USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=24 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 Single : A 1 MET CE :methyl -157:sc= -0.161 (180deg=-0.727) 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= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= -0.518 K(o=-0.52,f=-5.3!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.556 X(o=-0.56,f=-0.41) USER MOD Single : A 35 ASN : amide:sc= 0.209 K(o=0.21,f=-4.9!) USER MOD Single : A 37 THR OG1 : rot -179:sc= 0.229 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.518 X(o=-0.52,f=-0.064) USER MOD Single : A 44 GLN : amide:sc= -0.0786 X(o=-0.079,f=-0.083) USER MOD Single : A 46 LYS NZ :NH3+ -157:sc= 0.474 (180deg=0.251) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.446 X(o=-0.45,f=-0.26) USER MOD Single : A 54 HIS : no HD1:sc=-0.00526 X(o=-0.0053,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 137:sc= -1.09 (180deg=-3.37!) USER MOD Single : A 57 LYS NZ :NH3+ -170:sc= 0.683 (180deg=0.29) USER MOD Single : A 58 LYS NZ :NH3+ -110:sc= 1.19 (180deg=-0.287) USER MOD Single : A 62 HIS : no HD1:sc= -2.89 X(o=-2.9,f=-3.3) USER MOD Single : A 63 CYS SG : rot 50:sc= -1.78 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 81:sc= 0.61 USER MOD Single : A 76 MET CE :methyl -120:sc= -1.43 (180deg=-2.21!) USER MOD Single : A 77 HIS : no HD1:sc= -1.21 K(o=-1.2,f=-2.6!) USER MOD Single : A 81 TYR OH : rot 165:sc= -0.278 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 -100:sc= -0.728 USER MOD Single : A 89 ASN : amide:sc= -0.601 K(o=-0.6,f=-0.02) USER MOD Single : A 91 TYR OH : rot 12:sc= 0.351 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl -167:sc= -0.427 (180deg=-0.847) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 37:sc= 0.28 USER MOD Single : A 106 CYS SG : rot 17:sc= 0.283 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -1.65! K(o=-1.6!,f=-0.025) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.876 15.981 -5.987 1.00 0.00 N ATOM 2 CA MET A 1 -6.235 15.362 -7.291 1.00 0.00 C ATOM 3 C MET A 1 -5.477 14.014 -7.453 1.00 0.00 C ATOM 4 O MET A 1 -4.829 13.743 -8.471 1.00 0.00 O ATOM 5 CB MET A 1 -5.940 16.385 -8.431 1.00 0.00 C ATOM 6 CG MET A 1 -6.491 16.013 -9.819 1.00 0.00 C ATOM 7 SD MET A 1 -6.376 17.370 -11.012 1.00 0.00 S ATOM 8 CE MET A 1 -7.478 18.590 -10.277 1.00 0.00 C ATOM 0 H1 MET A 1 -6.383 16.882 -5.879 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.142 15.339 -5.213 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.851 16.155 -5.956 1.00 0.00 H new ATOM 0 HA MET A 1 -7.298 15.125 -7.339 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.354 17.352 -8.143 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.860 16.511 -8.511 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.944 15.152 -10.202 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.533 15.710 -9.721 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.830 19.275 -11.049 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.331 18.084 -9.825 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.941 19.151 -9.512 1.00 0.00 H new ATOM 20 N LEU A 2 -5.552 13.174 -6.399 1.00 0.00 N ATOM 21 CA LEU A 2 -4.872 11.859 -6.363 1.00 0.00 C ATOM 22 C LEU A 2 -5.733 10.730 -6.963 1.00 0.00 C ATOM 23 O LEU A 2 -5.281 9.588 -7.020 1.00 0.00 O ATOM 24 CB LEU A 2 -4.450 11.474 -4.912 1.00 0.00 C ATOM 25 CG LEU A 2 -5.525 10.803 -3.990 1.00 0.00 C ATOM 26 CD1 LEU A 2 -4.874 10.231 -2.723 1.00 0.00 C ATOM 27 CD2 LEU A 2 -6.673 11.764 -3.634 1.00 0.00 C ATOM 0 H LEU A 2 -6.082 13.385 -5.553 1.00 0.00 H new ATOM 0 HA LEU A 2 -3.980 11.968 -6.980 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.598 10.797 -4.980 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -4.100 12.378 -4.414 1.00 0.00 H new ATOM 0 HG LEU A 2 -5.965 9.982 -4.556 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.638 9.770 -2.098 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -4.133 9.482 -3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -4.388 11.034 -2.169 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -7.391 11.252 -2.994 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -6.272 12.631 -3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -7.170 12.091 -4.547 1.00 0.00 H new ATOM 39 N GLU A 3 -6.977 11.036 -7.373 1.00 0.00 N ATOM 40 CA GLU A 3 -7.934 10.014 -7.867 1.00 0.00 C ATOM 41 C GLU A 3 -7.404 9.304 -9.145 1.00 0.00 C ATOM 42 O GLU A 3 -7.806 8.182 -9.462 1.00 0.00 O ATOM 43 CB GLU A 3 -9.341 10.633 -8.115 1.00 0.00 C ATOM 44 CG GLU A 3 -9.473 11.545 -9.356 1.00 0.00 C ATOM 45 CD GLU A 3 -8.604 12.812 -9.308 1.00 0.00 C ATOM 46 OE1 GLU A 3 -9.032 13.816 -8.701 1.00 0.00 O ATOM 47 OE2 GLU A 3 -7.486 12.805 -9.869 1.00 0.00 O ATOM 0 H GLU A 3 -7.350 11.985 -7.374 1.00 0.00 H new ATOM 0 HA GLU A 3 -8.032 9.258 -7.088 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -10.062 9.821 -8.208 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -9.622 11.210 -7.234 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -9.208 10.971 -10.244 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -10.517 11.839 -9.466 1.00 0.00 H new ATOM 54 N ASP A 4 -6.487 9.990 -9.852 1.00 0.00 N ATOM 55 CA ASP A 4 -5.760 9.454 -11.021 1.00 0.00 C ATOM 56 C ASP A 4 -4.793 8.310 -10.607 1.00 0.00 C ATOM 57 O ASP A 4 -4.564 7.363 -11.368 1.00 0.00 O ATOM 58 CB ASP A 4 -4.974 10.611 -11.695 1.00 0.00 C ATOM 59 CG ASP A 4 -4.242 10.206 -12.991 1.00 0.00 C ATOM 60 OD1 ASP A 4 -4.921 9.912 -13.997 1.00 0.00 O ATOM 61 OD2 ASP A 4 -2.992 10.171 -13.009 1.00 0.00 O ATOM 0 H ASP A 4 -6.225 10.949 -9.624 1.00 0.00 H new ATOM 0 HA ASP A 4 -6.478 9.034 -11.725 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -5.666 11.423 -11.920 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -4.244 11.001 -10.986 1.00 0.00 H new ATOM 66 N TYR A 5 -4.251 8.426 -9.381 1.00 0.00 N ATOM 67 CA TYR A 5 -3.301 7.455 -8.776 1.00 0.00 C ATOM 68 C TYR A 5 -4.021 6.205 -8.201 1.00 0.00 C ATOM 69 O TYR A 5 -3.365 5.326 -7.619 1.00 0.00 O ATOM 70 CB TYR A 5 -2.487 8.148 -7.638 1.00 0.00 C ATOM 71 CG TYR A 5 -1.561 9.302 -8.083 1.00 0.00 C ATOM 72 CD1 TYR A 5 -2.076 10.484 -8.633 1.00 0.00 C ATOM 73 CD2 TYR A 5 -0.174 9.212 -7.936 1.00 0.00 C ATOM 74 CE1 TYR A 5 -1.243 11.515 -9.021 1.00 0.00 C ATOM 75 CE2 TYR A 5 0.657 10.243 -8.321 1.00 0.00 C ATOM 76 CZ TYR A 5 0.121 11.392 -8.859 1.00 0.00 C ATOM 77 OH TYR A 5 0.951 12.426 -9.232 1.00 0.00 O ATOM 0 H TYR A 5 -4.461 9.211 -8.765 1.00 0.00 H new ATOM 0 HA TYR A 5 -2.634 7.120 -9.570 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -3.188 8.534 -6.898 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.881 7.392 -7.138 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.144 10.590 -8.756 1.00 0.00 H new ATOM 0 HD2 TYR A 5 0.256 8.316 -7.512 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.659 12.415 -9.450 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.726 10.150 -8.201 1.00 0.00 H new ATOM 0 HH TYR A 5 1.882 12.180 -9.051 1.00 0.00 H new ATOM 87 N ALA A 6 -5.367 6.149 -8.334 1.00 0.00 N ATOM 88 CA ALA A 6 -6.175 5.009 -7.853 1.00 0.00 C ATOM 89 C ALA A 6 -5.994 3.791 -8.766 1.00 0.00 C ATOM 90 O ALA A 6 -6.479 3.779 -9.900 1.00 0.00 O ATOM 91 CB ALA A 6 -7.661 5.391 -7.750 1.00 0.00 C ATOM 0 H ALA A 6 -5.917 6.887 -8.774 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.823 4.746 -6.856 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.233 4.534 -7.394 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.776 6.220 -7.052 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.029 5.690 -8.732 1.00 0.00 H new ATOM 97 N ILE A 7 -5.264 2.789 -8.271 1.00 0.00 N ATOM 98 CA ILE A 7 -4.987 1.546 -9.005 1.00 0.00 C ATOM 99 C ILE A 7 -5.883 0.419 -8.454 1.00 0.00 C ATOM 100 O ILE A 7 -6.101 0.332 -7.238 1.00 0.00 O ATOM 101 CB ILE A 7 -3.458 1.168 -8.907 1.00 0.00 C ATOM 102 CG1 ILE A 7 -2.577 2.386 -9.360 1.00 0.00 C ATOM 103 CG2 ILE A 7 -3.131 -0.094 -9.743 1.00 0.00 C ATOM 104 CD1 ILE A 7 -1.076 2.146 -9.368 1.00 0.00 C ATOM 0 H ILE A 7 -4.844 2.815 -7.342 1.00 0.00 H new ATOM 0 HA ILE A 7 -5.216 1.690 -10.061 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.228 0.934 -7.867 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.885 2.680 -10.363 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.788 3.229 -8.702 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.070 -0.325 -9.653 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.718 -0.936 -9.376 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -3.374 0.090 -10.789 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.565 3.051 -9.696 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.744 1.886 -8.363 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.842 1.329 -10.051 1.00 0.00 H new ATOM 116 N SER A 8 -6.424 -0.415 -9.359 1.00 0.00 N ATOM 117 CA SER A 8 -7.292 -1.560 -9.006 1.00 0.00 C ATOM 118 C SER A 8 -6.498 -2.879 -9.050 1.00 0.00 C ATOM 119 O SER A 8 -5.479 -2.973 -9.739 1.00 0.00 O ATOM 120 CB SER A 8 -8.486 -1.624 -9.977 1.00 0.00 C ATOM 121 OG SER A 8 -9.226 -0.421 -9.950 1.00 0.00 O ATOM 0 H SER A 8 -6.272 -0.316 -10.363 1.00 0.00 H new ATOM 0 HA SER A 8 -7.662 -1.420 -7.990 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.127 -1.811 -10.989 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.133 -2.459 -9.709 1.00 0.00 H new ATOM 0 HG SER A 8 -9.978 -0.485 -10.576 1.00 0.00 H new ATOM 127 N LEU A 9 -6.982 -3.895 -8.312 1.00 0.00 N ATOM 128 CA LEU A 9 -6.338 -5.229 -8.220 1.00 0.00 C ATOM 129 C LEU A 9 -6.277 -5.949 -9.599 1.00 0.00 C ATOM 130 O LEU A 9 -5.324 -6.688 -9.884 1.00 0.00 O ATOM 131 CB LEU A 9 -7.081 -6.080 -7.145 1.00 0.00 C ATOM 132 CG LEU A 9 -6.592 -7.549 -6.931 1.00 0.00 C ATOM 133 CD1 LEU A 9 -5.066 -7.618 -6.713 1.00 0.00 C ATOM 134 CD2 LEU A 9 -7.352 -8.222 -5.759 1.00 0.00 C ATOM 0 H LEU A 9 -7.835 -3.818 -7.758 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.300 -5.099 -7.912 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.008 -5.558 -6.191 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.138 -6.111 -7.411 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.815 -8.102 -7.843 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.766 -8.656 -6.568 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.555 -7.211 -7.586 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.798 -7.036 -5.831 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.993 -9.243 -5.631 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.179 -7.659 -4.842 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.419 -8.238 -5.979 1.00 0.00 H new ATOM 146 N GLU A 10 -7.282 -5.693 -10.442 1.00 0.00 N ATOM 147 CA GLU A 10 -7.379 -6.267 -11.805 1.00 0.00 C ATOM 148 C GLU A 10 -6.235 -5.791 -12.745 1.00 0.00 C ATOM 149 O GLU A 10 -5.844 -6.519 -13.663 1.00 0.00 O ATOM 150 CB GLU A 10 -8.752 -5.897 -12.430 1.00 0.00 C ATOM 151 CG GLU A 10 -9.017 -4.375 -12.524 1.00 0.00 C ATOM 152 CD GLU A 10 -10.302 -4.016 -13.279 1.00 0.00 C ATOM 153 OE1 GLU A 10 -11.401 -4.146 -12.699 1.00 0.00 O ATOM 154 OE2 GLU A 10 -10.219 -3.598 -14.455 1.00 0.00 O ATOM 0 H GLU A 10 -8.061 -5.079 -10.205 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.283 -7.348 -11.704 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.811 -6.327 -13.430 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.544 -6.356 -11.838 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.071 -3.962 -11.517 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.171 -3.898 -13.019 1.00 0.00 H new ATOM 161 N GLU A 11 -5.709 -4.575 -12.499 1.00 0.00 N ATOM 162 CA GLU A 11 -4.769 -3.888 -13.427 1.00 0.00 C ATOM 163 C GLU A 11 -3.361 -3.717 -12.821 1.00 0.00 C ATOM 164 O GLU A 11 -2.418 -3.366 -13.543 1.00 0.00 O ATOM 165 CB GLU A 11 -5.338 -2.495 -13.805 1.00 0.00 C ATOM 166 CG GLU A 11 -5.616 -1.583 -12.589 1.00 0.00 C ATOM 167 CD GLU A 11 -5.979 -0.139 -12.945 1.00 0.00 C ATOM 168 OE1 GLU A 11 -7.067 0.080 -13.509 1.00 0.00 O ATOM 169 OE2 GLU A 11 -5.188 0.784 -12.652 1.00 0.00 O ATOM 0 H GLU A 11 -5.918 -4.038 -11.658 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.671 -4.516 -14.313 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.634 -1.994 -14.470 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.264 -2.631 -14.364 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.429 -2.015 -12.006 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.734 -1.575 -11.949 1.00 0.00 H new ATOM 176 N VAL A 12 -3.228 -3.945 -11.502 1.00 0.00 N ATOM 177 CA VAL A 12 -1.989 -3.645 -10.757 1.00 0.00 C ATOM 178 C VAL A 12 -0.859 -4.646 -11.083 1.00 0.00 C ATOM 179 O VAL A 12 -1.115 -5.782 -11.476 1.00 0.00 O ATOM 180 CB VAL A 12 -2.256 -3.626 -9.201 1.00 0.00 C ATOM 181 CG1 VAL A 12 -2.618 -5.022 -8.652 1.00 0.00 C ATOM 182 CG2 VAL A 12 -1.076 -3.000 -8.417 1.00 0.00 C ATOM 0 H VAL A 12 -3.970 -4.340 -10.924 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.663 -2.655 -11.075 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.125 -2.986 -9.047 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.792 -4.957 -7.578 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.520 -5.384 -9.145 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.797 -5.713 -8.845 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.303 -3.008 -7.351 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.170 -3.578 -8.599 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.923 -1.973 -8.748 1.00 0.00 H new ATOM 