USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 661 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 180:sc= 0 (180deg=0) 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 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.028) USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 16 GLN : amide:sc= -0.457 X(o=-0.46,f=-0.19) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.0141 X(o=-0.014,f=-0.24) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -170:sc= -1.03 USER MOD Single : A 39 LYS NZ :NH3+ -128:sc= -0.195 (180deg=-1.42!) USER MOD Single : A 43 LYS NZ :NH3+ 150:sc= -0.128 (180deg=-0.618) USER MOD Single : A 45 MET CE :methyl 169:sc= -4.53! (180deg=-4.73!) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.0191 X(o=-0.019,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.332 X(o=-0.33,f=-0.5) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.659 USER MOD Single : A 58 GLN : amide:sc= -0.48 X(o=-0.48,f=-0.94) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot -97:sc= 1.27 USER MOD Single : A 71 THR OG1 : rot -170:sc= 0 USER MOD Single : A 80 MET CE :methyl 163:sc= -1.34 (180deg=-2.19) USER MOD Single : A 81 MET CE :methyl -119:sc= -2.16 (180deg=-6.1!) USER MOD Single : A 84 CYS SG : rot 57:sc= -0.229 USER MOD Single : A 85 MET CE :methyl -173:sc= -0.742 (180deg=-0.934) USER MOD Single : A 86 LYS NZ :NH3+ -162:sc= -0.0186 (180deg=-0.194) USER MOD Single : A 89 SER OG : rot 84:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.490 -1.463 0.124 1.00 30.02 N ATOM 2 CA MET A 1 2.339 -0.856 -0.894 1.00 63.33 C ATOM 3 C MET A 1 3.632 -1.648 -1.066 1.00 52.14 C ATOM 4 O MET A 1 4.622 -1.393 -0.381 1.00 64.51 O ATOM 5 CB MET A 1 2.661 0.593 -0.524 1.00 35.11 C ATOM 6 CG MET A 1 1.640 1.593 -1.042 1.00 41.15 C ATOM 7 SD MET A 1 1.836 1.937 -2.802 1.00 22.24 S ATOM 8 CE MET A 1 3.014 3.285 -2.754 1.00 1.42 C ATOM 0 H1 MET A 1 0.616 -0.908 0.224 1.00 30.02 H new ATOM 0 H2 MET A 1 1.252 -2.435 -0.157 1.00 30.02 H new ATOM 0 H3 MET A 1 1.995 -1.480 1.033 1.00 30.02 H new ATOM 0 HA MET A 1 1.796 -0.870 -1.839 1.00 63.33 H new ATOM 0 HB2 MET A 1 2.722 0.677 0.561 1.00 35.11 H new ATOM 0 HB3 MET A 1 3.643 0.851 -0.920 1.00 35.11 H new ATOM 0 HG2 MET A 1 0.636 1.209 -0.860 1.00 41.15 H new ATOM 0 HG3 MET A 1 1.731 2.523 -0.481 1.00 41.15 H new ATOM 0 HE1 MET A 1 3.237 3.610 -3.770 1.00 1.42 H new ATOM 0 HE2 MET A 1 2.591 4.118 -2.192 1.00 1.42 H new ATOM 0 HE3 MET A 1 3.932 2.949 -2.271 1.00 1.42 H new ATOM 18 N ASP A 2 3.615 -2.608 -1.985 1.00 15.24 N ATOM 19 CA ASP A 2 4.786 -3.436 -2.247 1.00 33.11 C ATOM 20 C ASP A 2 5.735 -2.742 -3.219 1.00 23.44 C ATOM 21 O ASP A 2 5.398 -2.525 -4.383 1.00 3.35 O ATOM 22 CB ASP A 2 4.361 -4.793 -2.810 1.00 62.24 C ATOM 23 CG ASP A 2 4.070 -5.807 -1.721 1.00 53.33 C ATOM 24 OD1 ASP A 2 4.986 -6.103 -0.925 1.00 54.04 O ATOM 25 OD2 ASP A 2 2.925 -6.303 -1.664 1.00 44.03 O ATOM 0 H ASP A 2 2.803 -2.832 -2.561 1.00 15.24 H new ATOM 0 HA ASP A 2 5.310 -3.591 -1.304 1.00 33.11 H new ATOM 0 HB2 ASP A 2 3.473 -4.664 -3.429 1.00 62.24 H new ATOM 0 HB3 ASP A 2 5.149 -5.177 -3.458 1.00 62.24 H new ATOM 30 N ASP A 3 6.922 -2.397 -2.733 1.00 24.04 N ATOM 31 CA ASP A 3 7.921 -1.728 -3.558 1.00 2.21 C ATOM 32 C ASP A 3 8.520 -2.693 -4.576 1.00 23.31 C ATOM 33 O ASP A 3 9.003 -2.278 -5.630 1.00 21.21 O ATOM 34 CB ASP A 3 9.028 -1.140 -2.681 1.00 20.41 C ATOM 35 CG ASP A 3 8.579 0.101 -1.936 1.00 52.30 C ATOM 36 OD1 ASP A 3 7.400 0.153 -1.527 1.00 4.24 O ATOM 37 OD2 ASP A 3 9.405 1.022 -1.763 1.00 65.43 O ATOM 0 H ASP A 3 7.216 -2.570 -1.772 1.00 24.04 H new ATOM 0 HA ASP A 3 7.428 -0.919 -4.097 1.00 2.21 H new ATOM 0 HB2 ASP A 3 9.357 -1.892 -1.964 1.00 20.41 H new ATOM 0 HB3 ASP A 3 9.889 -0.895 -3.303 1.00 20.41 H new ATOM 42 N ILE A 4 8.486 -3.982 -4.253 1.00 3.31 N ATOM 43 CA ILE A 4 9.026 -5.005 -5.139 1.00 72.43 C ATOM 44 C ILE A 4 8.174 -5.149 -6.396 1.00 33.23 C ATOM 45 O ILE A 4 8.683 -5.466 -7.471 1.00 41.30 O ATOM 46 CB ILE A 4 9.114 -6.371 -4.433 1.00 64.45 C ATOM 47 CG1 ILE A 4 9.579 -7.448 -5.416 1.00 20.30 C ATOM 48 CG2 ILE A 4 7.769 -6.743 -3.829 1.00 31.33 C ATOM 49 CD1 ILE A 4 10.502 -8.474 -4.796 1.00 41.02 C ATOM 0 H ILE A 4 8.090 -4.342 -3.385 1.00 3.31 H new ATOM 0 HA ILE A 4 10.030 -4.684 -5.418 1.00 72.43 H new ATOM 0 HB ILE A 4 9.845 -6.301 -3.627 1.00 64.45 H new ATOM 0 HG12 ILE A 4 8.706 -7.957 -5.825 1.00 20.30 H new ATOM 0 HG13 ILE A 4 10.090 -6.970 -6.252 1.00 20.30 H new ATOM 0 HG21 ILE A 4 7.848 -7.711 -3.334 1.00 31.33 H new ATOM 0 HG22 ILE A 4 7.475 -5.986 -3.102 1.00 31.33 H new ATOM 0 HG23 ILE A 4 7.019 -6.799 -4.618 1.00 31.33 H new ATOM 0 HD11 ILE A 4 10.791 -9.206 -5.550 1.00 41.02 H new ATOM 0 HD12 ILE A 4 11.393 -7.977 -4.412 1.00 41.02 H new ATOM 0 HD13 ILE A 4 9.988 -8.979 -3.979 1.00 41.02 H new ATOM 61 N TYR A 5 6.874 -4.913 -6.253 1.00 24.13 N ATOM 62 CA TYR A 5 5.951 -5.017 -7.376 1.00 14.10 C ATOM 63 C TYR A 5 5.922 -3.720 -8.180 1.00 23.53 C ATOM 64 O TYR A 5 5.938 -3.738 -9.411 1.00 31.23 O ATOM 65 CB TYR A 5 4.544 -5.352 -6.877 1.00 52.52 C ATOM 66 CG TYR A 5 4.412 -6.756 -6.334 1.00 22.43 C ATOM 67 CD1 TYR A 5 5.018 -7.830 -6.975 1.00 42.22 C ATOM 68 CD2 TYR A 5 3.682 -7.011 -5.180 1.00 15.42 C ATOM 69 CE1 TYR A 5 4.900 -9.115 -6.483 1.00 22.21 C ATOM 70 CE2 TYR A 5 3.559 -8.292 -4.680 1.00 25.45 C ATOM 71 CZ TYR A 5 4.170 -9.341 -5.335 1.00 23.34 C ATOM 72 OH TYR A 5 4.050 -10.620 -4.840 1.00 51.22 O ATOM 0 H TYR A 5 6.436 -4.649 -5.370 1.00 24.13 H new ATOM 0 HA TYR A 5 6.300 -5.819 -8.027 1.00 14.10 H new ATOM 0 HB2 TYR A 5 4.266 -4.643 -6.098 1.00 52.52 H new ATOM 0 HB3 TYR A 5 3.836 -5.220 -7.696 1.00 52.52 H new ATOM 0 HD1 TYR A 5 5.591 -7.657 -7.874 1.00 42.22 H new ATOM 0 HD2 TYR A 5 3.202 -6.192 -4.665 1.00 15.42 H new ATOM 0 HE1 TYR A 5 5.377 -9.938 -6.994 1.00 22.21 H new ATOM 0 HE2 TYR A 5 2.988 -8.472 -3.781 1.00 25.45 H new ATOM 0 HH TYR A 5 3.505 -10.606 -4.026 1.00 51.22 H new ATOM 82 N LYS A 6 5.881 -2.595 -7.474 1.00 63.40 N ATOM 83 CA LYS A 6 5.853 -1.288 -8.119 1.00 12.13 C ATOM 84 C LYS A 6 7.156 -1.021 -8.865 1.00 0.31 C ATOM 85 O LYS A 6 7.165 -0.352 -9.898 1.00 12.43 O ATOM 86 CB LYS A 6 5.613 -0.190 -7.080 1.00 50.43 C ATOM 87 CG LYS A 6 6.858 0.191 -6.298 1.00 64.34 C ATOM 88 CD LYS A 6 7.606 1.335 -6.963 1.00 21.44 C ATOM 89 CE LYS A 6 8.321 2.203 -5.938 1.00 72.43 C ATOM 90 NZ LYS A 6 8.998 3.367 -6.574 1.00 22.44 N ATOM 0 H LYS A 6 5.866 -2.562 -6.455 1.00 63.40 H new ATOM 0 HA LYS A 6 5.035 -1.283 -8.840 1.00 12.13 H new ATOM 0 HB2 LYS A 6 5.225 0.696 -7.583 1.00 50.43 H new ATOM 0 HB3 LYS A 6 4.844 -0.523 -6.383 1.00 50.43 H new ATOM 0 HG2 LYS A 6 6.578 0.478 -5.284 1.00 64.34 H new ATOM 0 HG3 LYS A 6 7.515 -0.675 -6.214 1.00 64.34 H new ATOM 0 HD2 LYS A 6 8.331 0.934 -7.671 1.00 21.44 H new ATOM 0 HD3 LYS A 6 6.906 1.946 -7.534 1.00 21.44 H new ATOM 0 HE2 LYS A 6 7.603 2.559 -5.199 1.00 72.43 H new ATOM 0 HE3 LYS A 6 9.057 1.602 -5.403 1.00 72.43 H new ATOM 0 HZ1 LYS A 6 9.474 3.934 -5.843 1.00 22.44 H new ATOM 0 HZ2 LYS A 6 9.701 3.027 -7.261 1.00 22.44 H new ATOM 0 HZ3 LYS A 6 8.293 3.954 -7.063 1.00 22.44 H new ATOM 104 N ALA A 7 8.255 -1.549 -8.336 1.00 33.21 N ATOM 105 CA ALA A 7 9.563 -1.370 -8.954 1.00 75.41 C ATOM 106 C ALA A 7 9.664 -2.151 -10.260 1.00 73.21 C ATOM 107 O ALA A 7 10.325 -1.719 -11.203 1.00 43.41 O ATOM 108 CB ALA A 7 10.663 -1.798 -7.994 1.00 71.44 C ATOM 0 H ALA A 7 8.265 -2.104 -7.481 1.00 33.21 H new ATOM 0 HA ALA A 7 9.688 -0.312 -9.183 1.00 75.41 H new ATOM 0 HB1 ALA A 7 11.634 -1.659 -8.468 1.00 71.44 H new ATOM 0 HB2 ALA A 7 10.611 -1.193 -7.089 1.00 71.44 H new ATOM 0 HB3 ALA A 7 10.532 -2.849 -7.736 1.00 71.44 H new ATOM 114 N ALA A 8 9.004 -3.304 -10.307 1.00 62.14 N ATOM 115 CA ALA A 8 9.019 -4.144 -11.498 1.00 64.43 C ATOM 116 C ALA A 8 8.243 -3.495 -12.639 1.00 2.43 C ATOM 117 O ALA A 8 8.724 -3.424 -13.770 1.00 23.33 O ATOM 118 CB ALA A 8 8.446 -5.518 -11.182 1.00 40.14 C ATOM 0 H ALA A 8 8.453 -3.677 -9.534 1.00 62.14 H new ATOM 0 HA ALA A 8 10.055 -4.259 -11.818 1.00 64.43 H new ATOM 0 HB1 ALA A 8 8.463 -6.135 -12.080 1.00 40.14 H new ATOM 0 HB2 ALA A 8 9.045 -5.992 -10.405 1.00 40.14 H new ATOM 0 HB3 