USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 873 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 40 SER OG : rot 54:sc= 0.613 USER MOD Set 1.2: A 42 ASN : amide:sc= 0.59 K(o=1.2,f=0.083) USER MOD Single : A 1 MET CE :methyl -167:sc= -0.0395 (180deg=-0.277) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -1.94! K(o=-1.9!,f=0) USER MOD Single : A 15 ASN : amide:sc= 0.00473 X(o=0.0047,f=-0.49) USER MOD Single : A 28 TYR OH : rot 48:sc= 0.129 USER MOD Single : A 32 HIS : no HD1:sc= -1.28 K(o=-1.3,f=-0.72) USER MOD Single : A 35 ASN : amide:sc= -0.347 X(o=-0.35,f=-0.017) USER MOD Single : A 37 THR OG1 : rot 165:sc= 0.0575 USER MOD Single : A 44 GLN : amide:sc= 0.148 X(o=0.15,f=-0.022) USER MOD Single : A 46 LYS NZ :NH3+ -142:sc= 1.19 (180deg=-0.0351) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0.112 X(o=0.11,f=-0.2) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -118:sc= 0.717 (180deg=-0.203) USER MOD Single : A 57 LYS NZ :NH3+ 145:sc= 0.801 (180deg=0.0581) USER MOD Single : A 58 LYS NZ :NH3+ -124:sc= 0.556 (180deg=-0.00412) USER MOD Single : A 62 HIS : no HD1:sc= -2.18 X(o=-2.2,f=-2.4) USER MOD Single : A 63 CYS SG : rot 50:sc= -3.74! USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl -152:sc= -0.606 (180deg=-1.73) USER MOD Single : A 77 HIS : no HD1:sc= -1.4 X(o=-1.4,f=-1.6) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.467 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot -165:sc= -1.35 USER MOD Single : A 89 ASN : amide:sc= -0.0467 K(o=-0.047,f=-1.9!) USER MOD Single : A 91 TYR OH : rot 86:sc= -0.651 USER MOD Single : A 95 LYS NZ :NH3+ -165:sc= 0.571 (180deg=0.301) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 139:sc= -1.77 (180deg=-2.14) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 51:sc= 0.154 USER MOD Single : A 106 CYS SG : rot 180:sc= -0.688 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0.8 (180deg=0.8) USER MOD Single : A 109 LYS NZ :NH3+ 179:sc= 0 (180deg=-3.83e-05) USER MOD Single : A 110 ASN : amide:sc= -0.441 X(o=-0.44,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.408 16.022 -8.442 1.00 0.00 N ATOM 2 CA MET A 1 -6.375 14.928 -8.227 1.00 0.00 C ATOM 3 C MET A 1 -5.619 13.601 -8.038 1.00 0.00 C ATOM 4 O MET A 1 -5.063 13.055 -9.005 1.00 0.00 O ATOM 5 CB MET A 1 -7.368 14.830 -9.424 1.00 0.00 C ATOM 6 CG MET A 1 -8.275 16.054 -9.618 1.00 0.00 C ATOM 7 SD MET A 1 -9.494 15.822 -10.933 1.00 0.00 S ATOM 8 CE MET A 1 -8.458 15.606 -12.385 1.00 0.00 C ATOM 0 H1 MET A 1 -5.920 16.918 -8.570 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.779 16.097 -7.617 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.842 15.823 -9.291 1.00 0.00 H new ATOM 0 HA MET A 1 -6.954 15.137 -7.328 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.796 14.672 -10.339 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.996 13.950 -9.284 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.792 16.269 -8.683 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.660 16.924 -9.849 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.070 15.685 -13.284 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.688 16.378 -12.401 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.987 14.624 -12.353 1.00 0.00 H new ATOM 20 N LEU A 2 -5.585 13.076 -6.794 1.00 0.00 N ATOM 21 CA LEU A 2 -4.879 11.808 -6.498 1.00 0.00 C ATOM 22 C LEU A 2 -5.765 10.591 -6.816 1.00 0.00 C ATOM 23 O LEU A 2 -5.302 9.458 -6.767 1.00 0.00 O ATOM 24 CB LEU A 2 -4.391 11.720 -5.030 1.00 0.00 C ATOM 25 CG LEU A 2 -5.392 11.116 -3.983 1.00 0.00 C ATOM 26 CD1 LEU A 2 -4.644 10.562 -2.766 1.00 0.00 C ATOM 27 CD2 LEU A 2 -6.472 12.134 -3.572 1.00 0.00 C ATOM 0 H LEU A 2 -6.033 13.505 -5.985 1.00 0.00 H new ATOM 0 HA LEU A 2 -4.000 11.798 -7.143 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.479 11.123 -5.011 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -4.122 12.724 -4.702 1.00 0.00 H new ATOM 0 HG LEU A 2 -5.908 10.284 -4.462 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.360 10.149 -2.056 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -3.958 9.778 -3.087 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -4.081 11.364 -2.289 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -7.145 11.677 -2.846 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -5.997 13.008 -3.127 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -7.039 12.438 -4.452 1.00 0.00 H new ATOM 39 N GLU A 3 -7.048 10.837 -7.098 1.00 0.00 N ATOM 40 CA GLU A 3 -8.012 9.788 -7.477 1.00 0.00 C ATOM 41 C GLU A 3 -7.607 9.107 -8.810 1.00 0.00 C ATOM 42 O GLU A 3 -8.106 8.030 -9.142 1.00 0.00 O ATOM 43 CB GLU A 3 -9.468 10.341 -7.526 1.00 0.00 C ATOM 44 CG GLU A 3 -9.662 11.668 -8.318 1.00 0.00 C ATOM 45 CD GLU A 3 -9.714 12.944 -7.441 1.00 0.00 C ATOM 46 OE1 GLU A 3 -8.868 13.103 -6.524 1.00 0.00 O ATOM 47 OE2 GLU A 3 -10.582 13.813 -7.688 1.00 0.00 O ATOM 0 H GLU A 3 -7.453 11.773 -7.071 1.00 0.00 H new ATOM 0 HA GLU A 3 -7.988 9.022 -6.702 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -10.111 9.579 -7.967 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -9.812 10.496 -6.504 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -8.847 11.770 -9.035 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -10.586 11.601 -8.892 1.00 0.00 H new ATOM 54 N ASP A 4 -6.691 9.761 -9.554 1.00 0.00 N ATOM 55 CA ASP A 4 -6.028 9.182 -10.743 1.00 0.00 C ATOM 56 C ASP A 4 -5.028 8.065 -10.332 1.00 0.00 C ATOM 57 O ASP A 4 -4.833 7.094 -11.068 1.00 0.00 O ATOM 58 CB ASP A 4 -5.298 10.310 -11.528 1.00 0.00 C ATOM 59 CG ASP A 4 -4.738 9.855 -12.894 1.00 0.00 C ATOM 60 OD1 ASP A 4 -5.474 9.930 -13.905 1.00 0.00 O ATOM 61 OD2 ASP A 4 -3.571 9.408 -12.962 1.00 0.00 O ATOM 0 H ASP A 4 -6.388 10.712 -9.346 1.00 0.00 H new ATOM 0 HA ASP A 4 -6.784 8.729 -11.385 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -5.991 11.137 -11.687 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -4.479 10.693 -10.919 1.00 0.00 H new ATOM 66 N TYR A 5 -4.416 8.217 -9.136 1.00 0.00 N ATOM 67 CA TYR A 5 -3.435 7.250 -8.562 1.00 0.00 C ATOM 68 C TYR A 5 -4.128 5.978 -7.988 1.00 0.00 C ATOM 69 O TYR A 5 -3.456 5.112 -7.408 1.00 0.00 O ATOM 70 CB TYR A 5 -2.584 7.946 -7.449 1.00 0.00 C ATOM 71 CG TYR A 5 -1.664 9.091 -7.931 1.00 0.00 C ATOM 72 CD1 TYR A 5 -2.189 10.274 -8.470 1.00 0.00 C ATOM 73 CD2 TYR A 5 -0.270 8.993 -7.840 1.00 0.00 C ATOM 74 CE1 TYR A 5 -1.366 11.302 -8.892 1.00 0.00 C ATOM 75 CE2 TYR A 5 0.554 10.021 -8.261 1.00 0.00 C ATOM 76 CZ TYR A 5 0.003 11.171 -8.787 1.00 0.00 C ATOM 77 OH TYR A 5 0.821 12.201 -9.198 1.00 0.00 O ATOM 0 H TYR A 5 -4.587 9.020 -8.531 1.00 0.00 H new ATOM 0 HA TYR A 5 -2.783 6.927 -9.374 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -3.262 8.342 -6.693 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.969 7.190 -6.961 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.260 10.385 -8.558 1.00 0.00 H new ATOM 0 HD2 TYR A 5 0.171 8.095 -7.432 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.794 12.205 -9.303 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.626 9.924 -8.178 1.00 0.00 H new ATOM 0 HH TYR A 5 1.758 11.951 -9.056 1.00 0.00 H new ATOM 87 N ALA A 6 -5.469 5.890 -8.139 1.00 0.00 N ATOM 88 CA ALA A 6 -6.265 4.714 -7.733 1.00 0.00 C ATOM 89 C ALA A 6 -6.032 3.544 -8.702 1.00 0.00 C ATOM 90 O ALA A 6 -6.532 3.564 -9.832 1.00 0.00 O ATOM 91 CB ALA A 6 -7.763 5.082 -7.673 1.00 0.00 C ATOM 0 H ALA A 6 -6.030 6.637 -8.548 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.944 4.401 -6.740 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.341 4.208 -7.373 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.912 5.882 -6.948 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.095 5.416 -8.656 1.00 0.00 H new ATOM 97 N ILE A 7 -5.244 2.546 -8.269 1.00 0.00 N ATOM 98 CA ILE A 7 -4.939 1.351 -9.079 1.00 0.00 C ATOM 99 C ILE A 7 -5.865 0.191 -8.662 1.00 0.00 C ATOM 100 O ILE A 7 -6.140 0.014 -7.463 1.00 0.00 O ATOM 101 CB ILE A 7 -3.429 0.912 -8.927 1.00 0.00 C ATOM 102 CG1 ILE A 7 -2.470 2.143 -9.083 1.00 0.00 C ATOM 103 CG2 ILE A 7 -3.070 -0.199 -9.951 1.00 0.00 C ATOM 104 CD1 ILE A 7 -0.984 1.818 -9.019 1.00 0.00 C ATOM 0 H ILE A 7 -4.801 2.543 -7.350 1.00 0.00 H new ATOM 0 HA ILE A 7 -5.109 1.603 -10.126 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.296 0.505 -7.925 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.679 2.628 -10.037 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.702 2.866 -8.301 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.025 -0.485 -9.827 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.706 -1.068 -9.783 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -3.226 0.175 -10.963 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.406 2.734 -9.137 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.752 1.364 -8.056 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.729 1.123 -9.819 1.00 0.00 H new ATOM 116 N SER A 8 -6.357 -0.579 -9.652 1.00 0.00 N ATOM 117 CA SER A 8 -7.188 -1.774 -9.403 1.00 0.00 C ATOM 118 C SER A 8 -6.300 -3.027 -9.246 1.00 0.00 C ATOM 119 O SER A 8 -5.211 -3.104 -9.828 1.00 0.00 O ATOM 120 CB SER A 8 -8.197 -1.970 -10.556 1.00 0.00 C ATOM 121 OG SER A 8 -9.016 -0.825 -10.724 1.00 0.00 O ATOM 0 H SER A 8 -6.191 -0.392 -10.641 1.00 0.00 H new ATOM 0 HA SER A 8 -7.741 -1.627 -8.475 1.00 0.00 H new ATOM 0 HB2 SER A 8 -7.659 -2.174 -11.482 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.822 -2.840 -10.352 1.00 0.00 H new ATOM 0 HG SER A 8 -9.643 -0.977 -11.461 1.00 0.00 H new ATOM 127 N LEU A 9 -6.785 -4.002 -8.462 1.00 0.00 N ATOM 128 CA LEU A 9 -6.064 -5.264 -8.185 1.00 0.00 C ATOM 129 C LEU A 9 -5.874 -6.121 -9.467 1.00 0.00 C ATOM 130 O LEU A 9 -4.870 -6.825 -9.613 1.00 0.00 O ATOM 131 CB LEU A 9 -6.816 -6.053 -7.071 1.00 0.00 C ATOM 132 CG LEU A 9 -6.260 -7.467 -6.710 1.00 0.00 C ATOM 133 CD1 LEU A 9 -4.754 -7.427 -6.378 1.00 0.00 C ATOM 134 CD2 LEU A 9 -7.074 -8.107 -5.557 1.00 0.00 C ATOM 0 H LEU A 9 -7.691 -3.942 -7.998 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.061 -5.022 -7.833 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.814 -5.446 -6.165 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.856 -6.165 -7.378 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.375 -8.096 -7.593 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.409 -8.431 -6.133 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.201 -7.054 -7.240 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.587 -6.768 -5.526 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.666 -9.091 -5.326 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.014 -7.472 -4.673 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.116 -8.209 -5.860 1.00 0.00 H new ATOM 146 N GLU A 10 -6.825 -6.016 -10.402 1.00 0.00 N ATOM 147 CA GLU A 10 -6.811 -6.791 -11.664 1.00 0.00 C ATOM 148 C GLU A 10 -5.684 -6.343 -12.636 1.00 0.00 C ATOM 149 O GLU A 10 -5.285 -7.110 -13.520 1.00 0.00 O ATOM 150 CB GLU A 10 -8.189 -6.667 -12.364 1.00 0.00 C ATOM 151 CG GLU A 10 -8.566 -5.225 -12.777 1.00 0.00 C ATOM 152 CD GLU A 10 -9.888 -5.142 -13.556 1.00 0.00 C ATOM 153 OE1 GLU A 10 -10.960 -4.999 -12.924 1.00 0.00 O ATOM 154 OE2 GLU A 10 -9.862 -5.241 -14.808 1.00 0.00 O ATOM 0 H GLU A 10 -7.629 -5.394 -10.313 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.609 -7.830 -11.402 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.190 -7.299 -13.252 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.959 -7.054 -11.696 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.640 -4.606 -11.883 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.765 -4.808 -13.388 1.00 0.00 H new ATOM 161 N GLU A 11 -5.188 -5.103 -12.468 1.00 0.00 N ATOM 162 CA GLU A 11 -4.249 -4.457 -13.426 1.00 0.00 C ATOM 163 C GLU A 11 -2.897 -4.101 -12.773 1.00 0.00 C ATOM 164 O GLU A 11 -1.928 -3.786 -13.480 1.00 0.00 O ATOM 165 CB GLU A 11 -4.919 -3.176 -13.990 1.00 0.00 C ATOM 166 CG GLU A 11 -5.295 -2.149 -12.902 1.00 0.00 C ATOM 167 CD GLU A 11 -6.107 -0.944 -13.398 1.00 0.00 C ATOM 168 OE1 GLU A 11 -6.984 -1.113 -14.275 1.00 0.00 O ATOM 169 OE2 GLU A 11 -5.898 0.173 -12.881 1.00 0.00 O ATOM 0 H GLU A 11 -5.422 -4.515 -11.668 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.037 -5.166 -14.227 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.243 -2.706 -14.704 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.818 -3.457 -14.539 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.866 -2.658 -12.126 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.379 -1.784 -12.437 1.00 0.00 H new ATOM 176 N VAL A 12 -2.839 -4.150 -11.429 1.00 0.00 N ATOM 177 CA VAL A 12 -1.653 -3.717 -10.661 1.00 0.00 C ATOM 178 C VAL A 12 -0.440 -4.643 -10.911 1.00 0.00 C ATOM 179 O VAL A 12 -0.601 -5.811 -11.255 1.00 0.00 O ATOM 180 CB VAL A 12 -1.978 -3.644 -9.121 1.00 0.00 C ATOM 181 CG1 VAL A 12 -2.272 -5.033 -8.514 1.00 0.00 C ATOM 182 CG2 VAL A 12 -0.873 -2.906 -8.335 1.00 0.00 C ATOM 0 H VAL A 12 -3.606 -4.488 -10.847 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.388 -2.719 -11.010 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.893 -3.059 -9.027 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.490 -4.927 -7.451 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.131 -5.476 -9.018 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.403 -5.678 -8.644 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.136 -2.878 -7.278 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.074 -3.431 -8.460 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.776 -1.888 -8.712 1.00 0.00 H new ATOM 192 N ASN A 13 0.770 -4.079 -10.825 1.00 0.00 N ATOM 193 CA ASN A 13 2.035 -4.839 -10.829 1.00 0.00 C ATOM 194 C ASN A 13 2.793 -4.470 -9.546 1.00 0.00 C ATOM 195 O ASN A 13 3.525 -3.481 -9.530 1.00 0.00 O ATOM 196 CB ASN A 13 2.908 -4.516 -12.091 1.00 0.00 C ATOM 197 CG ASN A 13 2.411 -5.090 -13.433 1.00 0.00 C ATOM 198 OD1 ASN A 13 3.218 -5.495 -14.261 1.00 0.00 O ATOM 199 ND2 ASN A 13 1.110 -5.080 -13.697 1.00 0.00 N ATOM 0 H ASN A 13 0.905 -3.071 -10.750 1.00 0.00 H new ATOM 0 HA ASN A 13 1.820 -5.907 -10.866 1.00 0.00 H new ATOM 0 HB2 ASN A 13 2.980 -3.433 -12.188 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.917 -4.888 -11.913 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.770 -5.413 -14.599 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.450 -4.740 -12.997 1.00 0.00 H new ATOM 206 N PHE A 14 2.577 -5.241 -8.458 1.00 0.00 N ATOM 207 CA PHE A 14 3.218 -4.976 -7.141 1.00 0.00 C ATOM 208 C PHE A 14 4.759 -4.982 -7.253 1.00 0.00 C ATOM 209 O PHE A 14 5.439 -4.133 -6.678 1.00 0.00 O ATOM 210 CB PHE A 14 2.750 -6.006 -6.074 1.00 0.00 C ATOM 211 CG PHE A 14 1.267 -5.898 -5.700 1.00 0.00 C ATOM 212 CD1 PHE A 14 0.752 -4.709 -5.196 1.00 0.00 C ATOM 213 CD2 PHE A 14 0.400 -6.978 -5.822 1.00 0.00 C ATOM 214 CE1 PHE A 14 -0.578 -4.606 -4.832 1.00 0.00 C ATOM 215 CE2 PHE A 14 -0.933 -6.876 -5.461 1.00 0.00 C ATOM 216 CZ PHE A 14 -1.421 -5.690 -4.965 1.00 0.00 C ATOM 0 H PHE A 14 1.963 -6.055 -8.461 1.00 0.00 H new ATOM 0 HA PHE A 14 2.905 -3.982 -6.822 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.946 -7.012 -6.446 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.350 -5.877 -5.173 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.401 -3.853 -5.087 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.774 -7.916 -6.206 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.958 -3.673 -4.442 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.589 -7.727 -5.569 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.460 -5.607 -4.681 1.00 0.00 H new ATOM 226 N ASN A 15 5.265 -5.927 -8.057 1.00 0.00 N ATOM 227 CA ASN A 15 6.709 -6.094 -8.344 1.00 0.00 C ATOM 228 C ASN A 15 7.332 -4.843 -9.019 1.00 0.00 C ATOM 229 O ASN A 15 8.549 -4.648 -8.955 1.00 0.00 O ATOM 230 CB ASN A 15 6.912 -7.351 -9.232 1.00 0.00 C ATOM 231 CG ASN A 15 6.162 -7.257 -10.567 1.00 0.00 C ATOM 232 OD1 ASN A 15 4.973 -7.571 -10.642 1.00 0.00 O ATOM 233 ND2 ASN A 15 6.844 -6.839 -11.621 1.00 0.00 N ATOM 0 H ASN A 15 4.679 -6.611 -8.537 1.00 0.00 H new ATOM 0 HA ASN A 15 7.226 -6.221 -7.393 1.00 0.00 H new ATOM 0 HB2 ASN A 15 7.976 -7.486 -9.426 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.572 -8.233 -8.690 1.00 0.00 H new ATOM 0 HD21 ASN A 15 6.386 -6.769 -12.530 1.00 0.00 H new ATOM 0 HD22 ASN A 15 7.828 -6.587 -11.525 1.00 0.00 H new ATOM 240 N ASP A 16 6.482 -4.009 -9.653 1.00 0.00 N ATOM 241 CA ASP A 16 6.920 -2.795 -10.378 1.00 0.00 C ATOM 242 C ASP A 16 7.141 -1.614 -9.403 1.00 0.00 C ATOM 243 O ASP A 16 8.082 -0.835 -9.577 1.00 0.00 O ATOM 244 CB ASP A 16 5.867 -2.408 -11.460 1.00 0.00 C ATOM 245 CG ASP A 16 6.355 -1.337 -12.463 1.00 0.00 C ATOM 246 OD1 ASP A 16 6.191 -0.132 -12.197 1.00 0.00 O ATOM 247 OD2 ASP A 16 6.891 -1.706 -13.536 1.00 0.00 O ATOM 0 H ASP A 16 5.473 -4.157 -9.678 1.00 0.00 H new ATOM 0 HA ASP A 16 7.870 -3.014 -10.866 1.00 0.00 H new ATOM 0 HB2 ASP A 16 5.583 -3.304 -12.012 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.969 -2.042 -10.963 1.00 0.00 H new ATOM 252 N PHE A 17 6.275 -1.488 -8.369 1.00 0.00 N ATOM 253 CA PHE A 17 6.290 -0.310 -7.453 1.00 0.00 C ATOM 254 C PHE A 17 6.858 -0.727 -6.085 1.00 0.00 C ATOM 255 O PHE A 17 6.726 -1.891 -5.697 1.00 0.00 O ATOM 256 CB PHE A 17 4.851 0.287 -7.252 1.00 0.00 C ATOM 257 CG PHE A 17 3.921 0.177 -8.469 1.00 0.00 C ATOM 258 CD1 PHE A 17 4.182 0.890 -9.626 1.00 0.00 C ATOM 259 CD2 PHE A 17 2.795 -0.645 -8.452 1.00 0.00 C ATOM 260 CE1 PHE A 17 3.362 0.788 -10.732 1.00 0.00 C ATOM 261 CE2 PHE A 17 1.973 -0.752 -9.562 1.00 0.00 C ATOM 262 CZ PHE A 17 2.255 -0.032 -10.701 1.00 0.00 C ATOM 0 H PHE A 17 5.560 -2.180 -8.145 1.00 0.00 H new ATOM 0 HA PHE A 17 6.918 0.457 -7.907 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.380 -0.218 -6.408 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.946 1.339 -6.981 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.044 1.539 -9.665 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.560 -1.207 -7.560 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.589 1.353 -11.624 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.110 -1.401 -9.534 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.612 -0.109 -11.565 1.00 0.00 H new ATOM 272 N ILE A 18 7.478 0.217 -5.352 1.00 0.00 N ATOM 273 CA ILE A 18 7.865 -0.012 -3.946 1.00 0.00 C ATOM 274 C ILE A 18 6.576 0.020 -3.102 1.00 0.00 C ATOM 275 O ILE A 18 6.061 1.092 -2.790 1.00 0.00 O ATOM 276 CB ILE A 18 8.880 1.080 -3.418 1.00 0.00 C ATOM 277 CG1 ILE A 18 10.112 1.228 -4.376 1.00 0.00 C ATOM 278 CG2 ILE A 18 9.337 0.749 -1.973 1.00 0.00 C ATOM 279 CD1 ILE A 18 11.109 2.311 -3.979 1.00 0.00 C ATOM 0 H ILE A 18 7.721 1.142 -5.708 1.00 0.00 H new ATOM 0 HA ILE A 18 8.372 -0.974 -3.867 1.00 0.00 H new ATOM 0 HB ILE A 18 8.361 2.038 -3.402 1.00 0.00 H new ATOM 0 HG12 ILE A 18 10.635 0.273 -4.422 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.748 1.441 -5.381 1.00 0.00 H new ATOM 0 HG21 ILE A 18 10.035 1.512 -1.628 1.00 0.00 H new ATOM 0 HG22 ILE A 18 8.470 0.726 -1.313 1.00 0.00 H new ATOM 0 HG23 ILE A 18 9.828 -0.224 -1.961 1.00 0.00 H new ATOM 0 HD11 ILE A 18 11.925 2.337 -4.701 1.00 0.00 H new ATOM 0 HD12 ILE A 18 10.608 3.279 -3.963 1.00 0.00 H new ATOM 0 HD13 ILE A 18 11.508 2.093 -2.988 1.00 0.00 H new ATOM 291 N VAL A 19 6.058 -1.159 -2.740 1.00 0.00 N ATOM 292 CA VAL A 19 4.727 -1.276 -2.122 1.00 0.00 C ATOM 293 C VAL A 19 4.857 -1.113 -0.600 1.00 0.00 C ATOM 294 O VAL A 19 5.930 -1.344 -0.028 1.00 0.00 O ATOM 295 CB VAL A 19 4.038 -2.645 -2.524 1.00 0.00 C ATOM 296 CG1 VAL A 19 2.622 -2.811 -1.927 1.00 0.00 C ATOM 297 CG2 VAL A 19 3.984 -2.792 -4.062 1.00 0.00 C ATOM 0 H VAL A 19 6.540 -2.050 -2.864 1.00 0.00 H new ATOM 0 HA VAL A 19 4.079 -0.482 -2.493 1.00 0.00 H new ATOM 0 HB VAL A 19 4.656 -3.436 -2.099 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.205 -3.768 -2.240 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.680 -2.778 -0.839 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.981 -2.003 -2.281 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.508 -3.738 -4.321 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.410 -1.969 -4.486 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.997 -2.774 -4.465 1.00 0.00 H new ATOM 307 N VAL A 20 3.777 -0.651 0.032 1.00 0.00 N ATOM 308 CA VAL A 20 3.680 -0.459 1.479 1.00 0.00 C ATOM 309 C VAL A 20 2.360 -1.056 1.967 1.00 0.00 C ATOM 310 O VAL A 20 1.295 -0.746 1.422 1.00 0.00 O ATOM 311 CB VAL A 20 3.751 1.066 1.883 1.00 0.00 C ATOM 312 CG1 VAL A 20 3.495 1.284 3.391 1.00 0.00 C ATOM 313 CG2 VAL A 20 5.100 1.698 1.467 1.00 0.00 C ATOM 0 H VAL A 20 2.923 -0.393 -0.462 1.00 0.00 H new ATOM 0 HA VAL A 20 4.528 -0.960 1.946 1.00 0.00 H new ATOM 0 HB VAL A 20 2.952 1.568 1.338 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.554 2.348 3.620 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.504 0.912 3.649 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.246 0.746 3.969 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.116 2.748 1.760 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.916 1.171 1.961 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.220 1.621 0.386 1.00 0.00 H new ATOM 323 N ASP A 21 2.443 -1.936 2.965 1.00 0.00 N ATOM 324 CA ASP A 21 1.275 -2.441 3.685 1.00 0.00 C ATOM 325 C ASP A 21 0.847 -1.349 4.680 1.00 0.00 C ATOM 326 O ASP A 21 1.498 -1.201 5.708 1.00 0.00 O ATOM 327 CB ASP A 21 1.685 -3.765 4.417 1.00 0.00 C ATOM 328 CG ASP A 21 0.499 -4.565 4.989 1.00 0.00 C ATOM 329 OD1 ASP A 21 0.044 -4.287 6.111 1.00 0.00 O ATOM 330 OD2 ASP A 21 0.012 -5.488 4.291 1.00 0.00 O ATOM 0 H ASP A 21 3.327 -2.320 3.298 1.00 0.00 H new ATOM 0 HA ASP A 21 0.440 -2.666 3.022 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.233 -4.398 3.719 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.369 -3.521 5.230 1.00 0.00 H new ATOM 335 N VAL A 22 -0.213 -0.559 4.349 1.00 0.00 N ATOM 336 CA VAL A 22 -0.714 0.526 5.237 1.00 0.00 C ATOM 337 C VAL A 22 -1.844 -0.013 6.121 1.00 0.00 C ATOM 338 O VAL A 22 -3.042 0.199 5.865 1.00 0.00 O ATOM 339 CB VAL A 22 -1.174 1.824 4.445 1.00 0.00 C ATOM 340 CG1 VAL A 22 0.048 2.582 3.882 1.00 0.00 C ATOM 341 CG2 VAL A 22 -2.181 1.493 3.309 1.00 0.00 C ATOM 0 H VAL A 22 -0.734 -0.654 3.477 1.00 0.00 H new ATOM 0 HA VAL A 22 0.120 0.844 5.863 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.690 2.467 5.157 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.290 3.467 3.343 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.699 2.883 4.703 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.598 1.931 3.202 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.466 2.412 2.796 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.716 0.810 2.598 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.068 1.024 3.735 1.00 0.00 H new ATOM 351 N ARG A 23 -1.449 -0.728 7.185 1.00 0.00 N ATOM 352 CA ARG A 23 -2.399 -1.427 8.067 1.00 0.00 C ATOM 353 C ARG A 23 -1.860 -1.482 9.512 1.00 0.00 C ATOM 354 O ARG A 23 -2.099 -0.550 10.296 1.00 0.00 O ATOM 355 CB ARG A 23 -2.737 -2.866 7.522 1.00 0.00 C ATOM 356 CG ARG A 23 -3.446 -2.915 6.141 1.00 0.00 C ATOM 357 CD ARG A 23 -3.950 -4.315 5.762 1.00 0.00 C ATOM 358 NE ARG A 23 -2.868 -5.286 5.560 1.00 0.00 N ATOM 359 CZ ARG A 23 -3.006 -6.619 5.618 1.00 0.00 C ATOM 360 NH1 ARG A 23 -4.132 -7.192 6.049 1.00 0.00 N ATOM 361 NH2 ARG A 23 -1.985 -7.381 5.281 1.00 0.00 N ATOM 0 H ARG A 23 -0.472 -0.838 7.458 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.330 -0.860 8.077 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.810 -3.435 7.454 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.369 -3.372 8.252 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.289 -2.224 6.149 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.755 -2.566 5.374 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.614 -4.679 6.546 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.542 -4.246 4.849 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.938 -4.918 5.360 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.918 -6.613 6.346 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.207 -8.209 6.082 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.108 -6.955 4.982 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.072 -8.397 5.319 1.00 0.00 H new ATOM 375 N GLU A 24 -1.080 -2.537 9.833 1.00 0.00 N ATOM 376 CA GLU A 24 -0.647 -2.842 11.220 1.00 0.00 C ATOM 377 C GLU A 24 0.370 -4.005 11.176 1.00 0.00 C ATOM 378 O GLU A 24 0.437 -4.723 10.172 1.00 0.00 O ATOM 379 CB GLU A 24 -1.898 -3.229 12.113 1.00 0.00 C ATOM 380 CG GLU A 24 -1.901 -2.694 13.569 1.00 0.00 C ATOM 381 CD GLU A 24 -0.798 -3.284 14.467 1.00 0.00 C ATOM 382 OE1 GLU A 24 -0.974 -4.409 14.970 1.00 0.00 O ATOM 383 OE2 GLU A 24 0.250 -2.627 14.676 1.00 0.00 O ATOM 0 H GLU A 24 -0.732 -3.202 9.142 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.178 -1.964 11.663 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.798 -2.868 11.615 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.968 -4.316 12.149 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.791 -1.610 13.545 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.871 -2.906 14.019 1.00 0.00 H new ATOM 390 N LEU A 25 1.156 -4.170 12.261 1.00 0.00 N ATOM 391 CA LEU A 25 2.010 -5.352 12.485 1.00 0.00 C ATOM 392 C LEU A 25 1.185 -6.653 12.402 1.00 0.00 C ATOM 393 O LEU A 25 1.538 -7.555 11.656 1.00 0.00 O ATOM 394 CB LEU A 25 2.715 -5.247 13.871 1.00 0.00 C ATOM 395 CG LEU A 25 3.534 -6.499 14.347 1.00 0.00 C ATOM 396 CD1 LEU A 25 4.716 -6.817 13.404 1.00 0.00 C ATOM 397 CD2 LEU A 25 4.020 -6.322 15.805 1.00 0.00 C ATOM 0 H LEU A 25 1.215 -3.481 13.011 1.00 0.00 H new ATOM 0 HA LEU A 25 2.768 -5.381 11.702 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.389 -4.391 13.845 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.955 -5.032 14.623 1.00 0.00 H new ATOM 0 HG LEU A 25 2.859 -7.354 14.312 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.252 -7.691 13.775 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.338 -7.021 12.402 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.393 -5.964 13.369 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.585 -7.203 16.110 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.659 -5.441 15.871 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.160 -6.197 16.463 1.00 0.00 H new ATOM 409 N ASP A 26 0.066 -6.695 13.139 1.00 0.00 N ATOM 410 CA ASP A 26 -0.833 -7.874 13.205 1.00 0.00 C ATOM 411 C ASP A 26 -1.347 -8.274 11.802 1.00 0.00 C ATOM 412 O ASP A 26 -1.369 -9.462 11.444 1.00 0.00 O ATOM 413 CB ASP A 26 -2.021 -7.554 14.151 1.00 0.00 C ATOM 414 CG ASP A 26 -2.978 -8.740 14.388 1.00 0.00 C ATOM 415 OD1 ASP A 26 -2.674 -9.603 15.238 1.00 0.00 O ATOM 416 OD2 ASP A 26 -4.022 -8.826 13.715 1.00 0.00 O ATOM 0 H ASP A 26 -0.249 -5.912 13.712 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.271 -8.722 13.596 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.627 -7.222 15.112 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.588 -6.722 13.735 1.00 0.00 H new ATOM 421 N GLU A 27 -1.718 -7.247 11.015 1.00 0.00 N ATOM 422 CA GLU A 27 -2.257 -7.417 9.654 1.00 0.00 C ATOM 423 C GLU A 27 -1.149 -7.827 8.651 1.00 0.00 C ATOM 424 O GLU A 27 -1.408 -8.537 7.680 1.00 0.00 O ATOM 425 CB GLU A 27 -2.976 -6.112 9.221 1.00 0.00 C ATOM 426 CG GLU A 27 -4.156 -5.723 10.141 1.00 0.00 C ATOM 427 CD GLU A 27 -4.970 -4.509 9.652 1.00 0.00 C ATOM 428 OE1 GLU A 27 -5.742 -4.653 8.683 1.00 0.00 O ATOM 429 OE2 GLU A 27 -4.852 -3.413 10.230 1.00 0.00 O ATOM 0 H GLU A 27 -1.652 -6.272 11.307 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.983 -8.230 9.657 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.253 -5.296 9.206 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.344 -6.230 8.202 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.824 -6.579 10.236 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.769 -5.508 11.137 1.00 0.00 H new ATOM 436 N TYR A 28 0.082 -7.378 8.926 1.00 0.00 N ATOM 437 CA TYR A 28 1.294 -7.776 8.181 1.00 0.00 C ATOM 438 C TYR A 28 1.586 -9.288 8.362 1.00 0.00 C ATOM 439 O TYR A 28 1.955 -9.984 7.403 1.00 0.00 O ATOM 440 CB TYR A 28 2.474 -6.903 8.693 1.00 0.00 C ATOM 441 CG TYR A 28 3.899 -7.292 8.236 1.00 0.00 C ATOM 442 CD1 TYR A 28 4.672 -8.197 8.978 1.00 0.00 C ATOM 443 CD2 TYR A 28 4.487 -6.717 7.108 1.00 0.00 C ATOM 444 CE1 TYR A 28 5.956 -8.513 8.606 1.00 0.00 C ATOM 445 CE2 TYR A 28 5.778 -7.039 6.734 1.00 0.00 C ATOM 446 CZ TYR A 28 6.506 -7.935 7.487 1.00 0.00 C ATOM 447 OH TYR A 28 7.788 -8.263 7.112 1.00 0.00 O ATOM 0 H TYR A 28 0.272 -6.719 9.681 1.00 0.00 H new ATOM 0 HA TYR A 28 1.151 -7.614 7.113 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.290 -5.874 8.384 1.00 0.00 H new ATOM 0 HB3 TYR A 28 2.455 -6.916 9.783 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.249 -8.655 9.860 1.00 0.00 H new ATOM 0 HD2 TYR A 28 3.924 -6.009 6.518 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.532 -9.214 9.192 1.00 0.00 H new ATOM 0 HE2 TYR A 28 6.215 -6.590 5.854 1.00 0.00 H new ATOM 0 HH TYR A 28 7.891 -9.238 7.117 1.00 0.00 H new ATOM 457 N GLU A 29 1.392 -9.774 9.604 1.00 0.00 N ATOM 458 CA GLU A 29 1.800 -11.131 10.027 1.00 0.00 C ATOM 459 C GLU A 29 0.871 -12.232 9.483 1.00 0.00 C ATOM 460 O GLU A 29 1.361 -13.281 9.047 1.00 0.00 O ATOM 461 CB GLU A 29 1.882 -11.198 11.575 1.00 0.00 C ATOM 462 CG GLU A 29 2.941 -10.248 12.175 1.00 0.00 C ATOM 463 CD GLU A 29 3.011 -10.271 13.711 1.00 0.00 C ATOM 464 OE1 GLU A 29 1.968 -10.069 14.367 1.00 0.00 O ATOM 465 OE2 GLU A 29 4.105 -10.495 14.269 1.00 0.00 O ATOM 0 H GLU A 29 0.946 -9.235 10.346 1.00 0.00 H new ATOM 0 HA GLU A 29 2.785 -11.321 9.600 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.906 -10.953 11.994 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.110 -12.221 11.875 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.919 -10.513 11.774 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.727 -9.231 11.847 1.00 0.00 H new ATOM 472 N GLU A 30 -0.461 -11.997 9.536 1.00 0.00 N ATOM 473 CA GLU A 30 -1.470 -12.936 8.971 1.00 0.00 C ATOM 474 C GLU A 30 -1.173 -13.240 7.476 1.00 0.00 C ATOM 475 O GLU A 30 -1.096 -14.413 7.076 1.00 0.00 O ATOM 476 CB GLU A 30 -2.932 -12.397 9.150 1.00 0.00 C ATOM 477 CG GLU A 30 -3.146 -10.926 8.716 1.00 0.00 C ATOM 478 CD GLU A 30 -4.618 -10.484 8.528 1.00 0.00 C ATOM 479 OE1 GLU A 30 -5.512 -11.014 9.215 1.00 0.00 O ATOM 480 OE2 GLU A 30 -4.882 -9.603 7.675 1.00 0.00 O ATOM 0 H GLU A 30 -0.867 -11.165 9.964 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.394 -13.868 9.532 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.609 -13.031 8.578 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.213 -12.495 10.198 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.684 -10.277 9.460 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.615 -10.763 7.778 1.00 0.00 H new ATOM 487 N LEU A 31 -0.971 -12.170 6.685 1.00 0.00 N ATOM 488 CA LEU A 31 -0.591 -12.251 5.260 1.00 0.00 C ATOM 489 C LEU A 31 -0.228 -10.845 4.764 1.00 0.00 C ATOM 490 O LEU A 31 -0.799 -9.855 5.234 1.00 0.00 O ATOM 491 CB LEU A 31 -1.711 -12.874 4.350 1.00 0.00 C ATOM 492 CG LEU A 31 -2.925 -11.969 3.936 1.00 0.00 C ATOM 493 CD1 LEU A 31 -3.822 -12.675 2.900 1.00 0.00 C ATOM 494 CD2 LEU A 31 -3.756 -11.514 5.145 1.00 0.00 C ATOM 0 H LEU A 31 -1.068 -11.212 7.021 1.00 0.00 H new ATOM 0 HA LEU A 31 0.265 -12.922 5.187 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.236 -13.231 3.436 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.109 -13.748 4.865 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.502 -11.075 3.477 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.654 -12.022 2.634 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.238 -12.901 2.008 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.209 -13.601 3.325 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.583 -10.891 4.804 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.150 -12.387 5.665 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.126 -10.940 5.825 1.00 0.00 H new ATOM 506 N HIS A 32 0.710 -10.761 3.818 1.00 0.00 N ATOM 507 CA HIS A 32 1.098 -9.484 3.190 1.00 0.00 C ATOM 508 C HIS A 32 1.898 -9.773 1.914 1.00 0.00 C ATOM 509 O HIS A 32 2.232 -10.920 1.633 1.00 0.00 O ATOM 510 CB HIS A 32 1.923 -8.601 4.173 1.00 0.00 C ATOM 511 CG HIS A 32 3.331 -9.086 4.403 1.00 0.00 C ATOM 512 ND1 HIS A 32 3.635 -10.281 5.013 1.00 0.00 N ATOM 513 CD2 HIS A 32 4.517 -8.551 4.036 1.00 0.00 C ATOM 514 CE1 HIS A 32 4.941 -10.450 5.001 1.00 0.00 C ATOM 515 NE2 HIS A 32 5.496 -9.418 4.418 1.00 0.00 N ATOM 0 H HIS A 32 1.223 -11.568 3.463 1.00 0.00 H new ATOM 0 HA HIS A 32 0.197 -8.927 2.933 1.00 0.00 H new ATOM 0 HB2 HIS A 32 1.960 -7.583 3.786 1.00 0.00 H new ATOM 0 HB3 HIS A 32 1.404 -8.560 5.130 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.662 -7.607 3.531 1.00 0.00 H new ATOM 0 HE1 HIS A 32 5.468 -11.301 5.406 1.00 0.00 H new ATOM 0 HE2 HIS A 32 6.497 -9.285 4.273 1.00 0.00 H new ATOM 524 N LEU A 33 2.209 -8.720 1.161 1.00 0.00 N ATOM 525 CA LEU A 33 3.013 -8.814 -0.071 1.00 0.00 C ATOM 526 C LEU A 33 4.516 -8.791 0.249 1.00 0.00 C ATOM 527 O LEU A 33 4.936 -8.072 1.153 1.00 0.00 O ATOM 528 CB LEU A 33 2.647 -7.629 -0.985 1.00 0.00 C ATOM 529 CG LEU A 33 1.208 -7.667 -1.545 1.00 0.00 C ATOM 530 CD1 LEU A 33 0.777 -6.280 -2.037 1.00 0.00 C ATOM 531 CD2 LEU A 33 1.066 -8.741 -2.658 1.00 0.00 C ATOM 0 H LEU A 33 1.912 -7.770 1.383 1.00 0.00 H new ATOM 0 HA LEU A 33 2.796 -9.757 -0.572 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.781 -6.702 -0.427 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.347 -7.602 -1.820 1.00 0.00 H new ATOM 0 HG LEU A 33 0.537 -7.952 -0.735 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.240 -6.332 -2.427 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.812 -5.573 -1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.452 -5.948 -2.826 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.042 -8.744 -3.032 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.750 -8.511 -3.475 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.305 -9.723 -2.249 1.00 0.00 H new ATOM 543 N PRO A 34 5.359 -9.528 -0.530 1.00 0.00 N ATOM 544 CA PRO A 34 6.832 -9.523 -0.335 1.00 0.00 C ATOM 545 C PRO A 34 7.476 -8.207 -0.867 1.00 0.00 C ATOM 546 O PRO A 34 8.683 -8.003 -0.754 1.00 0.00 O ATOM 547 CB PRO A 34 7.275 -10.762 -1.154 1.00 0.00 C ATOM 548 CG PRO A 34 6.286 -10.827 -2.281 1.00 0.00 C ATOM 549 CD PRO A 34 4.961 -10.396 -1.680 1.00 0.00 C ATOM 0 HA PRO A 34 7.137 -9.566 0.710 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.294 -10.652 -1.524 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.251 -11.669 -0.550 1.00 0.00 H new ATOM 0 HG2 PRO A 34 6.579 -10.169 -3.099 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.222 -11.835 -2.690 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.353 -9.851 -2.401 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.373 -11.253 -1.350 1.00 0.00 H new ATOM 557 N ASN A 35 6.630 -7.344 -1.475 1.00 0.00 N ATOM 558 CA ASN A 35 7.004 -6.002 -1.971 1.00 0.00 C ATOM 559 C ASN A 35 6.585 -4.909 -0.967 1.00 0.00 C ATOM 560 O ASN A 35 6.953 -3.735 -1.128 1.00 0.00 O ATOM 561 CB ASN A 35 6.296 -5.739 -3.329 1.00 0.00 C ATOM 562 CG ASN A 35 6.453 -6.892 -4.314 1.00 0.00 C ATOM 563 OD1 ASN A 35 5.586 -7.763 -4.422 1.00 0.00 O ATOM 564 ND2 ASN A 35 7.576 -6.932 -4.990 1.00 0.00 N ATOM 0 H ASN A 35 5.648 -7.567 -1.637 1.00 0.00 H new ATOM 0 HA ASN A 35 8.086 -5.969 -2.095 1.00 0.00 H new ATOM 0 HB2 ASN A 35 5.235 -5.562 -3.151 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.701 -4.830 -3.774 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.757 -7.703 -5.633 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.268 -6.192 -4.873 1.00 0.00 H new ATOM 571 N ALA A 36 5.797 -5.319 0.052 1.00 0.00 N ATOM 572 CA ALA A 36 5.110 -4.402 0.988 1.00 0.00 C ATOM 573 C ALA A 36 5.960 -4.080 2.233 1.00 0.00 C ATOM 574 O ALA A 36 6.406 -4.988 2.944 1.00 0.00 O ATOM 575 CB ALA A 36 3.751 -4.989 1.404 1.00 0.00 C ATOM 0 H ALA A 36 5.619 -6.304 0.249 1.00 0.00 H new ATOM 0 HA ALA A 36 4.953 -3.462 0.459 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.255 -4.305 2.093 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.129 -5.128 0.520 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.905 -5.950 1.895 1.00 0.00 H new ATOM 581 N THR A 37 6.158 -2.771 2.475 1.00 0.00 N ATOM 582 CA THR A 37 6.825 -2.231 3.670 1.00 0.00 C ATOM 583 C THR A 37 5.804 -2.088 4.817 1.00 0.00 C ATOM 584 O THR A 37 4.696 -1.597 4.594 1.00 0.00 O ATOM 585 CB THR A 37 7.449 -0.833 3.343 1.00 0.00 C ATOM 586 OG1 THR A 37 8.347 -0.957 2.225 1.00 0.00 O ATOM 587 CG2 THR A 37 8.190 -0.216 4.546 1.00 0.00 C ATOM 0 H THR A 37 5.851 -2.044 1.829 1.00 0.00 H new ATOM 0 HA THR A 37 7.617 -2.914 3.976 1.00 0.00 H new ATOM 0 HB THR A 37 6.628 -0.160 3.096 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.555 -0.067 1.872 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.602 0.752 4.262 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.493 -0.085 5.374 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.999 -0.879 4.854 1.00 0.00 H new ATOM 595 N LEU A 38 6.178 -2.520 6.036 1.00 0.00 N ATOM 596 CA LEU A 38 5.300 -2.418 7.218 1.00 0.00 C ATOM 597 C LEU A 38 5.256 -0.946 7.698 1.00 0.00 C ATOM 598 O LEU A 38 6.226 -0.441 8.286 1.00 0.00 O ATOM 599 CB LEU A 38 5.793 -3.358 8.373 1.00 0.00 C ATOM 600 CG LEU A 38 4.708 -3.930 9.361 1.00 0.00 C ATOM 601 CD1 LEU A 38 5.366 -4.755 10.488 1.00 0.00 C ATOM 602 CD2 LEU A 38 3.764 -2.854 9.945 1.00 0.00 C ATOM 0 H LEU A 38 7.085 -2.944 6.229 1.00 0.00 H new ATOM 0 HA LEU A 38 4.297 -2.739 6.938 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.313 -4.202 7.920 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.528 -2.809 8.962 1.00 0.00 H new ATOM 0 HG LEU A 38 4.078 -4.586 8.761 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.595 -5.138 11.156 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.917 -5.589 10.054 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.051 -4.121 11.051 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.045 -3.326 10.615 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.348 -2.119 10.498 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.232 -2.358 9.134 1.00 0.00 H new ATOM 614 N ILE A 39 4.137 -0.268 7.392 1.00 0.00 N ATOM 615 CA ILE A 39 3.799 1.064 7.933 1.00 0.00 C ATOM 616 C ILE A 39 2.317 1.058 8.332 1.00 0.00 C ATOM 617 O ILE A 39 1.475 0.512 7.621 1.00 0.00 O ATOM 618 CB ILE A 39 4.062 2.233 6.895 1.00 0.00 C ATOM 619 CG1 ILE A 39 5.566 2.278 6.468 1.00 0.00 C ATOM 620 CG2 ILE A 39 3.615 3.609 7.460 1.00 0.00 C ATOM 621 CD1 ILE A 39 5.912 3.328 5.423 1.00 0.00 C ATOM 0 H ILE A 39 3.430 -0.633 6.753 1.00 0.00 H new ATOM 0 HA ILE A 39 4.443 1.254 8.792 1.00 0.00 H new ATOM 0 HB ILE A 39 3.460 2.023 6.011 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.174 2.457 7.355 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.847 1.298 6.082 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.810 4.386 6.721 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.549 3.581 7.684 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.172 3.826 8.371 1.00 0.00 H new ATOM 0 HD11 ILE A 39 6.977 3.278 5.195 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.338 3.141 4.516 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.670 4.318 5.808 1.00 0.00 H new ATOM 633 N SER A 40 1.993 1.658 9.471 1.00 0.00 N ATOM 634 CA SER A 40 0.595 1.830 9.875 1.00 0.00 C ATOM 635 C SER A 40 0.029 3.088 9.194 1.00 0.00 C ATOM 636 O SER A 40 0.713 4.119 9.127 1.00 0.00 O ATOM 637 CB SER A 40 0.469 1.930 11.406 1.00 0.00 C ATOM 638 OG SER A 40 -0.891 2.014 11.793 1.00 0.00 O ATOM 0 H SER A 40 2.673 2.034 10.132 1.00 0.00 H new ATOM 0 HA SER A 40 0.021 0.959 9.561 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.931 1.059 11.871 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.009 2.807 11.764 1.00 0.00 H new ATOM 0 HG SER A 40 -1.388 1.263 11.407 1.00 0.00 H new ATOM 644 N VAL A 41 -1.213 2.982 8.678 1.00 0.00 N ATOM 645 CA VAL A 41 -1.955 4.113 8.067 1.00 0.00 C ATOM 646 C VAL A 41 -2.122 5.301 9.061 1.00 0.00 C ATOM 647 O VAL A 41 -2.281 6.457 8.645 1.00 0.00 O ATOM 648 CB