192 N ASN A 13 0.390 -4.184 -10.958 1.00 0.00 N ATOM 193 CA ASN A 13 1.587 -5.034 -10.949 1.00 0.00 C ATOM 194 C ASN A 13 2.422 -4.628 -9.737 1.00 0.00 C ATOM 195 O ASN A 13 3.146 -3.648 -9.804 1.00 0.00 O ATOM 196 CB ASN A 13 2.405 -4.867 -12.262 1.00 0.00 C ATOM 197 CG ASN A 13 1.711 -5.456 -13.488 1.00 0.00 C ATOM 198 OD1 ASN A 13 1.909 -6.624 -13.829 1.00 0.00 O ATOM 199 ND2 ASN A 13 0.870 -4.667 -14.145 1.00 0.00 N ATOM 0 H ASN A 13 0.602 -3.191 -10.858 1.00 0.00 H new ATOM 0 HA ASN A 13 1.303 -6.085 -10.887 1.00 0.00 H new ATOM 0 HB2 ASN A 13 2.591 -3.807 -12.433 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.377 -5.345 -12.139 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.366 -5.023 -14.957 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.728 -3.705 -13.838 1.00 0.00 H new ATOM 206 N PHE A 14 2.284 -5.360 -8.616 1.00 0.00 N ATOM 207 CA PHE A 14 2.968 -5.005 -7.346 1.00 0.00 C ATOM 208 C PHE A 14 4.499 -4.961 -7.517 1.00 0.00 C ATOM 209 O PHE A 14 5.164 -4.088 -6.959 1.00 0.00 O ATOM 210 CB PHE A 14 2.568 -5.980 -6.213 1.00 0.00 C ATOM 211 CG PHE A 14 1.083 -5.929 -5.876 1.00 0.00 C ATOM 212 CD1 PHE A 14 0.529 -4.770 -5.357 1.00 0.00 C ATOM 213 CD2 PHE A 14 0.248 -7.028 -6.060 1.00 0.00 C ATOM 214 CE1 PHE A 14 -0.807 -4.705 -5.033 1.00 0.00 C ATOM 215 CE2 PHE A 14 -1.092 -6.961 -5.738 1.00 0.00 C ATOM 216 CZ PHE A 14 -1.620 -5.799 -5.224 1.00 0.00 C ATOM 0 H PHE A 14 1.708 -6.200 -8.558 1.00 0.00 H new ATOM 0 HA PHE A 14 2.641 -4.003 -7.068 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.833 -6.996 -6.506 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.145 -5.745 -5.319 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.156 -3.904 -5.204 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.655 -7.945 -6.460 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.219 -3.793 -4.628 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.727 -7.821 -5.890 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.669 -5.746 -4.971 1.00 0.00 H new ATOM 226 N ASN A 15 5.017 -5.873 -8.351 1.00 0.00 N ATOM 227 CA ASN A 15 6.456 -5.966 -8.683 1.00 0.00 C ATOM 228 C ASN A 15 6.985 -4.692 -9.395 1.00 0.00 C ATOM 229 O ASN A 15 8.187 -4.421 -9.361 1.00 0.00 O ATOM 230 CB ASN A 15 6.733 -7.223 -9.557 1.00 0.00 C ATOM 231 CG ASN A 15 5.967 -7.244 -10.892 1.00 0.00 C ATOM 232 OD1 ASN A 15 4.827 -6.787 -10.986 1.00 0.00 O ATOM 233 ND2 ASN A 15 6.591 -7.765 -11.934 1.00 0.00 N ATOM 0 H ASN A 15 4.448 -6.577 -8.822 1.00 0.00 H new ATOM 0 HA ASN A 15 6.994 -6.056 -7.739 1.00 0.00 H new ATOM 0 HB2 ASN A 15 7.802 -7.280 -9.763 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.470 -8.114 -8.986 1.00 0.00 H new ATOM 0 HD21 ASN A 15 6.129 -7.795 -12.843 1.00 0.00 H new ATOM 0 HD22 ASN A 15 7.535 -8.137 -11.830 1.00 0.00 H new ATOM 240 N ASP A 16 6.073 -3.931 -10.031 1.00 0.00 N ATOM 241 CA ASP A 16 6.399 -2.672 -10.746 1.00 0.00 C ATOM 242 C ASP A 16 6.755 -1.537 -9.759 1.00 0.00 C ATOM 243 O ASP A 16 7.614 -0.695 -10.058 1.00 0.00 O ATOM 244 CB ASP A 16 5.198 -2.241 -11.641 1.00 0.00 C ATOM 245 CG ASP A 16 5.445 -0.958 -12.455 1.00 0.00 C ATOM 246 OD1 ASP A 16 6.411 -0.923 -13.247 1.00 0.00 O ATOM 247 OD2 ASP A 16 4.672 0.014 -12.325 1.00 0.00 O ATOM 0 H ASP A 16 5.082 -4.170 -10.066 1.00 0.00 H new ATOM 0 HA ASP A 16 7.271 -2.859 -11.373 1.00 0.00 H new ATOM 0 HB2 ASP A 16 4.962 -3.054 -12.328 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.323 -2.093 -11.008 1.00 0.00 H new ATOM 252 N PHE A 17 6.096 -1.525 -8.582 1.00 0.00 N ATOM 253 CA PHE A 17 6.261 -0.448 -7.568 1.00 0.00 C ATOM 254 C PHE A 17 7.005 -0.997 -6.334 1.00 0.00 C ATOM 255 O PHE A 17 7.156 -2.214 -6.174 1.00 0.00 O ATOM 256 CB PHE A 17 4.877 0.140 -7.115 1.00 0.00 C ATOM 257 CG PHE A 17 3.802 0.178 -8.204 1.00 0.00 C ATOM 258 CD1 PHE A 17 2.946 -0.905 -8.400 1.00 0.00 C ATOM 259 CD2 PHE A 17 3.666 1.273 -9.042 1.00 0.00 C ATOM 260 CE1 PHE A 17 2.004 -0.891 -9.405 1.00 0.00 C ATOM 261 CE2 PHE A 17 2.721 1.289 -10.043 1.00 0.00 C ATOM 262 CZ PHE A 17 1.890 0.202 -10.228 1.00 0.00 C ATOM 0 H PHE A 17 5.438 -2.253 -8.303 1.00 0.00 H new ATOM 0 HA PHE A 17 6.839 0.352 -8.030 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.504 -0.451 -6.278 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.033 1.153 -6.745 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.023 -1.767 -7.754 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.312 2.128 -8.908 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.354 -1.742 -9.546 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.630 2.153 -10.684 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.153 0.211 -11.017 1.00 0.00 H new ATOM 272 N ILE A 18 7.498 -0.081 -5.482 1.00 0.00 N ATOM 273 CA ILE A 18 7.899 -0.401 -4.102 1.00 0.00 C ATOM 274 C ILE A 18 6.660 -0.199 -3.226 1.00 0.00 C ATOM 275 O ILE A 18 6.233 0.934 -2.987 1.00 0.00 O ATOM 276 CB ILE A 18 9.090 0.496 -3.585 1.00 0.00 C ATOM 277 CG1 ILE A 18 10.330 0.363 -4.534 1.00 0.00 C ATOM 278 CG2 ILE A 18 9.462 0.130 -2.119 1.00 0.00 C ATOM 279 CD1 ILE A 18 11.523 1.227 -4.150 1.00 0.00 C ATOM 0 H ILE A 18 7.629 0.900 -5.731 1.00 0.00 H new ATOM 0 HA ILE A 18 8.265 -1.427 -4.060 1.00 0.00 H new ATOM 0 HB ILE A 18 8.767 1.537 -3.595 1.00 0.00 H new ATOM 0 HG12 ILE A 18 10.646 -0.680 -4.552 1.00 0.00 H new ATOM 0 HG13 ILE A 18 10.023 0.621 -5.548 1.00 0.00 H new ATOM 0 HG21 ILE A 18 10.285 0.761 -1.784 1.00 0.00 H new ATOM 0 HG22 ILE A 18 8.598 0.288 -1.474 1.00 0.00 H new ATOM 0 HG23 ILE A 18 9.764 -0.916 -2.071 1.00 0.00 H new ATOM 0 HD11 ILE A 18 12.332 1.068 -4.863 1.00 0.00 H new ATOM 0 HD12 ILE A 18 11.230 2.277 -4.161 1.00 0.00 H new ATOM 0 HD13 ILE A 18 11.862 0.955 -3.150 1.00 0.00 H new ATOM 291 N VAL A 19 6.071 -1.305 -2.775 1.00 0.00 N ATOM 292 CA VAL A 19 4.740 -1.296 -2.163 1.00 0.00 C ATOM 293 C VAL A 19 4.868 -1.059 -0.644 1.00 0.00 C ATOM 294 O VAL A 19 5.920 -1.305 -0.051 1.00 0.00 O ATOM 295 CB VAL A 19 3.988 -2.645 -2.506 1.00 0.00 C ATOM 296 CG1 VAL A 19 2.544 -2.674 -1.978 1.00 0.00 C ATOM 297 CG2 VAL A 19 3.988 -2.899 -4.035 1.00 0.00 C ATOM 0 H VAL A 19 6.499 -2.230 -2.822 1.00 0.00 H new ATOM 0 HA VAL A 19 4.142 -0.480 -2.568 1.00 0.00 H new ATOM 0 HB VAL A 19 4.538 -3.439 -2.001 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.079 -3.623 -2.243 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.551 -2.564 -0.894 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.978 -1.856 -2.422 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.466 -3.832 -4.249 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.483 -2.076 -4.541 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.015 -2.968 -4.392 1.00 0.00 H new ATOM 307 N VAL A 20 3.814 -0.501 -0.040 1.00 0.00 N ATOM 308 CA VAL A 20 3.697 -0.324 1.419 1.00 0.00 C ATOM 309 C VAL A 20 2.337 -0.865 1.863 1.00 0.00 C ATOM 310 O VAL A 20 1.314 -0.544 1.258 1.00 0.00 O ATOM 311 CB VAL A 20 3.830 1.191 1.846 1.00 0.00 C ATOM 312 CG1 VAL A 20 3.546 1.403 3.355 1.00 0.00 C ATOM 313 CG2 VAL A 20 5.216 1.763 1.473 1.00 0.00 C ATOM 0 H VAL A 20 3.005 -0.153 -0.554 1.00 0.00 H new ATOM 0 HA VAL A 20 4.510 -0.868 1.900 1.00 0.00 H new ATOM 0 HB VAL A 20 3.069 1.737 1.288 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.650 2.460 3.600 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.532 1.076 3.584 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.256 0.823 3.944 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.274 2.807 1.781 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.994 1.192 1.980 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.360 1.694 0.395 1.00 0.00 H new ATOM 323 N ASP A 21 2.337 -1.705 2.903 1.00 0.00 N ATOM 324 CA ASP A 21 1.102 -2.179 3.529 1.00 0.00 C ATOM 325 C ASP A 21 0.704 -1.154 4.601 1.00 0.00 C ATOM 326 O ASP A 21 1.368 -1.071 5.635 1.00 0.00 O ATOM 327 CB ASP A 21 1.303 -3.599 4.151 1.00 0.00 C ATOM 328 CG ASP A 21 0.008 -4.435 4.168 1.00 0.00 C ATOM 329 OD1 ASP A 21 -1.082 -3.874 4.378 1.00 0.00 O ATOM 330 OD2 ASP A 21 0.074 -5.657 3.892 1.00 0.00 O ATOM 0 H ASP A 21 3.187 -2.072 3.331 1.00 0.00 H new ATOM 0 HA ASP A 21 0.309 -2.271 2.786 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.067 -4.133 3.586 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.675 -3.494 5.170 1.00 0.00 H new ATOM 335 N VAL A 22 -0.345 -0.341 4.319 1.00 0.00 N ATOM 336 CA VAL A 22 -0.789 0.740 5.233 1.00 0.00 C ATOM 337 C VAL A 22 -1.931 0.254 6.143 1.00 0.00 C ATOM 338 O VAL A 22 -3.114 0.539 5.905 1.00 0.00 O ATOM 339 CB VAL A 22 -1.198 2.048 4.435 1.00 0.00 C ATOM 340 CG1 VAL A 22 0.061 2.772 3.901 1.00 0.00 C ATOM 341 CG2 VAL A 22 -2.176 1.728 3.271 1.00 0.00 C ATOM 0 H VAL A 22 -0.899 -0.414 3.466 1.00 0.00 H new ATOM 0 HA VAL A 22 0.055 1.005 5.869 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.717 2.709 5.129 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.238 3.667 3.356 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.701 3.053 4.737 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.608 2.106 3.233 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.433 2.649 2.748 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.700 1.037 2.576 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.082 1.273 3.672 1.00 0.00 H new ATOM 351 N ARG A 23 -1.561 -0.475 7.221 1.00 0.00 N ATOM 352 CA ARG A 23 -2.536 -1.023 8.196 1.00 0.00 C ATOM 353 C ARG A 23 -1.897 -1.152 9.606 1.00 0.00 C ATOM 354 O ARG A 23 -1.905 -0.180 10.360 1.00 0.00 O ATOM 355 CB ARG A 23 -3.144 -2.387 7.739 1.00 0.00 C ATOM 356 CG ARG A 23 -4.047 -2.357 6.487 1.00 0.00 C ATOM 357 CD ARG A 23 -4.598 -3.744 6.116 1.00 0.00 C ATOM 358 NE ARG A 23 -3.546 -4.687 5.697 1.00 0.00 N ATOM 359 CZ ARG A 23 -3.713 -5.992 5.427 1.00 0.00 C ATOM 360 NH1 ARG A 23 -4.847 -6.615 5.713 1.00 0.00 N ATOM 361 NH2 ARG A 23 -2.691 -6.687 4.951 1.00 0.00 N ATOM 0 H ARG A 23 -0.590 -0.699 7.439 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.360 -0.311 8.247 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.324 -3.080 7.551 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.723 -2.796 8.567 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.879 -1.675 6.661 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.480 -1.959 5.645 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.130 -4.159 6.972 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.324 -3.637 5.310 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.602 -4.313 5.603 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.615 -6.103 6.147 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.952 -7.607 5.499 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.793 -6.230 4.794 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.802 -7.679 4.741 1.00 0.00 H new ATOM 375 N GLU A 24 -1.322 -2.342 9.954 1.00 0.00 N ATOM 376 CA GLU A 24 -0.911 -2.692 11.358 1.00 0.00 C ATOM 377 C GLU A 24 0.134 -3.840 11.392 1.00 0.00 C ATOM 378 O GLU A 24 0.310 -4.564 10.417 1.00 0.00 O ATOM 379 CB GLU A 24 -2.159 -3.099 12.221 1.00 0.00 C ATOM 380 CG GLU A 24 -3.013 -1.921 12.747 1.00 0.00 C ATOM 381 CD GLU A 24 -4.275 -2.362 13.510 1.00 0.00 C ATOM 382 OE1 GLU A 24 -5.273 -2.737 12.854 1.00 0.00 O ATOM 383 OE2 GLU A 24 -4.276 -2.351 14.763 1.00 0.00 O ATOM 0 H GLU A 24 -1.130 -3.082 9.279 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.451 -1.799 11.780 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.797 -3.750 11.623 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.815 -3.685 13.073 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.399 -1.304 13.404 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.309 -1.294 11.906 1.00 0.00 H new ATOM 390 N LEU A 25 0.816 -4.011 12.547 1.00 0.00 N ATOM 391 CA LEU A 25 1.792 -5.115 12.742 1.00 0.00 C ATOM 392 C LEU A 25 1.120 -6.491 12.551 1.00 0.00 C ATOM 393 O LEU A 25 1.640 -7.335 11.826 1.00 0.00 O ATOM 394 CB LEU A 25 2.446 -5.047 14.152 1.00 0.00 C ATOM 395 CG LEU A 25 3.364 -6.259 14.561 1.00 0.00 C ATOM 396 CD1 LEU A 25 4.636 -6.349 13.686 1.00 0.00 C ATOM 397 CD2 LEU A 25 3.717 -6.216 16.067 1.00 0.00 C ATOM 0 H LEU A 25 0.711 -3.402 13.358 1.00 0.00 H new ATOM 0 HA LEU A 25 2.570 -4.993 11.988 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.040 -4.135 14.209 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.651 -4.956 14.892 1.00 0.00 H new ATOM 0 HG LEU A 25 2.790 -7.167 14.380 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.238 -7.200 14.005 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.351 -6.478 12.642 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.217 -5.433 13.793 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.352 -7.066 16.316 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.247 -5.290 16.290 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.801 -6.261 16.657 1.00 0.00 H new ATOM 409 N ASP A 26 -0.048 -6.677 13.191 1.00 0.00 N ATOM 410 CA ASP A 26 -0.743 -7.985 13.262 1.00 0.00 C ATOM 411 C ASP A 26 -1.065 -8.556 11.863 1.00 0.00 C ATOM 412 O ASP A 26 -0.877 -9.762 11.620 1.00 0.00 O ATOM 413 CB ASP A 26 -2.034 -7.849 14.108 1.00 0.00 C ATOM 414 CG ASP A 26 -2.798 -9.180 14.297 1.00 0.00 C ATOM 415 OD1 ASP A 26 -2.288 -10.074 15.007 1.00 0.00 O ATOM 416 OD2 ASP A 26 -3.909 -9.343 13.742 1.00 0.00 O ATOM 0 H ASP A 26 -0.541 -5.927 13.676 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.067 -8.693 13.742 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.775 -7.447 15.088 