ALA A 8 7.418 -5.412 -10.834 1.00 40.14 H new ATOM 124 N VAL A 9 7.039 -3.021 -12.334 1.00 71.04 N ATOM 125 CA VAL A 9 6.196 -2.376 -13.334 1.00 71.52 C ATOM 126 C VAL A 9 6.845 -1.102 -13.861 1.00 42.24 C ATOM 127 O VAL A 9 6.668 -0.739 -15.024 1.00 1.23 O ATOM 128 CB VAL A 9 4.808 -2.033 -12.761 1.00 70.42 C ATOM 129 CG1 VAL A 9 3.979 -3.295 -12.578 1.00 30.42 C ATOM 130 CG2 VAL A 9 4.946 -1.281 -11.447 1.00 0.54 C ATOM 0 H VAL A 9 6.626 -3.072 -11.403 1.00 71.04 H new ATOM 0 HA VAL A 9 6.078 -3.085 -14.153 1.00 71.52 H new ATOM 0 HB VAL A 9 4.291 -1.387 -13.470 1.00 70.42 H new ATOM 0 HG11 VAL A 9 3.002 -3.033 -12.172 1.00 30.42 H new ATOM 0 HG12 VAL A 9 3.851 -3.789 -13.541 1.00 30.42 H new ATOM 0 HG13 VAL A 9 4.489 -3.969 -11.889 1.00 30.42 H new ATOM 0 HG21 VAL A 9 3.956 -1.047 -11.056 1.00 0.54 H new ATOM 0 HG22 VAL A 9 5.483 -1.900 -10.728 1.00 0.54 H new ATOM 0 HG23 VAL A 9 5.499 -0.356 -11.613 1.00 0.54 H new ATOM 140 N GLU A 10 7.598 -0.427 -12.998 1.00 62.03 N ATOM 141 CA GLU A 10 8.274 0.808 -13.378 1.00 11.11 C ATOM 142 C GLU A 10 9.340 0.542 -14.437 1.00 33.10 C ATOM 143 O GLU A 10 9.731 1.443 -15.178 1.00 53.11 O ATOM 144 CB GLU A 10 8.911 1.465 -12.151 1.00 72.24 C ATOM 145 CG GLU A 10 7.991 2.441 -11.437 1.00 44.23 C ATOM 146 CD GLU A 10 8.666 3.765 -11.137 1.00 45.54 C ATOM 147 OE1 GLU A 10 9.775 3.749 -10.562 1.00 71.41 O ATOM 148 OE2 GLU A 10 8.087 4.818 -11.477 1.00 60.03 O ATOM 0 H GLU A 10 7.755 -0.714 -12.032 1.00 62.03 H new ATOM 0 HA GLU A 10 7.530 1.484 -13.799 1.00 11.11 H new ATOM 0 HB2 GLU A 10 9.216 0.688 -11.450 1.00 72.24 H new ATOM 0 HB3 GLU A 10 9.815 1.990 -12.459 1.00 72.24 H new ATOM 0 HG2 GLU A 10 7.108 2.618 -12.051 1.00 44.23 H new ATOM 0 HG3 GLU A 10 7.646 1.994 -10.505 1.00 44.23 H new ATOM 155 N GLN A 11 9.805 -0.702 -14.500 1.00 52.44 N ATOM 156 CA GLN A 11 10.826 -1.086 -15.467 1.00 61.24 C ATOM 157 C GLN A 11 10.191 -1.558 -16.771 1.00 61.12 C ATOM 158 O GLN A 11 10.884 -2.013 -17.683 1.00 12.14 O ATOM 159 CB GLN A 11 11.715 -2.190 -14.891 1.00 11.54 C ATOM 160 CG GLN A 11 12.172 -1.920 -13.466 1.00 42.01 C ATOM 161 CD GLN A 11 13.672 -2.064 -13.298 1.00 11.34 C ATOM 162 OE1 GLN A 11 14.143 -2.801 -12.431 1.00 60.34 O ATOM 163 NE2 GLN A 11 14.431 -1.358 -14.127 1.00 45.30 N ATOM 0 H GLN A 11 9.491 -1.460 -13.894 1.00 52.44 H new ATOM 0 HA GLN A 11 11.438 -0.209 -15.678 1.00 61.24 H new ATOM 0 HB2 GLN A 11 11.171 -3.134 -14.917 1.00 11.54 H new ATOM 0 HB3 GLN A 11 12.591 -2.310 -15.528 1.00 11.54 H new ATOM 0 HG2 GLN A 11 11.873 -0.912 -13.177 1.00 42.01 H new ATOM 0 HG3 GLN A 11 11.666 -2.609 -12.789 1.00 42.01 H new ATOM 0 HE21 GLN A 11 13.998 -0.760 -14.831 1.00 45.30 H new ATOM 0 HE22 GLN A 11 15.447 -1.414 -14.060 1.00 45.30 H new ATOM 172 N LEU A 12 8.870 -1.448 -16.854 1.00 11.42 N ATOM 173 CA LEU A 12 8.140 -1.863 -18.047 1.00 24.43 C ATOM 174 C LEU A 12 8.448 -0.941 -19.222 1.00 54.00 C ATOM 175 O LEU A 12 9.073 0.107 -19.057 1.00 23.24 O ATOM 176 CB LEU A 12 6.636 -1.873 -17.771 1.00 32.10 C ATOM 177 CG LEU A 12 6.134 -2.961 -16.821 1.00 65.52 C ATOM 178 CD1 LEU A 12 4.734 -2.634 -16.326 1.00 62.40 C ATOM 179 CD2 LEU A 12 6.156 -4.319 -17.508 1.00 33.55 C ATOM 0 H LEU A 12 8.282 -1.075 -16.109 1.00 11.42 H new ATOM 0 HA LEU A 12 8.461 -2.872 -18.307 1.00 24.43 H new ATOM 0 HB2 LEU A 12 6.356 -0.903 -17.360 1.00 32.10 H new ATOM 0 HB3 LEU A 12 6.113 -1.980 -18.722 1.00 32.10 H new ATOM 0 HG LEU A 12 6.801 -3.001 -15.959 1.00 65.52 H new ATOM 0 HD11 LEU A 12 4.394 -3.420 -15.651 1.00 62.40 H new ATOM 0 HD12 LEU A 12 4.749 -1.682 -15.796 1.00 62.40 H new ATOM 0 HD13 LEU A 12 4.054 -2.566 -17.175 1.00 62.40 H new ATOM 0 HD21 LEU A 12 5.796 -5.082 -16.818 1.00 33.55 H new ATOM 0 HD22 LEU A 12 5.513 -4.292 -18.387 1.00 33.55 H new ATOM 0 HD23 LEU A 12 7.176 -4.557 -17.811 1.00 33.55 H new ATOM 191 N THR A 13 8.001 -1.336 -20.410 1.00 64.24 N ATOM 192 CA THR A 13 8.227 -0.545 -21.613 1.00 64.14 C ATOM 193 C THR A 13 7.153 0.523 -21.779 1.00 15.11 C ATOM 194 O THR A 13 6.032 0.369 -21.294 1.00 61.33 O ATOM 195 CB THR A 13 8.252 -1.432 -22.873 1.00 11.04 C ATOM 196 OG1 THR A 13 8.212 -2.814 -22.499 1.00 53.24 O ATOM 197 CG2 THR A 13 9.499 -1.161 -23.701 1.00 32.21 C ATOM 0 H THR A 13 7.480 -2.199 -20.565 1.00 64.24 H new ATOM 0 HA THR A 13 9.198 -0.064 -21.497 1.00 64.14 H new ATOM 0 HB THR A 13 7.376 -1.194 -23.476 1.00 11.04 H new ATOM 0 HG1 THR A 13 8.226 -3.372 -23.305 1.00 53.24 H new ATOM 0 HG21 THR A 13 9.494 -1.799 -24.585 1.00 32.21 H new ATOM 0 HG22 THR A 13 9.512 -0.115 -24.008 1.00 32.21 H new ATOM 0 HG23 THR A 13 10.386 -1.375 -23.104 1.00 32.21 H new ATOM 205 N GLU A 14 7.502 1.606 -22.467 1.00 35.30 N ATOM 206 CA GLU A 14 6.565 2.700 -22.696 1.00 32.44 C ATOM 207 C GLU A 14 5.240 2.176 -23.243 1.00 42.02 C ATOM 208 O GLU A 14 4.169 2.572 -22.786 1.00 74.01 O ATOM 209 CB GLU A 14 7.164 3.719 -23.667 1.00 73.21 C ATOM 210 CG GLU A 14 8.486 4.303 -23.198 1.00 34.01 C ATOM 211 CD GLU A 14 8.303 5.471 -22.249 1.00 10.42 C ATOM 212 OE1 GLU A 14 7.766 6.511 -22.685 1.00 45.35 O ATOM 213 OE2 GLU A 14 8.696 5.346 -21.070 1.00 44.44 O ATOM 0 H GLU A 14 8.426 1.749 -22.875 1.00 35.30 H new ATOM 0 HA GLU A 14 6.375 3.188 -21.740 1.00 32.44 H new ATOM 0 HB2 GLU A 14 7.311 3.242 -24.636 1.00 73.21 H new ATOM 0 HB3 GLU A 14 6.451 4.530 -23.815 1.00 73.21 H new ATOM 0 HG2 GLU A 14 9.067 3.525 -22.703 1.00 34.01 H new ATOM 0 HG3 GLU A 14 9.062 4.630 -24.064 1.00 34.01 H new ATOM 220 N GLU A 15 5.324 1.284 -24.226 1.00 13.25 N ATOM 221 CA GLU A 15 4.132 0.708 -24.836 1.00 73.43 C ATOM 222 C GLU A 15 3.402 -0.202 -23.852 1.00 60.33 C ATOM 223 O GLU A 15 2.173 -0.259 -23.839 1.00 12.33 O ATOM 224 CB GLU A 15 4.506 -0.079 -26.094 1.00 71.22 C ATOM 225 CG GLU A 15 5.280 -1.354 -25.807 1.00 24.34 C ATOM 226 CD GLU A 15 6.196 -1.751 -26.948 1.00 42.23 C ATOM 227 OE1 GLU A 15 5.748 -1.699 -28.113 1.00 32.11 O ATOM 228 OE2 GLU A 15 7.360 -2.113 -26.678 1.00 2.42 O ATOM 0 H GLU A 15 6.204 0.946 -24.616 1.00 13.25 H new ATOM 0 HA GLU A 15 3.465 1.525 -25.111 1.00 73.43 H new ATOM 0 HB2 GLU A 15 3.596 -0.331 -26.638 1.00 71.22 H new ATOM 0 HB3 GLU A 15 5.102 0.558 -26.747 1.00 71.22 H new ATOM 0 HG2 GLU A 15 5.872 -1.219 -24.901 1.00 24.34 H new ATOM 0 HG3 GLU A 15 4.578 -2.164 -25.611 1.00 24.34 H new ATOM 235 N GLN A 16 4.169 -0.912 -23.032 1.00 22.45 N ATOM 236 CA GLN A 16 3.596 -1.821 -22.045 1.00 51.43 C ATOM 237 C GLN A 16 2.686 -1.070 -21.078 1.00 71.34 C ATOM 238 O GLN A 16 1.534 -1.452 -20.870 1.00 1.02 O ATOM 239 CB GLN A 16 4.706 -2.533 -21.271 1.00 2.13 C ATOM 240 CG GLN A 16 5.456 -3.567 -22.095 1.00 43.41 C ATOM 241 CD GLN A 16 4.539 -4.618 -22.688 1.00 51.30 C ATOM 242 OE1 GLN A 16 4.018 -5.477 -21.976 1.00 13.51 O ATOM 243 NE2 GLN A 16 4.336 -4.555 -23.999 1.00 21.41 N ATOM 0 H GLN A 16 5.188 -0.876 -23.031 1.00 22.45 H new ATOM 0 HA GLN A 16 2.999 -2.563 -22.575 1.00 51.43 H new ATOM 0 HB2 GLN A 16 5.414 -1.791 -20.903 1.00 2.13 H new ATOM 0 HB3 GLN A 16 4.273 -3.021 -20.398 1.00 2.13 H new ATOM 0 HG2 GLN A 16 5.994 -3.065 -22.899 1.00 43.41 H new ATOM 0 HG3 GLN A 16 6.202 -4.054 -21.468 1.00 43.41 H new ATOM 0 HE21 GLN A 16 4.788 -3.826 -24.551 1.00 21.41 H new ATOM 0 HE22 GLN A 16 3.728 -5.236 -24.454 1.00 21.41 H new ATOM 252 N LYS A 17 3.210 -0.001 -20.490 1.00 2.33 N ATOM 253 CA LYS A 17 2.446 0.805 -19.545 1.00 31.01 C ATOM 254 C LYS A 17 1.141 1.286 -20.171 1.00 40.32 C ATOM 255 O LYS A 17 0.110 1.357 -19.504 1.00 22.45 O ATOM 256 CB LYS A 17 3.274 2.005 -19.080 1.00 12.03 C ATOM 257 CG LYS A 17 4.468 1.624 -18.222 1.00 12.25 C ATOM 258 CD LYS A 17 4.050 1.302 -16.797 1.00 22.14 C ATOM 259 CE LYS A 17 5.171 1.588 -15.809 1.00 63.51 C ATOM 260 NZ LYS A 17 5.147 2.999 -15.336 1.00 44.42 N ATOM 0 H LYS A 17 4.162 0.328 -20.651 1.00 2.33 H new ATOM 0 HA LYS A 17 2.207 0.181 -18.684 1.00 31.01 H new ATOM 0 HB2 LYS A 17 3.625 2.554 -19.954 1.00 12.03 H new ATOM 0 HB3 LYS A 17 2.633 2.682 -18.515 1.00 12.03 H new ATOM 0 HG2 LYS A 17 4.970 0.761 -18.659 1.00 12.25 H new ATOM 0 HG3 LYS A 17 5.188 2.442 -18.215 1.00 12.25 H new ATOM 0 HD2 LYS A 17 3.172 1.891 -16.533 1.00 22.14 H new ATOM 0 HD3 LYS A 17 3.763 0.253 -16.729 1.00 