USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 618 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 MET CE :methyl 172:sc= -1.79 (180deg=-1.9) USER MOD Set 1.2: A 15 MET CE :methyl -154:sc= -0.125 (180deg=-0.66) USER MOD Single : A 1 MET N :NH3+ -177:sc= 1.05 (180deg=1.05) USER MOD Single : A 7 ASN : amide:sc= 1.17 K(o=1.2,f=-8.9!) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -174:sc= 1.28 (180deg=1.07) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -28:sc= 0.435 USER MOD Single : A 17 TYR OH : rot 81:sc= 0.09 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 2.02 K(o=2,f=0) USER MOD Single : A 37 SER OG : rot 180:sc=-0.00937 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= -0.064 X(o=-0.064,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= 0.306 X(o=0.31,f=0) USER MOD Single : A 69 LYS NZ :NH3+ -173:sc= 1.23 (180deg=1.17) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.292 USER MOD Single : A 77 LYS NZ :NH3+ 146:sc= 1.26 (180deg=0.953) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.199 0.854 -3.659 1.00 0.00 N ATOM 2 CA MET A 1 4.711 -0.257 -4.538 1.00 0.00 C ATOM 3 C MET A 1 3.592 0.215 -5.484 1.00 0.00 C ATOM 4 O MET A 1 3.137 1.354 -5.396 1.00 0.00 O ATOM 5 CB MET A 1 4.331 -1.535 -3.740 1.00 0.00 C ATOM 6 CG MET A 1 3.073 -1.448 -2.857 1.00 0.00 C ATOM 7 SD MET A 1 3.014 -2.658 -1.504 1.00 0.00 S ATOM 8 CE MET A 1 3.067 -4.190 -2.449 1.00 0.00 C ATOM 0 H1 MET A 1 5.986 0.512 -3.072 1.00 0.00 H new ATOM 0 H2 MET A 1 5.526 1.646 -4.249 1.00 0.00 H new ATOM 0 H3 MET A 1 4.424 1.177 -3.045 1.00 0.00 H new ATOM 0 HA MET A 1 5.550 -0.550 -5.169 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.194 -2.351 -4.449 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.175 -1.804 -3.105 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.011 -0.446 -2.433 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.193 -1.583 -3.486 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.182 -5.034 -1.768 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.141 -4.302 -3.013 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.911 -4.163 -3.139 1.00 0.00 H new ATOM 20 N GLU A 2 3.136 -0.656 -6.393 1.00 0.00 N ATOM 21 CA GLU A 2 2.298 -0.311 -7.538 1.00 0.00 C ATOM 22 C GLU A 2 1.020 -1.157 -7.461 1.00 0.00 C ATOM 23 O GLU A 2 0.879 -2.148 -8.172 1.00 0.00 O ATOM 24 CB GLU A 2 3.151 -0.501 -8.816 1.00 0.00 C ATOM 25 CG GLU A 2 3.738 0.841 -9.275 1.00 0.00 C ATOM 26 CD GLU A 2 4.589 0.693 -10.548 1.00 0.00 C ATOM 27 OE1 GLU A 2 4.016 0.599 -11.662 1.00 0.00 O ATOM 28 OE2 GLU A 2 5.841 0.709 -10.450 1.00 0.00 O ATOM 0 H GLU A 2 3.350 -1.652 -6.346 1.00 0.00 H new ATOM 0 HA GLU A 2 1.965 0.727 -7.548 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.956 -1.209 -8.621 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.537 -0.927 -9.610 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.928 1.546 -9.460 1.00 0.00 H new ATOM 0 HG3 GLU A 2 4.350 1.261 -8.477 1.00 0.00 H new ATOM 35 N ILE A 3 0.132 -0.815 -6.513 1.00 0.00 N ATOM 36 CA ILE A 3 -1.192 -1.431 -6.338 1.00 0.00 C ATOM 37 C ILE A 3 -2.046 -1.185 -7.603 1.00 0.00 C ATOM 38 O ILE A 3 -1.894 -0.149 -8.258 1.00 0.00 O ATOM 39 CB ILE A 3 -1.892 -0.868 -5.079 1.00 0.00 C ATOM 40 CG1 ILE A 3 -1.028 -0.895 -3.797 1.00 0.00 C ATOM 41 CG2 ILE A 3 -3.222 -1.587 -4.782 1.00 0.00 C ATOM 42 CD1 ILE A 3 -0.623 -2.257 -3.217 1.00 0.00 C ATOM 0 H ILE A 3 0.321 -0.082 -5.829 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.073 -2.505 -6.197 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.074 0.176 -5.335 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.115 -0.336 -4.001 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.568 -0.351 -3.022 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.676 -1.157 -3.889 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.898 -1.465 -5.628 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.033 -2.648 -4.618 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.021 -2.106 -2.321 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.518 -2.824 -2.962 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.042 -2.809 -3.956 1.00 0.00 H new ATOM 54 N GLU A 4 -2.995 -2.081 -7.907 1.00 0.00 N ATOM 55 CA GLU A 4 -3.986 -1.921 -8.972 1.00 0.00 C ATOM 56 C GLU A 4 -5.302 -2.609 -8.578 1.00 0.00 C ATOM 57 O GLU A 4 -5.322 -3.790 -8.224 1.00 0.00 O ATOM 58 CB GLU A 4 -3.422 -2.521 -10.272 1.00 0.00 C ATOM 59 CG GLU A 4 -4.318 -2.280 -11.494 1.00 0.00 C ATOM 60 CD GLU A 4 -3.503 -2.042 -12.777 1.00 0.00 C ATOM 61 OE1 GLU A 4 -3.186 -3.020 -13.494 1.00 0.00 O ATOM 62 OE2 GLU A 4 -3.193 -0.867 -13.093 1.00 0.00 O ATOM 0 H GLU A 4 -3.094 -2.962 -7.402 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.195 -0.863 -9.128 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.437 -2.094 -10.463 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.284 -3.594 -10.138 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.973 -3.139 -11.637 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.959 -1.418 -11.308 1.00 0.00 H new ATOM 69 N ARG A 5 -6.418 -1.879 -8.646 1.00 0.00 N ATOM 70 CA ARG A 5 -7.763 -2.425 -8.447 1.00 0.00 C ATOM 71 C ARG A 5 -8.203 -3.055 -9.773 1.00 0.00 C ATOM 72 O ARG A 5 -8.431 -2.322 -10.738 1.00 0.00 O ATOM 73 CB ARG A 5 -8.696 -1.270 -8.018 1.00 0.00 C ATOM 74 CG ARG A 5 -10.129 -1.696 -7.646 1.00 0.00 C ATOM 75 CD ARG A 5 -10.248 -2.596 -6.409 1.00 0.00 C ATOM 76 NE ARG A 5 -9.622 -1.977 -5.216 1.00 0.00 N ATOM 77 CZ ARG A 5 -10.257 -1.426 -4.168 1.00 0.00 C ATOM 78 NH1 ARG A 5 -11.579 -1.448 -4.065 1.00 0.00 N ATOM 79 NH2 ARG A 5 -9.554 -0.840 -3.210 1.00 0.00 N ATOM 0 H ARG A 5 -6.413 -0.878 -8.844 1.00 0.00 H new ATOM 0 HA ARG A 5 -7.792 -3.188 -7.669 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -8.251 -0.761 -7.163 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -8.748 -0.544 -8.829 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -10.725 -0.799 -7.480 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -10.567 -2.217 -8.497 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -11.300 -2.796 -6.205 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -9.774 -3.556 -6.611 1.00 0.00 H new ATOM 0 HE ARG A 5 -8.602 -1.969 -5.188 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -12.140 -1.891 -4.793 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -12.035 -1.022 -3.258 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -8.536 -0.809 -3.271 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -10.031 -0.420 -2.412 1.00 0.00 H new ATOM 93 N ILE A 6 -8.308 -4.386 -9.849 1.00 0.00 N ATOM 94 CA ILE A 6 -8.795 -5.051 -11.055 1.00 0.00 C ATOM 95 C ILE A 6 -10.310 -4.849 -11.135 1.00 0.00 C ATOM 96 O ILE A 6 -10.829 -4.333 -12.124 1.00 0.00 O ATOM 97 CB ILE A 6 -8.436 -6.547 -11.015 1.00 0.00 C ATOM 98 CG1 ILE A 6 -6.958 -6.773 -10.657 1.00 0.00 C ATOM 99 CG2 ILE A 6 -8.789 -7.255 -12.334 1.00 0.00 C ATOM 100 CD1 ILE A 6 -5.939 -5.977 -11.478 1.00 0.00 C ATOM 0 H ILE A 6 -8.062 -5.020 -9.089 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.326 -4.624 -11.941 1.00 0.00 H new ATOM 0 HB ILE A 6 -9.042 -6.990 -10.224 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -6.818 -6.527 -9.604 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.736 -7.834 -10.769 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -8.520 -8.309 -12.265 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -9.859 -7.165 -12.520 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.238 -6.793 -13.154 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.931 -6.216 -11.138 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.038 -6.237 -12.532 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.122 -4.910 -11.349 1.00 0.00 H new ATOM 112 N ASN A 7 -11.003 -5.257 -10.067 1.00 0.00 N ATOM 113 CA ASN A 7 -12.460 -5.206 -9.931 1.00 0.00 C ATOM 114 C ASN A 7 -12.814 -5.199 -8.435 1.00 0.00 C ATOM 115 O ASN A 7 -11.943 -4.962 -7.598 1.00 0.00 O ATOM 116 CB ASN A 7 -13.125 -6.354 -10.734 1.00 0.00 C ATOM 117 CG ASN A 7 -13.055 -7.752 -10.119 1.00 0.00 C ATOM 118 OD1 ASN A 7 -12.459 -7.972 -9.072 1.00 0.00 O ATOM 119 ND2 ASN A 7 -13.679 -8.733 -10.745 1.00 0.00 N ATOM 0 H ASN A 7 -10.546 -5.647 -9.243 1.00 0.00 H new ATOM 0 HA ASN A 7 -12.860 -4.288 -10.363 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -14.174 -6.101 -10.884 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -12.662 -6.392 -11.720 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -13.665 -9.676 -10.357 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -14.175 -8.548 -11.617 1.00 0.00 H new ATOM 126 N GLU A 8 -14.079 -5.457 -8.081 1.00 0.00 N ATOM 127 CA GLU A 8 -14.576 -5.401 -6.701 1.00 0.00 C ATOM 128 C GLU A 8 -13.867 -6.389 -5.752 1.00 0.00 C ATOM 129 O GLU A 8 -13.893 -6.201 -4.532 1.00 0.00 O ATOM 130 CB GLU A 8 -16.094 -5.674 -6.729 1.00 0.00 C ATOM 131 CG GLU A 8 -16.861 -5.141 -5.512 1.00 0.00 C ATOM 132 CD GLU A 8 -16.906 -3.600 -5.480 1.00 0.00 C ATOM 133 OE1 GLU A 8 -17.837 -3.006 -6.080 1.00 0.00 O ATOM 134 OE2 GLU A 8 -16.024 -2.971 -4.847 1.00 0.00 O ATOM 0 H GLU A 8 -14.798 -5.715 -8.757 1.00 0.00 H new ATOM 0 HA GLU A 8 -14.361 -4.409 -6.303 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -16.514 -5.228 -7.631 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -16.255 -6.750 -6.801 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -17.878 -5.532 -5.526 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -16.391 -5.508 -4.599 1.00 0.00 H new ATOM 141 N HIS A 9 -13.234 -7.442 -6.283 1.00 0.00 N ATOM 142 CA HIS A 9 -12.769 -8.592 -5.508 1.00 0.00 C ATOM 143 C HIS A 9 -11.278 -8.842 -5.713 1.00 0.00 