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.695 -7.125 13.631 1.00 0.00 H new ATOM 421 N GLU A 27 -1.522 -7.681 10.939 1.00 0.00 N ATOM 422 CA GLU A 27 -1.815 -8.097 9.552 1.00 0.00 C ATOM 423 C GLU A 27 -0.524 -8.471 8.814 1.00 0.00 C ATOM 424 O GLU A 27 -0.490 -9.479 8.125 1.00 0.00 O ATOM 425 CB GLU A 27 -2.645 -7.022 8.788 1.00 0.00 C ATOM 426 CG GLU A 27 -2.057 -5.589 8.722 1.00 0.00 C ATOM 427 CD GLU A 27 -0.943 -5.312 7.662 1.00 0.00 C ATOM 428 OE1 GLU A 27 -0.699 -6.155 6.787 1.00 0.00 O ATOM 429 OE2 GLU A 27 -0.335 -4.222 7.700 1.00 0.00 O ATOM 0 H GLU A 27 -1.694 -6.693 11.127 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.438 -8.990 9.592 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.795 -7.373 7.767 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.629 -6.962 9.252 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.878 -4.897 8.535 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.653 -5.346 9.705 1.00 0.00 H new ATOM 436 N TYR A 28 0.537 -7.658 9.006 1.00 0.00 N ATOM 437 CA TYR A 28 1.868 -7.881 8.389 1.00 0.00 C ATOM 438 C TYR A 28 2.425 -9.268 8.747 1.00 0.00 C ATOM 439 O TYR A 28 3.110 -9.909 7.935 1.00 0.00 O ATOM 440 CB TYR A 28 2.812 -6.745 8.856 1.00 0.00 C ATOM 441 CG TYR A 28 4.307 -6.891 8.500 1.00 0.00 C ATOM 442 CD1 TYR A 28 4.807 -6.490 7.258 1.00 0.00 C ATOM 443 CD2 TYR A 28 5.222 -7.403 9.426 1.00 0.00 C ATOM 444 CE1 TYR A 28 6.156 -6.599 6.962 1.00 0.00 C ATOM 445 CE2 TYR A 28 6.564 -7.512 9.128 1.00 0.00 C ATOM 446 CZ TYR A 28 7.027 -7.110 7.901 1.00 0.00 C ATOM 447 OH TYR A 28 8.369 -7.235 7.604 1.00 0.00 O ATOM 0 H TYR A 28 0.497 -6.826 9.594 1.00 0.00 H new ATOM 0 HA TYR A 28 1.782 -7.859 7.303 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.452 -5.808 8.431 1.00 0.00 H new ATOM 0 HB3 TYR A 28 2.728 -6.657 9.939 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.131 -6.089 6.517 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.869 -7.720 10.396 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.525 -6.284 5.997 1.00 0.00 H new ATOM 0 HE2 TYR A 28 7.250 -7.913 9.860 1.00 0.00 H new ATOM 0 HH TYR A 28 8.841 -7.611 8.376 1.00 0.00 H new ATOM 457 N GLU A 29 2.103 -9.706 9.972 1.00 0.00 N ATOM 458 CA GLU A 29 2.517 -11.002 10.504 1.00 0.00 C ATOM 459 C GLU A 29 1.744 -12.169 9.841 1.00 0.00 C ATOM 460 O GLU A 29 2.334 -13.211 9.547 1.00 0.00 O ATOM 461 CB GLU A 29 2.324 -11.029 12.044 1.00 0.00 C ATOM 462 CG GLU A 29 3.109 -9.960 12.835 1.00 0.00 C ATOM 463 CD GLU A 29 4.640 -10.123 12.781 1.00 0.00 C ATOM 464 OE1 GLU A 29 5.283 -9.623 11.837 1.00 0.00 O ATOM 465 OE2 GLU A 29 5.209 -10.740 13.705 1.00 0.00 O ATOM 0 H GLU A 29 1.541 -9.160 10.625 1.00 0.00 H new ATOM 0 HA GLU A 29 3.573 -11.137 10.271 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.263 -10.909 12.261 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.615 -12.013 12.411 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.847 -8.975 12.449 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.789 -9.989 13.877 1.00 0.00 H new ATOM 472 N GLU A 30 0.419 -12.016 9.624 1.00 0.00 N ATOM 473 CA GLU A 30 -0.403 -13.124 9.067 1.00 0.00 C ATOM 474 C GLU A 30 -0.241 -13.237 7.526 1.00 0.00 C ATOM 475 O GLU A 30 -0.101 -14.352 7.001 1.00 0.00 O ATOM 476 CB GLU A 30 -1.896 -12.996 9.479 1.00 0.00 C ATOM 477 CG GLU A 30 -2.616 -11.751 8.954 1.00 0.00 C ATOM 478 CD GLU A 30 -4.111 -11.737 9.281 1.00 0.00 C ATOM 479 OE1 GLU A 30 -4.906 -12.336 8.518 1.00 0.00 O ATOM 480 OE2 GLU A 30 -4.501 -11.137 10.303 1.00 0.00 O ATOM 0 H GLU A 30 -0.099 -11.159 9.819 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.029 -14.052 9.500 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.430 -13.879 9.128 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.957 -12.999 10.567 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.149 -10.863 9.379 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.486 -11.693 7.873 1.00 0.00 H new ATOM 487 N LEU A 31 -0.259 -12.083 6.815 1.00 0.00 N ATOM 488 CA LEU A 31 -0.006 -12.020 5.359 1.00 0.00 C ATOM 489 C LEU A 31 0.327 -10.580 4.916 1.00 0.00 C ATOM 490 O LEU A 31 -0.235 -9.616 5.441 1.00 0.00 O ATOM 491 CB LEU A 31 -1.206 -12.573 4.504 1.00 0.00 C ATOM 492 CG LEU A 31 -2.386 -11.599 4.125 1.00 0.00 C ATOM 493 CD1 LEU A 31 -3.341 -12.261 3.107 1.00 0.00 C ATOM 494 CD2 LEU A 31 -3.164 -11.102 5.363 1.00 0.00 C ATOM 0 H LEU A 31 -0.449 -11.173 7.236 1.00 0.00 H new ATOM 0 HA LEU A 31 0.853 -12.665 5.175 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.794 -12.968 3.575 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.636 -13.415 5.046 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.934 -10.722 3.661 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.147 -11.569 2.861 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.790 -12.512 2.201 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.761 -13.169 3.540 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.965 -10.435 5.045 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.590 -11.955 5.892 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.487 -10.565 6.027 1.00 0.00 H new ATOM 506 N HIS A 32 1.221 -10.460 3.925 1.00 0.00 N ATOM 507 CA HIS A 32 1.522 -9.183 3.254 1.00 0.00 C ATOM 508 C HIS A 32 2.326 -9.473 1.975 1.00 0.00 C ATOM 509 O HIS A 32 2.857 -10.574 1.809 1.00 0.00 O ATOM 510 CB HIS A 32 2.286 -8.202 4.196 1.00 0.00 C ATOM 511 CG HIS A 32 3.753 -8.496 4.371 1.00 0.00 C ATOM 512 ND1 HIS A 32 4.237 -9.651 4.944 1.00 0.00 N ATOM 513 CD2 HIS A 32 4.843 -7.797 3.976 1.00 0.00 C ATOM 514 CE1 HIS A 32 5.552 -9.633 4.900 1.00 0.00 C ATOM 515 NE2 HIS A 32 5.942 -8.527 4.318 1.00 0.00 N ATOM 0 H HIS A 32 1.759 -11.247 3.563 1.00 0.00 H new ATOM 0 HA HIS A 32 0.587 -8.690 2.990 1.00 0.00 H new ATOM 0 HB2 HIS A 32 2.178 -7.190 3.806 1.00 0.00 H new ATOM 0 HB3 HIS A 32 1.809 -8.218 5.176 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.842 -6.837 3.481 1.00 0.00 H new ATOM 0 HE1 HIS A 32 6.204 -10.405 5.282 1.00 0.00 H new ATOM 0 HE2 HIS A 32 6.911 -8.256 4.148 1.00 0.00 H new ATOM 524 N LEU A 33 2.395 -8.483 1.083 1.00 0.00 N ATOM 525 CA LEU A 33 3.174 -8.572 -0.171 1.00 0.00 C ATOM 526 C LEU A 33 4.696 -8.609 0.108 1.00 0.00 C ATOM 527 O LEU A 33 5.147 -8.010 1.076 1.00 0.00 O ATOM 528 CB LEU A 33 2.809 -7.371 -1.080 1.00 0.00 C ATOM 529 CG LEU A 33 1.394 -7.427 -1.721 1.00 0.00 C ATOM 530 CD1 LEU A 33 0.952 -6.038 -2.197 1.00 0.00 C ATOM 531 CD2 LEU A 33 1.349 -8.455 -2.883 1.00 0.00 C ATOM 0 H LEU A 33 1.914 -7.592 1.203 1.00 0.00 H new ATOM 0 HA LEU A 33 2.920 -9.503 -0.678 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.888 -6.456 -0.493 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.549 -7.303 -1.878 1.00 0.00 H new ATOM 0 HG LEU A 33 0.692 -7.758 -0.956 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.041 -6.105 -2.642 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.925 -5.354 -1.349 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.658 -5.666 -2.940 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.348 -8.474 -3.313 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.068 -8.169 -3.650 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.599 -9.445 -2.503 1.00 0.00 H new ATOM 543 N PRO A 34 5.511 -9.280 -0.770 1.00 0.00 N ATOM 544 CA PRO A 34 6.968 -9.469 -0.540 1.00 0.00 C ATOM 545 C PRO A 34 7.724 -8.132 -0.412 1.00 0.00 C ATOM 546 O PRO A 34 8.625 -7.982 0.413 1.00 0.00 O ATOM 547 CB PRO A 34 7.446 -10.261 -1.793 1.00 0.00 C ATOM 548 CG PRO A 34 6.203 -10.810 -2.418 1.00 0.00 C ATOM 549 CD PRO A 34 5.080 -9.872 -2.064 1.00 0.00 C ATOM 0 HA PRO A 34 7.163 -9.989 0.398 1.00 0.00 H new ATOM 0 HB2 PRO A 34 7.980 -9.612 -2.487 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.131 -11.061 -1.513 1.00 0.00 H new ATOM 0 HG2 PRO A 34 6.316 -10.885 -3.500 1.00 0.00 H new ATOM 0 HG3 PRO A 34 5.997 -11.815 -2.049 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.941 -9.107 -2.828 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.132 -10.401 -1.967 1.00 0.00 H new ATOM 557 N ASN A 35 7.303 -7.169 -1.233 1.00 0.00 N ATOM 558 CA ASN A 35 7.913 -5.829 -1.330 1.00 0.00 C ATOM 559 C ASN A 35 7.039 -4.761 -0.635 1.00 0.00 C ATOM 560 O ASN A 35 7.222 -3.561 -0.878 1.00 0.00 O ATOM 561 CB ASN A 35 8.120 -5.484 -2.830 1.00 0.00 C ATOM 562 CG ASN A 35 6.816 -5.441 -3.645 1.00 0.00 C ATOM 563 OD1 ASN A 35 5.838 -6.147 -3.360 1.00 0.00 O ATOM 564 ND2 ASN A 35 6.784 -4.610 -4.656 1.00 0.00 N ATOM 0 H ASN A 35 6.512 -7.295 -1.865 1.00 0.00 H new ATOM 0 HA ASN A 35 8.875 -5.835 -0.818 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.616 -4.516 -2.905 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.790 -6.221 -3.273 1.00 0.00 H new ATOM 0 HD21 ASN A 35 5.942 -4.534 -5.227 1.00 0.00 H new ATOM 0 HD22 ASN A 35 7.601 -4.038 -4.872 1.00 0.00 H new ATOM 571 N ALA A 36 6.083 -5.211 0.214 1.00 0.00 N ATOM 572 CA ALA A 36 5.261 -4.307 1.051 1.00 0.00 C ATOM 573 C ALA A 36 6.000 -3.950 2.354 1.00 0.00 C ATOM 574 O ALA A 36 6.383 -4.839 3.127 1.00 0.00 O ATOM 575 CB ALA A 36 3.882 -4.913 1.366 1.00 0.00 C ATOM 0 H ALA A 36 5.863 -6.199 0.336 1.00 0.00 H new ATOM 0 HA ALA A 36 5.097 -3.395 0.477 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.311 -4.218 1.982 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.345 -5.099 0.436 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.012 -5.852 1.904 1.00 0.00 H new ATOM 581 N THR A 37 6.196 -2.641 2.569 1.00 0.00 N ATOM 582 CA THR A 37 6.810 -2.087 3.782 1.00 0.00 C ATOM 583 C THR A 37 5.733 -1.914 4.868 1.00 0.00 C ATOM 584 O THR A 37 4.647 -1.407 4.576 1.00 0.00 O ATOM 585 CB THR A 37 7.467 -0.705 3.449 1.00 0.00 C ATOM 586 OG1 THR A 37 8.404 -0.861 2.369 1.00 0.00 O ATOM 587 CG2 THR A 37 8.178 -0.069 4.660 1.00 0.00 C ATOM 0 H THR A 37 5.927 -1.926 1.893 1.00 0.00 H new ATOM 0 HA THR A 37 7.579 -2.767 4.149 1.00 0.00 H new ATOM 0 HB THR A 37 6.660 -0.031 3.161 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.827 0.002 2.176 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.613 0.886 4.366 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.457 0.092 5.462 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.967 -0.735 5.010 1.00 0.00 H new ATOM 595 N LEU A 38 6.019 -2.352 6.108 1.00 0.00 N ATOM 596 CA LEU A 38 5.080 -2.194 7.231 1.00 0.00 C ATOM 597 C LEU A 38 5.062 -0.744 7.729 1.00 0.00 C ATOM 598 O LEU A 38 6.013 -0.280 8.382 1.00 0.00 O ATOM 599 CB LEU A 38 5.419 -3.138 8.411 1.00 0.00 C ATOM 600 CG LEU A 38 4.535 -2.960 9.697 1.00 0.00 C ATOM 601 CD1 LEU A 38 3.027 -3.093 9.378 1.00 0.00 C ATOM 602 CD2 LEU A 38 4.964 -3.939 10.813 1.00 0.00 C ATOM 0 H LEU A 38 6.892 -2.817 6.356 1.00 0.00 H new ATOM 0 HA LEU A 38 4.093 -2.461 6.853 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.326 -4.168 8.067 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.463 -2.987 8.686 1.00 0.00 H new ATOM 0 HG LEU A 38 4.698 -1.947 10.065 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.449 -2.964 10.293 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.739 -2.329 8.656 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.829 -4.080 8.960 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.333 -3.791 11.689 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.857 -4.964 10.458 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.005 -3.754 11.079 1.00 0.00 H new ATOM 614 N ILE A 39 3.980 -0.039 7.393 1.00 0.00 N ATOM 615 CA ILE A 39 3.657 1.285 7.947 1.00 0.00 C ATOM 616 C ILE A 39 2.163 1.292 8.281 1.00 0.00 C ATOM 617 O ILE A 39 1.362 0.709 7.561 1.00 0.00 O ATOM 618 CB ILE A 39 3.997 2.455 6.941 1.00 0.00 C ATOM 619 CG1 ILE A 39 5.524 2.457 6.591 1.00 0.00 C ATOM 620 CG2 ILE A 39 3.554 3.836 7.495 1.00 0.00 C ATOM 621 CD1 ILE A 39 5.955 3.452 5.527 1.00 0.00 C ATOM 0 H ILE A 39 3.291 -0.373 6.719 1.00 0.00 H new ATOM 0 HA ILE A 39 4.262 1.458 8.837 1.00 0.00 H new ATOM 0 HB ILE A 39 3.433 2.276 6.025 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.086 2.661 7.502 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.804 1.456 6.261 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.805 4.615 6.775 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.477 3.832 7.664 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.068 4.033 8.436 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.029 3.368 5.364 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.429 3.240 4.596 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.716 4.463 5.856 1.00 0.00 H new ATOM 633 N SER A 40 1.784 1.924 9.382 1.00 0.00 N ATOM 634 CA SER A 40 0.369 2.077 9.730 1.00 0.00 C ATOM 635 C SER A 40 -0.185 3.358 9.093 1.00 0.00 C ATOM 636 O SER A 40 0.507 4.380 9.046 1.00 0.00 O ATOM 637 CB SER A 40 0.186 2.074 11.250 1.00 0.00 C ATOM 638 OG SER A 40 0.633 0.843 11.803 1.00 0.00 O ATOM 0 H SER A 40 2.431 2.340 10.052 1.00 0.00 H new ATOM 0 HA SER A 40 -0.194 1.231 9.335 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.743 2.901 11.691 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.864 2.230 11.496 1.00 0.00 H new ATOM 0 HG SER A 40 0.511 0.858 12.775 1.00 0.00 H new ATOM 644 N VAL A 41 -1.430 3.271 8.593 1.00 0.00 N ATOM 645 CA VAL A 41 -2.138 4.391 7.935 1.00 0.00 C ATOM 646 C VAL A 41 -2.214 5.656 8.829 1.00 0.00 C ATOM 647 O VAL A 41 -2.201 6.776 8.318 1.00 0.00 O ATOM 648 CB VAL A 41 -3.585 3.934 7.493 1.00 0.00 C ATOM 649 CG1 VAL A 41 -4.413 3.418 8.696 1.00 0.00 C ATOM 650 CG2 VAL A 41 -4.339 5.051 6.721 1.00 