22.14 H new ATOM 0 HE2 LYS A 17 5.082 0.917 -14.955 1.00 63.51 H new ATOM 0 HE3 LYS A 17 6.132 1.379 -16.279 1.00 63.51 H new ATOM 0 HZ1 LYS A 17 5.926 3.153 -14.665 1.00 44.42 H new ATOM 0 HZ2 LYS A 17 5.258 3.639 -16.148 1.00 44.42 H new ATOM 0 HZ3 LYS A 17 4.240 3.192 -14.864 1.00 44.42 H new ATOM 274 N ASN A 18 1.194 1.615 -21.458 1.00 15.31 N ATOM 275 CA ASN A 18 0.015 2.089 -22.174 1.00 51.13 C ATOM 276 C ASN A 18 -0.974 0.951 -22.407 1.00 15.24 C ATOM 277 O ASN A 18 -2.174 1.180 -22.554 1.00 74.02 O ATOM 278 CB ASN A 18 0.421 2.708 -23.513 1.00 51.23 C ATOM 279 CG ASN A 18 0.622 4.208 -23.419 1.00 41.34 C ATOM 280 OD1 ASN A 18 -0.238 4.931 -22.915 1.00 63.30 O ATOM 281 ND2 ASN A 18 1.762 4.684 -23.907 1.00 23.24 N ATOM 0 H ASN A 18 2.040 1.562 -22.026 1.00 15.31 H new ATOM 0 HA ASN A 18 -0.470 2.849 -21.562 1.00 51.13 H new ATOM 0 HB2 ASN A 18 1.343 2.242 -23.861 1.00 51.23 H new ATOM 0 HB3 ASN A 18 -0.346 2.493 -24.257 1.00 51.23 H new ATOM 0 HD21 ASN A 18 1.953 5.685 -23.873 1.00 23.24 H new ATOM 0 HD22 ASN A 18 2.447 4.048 -24.316 1.00 23.24 H new ATOM 288 N GLU A 19 -0.461 -0.275 -22.437 1.00 15.11 N ATOM 289 CA GLU A 19 -1.300 -1.448 -22.651 1.00 74.13 C ATOM 290 C GLU A 19 -2.247 -1.662 -21.474 1.00 75.31 C ATOM 291 O GLU A 19 -3.468 -1.665 -21.637 1.00 42.12 O ATOM 292 CB GLU A 19 -0.433 -2.692 -22.855 1.00 73.24 C ATOM 293 CG GLU A 19 -0.622 -3.350 -24.212 1.00 33.00 C ATOM 294 CD GLU A 19 -1.096 -4.786 -24.103 1.00 31.31 C ATOM 295 OE1 GLU A 19 -2.289 -4.995 -23.797 1.00 60.25 O ATOM 296 OE2 GLU A 19 -0.275 -5.701 -24.322 1.00 42.15 O ATOM 0 H GLU A 19 0.531 -0.481 -22.316 1.00 15.11 H new ATOM 0 HA GLU A 19 -1.896 -1.278 -23.548 1.00 74.13 H new ATOM 0 HB2 GLU A 19 0.615 -2.417 -22.737 1.00 73.24 H new ATOM 0 HB3 GLU A 19 -0.663 -3.417 -22.074 1.00 73.24 H new ATOM 0 HG2 GLU A 19 -1.344 -2.776 -24.792 1.00 33.00 H new ATOM 0 HG3 GLU A 19 0.320 -3.323 -24.759 1.00 33.00 H new ATOM 303 N PHE A 20 -1.676 -1.842 -20.288 1.00 31.41 N ATOM 304 CA PHE A 20 -2.468 -2.059 -19.083 1.00 31.22 C ATOM 305 C PHE A 20 -3.279 -0.815 -18.733 1.00 43.45 C ATOM 306 O PHE A 20 -4.387 -0.909 -18.205 1.00 4.12 O ATOM 307 CB PHE A 20 -1.560 -2.436 -17.911 1.00 5.43 C ATOM 308 CG PHE A 20 -1.070 -1.251 -17.127 1.00 61.15 C ATOM 309 CD1 PHE A 20 -1.810 -0.749 -16.069 1.00 74.43 C ATOM 310 CD2 PHE A 20 0.131 -0.639 -17.450 1.00 33.11 C ATOM 311 CE1 PHE A 20 -1.362 0.340 -15.346 1.00 55.23 C ATOM 312 CE2 PHE A 20 0.584 0.450 -16.730 1.00 52.32 C ATOM 313 CZ PHE A 20 -0.164 0.941 -15.678 1.00 52.40 C ATOM 0 H PHE A 20 -0.667 -1.842 -20.135 1.00 31.41 H new ATOM 0 HA PHE A 20 -3.159 -2.879 -19.276 1.00 31.22 H new ATOM 0 HB2 PHE A 20 -2.102 -3.105 -17.242 1.00 5.43 H new ATOM 0 HB3 PHE A 20 -0.702 -2.991 -18.290 1.00 5.43 H new ATOM 0 HD1 PHE A 20 -2.748 -1.214 -15.806 1.00 74.43 H new ATOM 0 HD2 PHE A 20 0.719 -1.017 -18.273 1.00 33.11 H new ATOM 0 HE1 PHE A 20 -1.948 0.721 -14.522 1.00 55.23 H new ATOM 0 HE2 PHE A 20 1.523 0.917 -16.990 1.00 52.32 H new ATOM 0 HZ PHE A 20 0.187 1.794 -15.116 1.00 52.40 H new ATOM 323 N LYS A 21 -2.718 0.352 -19.032 1.00 40.43 N ATOM 324 CA LYS A 21 -3.387 1.617 -18.752 1.00 4.35 C ATOM 325 C LYS A 21 -4.715 1.708 -19.496 1.00 64.15 C ATOM 326 O LYS A 21 -5.724 2.133 -18.935 1.00 60.23 O ATOM 327 CB LYS A 21 -2.488 2.791 -19.145 1.00 44.55 C ATOM 328 CG LYS A 21 -3.091 4.150 -18.835 1.00 51.31 C ATOM 329 CD LYS A 21 -3.892 4.686 -20.010 1.00 43.41 C ATOM 330 CE LYS A 21 -4.079 6.193 -19.916 1.00 63.11 C ATOM 331 NZ LYS A 21 -5.070 6.565 -18.869 1.00 31.52 N ATOM 0 H LYS A 21 -1.801 0.448 -19.468 1.00 40.43 H new ATOM 0 HA LYS A 21 -3.588 1.663 -17.682 1.00 4.35 H new ATOM 0 HB2 LYS A 21 -1.535 2.698 -18.624 1.00 44.55 H new ATOM 0 HB3 LYS A 21 -2.274 2.733 -20.212 1.00 44.55 H new ATOM 0 HG2 LYS A 21 -3.736 4.072 -17.960 1.00 51.31 H new ATOM 0 HG3 LYS A 21 -2.297 4.853 -18.584 1.00 51.31 H new ATOM 0 HD2 LYS A 21 -3.383 4.439 -20.942 1.00 43.41 H new ATOM 0 HD3 LYS A 21 -4.866 4.199 -20.040 1.00 43.41 H new ATOM 0 HE2 LYS A 21 -3.122 6.664 -19.694 1.00 63.11 H new ATOM 0 HE3 LYS A 21 -4.408 6.579 -20.881 1.00 63.11 H new ATOM 0 HZ1 LYS A 21 -5.169 7.600 -18.837 1.00 31.52 H new ATOM 0 HZ2 LYS A 21 -5.990 6.136 -19.094 1.00 31.52 H new ATOM 0 HZ3 LYS A 21 -4.744 6.219 -17.944 1.00 31.52 H new ATOM 345 N ALA A 22 -4.706 1.304 -20.763 1.00 13.33 N ATOM 346 CA ALA A 22 -5.911 1.337 -21.583 1.00 21.23 C ATOM 347 C ALA A 22 -6.986 0.416 -21.016 1.00 21.22 C ATOM 348 O ALA A 22 -8.168 0.758 -21.007 1.00 70.43 O ATOM 349 CB ALA A 22 -5.584 0.949 -23.017 1.00 64.11 C ATOM 0 H ALA A 22 -3.878 0.950 -21.243 1.00 13.33 H new ATOM 0 HA ALA A 22 -6.300 2.355 -21.573 1.00 21.23 H new ATOM 0 HB1 ALA A 22 -6.493 0.978 -23.618 1.00 64.11 H new ATOM 0 HB2 ALA A 22 -4.856 1.649 -23.426 1.00 64.11 H new ATOM 0 HB3 ALA A 22 -5.169 -0.059 -23.036 1.00 64.11 H new ATOM 355 N ALA A 23 -6.568 -0.754 -20.544 1.00 4.03 N ATOM 356 CA ALA A 23 -7.495 -1.724 -19.974 1.00 1.40 C ATOM 357 C ALA A 23 -8.204 -1.152 -18.751 1.00 21.11 C ATOM 358 O ALA A 23 -9.334 -1.530 -18.443 1.00 74.31 O ATOM 359 CB ALA A 23 -6.760 -3.005 -19.610 1.00 34.33 C ATOM 0 H ALA A 23 -5.593 -1.053 -20.545 1.00 4.03 H new ATOM 0 HA ALA A 23 -8.251 -1.953 -20.725 1.00 1.40 H new ATOM 0 HB1 ALA A 23 -7.464 -3.720 -19.185 1.00 34.33 H new ATOM 0 HB2 ALA A 23 -6.305 -3.430 -20.505 1.00 34.33 H new ATOM 0 HB3 ALA A 23 -5.983 -2.783 -18.879 1.00 34.33 H new ATOM 365 N PHE A 24 -7.533 -0.239 -18.056 1.00 63.52 N ATOM 366 CA PHE A 24 -8.098 0.383 -16.865 1.00 54.32 C ATOM 367 C PHE A 24 -9.357 1.174 -17.210 1.00 72.44 C ATOM 368 O PHE A 24 -10.299 1.238 -16.420 1.00 41.10 O ATOM 369 CB PHE A 24 -7.069 1.304 -16.207 1.00 43.33 C ATOM 370 CG PHE A 24 -7.567 1.960 -14.951 1.00 50.24 C ATOM 371 CD1 PHE A 24 -7.617 1.256 -13.759 1.00 75.03 C ATOM 372 CD2 PHE A 24 -7.986 3.281 -14.963 1.00 44.11 C ATOM 373 CE1 PHE A 24 -8.075 1.857 -12.602 1.00 31.34 C ATOM 374 CE2 PHE A 24 -8.444 3.887 -13.809 1.00 2.14 C ATOM 375 CZ PHE A 24 -8.490 3.174 -12.627 1.00 22.23 C ATOM 0 H PHE A 24 -6.597 0.086 -18.298 1.00 63.52 H new ATOM 0 HA PHE A 24 -8.367 -0.409 -16.165 1.00 54.32 H new ATOM 0 HB2 PHE A 24 -6.173 0.728 -15.976 1.00 43.33 H new ATOM 0 HB3 PHE A 24 -6.776 2.076 -16.919 1.00 43.33 H new ATOM 0 HD1 PHE A 24 -7.294 0.226 -13.734 1.00 75.03 H new ATOM 0 HD2 PHE A 24 -7.954 3.843 -15.885 1.00 44.11 H new ATOM 0 HE1 PHE A 24 -8.108 1.297 -11.679 1.00 31.34 H new ATOM 0 HE2 PHE A 24 -8.766 4.918 -13.831 1.00 2.14 H new ATOM 0 HZ PHE A 24 -8.850 3.645 -11.724 1.00 22.23 H new ATOM 385 N ASP A 25 -9.365 1.774 -18.396 1.00 31.44 N ATOM 386 CA ASP A 25 -10.507 2.560 -18.847 1.00 34.21 C ATOM 387 C ASP A 25 -11.726 1.670 -19.068 1.00 74.41 C ATOM 388 O ASP A 25 -12.832 1.997 -18.636 1.00 73.54 O ATOM 389 CB ASP A 25 -10.163 3.304 -20.138 1.00 12.32 C ATOM 390 CG ASP A 25 -11.343 4.079 -20.691 1.00 43.43 C ATOM 391 OD1 ASP A 25 -12.149 3.482 -21.433 1.00 74.54 O ATOM 392 OD2 ASP A 25 -11.459 5.284 -20.383 1.00 44.30 O ATOM 0 H ASP A 25 -8.593 1.731 -19.062 1.00 31.44 H new ATOM 0 HA ASP A 25 -10.746 3.287 -18.070 1.00 34.21 H new ATOM 0 HB2 ASP A 25 -9.337 3.990 -19.950 1.00 12.32 H new ATOM 0 HB3 ASP A 25 -9.819 2.589 -20.885 1.00 12.32 H new ATOM 397 N ILE A 26 -11.516 0.545 -19.744 1.00 35.13 N ATOM 398 CA ILE A 26 -12.598 -0.392 -20.022 1.00 11.30 C ATOM 399 C ILE A 26 -13.119 -1.028 -18.738 1.00 5.25 C ATOM 400 O ILE A 26 -14.290 -1.395 -18.644 1.00 50.12 O ATOM 401 CB ILE A 26 -12.145 -1.504 -20.986 1.00 33.53 C ATOM 402 CG1 ILE A 26 -11.668 -0.901 -22.308 1.00 41.21 C ATOM 403 CG2 ILE A 26 -13.279 -2.491 -21.226 1.00 4.31 C ATOM 404 CD1 ILE A 26 -10.162 -0.833 -22.433 1.00 21.23 C ATOM 0 H ILE A 26 -10.607 0.260 -20.109 1.00 35.13 H new ATOM 0 HA ILE A 26 -13.398 0.180 -20.491 1.00 11.30 H new ATOM 0 HB ILE A 26 -11.312 -2.040 -20.532 1.00 33.53 H new ATOM 0 HG12 ILE A 26 -12.066 -1.492 -23.132 1.00 41.21 H new ATOM 0 HG13 ILE A 26 -12.079 0.104 -22.409 1.00 41.21 H new ATOM 0 HG21 ILE A 26 -12.944 -3.271 -21.909 1.00 4.31 H new ATOM 0 HG22 ILE A 26 -13.576 -2.941 -20.279 1.00 4.31 H new ATOM 0 HG23 ILE A 26 -14.130 -1.968 -21.662 