C ATOM 144 O HIS A 9 -10.574 -9.087 -4.734 1.00 0.00 O ATOM 145 CB HIS A 9 -13.610 -9.816 -5.909 1.00 0.00 C ATOM 146 CG HIS A 9 -15.073 -9.706 -5.539 1.00 0.00 C ATOM 147 ND1 HIS A 9 -16.141 -9.973 -6.367 1.00 0.00 N ATOM 148 CD2 HIS A 9 -15.594 -9.314 -4.331 1.00 0.00 C ATOM 149 CE1 HIS A 9 -17.271 -9.751 -5.673 1.00 0.00 C ATOM 150 NE2 HIS A 9 -16.990 -9.356 -4.418 1.00 0.00 N ATOM 0 H HIS A 9 -13.029 -7.517 -7.279 1.00 0.00 H new ATOM 0 HA HIS A 9 -12.899 -8.393 -4.444 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -13.528 -9.963 -6.986 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -13.191 -10.703 -5.434 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -15.024 -9.023 -3.461 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -18.268 -9.873 -6.069 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -17.658 -9.133 -3.680 1.00 0.00 H new ATOM 158 N THR A 10 -10.779 -8.746 -6.941 1.00 0.00 N ATOM 159 CA THR A 10 -9.380 -8.973 -7.262 1.00 0.00 C ATOM 160 C THR A 10 -8.642 -7.639 -7.201 1.00 0.00 C ATOM 161 O THR A 10 -9.097 -6.622 -7.735 1.00 0.00 O ATOM 162 CB THR A 10 -9.292 -9.653 -8.641 1.00 0.00 C ATOM 163 OG1 THR A 10 -10.079 -10.836 -8.605 1.00 0.00 O ATOM 164 CG2 THR A 10 -7.866 -10.045 -9.052 1.00 0.00 C ATOM 0 H THR A 10 -11.347 -8.504 -7.753 1.00 0.00 H new ATOM 0 HA THR A 10 -8.903 -9.640 -6.544 1.00 0.00 H new ATOM 0 HB THR A 10 -9.649 -8.929 -9.373 1.00 0.00 H new ATOM 0 HG1 THR A 10 -10.037 -11.283 -9.476 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.887 -10.518 -10.034 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.241 -9.153 -9.092 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.456 -10.743 -8.322 1.00 0.00 H new ATOM 172 N VAL A 11 -7.447 -7.665 -6.619 1.00 0.00 N ATOM 173 CA VAL A 11 -6.474 -6.589 -6.711 1.00 0.00 C ATOM 174 C VAL A 11 -5.185 -7.243 -7.190 1.00 0.00 C ATOM 175 O VAL A 11 -4.976 -8.439 -6.984 1.00 0.00 O ATOM 176 CB VAL A 11 -6.327 -5.830 -5.370 1.00 0.00 C ATOM 177 CG1 VAL A 11 -7.637 -5.135 -4.976 1.00 0.00 C ATOM 178 CG2 VAL A 11 -5.897 -6.714 -4.195 1.00 0.00 C ATOM 0 H VAL A 11 -7.124 -8.454 -6.059 1.00 0.00 H new ATOM 0 HA VAL A 11 -6.784 -5.814 -7.412 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.537 -5.103 -5.556 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.501 -4.611 -4.030 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.917 -4.420 -5.750 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -8.426 -5.880 -4.868 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.817 -6.107 -3.293 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -6.638 -7.498 -4.040 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.930 -7.166 -4.415 1.00 0.00 H new ATOM 188 N LYS A 12 -4.305 -6.479 -7.816 1.00 0.00 N ATOM 189 CA LYS A 12 -2.944 -6.932 -8.024 1.00 0.00 C ATOM 190 C LYS A 12 -2.016 -5.842 -7.554 1.00 0.00 C ATOM 191 O LYS A 12 -2.457 -4.737 -7.245 1.00 0.00 O ATOM 192 CB LYS A 12 -2.733 -7.398 -9.475 1.00 0.00 C ATOM 193 CG LYS A 12 -2.420 -6.330 -10.512 1.00 0.00 C ATOM 194 CD LYS A 12 -2.144 -7.015 -11.860 1.00 0.00 C ATOM 195 CE LYS A 12 -1.897 -5.920 -12.892 1.00 0.00 C ATOM 196 NZ LYS A 12 -1.272 -6.417 -14.144 1.00 0.00 N ATOM 0 H LYS A 12 -4.508 -5.550 -8.185 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.719 -7.820 -7.433 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.919 -8.123 -9.481 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.632 -7.925 -9.794 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.256 -5.637 -10.605 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -1.554 -5.745 -10.202 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.278 -7.673 -11.785 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -2.991 -7.635 -12.155 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.845 -5.439 -13.134 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.255 -5.156 -12.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.039 -5.611 -14.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.403 -6.940 -13.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -1.936 -7.048 -14.637 1.00 0.00 H new ATOM 210 N PHE A 13 -0.733 -6.143 -7.506 1.00 0.00 N ATOM 211 CA PHE A 13 0.273 -5.135 -7.303 1.00 0.00 C ATOM 212 C PHE A 13 1.550 -5.595 -7.971 1.00 0.00 C ATOM 213 O PHE A 13 1.815 -6.796 -8.080 1.00 0.00 O ATOM 214 CB PHE A 13 0.468 -4.861 -5.808 1.00 0.00 C ATOM 215 CG PHE A 13 0.850 -6.066 -4.977 1.00 0.00 C ATOM 216 CD1 PHE A 13 -0.152 -6.911 -4.471 1.00 0.00 C ATOM 217 CD2 PHE A 13 2.201 -6.325 -4.688 1.00 0.00 C ATOM 218 CE1 PHE A 13 0.192 -7.986 -3.635 1.00 0.00 C ATOM 219 CE2 PHE A 13 2.544 -7.371 -3.818 1.00 0.00 C ATOM 220 CZ PHE A 13 1.534 -8.182 -3.265 1.00 0.00 C ATOM 0 H PHE A 13 -0.366 -7.089 -7.607 1.00 0.00 H new ATOM 0 HA PHE A 13 -0.038 -4.192 -7.752 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.240 -4.100 -5.692 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.455 -4.442 -5.408 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.187 -6.734 -4.725 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.975 -5.719 -5.136 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.572 -8.660 -3.277 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.580 -7.554 -3.573 1.00 0.00 H new ATOM 0 HZ PHE A 13 1.791 -8.955 -2.556 1.00 0.00 H new ATOM 230 N TYR A 14 2.362 -4.631 -8.380 1.00 0.00 N ATOM 231 CA TYR A 14 3.721 -4.870 -8.775 1.00 0.00 C ATOM 232 C TYR A 14 4.610 -4.355 -7.646 1.00 0.00 C ATOM 233 O TYR A 14 4.292 -3.352 -6.998 1.00 0.00 O ATOM 234 CB TYR A 14 3.961 -4.186 -10.119 1.00 0.00 C ATOM 235 CG TYR A 14 5.416 -4.222 -10.484 1.00 0.00 C ATOM 236 CD1 TYR A 14 6.010 -5.447 -10.812 1.00 0.00 C ATOM 237 CD2 TYR A 14 6.190 -3.064 -10.344 1.00 0.00 C ATOM 238 CE1 TYR A 14 7.389 -5.529 -11.027 1.00 0.00 C ATOM 239 CE2 TYR A 14 7.578 -3.131 -10.567 1.00 0.00 C ATOM 240 CZ TYR A 14 8.187 -4.363 -10.920 1.00 0.00 C ATOM 241 OH TYR A 14 9.529 -4.436 -11.152 1.00 0.00 O ATOM 0 H TYR A 14 2.081 -3.652 -8.444 1.00 0.00 H new ATOM 0 HA TYR A 14 3.951 -5.925 -8.924 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.375 -4.681 -10.894 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.619 -3.152 -10.072 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.399 -6.333 -10.899 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.727 -2.128 -10.068 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.844 -6.477 -11.274 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.182 -2.241 -10.469 1.00 0.00 H new ATOM 0 HH TYR A 14 9.929 -3.549 -11.038 1.00 0.00 H new ATOM 251 N MET A 15 5.697 -5.071 -7.381 1.00 0.00 N ATOM 252 CA MET A 15 6.580 -4.854 -6.256 1.00 0.00 C ATOM 253 C MET A 15 8.008 -5.001 -6.744 1.00 0.00 C ATOM 254 O MET A 15 8.485 -6.108 -6.984 1.00 0.00 O ATOM 255 CB MET A 15 6.275 -5.902 -5.188 1.00 0.00 C ATOM 256 CG MET A 15 6.932 -5.576 -3.869 1.00 0.00 C ATOM 257 SD MET A 15 6.414 -6.694 -2.555 1.00 0.00 S ATOM 258 CE MET A 15 6.555 -5.557 -1.157 1.00 0.00 C ATOM 0 H MET A 15 5.993 -5.848 -7.972 1.00 0.00 H new ATOM 0 HA MET A 15 6.440 -3.861 -5.830 1.00 0.00 H new ATOM 0 HB2 MET A 15 5.196 -5.973 -5.048 1.00 0.00 H new ATOM 0 HB3 MET A 15 6.616 -6.879 -5.531 1.00 0.00 H new ATOM 0 HG2 MET A 15 8.015 -5.628 -3.982 1.00 0.00 H new ATOM 0 HG3 MET A 15 6.690 -4.551 -3.588 1.00 0.00 H new ATOM 0 HE1 MET A 15 6.732 -6.124 -0.243 1.00 0.00 H new ATOM 0 HE2 MET A 15 7.387 -4.873 -1.326 1.00 0.00 H new ATOM 0 HE3 MET A 15 5.631 -4.987 -1.057 1.00 0.00 H new ATOM 268 N SER A 16 8.700 -3.884 -6.898 1.00 0.00 N ATOM 269 CA SER A 16 10.117 -3.897 -7.228 1.00 0.00 C ATOM 270 C SER A 16 10.905 -4.474 -6.046 1.00 0.00 C ATOM 271 O SER A 16 10.489 -4.345 -4.891 1.00 0.00 O ATOM 272 CB SER A 16 10.594 -2.481 -7.566 1.00 0.00 C ATOM 273 OG SER A 16 9.654 -1.788 -8.379 1.00 0.00 O ATOM 0 H SER A 16 8.301 -2.951 -6.799 1.00 0.00 H new ATOM 0 HA SER A 16 10.284 -4.524 -8.103 1.00 0.00 H new ATOM 0 HB2 SER A 16 10.759 -1.923 -6.644 1.00 0.00 H new ATOM 0 HB3 SER A 16 11.552 -2.534 -8.082 1.00 0.00 H new ATOM 0 HG SER A 16 9.146 -2.433 -8.914 1.00 0.00 H new ATOM 279 N TYR A 17 12.075 -5.048 -6.326 1.00 0.00 N ATOM 280 CA TYR A 17 12.968 -5.611 -5.311 1.00 0.00 C ATOM 281 C TYR A 17 13.279 -4.653 -4.168 1.00 0.00 C ATOM 282 O TYR A 17 13.429 -5.095 -3.032 1.00 0.00 O ATOM 283 CB TYR A 17 14.277 -6.076 -5.953 1.00 0.00 C ATOM 284 CG TYR A 17 14.160 -7.165 -6.996 1.00 0.00 C ATOM 285 CD1 TYR A 17 13.166 -8.163 -6.911 1.00 0.00 C ATOM 286 CD2 TYR A 17 15.098 -7.205 -8.042 1.00 0.00 C ATOM 287 CE1 TYR A 17 13.129 -9.200 -7.854 1.00 0.00 C ATOM 288 CE2 TYR A 17 15.066 -8.244 -8.983 1.00 0.00 C ATOM 289 CZ TYR A 17 14.087 -9.254 -8.891 1.00 0.00 C ATOM 290 OH TYR A 17 14.125 -10.297 -9.765 1.00 0.00 O ATOM 0 H TYR A 17 12.435 -5.137 -7.276 1.00 0.00 H new ATOM 0 HA TYR A 17 12.432 -6.456 -4.879 1.00 0.00 H new ATOM 0 HB2 TYR A 17 14.759 -5.213 -6.412 1.00 0.00 H new ATOM 0 HB3 TYR A 17 14.940 -6.428 -5.163 1.00 0.00 H new ATOM 0 HD1 TYR A 17 12.433 -8.128 -6.119 1.00 0.00 H new ATOM 0 HD2 TYR A 17 15.847 -6.431 -8.121 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.365 -9.961 -7.787 1.00 0.00 H new ATOM 0 HE2 TYR A 17 15.794 -8.271 -9.781 1.00 0.00 H new ATOM 0 HH TYR A 17 13.452 -10.162 -10.464 1.00 0.00 H new ATOM 300 N GLY A 18 13.357 -3.347 -4.421 1.00 0.00 N ATOM 301 CA GLY A 18 13.697 -2.421 -3.353 1.00 0.00 C ATOM 302 C GLY A 18 12.490 -1.982 -2.522 1.00 0.00 C ATOM 303 O GLY A 18 12.678 -1.440 -1.439 1.00 0.00 O ATOM 0 H GLY A 18 13.193 -2.919 -5.332 1.00 0.00 H new ATOM 0 HA2 GLY A 18 14.430 -2.889 -2.696 1.00 0.00 H new ATOM 0 HA3 GLY A 18 14.172 -1.540 -3.784 1.00 0.00 H new ATOM 307 N ASP A 19 11.252 -2.268 -2.947 1.00 0.00 N ATOM 308 CA ASP A 19 10.103 -2.126 -2.045 1.00 0.00 C ATOM 309 C ASP A 19 10.195 -3.195 -0.956 1.00 0.00 C ATOM 310 O ASP A 19 9.970 -2.946 0.227 1.00 0.00 O ATOM 311 CB ASP A 19 8.786 -2.304 -2.807 1.00 0.00 C ATOM 312 CG ASP A 19 7.624 -1.676 -2.043 1.00 0.00 C ATOM 313 OD1 ASP A 19 6.973 -2.391 -1.254 1.00 0.00 O ATOM 314 OD2 ASP A 19 7.303 -0.492 -2.289 1.00 0.00 O ATOM 0 H ASP A 19 11.024 -2.592 -3.887 1.00 0.00 H new ATOM 0 HA ASP A 19 10.121 -1.128 -1.608 1.00 0.00 H new ATOM 0 HB2 ASP A 19 8.867 -1.847 -3.793 1.00 0.00 H new ATOM 0 HB3 ASP A 19 8.592 -3.365 -2.963 1.00 0.00 H new ATOM 319 N ILE A 20 10.594 -4.397 -1.377 1.00 0.00 N ATOM 320 CA ILE A 20 10.841 -5.543 -0.521 1.00 0.00 C ATOM 321 C ILE A 20 12.018 -5.217 0.411 1.00 0.00 C ATOM 322 O ILE A 20 11.917 -5.427 1.622 1.00 0.00 O ATOM 323 CB ILE A 20 11.054 -6.767 -1.455 1.00 0.00 C ATOM 324 CG1 ILE A 20 9.690 -7.176 -2.041 1.00 0.00 C ATOM 325 CG2 ILE A 20 11.746 -7.945 -0.774 1.00 0.00 C ATOM 326 CD1 ILE A 20 9.734 -7.806 -3.437 1.00 0.00 C ATOM 0 H ILE A 20 10.758 -4.599 -2.363 1.00 0.00 H new ATOM 0 HA ILE A 20 10.010 -5.786 0.141 1.00 0.00 H new ATOM 0 HB ILE A 20 11.735 -6.468 -2.252 1.00 0.00 H new ATOM 0 HG12 ILE A 20 9.218 -7.882 -1.358 1.00 0.00 H new ATOM 0 HG13 ILE A 20 9.051 -6.293 -2.080 1.00 0.00 H new ATOM 0 HG21 ILE A 20 11.860 -8.762 -1.487 1.00 0.00 H new ATOM 0 HG22 ILE A 20 12.728 -7.634 -0.418 1.00 0.00 H new ATOM 0 HG23 ILE A 20 11.144 -8.282 0.070 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.722 -8.056 -3.755 1.00 0.00 H new ATOM 0 HD12 ILE A 20 10.171 -7.099 -4.142 1.00 0.00 H new ATOM 0 HD13 ILE A 20 10.340 -8.712 -3.409 1.00 0.00 H new ATOM 338 N GLU A 21 13.103 -4.662 -0.134 1.00 0.00 N ATOM 339 CA GLU A 21 14.294 -4.360 0.637 1.00 0.00 C ATOM 340 C GLU A 21 14.021 -3.271 1.683 1.00 0.00 C ATOM 341 O GLU A 21 14.568 -3.325 2.783 1.00 0.00 O ATOM 342 CB GLU A 21 15.475 -4.064 -0.301 1.00 0.00 C ATOM 343 CG GLU A 21 15.828 -2.597 -0.433 1.00 0.00 C ATOM 344 CD GLU A 21 17.064 -2.366 -1.325 1.00 0.00 C ATOM 345 OE1 GLU A 21 18.206 -2.531 -0.832 1.00 0.00 O ATOM 346 OE2 GLU A 21 16.909 -2.002 -2.515 1.00 0.00 O ATOM 0 H GLU A 21 13.173 -4.413 -1.121 1.00 0.00 H new ATOM 0 HA GLU A 21 14.585 -5.236 1.217 1.00 0.00 H new ATOM 0 HB2 GLU A 21 16.351 -4.603 0.059 1.00 0.00 H new ATOM 0 HB3 GLU A 21 15.243 -4.458 -1.290 1.00 0.00 H new ATOM 0 HG2 GLU A 21 14.977 -2.058 -0.850 1.00 0.00 H new ATOM 0 HG3 GLU A 21 16.015 -2.181 0.557 1.00 0.00 H new ATOM 353 N ASP A 22 13.165 -2.300 1.355 1.00 0.00 N ATOM 354 CA ASP A 22 12.806 -1.204 2.256 1.00 0.00 C ATOM 355 C ASP A 22 12.118 -1.722 3.514 1.00 0.00 C ATOM 356 O ASP A 22 12.435 -1.317 4.638 1.00 0.00 O ATOM 357 CB ASP A 22 11.850 -0.227 1.583 1.00 0.00 C ATOM 358 CG ASP A 22 11.569 0.969 2.508 1.00 0.00 C ATOM 359 OD1 ASP A 22 12.474 1.818 2.693 1.00 0.00 O ATOM 360 OD2 ASP A 22 10.437 1.073 3.038 1.00 0.00 O ATOM 0 H ASP A 22 12.698 -2.253 0.449 1.00 0.00 H new ATOM 0 HA ASP A 22 13.739 -0.703 2.516 1.00 0.00 H new ATOM 0 HB2 ASP A 22 12.279 0.124 0.644 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.916 -0.733 1.337 1.00 0.00 H new ATOM 365 N ARG A 23 11.200 -2.671 3.314 1.00 0.00 N ATOM 366 CA ARG A 23 10.511 -3.386 4.380 1.00 0.00 C ATOM 367 C ARG A 23 11.463 -4.326 5.132 1.00 0.00 C ATOM 368 O ARG A 23 11.067 -4.898 6.150 1.00 0.00 O ATOM 369 CB ARG A 23 9.317 -4.136 3.773 1.00 0.00 C ATOM 370 CG ARG A 23 8.285 -3.194 3.141 1.00 0.00 C ATOM 371 CD ARG A 23 7.315 -3.992 2.270 1.00 0.00 C ATOM 372 NE ARG A 23 6.567 -3.108 1.367 1.00 0.00 N ATOM 373 CZ ARG A 23 5.634 -2.201 1.664 1.00 0.00 C ATOM 374 NH1 ARG A 23 5.092 -2.095 2.872 1.00 0.00 N ATOM 375 NH2 ARG A 23 5.264 -1.379 0.692 1.00 0.00 N ATOM 0 H ARG A 23 10.911 -2.967 2.382 1.00 0.00 H new ATOM 0 HA ARG A 23 10.144 -2.676 5.121 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.678 -4.833 3.017 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.834 -4.730 4.549 1.00 0.00 H new ATOM 0 HG2 ARG A 23 7.736 -2.666 3.921 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.790 -2.439 2.539 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.867 -4.730 1.687 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.620 -4.542 2.904 1.00 0.00 H new ATOM 0 HE ARG A 23 6.791 -3.200 0.376 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.386 -2.723 3.620 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.382 -1.385 3.052 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.689 -1.458 -0.232 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.554 -0.668 0.868 1.00 0.00 H new ATOM 389 N GLY A 24 12.700 -4.488 4.660 1.00 0.00 N ATOM 390 CA GLY A 24 13.716 -5.309 5.289 1.00 0.00 C ATOM 391 C GLY A 24 13.582 -6.790 4.934 1.00 0.00 C ATOM 392 O GLY A 24 14.264 -7.623 5.540 1.00 0.00 O ATOM 0 H GLY A 24 13.024 -4.036 3.805 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.702 -4.955 4.987 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.653 -5.192 6.371 1.00 0.00 H new ATOM 396 N PHE A 25 12.719 -7.128 3.973 1.00 0.00 N ATOM 397 CA PHE A 25 12.654 -8.462 3.377 1.00 0.00 C ATOM 398 C PHE A 25 13.718 -8.539 2.263 1.00 0.00 C ATOM 399 O PHE A 25 14.495 -7.598 2.065 1.00 0.00 O ATOM 400 CB PHE A 25 11.214 -8.751 2.897 1.00 0.00 C ATOM 401 CG PHE A 25 10.190 -8.788 4.019 1.00 0.00 C ATOM 402 CD1 PHE A 25 9.744 -7.578 4.580 1.00 0.00 C ATOM 403 CD2 PHE A 25 9.709 -10.005 4.548 1.00 0.00 C ATOM 404 CE1 PHE A 25 8.903 -7.562 5.703 1.00 0.00 C ATOM 405 CE2 PHE A 25 8.884 -9.988 5.681 1.00 0.00 C ATOM 406 CZ PHE A 25 8.492 -8.776 6.273 1.00 0.00 C ATOM 0 H PHE A 25 12.039 -6.475 3.583 1.00 0.00 H new ATOM 0 HA PHE A 25 12.883 -9.244 4.101 1.00 0.00 H new ATOM 0 HB2 PHE A 25 10.921 -7.988 2.176 1.00 0.00 H new ATOM 0 HB3 PHE A 25 11.200 -9.707 2.373 1.00 0.00 H new ATOM 0 HD1 PHE A 25 10.055 -6.643 4.138 1.00 0.00 H new ATOM 0 HD2 PHE A 25 9.975 -10.943 4.083 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.575 -6.623 6.125 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.544 -10.921 6.105 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.878 -8.779 7.161 1.00 0.00 H new ATOM 416 N ASP A 26 13.763 -9.645 1.518 1.00 0.00 N ATOM 417 CA ASP A 26 14.693 -9.830 0.401 1.00 0.00 C ATOM 418 C ASP A 26 13.951 -10.565 -0.700 1.00 0.00 C ATOM 419 O ASP A 26 13.079 -11.375 -0.382 1.00 0.00 O ATOM 420 CB ASP A 26 15.897 -10.672 0.830 1.00 0.00 C ATOM 421 CG ASP A 26 17.133 -10.338 -0.017 1.00 0.00 C ATOM 422 OD1 ASP A 26 17.192 -10.811 -1.175 1.00 0.00 O ATOM 423 OD2 ASP A 26 18.028 -9.604 0.465 1.00 0.00 O ATOM 0 H ASP A 26 13.150 -10.445 1.674 1.00 0.00 H new ATOM 0 HA ASP A 26 15.053 -8.859 0.062 1.00 0.00 H new ATOM 0 HB2 ASP A 26 16.114 -10.492 1.883 1.00 0.00 H new ATOM 0 HB3 ASP A 26 15.659 -11.731 0.730 1.00 0.00 H new ATOM 428 N ARG A 27 14.276 -10.328 -1.974 1.00 0.00 N ATOM 429 CA ARG A 27 13.572 -10.993 -3.072 1.00 0.00 C ATOM 430 C ARG A 27 13.648 -12.514 -2.943 1.00 0.00 C ATOM 431 O ARG A 27 12.670 -13.188 -3.247 1.00 0.00 O ATOM 432 CB ARG A 27 14.071 -10.496 -4.448 1.00 0.00 C ATOM 433 CG ARG A 27 15.525 -10.875 -4.793 1.00 0.00 C ATOM 434 CD ARG A 27 15.913 -10.429 -6.208 1.00 0.00 C ATOM 435 NE ARG A 27 17.307 -10.796 -6.515 1.00 0.00 N ATOM 436 CZ ARG A 27 17.819 -11.095 -7.720 1.00 0.00 C ATOM 437 NH1 ARG A 27 17.061 -11.071 -8.818 1.00 0.00 N ATOM 438 NH2 ARG A 27 19.104 -11.428 -7.822 1.00 0.00 N ATOM 0 H ARG A 27 15.014 -9.688 -2.268 1.00 0.00 H new ATOM 0 HA ARG A 27 12.518 -10.722 -3.003 1.00 0.00 H new ATOM 0 HB2 ARG A 27 13.415 -10.896 -5.221 1.00 0.00 H new ATOM 0 HB3 ARG A 27 13.978 -9.411 -4.480 1.00 0.00 H new ATOM 0 HG2 ARG A 27 16.200 -10.417 -4.070 1.00 0.00 H new ATOM 0 HG3 ARG A 27 15.649 -11.954 -4.706 1.00 0.00 H new ATOM 0 HD2 ARG A 27 15.244 -10.890 -6.934 1.00 0.00 H new ATOM 0 HD3 ARG A 27 15.789 -9.350 -6.300 1.00 0.00 H new ATOM 0 HE ARG A 27 17.953 -10.826 -5.726 1.00 0.00 H new ATOM 0 HH11 ARG A 27 16.074 -10.822 -8.751 1.00 0.00 H new ATOM 0 HH12 ARG A 27 17.469 -11.301 -9.724 1.00 0.00 H new ATOM 0 HH21 ARG A 27 19.692 -11.455 -6.989 1.00 0.00 H new ATOM 0 HH22 ARG A 27 19.501 -11.657 -8.733 1.00 0.00 H new ATOM 452 N GLU A 28 14.781 -13.046 -2.475 1.00 0.00 N ATOM 453 CA GLU A 28 14.939 -14.481 -2.275 1.00 0.00 C ATOM 454 C GLU A 28 14.186 -14.891 -1.008 1.00 0.00 C ATOM 455 O GLU A 28 13.443 -15.865 -1.003 1.00 0.00 O ATOM 456 CB GLU A 28 16.427 -14.841 -2.181 1.00 0.00 C ATOM 457 CG GLU A 28 17.153 -14.667 -3.521 1.00 0.00 C ATOM 458 CD GLU A 28 18.606 -15.175 -3.445 1.00 0.00 C ATOM 459 OE1 GLU A 28 18.849 -16.379 -3.708 1.00 0.00 O ATOM 460 OE2 GLU A 28 19.521 -14.372 -3.141 1.00 0.00 O ATOM 0 H GLU A 28 15.604 -12.497 -2.228 1.00 0.00 H new ATOM 0 HA GLU A 28 14.522 -15.024 -3.123 1.00 0.00 H new ATOM 0 HB2 GLU A 28 16.904 -14.214 -1.428 1.00 0.00 H new ATOM 0 HB3 GLU A 28 16.528 -15.873 -1.847 1.00 0.00 H new ATOM 0 HG2 GLU A 28 16.617 -15.209 -4.300 1.00 0.00 H new ATOM 0 HG3 GLU A 28 17.149 -13.615 -3.805 1.00 0.00 H new ATOM 467 N GLU A 29 14.332 -14.129 0.072 1.00 0.00 N ATOM 468 CA GLU A 29 13.780 -14.480 1.378 1.00 0.00 C ATOM 469 C GLU A 29 12.257 -14.594 1.340 1.00 0.00 C ATOM 470 O GLU A 29 11.700 -15.496 1.964 1.00 0.00 O ATOM 471 CB GLU A 29 14.233 -13.425 2.397 1.00 0.00 C ATOM 472 CG GLU A 29 15.725 -13.513 2.727 1.00 0.00 C ATOM 473 CD GLU A 29 16.025 -14.530 3.847 1.00 0.00 C ATOM 474 OE1 GLU A 29 15.975 -15.757 3.590 1.00 0.00 O ATOM 475 OE2 GLU A 29 16.309 -14.102 4.991 1.00 0.00 O ATOM 0 H GLU A 29 14.840 -13.245 0.066 1.00 0.00 H new ATOM 0 HA GLU A 29 14.153 -15.461 1.672 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.011 -12.432 2.006 