0.00 C ATOM 0 H VAL A 41 -1.981 2.414 8.633 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.560 4.665 7.053 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.456 3.100 6.803 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.402 3.113 8.353 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.906 2.565 9.147 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.515 4.212 9.435 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.328 4.693 6.437 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.440 5.929 7.359 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.778 5.316 5.825 1.00 0.00 H new ATOM 660 N ASN A 42 -2.256 5.453 10.163 1.00 0.00 N ATOM 661 CA ASN A 42 -2.347 6.552 11.147 1.00 0.00 C ATOM 662 C ASN A 42 -0.984 7.236 11.377 1.00 0.00 C ATOM 663 O ASN A 42 -0.943 8.403 11.763 1.00 0.00 O ATOM 664 CB ASN A 42 -2.923 6.039 12.491 1.00 0.00 C ATOM 665 CG ASN A 42 -2.014 5.040 13.218 1.00 0.00 C ATOM 666 OD1 ASN A 42 -1.172 5.419 14.033 1.00 0.00 O ATOM 667 ND2 ASN A 42 -2.188 3.756 12.950 1.00 0.00 N ATOM 0 H ASN A 42 -2.228 4.526 10.587 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.025 7.298 10.733 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -3.106 6.891 13.145 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.888 5.568 12.305 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.618 3.055 13.423 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.892 3.468 12.271 1.00 0.00 H new ATOM 674 N ASP A 43 0.119 6.489 11.162 1.00 0.00 N ATOM 675 CA ASP A 43 1.496 7.006 11.311 1.00 0.00 C ATOM 676 C ASP A 43 1.881 7.851 10.080 1.00 0.00 C ATOM 677 O ASP A 43 2.447 7.336 9.109 1.00 0.00 O ATOM 678 CB ASP A 43 2.513 5.842 11.528 1.00 0.00 C ATOM 679 CG ASP A 43 2.413 5.170 12.910 1.00 0.00 C ATOM 680 OD1 ASP A 43 1.472 4.385 13.137 1.00 0.00 O ATOM 681 OD2 ASP A 43 3.276 5.420 13.780 1.00 0.00 O ATOM 0 H ASP A 43 0.080 5.510 10.880 1.00 0.00 H new ATOM 0 HA ASP A 43 1.531 7.643 12.195 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.356 5.088 10.757 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.524 6.227 11.395 1.00 0.00 H new ATOM 686 N GLN A 44 1.526 9.156 10.115 1.00 0.00 N ATOM 687 CA GLN A 44 1.863 10.101 9.030 1.00 0.00 C ATOM 688 C GLN A 44 3.377 10.342 8.960 1.00 0.00 C ATOM 689 O GLN A 44 3.930 10.415 7.873 1.00 0.00 O ATOM 690 CB GLN A 44 1.103 11.461 9.183 1.00 0.00 C ATOM 691 CG GLN A 44 -0.306 11.498 8.559 1.00 0.00 C ATOM 692 CD GLN A 44 -1.307 10.552 9.221 1.00 0.00 C ATOM 693 OE1 GLN A 44 -2.012 10.924 10.159 1.00 0.00 O ATOM 694 NE2 GLN A 44 -1.386 9.326 8.735 1.00 0.00 N ATOM 0 H GLN A 44 1.006 9.577 10.885 1.00 0.00 H new ATOM 0 HA GLN A 44 1.539 9.642 8.096 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.019 11.695 10.244 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.705 12.248 8.729 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.691 12.516 8.618 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.230 11.247 7.501 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -0.789 9.046 7.957 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.044 8.659 9.138 1.00 0.00 H new ATOM 703 N GLU A 45 4.026 10.457 10.125 1.00 0.00 N ATOM 704 CA GLU A 45 5.476 10.744 10.213 1.00 0.00 C ATOM 705 C GLU A 45 6.342 9.553 9.748 1.00 0.00 C ATOM 706 O GLU A 45 7.421 9.760 9.209 1.00 0.00 O ATOM 707 CB GLU A 45 5.860 11.241 11.646 1.00 0.00 C ATOM 708 CG GLU A 45 5.226 10.464 12.824 1.00 0.00 C ATOM 709 CD GLU A 45 5.757 9.036 12.995 1.00 0.00 C ATOM 710 OE1 GLU A 45 6.961 8.880 13.301 1.00 0.00 O ATOM 711 OE2 GLU A 45 4.994 8.072 12.771 1.00 0.00 O ATOM 0 H GLU A 45 3.571 10.356 11.032 1.00 0.00 H new ATOM 0 HA GLU A 45 5.693 11.555 9.517 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.944 11.194 11.747 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.577 12.290 11.734 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.402 11.018 13.746 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.147 10.423 12.678 1.00 0.00 H new ATOM 718 N LYS A 46 5.853 8.314 9.963 1.00 0.00 N ATOM 719 CA LYS A 46 6.530 7.076 9.507 1.00 0.00 C ATOM 720 C LYS A 46 6.331 6.888 7.998 1.00 0.00 C ATOM 721 O LYS A 46 7.249 6.466 7.280 1.00 0.00 O ATOM 722 CB LYS A 46 5.981 5.843 10.283 1.00 0.00 C ATOM 723 CG LYS A 46 6.501 4.429 9.858 1.00 0.00 C ATOM 724 CD LYS A 46 7.985 4.122 10.225 1.00 0.00 C ATOM 725 CE LYS A 46 9.012 4.658 9.212 1.00 0.00 C ATOM 726 NZ LYS A 46 10.414 4.454 9.665 1.00 0.00 N ATOM 0 H LYS A 46 4.978 8.141 10.457 1.00 0.00 H new ATOM 0 HA LYS A 46 7.597 7.167 9.709 1.00 0.00 H new ATOM 0 HB2 LYS A 46 6.210 5.982 11.340 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.895 5.844 10.190 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.867 3.673 10.321 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.383 4.327 8.779 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.201 4.550 11.204 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.109 3.043 10.314 1.00 0.00 H new ATOM 0 HE2 LYS A 46 8.867 4.160 8.253 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.837 5.721 9.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.036 5.139 9.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.470 4.593 10.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.718 3.488 9.429 1.00 0.00 H new ATOM 740 N LEU A 47 5.127 7.223 7.525 1.00 0.00 N ATOM 741 CA LEU A 47 4.771 7.084 6.106 1.00 0.00 C ATOM 742 C LEU A 47 5.558 8.096 5.258 1.00 0.00 C ATOM 743 O LEU A 47 6.155 7.750 4.236 1.00 0.00 O ATOM 744 CB LEU A 47 3.250 7.275 5.932 1.00 0.00 C ATOM 745 CG LEU A 47 2.666 6.950 4.525 1.00 0.00 C ATOM 746 CD1 LEU A 47 3.006 5.507 4.079 1.00 0.00 C ATOM 747 CD2 LEU A 47 1.145 7.179 4.518 1.00 0.00 C ATOM 0 H LEU A 47 4.376 7.595 8.107 1.00 0.00 H new ATOM 0 HA LEU A 47 5.035 6.084 5.763 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.741 6.649 6.665 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.006 8.310 6.172 1.00 0.00 H new ATOM 0 HG LEU A 47 3.130 7.626 3.807 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.580 5.321 3.093 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.088 5.385 4.036 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.589 4.797 4.794 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.747 6.949 3.530 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.676 6.531 5.258 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.933 8.220 4.761 1.00 0.00 H new ATOM 759 N ALA A 48 5.577 9.337 5.752 1.00 0.00 N ATOM 760 CA ALA A 48 6.294 10.458 5.142 1.00 0.00 C ATOM 761 C ALA A 48 7.811 10.282 5.277 1.00 0.00 C ATOM 762 O ALA A 48 8.554 10.764 4.427 1.00 0.00 O ATOM 763 CB ALA A 48 5.833 11.766 5.790 1.00 0.00 C ATOM 0 H ALA A 48 5.083 9.595 6.606 1.00 0.00 H new ATOM 0 HA ALA A 48 6.066 10.488 4.077 1.00 0.00 H new ATOM 0 HB1 ALA A 48 6.365 12.603 5.338 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.761 11.891 5.635 1.00 0.00 H new ATOM 0 HB3 ALA A 48 6.044 11.737 6.859 1.00 0.00 H new ATOM 769 N ASP A 49 8.251 9.578 6.348 1.00 0.00 N ATOM 770 CA ASP A 49 9.670 9.211 6.553 1.00 0.00 C ATOM 771 C ASP A 49 10.163 8.349 5.389 1.00 0.00 C ATOM 772 O ASP A 49 11.182 8.664 4.772 1.00 0.00 O ATOM 773 CB ASP A 49 9.861 8.437 7.888 1.00 0.00 C ATOM 774 CG ASP A 49 11.278 7.865 8.084 1.00 0.00 C ATOM 775 OD1 ASP A 49 12.197 8.642 8.381 1.00 0.00 O ATOM 776 OD2 ASP A 49 11.483 6.639 7.914 1.00 0.00 O ATOM 0 H ASP A 49 7.633 9.250 7.091 1.00 0.00 H new ATOM 0 HA ASP A 49 10.252 10.132 6.599 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.632 9.104 8.719 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.142 7.619 7.928 1.00 0.00 H new ATOM 781 N PHE A 50 9.407 7.273 5.104 1.00 0.00 N ATOM 782 CA PHE A 50 9.718 6.321 4.022 1.00 0.00 C ATOM 783 C PHE A 50 9.807 7.044 2.673 1.00 0.00 C ATOM 784 O PHE A 50 10.769 6.866 1.929 1.00 0.00 O ATOM 785 CB PHE A 50 8.646 5.202 3.966 1.00 0.00 C ATOM 786 CG PHE A 50 8.910 4.131 2.898 1.00 0.00 C ATOM 787 CD1 PHE A 50 9.864 3.137 3.118 1.00 0.00 C ATOM 788 CD2 PHE A 50 8.233 4.137 1.674 1.00 0.00 C ATOM 789 CE1 PHE A 50 10.130 2.181 2.154 1.00 0.00 C ATOM 790 CE2 PHE A 50 8.505 3.183 0.711 1.00 0.00 C ATOM 791 CZ PHE A 50 9.450 2.205 0.950 1.00 0.00 C ATOM 0 H PHE A 50 8.559 7.038 5.620 1.00 0.00 H new ATOM 0 HA PHE A 50 10.687 5.867 4.231 1.00 0.00 H new ATOM 0 HB2 PHE A 50 8.589 4.720 4.942 1.00 0.00 H new ATOM 0 HB3 PHE A 50 7.673 5.655 3.777 1.00 0.00 H new ATOM 0 HD1 PHE A 50 10.402 3.114 4.054 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.489 4.896 1.479 1.00 0.00 H new ATOM 0 HE1 PHE A 50 10.869 1.416 2.342 1.00 0.00 H new ATOM 0 HE2 PHE A 50 7.977 3.203 -0.231 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.658 1.459 0.197 1.00 0.00 H new ATOM 801 N LEU A 51 8.797 7.885 2.396 1.00 0.00 N ATOM 802 CA LEU A 51 8.712 8.669 1.151 1.00 0.00 C ATOM 803 C LEU A 51 9.873 9.687 1.048 1.00 0.00 C ATOM 804 O LEU A 51 10.383 9.935 -0.046 1.00 0.00 O ATOM 805 CB LEU A 51 7.338 9.378 1.063 1.00 0.00 C ATOM 806 CG LEU A 51 6.086 8.441 1.094 1.00 0.00 C ATOM 807 CD1 LEU A 51 4.777 9.254 1.094 1.00 0.00 C ATOM 808 CD2 LEU A 51 6.098 7.423 -0.068 1.00 0.00 C ATOM 0 H LEU A 51 8.014 8.041 3.031 1.00 0.00 H new ATOM 0 HA LEU A 51 8.805 7.986 0.307 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.261 10.084 1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.309 9.961 0.143 1.00 0.00 H new ATOM 0 HG LEU A 51 6.136 7.877 2.025 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.926 8.573 1.116 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.749 9.898 1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.729 9.866 0.193 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.211 6.792 -0.008 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.101 7.956 -1.019 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.991 6.801 0.002 1.00 0.00 H new ATOM 820 N SER A 52 10.301 10.214 2.210 1.00 0.00 N ATOM 821 CA SER A 52 11.387 11.209 2.316 1.00 0.00 C ATOM 822 C SER A 52 12.770 10.581 2.062 1.00 0.00 C ATOM 823 O SER A 52 13.673 11.272 1.569 1.00 0.00 O ATOM 824 CB SER A 52 11.361 11.873 3.711 1.00 0.00 C ATOM 825 OG SER A 52 12.340 12.896 3.838 1.00 0.00 O ATOM 0 H SER A 52 9.899 9.959 3.112 1.00 0.00 H new ATOM 0 HA SER A 52 11.219 11.962 1.546 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.372 12.294 3.892 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.529 11.115 4.476 1.00 0.00 H new ATOM 0 HG SER A 52 12.287 13.290 4.734 1.00 0.00 H new ATOM 831 N GLN A 53 12.922 9.272 2.412 1.00 0.00 N ATOM 832 CA GLN A 53 14.200 8.520 2.256 1.00 0.00 C ATOM 833 C GLN A 53 14.732 8.626 0.816 1.00 0.00 C ATOM 834 O GLN A 53 15.941 8.743 0.591 1.00 0.00 O ATOM 835 CB GLN A 53 14.016 7.024 2.642 1.00 0.00 C ATOM 836 CG GLN A 53 13.629 6.774 4.113 1.00 0.00 C ATOM 837 CD GLN A 53 14.641 7.321 5.126 1.00 0.00 C ATOM 838 OE1 GLN A 53 15.845 7.356 4.868 1.00 0.00 O ATOM 839 NE2 GLN A 53 14.164 7.762 6.280 1.00 0.00 N ATOM 0 H GLN A 53 12.167 8.712 2.808 1.00 0.00 H new ATOM 0 HA GLN A 53 14.929 8.969 2.931 1.00 0.00 H new ATOM 0 HB2 GLN A 53 13.248 6.591 2.001 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.944 6.493 2.431 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.657 7.229 4.304 1.00 0.00 H new ATOM 0 HG3 GLN A 53 13.516 5.701 4.271 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.162 7.721 6.467 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.798 8.143 6.982 1.00 0.00 H new ATOM 848 N HIS A 54 13.789 8.585 -0.139 1.00 0.00 N ATOM 849 CA HIS A 54 14.042 8.828 -1.562 1.00 0.00 C ATOM 850 C HIS A 54 12.810 9.518 -2.166 1.00 0.00 C ATOM 851 O HIS A 54 11.816 8.884 -2.480 1.00 0.00 O ATOM 852 CB HIS A 54 14.398 7.518 -2.337 1.00 0.00 C ATOM 853 CG HIS A 54 15.817 7.049 -2.137 1.00 0.00 C ATOM 854 ND1 HIS A 54 16.156 5.818 -1.614 1.00 0.00 N ATOM 855 CD2 HIS A 54 16.992 7.676 -2.391 1.00 0.00 C ATOM 856 CE1 HIS A 54 17.466 5.710 -1.561 1.00 0.00 C ATOM 857 NE2 HIS A 54 17.998 6.824 -2.022 1.00 0.00 N ATOM 0 H HIS A 54 12.811 8.378 0.064 1.00 0.00 H new ATOM 0 HA HIS A 54 14.914 9.475 -1.658 1.00 0.00 H new ATOM 0 HB2 HIS A 54 13.718 6.727 -2.022 1.00 0.00 H new ATOM 0 HB3 HIS A 54 14.227 7.681 -3.401 1.00 0.00 H new ATOM 0 HD2 HIS A 54 17.112 8.665 -2.808 1.00 0.00 H new ATOM 0 HE1 HIS A 54 18.014 4.852 -1.200 1.00 0.00 H new ATOM 0 HE2 HIS A 54 18.997 7.020 -2.092 1.00 0.00 H new ATOM 866 N LYS A 55 12.865 10.840 -2.257 1.00 0.00 N ATOM 867 CA LYS A 55 11.848 11.657 -2.933 1.00 0.00 C ATOM 868 C LYS A 55 12.044 11.586 -4.459 1.00 0.00 C ATOM 869 O LYS A 55 12.362 12.586 -5.120 1.00 0.00 O ATOM 870 CB LYS A 55 11.915 13.116 -2.402 1.00 0.00 C ATOM 871 CG LYS A 55 11.238 13.319 -1.032 1.00 0.00 C ATOM 872 CD LYS A 55 9.699 13.100 -1.077 1.00 0.00 C ATOM 873 CE LYS A 55 8.919 14.211 -1.827 1.00 0.00 C ATOM 874 NZ LYS A 55 9.112 14.190 -3.305 1.00 0.00 N ATOM 0 H LYS A 55 13.626 11.390 -1.859 1.00 0.00 H new ATOM 0 HA LYS A 55 10.853 11.269 -2.715 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.960 13.416 -2.327 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.445 13.778 -3.129 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.677 12.630 -0.310 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.446 14.328 -0.676 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.494 12.142 -1.555 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.323 13.034 -0.056 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.856 14.107 -1.607 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.230 15.183 -1.