1.00 4.31 H new ATOM 0 HD11 ILE A 26 -9.896 -0.395 -23.395 1.00 21.23 H new ATOM 0 HD12 ILE A 26 -9.758 -0.217 -21.630 1.00 21.23 H new ATOM 0 HD13 ILE A 26 -9.745 -1.838 -22.365 1.00 21.23 H new ATOM 416 N PHE A 27 -12.240 -1.154 -17.748 1.00 53.22 N ATOM 417 CA PHE A 27 -12.611 -1.745 -16.468 1.00 1.04 C ATOM 418 C PHE A 27 -13.402 -0.753 -15.619 1.00 65.33 C ATOM 419 O PHE A 27 -14.369 -1.122 -14.952 1.00 45.05 O ATOM 420 CB PHE A 27 -11.361 -2.198 -15.710 1.00 60.33 C ATOM 421 CG PHE A 27 -10.883 -3.566 -16.107 1.00 45.43 C ATOM 422 CD1 PHE A 27 -10.716 -3.895 -17.443 1.00 33.33 C ATOM 423 CD2 PHE A 27 -10.600 -4.521 -15.145 1.00 24.42 C ATOM 424 CE1 PHE A 27 -10.276 -5.153 -17.811 1.00 42.54 C ATOM 425 CE2 PHE A 27 -10.158 -5.780 -15.507 1.00 55.05 C ATOM 426 CZ PHE A 27 -9.998 -6.096 -16.842 1.00 64.43 C ATOM 0 H PHE A 27 -11.267 -0.855 -17.808 1.00 53.22 H new ATOM 0 HA PHE A 27 -13.242 -2.611 -16.666 1.00 1.04 H new ATOM 0 HB2 PHE A 27 -10.561 -1.478 -15.882 1.00 60.33 H new ATOM 0 HB3 PHE A 27 -11.572 -2.191 -14.641 1.00 60.33 H new ATOM 0 HD1 PHE A 27 -10.932 -3.161 -18.205 1.00 33.33 H new ATOM 0 HD2 PHE A 27 -10.726 -4.280 -14.100 1.00 24.42 H new ATOM 0 HE1 PHE A 27 -10.150 -5.398 -18.855 1.00 42.54 H new ATOM 0 HE2 PHE A 27 -9.938 -6.515 -14.747 1.00 55.05 H new ATOM 0 HZ PHE A 27 -9.656 -7.080 -17.127 1.00 64.43 H new ATOM 436 N VAL A 28 -12.982 0.508 -15.649 1.00 75.13 N ATOM 437 CA VAL A 28 -13.651 1.554 -14.884 1.00 63.14 C ATOM 438 C VAL A 28 -14.841 2.120 -15.651 1.00 21.13 C ATOM 439 O VAL A 28 -15.469 3.087 -15.218 1.00 34.34 O ATOM 440 CB VAL A 28 -12.683 2.702 -14.539 1.00 75.23 C ATOM 441 CG1 VAL A 28 -11.463 2.169 -13.804 1.00 14.35 C ATOM 442 CG2 VAL A 28 -12.273 3.449 -15.799 1.00 65.43 C ATOM 0 H VAL A 28 -12.182 0.830 -16.194 1.00 75.13 H new ATOM 0 HA VAL A 28 -14.003 1.095 -13.960 1.00 63.14 H new ATOM 0 HB VAL A 28 -13.197 3.402 -13.880 1.00 75.23 H new ATOM 0 HG11 VAL A 28 -10.791 2.994 -13.569 1.00 14.35 H new ATOM 0 HG12 VAL A 28 -11.778 1.683 -12.881 1.00 14.35 H new ATOM 0 HG13 VAL A 28 -10.944 1.447 -14.435 1.00 14.35 H new ATOM 0 HG21 VAL A 28 -11.589 4.256 -15.537 1.00 65.43 H new ATOM 0 HG22 VAL A 28 -11.777 2.762 -16.484 1.00 65.43 H new ATOM 0 HG23 VAL A 28 -13.158 3.865 -16.280 1.00 65.43 H new ATOM 452 N LEU A 29 -15.146 1.512 -16.791 1.00 73.54 N ATOM 453 CA LEU A 29 -16.263 1.954 -17.620 1.00 2.15 C ATOM 454 C LEU A 29 -17.549 2.031 -16.803 1.00 51.24 C ATOM 455 O LEU A 29 -18.451 2.807 -17.118 1.00 64.12 O ATOM 456 CB LEU A 29 -16.453 1.005 -18.804 1.00 22.32 C ATOM 457 CG LEU A 29 -15.764 1.411 -20.107 1.00 53.32 C ATOM 458 CD1 LEU A 29 -15.909 0.315 -21.152 1.00 11.53 C ATOM 459 CD2 LEU A 29 -16.335 2.723 -20.625 1.00 54.32 C ATOM 0 H LEU A 29 -14.636 0.711 -17.163 1.00 73.54 H new ATOM 0 HA LEU A 29 -16.032 2.951 -17.996 1.00 2.15 H new ATOM 0 HB2 LEU A 29 -16.089 0.019 -18.516 1.00 22.32 H new ATOM 0 HB3 LEU A 29 -17.521 0.906 -18.997 1.00 22.32 H new ATOM 0 HG LEU A 29 -14.702 1.554 -19.905 1.00 53.32 H new ATOM 0 HD11 LEU A 29 -15.412 0.622 -22.072 1.00 11.53 H new ATOM 0 HD12 LEU A 29 -15.452 -0.603 -20.782 1.00 11.53 H new ATOM 0 HD13 LEU A 29 -16.966 0.140 -21.351 1.00 11.53 H new ATOM 0 HD21 LEU A 29 -15.833 2.997 -21.553 1.00 54.32 H new ATOM 0 HD22 LEU A 29 -17.403 2.607 -20.810 1.00 54.32 H new ATOM 0 HD23 LEU A 29 -16.179 3.506 -19.883 1.00 54.32 H new ATOM 471 N GLY A 30 -17.626 1.222 -15.751 1.00 61.11 N ATOM 472 CA GLY A 30 -18.805 1.216 -14.905 1.00 24.54 C ATOM 473 C GLY A 30 -18.628 2.060 -13.658 1.00 50.35 C ATOM 474 O GLY A 30 -19.102 1.698 -12.582 1.00 73.24 O ATOM 0 H GLY A 30 -16.893 0.571 -15.470 1.00 61.11 H new ATOM 0 HA2 GLY A 30 -19.658 1.587 -15.473 1.00 24.54 H new ATOM 0 HA3 GLY A 30 -19.036 0.191 -14.616 1.00 24.54 H new ATOM 478 N ALA A 31 -17.942 3.189 -13.803 1.00 52.42 N ATOM 479 CA ALA A 31 -17.704 4.088 -12.680 1.00 73.05 C ATOM 480 C ALA A 31 -17.248 5.461 -13.163 1.00 61.31 C ATOM 481 O ALA A 31 -16.099 5.636 -13.566 1.00 63.24 O ATOM 482 CB ALA A 31 -16.674 3.489 -11.735 1.00 3.44 C ATOM 0 H ALA A 31 -17.541 3.503 -14.687 1.00 52.42 H new ATOM 0 HA ALA A 31 -18.643 4.215 -12.142 1.00 73.05 H new ATOM 0 HB1 ALA A 31 -16.506 4.170 -10.901 1.00 3.44 H new ATOM 0 HB2 ALA A 31 -17.040 2.535 -11.356 1.00 3.44 H new ATOM 0 HB3 ALA A 31 -15.737 3.332 -12.270 1.00 3.44 H new ATOM 488 N GLU A 32 -18.156 6.430 -13.119 1.00 52.43 N ATOM 489 CA GLU A 32 -17.846 7.787 -13.554 1.00 4.20 C ATOM 490 C GLU A 32 -16.647 8.342 -12.790 1.00 13.54 C ATOM 491 O GLU A 32 -15.925 9.206 -13.288 1.00 54.23 O ATOM 492 CB GLU A 32 -19.058 8.700 -13.357 1.00 22.24 C ATOM 493 CG GLU A 32 -20.297 8.236 -14.104 1.00 42.31 C ATOM 494 CD GLU A 32 -20.222 8.523 -15.591 1.00 55.42 C ATOM 495 OE1 GLU A 32 -19.692 9.591 -15.963 1.00 12.53 O ATOM 496 OE2 GLU A 32 -20.694 7.681 -16.383 1.00 14.20 O ATOM 0 H GLU A 32 -19.112 6.301 -12.787 1.00 52.43 H new ATOM 0 HA GLU A 32 -17.596 7.753 -14.614 1.00 4.20 H new ATOM 0 HB2 GLU A 32 -19.287 8.761 -12.293 1.00 22.24 H new ATOM 0 HB3 GLU A 32 -18.801 9.707 -13.686 1.00 22.24 H new ATOM 0 HG2 GLU A 32 -20.430 7.165 -13.951 1.00 42.31 H new ATOM 0 HG3 GLU A 32 -21.175 8.729 -13.686 1.00 42.31 H new ATOM 503 N ASP A 33 -16.443 7.841 -11.577 1.00 21.14 N ATOM 504 CA ASP A 33 -15.332 8.286 -10.742 1.00 74.55 C ATOM 505 C ASP A 33 -14.005 7.763 -11.282 1.00 25.24 C ATOM 506 O ASP A 33 -12.950 8.347 -11.035 1.00 60.53 O ATOM 507 CB ASP A 33 -15.531 7.818 -9.300 1.00 20.41 C ATOM 508 CG ASP A 33 -16.580 8.630 -8.567 1.00 54.01 C ATOM 509 OD1 ASP A 33 -17.784 8.380 -8.787 1.00 22.14 O ATOM 510 OD2 ASP A 33 -16.198 9.517 -7.775 1.00 33.44 O ATOM 0 H ASP A 33 -17.032 7.126 -11.149 1.00 21.14 H new ATOM 0 HA ASP A 33 -15.308 9.376 -10.761 1.00 74.55 H new ATOM 0 HB2 ASP A 33 -15.823 6.768 -9.299 1.00 20.41 H new ATOM 0 HB3 ASP A 33 -14.584 7.886 -8.765 1.00 20.41 H new ATOM 515 N GLY A 34 -14.064 6.658 -12.018 1.00 74.54 N ATOM 516 CA GLY A 34 -12.860 6.074 -12.580 1.00 10.03 C ATOM 517 C GLY A 34 -12.250 5.022 -11.675 1.00 63.33 C ATOM 518 O GLY A 34 -11.048 5.046 -11.406 1.00 51.12 O ATOM 0 H GLY A 34 -14.925 6.156 -12.235 1.00 74.54 H new ATOM 0 HA2 GLY A 34 -13.093 5.627 -13.546 1.00 10.03 H new ATOM 0 HA3 GLY A 34 -12.128 6.861 -12.762 1.00 10.03 H new ATOM 522 N CYS A 35 -13.078 4.097 -11.204 1.00 33.23 N ATOM 523 CA CYS A 35 -12.613 3.032 -10.322 1.00 15.13 C ATOM 524 C CYS A 35 -13.298 1.711 -10.657 1.00 31.15 C ATOM 525 O CYS A 35 -14.186 1.659 -11.509 1.00 4.05 O ATOM 526 CB CYS A 35 -12.876 3.401 -8.861 1.00 32.32 C ATOM 527 SG CYS A 35 -14.560 3.974 -8.535 1.00 61.43 S ATOM 0 H CYS A 35 -14.075 4.062 -11.418 1.00 33.23 H new ATOM 0 HA CYS A 35 -11.540 2.912 -10.471 1.00 15.13 H new ATOM 0 HB2 CYS A 35 -12.672 2.532 -8.236 1.00 32.32 H new ATOM 0 HB3 CYS A 35 -12.175 4.180 -8.562 1.00 32.32 H new ATOM 0 HG CYS A 35 -14.685 4.259 -7.273 1.00 61.43 H new ATOM 533 N ILE A 36 -12.879 0.646 -9.982 1.00 64.31 N ATOM 534 CA ILE A 36 -13.451 -0.675 -10.209 1.00 31.52 C ATOM 535 C ILE A 36 -13.887 -1.318 -8.897 1.00 21.34 C ATOM 536 O ILE A 36 -13.056 -1.662 -8.056 1.00 31.31 O ATOM 537 CB ILE A 36 -12.451 -1.608 -10.917 1.00 71.32 C ATOM 538 CG1 ILE A 36 -12.025 -1.010 -12.259 1.00 43.13 C ATOM 539 CG2 ILE A 36 -13.062 -2.987 -11.116 1.00 75.11 C ATOM 540 CD1 ILE A 36 -10.542 -1.131 -12.531 1.00 63.22 C ATOM 0 H ILE A 36 -12.146 0.672 -9.274 1.00 64.31 H new ATOM 0 HA ILE A 36 -14.322 -0.536 -10.850 1.00 31.52 H new ATOM 0 HB ILE A 36 -11.566 -1.711 -10.289 1.00 71.32 H new ATOM 0 HG12 ILE A 36 -12.575 -1.506 -13.059 1.00 43.13 H new ATOM 0 HG13 ILE A 36 -12.306 0.043 -12.284 1.00 43.13 H new ATOM 0 HG21 ILE A 36 -12.343 -3.635 -11.618 1.00 75.11 H new ATOM 0 HG22 ILE A 36 -13.320 -3.414 -10.147 1.00 75.11 H new ATOM 0 HG23 ILE A 36 -13.961 -2.902 -11.726 1.00 75.11 H new ATOM 0 HD11 ILE A 36 -10.312 -0.686 -13.499 1.00 63.22 H new ATOM 0 HD12 ILE A 36 -9.985 -0.611 -11.751 1.00 63.22 H new ATOM 0 HD13 ILE A 36 -10.258 -2.183 -12.539 1.00 63.22 H new ATOM 552 N SER A 37 -15.196 -1.479 -8.729 1.00 24.14 N ATOM 553 CA SER A 37 -15.743 -2.079 -7.518 1.00 21.34 C ATOM 554 C SER A 37 -15.851 -3.594 -7.663 1.00 72.12 C ATOM 555 O SER A 37 -16.005 -4.115 -8.769 1.00 10.34 O ATOM 556 CB SER A 37 -17.118 -1.486 -7.205 1.00 50.14 C ATOM 557 OG SER A 37 -17.709 -2.128 -6.089 1.00 0.12 O ATOM 0 H SER A 37 -15.897 -1.202 -9.416 1.00 24.14 H new ATOM 0 HA SER A 37 -15.064 -1.858 -6.694 1.00 21.34 H new ATOM 0 HB2 SER A 37 -17.020 -0.419 -7.005 1.00 50.14 H new ATOM 0 HB3 SER A 37 -17.768 -1.589 -8.074 1.00 50.14 H new ATOM 0 HG SER A 37 -18.586 -1.729 -5.909 1.00 0.12 H new ATOM 563 N THR A 38 -15.770 -4.298 -6.538 1.00 44.12 N ATOM 564 CA THR A 38 -15.857 -5.753 -6.539 1.00 10.44 C ATOM 565 C THR A 38 -17.132 -6.227 -7.228 1.00 5.34 C ATOM 566 O THR A 38 -17.194 -7.344 -7.741 1.00 45.13 O ATOM 567 CB THR A 38 -15.821 -6.318 -5.106 1.00 65.13 C ATOM 568 OG1 THR A 38 -16.177 -7.705 -5.118 1.00 24.01 O ATOM 569 CG2 THR A 38 -16.771 -5.553 -4.198 1.00 50.20 C ATOM 0 H THR A 38 -15.644 -3.884 -5.614 1.00 44.12 H new ATOM 0 HA THR A 38 -14.991 -6.122 -7.089 1.00 10.44 H new ATOM 0 HB THR A 38 -14.808 -6.206 -4.720 1.00 65.13 H new ATOM 0 HG1 THR A 38 -16.306 -8.018 -4.198 1.00 24.01 H new ATOM 0 HG21 THR A 38 -16.728 -5.970 -3.192 1.00 50.20 H new ATOM 0 HG22 THR A 38 -16.479 -4.503 -4.168 1.00 50.20 H new ATOM 0 HG23 THR A 38 -17.788 -5.636 -4.582 1.00 50.20 H new ATOM 577 N LYS A 39 -18.148 -5.370 -7.236 1.00 25.41 N ATOM 578 CA LYS A 39 -19.421 -5.700 -7.864 1.00 35.11 C ATOM 579 C LYS A 39 -19.256 -5.875 -9.370 1.00 55.43 C ATOM 580 O LYS A 39 -19.641 -6.901 -9.931 1.00 4.55 O ATOM 581 CB LYS A 39 -20.453 -4.607 -7.576 1.00 72.14 C ATOM 582 CG LYS A 39 -21.886 -5.110 -7.571 1.00 15.13 C ATOM 583 CD LYS A 39 -22.183 -5.935 -6.330 1.00 22.51 C ATOM 584 CE LYS A 39 -22.590 -5.055 -5.159 1.00 13.23 C ATOM 585 NZ LYS A 39 -21.413 -4.617 -4.358 1.00 34.31 N ATOM 0 H LYS A 39 -18.114 -4.442 -6.814 1.00 25.41 H new ATOM 0 HA LYS A 39 -19.772 -6.642 -7.444 1.00 35.11 H new ATOM 0 HB2 LYS A 39 -20.232 -4.156 -6.609 1.00 72.14 H new ATOM 0 HB3 LYS A 39 -20.355 -3.821 -8.324 1.00 72.14 H new ATOM 0 HG2 LYS A 39 -22.570 -4.263 -7.618 1.00 15.13 H new ATOM 0 HG3 LYS A 39 -22.064 -5.713 -8.461 1.00 15.13 H new ATOM 0 HD2 LYS A 39 -22.981 -6.646 -6.547 1.00 22.51 H new ATOM 0 HD3 LYS A 39 -21.302 -6.517 -6.060 1.00 22.51 H new ATOM 0 HE2 LYS A 39 -23.122 -4.179 -5.531 1.00 13.23 H new ATOM 0 HE3 LYS A 39 -23.282 -5.601 -4.518 1.00 13.23 H new ATOM 0 HZ1 LYS A 39 -21.575 -4.836 -3.354 1.00 34.31 H new ATOM 0 HZ2 LYS A 39 -20.563 -5.116 -4.689 1.00 34.31 H new ATOM 0 HZ3 LYS A 39 -21.278 -3.592 -4.471 1.00 34.31 H new ATOM 599 N GLU A 40 -18.682 -4.866 -10.019 1.00 23.51 N ATOM 600 CA GLU A 40 -18.466 -4.910 -11.460 1.00 60.53 C ATOM 601 C GLU A 40 -17.272 -5.797 -11.805 1.00 55.20 C ATOM 602 O GLU A 40 -17.286 -6.513 -12.807 1.00 24.42 O ATOM 603 CB GLU A 40 -18.242 -3.499 -12.008 1.00 74.43 C ATOM 604 CG GLU A 40 -19.221 -2.473 -11.463 1.00 51.23 C ATOM 605 CD GLU A 40 -19.239 -1.194 -12.278 1.00 4.23 C ATOM 606 OE1 GLU A 40 -18.148 -0.721 -12.661 1.00 53.35 O ATOM 607 OE2 GLU A 40 -20.341 -0.666 -12.531 1.00 35.00 O ATOM 0 H GLU A 40 -18.359 -4.009 -9.570 1.00 23.51 H new ATOM 0 HA GLU A 40 -19.357 -5.334 -11.922 1.00 60.53 H new ATOM 0 HB2 GLU A 40 -17.227 -3.183 -11.770 1.00 74.43 H new ATOM 0 HB3 GLU A 40 -18.321 -3.523 -13.095 1.00 74.43 H new ATOM 0 HG2 GLU A 40 -20.222 -2.904 -11.448 1.00 51.23 H new ATOM 0 HG3 GLU A 40 -18.959 -2.238 -10.431 1.00 51.23 H new ATOM 614 N LEU A 41 -16.242 -5.742 -10.969 1.00 22.22 N ATOM 615 CA LEU A 41 -15.039 -6.539 -11.184 1.00 20.21 C ATOM 616 C LEU A 41 -15.389 -8.010 -11.385 1.00 31.13 C ATOM 617 O LEU A 41 -14.707 -8.727 -12.116 1.00 52.20 O ATOM 618 CB LEU A 41 -14.084 -6.388 -9.998 1.00 52.45 C ATOM 619 CG LEU A 41 -12.779 -7.180 -10.083 1.00 2.55 C ATOM 620 CD1 LEU A 41 -12.199 -7.105 -11.486 1.00 61.35 C ATOM 621 CD2 LEU A 41 -11.775 -6.664 -9.061 1.00 55.12 C ATOM 0 H LEU A 41 -16.215 -5.154 -10.136 1.00 22.22 H new ATOM 0 HA LEU A 41 -14.548 -6.174 -12.086 1.00 20.21 H new ATOM 0 HB2 LEU A 41 -13.838 -5.332 -9.887 1.00 52.45 H new ATOM 0 HB3 LEU A 41 -14.610 -6.690 -9.092 1.00 52.45 H new ATOM 0 HG LEU A 41 -12.995 -8.224 -9.857 1.00 2.55 H new ATOM 0 HD11 LEU A 41 -11.271 -7.675 -11.527 1.00 61.35 H new ATOM 0 HD12 LEU A 41 -12.912 -7.522 -12.197 1.00 61.35 H new ATOM 0 HD13 LEU A 41 -11.998 -6.065 -11.741 1.00 61.35 H new ATOM 0 HD21 LEU A 41 -10.852 -7.239 -9.135 1.00 55.12 H new ATOM 0 HD22 LEU A 41 -11.564 -5.613 -9.257 1.00 55.12 H new ATOM 0 HD23 LEU A 41 -12.189 -6.771 -8.058 1.00 55.12 H new ATOM 633 N GLY A 42 -16.459 -8.453 -10.731 1.00 60.23 N ATOM 634 CA GLY A 42 -16.882 -9.836 -10.853 1.00 15.02 C ATOM 635 C GLY A 42 -17.417 -10.159 -12.234 1.00 21.30 C ATOM 636 O GLY A 42 -17.289 -11.288 -12.709 1.00 52.01 O ATOM 0 H GLY A 42 -17.040 -7.879 -10.120 1.00 60.23 H new ATOM 0 HA2 GLY A 42 -16.040 -10.491 -10.631 1.00 15.02 H new ATOM 0 HA3 GLY A 42 -17.652 -10.044 -10.110 1.00 15.02 H new ATOM 640 N LYS A 43 -18.019 -9.167 -12.881 1.00 33.23 N ATOM 641 CA LYS A 43 -18.576 -9.350 -14.216 1.00 31.42 C ATOM 642 C LYS A 43 -17.467 -9.524 -15.249 1.00 32.23 C ATOM 643 O LYS A 43 -17.513 -10.434 -16.077 1.00 34.13 O ATOM 644 CB LYS A 43 -19.456 -8.156 -14.592 1.00 44.22 C ATOM 645 CG LYS A 43 -20.944 -8.456 -14.540 1.00 4.31 C ATOM 646 CD LYS A 43 -21.732 -7.524 -15.444 1.00 55.51 C ATOM 647 CE LYS A 43 -22.530 -8.297 -16.483 1.00 31.34 C ATOM 648 NZ LYS A 43 -23.439 -9.296 -15.853 1.00 45.44 N ATOM 0 H LYS A 43 -18.134 -8.227 -12.502 1.00 33.23 H new ATOM 0 HA LYS A 43 -19.185 -10.254 -14.208 1.00 31.42 H new ATOM 0 HB2 LYS A 43 -19.237 -7.328 -13.918 1.00 44.22 H new ATOM 0 HB3 LYS A 43 -19.195 -7.826 -15.598 1.00 44.22 H new ATOM 0 HG2 LYS A 43 -21.119 -9.489 -14.840 1.00 4.31 H new ATOM 0 HG3 LYS A 43 -21.300 -8.357 -13.515 1.00 4.31 H new ATOM 0 HD2 LYS A 43 -22.408 -6.917 -14.842 1.00 55.51 H new ATOM 0 HD3 LYS A 43 -21.049 -6.838 -15.945 1.00 55.51 H new ATOM 0 HE2 LYS A 43 -23.116 -7.601 -17.083 1.00 31.34 H new ATOM 0 HE3 LYS A 43 -21.846 -8.806 -17.162 1.00 31.34 H new ATOM 0 HZ1 LYS A 43 -24.278 -9.428 -16.453 1.00 45.44 H new ATOM 0 HZ2 LYS A 43 -22.940 -10.203 -15.750 1.00 45.44 H new ATOM 0 HZ3 LYS A 43 -23.734 -8.955 -14.916 1.00 45.44 H new ATOM 662 N VAL A 44 -16.470 -8.647 -15.193 1.00 52.23 N ATOM 663 CA VAL A 44 -15.348 -8.705 -16.122 1.00 70.14 C ATOM 664 C VAL A 44 -14.645 -10.056 -16.051 1.00 72.01 C ATOM 665 O VAL A 44 -14.079 -10.525 -17.038 1.00 35.50 O ATOM 666 CB VAL A 44 -14.324 -7.590 -15.837 1.00 33.44 C ATOM 667 CG1 VAL A 44 -13.265 -7.545 -16.928 1.00 35.03 C ATOM 668 CG2 VAL A 44 -15.024 -6.246 -15.705 1.00 21.01 C ATOM 0 H VAL A 44 -16.416 -7.888 -14.514 1.00 52.23 H new ATOM 0 HA VAL A 44 -15.758 -8.564 -17.122 1.00 70.14 H new ATOM 0 HB VAL A 44 -13.827 -7.809 -14.892 1.00 33.44 H new ATOM 0 HG11 VAL A 44 -12.551 -6.751 -16.709 1.00 35.03 H new ATOM 0 HG12 VAL A 44 -12.744 -8.501 -16.969 1.00 35.03 H new ATOM 0 HG13 VAL A 44 -13.741 -7.350 -17.889 1.00 35.03 H new ATOM 0 HG21 VAL A 44 -14.286 -5.470 -15.504 1.00 21.01 H new ATOM 0 HG22 VAL A 44 -15.549 -6.016 -16.632 1.00 21.01 H new ATOM 0 HG23 VAL A 44 -15.740 -6.288 -14.884 1.00 21.01 H new ATOM 678 N MET A 45 -14.686 -10.677 -14.877 1.00 3.34 N ATOM 679 CA MET A 45 -14.054 -11.976 -14.677 1.00 2.31 C ATOM 680 C MET A 45 -14.503 -12.969 -15.744 1.00 14.31 C ATOM 681 O MET A 45 -13.764 -13.885 -16.104 1.00 3.33 O ATOM 682 CB MET A 45 -14.385 -12.519 -13.286 1.00 22.33 C ATOM 683 CG MET A 45 -13.820 -11.677 -12.154 1.00 2.33 C ATOM 684 SD MET A 45 -12.318 -12.380 -11.447 1.00 24.30 S ATOM 685 CE MET A 45 -11.405 -12.792 -12.932 1.00 74.33 C ATOM 0 H MET A 45 -15.150 -10.302 -14.050 1.00 3.34 H new ATOM 0 HA MET A 45 -12.975 -11.844 -14.760 1.00 2.31 H new ATOM 0 HB2 MET A 45 -15.468 -12.580 -13.177 1.00 22.33 H new ATOM 0 HB3 MET A 45 -13.999 -13.535 -13.200 1.00 22.33 H new ATOM 0 HG2 MET A 45 -13.608 -10.674 -12.524 1.00 2.33 H new ATOM 0 HG3 MET A 45 -14.572 -11.576 -11.372 1.00 2.33 H new ATOM 0 HE1 MET A 45 -10.380 -13.054 -12.668 1.00 74.33 H new ATOM 0 HE2 MET A 45 -11.880 -13.639 -13.428 1.00 74.33 H new ATOM 0 HE3 MET A 45 -11.399 -11.935 -13.605 1.00 74.33 H new ATOM 695 N ARG A 46 -15.720 -12.781 -16.246 1.00 23.15 N ATOM 696 CA ARG A 46 -16.268 -13.662 -17.270 1.00 42.31 C ATOM 697 C ARG A 46 -15.387 -13.660 -18.516 1.00 55.44 C ATOM 698 O ARG A 46 -15.275 -14.670 -19.210 1.00 41.44 O ATOM 699 CB ARG A 46 -17.689 -13.231 -17.636 1.00 13.21 C ATOM 700 CG ARG A 46 -17.743 -11.989 -18.510 1.00 52.15 C ATOM 701 CD ARG A 46 -19.121 -11.346 -18.480 1.00 42.34 C ATOM 702 NE ARG A 46 -19.438 -10.673 -19.737 1.00 53.30 N ATOM 703 CZ ARG A 46 -20.663 -10.282 -20.072 1.00 44.53 C ATOM 704 NH1 ARG A 46 -21.679 -10.495 -19.248 1.00 52.23 N ATOM 705 NH2 ARG A 46 -20.872 -9.675 -21.234 1.00 21.12 N ATOM 0 H ARG A 46 -16.344 -12.027 -15.960 1.00 23.15 H new ATOM 0 HA ARG A 46 -16.295 -14.674 -16.867 1.00 42.31 H new ATOM 0 HB2 ARG A 46 -18.186 -14.051 -18.154 1.00 13.21 H new ATOM 0 HB3 ARG A 46 -18.250 -13.045 -16.720 1.00 13.21 H new ATOM 0 HG2 ARG A 46 -16.998 -11.270 -18.169 1.00 52.15 H new ATOM 0 HG3 ARG A 46 -17.486 -12.253 -19.536 1.00 52.15 H new ATOM 0 HD2 ARG A 46 -19.873 -12.109 -18.278 1.00 42.34 H new ATOM 0 HD3 ARG A 46 -19.168 -10.627 -17.662 1.00 42.34 H new ATOM 0 HE ARG A 46 -18.678 -10.493 -20.393 1.00 53.30 H new ATOM 0 HH11 ARG A 46 -21.522 -10.960 -18.354 1.00 52.23 H new ATOM 0 HH12 ARG A 46 -22.618 -10.194 -19.508 1.00 52.23 H new ATOM 0 HH21 ARG A 46 -20.092 -9.509 -21.870 1.00 21.12 H new ATOM 0 HH22 ARG A 46 -21.812 -9.375 -21.491 1.00 21.12 H new ATOM 719 N MET A 47 -14.766 -12.518 -18.794 1.00 12.12 N ATOM 720 CA MET A 47 -13.896 -12.385 -19.956 1.00 44.02 C ATOM 721 C MET A 47 -12.656 -13.261 -19.810 1.00 23.23 C ATOM 722 O MET A 47 -12.178 -13.847 -20.783 1.00 14.23 O ATOM 723 CB MET A 47 -13.483 -10.924 -20.146 1.00 64.23 C ATOM 724 CG MET A 47 -14.603 -10.039 -20.668 1.00 43.02 C ATOM 725 SD MET A 47 -15.031 -10.399 -22.382 1.00 41.23 S ATOM 726 CE MET A 47 -15.541 -8.779 -22.951 1.00 40.21 C ATOM 0 H MET A 47 -14.849 -11.672 -18.230 1.00 12.12 H new ATOM 0 HA MET A 47 -14.451 -12.715 -20.834 1.00 44.02 H new ATOM 0 HB2 MET A 47 -13.132 -10.527 -19.193 1.00 64.23 H new ATOM 0 HB3 MET A 47 -12.643 -10.880 -20.839 1.00 64.23 H new ATOM 0 HG2 MET A 47 -15.486 -10.170 -20.042 1.00 43.02 H new ATOM 0 HG3 MET A 47 -14.304 -8.994 -20.584 1.00 43.02 H new ATOM 0 HE1 MET A 47 -15.837 -8.838 -23.998 1.00 40.21 H new ATOM 0 HE2 MET A 47 -16.385 -8.433 -22.355 1.00 40.21 H new ATOM 0 HE3 MET A 47 -14.712 -8.079 -22.847 1.00 40.21 H new ATOM 736 N LEU A 48 -12.138 -13.347 -18.589 1.00 51.23 N ATOM 737 CA LEU A 48 -10.953 -14.152 -18.316 1.00 3.13 C ATOM 738 C LEU A 48 -11.261 -15.639 -18.452 1.00 73.43 C ATOM 739 O LEU A 48 -10.371 -16.447 -18.713 1.00 61.22 O ATOM 740 CB LEU A 48 -10.424 -13.856 -16.911 1.00 52.01 C ATOM 741 CG LEU A 48 -9.462 -12.674 -16.791 1.00 51.42 C ATOM 742 CD1 LEU A 48 -10.064 -11.429 -17.425 1.00 33.13 C ATOM 743 CD2 LEU A 48 -9.113 -12.416 -15.333 1.00 24.13 C ATOM 0 H LEU A 48 -12.520 -12.869 -17.773 1.00 51.23 H new ATOM 0 HA LEU A 48 -10.190 -13.890 -19.048 1.00 3.13 H new ATOM 0 HB2 LEU A 48 -11.275 -13.674 -16.255 1.00 52.01 H new ATOM 0 HB3 LEU A 48 -9.920 -14.748 -16.539 1.00 52.01 H new ATOM 0 HG LEU A 48 -8.545 -12.922 -17.325 1.00 51.42 H new ATOM 0 HD11 LEU A 48 -9.365 -10.598 -17.330 1.00 33.13 H new ATOM 0 HD12 LEU A 48 -10.262 -11.618 -18.480 1.00 33.13 H new ATOM 0 HD13 LEU A 48 -10.997 -11.178 -16.920 1.00 33.13 H new ATOM 0 HD21 LEU A 48 -8.427 -11.571 -15.267 1.00 24.13 H new ATOM 0 HD22 LEU A 48 -10.022 -12.190 -14.776 1.00 24.13 H new ATOM 0 HD23 LEU A 48 -8.639 -13.302 -14.910 1.00 24.13 H new ATOM 755 N GLY A 49 -12.531 -15.994 -18.276 1.00 63.11 N ATOM 756 CA GLY A 49 -12.935 -17.384 -18.386 1.00 2.44 C ATOM 757 C GLY A 49 -13.135 -18.037 -17.033 1.00 32.41 C ATOM 758 O GLY A 49 -13.152 -19.263 -16.926 1.00 64.30 O ATOM 0 H GLY A 49 -13.287 -15.344 -18.059 1.00 63.11 H new ATOM 0 HA2 GLY A 49 -13.862 -17.446 -18.957 1.00 2.44 H new ATOM 0 HA3 GLY A 49 -12.179 -17.936 -18.945 1.00 2.44 H new ATOM 762 N GLN A 50 -13.286 -17.218 -15.998 1.00 12.33 N ATOM 763 CA GLN A 50 -13.484 -17.725 -14.645 1.00 1.31 C ATOM 764 C GLN A 50 -14.702 -17.077 -13.993 1.00 65.35 C ATOM 765 O GLN A 50 -15.111 -15.981 -14.373 1.00 20.11 O ATOM 766 CB GLN A 50 -12.239 -17.468 -13.794 1.00 42.13 C ATOM 767 CG GLN A 50 -11.080 -18.398 -14.116 1.00 10.13 C ATOM 768 CD GLN A 50 -10.105 -18.536 -12.963 1.00 51.40 C ATOM 769 OE1 GLN A 50 -9.725 -19.644 -12.585 1.00 71.32 O ATOM 770 NE2 GLN A 50 -9.694 -17.407 -12.397 1.00 11.11 N ATOM 0 H GLN A 50 -13.275 -16.201 -16.070 1.00 12.33 H new ATOM 0 HA GLN A 50 -13.657 -18.799 -14.709 1.00 1.31 H new ATOM 0 HB2 GLN A 50 -11.917 -16.437 -13.938 1.00 42.13 H new ATOM 0 HB3 GLN A 50 -12.500 -17.577 -12.741 1.00 42.13 H new ATOM 0 HG2 GLN A 50 -11.470 -19.382 -14.377 1.00 10.13 H new ATOM 0 HG3 GLN A 50 -10.550 -18.023 -14.992 1.00 10.13 H new ATOM 0 HE21 GLN A 50 -10.035 -16.510 -12.742 1.00 11.11 H new ATOM 0 HE22 GLN A 50 -9.038 -17.437 -11.617 1.00 11.11 H new ATOM 779 N ASN A 51 -15.276 -17.764 -13.011 1.00 50.11 N ATOM 780 CA ASN A 51 -16.448 -17.256 -12.307 1.00 41.32 C ATOM 781 C ASN A 51 -16.339 -17.519 -10.808 1.00 71.55 C ATOM 782 O ASN A 51 -17.055 -18.348 -10.245 1.00 63.02 O ATOM 783 CB ASN A 51 -17.720 -17.902 -12.859 1.00 71.12 C ATOM 784 CG ASN A 51 -18.961 -17.477 -12.099 1.00 34.15 C ATOM 785 OD1 ASN A 51 -19.586 -18.283 -11.408 1.00 1.50 O ATOM 786 ND2 ASN A 51 -19.325 -16.206 -12.223 1.00 3.14 N ATOM 0 H ASN A 51 -14.949 -18.673 -12.685 1.00 50.11 H new ATOM 0 HA ASN A 51 -16.498 -16.179 -12.466 1.00 41.32 H new ATOM 0 HB2 ASN A 51 -17.832 -17.636 -13.910 1.00 71.12 H new ATOM 0 HB3 ASN A 51 -17.623 -18.987 -12.813 1.00 71.12 H new ATOM 0 HD21 ASN A 51 -20.152 -15.862 -11.735 1.00 3.14 H new ATOM 0 HD22 ASN A 51 -18.777 -15.573 -12.806 1.00 3.14 H new ATOM 793 N PRO A 52 -15.423 -16.798 -10.146 1.00 22.12 N ATOM 794 CA PRO A 52 -15.199 -16.935 -8.704 1.00 31.44 C ATOM 795 C PRO A 52 -16.363 -16.393 -7.882 1.00 55.41 C ATOM 796 O PRO A 52 -17.175 -15.609 -8.377 1.00 21.50 O ATOM 797 CB PRO A 52 -13.938 -16.103 -8.459 1.00 52.54 C ATOM 798 CG PRO A 52 -13.924 -15.104 -9.564 1.00 52.45 C ATOM 799 CD PRO A 52 -14.535 -15.793 -10.753 1.00 51.43 C ATOM 0 HA PRO A 52 -15.102 -17.979 -8.405 1.00 31.44 H new ATOM 0 HB2 PRO A 52 -13.968 -15.615 -7.485 1.00 52.54 H new ATOM 0 HB3 PRO A 52 -13.043 -16.725 -8.476 1.00 52.54 H new ATOM 0 HG2 PRO A 52 -14.493 -14.215 -9.293 1.00 52.45 H new ATOM 0 HG3 PRO A 52 -12.907 -14.778 -9.782 1.00 52.45 H new ATOM 0 HD2 PRO A 52 -15.088 -15.095 -11.381 1.00 51.43 H new ATOM 0 HD3 PRO A 52 -13.776 -16.256 -11.383 1.00 51.43 H new ATOM 807 N THR A 53 -16.440 -16.813 -6.623 1.00 74.11 N ATOM 808 CA THR A 53 -17.506 -16.370 -5.733 1.00 41.21 C ATOM 809 C THR A 53 -17.546 -14.849 -5.639 1.00 12.15 C ATOM 810 O THR A 53 -16.572 -14.158 -5.938 1.00 70.21 O ATOM 811 CB THR A 53 -17.337 -16.956 -4.319 1.00 31.41 C ATOM 812 OG1 THR A 53 -15.963 -17.283 -4.085 1.00 3.02 O ATOM 813 CG2 THR A 53 -18.196 -18.200 -4.143 1.00 11.54 C ATOM 0 H THR A 53 -15.776 -17.460 -6.197 1.00 74.11 H new ATOM 0 HA THR A 53 -18.443 -16.730 -6.158 1.00 41.21 H new ATOM 0 HB THR A 53 -17.659 -16.205 -3.598 1.00 31.41 H new ATOM 0 HG1 THR A 53 -15.864 -17.653 -3.183 1.00 3.02 H new ATOM 0 HG21 THR A 53 -18.060 -18.596 -3.137 1.00 11.54 H new ATOM 0 HG22 THR A 53 -19.244 -17.942 -4.293 1.00 11.54 H new ATOM 0 HG23 THR A 53 -17.899 -18.953 -4.873 1.00 11.54 H new ATOM 821 N PRO A 54 -18.699 -14.312 -5.211 1.00 62.04 N ATOM 822 CA PRO A 54 -18.893 -12.866 -5.066 1.00 62.33 C ATOM 823 C PRO A 54 -18.081 -12.285 -3.913 1.00 75.33 C ATOM 824 O PRO A 54 -17.394 -11.277 -4.073 1.00 30.41 O ATOM 825 CB PRO A 54 -20.392 -12.736 -4.784 1.00 63.13 C ATOM 826 CG PRO A 54 -20.779 -14.043 -4.184 1.00 72.52 C ATOM 827 CD PRO A 54 -19.901 -15.075 -4.837 1.00 32.12 C ATOM 0 HA PRO A 54 -18.563 -12.320 -5.949 1.00 62.33 H new ATOM 0 HB2 PRO A 54 -20.596 -11.911 -4.102 1.00 63.13 H new ATOM 0 HB3 PRO A 54 -20.951 -12.539 -5.699 1.00 63.13 H new ATOM 0 HG2 PRO A 54 -20.634 -14.035 -3.104 1.00 72.52 H new ATOM 0 HG3 PRO A 54 -21.833 -14.258 -4.363 