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.656 -13.543 3.314 1.00 0.00 H new ATOM 0 HG2 GLU A 29 16.276 -13.793 1.829 1.00 0.00 H new ATOM 0 HG3 GLU A 29 16.086 -12.529 3.028 1.00 0.00 H new ATOM 482 N ILE A 30 11.609 -13.729 0.567 1.00 0.00 N ATOM 483 CA ILE A 30 10.170 -13.792 0.287 1.00 0.00 C ATOM 484 C ILE A 30 9.800 -15.176 -0.275 1.00 0.00 C ATOM 485 O ILE A 30 8.804 -15.759 0.157 1.00 0.00 O ATOM 486 CB ILE A 30 9.765 -12.664 -0.691 1.00 0.00 C ATOM 487 CG1 ILE A 30 9.948 -11.264 -0.064 1.00 0.00 C ATOM 488 CG2 ILE A 30 8.337 -12.821 -1.253 1.00 0.00 C ATOM 489 CD1 ILE A 30 8.741 -10.658 0.681 1.00 0.00 C ATOM 0 H ILE A 30 12.074 -12.947 0.106 1.00 0.00 H new ATOM 0 HA ILE A 30 9.619 -13.645 1.216 1.00 0.00 H new ATOM 0 HB ILE A 30 10.448 -12.758 -1.535 1.00 0.00 H new ATOM 0 HG12 ILE A 30 10.784 -11.314 0.633 1.00 0.00 H new ATOM 0 HG13 ILE A 30 10.235 -10.574 -0.858 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.120 -11.996 -1.931 1.00 0.00 H new ATOM 0 HG22 ILE A 30 8.260 -13.764 -1.793 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.620 -12.814 -0.432 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.009 -9.676 1.070 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.901 -10.559 -0.007 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.459 -11.310 1.507 1.00 0.00 H new ATOM 501 N TRP A 31 10.580 -15.713 -1.219 1.00 0.00 N ATOM 502 CA TRP A 31 10.308 -17.035 -1.788 1.00 0.00 C ATOM 503 C TRP A 31 10.558 -18.175 -0.790 1.00 0.00 C ATOM 504 O TRP A 31 9.946 -19.239 -0.927 1.00 0.00 O ATOM 505 CB TRP A 31 11.137 -17.285 -3.054 1.00 0.00 C ATOM 506 CG TRP A 31 10.885 -16.378 -4.219 1.00 0.00 C ATOM 507 CD1 TRP A 31 11.813 -15.623 -4.840 1.00 0.00 C ATOM 508 CD2 TRP A 31 9.642 -16.146 -4.951 1.00 0.00 C ATOM 509 NE1 TRP A 31 11.229 -14.892 -5.856 1.00 0.00 N ATOM 510 CE2 TRP A 31 9.882 -15.173 -5.967 1.00 0.00 C ATOM 511 CE3 TRP A 31 8.336 -16.672 -4.870 1.00 0.00 C ATOM 512 CZ2 TRP A 31 8.870 -14.713 -6.828 1.00 0.00 C ATOM 513 CZ3 TRP A 31 7.323 -16.248 -5.749 1.00 0.00 C ATOM 514 CH2 TRP A 31 7.576 -15.257 -6.718 1.00 0.00 C ATOM 0 H TRP A 31 11.404 -15.252 -1.604 1.00 0.00 H new ATOM 0 HA TRP A 31 9.248 -17.032 -2.042 1.00 0.00 H new ATOM 0 HB2 TRP A 31 12.192 -17.212 -2.789 1.00 0.00 H new ATOM 0 HB3 TRP A 31 10.960 -18.311 -3.378 1.00 0.00 H new ATOM 0 HD1 TRP A 31 12.861 -15.594 -4.581 1.00 0.00 H new ATOM 0 HE1 TRP A 31 11.729 -14.229 -6.449 1.00 0.00 H new ATOM 0 HE3 TRP A 31 8.109 -17.414 -4.119 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 9.083 -13.952 -7.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 6.339 -16.688 -5.680 1.00 0.00 H new ATOM 0 HH2 TRP A 31 6.785 -14.918 -7.370 1.00 0.00 H new ATOM 525 N TYR A 32 11.443 -17.986 0.197 1.00 0.00 N ATOM 526 CA TYR A 32 12.118 -19.090 0.883 1.00 0.00 C ATOM 527 C TYR A 32 11.870 -19.133 2.398 1.00 0.00 C ATOM 528 O TYR A 32 12.488 -19.940 3.093 1.00 0.00 O ATOM 529 CB TYR A 32 13.618 -19.039 0.535 1.00 0.00 C ATOM 530 CG TYR A 32 13.954 -19.152 -0.941 1.00 0.00 C ATOM 531 CD1 TYR A 32 13.297 -20.082 -1.770 1.00 0.00 C ATOM 532 CD2 TYR A 32 14.936 -18.311 -1.488 1.00 0.00 C ATOM 533 CE1 TYR A 32 13.580 -20.129 -3.145 1.00 0.00 C ATOM 534 CE2 TYR A 32 15.200 -18.324 -2.867 1.00 0.00 C ATOM 535 CZ TYR A 32 14.520 -19.233 -3.707 1.00 0.00 C ATOM 536 OH TYR A 32 14.780 -19.239 -5.048 1.00 0.00 O ATOM 0 H TYR A 32 11.710 -17.063 0.541 1.00 0.00 H new ATOM 0 HA TYR A 32 11.686 -20.024 0.523 1.00 0.00 H new ATOM 0 HB2 TYR A 32 14.028 -18.102 0.912 1.00 0.00 H new ATOM 0 HB3 TYR A 32 14.123 -19.845 1.067 1.00 0.00 H new ATOM 0 HD1 TYR A 32 12.573 -20.762 -1.347 1.00 0.00 H new ATOM 0 HD2 TYR A 32 15.493 -17.648 -0.843 1.00 0.00 H new ATOM 0 HE1 TYR A 32 13.079 -20.850 -3.774 1.00 0.00 H new ATOM 0 HE2 TYR A 32 15.923 -17.639 -3.285 1.00 0.00 H new ATOM 0 HH TYR A 32 15.451 -18.556 -5.254 1.00 0.00 H new ATOM 546 N ASN A 33 10.957 -18.315 2.928 1.00 0.00 N ATOM 547 CA ASN A 33 10.601 -18.270 4.341 1.00 0.00 C ATOM 548 C ASN A 33 9.080 -18.309 4.421 1.00 0.00 C ATOM 549 O ASN A 33 8.427 -17.301 4.157 1.00 0.00 O ATOM 550 CB ASN A 33 11.150 -16.987 4.967 1.00 0.00 C ATOM 551 CG ASN A 33 12.661 -16.997 5.094 1.00 0.00 C ATOM 552 OD1 ASN A 33 13.230 -17.460 6.081 1.00 0.00 O ATOM 553 ND2 ASN A 33 13.324 -16.473 4.084 1.00 0.00 N ATOM 0 H ASN A 33 10.431 -17.647 2.365 1.00 0.00 H new ATOM 0 HA ASN A 33 11.026 -19.112 4.887 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.846 -16.133 4.361 1.00 0.00 H new ATOM 0 HB3 ASN A 33 10.708 -16.851 5.954 1.00 0.00 H new ATOM 0 HD21 ASN A 33 14.343 -16.442 4.104 1.00 0.00 H new ATOM 0 HD22 ASN A 33 12.818 -16.098 3.281 1.00 0.00 H new ATOM 560 N ARG A 34 8.518 -19.487 4.717 1.00 0.00 N ATOM 561 CA ARG A 34 7.093 -19.826 4.559 1.00 0.00 C ATOM 562 C ARG A 34 6.108 -18.941 5.320 1.00 0.00 C ATOM 563 O ARG A 34 4.905 -18.990 5.061 1.00 0.00 O ATOM 564 CB ARG A 34 6.898 -21.288 4.947 1.00 0.00 C ATOM 565 CG ARG A 34 6.911 -21.576 6.456 1.00 0.00 C ATOM 566 CD ARG A 34 6.716 -23.080 6.625 1.00 0.00 C ATOM 567 NE ARG A 34 6.699 -23.473 8.045 1.00 0.00 N ATOM 568 CZ ARG A 34 6.460 -24.706 8.516 1.00 0.00 C ATOM 569 NH1 ARG A 34 6.207 -25.715 7.685 1.00 0.00 N ATOM 570 NH2 ARG A 34 6.470 -24.925 9.830 1.00 0.00 N ATOM 0 H ARG A 34 9.064 -20.264 5.089 1.00 0.00 H new ATOM 0 HA ARG A 34 6.856 -19.644 3.511 1.00 0.00 H new ATOM 0 HB2 ARG A 34 5.948 -21.632 4.537 1.00 0.00 H new ATOM 0 HB3 ARG A 34 7.682 -21.880 4.475 1.00 0.00 H new ATOM 0 HG2 ARG A 34 7.853 -21.257 6.901 1.00 0.00 H new ATOM 0 HG3 ARG A 34 6.117 -21.025 6.961 1.00 0.00 H new ATOM 0 HD2 ARG A 34 5.780 -23.381 6.153 1.00 0.00 H new ATOM 0 HD3 ARG A 34 7.517 -23.611 6.110 1.00 0.00 H new ATOM 0 HE ARG A 34 6.886 -22.742 8.731 1.00 0.00 H new ATOM 0 HH11 ARG A 34 6.193 -25.555 6.678 1.00 0.00 H new ATOM 0 HH12 ARG A 34 6.027 -26.648 8.056 1.00 0.00 H new ATOM 0 HH21 ARG A 34 6.659 -24.157 10.474 1.00 0.00 H new ATOM 0 HH22 ARG A 34 6.289 -25.861 10.192 1.00 0.00 H new ATOM 584 N GLU A 35 6.613 -18.199 6.291 1.00 0.00 N ATOM 585 CA GLU A 35 5.862 -17.290 7.134 1.00 0.00 C ATOM 586 C GLU A 35 6.256 -15.830 6.888 1.00 0.00 C ATOM 587 O GLU A 35 5.401 -14.949 6.994 1.00 0.00 O ATOM 588 CB GLU A 35 6.023 -17.699 8.607 1.00 0.00 C ATOM 589 CG GLU A 35 7.411 -17.495 9.244 1.00 0.00 C ATOM 590 CD GLU A 35 8.488 -18.434 8.670 1.00 0.00 C ATOM 591 OE1 GLU A 35 9.063 -18.105 7.604 1.00 0.00 O ATOM 592 OE2 GLU A 35 8.751 -19.503 9.272 1.00 0.00 O ATOM 0 H GLU A 35 7.606 -18.217 6.522 1.00 0.00 H new ATOM 0 HA GLU A 35 4.806 -17.362 6.875 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.295 -17.140 9.195 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.762 -18.753 8.696 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.723 -16.461 9.095 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.336 -17.654 10.320 1.00 0.00 H new ATOM 599 N ARG A 36 7.510 -15.545 6.518 1.00 0.00 N ATOM 600 CA ARG A 36 7.923 -14.185 6.194 1.00 0.00 C ATOM 601 C ARG A 36 7.453 -13.785 4.796 1.00 0.00 C ATOM 602 O ARG A 36 7.381 -12.598 4.491 1.00 0.00 O ATOM 603 CB ARG A 36 9.426 -14.009 6.364 1.00 0.00 C ATOM 604 CG ARG A 36 9.935 -14.211 7.803 1.00 0.00 C ATOM 605 CD ARG A 36 9.090 -13.511 8.881 1.00 0.00 C ATOM 606 NE ARG A 36 9.679 -13.666 10.221 1.00 0.00 N ATOM 607 CZ ARG A 36 9.063 -13.400 11.383 1.00 0.00 C ATOM 608 NH1 ARG A 36 7.813 -12.941 11.415 1.00 0.00 N ATOM 609 NH2 ARG A 36 9.711 -13.602 12.529 1.00 0.00 N ATOM 0 H ARG A 36 8.252 -16.241 6.437 1.00 0.00 H new ATOM 0 HA ARG A 36 7.441 -13.509 6.901 1.00 0.00 H new ATOM 0 HB2 ARG A 36 9.938 -14.714 5.709 1.00 0.00 H new ATOM 0 HB3 ARG A 36 9.701 -13.008 6.032 1.00 0.00 H new ATOM 0 HG2 ARG A 36 9.964 -15.279 8.018 1.00 0.00 H new ATOM 0 HG3 ARG A 36 10.960 -13.845 7.868 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.002 -12.451 8.643 1.00 0.00 H new ATOM 0 HD3 ARG A 36 8.081 -13.924 8.877 1.00 0.00 H new ATOM 0 HE ARG A 36 10.640 -14.005 10.271 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.305 -12.785 10.545 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.364 -12.746 12.310 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.668 -13.956 12.518 1.00 0.00 H new ATOM 0 HH22 ARG A 36 9.251 -13.403 13.417 1.00 0.00 H new ATOM 623 N SER A 37 7.101 -14.759 3.964 1.00 0.00 N ATOM 624 CA SER A 37 6.364 -14.547 2.741 1.00 0.00 C ATOM 625 C SER A 37 5.072 -13.779 3.053 1.00 0.00 C ATOM 626 O SER A 37 4.839 -12.702 2.507 1.00 0.00 O ATOM 627 CB SER A 37 6.089 -15.923 2.117 1.00 0.00 C ATOM 628 OG SER A 37 5.509 -16.799 3.073 1.00 0.00 O ATOM 0 H SER A 37 7.330 -15.739 4.133 1.00 0.00 H new ATOM 0 HA SER A 37 6.929 -13.946 2.028 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.420 -15.814 1.263 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.019 -16.350 1.741 1.00 0.00 H new ATOM 0 HG SER A 37 5.339 -17.670 2.658 1.00 0.00 H new ATOM 634 N GLU A 38 4.265 -14.316 3.973 1.00 0.00 N ATOM 635 CA GLU A 38 2.909 -13.894 4.282 1.00 0.00 C ATOM 636 C GLU A 38 2.821 -12.417 4.678 1.00 0.00 C ATOM 637 O GLU A 38 1.821 -11.768 4.380 1.00 0.00 O ATOM 638 CB GLU A 38 2.368 -14.824 5.379 1.00 0.00 C ATOM 639 CG GLU A 38 0.847 -14.925 5.303 1.00 0.00 C ATOM 640 CD GLU A 38 0.278 -15.794 6.441 1.00 0.00 C ATOM 641 OE1 GLU A 38 0.202 -17.036 6.273 1.00 0.00 O ATOM 642 OE2 GLU A 38 -0.117 -15.243 7.497 1.00 0.00 O ATOM 0 H GLU A 38 4.564 -15.101 4.551 1.00 0.00 H new ATOM 0 HA GLU A 38 2.292 -13.975 3.387 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.809 -15.815 5.271 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.663 -14.448 6.359 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.413 -13.927 5.355 