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.197 14.341 -3.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.772 14.945 -3.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.501 13.269 -3.591 1.00 0.00 H new ATOM 888 N ASP A 56 11.868 10.363 -4.993 1.00 0.00 N ATOM 889 CA ASP A 56 12.116 10.053 -6.412 1.00 0.00 C ATOM 890 C ASP A 56 11.472 8.720 -6.838 1.00 0.00 C ATOM 891 O ASP A 56 11.011 8.607 -7.981 1.00 0.00 O ATOM 892 CB ASP A 56 13.645 10.038 -6.724 1.00 0.00 C ATOM 893 CG ASP A 56 14.484 9.163 -5.763 1.00 0.00 C ATOM 894 OD1 ASP A 56 14.495 7.923 -5.907 1.00 0.00 O ATOM 895 OD2 ASP A 56 15.143 9.714 -4.855 1.00 0.00 O ATOM 0 H ASP A 56 11.549 9.560 -4.450 1.00 0.00 H new ATOM 0 HA ASP A 56 11.646 10.847 -6.993 1.00 0.00 H new ATOM 0 HB2 ASP A 56 13.792 9.681 -7.743 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.021 11.060 -6.687 1.00 0.00 H new ATOM 900 N LYS A 57 11.425 7.714 -5.934 1.00 0.00 N ATOM 901 CA LYS A 57 10.997 6.341 -6.316 1.00 0.00 C ATOM 902 C LYS A 57 9.458 6.208 -6.299 1.00 0.00 C ATOM 903 O LYS A 57 8.750 7.029 -5.689 1.00 0.00 O ATOM 904 CB LYS A 57 11.648 5.229 -5.423 1.00 0.00 C ATOM 905 CG LYS A 57 10.959 4.952 -4.061 1.00 0.00 C ATOM 906 CD LYS A 57 11.224 6.050 -3.037 1.00 0.00 C ATOM 907 CE LYS A 57 10.398 5.937 -1.758 1.00 0.00 C ATOM 908 NZ LYS A 57 10.847 6.909 -0.743 1.00 0.00 N ATOM 0 H LYS A 57 11.673 7.820 -4.950 1.00 0.00 H new ATOM 0 HA LYS A 57 11.354 6.186 -7.334 1.00 0.00 H new ATOM 0 HB2 LYS A 57 11.666 4.300 -5.993 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.685 5.507 -5.232 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.884 4.855 -4.215 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.312 3.999 -3.666 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.282 6.036 -2.774 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.024 7.016 -3.499 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.346 6.106 -1.986 1.00 0.00 H new ATOM 0 HE3 LYS A 57 10.479 4.926 -1.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.388 6.699 0.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 11.879 6.844 -0.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.591 7.870 -1.046 1.00 0.00 H new ATOM 922 N LYS A 58 8.969 5.154 -6.963 1.00 0.00 N ATOM 923 CA LYS A 58 7.542 4.899 -7.164 1.00 0.00 C ATOM 924 C LYS A 58 7.001 3.997 -6.040 1.00 0.00 C ATOM 925 O LYS A 58 7.472 2.867 -5.875 1.00 0.00 O ATOM 926 CB LYS A 58 7.346 4.239 -8.539 1.00 0.00 C ATOM 927 CG LYS A 58 5.895 4.258 -9.040 1.00 0.00 C ATOM 928 CD LYS A 58 5.806 3.957 -10.544 1.00 0.00 C ATOM 929 CE LYS A 58 6.403 2.588 -10.923 1.00 0.00 C ATOM 930 NZ LYS A 58 6.270 2.302 -12.375 1.00 0.00 N ATOM 0 H LYS A 58 9.567 4.442 -7.383 1.00 0.00 H new ATOM 0 HA LYS A 58 6.988 5.837 -7.134 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.978 4.747 -9.268 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.688 3.205 -8.486 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.310 3.523 -8.487 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.454 5.234 -8.838 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.761 3.989 -10.854 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.327 4.739 -11.096 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.456 2.563 -10.644 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.904 1.805 -10.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.575 1.541 -12.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.951 3.159 -12.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.191 2.005 -12.756 1.00 0.00 H new ATOM 944 N VAL A 59 6.025 4.505 -5.266 1.00 0.00 N ATOM 945 CA VAL A 59 5.456 3.780 -4.110 1.00 0.00 C ATOM 946 C VAL A 59 3.961 3.520 -4.306 1.00 0.00 C ATOM 947 O VAL A 59 3.233 4.384 -4.806 1.00 0.00 O ATOM 948 CB VAL A 59 5.689 4.574 -2.772 1.00 0.00 C ATOM 949 CG1 VAL A 59 5.097 3.846 -1.542 1.00 0.00 C ATOM 950 CG2 VAL A 59 7.189 4.843 -2.562 1.00 0.00 C ATOM 0 H VAL A 59 5.609 5.423 -5.421 1.00 0.00 H new ATOM 0 HA VAL A 59 5.972 2.822 -4.041 1.00 0.00 H new ATOM 0 HB VAL A 59 5.162 5.523 -2.868 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.285 4.436 -0.645 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.022 3.721 -1.676 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.566 2.868 -1.438 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.333 5.393 -1.632 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.725 3.895 -2.510 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.573 5.432 -3.395 1.00 0.00 H new ATOM 960 N LEU A 60 3.521 2.317 -3.893 1.00 0.00 N ATOM 961 CA LEU A 60 2.112 1.902 -3.944 1.00 0.00 C ATOM 962 C LEU A 60 1.600 1.578 -2.527 1.00 0.00 C ATOM 963 O LEU A 60 1.923 0.525 -1.976 1.00 0.00 O ATOM 964 CB LEU A 60 1.976 0.656 -4.848 1.00 0.00 C ATOM 965 CG LEU A 60 0.531 0.111 -5.042 1.00 0.00 C ATOM 966 CD1 LEU A 60 -0.334 1.099 -5.847 1.00 0.00 C ATOM 967 CD2 LEU A 60 0.545 -1.283 -5.692 1.00 0.00 C ATOM 0 H LEU A 60 4.141 1.602 -3.512 1.00 0.00 H new ATOM 0 HA LEU A 60 1.515 2.717 -4.354 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.388 0.896 -5.828 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.591 -0.141 -4.430 1.00 0.00 H new ATOM 0 HG LEU A 60 0.079 0.008 -4.055 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.338 0.691 -5.966 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.390 2.050 -5.317 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.112 1.257 -6.829 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.478 -1.638 -5.815 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.028 -1.225 -6.667 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.095 -1.976 -5.055 1.00 0.00 H new ATOM 979 N LEU A 61 0.810 2.484 -1.932 1.00 0.00 N ATOM 980 CA LEU A 61 0.202 2.259 -0.606 1.00 0.00 C ATOM 981 C LEU A 61 -1.030 1.343 -0.763 1.00 0.00 C ATOM 982 O LEU A 61 -2.115 1.804 -1.106 1.00 0.00 O ATOM 983 CB LEU A 61 -0.193 3.622 0.042 1.00 0.00 C ATOM 984 CG LEU A 61 0.913 4.729 0.059 1.00 0.00 C ATOM 985 CD1 LEU A 61 0.428 6.001 0.784 1.00 0.00 C ATOM 986 CD2 LEU A 61 2.227 4.218 0.680 1.00 0.00 C ATOM 0 H LEU A 61 0.575 3.385 -2.348 1.00 0.00 H new ATOM 0 HA LEU A 61 0.922 1.772 0.052 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.061 4.014 -0.488 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.505 3.435 1.069 1.00 0.00 H new ATOM 0 HG LEU A 61 1.116 4.987 -0.980 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.221 6.749 0.777 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.450 6.398 0.274 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.169 5.756 1.814 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.968 5.017 0.672 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.045 3.902 1.707 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.599 3.373 0.100 1.00 0.00 H new ATOM 998 N HIS A 62 -0.852 0.035 -0.538 1.00 0.00 N ATOM 999 CA HIS A 62 -1.941 -0.944 -0.709 1.00 0.00 C ATOM 1000 C HIS A 62 -2.660 -1.167 0.628 1.00 0.00 C ATOM 1001 O HIS A 62 -2.042 -1.097 1.701 1.00 0.00 O ATOM 1002 CB HIS A 62 -1.407 -2.287 -1.305 1.00 0.00 C ATOM 1003 CG HIS A 62 -1.016 -3.349 -0.297 1.00 0.00 C ATOM 1004 ND1 HIS A 62 -1.893 -4.312 0.144 1.00 0.00 N ATOM 1005 CD2 HIS A 62 0.157 -3.612 0.320 1.00 0.00 C ATOM 1006 CE1 HIS A 62 -1.276 -5.116 0.979 1.00 0.00 C ATOM 1007 NE2 HIS A 62 -0.032 -4.717 1.098 1.00 0.00 N ATOM 0 H HIS A 62 0.033 -0.373 -0.237 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.661 -0.543 -1.423 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.173 -2.701 -1.961 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.539 -2.067 -1.927 1.00 0.00 H new ATOM 0 HD2 HIS A 62 1.074 -3.051 0.217 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.718 -5.963 1.483 1.00 0.00 H new ATOM 0 HE2 HIS A 62 0.679 -5.161 1.679 1.00 0.00 H new ATOM 1016 N CYS A 63 -3.958 -1.467 0.542 1.00 0.00 N ATOM 1017 CA CYS A 63 -4.820 -1.706 1.718 1.00 0.00 C ATOM 1018 C CYS A 63 -5.635 -2.991 1.539 1.00 0.00 C ATOM 1019 O CYS A 63 -5.795 -3.471 0.414 1.00 0.00 O ATOM 1020 CB CYS A 63 -5.747 -0.497 1.933 1.00 0.00 C ATOM 1021 SG CYS A 63 -6.972 -0.690 3.240 1.00 0.00 S ATOM 0 H CYS A 63 -4.450 -1.553 -0.347 1.00 0.00 H new ATOM 0 HA CYS A 63 -4.191 -1.830 2.600 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -5.133 0.375 2.159 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.267 -0.288 0.998 1.00 0.00 H new ATOM 0 HG CYS A 63 -6.388 -1.108 4.324 1.00 0.00 H new ATOM 1027 N ARG A 64 -6.070 -3.565 2.679 1.00 0.00 N ATOM 1028 CA ARG A 64 -6.970 -4.742 2.738 1.00 0.00 C ATOM 1029 C ARG A 64 -8.242 -4.552 1.887 1.00 0.00 C ATOM 1030 O ARG A 64 -8.671 -5.475 1.203 1.00 0.00 O ATOM 1031 CB ARG A 64 -7.328 -5.041 4.215 1.00 0.00 C ATOM 1032 CG ARG A 64 -8.392 -6.135 4.450 1.00 0.00 C ATOM 1033 CD ARG A 64 -8.505 -6.539 5.938 1.00 0.00 C ATOM 1034 NE ARG A 64 -9.863 -6.988 6.283 1.00 0.00 N ATOM 1035 CZ ARG A 64 -10.747 -6.295 7.031 1.00 0.00 C ATOM 1036 NH1 ARG A 64 -10.412 -5.138 7.597 1.00 0.00 N ATOM 1037 NH2 ARG A 64 -11.971 -6.765 7.205 1.00 0.00 N ATOM 0 H ARG A 64 -5.803 -3.220 3.601 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.441 -5.595 2.312 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.416 -5.332 4.736 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.678 -4.118 4.676 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.360 -5.777 4.099 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.142 -7.014 3.856 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.794 -7.336 6.153 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.232 -5.691 6.566 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.160 -7.897 5.928 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.473 -4.761 7.469 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.094 -4.629 8.159 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.244 -7.648 6.775 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.642 -6.244 7.770 1.00 0.00 H new ATOM 1051 N ALA A 65 -8.843 -3.356 1.944 1.00 0.00 N ATOM 1052 CA ALA A 65 -10.000 -3.007 1.097 1.00 0.00 C ATOM 1053 C ALA A 65 -9.596 -1.909 0.105 1.00 0.00 C ATOM 1054 O ALA A 65 -9.596 -2.123 -1.112 1.00 0.00 O ATOM 1055 CB ALA A 65 -11.194 -2.573 1.967 1.00 0.00 C ATOM 0 H ALA A 65 -8.548 -2.607 2.571 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.313 -3.884 0.530 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.038 -2.319 1.326 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.476 -3.390 2.632 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -10.914 -1.702 2.560 1.00 0.00 H new ATOM 1061 N GLY A 66 -9.206 -0.745 0.644 1.00 0.00 N ATOM 1062 CA GLY A 66 -8.817 0.410 -0.174 1.00 0.00 C ATOM 1063 C GLY A 66 -9.039 1.732 0.539 1.00 0.00 C ATOM 1064 O GLY A 66 -8.506 2.763 0.114 1.00 0.00 O ATOM 0 H GLY A 66 -9.152 -0.579 1.649 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.765 0.320 -0.446 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -9.388 0.402 -1.102 1.00 0.00 H new ATOM 1068 N ARG A 67 -9.844 1.694 1.623 1.00 0.00 N ATOM 1069 CA ARG A 67 -10.143 2.868 2.465 1.00 0.00 C ATOM 1070 C ARG A 67 -8.848 3.487 3.013 1.00 0.00 C ATOM 1071 O ARG A 67 -8.624 4.686 2.866 1.00 0.00 O ATOM 1072 CB ARG A 67 -11.107 2.457 3.621 1.00 0.00 C ATOM 1073 CG ARG A 67 -11.438 3.535 4.689 1.00 0.00 C ATOM 1074 CD ARG A 67 -12.158 4.787 4.130 1.00 0.00 C ATOM 1075 NE ARG A 67 -11.220 5.785 3.584 1.00 0.00 N ATOM 1076 CZ ARG A 67 -11.522 6.746 2.702 1.00 0.00 C ATOM 1077 NH1 ARG A 67 -12.726 6.812 2.139 1.00 0.00 N ATOM 1078 NH2 ARG A 67 -10.603 7.638 2.384 1.00 0.00 N ATOM 0 H ARG A 67 -10.306 0.841 1.939 1.00 0.00 H new ATOM 0 HA ARG A 67 -10.637 3.626 1.857 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -12.045 2.124 3.176 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -10.674 1.597 4.132 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -12.063 3.085 5.460 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -10.512 3.848 5.171 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -12.854 4.482 3.348 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -12.749 5.245 4.923 1.00 0.00 H new ATOM 0 HE ARG A 67 -10.254 5.739 3.907 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -13.439 6.122 2.377 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -12.936 7.552 1.469 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -9.677 7.590 2.809 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.819 8.376 1.714 1.00 0.00 H new ATOM 1092 N ARG A 68 -7.987 2.641 3.597 1.00 0.00 N ATOM 1093 CA ARG A 68 -6.728 3.088 4.233 1.00 0.00 C ATOM 1094 C ARG A 68 -5.653 3.411 3.191 1.00 0.00 C ATOM 1095 O ARG A 68 -4.731 4.168 3.472 1.00 0.00 O ATOM 1096 CB ARG A 68 -6.219 2.020 5.225 1.00 0.00 C ATOM 1097 CG ARG A 68 -7.277 1.571 6.252 1.00 0.00 C ATOM 1098 CD ARG A 68 -7.869 2.750 7.055 1.00 0.00 C ATOM 1099 NE ARG A 68 -8.946 2.329 7.973 1.00 0.00 N ATOM 1100 CZ ARG A 68 -9.915 3.133 8.459 1.00 0.00 C ATOM 1101 NH1 ARG A 68 -10.004 4.403 8.072 1.00 0.00 N ATOM 1102 NH2 ARG A 68 -10.797 2.650 9.320 1.00 0.00 N ATOM 0 H ARG A 68 -8.137 1.633 3.645 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.940 4.006 4.781 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.878 1.150 4.664 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.354 2.415 5.757 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.082 1.050 5.734 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.827 