VAL A 41 -3.359 3.618 7.530 1.00 0.00 C ATOM 649 CG1 VAL A 41 -4.220 3.017 8.670 1.00 0.00 C ATOM 650 CG2 VAL A 41 -4.114 4.739 6.765 1.00 0.00 C ATOM 0 H VAL A 41 -1.735 2.106 8.672 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.369 4.483 7.225 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.168 2.820 6.812 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.178 2.687 8.267 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.699 2.167 9.110 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.390 3.774 9.435 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.073 4.357 6.413 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.283 5.585 7.432 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.517 5.063 5.912 1.00 0.00 H new ATOM 660 N ASN A 42 -2.050 4.992 10.373 1.00 0.00 N ATOM 661 CA ASN A 42 -2.114 5.987 11.464 1.00 0.00 C ATOM 662 C ASN A 42 -0.875 6.909 11.470 1.00 0.00 C ATOM 663 O ASN A 42 -0.989 8.113 11.727 1.00 0.00 O ATOM 664 CB ASN A 42 -2.229 5.266 12.837 1.00 0.00 C ATOM 665 CG ASN A 42 -3.522 4.464 12.990 1.00 0.00 C ATOM 666 OD1 ASN A 42 -4.527 4.971 13.491 1.00 0.00 O ATOM 667 ND2 ASN A 42 -3.510 3.218 12.551 1.00 0.00 N ATOM 0 H ASN A 42 -1.945 4.034 10.708 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.996 6.604 11.294 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.377 4.597 12.961 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.172 6.006 13.635 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -4.350 2.644 12.622 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.660 2.830 12.141 1.00 0.00 H new ATOM 674 N ASP A 43 0.305 6.321 11.197 1.00 0.00 N ATOM 675 CA ASP A 43 1.600 7.030 11.254 1.00 0.00 C ATOM 676 C ASP A 43 1.841 7.863 9.990 1.00 0.00 C ATOM 677 O ASP A 43 2.451 7.389 9.023 1.00 0.00 O ATOM 678 CB ASP A 43 2.769 6.030 11.478 1.00 0.00 C ATOM 679 CG ASP A 43 2.765 5.409 12.879 1.00 0.00 C ATOM 680 OD1 ASP A 43 2.043 4.413 13.104 1.00 0.00 O ATOM 681 OD2 ASP A 43 3.478 5.925 13.769 1.00 0.00 O ATOM 0 H ASP A 43 0.389 5.340 10.930 1.00 0.00 H new ATOM 0 HA ASP A 43 1.561 7.714 12.102 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.708 5.236 10.734 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.716 6.545 11.317 1.00 0.00 H new ATOM 686 N GLN A 44 1.345 9.113 10.011 1.00 0.00 N ATOM 687 CA GLN A 44 1.665 10.122 8.981 1.00 0.00 C ATOM 688 C GLN A 44 3.160 10.482 9.022 1.00 0.00 C ATOM 689 O GLN A 44 3.713 10.898 8.015 1.00 0.00 O ATOM 690 CB GLN A 44 0.798 11.415 9.142 1.00 0.00 C ATOM 691 CG GLN A 44 -0.618 11.342 8.533 1.00 0.00 C ATOM 692 CD GLN A 44 -1.543 10.354 9.242 1.00 0.00 C ATOM 693 OE1 GLN A 44 -2.253 10.714 10.182 1.00 0.00 O ATOM 694 NE2 GLN A 44 -1.562 9.112 8.791 1.00 0.00 N ATOM 0 H GLN A 44 0.714 9.453 10.737 1.00 0.00 H new ATOM 0 HA GLN A 44 1.429 9.681 8.013 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.707 11.641 10.204 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.330 12.248 8.683 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.069 12.334 8.564 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.538 11.061 7.483 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -0.962 8.844 8.011 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.176 8.422 9.223 1.00 0.00 H new ATOM 703 N GLU A 45 3.792 10.321 10.202 1.00 0.00 N ATOM 704 CA GLU A 45 5.232 10.594 10.390 1.00 0.00 C ATOM 705 C GLU A 45 6.106 9.570 9.629 1.00 0.00 C ATOM 706 O GLU A 45 7.100 9.942 9.009 1.00 0.00 O ATOM 707 CB GLU A 45 5.602 10.621 11.900 1.00 0.00 C ATOM 708 CG GLU A 45 5.328 9.311 12.676 1.00 0.00 C ATOM 709 CD GLU A 45 5.888 9.331 14.113 1.00 0.00 C ATOM 710 OE1 GLU A 45 7.122 9.192 14.276 1.00 0.00 O ATOM 711 OE2 GLU A 45 5.108 9.494 15.078 1.00 0.00 O ATOM 0 H GLU A 45 3.322 10.000 11.048 1.00 0.00 H new ATOM 0 HA GLU A 45 5.436 11.580 9.972 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.661 10.863 11.993 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.047 11.429 12.378 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.253 9.136 12.714 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.768 8.475 12.132 1.00 0.00 H new ATOM 718 N LYS A 46 5.695 8.291 9.668 1.00 0.00 N ATOM 719 CA LYS A 46 6.423 7.175 9.027 1.00 0.00 C ATOM 720 C LYS A 46 6.126 7.138 7.516 1.00 0.00 C ATOM 721 O LYS A 46 6.999 6.807 6.716 1.00 0.00 O ATOM 722 CB LYS A 46 6.039 5.837 9.722 1.00 0.00 C ATOM 723 CG LYS A 46 6.767 4.547 9.242 1.00 0.00 C ATOM 724 CD LYS A 46 8.312 4.523 9.493 1.00 0.00 C ATOM 725 CE LYS A 46 9.144 4.982 8.278 1.00 0.00 C ATOM 726 NZ LYS A 46 10.609 4.967 8.551 1.00 0.00 N ATOM 0 H LYS A 46 4.844 7.997 10.147 1.00 0.00 H new ATOM 0 HA LYS A 46 7.497 7.324 9.143 1.00 0.00 H new ATOM 0 HB2 LYS A 46 6.220 5.948 10.791 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.967 5.686 9.594 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.320 3.689 9.743 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.586 4.423 8.174 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.543 5.164 10.344 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.611 3.511 9.766 1.00 0.00 H new ATOM 0 HE2 LYS A 46 8.929 4.333 7.429 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.841 5.990 7.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.056 5.786 8.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.771 5.014 9.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.023 4.090 8.175 1.00 0.00 H new ATOM 740 N LEU A 47 4.884 7.486 7.146 1.00 0.00 N ATOM 741 CA LEU A 47 4.468 7.632 5.740 1.00 0.00 C ATOM 742 C LEU A 47 5.239 8.782 5.057 1.00 0.00 C ATOM 743 O LEU A 47 5.754 8.620 3.947 1.00 0.00 O ATOM 744 CB LEU A 47 2.937 7.871 5.678 1.00 0.00 C ATOM 745 CG LEU A 47 2.048 6.606 5.889 1.00 0.00 C ATOM 746 CD1 LEU A 47 0.569 6.984 6.140 1.00 0.00 C ATOM 747 CD2 LEU A 47 2.185 5.633 4.688 1.00 0.00 C ATOM 0 H LEU A 47 4.137 7.675 7.814 1.00 0.00 H new ATOM 0 HA LEU A 47 4.704 6.715 5.199 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.672 8.610 6.434 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.694 8.306 4.709 1.00 0.00 H new ATOM 0 HG LEU A 47 2.405 6.094 6.783 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.019 6.077 6.282 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.499 7.606 7.032 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.184 7.535 5.282 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.557 4.758 4.855 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.870 6.136 3.774 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.225 5.320 4.590 1.00 0.00 H new ATOM 759 N ALA A 48 5.321 9.928 5.758 1.00 0.00 N ATOM 760 CA ALA A 48 6.038 11.126 5.286 1.00 0.00 C ATOM 761 C ALA A 48 7.539 10.858 5.155 1.00 0.00 C ATOM 762 O ALA A 48 8.150 11.233 4.159 1.00 0.00 O ATOM 763 CB ALA A 48 5.804 12.303 6.238 1.00 0.00 C ATOM 0 H ALA A 48 4.889 10.049 6.674 1.00 0.00 H new ATOM 0 HA ALA A 48 5.645 11.379 4.301 1.00 0.00 H new ATOM 0 HB1 ALA A 48 6.341 13.178 5.873 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.738 12.525 6.286 1.00 0.00 H new ATOM 0 HB3 ALA A 48 6.166 12.044 7.233 1.00 0.00 H new ATOM 769 N ASP A 49 8.102 10.195 6.182 1.00 0.00 N ATOM 770 CA ASP A 49 9.534 9.850 6.249 1.00 0.00 C ATOM 771 C ASP A 49 9.926 8.891 5.122 1.00 0.00 C ATOM 772 O ASP A 49 10.946 9.101 4.460 1.00 0.00 O ATOM 773 CB ASP A 49 9.875 9.218 7.620 1.00 0.00 C ATOM 774 CG ASP A 49 11.314 8.668 7.699 1.00 0.00 C ATOM 775 OD1 ASP A 49 12.257 9.465 7.869 1.00 0.00 O ATOM 776 OD2 ASP A 49 11.502 7.443 7.569 1.00 0.00 O ATOM 0 H ASP A 49 7.572 9.881 6.995 1.00 0.00 H new ATOM 0 HA ASP A 49 10.103 10.772 6.129 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.736 9.965 8.401 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.173 8.409 7.824 1.00 0.00 H new ATOM 781 N PHE A 50 9.100 7.847 4.915 1.00 0.00 N ATOM 782 CA PHE A 50 9.346 6.815 3.893 1.00 0.00 C ATOM 783 C PHE A 50 9.424 7.454 2.505 1.00 0.00 C ATOM 784 O PHE A 50 10.269 7.094 1.683 1.00 0.00 O ATOM 785 CB PHE A 50 8.234 5.741 3.912 1.00 0.00 C ATOM 786 CG PHE A 50 8.483 4.572 2.948 1.00 0.00 C ATOM 787 CD1 PHE A 50 9.343 3.533 3.302 1.00 0.00 C ATOM 788 CD2 PHE A 50 7.866 4.514 1.695 1.00 0.00 C ATOM 789 CE1 PHE A 50 9.582 2.482 2.438 1.00 0.00 C ATOM 790 CE2 PHE A 50 8.111 3.462 0.834 1.00 0.00 C ATOM 791 CZ PHE A 50 8.961 2.443 1.210 1.00 0.00 C ATOM 0 H PHE A 50 8.245 7.697 5.451 1.00 0.00 H new ATOM 0 HA PHE A 50 10.296 6.333 4.122 1.00 0.00 H new ATOM 0 HB2 PHE A 50 8.137 5.350 4.925 1.00 0.00 H new ATOM 0 HB3 PHE A 50 7.284 6.211 3.660 1.00 0.00 H new ATOM 0 HD1 PHE A 50 9.829 3.550 4.266 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.190 5.301 1.397 1.00 0.00 H new ATOM 0 HE1 PHE A 50 10.257 1.690 2.726 1.00 0.00 H new ATOM 0 HE2 PHE A 50 7.636 3.437 -0.136 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.139 1.614 0.541 1.00 0.00 H new ATOM 801 N LEU A 51 8.522 8.410 2.272 1.00 0.00 N ATOM 802 CA LEU A 51 8.464 9.146 1.015 1.00 0.00 C ATOM 803 C LEU A 51 9.593 10.183 0.917 1.00 0.00 C ATOM 804 O LEU A 51 10.119 10.392 -0.161 1.00 0.00 O ATOM 805 CB LEU A 51 7.073 9.771 0.835 1.00 0.00 C ATOM 806 CG LEU A 51 5.918 8.731 0.694 1.00 0.00 C ATOM 807 CD1 LEU A 51 4.557 9.416 0.597 1.00 0.00 C ATOM 808 CD2 LEU A 51 6.143 7.786 -0.508 1.00 0.00 C ATOM 0 H LEU A 51 7.814 8.692 2.950 1.00 0.00 H new ATOM 0 HA LEU A 51 8.622 8.449 0.192 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.864 10.416 1.688 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.084 10.407 -0.050 1.00 0.00 H new ATOM 0 HG LEU A 51 5.925 8.124 1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.776 8.662 0.500 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.382 10.006 1.497 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.540 10.070 -0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.318 7.077 -0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.192 8.371 -1.427 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.079 7.243 -0.374 1.00 0.00 H new ATOM 820 N SER A 52 10.001 10.753 2.066 1.00 0.00 N ATOM 821 CA SER A 52 11.064 11.776 2.137 1.00 0.00 C ATOM 822 C SER A 52 12.453 11.182 1.799 1.00 0.00 C ATOM 823 O SER A 52 13.340 11.920 1.363 1.00 0.00 O ATOM 824 CB SER A 52 11.086 12.429 3.539 1.00 0.00 C ATOM 825 OG SER A 52 12.068 13.455 3.633 1.00 0.00 O ATOM 0 H SER A 52 9.602 10.517 2.975 1.00 0.00 H new ATOM 0 HA SER A 52 10.840 12.539 1.391 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.104 12.846 3.760 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.285 11.666 4.291 1.00 0.00 H new ATOM 0 HG SER A 52 12.050 13.844 4.532 1.00 0.00 H new ATOM 831 N GLN A 53 12.610 9.846 1.995 1.00 0.00 N ATOM 832 CA GLN A 53 13.882 9.099 1.758 1.00 0.00 C ATOM 833 C GLN A 53 14.514 9.414 0.382 1.00 0.00 C ATOM 834 O GLN A 53 15.734 9.583 0.269 1.00 0.00 O ATOM 835 CB GLN A 53 13.643 7.560 1.892 1.00 0.00 C ATOM 836 CG GLN A 53 13.221 7.085 3.305 1.00 0.00 C ATOM 837 CD GLN A 53 14.248 7.392 4.408 1.00 0.00 C ATOM 838 OE1 GLN A 53 15.455 7.420 4.171 1.00 0.00 O ATOM 839 NE2 GLN A 53 13.774 7.613 5.622 1.00 0.00 N ATOM 0 H GLN A 53 11.852 9.249 2.325 1.00 0.00 H new ATOM 0 HA GLN A 53 14.586 9.431 2.521 1.00 0.00 H new ATOM 0 HB2 GLN A 53 12.873 7.264 1.180 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.557 7.039 1.608 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.273 7.556 3.566 1.00 0.00 H new ATOM 0 HG3 GLN A 53 13.046 6.010 3.277 1.00 0.00 H new ATOM 0 HE21 GLN A 53 12.768 7.584 5.790 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.414 7.813 6.391 1.00 0.00 H new ATOM 848 N HIS A 54 13.663 9.492 -0.654 1.00 0.00 N ATOM 849 CA HIS A 54 14.085 9.814 -2.043 1.00 0.00 C ATOM 850 C HIS A 54 13.101 10.798 -2.702 1.00 0.00 C ATOM 851 O HIS A 54 13.160 11.003 -3.913 1.00 0.00 O ATOM 852 CB HIS A 54 14.226 8.497 -2.880 1.00 0.00 C ATOM 853 CG HIS A 54 15.552 7.793 -2.687 1.00 0.00 C ATOM 854 ND1 HIS A 54 16.647 8.040 -3.478 1.00 0.00 N ATOM 855 CD2 HIS A 54 15.971 6.898 -1.754 1.00 0.00 C ATOM 856 CE1 HIS A 54 17.675 7.346 -3.044 1.00 0.00 C ATOM 857 NE2 HIS A 54 17.293 6.643 -1.997 1.00 0.00 N ATOM 0 H HIS A 54 12.660 9.335 -0.560 1.00 0.00 H new ATOM 0 HA HIS A 54 15.059 10.303 -2.010 1.00 0.00 H new ATOM 0 HB2 HIS A 54 13.420 7.816 -2.608 1.00 0.00 H new ATOM 0 HB3 HIS A 54 14.100 8.733 -3.937 1.00 0.00 H new ATOM 0 HD2 HIS A 54 15.371 6.467 -0.966 1.00 0.00 H new ATOM 0 HE1 HIS A 54 18.666 7.351 -3.473 1.00 0.00 H new ATOM 0 HE2 HIS A 54 17.885 6.013 -1.457 1.00 0.00 H new ATOM 866 N LYS A 55 12.268 11.447 -1.856 1.00 0.00 N ATOM 867 CA LYS A 55 11.140 12.318 -2.220 1.00 0.00 C ATOM 868 C LYS A 55 10.246 11.682 -3.306 1.00 0.00 C ATOM 869 O LYS A 55 9.210 11.077 -3.008 1.00 0.00 O ATOM 870 CB LYS A 55 11.615 13.780 -2.567 1.00 0.00 C ATOM 871 CG LYS A 55 10.987 14.902 -1.669 1.00 0.00 C ATOM 872 CD LYS A 55 9.893 15.747 -2.372 1.00 0.00 C ATOM 873 CE LYS A 55 8.715 14.931 -2.932 1.00 0.00 C ATOM 874 NZ LYS A 55 7.676 15.799 -3.556 1.00 0.00 N ATOM 0 H LYS A 55 12.376 11.369 -0.845 1.00 0.00 H new ATOM 0 HA LYS A 55 10.504 12.417 -1.341 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.700 13.826 -2.477 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.372 13.989 -3.609 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.557 14.441 -0.780 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.782 15.567 -1.331 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.506 16.479 -1.663 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.352 16.305 -3.188 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.086 14.221 -3.672 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.265 14.348 -2.