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.558 -15.349 4.341 1.00 0.00 H new ATOM 649 N GLU A 39 3.861 -11.865 5.304 1.00 0.00 N ATOM 650 CA GLU A 39 3.899 -10.495 5.782 1.00 0.00 C ATOM 651 C GLU A 39 3.685 -9.505 4.635 1.00 0.00 C ATOM 652 O GLU A 39 3.032 -8.481 4.819 1.00 0.00 O ATOM 653 CB GLU A 39 5.254 -10.201 6.440 1.00 0.00 C ATOM 654 CG GLU A 39 5.897 -11.325 7.257 1.00 0.00 C ATOM 655 CD GLU A 39 5.233 -11.674 8.603 1.00 0.00 C ATOM 656 OE1 GLU A 39 4.033 -11.372 8.825 1.00 0.00 O ATOM 657 OE2 GLU A 39 5.950 -12.237 9.471 1.00 0.00 O ATOM 0 H GLU A 39 4.721 -12.379 5.495 1.00 0.00 H new ATOM 0 HA GLU A 39 3.096 -10.377 6.510 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.954 -9.911 5.656 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.131 -9.337 7.093 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.913 -12.225 6.643 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.935 -11.053 7.451 1.00 0.00 H new ATOM 664 N LEU A 40 4.214 -9.825 3.450 1.00 0.00 N ATOM 665 CA LEU A 40 3.993 -9.051 2.231 1.00 0.00 C ATOM 666 C LEU A 40 2.486 -8.932 1.988 1.00 0.00 C ATOM 667 O LEU A 40 1.935 -7.837 1.883 1.00 0.00 O ATOM 668 CB LEU A 40 4.711 -9.740 1.055 1.00 0.00 C ATOM 669 CG LEU A 40 4.659 -9.075 -0.346 1.00 0.00 C ATOM 670 CD1 LEU A 40 4.147 -10.074 -1.385 1.00 0.00 C ATOM 671 CD2 LEU A 40 3.864 -7.766 -0.465 1.00 0.00 C ATOM 0 H LEU A 40 4.814 -10.638 3.312 1.00 0.00 H new ATOM 0 HA LEU A 40 4.403 -8.046 2.329 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.760 -9.851 1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.298 -10.744 0.959 1.00 0.00 H new ATOM 0 HG LEU A 40 5.693 -8.785 -0.531 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.115 -9.596 -2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.815 -10.934 -1.423 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.146 -10.404 -1.109 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.907 -7.406 -1.493 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.826 -7.944 -0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.295 -7.017 0.200 1.00 0.00 H new ATOM 683 N PHE A 41 1.813 -10.073 1.921 1.00 0.00 N ATOM 684 CA PHE A 41 0.403 -10.166 1.609 1.00 0.00 C ATOM 685 C PHE A 41 -0.417 -9.450 2.690 1.00 0.00 C ATOM 686 O PHE A 41 -1.406 -8.783 2.384 1.00 0.00 O ATOM 687 CB PHE A 41 0.020 -11.639 1.428 1.00 0.00 C ATOM 688 CG PHE A 41 0.899 -12.337 0.403 1.00 0.00 C ATOM 689 CD1 PHE A 41 2.152 -12.835 0.796 1.00 0.00 C ATOM 690 CD2 PHE A 41 0.533 -12.388 -0.954 1.00 0.00 C ATOM 691 CE1 PHE A 41 3.042 -13.373 -0.149 1.00 0.00 C ATOM 692 CE2 PHE A 41 1.417 -12.946 -1.897 1.00 0.00 C ATOM 693 CZ PHE A 41 2.668 -13.440 -1.499 1.00 0.00 C ATOM 0 H PHE A 41 2.249 -10.980 2.087 1.00 0.00 H new ATOM 0 HA PHE A 41 0.180 -9.662 0.669 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.101 -12.154 2.385 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.022 -11.706 1.117 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.435 -12.804 1.838 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.424 -12.000 -1.272 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.011 -13.734 0.163 1.00 0.00 H new ATOM 0 HE2 PHE A 41 1.129 -12.994 -2.937 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.339 -13.869 -2.228 1.00 0.00 H new ATOM 703 N TRP A 42 0.014 -9.527 3.951 1.00 0.00 N ATOM 704 CA TRP A 42 -0.575 -8.722 5.011 1.00 0.00 C ATOM 705 C TRP A 42 -0.401 -7.212 4.778 1.00 0.00 C ATOM 706 O TRP A 42 -1.342 -6.465 5.047 1.00 0.00 O ATOM 707 CB TRP A 42 -0.033 -9.159 6.373 1.00 0.00 C ATOM 708 CG TRP A 42 -0.665 -10.414 6.892 1.00 0.00 C ATOM 709 CD1 TRP A 42 -0.072 -11.624 6.981 1.00 0.00 C ATOM 710 CD2 TRP A 42 -2.038 -10.613 7.352 1.00 0.00 C ATOM 711 NE1 TRP A 42 -0.970 -12.551 7.463 1.00 0.00 N ATOM 712 CE2 TRP A 42 -2.207 -11.989 7.697 1.00 0.00 C ATOM 713 CE3 TRP A 42 -3.163 -9.772 7.491 1.00 0.00 C ATOM 714 CZ2 TRP A 42 -3.431 -12.499 8.156 1.00 0.00 C ATOM 715 CZ3 TRP A 42 -4.398 -10.277 7.948 1.00 0.00 C ATOM 716 CH2 TRP A 42 -4.533 -11.637 8.277 1.00 0.00 C ATOM 0 H TRP A 42 0.769 -10.140 4.258 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.651 -8.899 4.998 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.044 -9.309 6.296 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.192 -8.357 7.093 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.953 -11.834 6.714 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -0.747 -13.533 7.627 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.077 -8.724 7.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -3.525 -13.544 8.414 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -5.245 -9.615 8.046 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -5.483 -12.018 8.622 1.00 0.00 H new ATOM 727 N GLU A 43 0.739 -6.733 4.269 1.00 0.00 N ATOM 728 CA GLU A 43 0.979 -5.309 4.048 1.00 0.00 C ATOM 729 C GLU A 43 0.069 -4.772 2.936 1.00 0.00 C ATOM 730 O GLU A 43 -0.380 -3.625 3.005 1.00 0.00 O ATOM 731 CB GLU A 43 2.453 -5.048 3.682 1.00 0.00 C ATOM 732 CG GLU A 43 3.445 -5.329 4.825 1.00 0.00 C ATOM 733 CD GLU A 43 3.961 -4.034 5.473 1.00 0.00 C ATOM 734 OE1 GLU A 43 3.229 -3.424 6.288 1.00 0.00 O ATOM 735 OE2 GLU A 43 5.099 -3.619 5.149 1.00 0.00 O ATOM 0 H GLU A 43 1.523 -7.327 3.999 1.00 0.00 H new ATOM 0 HA GLU A 43 0.751 -4.787 4.977 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.718 -5.667 2.825 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.560 -4.009 3.370 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.960 -5.945 5.582 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.288 -5.902 4.440 1.00 0.00 H new ATOM 742 N VAL A 44 -0.234 -5.567 1.906 1.00 0.00 N ATOM 743 CA VAL A 44 -1.113 -5.129 0.840 1.00 0.00 C ATOM 744 C VAL A 44 -2.579 -5.177 1.259 1.00 0.00 C ATOM 745 O VAL A 44 -3.340 -4.265 0.947 1.00 0.00 O ATOM 746 CB VAL A 44 -0.867 -5.928 -0.430 1.00 0.00 C ATOM 747 CG1 VAL A 44 0.497 -5.534 -0.995 1.00 0.00 C ATOM 748 CG2 VAL A 44 -0.868 -7.436 -0.263 1.00 0.00 C ATOM 0 H VAL A 44 0.121 -6.517 1.796 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.879 -4.086 0.628 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.702 -5.687 -1.088 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.690 -6.098 -1.907 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.503 -4.467 -1.220 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.272 -5.755 -0.261 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.684 -7.909 -1.228 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.085 -7.725 0.438 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.836 -7.759 0.120 1.00 0.00 H new ATOM 758 N MET A 45 -2.982 -6.204 1.999 1.00 0.00 N ATOM 759 CA MET A 45 -4.285 -6.228 2.641 1.00 0.00 C ATOM 760 C MET A 45 -4.452 -5.001 3.536 1.00 0.00 C ATOM 761 O MET A 45 -5.504 -4.362 3.517 1.00 0.00 O ATOM 762 CB MET A 45 -4.470 -7.527 3.440 1.00 0.00 C ATOM 763 CG MET A 45 -5.373 -8.484 2.668 1.00 0.00 C ATOM 764 SD MET A 45 -4.780 -8.996 1.024 1.00 0.00 S ATOM 765 CE MET A 45 -6.282 -8.723 0.047 1.00 0.00 C ATOM 0 H MET A 45 -2.417 -7.036 2.168 1.00 0.00 H new ATOM 0 HA MET A 45 -5.057 -6.198 1.872 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.502 -7.993 3.623 1.00 0.00 H new ATOM 0 HB3 MET A 45 -4.907 -7.307 4.414 1.00 0.00 H new ATOM 0 HG2 MET A 45 -5.521 -9.379 3.273 1.00 0.00 H new ATOM 0 HG3 MET A 45 -6.349 -8.014 2.549 1.00 0.00 H new ATOM 0 HE1 MET A 45 -6.093 -8.989 -0.993 1.00 0.00 H new ATOM 0 HE2 MET A 45 -7.089 -9.342 0.439 1.00 0.00 H new ATOM 0 HE3 MET A 45 -6.569 -7.673 0.107 1.00 0.00 H new ATOM 775 N ASP A 46 -3.416 -4.640 4.289 1.00 0.00 N ATOM 776 CA ASP A 46 -3.412 -3.437 5.111 1.00 0.00 C ATOM 777 C ASP A 46 -3.622 -2.171 4.271 1.00 0.00 C ATOM 778 O ASP A 46 -4.403 -1.300 4.654 1.00 0.00 O ATOM 779 CB ASP A 46 -2.125 -3.307 5.920 1.00 0.00 C ATOM 780 CG ASP A 46 -2.174 -2.032 6.777 1.00 0.00 C ATOM 781 OD1 ASP A 46 -2.889 -2.023 7.807 1.00 0.00 O ATOM 782 OD2 ASP A 46 -1.481 -1.044 6.435 1.00 0.00 O ATOM 0 H ASP A 46 -2.551 -5.178 4.345 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.249 -3.538 5.802 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -1.997 -4.181 6.559 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.266 -3.273 5.250 1.00 0.00 H new ATOM 787 N GLU A 47 -3.006 -2.098 3.088 1.00 0.00 N ATOM 788 CA GLU A 47 -3.200 -1.034 2.111 1.00 0.00 C ATOM 789 C GLU A 47 -4.657 -0.934 1.612 1.00 0.00 C ATOM 790 O GLU A 47 -5.019 0.048 0.963 1.00 0.00 O ATOM 791 CB GLU A 47 -2.247 -1.278 0.924 1.00 0.00 C ATOM 792 CG GLU A 47 -1.030 -0.359 0.861 1.00 0.00 C ATOM 793 CD GLU A 47 -1.411 1.119 0.656 1.00 0.00 C ATOM 794 OE1 GLU A 47 -1.608 1.547 -0.507 1.00 0.00 O ATOM 795 OE2 GLU A 47 -1.490 1.872 1.657 1.00 0.00 O ATOM 0 H GLU A 47 -2.337 -2.803 2.778 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.978 -0.085 2.599 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.900 -2.310 0.965 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.812 -1.169 -0.002 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.457 -0.458 1.783 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.380 -0.679 0.046 1.00 0.00 H new ATOM 802 N VAL A 48 -5.497 -1.924 1.922 1.00 0.00 N ATOM 803 CA VAL A 48 -6.897 -2.030 1.516 1.00 0.00 C ATOM 804 C VAL A 48 -7.791 -2.154 2.769 1.00 0.00 C ATOM 805 O VAL A 48 -8.999 -2.346 2.656 1.00 0.00 O ATOM 806 CB VAL A 48 -7.059 -3.217 0.526 1.00 0.00 C ATOM 807 CG1 VAL A 48 -8.454 -3.263 -0.110 1.00 0.00 C ATOM 808 CG2 VAL A 48 -6.085 -3.172 -0.666 1.00 0.00 C ATOM 0 H VAL A 48 -5.201 -2.715 2.494 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.217 -1.131 0.989 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.862 -4.086 1.154 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.515 -4.110 -0.793 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.207 -3.372 0.671 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.633 -2.340 -0.661 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.260 -4.033 -1.311 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.246 -2.255 -1.233 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.059 -3.196 -0.299 1.00 0.00 H new ATOM 818 N HIS A 49 -7.237 -2.047 3.980 1.00 0.00 N ATOM 819 CA HIS A 49 -7.945 -2.436 5.195 1.00 0.00 C ATOM 820 C HIS A 49 -9.282 -1.710 5.399 1.00 0.00 C ATOM 821 O HIS A 49 -10.216 -2.315 5.919 1.00 0.00 O ATOM 822 CB HIS A 49 -7.060 -2.304 6.435 1.00 0.00 C ATOM 823 CG HIS A 49 -7.616 -3.029 7.637 1.00 0.00 C ATOM 824 ND1 HIS A 49 -7.746 -2.531 8.915 1.00 0.00 N ATOM 825 CD2 HIS A 49 -8.108 -4.307 7.649 1.00 0.00 C ATOM 826 CE1 HIS A 49 -8.304 -3.488 9.677 1.00 0.00 C ATOM 827 NE2 HIS A 49 -8.542 -4.599 8.949 1.00 0.00 N ATOM 0 H HIS A 49 -6.295 -1.692 4.142 1.00 0.00 H new ATOM 0 HA HIS A 49 -8.191 -3.488 5.053 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -6.068 -2.694 6.209 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -6.940 -1.248 6.678 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -8.154 -4.975 6.802 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -8.531 -3.382 10.728 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -8.954 -5.472 9.278 1.00 0.00 H new ATOM 835 N GLU A 50 -9.403 -0.457 4.947 1.00 0.00 N ATOM 836 CA GLU A 50 -10.636 0.323 5.058 1.00 0.00 C ATOM 837 C GLU A 50 -11.804 -0.278 4.252 1.00 0.00 C ATOM 838 O GLU A 50 -12.955 0.125 4.443 1.00 0.00 O ATOM 839 CB GLU A 50 -10.387 1.772 4.612 1.00 0.00 C ATOM 840 CG GLU A 50 -9.398 2.518 5.521 1.00 0.00 C ATOM 841 CD GLU A 50 -9.267 3.999 5.118 1.00 0.00 C ATOM 842 OE1 GLU A 50 -8.412 4.327 4.258 1.00 0.00 O ATOM 843 OE2 GLU A 50 -10.006 4.852 5.671 1.00 0.00 O ATOM 0 H GLU A 50 -8.642 0.046 4.491 1.00 0.00 H new ATOM 0 HA GLU A 50 -10.928 0.299 6.108 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.005 1.772 3.591 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.335 2.310 4.597 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.732 2.450 6.556 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.421 2.038 5.469 1.00 0.00 H new ATOM 850 N GLU A 51 -11.526 -1.238 3.367 1.00 0.00 N ATOM 851 CA GLU A 51 -12.501 -1.988 2.593 1.00 0.00 C ATOM 852 C GLU A 51 -12.475 -3.470 2.995 1.00 0.00 C ATOM 853 O GLU A 51 -13.528 -4.105 3.096 1.00 0.00 O ATOM 854 CB GLU A 51 -12.188 -1.828 1.101 1.00 0.00 C ATOM 855 CG GLU A 51 -12.469 -0.397 0.629 1.00 0.00 C ATOM 856 CD GLU A 51 -12.020 -0.198 -0.827 1.00 0.00 C ATOM 857 OE1 GLU A 51 -12.792 -0.514 -1.764 1.00 0.00 O ATOM 858 OE2 GLU A 51 -10.879 0.264 -1.063 1.00 0.00 O ATOM 0 H GLU A 51 -10.567 -1.522 3.166 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.500 -1.602 2.794 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.143 -2.076 0.917 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -12.789 -2.530 0.523 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.534 -0.184 0.717 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.948 0.311 1.274 1.00 0.00 H new ATOM 865 N GLU A 52 -11.291 -4.027 3.285 1.00 0.00 N ATOM 866 CA GLU A 52 -11.172 -5.387 3.797 1.00 0.00 C ATOM 867 C GLU A 52 -11.950 -5.549 5.111 1.00 0.00 C ATOM 868 O GLU A 52 -12.474 -6.630 5.354 1.00 0.00 O ATOM 869 CB GLU A 52 -9.712 -5.815 3.970 1.00 0.00 C ATOM 870 CG GLU A 52 -8.983 -6.026 2.635 1.00 0.00 C ATOM 871 CD GLU A 52 -9.538 -7.177 1.768 1.00 0.00 C ATOM 872 OE1 GLU A 52 -10.041 -8.187 2.313 1.00 0.00 O ATOM 873 OE2 GLU A 52 -9.453 -7.078 0.520 1.00 0.00 O ATOM 0 H GLU A 52 -10.399 -3.546 3.170 1.00 0.00 H new ATOM 0 HA GLU A 52 -11.613 -6.048 3.051 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.184 -5.058 4.550 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.677 -6.739 4.546 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.032 -5.101 2.060 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.930 -6.219 2.839 1.00 0.00 H new ATOM 880 N GLU A 53 -12.112 -4.503 5.928 1.00 0.00 N ATOM 881 CA GLU A 53 -12.883 -4.565 7.171 1.00 0.00 C ATOM 882 C GLU A 53 -14.358 -4.971 6.971 1.00 0.00 C ATOM 883 O GLU A 53 -15.017 -5.330 7.951 1.00 0.00 O ATOM 884 CB GLU A 53 -12.775 -3.242 7.950 1.00 0.00 C ATOM 885 CG GLU A 53 -13.430 -2.044 7.247 1.00 0.00 C ATOM 886 CD GLU A 53 -13.455 -0.808 8.165 1.00 0.00 C ATOM 887 OE1 GLU A 53 -12.423 -0.104 8.294 1.00 0.00 O ATOM 888 OE2 GLU A 53 -14.518 -0.530 8.777 1.00 0.00 O ATOM 0 H GLU A 53 -11.709 -3.585 5.743 1.00 0.00 H new ATOM 0 HA GLU A 53 -12.434 -5.364 7.762 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -13.236 -3.371 8.929 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -11.722 -3.018 8.120 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -12.883 -1.811 6.333 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -14.447 -2.303 6.953 1.00 0.00 H new ATOM 895 N PHE A 54 -14.873 -4.963 5.734 1.00 0.00 N ATOM 896 CA PHE A 54 -16.210 -5.445 5.386 1.00 0.00 C ATOM 897 C PHE A 54 -16.163 -6.514 4.279 1.00 0.00 C ATOM 898 O PHE A 54 -17.202 -6.858 3.708 1.00 0.00 O ATOM 899 CB PHE A 54 -17.155 -4.266 5.089 1.00 0.00 C ATOM 900 CG PHE A 54 -16.765 -3.316 3.967 1.00 0.00 C ATOM 901 CD1 PHE A 54 -16.948 -3.683 2.618 1.00 0.00 C ATOM 902 CD2 PHE A 54 -16.289 -2.027 4.274 1.00 0.00 C ATOM 903 CE1 PHE A 54 -16.640 -2.774 1.588 1.00 0.00 C ATOM 904 CE2 PHE A 54 -15.998 -1.113 3.244 1.00 0.00 C ATOM 905 CZ PHE A 54 -16.171 -1.486 1.901 1.00 0.00 C ATOM 0 H PHE A 54 -14.355 -4.611 4.929 1.00 0.00 H new ATOM 0 HA PHE A 54 -16.633 -5.958 6.249 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -18.139 -4.674 4.857 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -17.260 -3.681 6.003 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -17.326 -4.665 2.374 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -16.146 -1.738 5.305 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -16.764 -3.066 0.556 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -15.641 -0.123 3.487 1.00 0.00 H new ATOM 0 HZ PHE A 54 -15.944 -0.785 1.111 1.00 0.00 H new ATOM 915 N ALA A 55 -14.977 -7.075 4.007 1.00 0.00 N ATOM 916 CA ALA A 55 -14.774 -8.178 3.071 1.00 0.00 C ATOM 917 C ALA A 55 -13.980 -9.337 3.677 1.00 0.00 C ATOM 918 O ALA A 55 -13.853 -10.380 3.031 1.00 0.00 O ATOM 919 CB ALA A 55 -14.126 -7.667 1.779 1.00 0.00 C ATOM 0 H ALA A 55 -14.111 -6.762 4.447 1.00 0.00 H new ATOM 0 HA ALA A 55 -15.757 -8.583 2.833 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -13.981 -8.500 1.091 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -14.774 -6.923 1.316 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -13.162 -7.215 2.010 1.00 0.00 H new ATOM 925 N VAL A 56 -13.495 -9.204 4.912 1.00 0.00 N ATOM 926 CA VAL A 56 -12.787 -10.243 5.641 1.00 0.00 C ATOM 927 C VAL A 56 -13.771 -11.267 6.228 1.00 0.00 C ATOM 928 O VAL A 56 -13.941 -11.427 7.438 1.00 0.00 O ATOM 929 CB VAL A 56 -11.774 -9.595 6.606 1.00 0.00 C ATOM 930 CG1 VAL A 56 -12.384 -8.769 7.748 1.00 0.00 C ATOM 931 CG2 VAL A 56 -10.849 -10.679 7.149 1.00 0.00 C ATOM 0 H VAL A 56 -13.590 -8.340 5.445 1.00 0.00 H new ATOM 0 HA VAL A 56 -12.173 -10.855 4.980 1.00 0.00 H new ATOM 0 HB VAL A 56 -11.220 -8.861 6.020 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.586 -8.358 8.367 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -12.976 -7.954 7.332 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -13.024 -9.407 8.357 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.128 -10.232 7.833 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.438 -11.427 7.680 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -10.320 -11.153 6.323 1.00 0.00 H new ATOM 941 N GLU A 57 -14.491 -11.930 5.329 1.00 0.00 N ATOM 942 CA GLU A 57 -15.642 -12.766 5.639 1.00 0.00 C ATOM 943 C GLU A 57 -15.888 -13.746 4.476 1.00 0.00 C ATOM 944 O GLU A 57 -17.023 -14.096 4.146 1.00 0.00 O ATOM 945 CB GLU A 57 -16.835 -11.850 5.962 1.00 0.00 C ATOM 946 CG GLU A 57 -17.081 -10.743 4.923 1.00 0.00 C ATOM 947 CD GLU A 57 -18.524 -10.214 5.005 1.00 0.00 C ATOM 948 OE1 GLU A 57 -18.826 -9.382 5.893 1.00 0.00 O ATOM 949 OE2 GLU A 57 -19.376 -10.625 4.182 1.00 0.00 O ATOM 0 H GLU A 57 -14.281 -11.898 4.331 1.00 0.00 H new ATOM 0 HA GLU A 57 -15.474 -13.386 6.520 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -17.734 -12.460 6.046 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -16.671 -11.389 6.936 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -16.381 -9.924 5.087 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -16.889 -11.130 3.922 1.00 0.00 H new ATOM 956 N GLY A 58 -14.802 -14.158 3.816 1.00 0.00 N ATOM 957 CA GLY A 58 -14.794 -15.042 2.657 1.00 0.00 C ATOM 958 C GLY A 58 -13.372 -15.544 2.398 1.00 0.00 C ATOM 959 O GLY A 58 -12.457 -15.241 3.174 1.00 0.00 O ATOM 0 H GLY A 58 -13.863 -13.869 4.091 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -15.462 -15.886 2.827 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -15.167 -14.512 1.781 1.00 0.00 H new ATOM 963 N PRO A 59 -13.180 -16.326 1.326 1.00 0.00 N ATOM 964 CA PRO A 59 -11.886 -16.887 0.968 1.00 0.00 C ATOM 965 C PRO A 59 -10.928 -15.803 0.461 1.00 0.00 C ATOM 966 O PRO A 59 -11.337 -14.681 0.158 1.00 0.00 O ATOM 967 CB PRO A 59 -12.195 -17.934 -0.104 1.00 0.00 C ATOM 968 CG PRO A 59 -13.438 -17.370 -0.781 1.00 0.00 C ATOM 969 CD PRO A 59 -14.196 -16.719 0.363 1.00 0.00 C ATOM 0 HA PRO A 59 -11.378 -17.332 1.824 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -11.369 -18.049 -0.806 