0.857 6.942 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.075 3.229 7.628 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.258 3.497 6.363 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.959 1.351 8.263 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.335 4.780 7.400 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.741 5.000 8.447 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.742 1.675 9.613 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -11.531 3.253 9.690 1.00 0.00 H new ATOM 1116 N ALA A 69 -5.778 2.800 2.002 1.00 0.00 N ATOM 1117 CA ALA A 69 -4.928 3.127 0.836 1.00 0.00 C ATOM 1118 C ALA A 69 -5.155 4.588 0.442 1.00 0.00 C ATOM 1119 O ALA A 69 -4.205 5.361 0.288 1.00 0.00 O ATOM 1120 CB ALA A 69 -5.238 2.190 -0.345 1.00 0.00 C ATOM 0 H ALA A 69 -6.465 2.069 1.818 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.881 2.985 1.104 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.602 2.448 -1.191 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.048 1.158 -0.050 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.284 2.299 -0.631 1.00 0.00 H new ATOM 1126 N LEU A 70 -6.445 4.944 0.331 1.00 0.00 N ATOM 1127 CA LEU A 70 -6.882 6.301 0.011 1.00 0.00 C ATOM 1128 C LEU A 70 -6.488 7.264 1.146 1.00 0.00 C ATOM 1129 O LEU A 70 -5.861 8.271 0.883 1.00 0.00 O ATOM 1130 CB LEU A 70 -8.416 6.334 -0.262 1.00 0.00 C ATOM 1131 CG LEU A 70 -9.021 7.704 -0.725 1.00 0.00 C ATOM 1132 CD1 LEU A 70 -8.331 8.232 -2.004 1.00 0.00 C ATOM 1133 CD2 LEU A 70 -10.552 7.603 -0.939 1.00 0.00 C ATOM 0 H LEU A 70 -7.215 4.289 0.463 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.381 6.630 -0.900 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -8.642 5.588 -1.024 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.930 6.026 0.648 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.834 8.419 0.076 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.779 9.183 -2.293 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.268 8.375 -1.811 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.460 7.511 -2.811 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.939 8.570 -1.260 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.764 6.856 -1.704 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -11.032 7.312 -0.004 1.00 0.00 H new ATOM 1145 N ASP A 71 -6.801 6.889 2.410 1.00 0.00 N ATOM 1146 CA ASP A 71 -6.525 7.712 3.621 1.00 0.00 C ATOM 1147 C ASP A 71 -5.051 8.128 3.707 1.00 0.00 C ATOM 1148 O ASP A 71 -4.730 9.321 3.850 1.00 0.00 O ATOM 1149 CB ASP A 71 -6.908 6.923 4.915 1.00 0.00 C ATOM 1150 CG ASP A 71 -8.417 6.814 5.165 1.00 0.00 C ATOM 1151 OD1 ASP A 71 -9.149 7.774 4.856 1.00 0.00 O ATOM 1152 OD2 ASP A 71 -8.877 5.780 5.698 1.00 0.00 O ATOM 0 H ASP A 71 -7.255 6.001 2.623 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.133 8.613 3.540 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -6.489 5.919 4.852 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -6.444 7.409 5.773 1.00 0.00 H new ATOM 1157 N ALA A 72 -4.178 7.118 3.621 1.00 0.00 N ATOM 1158 CA ALA A 72 -2.723 7.280 3.692 1.00 0.00 C ATOM 1159 C ALA A 72 -2.206 8.192 2.567 1.00 0.00 C ATOM 1160 O ALA A 72 -1.496 9.177 2.819 1.00 0.00 O ATOM 1161 CB ALA A 72 -2.058 5.896 3.623 1.00 0.00 C ATOM 0 H ALA A 72 -4.469 6.148 3.498 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.467 7.759 4.637 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.975 6.010 3.675 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.400 5.286 4.459 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.327 5.409 2.685 1.00 0.00 H new ATOM 1167 N ALA A 73 -2.612 7.872 1.327 1.00 0.00 N ATOM 1168 CA ALA A 73 -2.157 8.583 0.129 1.00 0.00 C ATOM 1169 C ALA A 73 -2.691 10.022 0.068 1.00 0.00 C ATOM 1170 O ALA A 73 -1.982 10.898 -0.431 1.00 0.00 O ATOM 1171 CB ALA A 73 -2.534 7.800 -1.130 1.00 0.00 C ATOM 0 H ALA A 73 -3.265 7.113 1.131 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.071 8.655 0.183 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.189 8.341 -2.012 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.065 6.817 -1.101 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.617 7.684 -1.176 1.00 0.00 H new ATOM 1177 N LYS A 74 -3.932 10.264 0.576 1.00 0.00 N ATOM 1178 CA LYS A 74 -4.525 11.623 0.591 1.00 0.00 C ATOM 1179 C LYS A 74 -3.650 12.523 1.432 1.00 0.00 C ATOM 1180 O LYS A 74 -3.099 13.475 0.906 1.00 0.00 O ATOM 1181 CB LYS A 74 -5.999 11.682 1.104 1.00 0.00 C ATOM 1182 CG LYS A 74 -7.039 10.966 0.202 1.00 0.00 C ATOM 1183 CD LYS A 74 -8.447 11.615 0.224 1.00 0.00 C ATOM 1184 CE LYS A 74 -8.514 12.912 -0.603 1.00 0.00 C ATOM 1185 NZ LYS A 74 -9.856 13.554 -0.554 1.00 0.00 N ATOM 0 H LYS A 74 -4.531 9.542 0.975 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.567 11.958 -0.445 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.039 11.240 2.099 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.290 12.727 1.208 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.670 10.958 -0.824 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.125 9.926 0.519 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.177 10.904 -0.163 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.727 11.831 1.255 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.766 13.613 -0.233 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.259 12.691 -1.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.847 14.422 -1.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.569 12.898 -0.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.092 13.791 0.431 1.00 0.00 H new ATOM 1199 N SER A 75 -3.457 12.127 2.709 1.00 0.00 N ATOM 1200 CA SER A 75 -2.676 12.890 3.704 1.00 0.00 C ATOM 1201 C SER A 75 -1.308 13.301 3.137 1.00 0.00 C ATOM 1202 O SER A 75 -0.921 14.461 3.224 1.00 0.00 O ATOM 1203 CB SER A 75 -2.482 12.047 4.987 1.00 0.00 C ATOM 1204 OG SER A 75 -3.720 11.549 5.467 1.00 0.00 O ATOM 0 H SER A 75 -3.844 11.259 3.081 1.00 0.00 H new ATOM 0 HA SER A 75 -3.231 13.796 3.947 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.808 11.215 4.780 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.009 12.656 5.757 1.00 0.00 H new ATOM 0 HG SER A 75 -3.971 10.751 4.957 1.00 0.00 H new ATOM 1210 N MET A 76 -0.633 12.337 2.484 1.00 0.00 N ATOM 1211 CA MET A 76 0.687 12.547 1.863 1.00 0.00 C ATOM 1212 C MET A 76 0.613 13.552 0.695 1.00 0.00 C ATOM 1213 O MET A 76 1.428 14.470 0.616 1.00 0.00 O ATOM 1214 CB MET A 76 1.269 11.200 1.387 1.00 0.00 C ATOM 1215 CG MET A 76 1.569 10.223 2.520 1.00 0.00 C ATOM 1216 SD MET A 76 2.756 10.902 3.708 1.00 0.00 S ATOM 1217 CE MET A 76 1.845 10.831 5.253 1.00 0.00 C ATOM 0 H MET A 76 -0.989 11.388 2.372 1.00 0.00 H new ATOM 0 HA MET A 76 1.349 12.973 2.617 1.00 0.00 H new ATOM 0 HB2 MET A 76 0.566 10.735 0.696 1.00 0.00 H new ATOM 0 HB3 MET A 76 2.187 11.388 0.830 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.643 9.972 3.037 1.00 0.00 H new ATOM 0 HG3 MET A 76 1.963 9.296 2.104 1.00 0.00 H new ATOM 0 HE1 MET A 76 1.745 11.836 5.663 1.00 0.00 H new ATOM 0 HE2 MET A 76 0.855 10.413 5.073 1.00 0.00 H new ATOM 0 HE3 MET A 76 2.381 10.201 5.963 1.00 0.00 H new ATOM 1227 N HIS A 77 -0.375 13.371 -0.199 1.00 0.00 N ATOM 1228 CA HIS A 77 -0.624 14.294 -1.333 1.00 0.00 C ATOM 1229 C HIS A 77 -0.923 15.734 -0.847 1.00 0.00 C ATOM 1230 O HIS A 77 -0.544 16.706 -1.511 1.00 0.00 O ATOM 1231 CB HIS A 77 -1.760 13.752 -2.249 1.00 0.00 C ATOM 1232 CG HIS A 77 -1.318 12.753 -3.304 1.00 0.00 C ATOM 1233 ND1 HIS A 77 -1.212 13.080 -4.640 1.00 0.00 N ATOM 1234 CD2 HIS A 77 -1.021 11.428 -3.236 1.00 0.00 C ATOM 1235 CE1 HIS A 77 -0.874 12.021 -5.333 1.00 0.00 C ATOM 1236 NE2 HIS A 77 -0.751 11.004 -4.509 1.00 0.00 N ATOM 0 H HIS A 77 -1.024 12.585 -0.161 1.00 0.00 H new ATOM 0 HA HIS A 77 0.289 14.343 -1.926 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -2.518 13.283 -1.622 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -2.237 14.596 -2.748 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -1.002 10.822 -2.342 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -0.722 11.989 -6.402 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -0.496 10.053 -4.775 1.00 0.00 H new ATOM 1245 N GLU A 78 -1.577 15.854 0.327 1.00 0.00 N ATOM 1246 CA GLU A 78 -1.881 17.150 0.958 1.00 0.00 C ATOM 1247 C GLU A 78 -0.591 17.792 1.513 1.00 0.00 C ATOM 1248 O GLU A 78 -0.441 19.015 1.486 1.00 0.00 O ATOM 1249 CB GLU A 78 -2.918 16.974 2.099 1.00 0.00 C ATOM 1250 CG GLU A 78 -4.194 16.193 1.721 1.00 0.00 C ATOM 1251 CD GLU A 78 -4.982 16.781 0.538 1.00 0.00 C ATOM 1252 OE1 GLU A 78 -5.482 17.920 0.652 1.00 0.00 O ATOM 1253 OE2 GLU A 78 -5.108 16.108 -0.512 1.00 0.00 O ATOM 0 H GLU A 78 -1.909 15.052 0.863 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.306 17.807 0.199 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.434 16.464 2.931 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.210 17.961 2.457 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.917 15.166 1.481 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.849 16.151 2.591 1.00 0.00 H new ATOM 1260 N LEU A 79 0.340 16.946 2.019 1.00 0.00 N ATOM 1261 CA LEU A 79 1.646 17.410 2.547 1.00 0.00 C ATOM 1262 C LEU A 79 2.564 17.882 1.406 1.00 0.00 C ATOM 1263 O LEU A 79 3.410 18.754 1.612 1.00 0.00 O ATOM 1264 CB LEU A 79 2.365 16.282 3.341 1.00 0.00 C ATOM 1265 CG LEU A 79 1.598 15.703 4.563 1.00 0.00 C ATOM 1266 CD1 LEU A 79 2.358 14.521 5.201 1.00 0.00 C ATOM 1267 CD2 LEU A 79 1.276 16.794 5.607 1.00 0.00 C ATOM 0 H LEU A 79 0.209 15.936 2.072 1.00 0.00 H new ATOM 0 HA LEU A 79 1.442 18.245 3.217 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.581 15.464 2.654 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.323 16.667 3.690 1.00 0.00 H new ATOM 0 HG LEU A 79 0.647 15.320 4.192 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.792 14.142 6.052 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.481 13.727 4.464 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.338 14.858 5.538 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.740 16.349 6.445 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.204 17.240 5.965 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.657 17.565 5.148 1.00 0.00 H new ATOM 1279 N GLY A 80 2.369 17.313 0.201 1.00 0.00 N ATOM 1280 CA GLY A 80 3.172 17.659 -0.980 1.00 0.00 C ATOM 1281 C GLY A 80 3.675 16.437 -1.743 1.00 0.00 C ATOM 1282 O GLY A 80 4.161 16.579 -2.867 1.00 0.00 O ATOM 0 H GLY A 80 1.655 16.606 0.023 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.574 18.277 -1.650 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.025 18.261 -0.668 1.00 0.00 H new ATOM 1286 N TYR A 81 3.563 15.236 -1.130 1.00 0.00 N ATOM 1287 CA TYR A 81 4.009 13.957 -1.747 1.00 0.00 C ATOM 1288 C TYR A 81 3.055 13.518 -2.878 1.00 0.00 C ATOM 1289 O TYR A 81 1.992 14.113 -3.072 1.00 0.00 O ATOM 1290 CB TYR A 81 4.091 12.835 -0.678 1.00 0.00 C ATOM 1291 CG TYR A 81 5.020 13.136 0.506 1.00 0.00 C ATOM 1292 CD1 TYR A 81 6.374 12.812 0.461 1.00 0.00 C ATOM 1293 CD2 TYR A 81 4.539 13.737 1.668 1.00 0.00 C ATOM 1294 CE1 TYR A 81 7.211 13.076 1.529 1.00 0.00 C ATOM 1295 CE2 TYR A 81 5.371 14.002 2.735 1.00 0.00 C ATOM 1296 CZ TYR A 81 6.707 13.671 2.661 1.00 0.00 C ATOM 1297 OH TYR A 81 7.537 13.936 3.729 1.00 0.00 O ATOM 0 H TYR A 81 3.164 15.122 -0.198 1.00 0.00 H new ATOM 0 HA TYR A 81 4.999 14.127 -2.171 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.088 12.645 -0.295 1.00 0.00 H new ATOM 0 HB3 TYR A 81 4.427 11.917 -1.161 1.00 0.00 H new ATOM 0 HD1 TYR A 81 6.778 12.346 -0.425 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.494 14.000 1.734 1.00 0.00 H new ATOM 0 HE1 TYR A 81 8.258 12.816 1.474 1.00 0.00 H new ATOM 0 HE2 TYR A 81 4.977 14.468 3.626 1.00 0.00 H new ATOM 0 HH TYR A 81 7.094 14.560 4.341 1.00 0.00 H new ATOM 1307 N THR A 82 3.441 12.458 -3.610 1.00 0.00 N ATOM 1308 CA THR A 82 2.623 11.863 -4.685 1.00 0.00 C ATOM 1309 C THR A 82 2.777 10.307 -4.729 1.00 0.00 C ATOM 1310 O THR A 82 3.206 9.754 -5.753 1.00 0.00 O ATOM 1311 CB THR A 82 2.990 12.484 -6.093 1.00 0.00 C ATOM 1312 OG1 THR A 82 4.418 12.551 -6.230 1.00 0.00 O ATOM 1313 CG2 THR A 82 2.383 13.883 -6.321 1.00 0.00 C ATOM 0 H THR A 82 4.335 11.986 -3.472 1.00 0.00 H new ATOM 0 HA THR A 82 1.582 12.097 -4.462 1.00 0.00 H new ATOM 0 HB THR A 82 2.559 11.828 -6.849 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.645 12.934 -7.103 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.674 14.250 -7.305 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.296 13.822 -6.263 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.749 14.568 -5.556 1.00 0.00 H new ATOM 1321 N PRO A 83 2.447 9.554 -3.619 1.00 0.00 N ATOM 1322 CA PRO A 83 2.390 8.075 -3.679 1.00 0.00 C ATOM 1323 C PRO A 83 1.085 7.578 -4.343 1.00 0.00 C ATOM 1324 O PRO A 83 0.034 8.225 -4.247 1.00 0.00 O ATOM 1325 CB PRO A 83 2.453 7.659 -2.190 1.00 0.00 C ATOM 1326 CG PRO A 83 1.777 8.785 -1.472 1.00 0.00 C ATOM 1327 CD PRO A 83 2.159 10.039 -2.233 1.00 0.00 C ATOM 0 HA PRO A 83 3.192 7.647 -4.280 1.00 0.00 H new ATOM 0 HB2 PRO A 83 1.942 6.712 -2.018 1.00 0.00 H new ATOM 0 HB3 PRO A 83 3.482 7.532 -1.854 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.696 8.649 -1.458 1.00 0.00 H new ATOM 0 HG3 PRO A 83 2.104 8.841 -0.434 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.351 10.770 -2.227 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.030 