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.779 15.691 -3.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.982 16.792 -3.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.541 15.520 -4.549 1.00 0.00 H new ATOM 888 N ASP A 56 10.703 11.794 -4.548 1.00 0.00 N ATOM 889 CA ASP A 56 9.989 11.320 -5.736 1.00 0.00 C ATOM 890 C ASP A 56 10.513 9.931 -6.161 1.00 0.00 C ATOM 891 O ASP A 56 11.552 9.812 -6.827 1.00 0.00 O ATOM 892 CB ASP A 56 10.130 12.353 -6.887 1.00 0.00 C ATOM 893 CG ASP A 56 9.522 11.884 -8.231 1.00 0.00 C ATOM 894 OD1 ASP A 56 8.293 11.676 -8.300 1.00 0.00 O ATOM 895 OD2 ASP A 56 10.283 11.691 -9.209 1.00 0.00 O ATOM 0 H ASP A 56 11.601 12.226 -4.766 1.00 0.00 H new ATOM 0 HA ASP A 56 8.930 11.217 -5.499 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.649 13.284 -6.587 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.187 12.574 -7.036 1.00 0.00 H new ATOM 900 N LYS A 57 9.817 8.889 -5.686 1.00 0.00 N ATOM 901 CA LYS A 57 9.960 7.499 -6.165 1.00 0.00 C ATOM 902 C LYS A 57 8.563 6.847 -6.192 1.00 0.00 C ATOM 903 O LYS A 57 7.646 7.311 -5.496 1.00 0.00 O ATOM 904 CB LYS A 57 10.945 6.659 -5.297 1.00 0.00 C ATOM 905 CG LYS A 57 10.471 6.328 -3.866 1.00 0.00 C ATOM 906 CD LYS A 57 10.544 7.528 -2.899 1.00 0.00 C ATOM 907 CE LYS A 57 9.920 7.212 -1.542 1.00 0.00 C ATOM 908 NZ LYS A 57 10.442 5.959 -0.937 1.00 0.00 N ATOM 0 H LYS A 57 9.124 8.986 -4.944 1.00 0.00 H new ATOM 0 HA LYS A 57 10.390 7.523 -7.166 1.00 0.00 H new ATOM 0 HB2 LYS A 57 11.149 5.723 -5.817 1.00 0.00 H new ATOM 0 HB3 LYS A 57 11.890 7.198 -5.230 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.443 5.967 -3.907 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.079 5.515 -3.470 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.586 7.818 -2.760 1.00 0.00 H new ATOM 0 HD3 LYS A 57 10.032 8.382 -3.343 1.00 0.00 H new ATOM 0 HE2 LYS A 57 10.107 8.042 -0.861 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.839 7.130 -1.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.493 6.067 0.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.807 5.170 -1.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 11.392 5.762 -1.312 1.00 0.00 H new ATOM 922 N LYS A 58 8.414 5.772 -6.977 1.00 0.00 N ATOM 923 CA LYS A 58 7.115 5.140 -7.236 1.00 0.00 C ATOM 924 C LYS A 58 6.751 4.172 -6.099 1.00 0.00 C ATOM 925 O LYS A 58 7.273 3.056 -6.022 1.00 0.00 O ATOM 926 CB LYS A 58 7.144 4.428 -8.601 1.00 0.00 C ATOM 927 CG LYS A 58 5.746 4.119 -9.177 1.00 0.00 C ATOM 928 CD LYS A 58 5.761 3.992 -10.712 1.00 0.00 C ATOM 929 CE LYS A 58 6.759 2.938 -11.219 1.00 0.00 C ATOM 930 NZ LYS A 58 6.653 2.724 -12.688 1.00 0.00 N ATOM 0 H LYS A 58 9.193 5.315 -7.451 1.00 0.00 H new ATOM 0 HA LYS A 58 6.341 5.907 -7.271 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.689 5.049 -9.312 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.699 3.495 -8.501 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.373 3.192 -8.742 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.053 4.909 -8.887 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.761 3.733 -11.059 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.010 4.959 -11.148 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.773 3.252 -10.972 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.582 1.995 -10.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.476 1.717 -12.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.868 3.292 -13.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.541 3.013 -13.146 1.00 0.00 H new ATOM 944 N VAL A 59 5.885 4.647 -5.195 1.00 0.00 N ATOM 945 CA VAL A 59 5.425 3.902 -4.017 1.00 0.00 C ATOM 946 C VAL A 59 3.926 3.612 -4.140 1.00 0.00 C ATOM 947 O VAL A 59 3.165 4.458 -4.614 1.00 0.00 O ATOM 948 CB VAL A 59 5.742 4.697 -2.695 1.00 0.00 C ATOM 949 CG1 VAL A 59 5.109 4.050 -1.442 1.00 0.00 C ATOM 950 CG2 VAL A 59 7.269 4.843 -2.520 1.00 0.00 C ATOM 0 H VAL A 59 5.476 5.579 -5.264 1.00 0.00 H new ATOM 0 HA VAL A 59 5.960 2.953 -3.967 1.00 0.00 H new ATOM 0 HB VAL A 59 5.291 5.684 -2.796 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.361 4.640 -0.561 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.026 4.015 -1.558 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.494 3.037 -1.322 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.479 5.394 -1.603 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.725 3.855 -2.462 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.683 5.384 -3.371 1.00 0.00 H new ATOM 960 N LEU A 60 3.526 2.407 -3.702 1.00 0.00 N ATOM 961 CA LEU A 60 2.142 1.934 -3.765 1.00 0.00 C ATOM 962 C LEU A 60 1.637 1.566 -2.358 1.00 0.00 C ATOM 963 O LEU A 60 1.998 0.519 -1.825 1.00 0.00 O ATOM 964 CB LEU A 60 2.050 0.696 -4.688 1.00 0.00 C ATOM 965 CG LEU A 60 0.622 0.094 -4.847 1.00 0.00 C ATOM 966 CD1 LEU A 60 -0.311 1.081 -5.560 1.00 0.00 C ATOM 967 CD2 LEU A 60 0.660 -1.260 -5.566 1.00 0.00 C ATOM 0 H LEU A 60 4.166 1.729 -3.290 1.00 0.00 H new ATOM 0 HA LEU A 60 1.519 2.733 -4.167 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.424 0.969 -5.675 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.712 -0.078 -4.299 1.00 0.00 H new ATOM 0 HG LEU A 60 0.222 -0.082 -3.849 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.302 0.638 -5.659 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.381 2.000 -4.979 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.086 1.307 -6.550 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.353 -1.651 -5.660 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.093 -1.133 -6.558 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.267 -1.960 -4.992 1.00 0.00 H new ATOM 979 N LEU A 61 0.797 2.421 -1.771 1.00 0.00 N ATOM 980 CA LEU A 61 0.189 2.162 -0.456 1.00 0.00 C ATOM 981 C LEU A 61 -1.024 1.214 -0.632 1.00 0.00 C ATOM 982 O LEU A 61 -2.096 1.651 -1.032 1.00 0.00 O ATOM 983 CB LEU A 61 -0.229 3.521 0.192 1.00 0.00 C ATOM 984 CG LEU A 61 0.871 4.641 0.214 1.00 0.00 C ATOM 985 CD1 LEU A 61 0.335 5.950 0.825 1.00 0.00 C ATOM 986 CD2 LEU A 61 2.146 4.184 0.953 1.00 0.00 C ATOM 0 H LEU A 61 0.518 3.309 -2.188 1.00 0.00 H new ATOM 0 HA LEU A 61 0.903 1.676 0.208 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.098 3.904 -0.343 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.545 3.330 1.218 1.00 0.00 H new ATOM 0 HG LEU A 61 1.139 4.834 -0.825 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.124 6.702 0.824 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.509 6.308 0.235 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.010 5.767 1.849 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.880 4.990 0.944 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.898 3.930 1.984 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.562 3.309 0.454 1.00 0.00 H new ATOM 998 N HIS A 62 -0.832 -0.100 -0.393 1.00 0.00 N ATOM 999 CA HIS A 62 -1.919 -1.102 -0.542 1.00 0.00 C ATOM 1000 C HIS A 62 -2.635 -1.306 0.809 1.00 0.00 C ATOM 1001 O HIS A 62 -1.986 -1.336 1.862 1.00 0.00 O ATOM 1002 CB HIS A 62 -1.382 -2.463 -1.101 1.00 0.00 C ATOM 1003 CG HIS A 62 -0.954 -3.481 -0.060 1.00 0.00 C ATOM 1004 ND1 HIS A 62 -1.828 -4.387 0.504 1.00 0.00 N ATOM 1005 CD2 HIS A 62 0.241 -3.724 0.523 1.00 0.00 C ATOM 1006 CE1 HIS A 62 -1.188 -5.131 1.378 1.00 0.00 C ATOM 1007 NE2 HIS A 62 0.071 -4.755 1.412 1.00 0.00 N ATOM 0 H HIS A 62 0.061 -0.495 -0.097 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.635 -0.718 -1.269 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.158 -2.911 -1.722 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.532 -2.257 -1.752 1.00 0.00 H new ATOM 0 HD2 HIS A 62 1.164 -3.200 0.325 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.625 -5.921 1.971 1.00 0.00 H new ATOM 0 HE2 HIS A 62 0.799 -5.161 2.000 1.00 0.00 H new ATOM 1016 N CYS A 63 -3.964 -1.479 0.764 1.00 0.00 N ATOM 1017 CA CYS A 63 -4.804 -1.697 1.976 1.00 0.00 C ATOM 1018 C CYS A 63 -5.511 -3.061 1.944 1.00 0.00 C ATOM 1019 O CYS A 63 -5.564 -3.707 0.892 1.00 0.00 O ATOM 1020 CB CYS A 63 -5.837 -0.567 2.130 1.00 0.00 C ATOM 1021 SG CYS A 63 -7.005 -0.797 3.488 1.00 0.00 S ATOM 0 H CYS A 63 -4.497 -1.474 -0.106 1.00 0.00 H new ATOM 0 HA CYS A 63 -4.137 -1.689 2.838 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -5.307 0.374 2.279 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.396 -0.474 1.199 1.00 0.00 H new ATOM 0 HG CYS A 63 -6.354 -1.082 4.577 1.00 0.00 H new ATOM 1027 N ARG A 64 -5.935 -3.521 3.151 1.00 0.00 N ATOM 1028 CA ARG A 64 -6.891 -4.644 3.348 1.00 0.00 C ATOM 1029 C ARG A 64 -8.028 -4.579 2.299 1.00 0.00 C ATOM 1030 O ARG A 64 -8.229 -5.517 1.529 1.00 0.00 O ATOM 1031 CB ARG A 64 -7.505 -4.558 4.788 1.00 0.00 C ATOM 1032 CG ARG A 64 -8.492 -5.697 5.170 1.00 0.00 C ATOM 1033 CD ARG A 64 -7.806 -6.939 5.762 1.00 0.00 C ATOM 1034 NE ARG A 64 -7.328 -6.700 7.140 1.00 0.00 N ATOM 1035 CZ ARG A 64 -7.556 -7.504 8.194 1.00 0.00 C ATOM 1036 NH1 ARG A 64 -8.241 -8.626 8.066 1.00 0.00 N ATOM 1037 NH2 ARG A 64 -7.106 -7.164 9.384 1.00 0.00 N ATOM 0 H ARG A 64 -5.616 -3.114 4.030 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.356 -5.586 3.228 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.689 -4.552 5.511 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.024 -3.605 4.885 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.214 -5.313 5.891 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.053 -5.991 4.283 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.505 -7.775 5.760 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.965 -7.225 5.130 1.00 0.00 H new ATOM 0 HE ARG A 64 -6.780 -5.856 7.305 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.609 -8.898 7.154 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.402 -9.221 8.879 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -6.587 -6.294 9.504 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -7.277 -7.771 10.186 1.00 0.00 H new ATOM 1051 N ALA A 65 -8.745 -3.434 2.268 1.00 0.00 N ATOM 1052 CA ALA A 65 -9.845 -3.194 1.314 1.00 0.00 C ATOM 1053 C ALA A 65 -9.436 -2.118 0.286 1.00 0.00 C ATOM 1054 O ALA A 65 -9.323 -2.414 -0.904 1.00 0.00 O ATOM 1055 CB ALA A 65 -11.130 -2.814 2.072 1.00 0.00 C ATOM 0 H ALA A 65 -8.576 -2.654 2.903 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.051 -4.110 0.760 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.935 -2.639 1.358 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.410 -3.626 2.743 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -10.956 -1.908 2.652 1.00 0.00 H new ATOM 1061 N GLY A 66 -9.193 -0.868 0.743 1.00 0.00 N ATOM 1062 CA GLY A 66 -8.714 0.191 -0.163 1.00 0.00 C ATOM 1063 C GLY A 66 -8.887 1.614 0.357 1.00 0.00 C ATOM 1064 O GLY A 66 -8.311 2.549 -0.216 1.00 0.00 O ATOM 0 H GLY A 66 -9.318 -0.576 1.712 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.657 0.022 -0.368 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -9.241 0.101 -1.113 1.00 0.00 H new ATOM 1068 N ARG A 67 -9.682 1.797 1.428 1.00 0.00 N ATOM 1069 CA ARG A 67 -9.964 3.141 1.980 1.00 0.00 C ATOM 1070 C ARG A 67 -8.732 3.670 2.746 1.00 0.00 C ATOM 1071 O ARG A 67 -8.415 4.854 2.647 1.00 0.00 O ATOM 1072 CB ARG A 67 -11.251 3.122 2.876 1.00 0.00 C ATOM 1073 CG ARG A 67 -11.939 4.505 3.087 1.00 0.00 C ATOM 1074 CD ARG A 67 -11.245 5.420 4.125 1.00 0.00 C ATOM 1075 NE ARG A 67 -11.412 6.847 3.795 1.00 0.00 N ATOM 1076 CZ ARG A 67 -10.801 7.856 4.426 1.00 0.00 C ATOM 1077 NH1 ARG A 67 -10.144 7.653 5.562 1.00 0.00 N ATOM 1078 NH2 ARG A 67 -10.873 9.085 3.930 1.00 0.00 N ATOM 0 H ARG A 67 -10.140 1.036 1.929 1.00 0.00 H new ATOM 0 HA ARG A 67 -10.163 3.826 1.156 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -11.974 2.440 2.429 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -10.988 2.713 3.852 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -11.977 5.027 2.131 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -12.970 4.339 3.401 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -11.658 5.225 5.115 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -10.183 5.179 4.169 1.00 0.00 H new ATOM 0 HE ARG A 67 -12.041 7.083 3.027 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -10.100 6.717 5.966 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.683 8.433 6.031 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -11.393 9.258 3.070 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.408 9.856 4.409 1.00 0.00 H new ATOM 1092 N ARG A 68 -8.045 2.785 3.502 1.00 0.00 N ATOM 1093 CA ARG A 68 -6.801 3.155 4.227 1.00 0.00 C ATOM 1094 C ARG A 68 -5.678 3.510 3.227 1.00 0.00 C ATOM 1095 O ARG A 68 -4.801 4.314 3.529 1.00 0.00 O ATOM 1096 CB ARG A 68 -6.322 2.002 5.151 1.00 0.00 C ATOM 1097 CG ARG A 68 -7.334 1.535 6.219 1.00 0.00 C ATOM 1098 CD ARG A 68 -7.738 2.638 7.222 1.00 0.00 C ATOM 1099 NE ARG A 68 -8.483 2.082 8.378 1.00 0.00 N ATOM 1100 CZ ARG A 68 -8.703 2.718 9.553 1.00 0.00 C ATOM 1101 NH1 ARG A 68 -8.273 3.956 9.754 1.00 0.00 N ATOM 1102 NH2 ARG A 68 -9.353 2.103 10.529 1.00 0.00 N ATOM 0 H ARG A 68 -8.326 1.813 3.628 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.028 4.025 4.844 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.059 1.147 4.528 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.410 2.321 5.656 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.230 