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -12.382 -18.915 0.332 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -13.181 -16.647 -1.556 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -14.026 -18.154 -1.259 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -14.764 -15.855 0.017 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -14.910 -17.413 0.806 1.00 0.00 H new ATOM 977 N LEU A 60 -9.661 -16.180 0.286 1.00 0.00 N ATOM 978 CA LEU A 60 -8.612 -15.370 -0.333 1.00 0.00 C ATOM 979 C LEU A 60 -7.827 -16.299 -1.252 1.00 0.00 C ATOM 980 O LEU A 60 -7.675 -17.490 -0.955 1.00 0.00 O ATOM 981 CB LEU A 60 -7.683 -14.788 0.747 1.00 0.00 C ATOM 982 CG LEU A 60 -6.612 -13.800 0.230 1.00 0.00 C ATOM 983 CD1 LEU A 60 -7.220 -12.540 -0.401 1.00 0.00 C ATOM 984 CD2 LEU A 60 -5.701 -13.372 1.385 1.00 0.00 C ATOM 0 H LEU A 60 -9.324 -17.096 0.584 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.039 -14.535 -0.888 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.293 -14.280 1.493 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.180 -15.612 1.254 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.049 -14.326 -0.541 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.421 -11.884 -0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.847 -12.823 -1.246 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.824 -12.017 0.340 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.948 -12.676 1.016 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.297 -12.886 2.157 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.209 -14.249 1.805 1.00 0.00 H new ATOM 996 N TRP A 61 -7.306 -15.745 -2.343 1.00 0.00 N ATOM 997 CA TRP A 61 -6.638 -16.477 -3.405 1.00 0.00 C ATOM 998 C TRP A 61 -5.412 -15.675 -3.815 1.00 0.00 C ATOM 999 O TRP A 61 -5.466 -14.444 -3.767 1.00 0.00 O ATOM 1000 CB TRP A 61 -7.618 -16.570 -4.581 1.00 0.00 C ATOM 1001 CG TRP A 61 -8.909 -17.284 -4.322 1.00 0.00 C ATOM 1002 CD1 TRP A 61 -10.025 -16.745 -3.777 1.00 0.00 C ATOM 1003 CD2 TRP A 61 -9.246 -18.670 -4.616 1.00 0.00 C ATOM 1004 NE1 TRP A 61 -11.019 -17.705 -3.705 1.00 0.00 N ATOM 1005 CE2 TRP A 61 -10.589 -18.915 -4.210 1.00 0.00 C ATOM 1006 CE3 TRP A 61 -8.539 -19.741 -5.199 1.00 0.00 C ATOM 1007 CZ2 TRP A 61 -11.198 -20.170 -4.372 1.00 0.00 C ATOM 1008 CZ3 TRP A 61 -9.137 -21.005 -5.364 1.00 0.00 C ATOM 1009 CH2 TRP A 61 -10.466 -21.218 -4.952 1.00 0.00 C ATOM 0 H TRP A 61 -7.340 -14.740 -2.514 1.00 0.00 H new ATOM 0 HA TRP A 61 -6.336 -17.476 -3.091 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -7.849 -15.558 -4.913 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -7.112 -17.069 -5.408 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -10.124 -15.721 -3.448 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -11.952 -17.539 -3.327 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -7.521 -19.589 -5.525 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -12.218 -20.327 -4.054 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -8.575 -21.813 -5.808 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -10.923 -22.188 -5.082 1.00 0.00 H new ATOM 1020 N ILE A 62 -4.335 -16.330 -4.252 1.00 0.00 N ATOM 1021 CA ILE A 62 -3.054 -15.690 -4.550 1.00 0.00 C ATOM 1022 C ILE A 62 -2.488 -16.322 -5.832 1.00 0.00 C ATOM 1023 O ILE A 62 -2.565 -17.543 -5.997 1.00 0.00 O ATOM 1024 CB ILE A 62 -2.050 -15.889 -3.373 1.00 0.00 C ATOM 1025 CG1 ILE A 62 -2.598 -15.858 -1.920 1.00 0.00 C ATOM 1026 CG2 ILE A 62 -0.851 -14.929 -3.503 1.00 0.00 C ATOM 1027 CD1 ILE A 62 -3.026 -14.506 -1.331 1.00 0.00 C ATOM 0 H ILE A 62 -4.329 -17.337 -4.411 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.203 -14.619 -4.686 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.754 -16.930 -3.503 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.457 -16.527 -1.875 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.833 -16.277 -1.267 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.166 -15.088 -2.670 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.332 -15.121 -4.442 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.207 -13.899 -3.489 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.385 -14.650 -0.312 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.174 -13.827 -1.323 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.824 -14.080 -1.940 1.00 0.00 H new ATOM 1039 N GLN A 63 -1.866 -15.518 -6.702 1.00 0.00 N ATOM 1040 CA GLN A 63 -0.880 -15.988 -7.683 1.00 0.00 C ATOM 1041 C GLN A 63 0.221 -14.929 -7.850 1.00 0.00 C ATOM 1042 O GLN A 63 0.030 -13.772 -7.480 1.00 0.00 O ATOM 1043 CB GLN A 63 -1.556 -16.374 -9.017 1.00 0.00 C ATOM 1044 CG GLN A 63 -2.298 -15.219 -9.704 1.00 0.00 C ATOM 1045 CD GLN A 63 -2.844 -15.626 -11.074 1.00 0.00 C ATOM 1046 OE1 GLN A 63 -2.189 -15.440 -12.097 1.00 0.00 O ATOM 1047 NE2 GLN A 63 -4.045 -16.186 -11.135 1.00 0.00 N ATOM 0 H GLN A 63 -2.034 -14.513 -6.746 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.408 -16.900 -7.318 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -0.797 -16.759 -9.698 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.260 -17.185 -8.833 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.120 -14.887 -9.070 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.623 -14.371 -9.820 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.582 -16.337 -10.281 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.432 -16.466 -12.036 1.00 0.00 H new ATOM 1056 N VAL A 64 1.380 -15.297 -8.396 1.00 0.00 N ATOM 1057 CA VAL A 64 2.555 -14.427 -8.449 1.00 0.00 C ATOM 1058 C VAL A 64 3.422 -14.797 -9.654 1.00 0.00 C ATOM 1059 O VAL A 64 3.373 -15.937 -10.127 1.00 0.00 O ATOM 1060 CB VAL A 64 3.298 -14.509 -7.098 1.00 0.00 C ATOM 1061 CG1 VAL A 64 3.931 -15.880 -6.846 1.00 0.00 C ATOM 1062 CG2 VAL A 64 4.358 -13.413 -6.949 1.00 0.00 C ATOM 0 H VAL A 64 1.531 -16.214 -8.817 1.00 0.00 H new ATOM 0 HA VAL A 64 2.268 -13.385 -8.594 1.00 0.00 H new ATOM 0 HB VAL A 64 2.528 -14.352 -6.342 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.438 -15.875 -5.881 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.154 -16.645 -6.843 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.652 -16.098 -7.634 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.852 -13.514 -5.983 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.096 -13.510 -7.746 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.881 -12.435 -7.013 1.00 0.00 H new ATOM 1072 N GLN A 65 4.253 -13.862 -10.118 1.00 0.00 N ATOM 1073 CA GLN A 65 5.374 -14.148 -10.984 1.00 0.00 C ATOM 1074 C GLN A 65 6.510 -13.202 -10.630 1.00 0.00 C ATOM 1075 O GLN A 65 6.272 -12.065 -10.217 1.00 0.00 O ATOM 1076 CB GLN A 65 4.981 -13.996 -12.459 1.00 0.00 C ATOM 1077 CG GLN A 65 4.273 -12.682 -12.825 1.00 0.00 C ATOM 1078 CD GLN A 65 2.754 -12.820 -12.841 1.00 0.00 C ATOM 1079 OE1 GLN A 65 2.172 -13.354 -13.783 1.00 0.00 O ATOM 1080 NE2 GLN A 65 2.066 -12.336 -11.820 1.00 0.00 N ATOM 0 H GLN A 65 4.155 -12.872 -9.893 1.00 0.00 H new ATOM 0 HA GLN A 65 5.693 -15.180 -10.839 1.00 0.00 H new ATOM 0 HB2 GLN A 65 5.881 -14.085 -13.067 1.00 0.00 H new ATOM 0 HB3 GLN A 65 4.330 -14.827 -12.730 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.557 -11.909 -12.110 1.00 0.00 H new ATOM 0 HG3 GLN A 65 4.615 -12.350 -13.806 1.00 0.00 H new ATOM 0 HE21 GLN A 65 2.553 -11.894 -11.041 1.00 0.00 H new ATOM 0 HE22 GLN A 65 1.048 -12.405 -11.812 1.00 0.00 H new ATOM 1089 N ALA A 66 7.737 -13.673 -10.824 1.00 0.00 N ATOM 1090 CA ALA A 66 8.923 -12.830 -10.845 1.00 0.00 C ATOM 1091 C ALA A 66 9.028 -12.145 -12.211 1.00 0.00 C ATOM 1092 O ALA A 66 8.675 -12.728 -13.241 1.00 0.00 O ATOM 1093 CB ALA A 66 10.170 -13.684 -10.597 1.00 0.00 C ATOM 0 H ALA A 66 7.936 -14.662 -10.973 1.00 0.00 H new ATOM 0 HA ALA A 66 8.849 -12.075 -10.062 1.00 0.00 H new ATOM 0 HB1 ALA A 66 11.055 -13.049 -10.614 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.091 -14.170 -9.625 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.253 -14.442 -11.376 1.00 0.00 H new ATOM 1099 N LEU A 67 9.557 -10.926 -12.207 1.00 0.00 N ATOM 1100 CA LEU A 67 9.888 -10.087 -13.349 1.00 0.00 C ATOM 1101 C LEU A 67 11.345 -9.626 -13.198 1.00 0.00 C ATOM 1102 O LEU A 67 12.029 -10.001 -12.244 1.00 0.00 O ATOM 1103 CB LEU A 67 8.911 -8.894 -13.394 1.00 0.00 C ATOM 1104 CG LEU A 67 7.456 -9.344 -13.634 1.00 0.00 C ATOM 1105 CD1 LEU A 67 6.661 -9.391 -12.346 1.00 0.00 C ATOM 1106 CD2 LEU A 67 6.726 -8.396 -14.577 1.00 0.00 C ATOM 0 H LEU A 67 9.784 -10.462 -11.328 1.00 0.00 H new ATOM 0 HA LEU A 67 9.791 -10.633 -14.287 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.969 -8.343 -12.455 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.213 -8.208 -14.186 1.00 0.00 H new ATOM 0 HG LEU A 67 7.524 -10.340 -14.071 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.642 -9.713 -12.559 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.127 -10.095 -11.656 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.642 -8.399 -11.894 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.704 -8.744 -14.723 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.710 -7.395 -14.146 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.241 -8.370 -15.537 1.00 0.00 H new ATOM 1118 N ASP A 68 11.838 -8.824 -14.148 1.00 0.00 N ATOM 1119 CA ASP A 68 13.272 -8.538 -14.282 1.00 0.00 C ATOM 1120 C ASP A 68 13.883 -7.828 -13.062 1.00 0.00 C ATOM 1121 O ASP A 68 15.062 -8.042 -12.766 1.00 0.00 O ATOM 1122 CB ASP A 68 13.522 -7.717 -15.553 1.00 0.00 C ATOM 1123 CG ASP A 68 15.027 -7.549 -15.814 1.00 0.00 C ATOM 1124 OD1 ASP A 68 15.707 -8.555 -16.130 1.00 0.00 O ATOM 1125 OD2 ASP A 68 15.540 -6.411 -15.718 1.00 0.00 O ATOM 0 H ASP A 68 11.257 -8.356 -14.844 1.00 0.00 H new ATOM 0 HA ASP A 68 13.773 -9.504 -14.349 1.00 0.00 H new ATOM 0 HB2 ASP A 68 13.054 -8.209 -16.406 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.055 -6.737 -15.455 1.00 0.00 H new ATOM 1130 N LYS A 69 13.098 -7.002 -12.351 1.00 0.00 N ATOM 1131 CA LYS A 69 13.550 -6.234 -11.178 1.00 0.00 C ATOM 1132 C LYS A 69 12.491 -6.194 -10.068 1.00 0.00 C ATOM 1133 O LYS A 69 12.491 -5.287 -9.232 1.00 0.00 O ATOM 1134 CB LYS A 69 13.982 -4.816 -11.592 1.00 0.00 C ATOM 1135 CG LYS A 69 15.179 -4.754 -12.549 1.00 0.00 C ATOM 1136 CD LYS A 69 16.505 -5.178 -11.891 1.00 0.00 C ATOM 1137 CE LYS A 69 17.685 -5.126 -12.873 1.00 0.00 C ATOM 1138 NZ LYS A 69 17.625 -6.195 -13.902 1.00 0.00 N ATOM 0 H LYS A 69 12.116 -6.846 -12.578 1.00 0.00 H new ATOM 0 HA LYS A 69 14.417 -6.750 -10.764 1.00 0.00 H new ATOM 0 HB2 LYS A 69 13.134 -4.318 -12.062 1.00 0.00 H new ATOM 0 HB3 LYS A 69 14.226 -4.250 -10.693 1.00 0.00 H new ATOM 0 HG2 LYS A 69 14.984 -5.398 -13.406 1.00 0.00 H new ATOM 0 HG3 LYS A 69 15.279 -3.738 -12.930 1.00 0.00 H new ATOM 0 HD2 LYS A 69 16.712 -4.526 -11.043 1.00 0.00 H new ATOM 0 HD3 LYS A 69 16.406 -6.190 -11.498 1.00 0.00 H new ATOM 0 HE2 LYS A 69 17.699 -4.154 -13.366 1.00 0.00 H new ATOM 0 HE3 LYS A 69 18.618 -5.215 -12.