10.523 -1.791 1.00 0.00 H new ATOM 1335 N TYR A 84 1.182 6.438 -5.031 1.00 0.00 N ATOM 1336 CA TYR A 84 0.021 5.708 -5.574 1.00 0.00 C ATOM 1337 C TYR A 84 -0.649 4.927 -4.440 1.00 0.00 C ATOM 1338 O TYR A 84 -0.138 4.898 -3.311 1.00 0.00 O ATOM 1339 CB TYR A 84 0.474 4.752 -6.706 1.00 0.00 C ATOM 1340 CG TYR A 84 1.126 5.480 -7.889 1.00 0.00 C ATOM 1341 CD1 TYR A 84 2.481 5.837 -7.864 1.00 0.00 C ATOM 1342 CD2 TYR A 84 0.385 5.838 -9.012 1.00 0.00 C ATOM 1343 CE1 TYR A 84 3.057 6.527 -8.914 1.00 0.00 C ATOM 1344 CE2 TYR A 84 0.965 6.519 -10.061 1.00 0.00 C ATOM 1345 CZ TYR A 84 2.297 6.859 -10.009 1.00 0.00 C ATOM 1346 OH TYR A 84 2.864 7.546 -11.055 1.00 0.00 O ATOM 0 H TYR A 84 2.074 5.987 -5.232 1.00 0.00 H new ATOM 0 HA TYR A 84 -0.695 6.413 -5.996 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.180 4.028 -6.300 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.388 4.190 -7.065 1.00 0.00 H new ATOM 0 HD1 TYR A 84 3.085 5.568 -7.010 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -0.662 5.578 -9.062 1.00 0.00 H new ATOM 0 HE1 TYR A 84 4.100 6.804 -8.874 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.373 6.786 -10.924 1.00 0.00 H new ATOM 0 HH TYR A 84 2.190 7.700 -11.749 1.00 0.00 H new ATOM 1356 N TYR A 85 -1.789 4.304 -4.734 1.00 0.00 N ATOM 1357 CA TYR A 85 -2.518 3.512 -3.744 1.00 0.00 C ATOM 1358 C TYR A 85 -3.363 2.446 -4.436 1.00 0.00 C ATOM 1359 O TYR A 85 -3.940 2.691 -5.505 1.00 0.00 O ATOM 1360 CB TYR A 85 -3.372 4.413 -2.817 1.00 0.00 C ATOM 1361 CG TYR A 85 -4.416 5.296 -3.517 1.00 0.00 C ATOM 1362 CD1 TYR A 85 -4.038 6.479 -4.152 1.00 0.00 C ATOM 1363 CD2 TYR A 85 -5.768 4.948 -3.540 1.00 0.00 C ATOM 1364 CE1 TYR A 85 -4.961 7.280 -4.767 1.00 0.00 C ATOM 1365 CE2 TYR A 85 -6.698 5.753 -4.156 1.00 0.00 C ATOM 1366 CZ TYR A 85 -6.285 6.921 -4.773 1.00 0.00 C ATOM 1367 OH TYR A 85 -7.200 7.741 -5.392 1.00 0.00 O ATOM 0 H TYR A 85 -2.229 4.333 -5.654 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.793 3.004 -3.108 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -3.887 3.777 -2.097 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.701 5.058 -2.250 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -2.997 6.768 -4.158 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -6.089 4.032 -3.066 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -4.647 8.195 -5.248 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -7.742 5.476 -4.158 1.00 0.00 H new ATOM 0 HH TYR A 85 -7.661 8.283 -4.719 1.00 0.00 H new ATOM 1377 N LEU A 86 -3.404 1.257 -3.824 1.00 0.00 N ATOM 1378 CA LEU A 86 -4.088 0.089 -4.370 1.00 0.00 C ATOM 1379 C LEU A 86 -5.366 -0.182 -3.567 1.00 0.00 C ATOM 1380 O LEU A 86 -5.318 -0.506 -2.358 1.00 0.00 O ATOM 1381 CB LEU A 86 -3.116 -1.134 -4.370 1.00 0.00 C ATOM 1382 CG LEU A 86 -3.591 -2.471 -5.047 1.00 0.00 C ATOM 1383 CD1 LEU A 86 -4.496 -3.330 -4.141 1.00 0.00 C ATOM 1384 CD2 LEU A 86 -4.256 -2.204 -6.405 1.00 0.00 C ATOM 0 H LEU A 86 -2.956 1.081 -2.925 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.384 0.272 -5.403 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.193 -0.824 -4.861 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.866 -1.358 -3.333 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.688 -3.059 -5.215 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.786 -4.237 -4.672 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.954 -3.598 -3.234 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.389 -2.763 -3.876 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.573 -3.149 -6.847 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.124 -1.560 -6.265 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.544 -1.714 -7.069 1.00 0.00 H new ATOM 1396 N GLU A 87 -6.493 -0.047 -4.270 1.00 0.00 N ATOM 1397 CA GLU A 87 -7.811 -0.440 -3.795 1.00 0.00 C ATOM 1398 C GLU A 87 -8.088 -1.876 -4.291 1.00 0.00 C ATOM 1399 O GLU A 87 -8.404 -2.083 -5.472 1.00 0.00 O ATOM 1400 CB GLU A 87 -8.872 0.565 -4.318 1.00 0.00 C ATOM 1401 CG GLU A 87 -8.670 2.023 -3.854 1.00 0.00 C ATOM 1402 CD GLU A 87 -9.750 2.984 -4.383 1.00 0.00 C ATOM 1403 OE1 GLU A 87 -10.951 2.742 -4.113 1.00 0.00 O ATOM 1404 OE2 GLU A 87 -9.416 3.975 -5.063 1.00 0.00 O ATOM 0 H GLU A 87 -6.509 0.350 -5.210 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.858 -0.426 -2.706 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.867 0.542 -5.408 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.858 0.230 -3.996 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.668 2.054 -2.764 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.691 2.370 -4.184 1.00 0.00 H new ATOM 1411 N GLY A 88 -7.911 -2.853 -3.390 1.00 0.00 N ATOM 1412 CA GLY A 88 -8.084 -4.270 -3.717 1.00 0.00 C ATOM 1413 C GLY A 88 -7.915 -5.154 -2.490 1.00 0.00 C ATOM 1414 O GLY A 88 -7.253 -4.754 -1.527 1.00 0.00 O ATOM 0 H GLY A 88 -7.645 -2.682 -2.420 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.074 -4.427 -4.145 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.358 -4.560 -4.477 1.00 0.00 H new ATOM 1418 N ASN A 89 -8.491 -6.366 -2.532 1.00 0.00 N ATOM 1419 CA ASN A 89 -8.534 -7.276 -1.368 1.00 0.00 C ATOM 1420 C ASN A 89 -7.216 -8.047 -1.183 1.00 0.00 C ATOM 1421 O ASN A 89 -6.810 -8.801 -2.064 1.00 0.00 O ATOM 1422 CB ASN A 89 -9.734 -8.243 -1.471 1.00 0.00 C ATOM 1423 CG ASN A 89 -11.086 -7.568 -1.228 1.00 0.00 C ATOM 1424 OD1 ASN A 89 -12.089 -7.907 -1.859 1.00 0.00 O ATOM 1425 ND2 ASN A 89 -11.141 -6.637 -0.272 1.00 0.00 N ATOM 0 H ASN A 89 -8.939 -6.744 -3.367 1.00 0.00 H new ATOM 0 HA ASN A 89 -8.666 -6.657 -0.480 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -9.738 -8.700 -2.461 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -9.604 -9.049 -0.748 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -12.029 -6.187 -0.048 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -10.295 -6.376 0.235 1.00 0.00 H new ATOM 1432 N VAL A 90 -6.593 -7.869 0.004 1.00 0.00 N ATOM 1433 CA VAL A 90 -5.240 -8.384 0.321 1.00 0.00 C ATOM 1434 C VAL A 90 -5.174 -9.928 0.282 1.00 0.00 C ATOM 1435 O VAL A 90 -4.170 -10.506 -0.149 1.00 0.00 O ATOM 1436 CB VAL A 90 -4.727 -7.825 1.710 1.00 0.00 C ATOM 1437 CG1 VAL A 90 -5.611 -8.286 2.885 1.00 0.00 C ATOM 1438 CG2 VAL A 90 -3.242 -8.177 1.963 1.00 0.00 C ATOM 0 H VAL A 90 -7.019 -7.359 0.777 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.572 -8.020 -0.460 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.804 -6.739 1.650 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.220 -7.878 3.817 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.631 -7.932 2.734 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.609 -9.375 2.937 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.932 -7.774 2.927 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.120 -9.260 1.966 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.626 -7.745 1.174 1.00 0.00 H new ATOM 1448 N TYR A 91 -6.270 -10.578 0.699 1.00 0.00 N ATOM 1449 CA TYR A 91 -6.389 -12.052 0.694 1.00 0.00 C ATOM 1450 C TYR A 91 -6.582 -12.570 -0.749 1.00 0.00 C ATOM 1451 O TYR A 91 -6.183 -13.696 -1.083 1.00 0.00 O ATOM 1452 CB TYR A 91 -7.570 -12.494 1.604 1.00 0.00 C ATOM 1453 CG TYR A 91 -7.439 -12.036 3.072 1.00 0.00 C ATOM 1454 CD1 TYR A 91 -6.724 -12.785 4.008 1.00 0.00 C ATOM 1455 CD2 TYR A 91 -8.015 -10.844 3.509 1.00 0.00 C ATOM 1456 CE1 TYR A 91 -6.595 -12.362 5.317 1.00 0.00 C ATOM 1457 CE2 TYR A 91 -7.885 -10.413 4.814 1.00 0.00 C ATOM 1458 CZ TYR A 91 -7.175 -11.178 5.713 1.00 0.00 C ATOM 1459 OH TYR A 91 -7.042 -10.753 7.014 1.00 0.00 O ATOM 0 H TYR A 91 -7.101 -10.102 1.050 1.00 0.00 H new ATOM 0 HA TYR A 91 -5.469 -12.484 1.089 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -8.499 -12.099 1.193 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -7.647 -13.581 1.579 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -6.263 -13.713 3.703 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -8.577 -10.243 2.809 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -6.041 -12.958 6.027 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -8.336 -9.483 5.128 1.00 0.00 H new ATOM 0 HH TYR A 91 -6.362 -11.294 7.467 1.00 0.00 H new ATOM 1469 N ASP A 92 -7.173 -11.706 -1.597 1.00 0.00 N ATOM 1470 CA ASP A 92 -7.485 -12.025 -3.002 1.00 0.00 C ATOM 1471 C ASP A 92 -6.280 -11.826 -3.932 1.00 0.00 C ATOM 1472 O ASP A 92 -6.317 -12.310 -5.055 1.00 0.00 O ATOM 1473 CB ASP A 92 -8.703 -11.199 -3.517 1.00 0.00 C ATOM 1474 CG ASP A 92 -10.045 -11.660 -2.927 1.00 0.00 C ATOM 1475 OD1 ASP A 92 -10.205 -11.607 -1.690 1.00 0.00 O ATOM 1476 OD2 ASP A 92 -10.939 -12.098 -3.687 1.00 0.00 O ATOM 0 H ASP A 92 -7.448 -10.763 -1.324 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.745 -13.083 -3.022 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -8.549 -10.148 -3.273 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.748 -11.271 -4.604 1.00 0.00 H new ATOM 1481 N PHE A 93 -5.219 -11.128 -3.476 1.00 0.00 N ATOM 1482 CA PHE A 93 -3.972 -10.967 -4.271 1.00 0.00 C ATOM 1483 C PHE A 93 -3.433 -12.348 -4.706 1.00 0.00 C ATOM 1484 O PHE A 93 -3.113 -12.577 -5.877 1.00 0.00 O ATOM 1485 CB PHE A 93 -2.861 -10.242 -3.459 1.00 0.00 C ATOM 1486 CG PHE A 93 -3.145 -8.809 -3.006 1.00 0.00 C ATOM 1487 CD1 PHE A 93 -4.230 -8.084 -3.480 1.00 0.00 C ATOM 1488 CD2 PHE A 93 -2.298 -8.183 -2.103 1.00 0.00 C ATOM 1489 CE1 PHE A 93 -4.462 -6.788 -3.067 1.00 0.00 C ATOM 1490 CE2 PHE A 93 -2.529 -6.892 -1.691 1.00 0.00 C ATOM 1491 CZ PHE A 93 -3.608 -6.191 -2.169 1.00 0.00 C ATOM 0 H PHE A 93 -5.195 -10.667 -2.566 1.00 0.00 H new ATOM 0 HA PHE A 93 -4.225 -10.364 -5.143 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -2.646 -10.840 -2.573 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.954 -10.231 -4.063 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -4.906 -8.544 -4.186 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.443 -8.719 -1.717 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -5.313 -6.243 -3.448 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -1.857 -6.426 -0.986 1.00 0.00 H new ATOM 0 HZ PHE A 93 -3.785 -5.177 -1.842 1.00 0.00 H new ATOM 1501 N GLU A 94 -3.412 -13.262 -3.726 1.00 0.00 N ATOM 1502 CA GLU A 94 -2.829 -14.599 -3.864 1.00 0.00 C ATOM 1503 C GLU A 94 -3.605 -15.424 -4.921 1.00 0.00 C ATOM 1504 O GLU A 94 -3.001 -16.009 -5.828 1.00 0.00 O ATOM 1505 CB GLU A 94 -2.814 -15.286 -2.462 1.00 0.00 C ATOM 1506 CG GLU A 94 -1.703 -16.340 -2.240 1.00 0.00 C ATOM 1507 CD GLU A 94 -1.890 -17.641 -3.036 1.00 0.00 C ATOM 1508 OE1 GLU A 94 -2.766 -18.451 -2.671 1.00 0.00 O ATOM 1509 OE2 GLU A 94 -1.172 -17.855 -4.033 1.00 0.00 O ATOM 0 H GLU A 94 -3.806 -13.088 -2.802 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.802 -14.530 -4.222 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.712 -14.513 -1.701 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -3.780 -15.765 -2.303 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -0.743 -15.899 -2.509 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -1.656 -16.582 -1.178 1.00 0.00 H new ATOM 1516 N LYS A 95 -4.950 -15.414 -4.821 1.00 0.00 N ATOM 1517 CA LYS A 95 -5.830 -16.152 -5.756 1.00 0.00 C ATOM 1518 C LYS A 95 -5.914 -15.455 -7.140 1.00 0.00 C ATOM 1519 O LYS A 95 -6.278 -16.094 -8.131 1.00 0.00 O ATOM 1520 CB LYS A 95 -7.246 -16.358 -5.144 1.00 0.00 C ATOM 1521 CG LYS A 95 -8.016 -15.060 -4.851 1.00 0.00 C ATOM 1522 CD LYS A 95 -9.397 -15.290 -4.184 1.00 0.00 C ATOM 1523 CE LYS A 95 -10.415 -15.983 -5.109 1.00 0.00 C ATOM 1524 NZ LYS A 95 -11.752 -16.121 -4.464 1.00 0.00 N ATOM 0 H LYS A 95 -5.455 -14.900 -4.098 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.385 -17.134 -5.916 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -7.837 -16.968 -5.827 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -7.147 -16.923 -4.217 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -7.410 -14.427 -4.202 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -8.160 -14.515 -5.784 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -9.263 -15.894 -3.287 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -9.802 -14.330 -3.864 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -10.515 -15.411 -6.031 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -10.042 -16.969 -5.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.407 -16.592 -5.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -11.662 -16.689 -3.