1.00 72.52 H new ATOM 0 HD2 PRO A 54 -19.663 -15.890 -4.154 1.00 32.12 H new ATOM 0 HD3 PRO A 54 -20.382 -15.519 -5.708 1.00 32.12 H new ATOM 835 N GLU A 55 -18.166 -12.928 -2.753 1.00 34.32 N ATOM 836 CA GLU A 55 -17.439 -12.474 -1.573 1.00 53.44 C ATOM 837 C GLU A 55 -15.932 -12.566 -1.794 1.00 72.12 C ATOM 838 O GLU A 55 -15.163 -11.797 -1.219 1.00 64.22 O ATOM 839 CB GLU A 55 -17.838 -13.302 -0.350 1.00 54.33 C ATOM 840 CG GLU A 55 -19.324 -13.246 -0.036 1.00 70.41 C ATOM 841 CD GLU A 55 -19.633 -13.648 1.393 1.00 14.41 C ATOM 842 OE1 GLU A 55 -19.413 -14.827 1.738 1.00 24.44 O ATOM 843 OE2 GLU A 55 -20.096 -12.783 2.166 1.00 53.12 O ATOM 0 H GLU A 55 -18.731 -13.764 -2.605 1.00 34.32 H new ATOM 0 HA GLU A 55 -17.700 -11.431 -1.396 1.00 53.44 H new ATOM 0 HB2 GLU A 55 -17.549 -14.340 -0.514 1.00 54.33 H new ATOM 0 HB3 GLU A 55 -17.279 -12.948 0.516 1.00 54.33 H new ATOM 0 HG2 GLU A 55 -19.691 -12.235 -0.213 1.00 70.41 H new ATOM 0 HG3 GLU A 55 -19.861 -13.904 -0.719 1.00 70.41 H new ATOM 850 N GLU A 56 -15.520 -13.513 -2.631 1.00 25.33 N ATOM 851 CA GLU A 56 -14.105 -13.707 -2.926 1.00 62.20 C ATOM 852 C GLU A 56 -13.537 -12.508 -3.680 1.00 30.11 C ATOM 853 O GLU A 56 -12.384 -12.124 -3.480 1.00 62.14 O ATOM 854 CB GLU A 56 -13.903 -14.982 -3.747 1.00 64.25 C ATOM 855 CG GLU A 56 -12.444 -15.369 -3.921 1.00 64.32 C ATOM 856 CD GLU A 56 -12.254 -16.862 -4.107 1.00 73.33 C ATOM 857 OE1 GLU A 56 -13.009 -17.638 -3.484 1.00 14.40 O ATOM 858 OE2 GLU A 56 -11.352 -17.255 -4.875 1.00 64.34 O ATOM 0 H GLU A 56 -16.145 -14.157 -3.116 1.00 25.33 H new ATOM 0 HA GLU A 56 -13.573 -13.804 -1.980 1.00 62.20 H new ATOM 0 HB2 GLU A 56 -14.433 -15.803 -3.264 1.00 64.25 H new ATOM 0 HB3 GLU A 56 -14.354 -14.846 -4.730 1.00 64.25 H new ATOM 0 HG2 GLU A 56 -12.033 -14.844 -4.784 1.00 64.32 H new ATOM 0 HG3 GLU A 56 -11.878 -15.041 -3.049 1.00 64.32 H new ATOM 865 N LEU A 57 -14.354 -11.921 -4.547 1.00 15.01 N ATOM 866 CA LEU A 57 -13.935 -10.765 -5.332 1.00 61.32 C ATOM 867 C LEU A 57 -13.355 -9.678 -4.433 1.00 50.25 C ATOM 868 O LEU A 57 -12.227 -9.230 -4.635 1.00 41.44 O ATOM 869 CB LEU A 57 -15.117 -10.209 -6.128 1.00 44.42 C ATOM 870 CG LEU A 57 -15.712 -11.139 -7.185 1.00 60.52 C ATOM 871 CD1 LEU A 57 -17.053 -10.610 -7.668 1.00 52.13 C ATOM 872 CD2 LEU A 57 -14.750 -11.305 -8.353 1.00 30.14 C ATOM 0 H LEU A 57 -15.311 -12.226 -4.724 1.00 15.01 H new ATOM 0 HA LEU A 57 -13.159 -11.089 -6.025 1.00 61.32 H new ATOM 0 HB2 LEU A 57 -15.906 -9.938 -5.427 1.00 44.42 H new ATOM 0 HB3 LEU A 57 -14.798 -9.290 -6.620 1.00 44.42 H new ATOM 0 HG LEU A 57 -15.873 -12.117 -6.731 1.00 60.52 H new ATOM 0 HD11 LEU A 57 -17.461 -11.285 -8.420 1.00 52.13 H new ATOM 0 HD12 LEU A 57 -17.743 -10.545 -6.827 1.00 52.13 H new ATOM 0 HD13 LEU A 57 -16.918 -9.620 -8.104 1.00 52.13 H new ATOM 0 HD21 LEU A 57 -15.191 -11.970 -9.095 1.00 30.14 H new ATOM 0 HD22 LEU A 57 -14.557 -10.333 -8.806 1.00 30.14 H new ATOM 0 HD23 LEU A 57 -13.813 -11.731 -7.995 1.00 30.14 H new ATOM 884 N GLN A 58 -14.134 -9.260 -3.441 1.00 23.45 N ATOM 885 CA GLN A 58 -13.696 -8.227 -2.510 1.00 40.51 C ATOM 886 C GLN A 58 -12.510 -8.707 -1.681 1.00 65.21 C ATOM 887 O GLN A 58 -11.720 -7.903 -1.186 1.00 72.25 O ATOM 888 CB GLN A 58 -14.847 -7.820 -1.588 1.00 23.52 C ATOM 889 CG GLN A 58 -14.399 -7.037 -0.364 1.00 65.34 C ATOM 890 CD GLN A 58 -13.664 -5.761 -0.725 1.00 71.13 C ATOM 891 OE1 GLN A 58 -12.543 -5.527 -0.272 1.00 72.05 O ATOM 892 NE2 GLN A 58 -14.293 -4.927 -1.545 1.00 73.31 N ATOM 0 H GLN A 58 -15.071 -9.620 -3.261 1.00 23.45 H new ATOM 0 HA GLN A 58 -13.381 -7.360 -3.091 1.00 40.51 H new ATOM 0 HB2 GLN A 58 -15.559 -7.218 -2.153 1.00 23.52 H new ATOM 0 HB3 GLN A 58 -15.375 -8.716 -1.262 1.00 23.52 H new ATOM 0 HG2 GLN A 58 -15.270 -6.791 0.244 1.00 65.34 H new ATOM 0 HG3 GLN A 58 -13.751 -7.665 0.247 1.00 65.34 H new ATOM 0 HE21 GLN A 58 -15.221 -5.161 -1.897 1.00 73.31 H new ATOM 0 HE22 GLN A 58 -13.848 -4.053 -1.823 1.00 73.31 H new ATOM 901 N GLU A 59 -12.391 -10.023 -1.534 1.00 32.14 N ATOM 902 CA GLU A 59 -11.301 -10.610 -0.763 1.00 11.31 C ATOM 903 C GLU A 59 -9.948 -10.215 -1.347 1.00 62.34 C ATOM 904 O GLU A 59 -9.070 -9.731 -0.634 1.00 44.24 O ATOM 905 CB GLU A 59 -11.431 -12.134 -0.732 1.00 51.04 C ATOM 906 CG GLU A 59 -10.718 -12.782 0.442 1.00 22.31 C ATOM 907 CD GLU A 59 -11.120 -14.231 0.641 1.00 2.24 C ATOM 908 OE1 GLU A 59 -12.303 -14.480 0.956 1.00 43.42 O ATOM 909 OE2 GLU A 59 -10.252 -15.115 0.483 1.00 35.04 O ATOM 0 H GLU A 59 -13.035 -10.702 -1.938 1.00 32.14 H new ATOM 0 HA GLU A 59 -11.363 -10.227 0.256 1.00 11.31 H new ATOM 0 HB2 GLU A 59 -12.488 -12.399 -0.696 1.00 51.04 H new ATOM 0 HB3 GLU A 59 -11.031 -12.543 -1.660 1.00 51.04 H new ATOM 0 HG2 GLU A 59 -9.641 -12.726 0.284 1.00 22.31 H new ATOM 0 HG3 GLU A 59 -10.937 -12.220 1.350 1.00 22.31 H new ATOM 916 N MET A 60 -9.788 -10.427 -2.650 1.00 21.34 N ATOM 917 CA MET A 60 -8.542 -10.094 -3.330 1.00 52.54 C ATOM 918 C MET A 60 -8.344 -8.582 -3.391 1.00 60.34 C ATOM 919 O MET A 60 -7.214 -8.094 -3.366 1.00 41.14 O ATOM 920 CB MET A 60 -8.536 -10.678 -4.744 1.00 54.13 C ATOM 921 CG MET A 60 -8.971 -12.133 -4.802 1.00 71.41 C ATOM 922 SD MET A 60 -8.775 -12.852 -6.444 1.00 74.01 S ATOM 923 CE MET A 60 -7.402 -13.967 -6.164 1.00 44.33 C ATOM 0 H MET A 60 -10.505 -10.827 -3.255 1.00 21.34 H new ATOM 0 HA MET A 60 -7.719 -10.528 -2.762 1.00 52.54 H new ATOM 0 HB2 MET A 60 -9.196 -10.084 -5.376 1.00 54.13 H new ATOM 0 HB3 MET A 60 -7.532 -10.590 -5.160 1.00 54.13 H new ATOM 0 HG2 MET A 60 -8.389 -12.711 -4.085 1.00 71.41 H new ATOM 0 HG3 MET A 60 -10.015 -12.208 -4.499 1.00 71.41 H new ATOM 0 HE1 MET A 60 -7.161 -14.487 -7.091 1.00 44.33 H new ATOM 0 HE2 MET A 60 -6.534 -13.398 -5.831 1.00 44.33 H new ATOM 0 HE3 MET A 60 -7.674 -14.695 -5.400 1.00 44.33 H new ATOM 933 N ILE A 61 -9.448 -7.848 -3.472 1.00 34.01 N ATOM 934 CA ILE A 61 -9.395 -6.393 -3.536 1.00 3.25 C ATOM 935 C ILE A 61 -8.968 -5.799 -2.197 1.00 72.42 C ATOM 936 O ILE A 61 -8.465 -4.677 -2.136 1.00 61.41 O ATOM 937 CB ILE A 61 -10.756 -5.796 -3.938 1.00 73.32 C ATOM 938 CG1 ILE A 61 -11.130 -6.234 -5.356 1.00 34.33 C ATOM 939 CG2 ILE A 61 -10.720 -4.279 -3.839 1.00 43.43 C ATOM 940 CD1 ILE A 61 -12.448 -5.666 -5.836 1.00 23.42 C ATOM 0 H ILE A 61 -10.391 -8.237 -3.495 1.00 34.01 H new ATOM 0 HA ILE A 61 -8.657 -6.138 -4.297 1.00 3.25 H new ATOM 0 HB ILE A 61 -11.516 -6.167 -3.250 1.00 73.32 H new ATOM 0 HG12 ILE A 61 -10.340 -5.928 -6.042 1.00 34.33 H new ATOM 0 HG13 ILE A 61 -11.178 -7.322 -5.391 1.00 34.33 H new ATOM 0 HG21 ILE A 61 -11.690 -3.873 -4.127 1.00 43.43 H new ATOM 0 HG22 ILE A 61 -10.494 -3.987 -2.814 1.00 43.43 H new ATOM 0 HG23 ILE A 61 -9.951 -3.889 -4.506 1.00 43.43 H new ATOM 0 HD11 ILE A 61 -12.649 -6.018 -6.848 1.00 23.42 H new ATOM 0 HD12 ILE A 61 -13.248 -5.993 -5.172 1.00 23.42 H new ATOM 0 HD13 ILE A 61 -12.397 -4.577 -5.834 1.00 23.42 H new ATOM 952 N ASP A 62 -9.171 -6.560 -1.127 1.00 71.44 N ATOM 953 CA ASP A 62 -8.805 -6.111 0.211 1.00 61.41 C ATOM 954 C ASP A 62 -7.291 -5.979 0.344 1.00 11.04 C ATOM 955 O ASP A 62 -6.787 -4.954 0.801 1.00 44.20 O ATOM 956 CB ASP A 62 -9.339 -7.085 1.263 1.00 61.25 C ATOM 957 CG ASP A 62 -9.328 -6.493 2.658 1.00 24.43 C ATOM 958 OD1 ASP A 62 -10.130 -5.573 2.919 1.00 13.23 O ATOM 959 OD2 ASP A 62 -8.517 -6.951 3.490 1.00 64.52 O ATOM 0 H ASP A 62 -9.587 -7.491 -1.160 1.00 71.44 H new ATOM 0 HA ASP A 62 -9.253 -5.131 0.374 1.00 61.41 H new ATOM 0 HB2 ASP A 62 -10.357 -7.375 1.002 1.00 61.25 H new ATOM 0 HB3 ASP A 62 -8.737 -7.993 1.252 1.00 61.25 H new ATOM 964 N GLU A 63 -6.573 -7.024 -0.056 1.00 50.43 N ATOM 965 CA GLU A 63 -5.117 -7.024 0.021 1.00 41.50 C ATOM 966 C GLU A 63 -4.517 -6.078 -1.016 1.00 11.24 C ATOM 967 O GLU A 63 -3.393 -5.601 -0.861 1.00 24.15 O ATOM 968 CB GLU A 63 -4.573 -8.438 -0.188 1.00 61.32 C ATOM 969 CG GLU A 63 -3.601 -8.883 0.892 1.00 42.51 C ATOM 970 CD GLU A 63 -2.281 -8.138 0.831 1.00 31.20 C ATOM 971 OE1 GLU A 63 -2.257 -6.944 1.197 1.00 23.44 O ATOM 972 OE2 GLU A 63 -1.274 -8.749 0.417 1.00 5.51 O ATOM 0 H GLU A 63 -6.976 -7.881 -0.436 1.00 50.43 H new ATOM 0 HA GLU A 63 -4.832 -6.676 1.014 1.00 41.50 H