1.165 5.720 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.906 0.696 6.769 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.845 3.151 7.578 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.353 3.382 6.716 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.862 1.140 8.279 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.767 4.446 9.017 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.449 4.418 10.646 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.689 1.149 10.396 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.518 2.583 11.414 1.00 0.00 H new ATOM 1116 N ALA A 69 -5.733 2.866 2.045 1.00 0.00 N ATOM 1117 CA ALA A 69 -4.809 3.128 0.927 1.00 0.00 C ATOM 1118 C ALA A 69 -4.967 4.573 0.431 1.00 0.00 C ATOM 1119 O ALA A 69 -3.990 5.327 0.363 1.00 0.00 O ATOM 1120 CB ALA A 69 -5.068 2.121 -0.208 1.00 0.00 C ATOM 0 H ALA A 69 -6.425 2.145 1.839 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.783 3.004 1.272 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.383 2.318 -1.033 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.909 1.108 0.161 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.095 2.223 -0.558 1.00 0.00 H new ATOM 1126 N LEU A 70 -6.227 4.927 0.103 1.00 0.00 N ATOM 1127 CA LEU A 70 -6.633 6.288 -0.301 1.00 0.00 C ATOM 1128 C LEU A 70 -6.229 7.320 0.764 1.00 0.00 C ATOM 1129 O LEU A 70 -5.546 8.285 0.453 1.00 0.00 O ATOM 1130 CB LEU A 70 -8.173 6.316 -0.549 1.00 0.00 C ATOM 1131 CG LEU A 70 -8.836 7.717 -0.793 1.00 0.00 C ATOM 1132 CD1 LEU A 70 -8.281 8.418 -2.057 1.00 0.00 C ATOM 1133 CD2 LEU A 70 -10.376 7.599 -0.862 1.00 0.00 C ATOM 0 H LEU A 70 -7.002 4.264 0.112 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.119 6.554 -1.225 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -8.387 5.686 -1.412 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.662 5.856 0.310 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.576 8.342 0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.771 9.383 -2.182 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.207 8.568 -1.948 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.474 7.797 -2.932 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.809 8.585 -1.032 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.654 6.935 -1.680 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.752 7.194 0.077 1.00 0.00 H new ATOM 1145 N ASP A 71 -6.619 7.046 2.021 1.00 0.00 N ATOM 1146 CA ASP A 71 -6.447 7.960 3.173 1.00 0.00 C ATOM 1147 C ASP A 71 -4.971 8.325 3.406 1.00 0.00 C ATOM 1148 O ASP A 71 -4.622 9.513 3.509 1.00 0.00 O ATOM 1149 CB ASP A 71 -7.039 7.297 4.444 1.00 0.00 C ATOM 1150 CG ASP A 71 -6.865 8.146 5.719 1.00 0.00 C ATOM 1151 OD1 ASP A 71 -7.664 9.085 5.933 1.00 0.00 O ATOM 1152 OD2 ASP A 71 -5.937 7.874 6.508 1.00 0.00 O ATOM 0 H ASP A 71 -7.072 6.168 2.274 1.00 0.00 H new ATOM 0 HA ASP A 71 -6.977 8.887 2.952 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -8.101 7.109 4.285 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -6.562 6.328 4.594 1.00 0.00 H new ATOM 1157 N ALA A 72 -4.131 7.279 3.507 1.00 0.00 N ATOM 1158 CA ALA A 72 -2.675 7.415 3.650 1.00 0.00 C ATOM 1159 C ALA A 72 -2.095 8.256 2.501 1.00 0.00 C ATOM 1160 O ALA A 72 -1.323 9.188 2.728 1.00 0.00 O ATOM 1161 CB ALA A 72 -2.027 6.021 3.691 1.00 0.00 C ATOM 0 H ALA A 72 -4.449 6.310 3.491 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.455 7.931 4.584 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.947 6.125 3.797 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.423 5.461 4.538 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.251 5.488 2.767 1.00 0.00 H new ATOM 1167 N ALA A 73 -2.537 7.945 1.268 1.00 0.00 N ATOM 1168 CA ALA A 73 -2.073 8.628 0.059 1.00 0.00 C ATOM 1169 C ALA A 73 -2.487 10.109 0.049 1.00 0.00 C ATOM 1170 O ALA A 73 -1.703 10.939 -0.402 1.00 0.00 O ATOM 1171 CB ALA A 73 -2.573 7.904 -1.197 1.00 0.00 C ATOM 0 H ALA A 73 -3.225 7.213 1.088 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.983 8.599 0.059 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.217 8.427 -2.085 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.195 6.882 -1.203 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.663 7.888 -1.198 1.00 0.00 H new ATOM 1177 N LYS A 74 -3.703 10.433 0.569 1.00 0.00 N ATOM 1178 CA LYS A 74 -4.218 11.824 0.578 1.00 0.00 C ATOM 1179 C LYS A 74 -3.302 12.698 1.421 1.00 0.00 C ATOM 1180 O LYS A 74 -2.661 13.581 0.872 1.00 0.00 O ATOM 1181 CB LYS A 74 -5.699 11.938 1.060 1.00 0.00 C ATOM 1182 CG LYS A 74 -6.720 11.124 0.226 1.00 0.00 C ATOM 1183 CD LYS A 74 -8.179 11.647 0.319 1.00 0.00 C ATOM 1184 CE LYS A 74 -8.388 12.955 -0.470 1.00 0.00 C ATOM 1185 NZ LYS A 74 -9.806 13.408 -0.451 1.00 0.00 N ATOM 0 H LYS A 74 -4.339 9.752 0.984 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.219 12.174 -0.454 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.755 11.609 2.098 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.992 12.988 1.042 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.409 11.133 -0.819 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.696 10.086 0.556 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.860 10.885 -0.060 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.436 11.812 1.365 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.754 13.735 -0.049 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.070 12.808 -1.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.896 14.290 -0.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.410 12.676 -0.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.104 13.574 0.531 1.00 0.00 H new ATOM 1199 N SER A 75 -3.175 12.354 2.718 1.00 0.00 N ATOM 1200 CA SER A 75 -2.350 13.100 3.702 1.00 0.00 C ATOM 1201 C SER A 75 -0.920 13.367 3.176 1.00 0.00 C ATOM 1202 O SER A 75 -0.390 14.468 3.321 1.00 0.00 O ATOM 1203 CB SER A 75 -2.285 12.304 5.027 1.00 0.00 C ATOM 1204 OG SER A 75 -3.583 12.021 5.519 1.00 0.00 O ATOM 0 H SER A 75 -3.645 11.543 3.121 1.00 0.00 H new ATOM 0 HA SER A 75 -2.821 14.068 3.870 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.742 11.372 4.868 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.728 12.875 5.770 1.00 0.00 H new ATOM 0 HG SER A 75 -3.513 11.516 6.356 1.00 0.00 H new ATOM 1210 N MET A 76 -0.340 12.343 2.528 1.00 0.00 N ATOM 1211 CA MET A 76 1.015 12.399 1.949 1.00 0.00 C ATOM 1212 C MET A 76 1.085 13.326 0.710 1.00 0.00 C ATOM 1213 O MET A 76 2.063 14.062 0.549 1.00 0.00 O ATOM 1214 CB MET A 76 1.476 10.960 1.613 1.00 0.00 C ATOM 1215 CG MET A 76 1.915 10.104 2.827 1.00 0.00 C ATOM 1216 SD MET A 76 0.780 10.154 4.237 1.00 0.00 S ATOM 1217 CE MET A 76 1.566 11.326 5.334 1.00 0.00 C ATOM 0 H MET A 76 -0.802 11.444 2.389 1.00 0.00 H new ATOM 0 HA MET A 76 1.693 12.833 2.684 1.00 0.00 H new ATOM 0 HB2 MET A 76 0.662 10.446 1.102 1.00 0.00 H new ATOM 0 HB3 MET A 76 2.307 11.017 0.910 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.026 9.069 2.504 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.897 10.442 3.157 1.00 0.00 H new ATOM 0 HE1 MET A 76 1.297 11.096 6.365 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.648 11.263 5.219 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.233 12.334 5.088 1.00 0.00 H new ATOM 1227 N HIS A 77 0.043 13.289 -0.155 1.00 0.00 N ATOM 1228 CA HIS A 77 -0.097 14.231 -1.298 1.00 0.00 C ATOM 1229 C HIS A 77 -0.195 15.693 -0.809 1.00 0.00 C ATOM 1230 O HIS A 77 0.296 16.610 -1.478 1.00 0.00 O ATOM 1231 CB HIS A 77 -1.332 13.876 -2.187 1.00 0.00 C ATOM 1232 CG HIS A 77 -1.084 12.861 -3.285 1.00 0.00 C ATOM 1233 ND1 HIS A 77 -0.989 13.206 -4.619 1.00 0.00 N ATOM 1234 CD2 HIS A 77 -0.955 11.510 -3.258 1.00 0.00 C ATOM 1235 CE1 HIS A 77 -0.825 12.122 -5.345 1.00 0.00 C ATOM 1236 NE2 HIS A 77 -0.800 11.080 -4.546 1.00 0.00 N ATOM 0 H HIS A 77 -0.718 12.614 -0.084 1.00 0.00 H new ATOM 0 HA HIS A 77 0.801 14.129 -1.908 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -2.124 13.498 -1.541 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -1.703 14.794 -2.643 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -0.972 10.886 -2.376 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -0.727 12.093 -6.420 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -0.684 10.110 -4.838 1.00 0.00 H new ATOM 1245 N GLU A 78 -0.824 15.887 0.365 1.00 0.00 N ATOM 1246 CA GLU A 78 -0.997 17.217 0.975 1.00 0.00 C ATOM 1247 C GLU A 78 0.337 17.733 1.557 1.00 0.00 C ATOM 1248 O GLU A 78 0.529 18.943 1.702 1.00 0.00 O ATOM 1249 CB GLU A 78 -2.095 17.164 2.068 1.00 0.00 C ATOM 1250 CG GLU A 78 -3.384 16.436 1.644 1.00 0.00 C ATOM 1251 CD GLU A 78 -4.024 16.984 0.358 1.00 0.00 C ATOM 1252 OE1 GLU A 78 -4.671 18.053 0.408 1.00 0.00 O ATOM 1253 OE2 GLU A 78 -3.886 16.349 -0.714 1.00 0.00 O ATOM 0 H GLU A 78 -1.225 15.128 0.916 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.313 17.916 0.201 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.688 16.671 2.951 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.348 18.183 2.361 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.161 15.378 1.503 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.109 16.504 2.455 1.00 0.00 H new ATOM 1260 N LEU A 79 1.249 16.790 1.885 1.00 0.00 N ATOM 1261 CA LEU A 79 2.636 17.115 2.317 1.00 0.00 C ATOM 1262 C LEU A 79 3.574 17.367 1.115 1.00 0.00 C ATOM 1263 O LEU A 79 4.770 17.620 1.303 1.00 0.00 O ATOM 1264 CB LEU A 79 3.223 15.980 3.199 1.00 0.00 C ATOM 1265 CG LEU A 79 2.401 15.592 4.459 1.00 0.00 C ATOM 1266 CD1 LEU A 79 3.127 14.524 5.293 1.00 0.00 C ATOM 1267 CD2 LEU A 79 2.045 16.818 5.331 1.00 0.00 C ATOM 0 H LEU A 79 1.051 15.790 1.860 1.00 0.00 H new ATOM 0 HA LEU A 79 2.574 18.033 2.901 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.339 15.091 2.579 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.221 16.278 3.520 1.00 0.00 H new ATOM 0 HG LEU A 79 1.463 15.169 4.100 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.526 14.274 6.167 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.277 13.630 4.688 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.094 14.910 5.616 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.471 16.493 6.199 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.961 17.306 5.664 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.452 17.521 4.746 1.00 0.00 H new ATOM 1279 N GLY A 80 3.034 17.275 -0.114 1.00 0.00 N ATOM 1280 CA GLY A 80 3.794 17.567 -1.338 1.00 0.00 C ATOM 1281 C GLY A 80 4.344 16.328 -2.028 1.00 0.00 C ATOM 1282 O GLY A 80 4.999 16.448 -3.066 1.00 0.00 O ATOM 0 H GLY A 80 2.067 16.998 -0.284 1.00 0.00 H new ATOM 0 HA2 GLY A 80 3.151 18.104 -2.035 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.622 18.232 -1.091 1.00 0.00 H new ATOM 1286 N TYR A 81 4.101 15.136 -1.451 1.00 0.00 N ATOM 1287 CA TYR A 81 4.495 13.852 -2.080 1.00 0.00 C ATOM 1288 C TYR A 81 3.424 13.424 -3.102 1.00 0.00 C ATOM 1289 O TYR A 81 2.389 14.081 -3.230 1.00 0.00 O ATOM 1290 CB TYR A 81 4.687 12.763 -0.997 1.00 0.00 C ATOM 1291 CG TYR A 81 5.653 13.152 0.134 1.00 0.00 C ATOM 1292 CD1 TYR A 81 7.009 13.385 -0.116 1.00 0.00 C ATOM 1293 CD2 TYR A 81 5.211 13.282 1.453 1.00 0.00 C ATOM 1294 CE1 TYR A 81 7.880 13.737 0.898 1.00 0.00 C ATOM 1295 CE2 TYR A 81 6.080 13.635 2.470 1.00 0.00 C ATOM 1296 CZ TYR A 81 7.414 13.856 2.189 1.00 0.00 C ATOM 1297 OH TYR A 81 8.284 14.208 3.198 1.00 0.00 O ATOM 0 H TYR A 81 3.634 15.031 -0.550 1.00 0.00 H new ATOM 0 HA TYR A 81 5.443 13.983 -2.602 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.716 12.525 -0.563 1.00 0.00 H new ATOM 0 HB3 TYR A 81 5.054 11.854 -1.474 1.00 0.00 H new ATOM 0 HD1 TYR A 81 7.384 13.288 -1.124 1.00 0.00 H new ATOM 0 HD2 TYR A 81 4.171 13.104 1.683 1.00 0.00 H new ATOM 0 HE1 TYR A 81 8.922 13.918 0.679 1.00 0.00 H new ATOM 0 HE2 TYR A 81 5.716 13.738 3.482 1.00 0.00 H new ATOM 0 HH TYR A 81 7.799 14.250 4.048 1.00 0.00 H new ATOM 1307 N THR A 82 3.668 12.316 -3.829 1.00 0.00 N ATOM 1308 CA THR A 82 2.707 11.773 -4.817 1.00 0.00 C ATOM 1309 C THR A 82 2.685 10.215 -4.807 1.00 0.00 C ATOM 1310 O THR A 82 2.940 9.590 -5.848 1.00 0.00 O ATOM 1311 CB THR A 82 3.011 12.306 -6.277 1.00 0.00 C ATOM 1312 OG1 THR A 82 4.413 12.162 -6.572 1.00 0.00 O ATOM 1313 CG2 THR A 82 2.585 13.770 -6.481 1.00 0.00 C ATOM 0 H THR A 82 4.529 11.774 -3.751 1.00 0.00 H new ATOM 0 HA THR A 82 1.720 12.127 -4.520 1.00 0.00 H new ATOM 0 HB THR A 82 2.418 11.701 -6.963 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.592 12.492 -7.477 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.819 14.078 -7.500 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.513 13.864 -6.310 1.00 0.00 H new ATOM 0 HG23 THR A 82 3.122 14.406 -5.777 1.00 0.00 H new ATOM 1321 N PRO A 83 2.367 9.541 -3.644 1.00 0.00 N ATOM 1322 CA PRO A 83 2.235 8.063 -3.606 1.00 0.00 C ATOM 1323 C PRO A 83 0.967 7.563 -4.336 1.00 0.00 C ATOM 1324 O PRO A 83 -0.091 8.213 -4.306 1.00 0.00 O ATOM 1325 CB PRO A 83 2.159 7.752 -2.091 1.00 0.00 C ATOM 1326 CG PRO A 83 1.541 8.982 -1.508 1.00 0.00 C ATOM 1327 CD PRO A 83 2.136 10.129 -2.290 1.00 0.00 C ATOM 0 HA PRO A 83 3.060 7.564 -4.114 1.00 0.00 H new ATOM 0 HB2 PRO A 83 1.554 6.867 -1.894 1.00 0.00 H new ATOM 0 HB3 PRO A 83 3.147 7.562 -1.671 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.455 8.961 -1.603 1.00 0.00 H new ATOM 0 HG3 PRO A 83 1.766 9.071 -0.445 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.458 10.981 -2.332 