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.121 -15.179 -4.224 1.00 0.00 H new ATOM 1538 N TYR A 96 -5.576 -14.145 -7.195 1.00 0.00 N ATOM 1539 CA TYR A 96 -5.443 -13.388 -8.467 1.00 0.00 C ATOM 1540 C TYR A 96 -4.095 -13.697 -9.150 1.00 0.00 C ATOM 1541 O TYR A 96 -3.909 -13.359 -10.318 1.00 0.00 O ATOM 1542 CB TYR A 96 -5.601 -11.846 -8.232 1.00 0.00 C ATOM 1543 CG TYR A 96 -7.044 -11.317 -8.336 1.00 0.00 C ATOM 1544 CD1 TYR A 96 -8.039 -11.757 -7.465 1.00 0.00 C ATOM 1545 CD2 TYR A 96 -7.407 -10.377 -9.310 1.00 0.00 C ATOM 1546 CE1 TYR A 96 -9.331 -11.292 -7.556 1.00 0.00 C ATOM 1547 CE2 TYR A 96 -8.704 -9.907 -9.402 1.00 0.00 C ATOM 1548 CZ TYR A 96 -9.662 -10.368 -8.522 1.00 0.00 C ATOM 1549 OH TYR A 96 -10.957 -9.911 -8.612 1.00 0.00 O ATOM 0 H TYR A 96 -5.388 -13.584 -6.364 1.00 0.00 H new ATOM 0 HA TYR A 96 -6.247 -13.710 -9.129 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.211 -11.602 -7.244 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -4.983 -11.318 -8.958 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -7.791 -12.479 -6.701 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -6.661 -10.013 -10.001 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -10.084 -11.651 -6.871 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -8.966 -9.183 -10.159 1.00 0.00 H new ATOM 0 HH TYR A 96 -11.025 -9.263 -9.344 1.00 0.00 H new ATOM 1559 N GLY A 97 -3.153 -14.299 -8.404 1.00 0.00 N ATOM 1560 CA GLY A 97 -1.876 -14.767 -8.970 1.00 0.00 C ATOM 1561 C GLY A 97 -0.691 -13.909 -8.556 1.00 0.00 C ATOM 1562 O GLY A 97 0.439 -14.160 -8.988 1.00 0.00 O ATOM 0 H GLY A 97 -3.253 -14.473 -7.404 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -1.700 -15.795 -8.654 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -1.949 -14.776 -10.058 1.00 0.00 H new ATOM 1566 N PHE A 98 -0.953 -12.888 -7.729 1.00 0.00 N ATOM 1567 CA PHE A 98 0.083 -12.027 -7.144 1.00 0.00 C ATOM 1568 C PHE A 98 0.681 -12.727 -5.918 1.00 0.00 C ATOM 1569 O PHE A 98 -0.063 -13.142 -5.019 1.00 0.00 O ATOM 1570 CB PHE A 98 -0.514 -10.657 -6.744 1.00 0.00 C ATOM 1571 CG PHE A 98 -1.130 -9.887 -7.913 1.00 0.00 C ATOM 1572 CD1 PHE A 98 -0.328 -9.128 -8.760 1.00 0.00 C ATOM 1573 CD2 PHE A 98 -2.501 -9.928 -8.163 1.00 0.00 C ATOM 1574 CE1 PHE A 98 -0.873 -8.428 -9.813 1.00 0.00 C ATOM 1575 CE2 PHE A 98 -3.048 -9.226 -9.221 1.00 0.00 C ATOM 1576 CZ PHE A 98 -2.236 -8.477 -10.047 1.00 0.00 C ATOM 0 H PHE A 98 -1.899 -12.634 -7.445 1.00 0.00 H new ATOM 0 HA PHE A 98 0.866 -11.851 -7.881 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.277 -10.812 -5.981 1.00 0.00 H new ATOM 0 HB3 PHE A 98 0.269 -10.048 -6.292 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.738 -9.087 -8.589 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -3.143 -10.515 -7.523 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -0.236 -7.840 -10.457 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -4.112 -9.264 -9.401 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.663 -7.930 -10.875 1.00 0.00 H new ATOM 1586 N ARG A 99 2.014 -12.884 -5.921 1.00 0.00 N ATOM 1587 CA ARG A 99 2.773 -13.541 -4.838 1.00 0.00 C ATOM 1588 C ARG A 99 2.554 -12.814 -3.491 1.00 0.00 C ATOM 1589 O ARG A 99 2.658 -11.589 -3.402 1.00 0.00 O ATOM 1590 CB ARG A 99 4.282 -13.618 -5.247 1.00 0.00 C ATOM 1591 CG ARG A 99 5.325 -13.704 -4.107 1.00 0.00 C ATOM 1592 CD ARG A 99 5.216 -14.950 -3.219 1.00 0.00 C ATOM 1593 NE ARG A 99 6.179 -14.897 -2.110 1.00 0.00 N ATOM 1594 CZ ARG A 99 6.193 -15.721 -1.057 1.00 0.00 C ATOM 1595 NH1 ARG A 99 5.338 -16.731 -0.959 1.00 0.00 N ATOM 1596 NH2 ARG A 99 7.093 -15.534 -0.110 1.00 0.00 N ATOM 0 H ARG A 99 2.605 -12.555 -6.684 1.00 0.00 H new ATOM 0 HA ARG A 99 2.411 -14.559 -4.693 1.00 0.00 H new ATOM 0 HB2 ARG A 99 4.413 -14.489 -5.890 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.513 -12.739 -5.849 1.00 0.00 H new ATOM 0 HG2 ARG A 99 6.323 -13.675 -4.545 1.00 0.00 H new ATOM 0 HG3 ARG A 99 5.227 -12.819 -3.478 1.00 0.00 H new ATOM 0 HD2 ARG A 99 4.204 -15.030 -2.822 1.00 0.00 H new ATOM 0 HD3 ARG A 99 5.395 -15.843 -3.817 1.00 0.00 H new ATOM 0 HE ARG A 99 6.896 -14.172 -2.147 1.00 0.00 H new ATOM 0 HH11 ARG A 99 4.652 -16.892 -1.696 1.00 0.00 H new ATOM 0 HH12 ARG A 99 5.367 -17.347 -0.146 1.00 0.00 H new ATOM 0 HH21 ARG A 99 7.764 -14.770 -0.188 1.00 0.00 H new ATOM 0 HH22 ARG A 99 7.117 -16.154 0.700 1.00 0.00 H new ATOM 1610 N MET A 100 2.228 -13.615 -2.464 1.00 0.00 N ATOM 1611 CA MET A 100 1.909 -13.152 -1.100 1.00 0.00 C ATOM 1612 C MET A 100 2.699 -13.973 -0.070 1.00 0.00 C ATOM 1613 O MET A 100 2.746 -15.205 -0.154 1.00 0.00 O ATOM 1614 CB MET A 100 0.389 -13.278 -0.834 1.00 0.00 C ATOM 1615 CG MET A 100 -0.454 -12.238 -1.570 1.00 0.00 C ATOM 1616 SD MET A 100 -0.222 -10.577 -0.913 1.00 0.00 S ATOM 1617 CE MET A 100 -0.899 -10.745 0.734 1.00 0.00 C ATOM 0 H MET A 100 2.177 -14.629 -2.560 1.00 0.00 H new ATOM 0 HA MET A 100 2.192 -12.104 -1.007 1.00 0.00 H new ATOM 0 HB2 MET A 100 0.059 -14.274 -1.129 1.00 0.00 H new ATOM 0 HB3 MET A 100 0.208 -13.187 0.237 1.00 0.00 H new ATOM 0 HG2 MET A 100 -0.194 -12.247 -2.629 1.00 0.00 H new ATOM 0 HG3 MET A 100 -1.507 -12.511 -1.498 1.00 0.00 H new ATOM 0 HE1 MET A 100 -1.036 -9.757 1.174 1.00 0.00 H new ATOM 0 HE2 MET A 100 -1.861 -11.256 0.682 1.00 0.00 H new ATOM 0 HE3 MET A 100 -0.213 -11.325 1.352 1.00 0.00 H new ATOM 1627 N VAL A 101 3.318 -13.279 0.893 1.00 0.00 N ATOM 1628 CA VAL A 101 4.071 -13.907 1.994 1.00 0.00 C ATOM 1629 C VAL A 101 3.140 -14.077 3.207 1.00 0.00 C ATOM 1630 O VAL A 101 2.558 -13.095 3.673 1.00 0.00 O ATOM 1631 CB VAL A 101 5.320 -13.040 2.412 1.00 0.00 C ATOM 1632 CG1 VAL A 101 6.234 -13.802 3.396 1.00 0.00 C ATOM 1633 CG2 VAL A 101 6.109 -12.570 1.173 1.00 0.00 C ATOM 0 H VAL A 101 3.312 -12.260 0.934 1.00 0.00 H new ATOM 0 HA VAL A 101 4.434 -14.876 1.651 1.00 0.00 H new ATOM 0 HB VAL A 101 4.947 -12.156 2.928 1.00 0.00 H new ATOM 0 HG11 VAL A 101 7.085 -13.175 3.663 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.672 -14.052 4.295 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.592 -14.718 2.925 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.965 -11.974 1.491 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.459 -13.438 0.614 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.462 -11.965 0.538 1.00 0.00 H new ATOM 1643 N TYR A 102 2.977 -15.320 3.676 1.00 0.00 N ATOM 1644 CA TYR A 102 2.212 -15.633 4.901 1.00 0.00 C ATOM 1645 C TYR A 102 3.174 -16.077 6.015 1.00 0.00 C ATOM 1646 O TYR A 102 4.360 -16.329 5.751 1.00 0.00 O ATOM 1647 CB TYR A 102 1.178 -16.765 4.634 1.00 0.00 C ATOM 1648 CG TYR A 102 0.052 -16.406 3.648 1.00 0.00 C ATOM 1649 CD1 TYR A 102 0.294 -16.313 2.273 1.00 0.00 C ATOM 1650 CD2 TYR A 102 -1.252 -16.172 4.091 1.00 0.00 C ATOM 1651 CE1 TYR A 102 -0.717 -16.000 1.389 1.00 0.00 C ATOM 1652 CE2 TYR A 102 -2.263 -15.860 3.205 1.00 0.00 C ATOM 1653 CZ TYR A 102 -1.991 -15.775 1.858 1.00 0.00 C ATOM 1654 OH TYR A 102 -3.002 -15.462 0.979 1.00 0.00 O ATOM 0 H TYR A 102 3.371 -16.143 3.220 1.00 0.00 H new ATOM 0 HA TYR A 102 1.677 -14.735 5.209 1.00 0.00 H new ATOM 0 HB2 TYR A 102 1.709 -17.637 4.252 1.00 0.00 H new ATOM 0 HB3 TYR A 102 0.729 -17.056 5.583 1.00 0.00 H new ATOM 0 HD1 TYR A 102 1.291 -16.490 1.897 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.473 -16.236 5.146 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -0.509 -15.932 0.331 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -3.265 -15.683 3.567 1.00 0.00 H new ATOM 0 HH TYR A 102 -3.838 -15.336 1.474 1.00 0.00 H new ATOM 1664 N ASP A 103 2.638 -16.168 7.251 1.00 0.00 N ATOM 1665 CA ASP A 103 3.340 -16.761 8.425 1.00 0.00 C ATOM 1666 C ASP A 103 4.610 -15.946 8.790 1.00 0.00 C ATOM 1667 O ASP A 103 5.622 -16.483 9.246 1.00 0.00 O ATOM 1668 CB ASP A 103 3.648 -18.275 8.157 1.00 0.00 C ATOM 1669 CG ASP A 103 4.103 -19.068 9.404 1.00 0.00 C ATOM 1670 OD1 ASP A 103 3.262 -19.345 10.288 1.00 0.00 O ATOM 1671 OD2 ASP A 103 5.298 -19.426 9.507 1.00 0.00 O ATOM 0 H ASP A 103 1.700 -15.832 7.471 1.00 0.00 H new ATOM 0 HA ASP A 103 2.686 -16.709 9.295 1.00 0.00 H new ATOM 0 HB2 ASP A 103 2.755 -18.747 7.748 1.00 0.00 H new ATOM 0 HB3 ASP A 103 4.424 -18.345 7.394 1.00 0.00 H new ATOM 1676 N ASP A 104 4.524 -14.617 8.598 1.00 0.00 N ATOM 1677 CA ASP A 104 5.582 -13.655 9.000 1.00 0.00 C ATOM 1678 C ASP A 104 5.562 -13.403 10.516 1.00 0.00 C ATOM 1679 O ASP A 104 6.395 -12.648 11.034 1.00 0.00 O ATOM 1680 CB ASP A 104 5.416 -12.325 8.230 1.00 0.00 C ATOM 1681 CG ASP A 104 5.591 -12.488 6.731 1.00 0.00 C ATOM 1682 OD1 ASP A 104 6.759 -12.509 6.271 1.00 0.00 O ATOM 1683 OD2 ASP A 104 4.574 -12.600 6.006 1.00 0.00 O ATOM 0 H ASP A 104 3.718 -14.172 8.158 1.00 0.00 H new ATOM 0 HA ASP A 104 6.548 -14.092 8.748 1.00 0.00 H new ATOM 0 HB2 ASP A 104 4.427 -11.914 8.433 1.00 0.00 H new ATOM 0 HB3 ASP A 104 6.144 -11.603 8.600 1.00 0.00 H new ATOM 1688 N THR A 105 4.586 -14.034 11.198 1.00 0.00 N ATOM 1689 CA THR A 105 4.469 -14.057 12.652 1.00 0.00 C ATOM 1690 C THR A 105 5.815 -14.440 13.310 1.00 0.00 C ATOM 1691 O THR A 105 6.312 -15.561 13.149 1.00 0.00 O ATOM 1692 CB THR A 105 3.344 -15.059 13.086 1.00 0.00 C ATOM 1693 OG1 THR A 105 3.619 -16.371 12.561 1.00 0.00 O ATOM 1694 CG2 THR A 105 1.954 -14.626 12.591 1.00 0.00 C ATOM 0 H THR A 105 3.842 -14.553 10.731 1.00 0.00 H new ATOM 0 HA THR A 105 4.201 -13.056 12.990 1.00 0.00 H new ATOM 0 HB THR A 105 3.339 -15.070 14.176 1.00 0.00 H new ATOM 0 HG1 THR A 105 4.585 -16.535 12.579 1.00 0.00 H new ATOM 0 HG21 THR A 105 1.209 -15.352 12.917 1.00 0.00 H new ATOM 0 HG22 THR A 105 1.710 -13.646 13.002 1.00 0.00 H new ATOM 0 HG23 THR A 105 1.956 -14.572 11.502 1.00 0.00 H new ATOM 1702 N CYS A 106 6.412 -13.471 14.016 1.00 0.00 N ATOM 1703 CA CYS A 106 7.694 -13.635 14.715 1.00 0.00 C ATOM 1704 C CYS A 106 7.507 -14.365 16.062 1.00 0.00 C ATOM 1705 O CYS A 106 8.447 -14.487 16.853 1.00 0.00 O ATOM 1706 CB CYS A 106 8.337 -12.250 14.904 1.00 0.00 C ATOM 1707 SG CYS A 106 8.481 -11.307 13.370 1.00 0.00 S ATOM 0 H CYS A 106 6.013 -12.538 14.119 1.00 0.00 H new ATOM 0 HA CYS A 106 8.358 -14.257 14.115 1.00 0.00 H new ATOM 0 HB2 CYS A 106 7.745 -11.678 15.619 1.00 0.00 H new ATOM 0 HB3 CYS A 106 9.329 -12.375 15.339 1.00 0.00 H new ATOM 0 HG CYS A 106 7.705 -11.827 12.466 1.00 0.00 H new ATOM 1713 N ASP A 107 6.275 -14.839 16.311 1.00 0.00 N ATOM 1714 CA ASP A 107 5.942 -15.700 17.445 1.00 0.00 C ATOM 1715 C ASP A 107 6.097 -17.187 17.024 1.00 0.00 C ATOM 1716 O ASP A 107 6.239 -17.491 15.832 1.00 0.00 O ATOM 1717 CB ASP A 107 4.497 -15.385 17.911 1.00 0.00 C ATOM 1718 CG ASP A 107 4.224 -15.872 19.337 1.00 0.00 C ATOM 1719 OD1 ASP A 107 4.595 -15.157 20.286 1.00 0.00 O ATOM 1720 OD2 ASP A 107 3.698 -16.987 19.515 1.00 0.00 O ATOM 0 H ASP A 107 5.473 -14.628 15.717 1.00 0.00 H new ATOM 0 HA ASP A 107 6.618 -15.515 18.280 1.00 0.00 H new ATOM 0 HB2 ASP A 107 4.328 -14.310 17.859 1.00 0.00 H new ATOM 0 HB3 ASP A 107 3.788 -15.853 17.228 1.00 0.00 H new ATOM 1725 N LYS A 108 6.030 -18.098 18.006 1.00 0.00 N ATOM 1726 CA LYS A 108 6.318 -19.541 17.833 1.00 0.00 C ATOM 1727 C LYS A 108 5.020 -20.366 17.660 1.00 0.00 C ATOM 1728 O LYS A 108 5.059 -21.509 17.192 1.00 0.00 O ATOM 1729 CB LYS A 108 7.127 -20.047 19.065 1.00 0.00 C ATOM 1730 CG LYS A 108 6.384 -19.936 20.448 1.00 0.00 C ATOM 1731 CD LYS A 108 7.106 -19.036 21.489 1.00 0.00 C ATOM 1732 CE LYS A 108 7.201 -17.564 21.064 1.00 0.00 C ATOM 1733 NZ LYS A 108 7.796 -16.704 22.122 1.00 0.00 N ATOM 0 H LYS A 108 5.770 -17.855 18.962 1.00 0.00 H new ATOM 0 HA LYS A 108 6.905 -19.674 16.924 1.00 0.00 H new ATOM 0 HB2 LYS A 108 7.397 -21.090 18.899 1.00 0.00 H new ATOM 0 HB3 LYS A 108 8.058 -19.483 19.125 1.00 0.00 H new ATOM 0 HG2 LYS A 108 5.381 -19.544 20.278 1.00 0.00 H new ATOM 0 HG3 LYS A 108 6.268 -20.936 20.867 1.00 0.00 H new ATOM 0 HD2 LYS A 108 6.577 -19.098 22.440 1.00 0.00 H new ATOM 0 HD3 LYS A 108 8.111 -19.423 21.657 1.00 0.00 H new ATOM 0 HE2 LYS A 108 7.802 -17.489 20.158 1.00 0.00 H new ATOM 0 HE3 LYS A 108 6.205 -17.195 20.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 7.838 -15.720 21.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 7.210 -16.753 22.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 8.757 -17.037 22.340 1.00 0.00 H new ATOM 1747 N LYS A 109 3.881 -19.772 18.044 1.00 0.00 N ATOM 1748 CA LYS A 109 2.576 -20.458 18.079 1.00 0.00 C ATOM 1749 C LYS A 109 1.897 -20.360 16.700 1.00 0.00 C ATOM 1750 O LYS A 109 1.400 -19.294 16.311 1.00 0.00 O ATOM 1751 CB LYS A 109 1.709 -19.837 19.210 1.00 0.00 C ATOM 1752 CG LYS A 109 2.370 -19.937 20.609 1.00 0.00 C ATOM 1753 CD LYS A 109 1.743 -18.992 21.659 1.00 0.00 C ATOM 1754 CE LYS A 109 2.536 -18.973 22.972 1.00 0.00 C ATOM 1755 NZ LYS A 109 2.031 -17.948 23.926 1.00 0.00 N ATOM 0 H LYS A 109 3.836 -18.797 18.341 1.00 0.00 H new ATOM 0 HA LYS A 109 2.706 -21.518 18.298 1.00 0.00 H new ATOM 0 HB2 LYS A 109 1.518 -18.789 18.979 1.00 0.00 H new ATOM 0 HB3 LYS A 109 0.742 -20.339 19.235 1.00 0.00 H new ATOM 0 HG2 LYS A 109 2.293 -20.964 20.965 1.00 0.00 H new ATOM 0 HG3 LYS A 109 3.432 -19.710 20.517 1.00 0.00 H new ATOM 0 HD2 LYS A 109 1.694 -17.982 21.252 1.00 0.00 H new ATOM 0 HD3 LYS A 109 0.718 -19.305 21.860 1.00 0.00 H new ATOM 0 HE2 LYS A 109 2.484 -19.957 23.439 1.00 0.00 H new ATOM 0 HE3 LYS A 109 3.586 -18.778 22.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 2.599 -17.975 24.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 2.104 -17.005 23.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 1.036 -18.147 24.155 1.00 0.00 H new ATOM 1769 N ASN A 110 1.923 -21.487 15.967 1.00 0.00 N ATOM 1770 CA ASN A 110 1.435 -21.584 14.575 1.00 0.00 C ATOM 1771 C ASN A 110 -0.092 -21.840 14.565 1.00 0.00 C ATOM 1772 O ASN A 110 -0.521 -22.965 14.903 1.00 0.00 O ATOM 1773 CB ASN A 110 2.193 -22.721 13.813 1.00 0.00 C ATOM 1774 CG ASN A 110 3.692 -22.468 13.560 1.00 0.00 C ATOM 1775 OD1 ASN A 110 4.241 -22.947 12.571 1.00 0.00 O ATOM 1776 ND2 ASN A 110 4.380 -21.759 14.445 1.00 0.00 N ATOM 1777 OXT ASN A 110 -0.860 -20.916 14.237 1.00 0.00 O ATOM 0 H ASN A 110 2.288 -22.369 16.327 1.00 0.00 H new ATOM 0 HA ASN A 110 1.631 -20.641 14.064 1.00 0.00 H new ATOM 0 HB2 ASN A 110 2.090 -23.646 14.381 1.00 0.00 H new ATOM 0 HB3 ASN A 110 1.702 -22.880 12.853 1.00 0.00 H new ATOM 0 HD21 ASN A 110 5.379 -21.605 14.309 1.00 0.00 H new ATOM 0 HD22 ASN A 110 3.910 -21.368 15.261 1.00 0.00 H new TER 1784 ASN A 110