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 18.501 -6.187 -14.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 17.520 -7.119 -13.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 16.812 -6.028 -14.529 1.00 0.00 H new ATOM 1152 N GLY A 70 11.558 -7.144 -10.051 1.00 0.00 N ATOM 1153 CA GLY A 70 10.425 -7.112 -9.138 1.00 0.00 C ATOM 1154 C GLY A 70 9.550 -8.343 -9.302 1.00 0.00 C ATOM 1155 O GLY A 70 9.931 -9.298 -9.976 1.00 0.00 O ATOM 0 H GLY A 70 11.569 -7.955 -10.670 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.784 -7.053 -8.111 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.833 -6.215 -9.321 1.00 0.00 H new ATOM 1159 N LEU A 71 8.371 -8.324 -8.695 1.00 0.00 N ATOM 1160 CA LEU A 71 7.347 -9.364 -8.783 1.00 0.00 C ATOM 1161 C LEU A 71 6.013 -8.679 -9.066 1.00 0.00 C ATOM 1162 O LEU A 71 5.758 -7.607 -8.528 1.00 0.00 O ATOM 1163 CB LEU A 71 7.163 -10.112 -7.443 1.00 0.00 C ATOM 1164 CG LEU A 71 8.238 -11.074 -6.924 1.00 0.00 C ATOM 1165 CD1 LEU A 71 9.582 -10.425 -6.599 1.00 0.00 C ATOM 1166 CD2 LEU A 71 7.717 -11.719 -5.632 1.00 0.00 C ATOM 0 H LEU A 71 8.086 -7.547 -8.099 1.00 0.00 H new ATOM 0 HA LEU A 71 7.652 -10.069 -9.556 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.012 -9.356 -6.673 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.236 -10.680 -7.518 1.00 0.00 H new ATOM 0 HG LEU A 71 8.419 -11.786 -7.730 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.276 -11.185 -6.240 1.00 0.00 H new ATOM 0 HD12 LEU A 71 9.988 -9.959 -7.497 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.443 -9.667 -5.828 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.465 -12.409 -5.242 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.519 -10.943 -4.892 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.796 -12.263 -5.843 1.00 0.00 H new ATOM 1178 N GLU A 72 5.128 -9.323 -9.826 1.00 0.00 N ATOM 1179 CA GLU A 72 3.705 -8.999 -9.826 1.00 0.00 C ATOM 1180 C GLU A 72 3.014 -10.095 -9.047 1.00 0.00 C ATOM 1181 O GLU A 72 3.203 -11.279 -9.347 1.00 0.00 O ATOM 1182 CB GLU A 72 3.041 -8.961 -11.214 1.00 0.00 C ATOM 1183 CG GLU A 72 3.219 -7.666 -12.011 1.00 0.00 C ATOM 1184 CD GLU A 72 2.366 -7.706 -13.291 1.00 0.00 C ATOM 1185 OE1 GLU A 72 2.819 -8.274 -14.313 1.00 0.00 O ATOM 1186 OE2 GLU A 72 1.230 -7.178 -13.276 1.00 0.00 O ATOM 0 H GLU A 72 5.379 -10.083 -10.458 1.00 0.00 H new ATOM 0 HA GLU A 72 3.611 -7.997 -9.406 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.437 -9.786 -11.806 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.974 -9.143 -11.089 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.929 -6.812 -11.399 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.269 -7.531 -12.270 1.00 0.00 H new ATOM 1193 N ILE A 73 2.165 -9.690 -8.116 1.00 0.00 N ATOM 1194 CA ILE A 73 1.313 -10.549 -7.324 1.00 0.00 C ATOM 1195 C ILE A 73 -0.111 -10.157 -7.717 1.00 0.00 C ATOM 1196 O ILE A 73 -0.427 -8.969 -7.757 1.00 0.00 O ATOM 1197 CB ILE A 73 1.538 -10.303 -5.808 1.00 0.00 C ATOM 1198 CG1 ILE A 73 2.937 -10.568 -5.194 1.00 0.00 C ATOM 1199 CG2 ILE A 73 0.541 -11.146 -4.990 1.00 0.00 C ATOM 1200 CD1 ILE A 73 4.095 -9.736 -5.753 1.00 0.00 C ATOM 0 H ILE A 73 2.049 -8.703 -7.884 1.00 0.00 H new ATOM 0 HA ILE A 73 1.520 -11.604 -7.504 1.00 0.00 H new ATOM 0 HB ILE A 73 1.402 -9.223 -5.747 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.877 -10.392 -4.120 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.176 -11.622 -5.332 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.703 -10.970 -3.926 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.478 -10.862 -5.254 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.692 -12.203 -5.210 1.00 0.00 H new ATOM 0 HD11 ILE A 73 5.019 -10.012 -5.245 1.00 0.00 H new ATOM 0 HD12 ILE A 73 4.197 -9.926 -6.821 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.894 -8.677 -5.591 1.00 0.00 H new ATOM 1212 N ILE A 74 -0.986 -11.130 -7.955 1.00 0.00 N ATOM 1213 CA ILE A 74 -2.431 -10.928 -8.045 1.00 0.00 C ATOM 1214 C ILE A 74 -3.022 -11.634 -6.817 1.00 0.00 C ATOM 1215 O ILE A 74 -2.573 -12.726 -6.465 1.00 0.00 O ATOM 1216 CB ILE A 74 -3.008 -11.484 -9.373 1.00 0.00 C ATOM 1217 CG1 ILE A 74 -2.452 -10.887 -10.689 1.00 0.00 C ATOM 1218 CG2 ILE A 74 -4.534 -11.259 -9.440 1.00 0.00 C ATOM 1219 CD1 ILE A 74 -0.969 -11.110 -10.998 1.00 0.00 C ATOM 0 H ILE A 74 -0.706 -12.101 -8.094 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.687 -9.869 -8.051 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.705 -12.530 -9.329 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.033 -11.297 -11.515 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -2.634 -9.812 -10.674 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.919 -11.656 -10.379 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.014 -11.770 -8.606 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.747 -10.192 -9.383 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.720 -10.638 -11.948 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.362 -10.672 -10.205 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -0.767 -12.179 -11.060 1.00 0.00 H new ATOM 1231 N VAL A 75 -4.054 -11.061 -6.195 1.00 0.00 N ATOM 1232 CA VAL A 75 -4.837 -11.729 -5.162 1.00 0.00 C ATOM 1233 C VAL A 75 -6.321 -11.536 -5.453 1.00 0.00 C ATOM 1234 O VAL A 75 -6.731 -10.504 -5.985 1.00 0.00 O ATOM 1235 CB VAL A 75 -4.423 -11.316 -3.734 1.00 0.00 C ATOM 1236 CG1 VAL A 75 -3.012 -11.775 -3.386 1.00 0.00 C ATOM 1237 CG2 VAL A 75 -4.426 -9.815 -3.504 1.00 0.00 C ATOM 0 H VAL A 75 -4.370 -10.113 -6.398 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.626 -12.798 -5.195 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.175 -11.797 -3.108 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.767 -11.461 -2.372 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.956 -12.862 -3.453 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.302 -11.332 -4.085 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.124 -9.604 -2.478 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.727 -9.340 -4.193 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.428 -9.423 -3.676 1.00 0.00 H new ATOM 1247 N THR A 76 -7.128 -12.553 -5.162 1.00 0.00 N ATOM 1248 CA THR A 76 -8.474 -12.714 -5.705 1.00 0.00 C ATOM 1249 C THR A 76 -9.413 -13.097 -4.556 1.00 0.00 C ATOM 1250 O THR A 76 -8.951 -13.540 -3.499 1.00 0.00 O ATOM 1251 CB THR A 76 -8.476 -13.688 -6.929 1.00 0.00 C ATOM 1252 OG1 THR A 76 -9.236 -14.864 -6.736 1.00 0.00 O ATOM 1253 CG2 THR A 76 -7.093 -14.104 -7.473 1.00 0.00 C ATOM 0 H THR A 76 -6.858 -13.305 -4.528 1.00 0.00 H new ATOM 0 HA THR A 76 -8.851 -11.780 -6.121 1.00 0.00 H new ATOM 0 HB THR A 76 -8.952 -13.055 -7.678 1.00 0.00 H new ATOM 0 HG1 THR A 76 -9.190 -15.419 -7.542 1.00 0.00 H new ATOM 0 HG21 THR A 76 -7.223 -14.779 -8.319 1.00 0.00 H new ATOM 0 HG22 THR A 76 -6.548 -13.217 -7.796 1.00 0.00 H new ATOM 0 HG23 THR A 76 -6.531 -14.610 -6.688 1.00 0.00 H new ATOM 1261 N LYS A 77 -10.723 -12.928 -4.752 1.00 0.00 N ATOM 1262 CA LYS A 77 -11.790 -13.338 -3.836 1.00 0.00 C ATOM 1263 C LYS A 77 -12.976 -13.826 -4.677 1.00 0.00 C ATOM 1264 O LYS A 77 -13.047 -13.543 -5.870 1.00 0.00 O ATOM 1265 CB LYS A 77 -12.175 -12.173 -2.896 1.00 0.00 C ATOM 1266 CG LYS A 77 -11.175 -11.978 -1.737 1.00 0.00 C ATOM 1267 CD LYS A 77 -10.408 -10.649 -1.762 1.00 0.00 C ATOM 1268 CE LYS A 77 -11.342 -9.433 -1.594 1.00 0.00 C ATOM 1269 NZ LYS A 77 -10.626 -8.132 -1.715 1.00 0.00 N ATOM 0 H LYS A 77 -11.086 -12.480 -5.594 1.00 0.00 H new ATOM 0 HA LYS A 77 -11.456 -14.152 -3.193 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -12.236 -11.251 -3.475 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -13.168 -12.358 -2.485 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -11.716 -12.051 -0.794 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -10.455 -12.796 -1.756 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -9.664 -10.646 -0.965 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.867 -10.562 -2.704 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -12.130 -9.480 -2.346 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -11.827 -9.486 -0.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.253 -7.431 -2.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.349 -7.799 -0.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -9.776 -8.257 -2.301 1.00 0.00 H new