATOM 1587 CE3 TRP A 99 -13.921 -9.123 -17.053 1.00 0.23 C ATOM 1588 CZ2 TRP A 99 -11.742 -7.625 -16.142 1.00 0.28 C ATOM 1589 CZ3 TRP A 99 -13.313 -9.426 -15.846 1.00 0.26 C ATOM 1590 CH2 TRP A 99 -12.230 -8.682 -15.394 1.00 0.29 C ATOM 0 H TRP A 99 -13.790 -8.357 -22.136 1.00 0.20 H new ATOM 0 HA TRP A 99 -14.188 -9.954 -19.819 1.00 0.20 H new ATOM 0 HB2 TRP A 99 -15.050 -7.238 -20.813 1.00 0.21 H new ATOM 0 HB3 TRP A 99 -15.884 -7.911 -19.426 1.00 0.21 H new ATOM 0 HD1 TRP A 99 -12.982 -5.794 -20.174 1.00 0.26 H new ATOM 0 HE1 TRP A 99 -11.349 -5.679 -18.189 1.00 0.28 H new ATOM 0 HE3 TRP A 99 -14.761 -9.709 -17.397 1.00 0.23 H new ATOM 0 HZ2 TRP A 99 -10.901 -7.044 -15.794 1.00 0.28 H new ATOM 0 HZ3 TRP A 99 -13.684 -10.248 -15.251 1.00 0.26 H new ATOM 0 HH2 TRP A 99 -11.765 -8.931 -14.451 1.00 0.29 H new ATOM 1601 N ILE A 100 -16.845 -9.535 -21.778 1.00 0.21 N ATOM 1602 CA ILE A 100 -18.172 -10.075 -22.116 1.00 0.24 C ATOM 1603 C ILE A 100 -18.111 -11.581 -22.426 1.00 0.28 C ATOM 1604 O ILE A 100 -18.921 -12.361 -21.913 1.00 0.34 O ATOM 1605 CB ILE A 100 -18.761 -9.298 -23.308 1.00 0.25 C ATOM 1606 CG1 ILE A 100 -19.112 -7.867 -22.884 1.00 0.25 C ATOM 1607 CG2 ILE A 100 -20.003 -9.998 -23.872 1.00 0.30 C ATOM 1608 CD1 ILE A 100 -19.598 -7.023 -24.063 1.00 0.29 C ATOM 0 H ILE A 100 -16.555 -8.752 -22.363 1.00 0.21 H new ATOM 0 HA ILE A 100 -18.821 -9.950 -21.249 1.00 0.24 H new ATOM 0 HB ILE A 100 -18.006 -9.266 -24.093 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -19.885 -7.896 -22.116 1.00 0.25 H new ATOM 0 HG13 ILE A 100 -18.236 -7.396 -22.438 1.00 0.25 H new ATOM 0 HG21 ILE A 100 -20.394 -9.424 -24.712 1.00 0.30 H new ATOM 0 HG22 ILE A 100 -19.735 -10.999 -24.210 1.00 0.30 H new ATOM 0 HG23 ILE A 100 -20.765 -10.069 -23.095 1.00 0.30 H new ATOM 0 HD11 ILE A 100 -19.835 -6.017 -23.717 1.00 0.29 H new ATOM 0 HD12 ILE A 100 -18.816 -6.971 -24.820 1.00 0.29 H new ATOM 0 HD13 ILE A 100 -20.490 -7.479 -24.493 1.00 0.29 H new ATOM 1620 N GLN A 101 -17.151 -11.991 -23.258 1.00 0.29 N ATOM 1621 CA GLN A 101 -16.996 -13.405 -23.629 1.00 0.35 C ATOM 1622 C GLN A 101 -16.538 -14.251 -22.433 1.00 0.36 C ATOM 1623 O GLN A 101 -16.962 -15.398 -22.284 1.00 0.43 O ATOM 1624 CB GLN A 101 -16.023 -13.546 -24.804 1.00 0.40 C ATOM 1625 CG GLN A 101 -16.617 -12.927 -26.080 1.00 0.48 C ATOM 1626 CD GLN A 101 -15.957 -13.488 -27.338 1.00 1.05 C ATOM 1627 OE1 GLN A 101 -16.629 -13.747 -28.335 1.00 1.81 O ATOM 1628 NE2 GLN A 101 -14.648 -13.667 -27.309 1.00 1.76 N ATOM 0 H GLN A 101 -16.469 -11.367 -23.689 1.00 0.29 H new ATOM 0 HA GLN A 101 -17.971 -13.780 -23.941 1.00 0.35 H new ATOM 0 HB2 GLN A 101 -15.080 -13.057 -24.562 1.00 0.40 H new ATOM 0 HB3 GLN A 101 -15.801 -14.600 -24.974 1.00 0.40 H new ATOM 0 HG2 GLN A 101 -17.689 -13.121 -26.114 1.00 0.48 H new ATOM 0 HG3 GLN A 101 -16.489 -11.845 -26.053 1.00 0.48 H new ATOM 0 HE21 GLN A 101 -14.121 -13.442 -26.465 1.00 1.76 H new ATOM 0 HE22 GLN A 101 -14.165 -14.030 -28.130 1.00 1.76 H new ATOM 1637 N ALA A 102 -15.695 -13.681 -21.566 1.00 0.32 N ATOM 1638 CA ALA A 102 -15.210 -14.387 -20.370 1.00 0.37 C ATOM 1639 C ALA A 102 -16.375 -14.673 -19.416 1.00 0.38 C ATOM 1640 O ALA A 102 -16.543 -15.798 -18.944 1.00 0.48 O ATOM 1641 CB ALA A 102 -14.150 -13.552 -19.652 1.00 0.38 C ATOM 0 H ALA A 102 -15.333 -12.733 -21.668 1.00 0.32 H new ATOM 0 HA ALA A 102 -14.764 -15.331 -20.684 1.00 0.37 H new ATOM 0 HB1 ALA A 102 -13.801 -14.088 -18.769 1.00 0.38 H new ATOM 0 HB2 ALA A 102 -13.310 -13.374 -20.324 1.00 0.38 H new ATOM 0 HB3 ALA A 102 -14.582 -12.598 -19.350 1.00 0.38 H new ATOM 1647 N ILE A 103 -17.182 -13.638 -19.156 1.00 0.33 N ATOM 1648 CA ILE A 103 -18.353 -13.736 -18.268 1.00 0.38 C ATOM 1649 C ILE A 103 -19.399 -14.711 -18.837 1.00 0.47 C ATOM 1650 O ILE A 103 -20.059 -15.433 -18.085 1.00 0.55 O ATOM 1651 CB ILE A 103 -18.961 -12.336 -18.069 1.00 0.37 C ATOM 1652 CG1 ILE A 103 -18.014 -11.459 -17.232 1.00 0.35 C ATOM 1653 CG2 ILE A 103 -20.344 -12.406 -17.407 1.00 0.49 C ATOM 1654 CD1 ILE A 103 -18.097 -9.986 -17.628 1.00 0.35 C ATOM 0 H ILE A 103 -17.045 -12.709 -19.553 1.00 0.33 H new ATOM 0 HA ILE A 103 -18.033 -14.128 -17.303 1.00 0.38 H new ATOM 0 HB ILE A 103 -19.089 -11.888 -19.054 1.00 0.37 H new ATOM 0 HG12 ILE A 103 -18.261 -11.565 -16.176 1.00 0.35 H new ATOM 0 HG13 ILE A 103 -16.990 -11.811 -17.356 1.00 0.35 H new ATOM 0 HG21 ILE A 103 -20.740 -11.398 -17.284 1.00 0.49 H new ATOM 0 HG22 ILE A 103 -21.019 -12.987 -18.036 1.00 0.49 H new ATOM 0 HG23 ILE A 103 -20.256 -12.883 -16.431 1.00 0.49 H new ATOM 0 HD11 ILE A 103 -17.412 -9.404 -17.011 1.00 0.35 H new ATOM 0 HD12 ILE A 103 -17.824 -9.875 -18.677 1.00 0.35 H new ATOM 0 HD13 ILE A 103 -19.115 -9.626 -17.478 1.00 0.35 H new ATOM 1666 N SER A 104 -19.529 -14.742 -20.169 1.00 0.53 N ATOM 1667 CA SER A 104 -20.479 -15.643 -20.842 1.00 0.66 C ATOM 1668 C SER A 104 -20.026 -17.110 -20.717 1.00 0.72 C ATOM 1669 O SER A 104 -20.826 -18.031 -20.884 1.00 0.89 O ATOM 1670 CB SER A 104 -20.616 -15.257 -22.319 1.00 0.81 C ATOM 1671 OG SER A 104 -21.034 -13.902 -22.451 1.00 1.05 O ATOM 0 H SER A 104 -18.989 -14.154 -20.804 1.00 0.53 H new ATOM 0 HA SER A 104 -21.450 -15.542 -20.356 1.00 0.66 H new ATOM 0 HB2 SER A 104 -19.662 -15.399 -22.827 1.00 0.81 H new ATOM 0 HB3 SER A 104 -21.337 -15.914 -22.806 1.00 0.81 H new ATOM 0 HG SER A 104 -20.253 -13.312 -22.400 1.00 1.05 H new ATOM 1677 N SER A 105 -18.741 -17.313 -20.406 1.00 0.80 N ATOM 1678 CA SER A 105 -18.172 -18.648 -20.240 1.00 1.13 C ATOM 1679 C SER A 105 -18.276 -19.085 -18.773 1.00 1.23 C ATOM 1680 O SER A 105 -19.115 -19.921 -18.425 1.00 1.61 O ATOM 1681 CB SER A 105 -16.706 -18.646 -20.702 1.00 1.48 C ATOM 1682 OG SER A 105 -16.581 -18.050 -21.989 1.00 1.63 O ATOM 0 H SER A 105 -18.071 -16.557 -20.263 1.00 0.80 H new ATOM 0 HA SER A 105 -18.731 -19.358 -20.850 1.00 1.13 H new ATOM 0 HB2 SER A 105 -16.094 -18.101 -19.983 1.00 1.48 H new ATOM 0 HB3 SER A 105 -16.328 -19.668 -20.732 1.00 1.48 H new ATOM 0 HG SER A 105 -16.608 -17.074 -21.902 1.00 1.63 H new ATOM 1688 N ALA A 106 -17.426 -18.510 -17.921 1.00 1.29 N ATOM 1689 CA ALA A 106 -17.400 -18.822 -16.490 1.00 1.59 C ATOM 1690 C ALA A 106 -16.324 -17.985 -15.806 1.00 2.40 C ATOM 1691 O ALA A 106 -16.507 -17.623 -14.630 1.00 3.00 O ATOM 1692 CB ALA A 106 -17.104 -20.309 -16.273 1.00 1.90 C ATOM 1693 OXT ALA A 106 -15.280 -17.716 -16.442 1.00 3.05 O ATOM 0 H ALA A 106 -16.735 -17.814 -18.203 1.00 1.29 H new ATOM 0 HA ALA A 106 -18.375 -18.591 -16.062 1.00 1.59 H new ATOM 0 HB1 ALA A 106 -17.088 -20.525 -15.205 1.00 1.90 H new ATOM 0 HB2 ALA A 106 -17.878 -20.908 -16.753 1.00 1.90 H new ATOM 0 HB3 ALA A 106 -16.135 -20.554 -16.707 1.00 1.90 H new