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.064 10.482 -1.842 1.00 0.00 H new ATOM 1335 N TYR A 84 1.107 6.417 -5.012 1.00 0.00 N ATOM 1336 CA TYR A 84 -0.022 5.646 -5.558 1.00 0.00 C ATOM 1337 C TYR A 84 -0.670 4.850 -4.419 1.00 0.00 C ATOM 1338 O TYR A 84 -0.128 4.791 -3.304 1.00 0.00 O ATOM 1339 CB TYR A 84 0.471 4.682 -6.672 1.00 0.00 C ATOM 1340 CG TYR A 84 1.071 5.390 -7.897 1.00 0.00 C ATOM 1341 CD1 TYR A 84 2.371 5.911 -7.873 1.00 0.00 C ATOM 1342 CD2 TYR A 84 0.331 5.564 -9.070 1.00 0.00 C ATOM 1343 CE1 TYR A 84 2.905 6.556 -8.969 1.00 0.00 C ATOM 1344 CE2 TYR A 84 0.866 6.210 -10.165 1.00 0.00 C ATOM 1345 CZ TYR A 84 2.149 6.707 -10.108 1.00 0.00 C ATOM 1346 OH TYR A 84 2.678 7.358 -11.199 1.00 0.00 O ATOM 0 H TYR A 84 2.015 5.992 -5.199 1.00 0.00 H new ATOM 0 HA TYR A 84 -0.753 6.326 -5.996 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.220 4.011 -6.251 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.365 4.063 -6.997 1.00 0.00 H new ATOM 0 HD1 TYR A 84 2.967 5.806 -6.979 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -0.679 5.185 -9.120 1.00 0.00 H new ATOM 0 HE1 TYR A 84 3.913 6.941 -8.933 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.280 6.326 -11.065 1.00 0.00 H new ATOM 0 HH TYR A 84 2.015 7.378 -11.921 1.00 0.00 H new ATOM 1356 N TYR A 85 -1.824 4.232 -4.694 1.00 0.00 N ATOM 1357 CA TYR A 85 -2.526 3.417 -3.698 1.00 0.00 C ATOM 1358 C TYR A 85 -3.358 2.326 -4.380 1.00 0.00 C ATOM 1359 O TYR A 85 -3.955 2.555 -5.442 1.00 0.00 O ATOM 1360 CB TYR A 85 -3.385 4.301 -2.765 1.00 0.00 C ATOM 1361 CG TYR A 85 -4.476 5.141 -3.446 1.00 0.00 C ATOM 1362 CD1 TYR A 85 -4.182 6.391 -3.992 1.00 0.00 C ATOM 1363 CD2 TYR A 85 -5.801 4.697 -3.511 1.00 0.00 C ATOM 1364 CE1 TYR A 85 -5.158 7.155 -4.580 1.00 0.00 C ATOM 1365 CE2 TYR A 85 -6.777 5.464 -4.104 1.00 0.00 C ATOM 1366 CZ TYR A 85 -6.450 6.692 -4.631 1.00 0.00 C ATOM 1367 OH TYR A 85 -7.417 7.462 -5.225 1.00 0.00 O ATOM 0 H TYR A 85 -2.291 4.281 -5.599 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.784 2.919 -3.074 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -3.860 3.658 -2.024 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.721 4.975 -2.224 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -3.169 6.763 -3.951 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -6.062 3.738 -3.089 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -4.911 8.118 -5.002 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -7.794 5.104 -4.156 1.00 0.00 H new ATOM 0 HH TYR A 85 -8.303 7.123 -4.978 1.00 0.00 H new ATOM 1377 N LEU A 86 -3.357 1.127 -3.767 1.00 0.00 N ATOM 1378 CA LEU A 86 -4.030 -0.060 -4.304 1.00 0.00 C ATOM 1379 C LEU A 86 -5.298 -0.343 -3.497 1.00 0.00 C ATOM 1380 O LEU A 86 -5.245 -0.596 -2.267 1.00 0.00 O ATOM 1381 CB LEU A 86 -3.056 -1.282 -4.300 1.00 0.00 C ATOM 1382 CG LEU A 86 -3.529 -2.621 -4.997 1.00 0.00 C ATOM 1383 CD1 LEU A 86 -4.443 -3.490 -4.103 1.00 0.00 C ATOM 1384 CD2 LEU A 86 -4.195 -2.342 -6.359 1.00 0.00 C ATOM 0 H LEU A 86 -2.884 0.959 -2.879 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.322 0.122 -5.338 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.128 -0.969 -4.778 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.818 -1.514 -3.262 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.623 -3.203 -5.166 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.730 -4.392 -4.644 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.907 -3.766 -3.195 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.337 -2.925 -3.839 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.508 -3.283 -6.811 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.065 -1.702 -6.214 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.483 -1.843 -7.017 1.00 0.00 H new ATOM 1396 N GLU A 87 -6.422 -0.300 -4.222 1.00 0.00 N ATOM 1397 CA GLU A 87 -7.734 -0.687 -3.724 1.00 0.00 C ATOM 1398 C GLU A 87 -8.036 -2.124 -4.208 1.00 0.00 C ATOM 1399 O GLU A 87 -8.241 -2.357 -5.407 1.00 0.00 O ATOM 1400 CB GLU A 87 -8.797 0.329 -4.224 1.00 0.00 C ATOM 1401 CG GLU A 87 -8.522 1.787 -3.784 1.00 0.00 C ATOM 1402 CD GLU A 87 -9.638 2.767 -4.184 1.00 0.00 C ATOM 1403 OE1 GLU A 87 -10.684 2.792 -3.506 1.00 0.00 O ATOM 1404 OE2 GLU A 87 -9.478 3.510 -5.176 1.00 0.00 O ATOM 0 H GLU A 87 -6.438 0.013 -5.193 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.758 -0.676 -2.634 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.840 0.290 -5.312 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.777 0.027 -3.855 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.396 1.814 -2.702 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.582 2.120 -4.223 1.00 0.00 H new ATOM 1411 N GLY A 88 -7.988 -3.081 -3.269 1.00 0.00 N ATOM 1412 CA GLY A 88 -8.255 -4.492 -3.551 1.00 0.00 C ATOM 1413 C GLY A 88 -8.130 -5.342 -2.292 1.00 0.00 C ATOM 1414 O GLY A 88 -7.401 -4.967 -1.359 1.00 0.00 O ATOM 0 H GLY A 88 -7.762 -2.894 -2.292 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.257 -4.599 -3.966 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.557 -4.852 -4.306 1.00 0.00 H new ATOM 1418 N ASN A 89 -8.834 -6.495 -2.274 1.00 0.00 N ATOM 1419 CA ASN A 89 -8.860 -7.419 -1.116 1.00 0.00 C ATOM 1420 C ASN A 89 -7.491 -8.086 -0.929 1.00 0.00 C ATOM 1421 O ASN A 89 -6.993 -8.732 -1.857 1.00 0.00 O ATOM 1422 CB ASN A 89 -9.937 -8.519 -1.290 1.00 0.00 C ATOM 1423 CG ASN A 89 -11.371 -8.002 -1.349 1.00 0.00 C ATOM 1424 OD1 ASN A 89 -11.646 -6.906 -1.832 1.00 0.00 O ATOM 1425 ND2 ASN A 89 -12.300 -8.795 -0.852 1.00 0.00 N ATOM 0 H ASN A 89 -9.400 -6.812 -3.061 1.00 0.00 H new ATOM 0 HA ASN A 89 -9.105 -6.825 -0.236 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -9.727 -9.073 -2.205 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -9.853 -9.225 -0.464 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -13.278 -8.504 -0.862 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -12.041 -9.699 -0.458 1.00 0.00 H new ATOM 1432 N VAL A 90 -6.917 -7.962 0.286 1.00 0.00 N ATOM 1433 CA VAL A 90 -5.559 -8.467 0.593 1.00 0.00 C ATOM 1434 C VAL A 90 -5.495 -10.008 0.475 1.00 0.00 C ATOM 1435 O VAL A 90 -4.476 -10.564 0.079 1.00 0.00 O ATOM 1436 CB VAL A 90 -5.038 -7.966 2.006 1.00 0.00 C ATOM 1437 CG1 VAL A 90 -5.819 -8.595 3.173 1.00 0.00 C ATOM 1438 CG2 VAL A 90 -3.511 -8.189 2.171 1.00 0.00 C ATOM 0 H VAL A 90 -7.377 -7.513 1.078 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.885 -8.049 -0.154 1.00 0.00 H new ATOM 0 HB VAL A 90 -5.221 -6.892 2.038 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.425 -8.221 4.118 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.873 -8.331 3.089 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.713 -9.679 3.139 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.195 -7.833 3.151 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.287 -9.252 2.082 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.977 -7.639 1.396 1.00 0.00 H new ATOM 1448 N TYR A 91 -6.630 -10.666 0.752 1.00 0.00 N ATOM 1449 CA TYR A 91 -6.757 -12.138 0.696 1.00 0.00 C ATOM 1450 C TYR A 91 -6.824 -12.651 -0.756 1.00 0.00 C ATOM 1451 O TYR A 91 -6.544 -13.830 -1.025 1.00 0.00 O ATOM 1452 CB TYR A 91 -8.014 -12.569 1.494 1.00 0.00 C ATOM 1453 CG TYR A 91 -7.955 -12.155 2.974 1.00 0.00 C ATOM 1454 CD1 TYR A 91 -7.264 -12.925 3.904 1.00 0.00 C ATOM 1455 CD2 TYR A 91 -8.551 -10.974 3.428 1.00 0.00 C ATOM 1456 CE1 TYR A 91 -7.182 -12.548 5.226 1.00 0.00 C ATOM 1457 CE2 TYR A 91 -8.466 -10.589 4.752 1.00 0.00 C ATOM 1458 CZ TYR A 91 -7.780 -11.381 5.645 1.00 0.00 C ATOM 1459 OH TYR A 91 -7.689 -11.005 6.961 1.00 0.00 O ATOM 0 H TYR A 91 -7.493 -10.194 1.023 1.00 0.00 H new ATOM 0 HA TYR A 91 -5.869 -12.582 1.146 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -8.899 -12.129 1.034 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -8.126 -13.651 1.429 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -6.782 -13.837 3.583 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -9.089 -10.350 2.729 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -6.649 -13.167 5.933 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -8.934 -9.674 5.084 1.00 0.00 H new ATOM 0 HH TYR A 91 -6.860 -10.502 7.101 1.00 0.00 H new ATOM 1469 N ASP A 92 -7.179 -11.748 -1.686 1.00 0.00 N ATOM 1470 CA ASP A 92 -7.381 -12.088 -3.109 1.00 0.00 C ATOM 1471 C ASP A 92 -6.148 -11.797 -3.976 1.00 0.00 C ATOM 1472 O ASP A 92 -6.145 -12.169 -5.144 1.00 0.00 O ATOM 1473 CB ASP A 92 -8.623 -11.355 -3.679 1.00 0.00 C ATOM 1474 CG ASP A 92 -9.952 -11.959 -3.191 1.00 0.00 C ATOM 1475 OD1 ASP A 92 -10.334 -11.719 -2.029 1.00 0.00 O ATOM 1476 OD2 ASP A 92 -10.614 -12.692 -3.969 1.00 0.00 O ATOM 0 H ASP A 92 -7.334 -10.762 -1.475 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.549 -13.164 -3.147 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -8.581 -10.304 -3.393 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.592 -11.391 -4.768 1.00 0.00 H new ATOM 1481 N PHE A 93 -5.109 -11.156 -3.410 1.00 0.00 N ATOM 1482 CA PHE A 93 -3.861 -10.845 -4.156 1.00 0.00 C ATOM 1483 C PHE A 93 -3.253 -12.115 -4.781 1.00 0.00 C ATOM 1484 O PHE A 93 -3.018 -12.173 -5.997 1.00 0.00 O ATOM 1485 CB PHE A 93 -2.802 -10.156 -3.245 1.00 0.00 C ATOM 1486 CG PHE A 93 -3.175 -8.777 -2.687 1.00 0.00 C ATOM 1487 CD1 PHE A 93 -4.270 -8.063 -3.156 1.00 0.00 C ATOM 1488 CD2 PHE A 93 -2.393 -8.179 -1.713 1.00 0.00 C ATOM 1489 CE1 PHE A 93 -4.581 -6.812 -2.670 1.00 0.00 C ATOM 1490 CE2 PHE A 93 -2.697 -6.927 -1.229 1.00 0.00 C ATOM 1491 CZ PHE A 93 -3.786 -6.238 -1.707 1.00 0.00 C ATOM 0 H PHE A 93 -5.102 -10.841 -2.440 1.00 0.00 H new ATOM 0 HA PHE A 93 -4.136 -10.153 -4.952 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -2.591 -10.818 -2.405 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.877 -10.056 -3.812 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -4.894 -8.500 -3.922 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.531 -8.703 -1.327 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -5.446 -6.285 -3.044 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -2.074 -6.482 -0.467 1.00 0.00 H new ATOM 0 HZ PHE A 93 -4.015 -5.253 -1.329 1.00 0.00 H new ATOM 1501 N GLU A 94 -3.079 -13.150 -3.944 1.00 0.00 N ATOM 1502 CA GLU A 94 -2.345 -14.364 -4.326 1.00 0.00 C ATOM 1503 C GLU A 94 -3.112 -15.193 -5.380 1.00 0.00 C ATOM 1504 O GLU A 94 -2.501 -15.761 -6.291 1.00 0.00 O ATOM 1505 CB GLU A 94 -1.993 -15.210 -3.066 1.00 0.00 C ATOM 1506 CG GLU A 94 -0.680 -16.007 -3.221 1.00 0.00 C ATOM 1507 CD GLU A 94 -0.319 -16.884 -2.019 1.00 0.00 C ATOM 1508 OE1 GLU A 94 -1.045 -17.869 -1.747 1.00 0.00 O ATOM 1509 OE2 GLU A 94 0.703 -16.608 -1.357 1.00 0.00 O ATOM 0 H GLU A 94 -3.441 -13.168 -2.990 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.410 -14.057 -4.795 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.911 -14.549 -2.203 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.809 -15.902 -2.860 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -0.757 -16.640 -4.105 1.00 0.00 H new ATOM 0 HG3 GLU A 94 0.136 -15.306 -3.400 1.00 0.00 H new ATOM 1516 N LYS A 95 -4.455 -15.220 -5.264 1.00 0.00 N ATOM 1517 CA LYS A 95 -5.331 -15.939 -6.223 1.00 0.00 C ATOM 1518 C LYS A 95 -5.577 -15.118 -7.516 1.00 0.00 C ATOM 1519 O LYS A 95 -6.050 -15.669 -8.516 1.00 0.00 O ATOM 1520 CB LYS A 95 -6.667 -16.354 -5.539 1.00 0.00 C ATOM 1521 CG LYS A 95 -7.438 -15.196 -4.883 1.00 0.00 C ATOM 1522 CD LYS A 95 -8.706 -15.647 -4.115 1.00 0.00 C ATOM 1523 CE LYS A 95 -9.836 -16.115 -5.042 1.00 0.00 C ATOM 1524 NZ LYS A 95 -10.350 -15.005 -5.884 1.00 0.00 N ATOM 0 H LYS A 95 -4.962 -14.751 -4.514 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.812 -16.848 -6.529 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -7.309 -16.825 -6.283 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -6.453 -17.106 -4.780 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -6.774 -14.673 -4.195 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -7.726 -14.481 -5.653 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -8.443 -16.457 -3.435 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -9.066 -14.821 -3.502 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -9.472 -16.919 -5.682 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -10.650 -16.526 -4.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -11.261 -15.281 -6.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -10.482 -14.157 -5.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -9.668 -14.799 -6.642 1.00 0.00 H new ATOM 1538 N TYR A 96 -5.259 -13.802 -7.484 1.00 0.00 N ATOM 1539 CA TYR A 96 -5.208 -12.951 -8.705 1.00 0.00 C ATOM 1540 C TYR A 96 -3.861 -13.148 -9.437 1.00 0.00 C ATOM 1541 O TYR A 96 -3.736 -12.810 -10.617 1.00 0.00 O ATOM 1542 CB TYR A 96 -5.451 -11.445 -8.373 1.00 0.00 C ATOM 1543 CG TYR A 96 -6.934 -11.006 -8.358 1.00 0.00 C ATOM 1544 CD1 TYR A 96 -7.870 -11.634 -7.534 1.00 0.00 C ATOM 1545 CD2 TYR A 96 -7.391 -9.952 -9.164 1.00 0.00 C ATOM 1546 CE1 TYR A 96 -9.191 -11.232 -7.503 1.00 0.00 C ATOM 1547 CE2 TYR A 96 -8.716 -9.550 -9.137 1.00 0.00 C ATOM 1548 CZ TYR A 96 -9.610 -10.193 -8.305 1.00 0.00 C ATOM 1549 OH TYR A 96 -10.929 -9.794 -8.273 1.00 0.00 O ATOM 0 H TYR A 96 -5.033 -13.302 -6.624 1.00 0.00 H new ATOM 0 HA TYR A 96 -6.015 -13.266 -9.367 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.015 -11.229 -7.398 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -4.916 -10.837 -9.103 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -7.554 -12.454 -6.906 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -6.697 -9.445 -9.817 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -9.894 -11.731 -6.852 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -9.048 -8.736 -9.765 1.00 0.00 H new ATOM 0 HH TYR A 96 -11.061 -9.049 -8.896 1.00 0.00 H new ATOM 1559 N GLY A 97 -2.858 -13.682 -8.712 1.00 0.00 N ATOM 1560 CA GLY A 97 -1.560 -14.062 -9.299 1.00 0.00 C ATOM 1561 C GLY A 97 -0.418 -13.186 -8.810 1.00 0.00 C ATOM 1562 O GLY A 97 0.557 -12.951 -9.536 1.00 0.00 O ATOM 0 H GLY A 97 -2.925 -13.861 -7.710 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -1.345 -15.102 -9.054 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -1.624 -13.997 -10.385 1.00 0.00 H new ATOM 1566 N PHE A 98 -0.554 -12.705 -7.569 1.00 0.00 N ATOM 1567 CA PHE A 98 0.443 -11.859 -6.896 1.00 0.00 C ATOM 1568 C PHE A 98 0.878 -12.566 -5.619 1.00 0.00 C ATOM 1569 O PHE A 98 0.126 -12.558 -4.642 1.00 0.00 O ATOM 1570 CB PHE A 98 -0.158 -10.474 -6.551 1.00 0.00 C ATOM 1571 CG PHE A 98 -0.764 -9.741 -7.741 1.00 0.00 C ATOM 1572 CD1 PHE A 98 0.042 -9.039 -8.628 1.00 0.00 C ATOM 1573 CD2 PHE A 98 -2.139 -9.757 -7.969 1.00 0.00 C ATOM 1574 CE1 PHE A 98 -0.506 -8.374 -9.695 1.00 0.00 C ATOM 1575 CE2 PHE A 98 -2.686 -9.091 -9.041 1.00 0.00 C ATOM 1576 CZ PHE A 98 -1.871 -8.400 -9.907 1.00 0.00 C ATOM 0 H PHE A 98 -1.374 -12.895 -6.993 1.00 0.00 H new ATOM 0 HA PHE A 98 1.296 -11.700 -7.556 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.927 -10.604 -5.789 1.00 0.00 H new ATOM 0 HB3 PHE A 98 0.622 -9.851 -6.114 1.00 0.00 H new ATOM 0 HD1 PHE A 98 1.111 -9.017 -8.476 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -2.784 -10.300 -7.294 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.133 -7.827 -10.373 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.754 -9.111 -9.202 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.297 -7.879 -10.751 1.00 0.00 H new ATOM 1586 N ARG A 99 2.073 -13.184 -5.639 1.00 0.00 N ATOM 1587 CA ARG A 99 2.598 -13.976 -4.506 1.00 0.00 C ATOM 1588 C ARG A 99 2.559 -13.189 -3.187 1.00 0.00 C ATOM 1589 O ARG A 99 2.672 -11.953 -3.172 1.00 0.00 O ATOM 1590 CB ARG A 99 4.044 -14.435 -4.770 1.00 0.00 C ATOM 1591 CG ARG A 99 5.056 -13.279 -4.930 1.00 0.00 C ATOM 1592 CD ARG A 99 6.501 -13.757 -4.824 1.00 0.00 C ATOM 1593 NE ARG A 99 7.453 -12.735 -5.290 1.00 0.00 N ATOM 1594 CZ ARG A 99 8.763 -12.929 -5.495 1.00 0.00 C ATOM 1595 NH1 ARG A 99 9.331 -14.105 -5.235 1.00 0.00 N ATOM 1596 NH2 ARG A 99 9.508 -11.936 -5.957 1.00 0.00 N ATOM 0 H ARG A 99 2.704 -13.150 -6.440 1.00 0.00 H new ATOM 0 HA ARG A 99 1.949 -14.847 -4.414 1.00 0.00 H new ATOM 0 HB2 ARG A 99 4.366 -15.074 -3.948 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.061 -15.045 -5.673 1.00 0.00 H new ATOM 0 HG2 ARG A 99 4.905 -12.797 -5.896 1.00 0.00 H new ATOM 0 HG3 ARG A 99 4.868 -12.525 -4.165 1.00 0.00 H new ATOM 0 HD2 ARG A 99 6.723 -14.015 -3.788 1.00 0.00 H new ATOM 0 HD3 ARG A 99 6.627 -14.666 -5.413 1.00 0.00 H new ATOM 0 HE ARG A 99 7.085 -11.801 -5.472 1.00 0.00 H new ATOM 0 HH11 ARG A 99 8.768 -14.875 -4.874 1.00 0.00 H new ATOM 0 HH12 ARG A 99 10.330 -14.236 -5.397 1.00 0.00 H new ATOM 0 HH21 ARG A 99 9.084 -11.030 -6.155 1.00 0.00 H new ATOM 0 HH22 ARG A 99 10.506 -12.078 -6.115 1.00 0.00 H new ATOM 1610 N MET A 100 2.406 -13.924 -2.089 1.00 0.00 N ATOM 1611 CA MET A 100 2.230 -13.338 -0.750 1.00 0.00 C ATOM 1612 C MET A 100 2.940 -14.194 0.299 1.00 0.00 C ATOM 1613 O MET A 100 3.105 -15.408 0.130 1.00 0.00 O ATOM 1614 CB MET A 100 0.727 -13.202 -0.362 1.00 0.00 C ATOM 1615 CG MET A 100 -0.134 -12.363 -1.314 1.00 0.00 C ATOM 1616 SD MET A 100 -1.797 -12.089 -0.674 1.00 0.00 S ATOM 1617 CE MET A 100 -1.442 -11.008 0.700 1.00 0.00 C ATOM 0 H MET A 100 2.400 -14.944 -2.095 1.00 0.00 H new ATOM 0 HA MET A 100 2.666 -12.340 -0.779 1.00 0.00 H new ATOM 0 HB2 MET A 100 0.296 -14.201 -0.297 1.00 0.00 H new ATOM 0 HB3 MET A 100 0.666 -12.764 0.634 1.00 0.00 H new ATOM 0 HG2 MET A 100 0.350 -11.401 -1.485 1.00 0.00 H new ATOM 0 HG3 MET A 100 -0.197 -12.864 -2.280 1.00 0.00 H new ATOM 0 HE1 MET A 100 -2.193 -10.219 0.746 1.00 0.00 H new ATOM 0 HE2 MET A 100 -1.460 -11.580 1.627 1.00 0.00 H new ATOM 0 HE3 MET A 100 -0.456 -10.563 0.567 1.00 0.00 H new ATOM 1627 N VAL A 101 3.372 -13.530 1.374 1.00 0.00 N ATOM 1628 CA VAL A 101 3.982 -14.170 2.539 1.00 0.00 C ATOM 1629 C VAL A 101 2.960 -14.187 3.697 1.00 0.00 C ATOM 1630 O VAL A 101 2.703 -13.150 4.339 1.00 0.00 O ATOM 1631 CB VAL A 101 5.305 -13.434 2.985 1.00 0.00 C ATOM 1632 CG1 VAL A 101 6.074 -14.261 4.039 1.00 0.00 C ATOM 1633 CG2 VAL A 101 6.208 -13.089 1.772 1.00 0.00 C ATOM 0 H VAL A 101 3.306 -12.516 1.459 1.00 0.00 H new ATOM 0 HA VAL A 101 4.257 -15.190 2.270 1.00 0.00 H new ATOM 0 HB VAL A 101 5.013 -12.491 3.447 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.981 -13.730 4.328 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.444 -14.408 4.917 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.340 -15.230 3.618 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.108 -12.583 2.121 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.485 -14.006 1.252 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.666 -12.435 1.089 1.00 0.00 H new ATOM 1643 N TYR A 102 2.329 -15.355 3.883 1.00 0.00 N ATOM 1644 CA TYR A 102 1.438 -15.650 5.019 1.00 0.00 C ATOM 1645 C TYR A 102 2.272 -16.063 6.246 1.00 0.00 C ATOM 1646 O TYR A 102 3.428 -16.485 6.096 1.00 0.00 O ATOM 1647 CB TYR A 102 0.457 -16.807 4.653 1.00 0.00 C ATOM 1648 CG TYR A 102 -0.589 -16.471 3.569 1.00 0.00 C ATOM 1649 CD1 TYR A 102 -0.211 -16.123 2.268 1.00 0.00 C ATOM 1650 CD2 TYR A 102 -1.964 -16.515 3.848 1.00 0.00 C ATOM 1651 CE1 TYR A 102 -1.149 -15.823 1.307 1.00 0.00 C ATOM 1652 CE2 TYR A 102 -2.902 -16.214 2.879 1.00 0.00 C ATOM 1653 CZ TYR A 102 -2.488 -15.873 1.609 1.00 0.00 C ATOM 1654 OH TYR A 102 -3.419 -15.574 0.635 1.00 0.00 O ATOM 0 H TYR A 102 2.424 -16.138 3.236 1.00 0.00 H new ATOM 0 HA TYR A 102 0.864 -14.753 5.250 1.00 0.00 H new ATOM 0 HB2 TYR A 102 1.042 -17.663 4.317 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -0.068 -17.115 5.557 1.00 0.00 H new ATOM 0 HD1 TYR A 102 0.838 -16.089 2.013 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -2.295 -16.789 4.839 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -0.831 -15.547 0.312 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -3.955 -16.246 3.116 1.00 0.00 H new ATOM 0 HH TYR A 102 -4.321 -15.657 1.008 1.00 0.00 H new ATOM 1664 N ASP A 103 1.673 -15.917 7.451 1.00 0.00 N ATOM 1665 CA ASP A 103 2.221 -16.466 8.727 1.00 0.00 C ATOM 1666 C ASP A 103 3.630 -15.877 9.050 1.00 0.00 C ATOM 1667 O ASP A 103 4.442 -16.483 9.764 1.00 0.00 O ATOM 1668 CB ASP A 103 2.214 -18.032 8.645 1.00 0.00 C ATOM 1669 CG ASP A 103 2.478 -18.756 9.983 1.00 0.00 C ATOM 1670 OD1 ASP A 103 1.610 -18.702 10.884 1.00 0.00 O ATOM 1671 OD2 ASP A 103 3.541 -19.389 10.143 1.00 0.00 O ATOM 0 H ASP A 103 0.794 -15.415 7.573 1.00 0.00 H new ATOM 0 HA ASP A 103 1.588 -16.164 9.561 1.00 0.00 H new ATOM 0 HB2 ASP A 103 1.248 -18.356 8.258 1.00 0.00 H new ATOM 0 HB3 ASP A 103 2.968 -18.347 7.924 1.00 0.00 H new ATOM 1676 N ASP A 104 3.890 -14.652 8.545 1.00 0.00 N ATOM 1677 CA ASP A 104 5.190 -13.958 8.711 1.00 0.00 C ATOM 1678 C ASP A 104 5.177 -13.124 10.010 1.00 0.00 C ATOM 1679 O ASP A 104 5.282 -11.889 10.009 1.00 0.00 O ATOM 1680 CB ASP A 104 5.493 -13.088 7.465 1.00 0.00 C ATOM 1681 CG ASP A 104 6.936 -12.529 7.427 1.00 0.00 C ATOM 1682 OD1 ASP A 104 7.894 -13.329 7.459 1.00 0.00 O ATOM 1683 OD2 ASP A 104 7.122 -11.292 7.366 1.00 0.00 O ATOM 0 H ASP A 104 3.207 -14.115 8.011 1.00 0.00 H new ATOM 0 HA ASP A 104 5.990 -14.693 8.798 1.00 0.00 H new ATOM 0 HB2 ASP A 104 5.320 -13.683 6.568 1.00 0.00 H new ATOM 0 HB3 ASP A 104 4.790 -12.255 7.436 1.00 0.00 H new ATOM 1688 N THR A 105 4.997 -13.841 11.119 1.00 0.00 N ATOM 1689 CA THR A 105 4.989 -13.285 12.480 1.00 0.00 C ATOM 1690 C THR A 105 6.382 -13.382 13.114 1.00 0.00 C ATOM 1691 O THR A 105 6.787 -12.533 13.914 1.00 0.00 O ATOM 1692 CB THR A 105 3.914 -14.007 13.371 1.00 0.00 C ATOM 1693 OG1 THR A 105 4.031 -13.596 14.743 1.00 0.00 O ATOM 1694 CG2 THR A 105 3.991 -15.544 13.274 1.00 0.00 C ATOM 0 H THR A 105 4.849 -14.850 11.100 1.00 0.00 H new ATOM 0 HA THR A 105 4.720 -12.231 12.416 1.00 0.00 H new ATOM 0 HB THR A 105 2.941 -13.707 12.983 1.00 0.00 H new ATOM 0 HG1 THR A 105 4.038 -12.617 14.792 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.225 -15.988 13.910 1.00 0.00 H new ATOM 0 HG22 THR A 105 3.828 -15.852 12.241 1.00 0.00 H new ATOM 0 HG23 THR A 105 4.975 -15.880 13.602 1.00 0.00 H new ATOM 1702 N CYS A 106 7.104 -14.427 12.718 1.00 0.00 N ATOM 1703 CA CYS A 106 8.465 -14.725 13.172 1.00 0.00 C ATOM 1704 C CYS A 106 9.200 -15.448 12.044 1.00 0.00 C ATOM 1705 O CYS A 106 8.553 -15.950 11.109 1.00 0.00 O ATOM 1706 CB CYS A 106 8.424 -15.611 14.441 1.00 0.00 C ATOM 1707 SG CYS A 106 10.037 -16.209 15.010 1.00 0.00 S ATOM 0 H CYS A 106 6.749 -15.113 12.051 1.00 0.00 H new ATOM 0 HA CYS A 106 8.986 -13.801 13.423 1.00 0.00 H new ATOM 0 HB2 CYS A 106 7.959 -15.044 15.247 1.00 0.00 H new ATOM 0 HB3 CYS A 106 7.783 -16.471 14.245 1.00 0.00 H new ATOM 0 HG CYS A 106 9.879 -16.935 16.076 1.00 0.00 H new ATOM 1713 N ASP A 107 10.546 -15.494 12.113 1.00 0.00 N ATOM 1714 CA ASP A 107 11.354 -16.281 11.168 1.00 0.00 C ATOM 1715 C ASP A 107 11.202 -17.776 11.516 1.00 0.00 C ATOM 1716 O ASP A 107 11.957 -18.330 12.326 1.00 0.00 O ATOM 1717 CB ASP A 107 12.838 -15.835 11.182 1.00 0.00 C ATOM 1718 CG ASP A 107 13.672 -16.514 10.081 1.00 0.00 C ATOM 1719 OD1 ASP A 107 13.548 -16.110 8.903 1.00 0.00 O ATOM 1720 OD2 ASP A 107 14.445 -17.453 10.374 1.00 0.00 O ATOM 0 H ASP A 107 11.093 -14.995 12.814 1.00 0.00 H new ATOM 0 HA ASP A 107 10.995 -16.111 10.153 1.00 0.00 H new ATOM 0 HB2 ASP A 107 12.889 -14.753 11.056 1.00 0.00 H new ATOM 0 HB3 ASP A 107 13.273 -16.064 12.155 1.00 0.00 H new ATOM 1725 N LYS A 108 10.136 -18.377 10.968 1.00 0.00 N ATOM 1726 CA LYS A 108 9.746 -19.769 11.240 1.00 0.00 C ATOM 1727 C LYS A 108 10.255 -20.673 10.110 1.00 0.00 C ATOM 1728 O LYS A 108 10.855 -21.726 10.358 1.00 0.00 O ATOM 1729 CB LYS A 108 8.196 -19.854 11.367 1.00 0.00 C ATOM 1730 CG LYS A 108 7.594 -18.919 12.452 1.00 0.00 C ATOM 1731 CD LYS A 108 6.044 -18.941 12.496 1.00 0.00 C ATOM 1732 CE LYS A 108 5.478 -20.333 12.810 1.00 0.00 C ATOM 1733 NZ LYS A 108 3.990 -20.340 12.853 1.00 0.00 N ATOM 0 H LYS A 108 9.512 -17.904 10.315 1.00 0.00 H new ATOM 0 HA LYS A 108 10.190 -20.106 12.177 1.00 0.00 H new ATOM 0 HB2 LYS A 108 7.750 -19.608 10.403 1.00 0.00 H new ATOM 0 HB3 LYS A 108 7.917 -20.883 11.595 1.00 0.00 H new ATOM 0 HG2 LYS A 108 7.982 -19.211 13.428 1.00 0.00 H new ATOM 0 HG3 LYS A 108 7.930 -17.899 12.268 1.00 0.00 H new ATOM 0 HD2 LYS A 108 5.696 -18.234 13.249 1.00 0.00 H new ATOM 0 HD3 LYS A 108 5.653 -18.603 11.537 1.00 0.00 H new ATOM 0 HE2 LYS A 108 5.821 -21.041 12.056 1.00 0.00 H new ATOM 0 HE3 LYS A 108 5.869 -20.674 13.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 3.653 -21.300 13.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 3.661 -19.684 13.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 3.615 -20.040 11.931 1.00 0.00 H new ATOM 1747 N LYS A 109 9.992 -20.241 8.863 1.00 0.00 N ATOM 1748 CA LYS A 109 10.466 -20.929 7.648 1.00 0.00 C ATOM 1749 C LYS A 109 11.989 -20.706 7.456 1.00 0.00 C ATOM 1750 O LYS A 109 12.431 -19.694 6.893 1.00 0.00 O ATOM 1751 CB LYS A 109 9.639 -20.472 6.403 1.00 0.00 C ATOM 1752 CG LYS A 109 9.510 -18.944 6.211 1.00 0.00 C ATOM 1753 CD LYS A 109 8.746 -18.571 4.921 1.00 0.00 C ATOM 1754 CE LYS A 109 8.457 -17.067 4.818 1.00 0.00 C ATOM 1755 NZ LYS A 109 9.691 -16.237 4.804 1.00 0.00 N ATOM 0 H LYS A 109 9.444 -19.403 8.669 1.00 0.00 H new ATOM 0 HA LYS A 109 10.310 -22.002 7.762 1.00 0.00 H new ATOM 0 HB2 LYS A 109 10.098 -20.895 5.509 1.00 0.00 H new ATOM 0 HB3 LYS A 109 8.638 -20.896 6.479 1.00 0.00 H new ATOM 0 HG2 LYS A 109 8.995 -18.515 7.071 1.00 0.00 H new ATOM 0 HG3 LYS A 109 10.505 -18.500 6.181 1.00 0.00 H new ATOM 0 HD2 LYS A 109 9.328 -18.885 4.055 1.00 0.00 H new ATOM 0 HD3 LYS A 109 7.805 -19.121 4.889 1.00 0.00 H new ATOM 0 HE2 LYS A 109 7.886 -16.874 3.910 1.00 0.00 H new ATOM 0 HE3 LYS A 109 7.832 -16.764 5.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 9.433 -15.233 4.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 10.218 -16.383 5.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 10.286 -16.513 3.997 1.00 0.00 H new ATOM 1769 N ASN A 110 12.792 -21.642 7.989 1.00 0.00 N ATOM 1770 CA ASN A 110 14.263 -21.592 7.889 1.00 0.00 C ATOM 1771 C ASN A 110 14.723 -22.290 6.581 1.00 0.00 C ATOM 1772 O ASN A 110 14.693 -23.543 6.517 1.00 0.00 O ATOM 1773 CB ASN A 110 14.917 -22.235 9.147 1.00 0.00 C ATOM 1774 CG ASN A 110 16.456 -22.178 9.162 1.00 0.00 C ATOM 1775 OD1 ASN A 110 17.111 -23.088 9.676 1.00 0.00 O ATOM 1776 ND2 ASN A 110 17.048 -21.107 8.629 1.00 0.00 N ATOM 1777 OXT ASN A 110 15.096 -21.581 5.621 1.00 0.00 O ATOM 0 H ASN A 110 12.443 -22.453 8.500 1.00 0.00 H new ATOM 0 HA ASN A 110 14.588 -20.552 7.850 1.00 0.00 H new ATOM 0 HB2 ASN A 110 14.538 -21.731 10.036 1.00 0.00 H new ATOM 0 HB3 ASN A 110 14.603 -23.277 9.213 1.00 0.00 H new ATOM 0 HD21 ASN A 110 18.065 -21.028 8.641 1.00 0.00 H new ATOM 0 HD22 ASN A 110 16.484 -20.368 8.210 1.00 0.00 H new TER 1784 ASN A 110