new ATOM 0 HB2 GLU A 63 -5.408 -9.138 -0.224 1.00 61.32 H new ATOM 0 HB3 GLU A 63 -4.074 -8.487 -1.156 1.00 61.32 H new ATOM 0 HG2 GLU A 63 -4.056 -8.730 1.871 1.00 42.51 H new ATOM 0 HG3 GLU A 63 -3.416 -9.952 0.791 1.00 42.51 H new ATOM 979 N VAL A 64 -5.276 -5.811 -2.074 1.00 1.01 N ATOM 980 CA VAL A 64 -4.821 -4.922 -3.136 1.00 61.34 C ATOM 981 C VAL A 64 -5.019 -3.460 -2.753 1.00 32.33 C ATOM 982 O VAL A 64 -4.100 -2.649 -2.862 1.00 41.25 O ATOM 983 CB VAL A 64 -5.563 -5.200 -4.457 1.00 72.40 C ATOM 984 CG1 VAL A 64 -5.168 -4.183 -5.516 1.00 51.23 C ATOM 985 CG2 VAL A 64 -5.284 -6.617 -4.936 1.00 54.14 C ATOM 0 H VAL A 64 -6.209 -6.198 -2.218 1.00 1.01 H new ATOM 0 HA VAL A 64 -3.758 -5.116 -3.277 1.00 61.34 H new ATOM 0 HB VAL A 64 -6.634 -5.105 -4.279 1.00 72.40 H new ATOM 0 HG11 VAL A 64 -5.702 -4.396 -6.442 1.00 51.23 H new ATOM 0 HG12 VAL A 64 -5.424 -3.181 -5.171 1.00 51.23 H new ATOM 0 HG13 VAL A 64 -4.094 -4.242 -5.695 1.00 51.23 H new ATOM 0 HG21 VAL A 64 -5.816 -6.797 -5.870 1.00 54.14 H new ATOM 0 HG22 VAL A 64 -4.213 -6.742 -5.098 1.00 54.14 H new ATOM 0 HG23 VAL A 64 -5.623 -7.329 -4.183 1.00 54.14 H new ATOM 995 N ASP A 65 -6.225 -3.131 -2.302 1.00 23.21 N ATOM 996 CA ASP A 65 -6.544 -1.766 -1.900 1.00 32.33 C ATOM 997 C ASP A 65 -5.702 -1.342 -0.700 1.00 72.04 C ATOM 998 O ASP A 65 -5.916 -1.811 0.417 1.00 72.33 O ATOM 999 CB ASP A 65 -8.031 -1.646 -1.563 1.00 32.14 C ATOM 1000 CG ASP A 65 -8.550 -0.232 -1.731 1.00 15.34 C ATOM 1001 OD1 ASP A 65 -7.724 0.705 -1.759 1.00 72.54 O ATOM 1002 OD2 ASP A 65 -9.783 -0.061 -1.834 1.00 70.12 O ATOM 0 H ASP A 65 -6.997 -3.791 -2.206 1.00 23.21 H new ATOM 0 HA ASP A 65 -6.314 -1.104 -2.735 1.00 32.33 H new ATOM 0 HB2 ASP A 65 -8.601 -2.318 -2.204 1.00 32.14 H new ATOM 0 HB3 ASP A 65 -8.195 -1.971 -0.535 1.00 32.14 H new ATOM 1007 N GLU A 66 -4.744 -0.453 -0.941 1.00 50.44 N ATOM 1008 CA GLU A 66 -3.869 0.033 0.119 1.00 21.22 C ATOM 1009 C GLU A 66 -4.650 0.869 1.129 1.00 61.11 C ATOM 1010 O GLU A 66 -4.392 0.810 2.331 1.00 1.13 O ATOM 1011 CB GLU A 66 -2.727 0.862 -0.471 1.00 44.12 C ATOM 1012 CG GLU A 66 -1.905 0.115 -1.508 1.00 24.21 C ATOM 1013 CD GLU A 66 -1.331 1.033 -2.570 1.00 32.30 C ATOM 1014 OE1 GLU A 66 -1.359 2.265 -2.366 1.00 72.34 O ATOM 1015 OE2 GLU A 66 -0.855 0.520 -3.604 1.00 71.21 O ATOM 0 H GLU A 66 -4.554 -0.055 -1.861 1.00 50.44 H new ATOM 0 HA GLU A 66 -3.451 -0.832 0.635 1.00 21.22 H new ATOM 0 HB2 GLU A 66 -3.140 1.762 -0.927 1.00 44.12 H new ATOM 0 HB3 GLU A 66 -2.070 1.186 0.336 1.00 44.12 H new ATOM 0 HG2 GLU A 66 -1.091 -0.412 -1.010 1.00 24.21 H new ATOM 0 HG3 GLU A 66 -2.529 -0.641 -1.985 1.00 24.21 H new ATOM 1022 N ASP A 67 -5.605 1.647 0.631 1.00 22.22 N ATOM 1023 CA ASP A 67 -6.424 2.495 1.489 1.00 54.13 C ATOM 1024 C ASP A 67 -7.754 1.820 1.810 1.00 71.12 C ATOM 1025 O ASP A 67 -8.524 2.305 2.638 1.00 20.40 O ATOM 1026 CB ASP A 67 -6.674 3.847 0.817 1.00 25.51 C ATOM 1027 CG ASP A 67 -7.107 3.703 -0.629 1.00 2.44 C ATOM 1028 OD1 ASP A 67 -8.246 3.250 -0.865 1.00 14.02 O ATOM 1029 OD2 ASP A 67 -6.307 4.046 -1.524 1.00 24.31 O ATOM 0 H ASP A 67 -5.831 1.708 -0.362 1.00 22.22 H new ATOM 0 HA ASP A 67 -5.884 2.655 2.422 1.00 54.13 H new ATOM 0 HB2 ASP A 67 -7.441 4.389 1.371 1.00 25.51 H new ATOM 0 HB3 ASP A 67 -5.765 4.446 0.863 1.00 25.51 H new ATOM 1034 N GLY A 68 -8.018 0.698 1.147 1.00 23.31 N ATOM 1035 CA GLY A 68 -9.255 -0.025 1.375 1.00 74.02 C ATOM 1036 C GLY A 68 -10.477 0.864 1.250 1.00 30.41 C ATOM 1037 O GLY A 68 -11.377 0.815 2.089 1.00 63.02 O ATOM 0 H GLY A 68 -7.397 0.277 0.456 1.00 23.31 H new ATOM 0 HA2 GLY A 68 -9.331 -0.844 0.660 1.00 74.02 H new ATOM 0 HA3 GLY A 68 -9.234 -0.471 2.369 1.00 74.02 H new ATOM 1041 N SER A 69 -10.509 1.679 0.201 1.00 0.31 N ATOM 1042 CA SER A 69 -11.627 2.587 -0.027 1.00 40.25 C ATOM 1043 C SER A 69 -12.823 1.840 -0.611 1.00 3.52 C ATOM 1044 O SER A 69 -13.889 2.418 -0.819 1.00 4.51 O ATOM 1045 CB SER A 69 -11.209 3.718 -0.969 1.00 43.21 C ATOM 1046 OG SER A 69 -10.538 3.211 -2.109 1.00 64.53 O ATOM 0 H SER A 69 -9.774 1.729 -0.504 1.00 0.31 H new ATOM 0 HA SER A 69 -11.919 3.012 0.933 1.00 40.25 H new ATOM 0 HB2 SER A 69 -12.090 4.279 -1.281 1.00 43.21 H new ATOM 0 HB3 SER A 69 -10.558 4.414 -0.440 1.00 43.21 H new ATOM 0 HG SER A 69 -9.569 3.267 -1.970 1.00 64.53 H new ATOM 1052 N GLY A 70 -12.636 0.550 -0.873 1.00 14.21 N ATOM 1053 CA GLY A 70 -13.707 -0.256 -1.430 1.00 10.32 C ATOM 1054 C GLY A 70 -13.511 -0.540 -2.906 1.00 22.53 C ATOM 1055 O GLY A 70 -14.216 -1.367 -3.486 1.00 43.10 O ATOM 0 H GLY A 70 -11.763 0.049 -0.710 1.00 14.21 H new ATOM 0 HA2 GLY A 70 -13.768 -1.199 -0.887 1.00 10.32 H new ATOM 0 HA3 GLY A 70 -14.657 0.258 -1.285 1.00 10.32 H new ATOM 1059 N THR A 71 -12.551 0.147 -3.517 1.00 23.30 N ATOM 1060 CA THR A 71 -12.266 -0.034 -4.935 1.00 25.23 C ATOM 1061 C THR A 71 -10.774 0.106 -5.218 1.00 32.43 C ATOM 1062 O THR A 71 -10.019 0.612 -4.388 1.00 13.33 O ATOM 1063 CB THR A 71 -13.038 0.982 -5.797 1.00 64.12 C ATOM 1064 OG1 THR A 71 -12.493 2.293 -5.615 1.00 3.52 O ATOM 1065 CG2 THR A 71 -14.515 0.986 -5.436 1.00 13.43 C ATOM 0 H THR A 71 -11.958 0.834 -3.052 1.00 23.30 H new ATOM 0 HA THR A 71 -12.590 -1.041 -5.197 1.00 25.23 H new ATOM 0 HB THR A 71 -12.937 0.689 -6.842 1.00 64.12 H new ATOM 0 HG1 THR A 71 -13.081 2.953 -6.038 1.00 3.52 H new ATOM 0 HG21 THR A 71 -15.040 1.711 -6.058 1.00 13.43 H new ATOM 0 HG22 THR A 71 -14.933 -0.006 -5.604 1.00 13.43 H new ATOM 0 HG23 THR A 71 -14.632 1.256 -4.386 1.00 13.43 H new ATOM 1073 N VAL A 72 -10.355 -0.346 -6.395 1.00 71.45 N ATOM 1074 CA VAL A 72 -8.953 -0.270 -6.789 1.00 13.21 C ATOM 1075 C VAL A 72 -8.720 0.872 -7.771 1.00 43.51 C ATOM 1076 O VAL A 72 -9.419 0.992 -8.777 1.00 42.34 O ATOM 1077 CB VAL A 72 -8.477 -1.588 -7.428 1.00 50.44 C ATOM 1078 CG1 VAL A 72 -7.265 -1.344 -8.314 1.00 42.12 C ATOM 1079 CG2 VAL A 72 -8.164 -2.618 -6.354 1.00 71.21 C ATOM 0 H VAL A 72 -10.967 -0.769 -7.093 1.00 71.45 H new ATOM 0 HA VAL A 72 -8.378 -0.088 -5.881 1.00 13.21 H new ATOM 0 HB VAL A 72 -9.280 -1.980 -8.052 1.00 50.44 H new ATOM 0 HG11 VAL A 72 -6.943 -2.286 -8.757 1.00 42.12 H new ATOM 0 HG12 VAL A 72 -7.528 -0.642 -9.105 1.00 42.12 H new ATOM 0 HG13 VAL A 72 -6.454 -0.928 -7.715 1.00 42.12 H new ATOM 0 HG21 VAL A 72 -7.829 -3.543 -6.823 1.00 71.21 H new ATOM 0 HG22 VAL A 72 -7.378 -2.237 -5.702 1.00 71.21 H new ATOM 0 HG23 VAL A 72 -9.060 -2.814 -5.765 1.00 71.21 H new ATOM 1089 N ASP A 73 -7.732 1.709 -7.472 1.00 53.45 N ATOM 1090 CA ASP A 73 -7.405 2.842 -8.330 1.00 44.41 C ATOM 1091 C ASP A 73 -6.245 2.502 -9.261 1.00 4.15 C ATOM 1092 O ASP A 73 -5.639 1.436 -9.150 1.00 71.35 O ATOM 1093 CB ASP A 73 -7.053 4.066 -7.483 1.00 23.05 C ATOM 1094 CG ASP A 73 -5.778 3.871 -6.685 1.00 34.32 C ATOM 1095 OD1 ASP A 73 -5.351 2.708 -6.526 1.00 45.43 O ATOM 1096 OD2 ASP A 73 -5.209 4.880 -6.218 1.00 75.02 O ATOM 0 H ASP A 73 -7.144 1.624 -6.643 1.00 53.45 H new ATOM 0 HA ASP A 73 -8.281 3.070 -8.938 1.00 44.41 H new ATOM 0 HB2 ASP A 73 -6.942 4.934 -8.133 1.00 23.05 H new ATOM 0 HB3 ASP A 73 -7.876 4.281 -6.801 1.00 23.05 H new ATOM 1101 N PHE A 74 -5.941 3.415 -10.177 1.00 62.24 N ATOM 1102 CA PHE A 74 -4.855 3.211 -11.129 1.00 22.50 C ATOM 1103 C PHE A 74 -3.570 2.811 -10.410 1.00 5.52 C ATOM 1104 O PHE A 74 -2.768 2.037 -10.933 1.00 3.24 O ATOM 1105 CB PHE A 74 -4.621 4.481 -11.948 1.00 44.34 C ATOM 1106 CG PHE A 74 -3.741 4.268 -13.147 1.00 75.14 C ATOM 1107 CD1 PHE A 74 -3.909 3.156 -13.957 1.00 22.35 C ATOM 1108 CD2 PHE A 74 -2.747 5.179 -13.465 1.00 13.31 C ATOM 1109 CE1 PHE A 74 -3.102 2.956 -15.061 1.00 3.52 C ATOM 1110 CE2 PHE A 74 -1.938 4.986 -14.568 1.00 64.40 C ATOM 1111 CZ PHE A 74 -2.114 3.872 -15.366 1.00 51.33 C ATOM 0 H PHE A 74 -6.431 4.303 -10.281 1.00 62.24 H new ATOM 0 HA PHE A 74 -5.141 2.402 -11.801 1.00 22.50 H new ATOM 0 HB2 PHE A 74 -5.583 4.873 -12.278 1.00 44.34 H new ATOM 0 HB3 PHE A 74 -4.171 5.239 -11.307 1.00 44.34 H new ATOM 0 HD1 PHE A 74 -4.680 2.437 -13.723 1.00 22.35 H new ATOM 0 HD2 PHE A 74 -2.603 6.050 -12.843 1.00 13.31 H new ATOM 0 HE1 PHE A 74 -3.244 2.085 -15.684 1.00 3.52 H new ATOM 0 HE2 PHE A 74 -1.169 5.705 -14.806 1.00 64.40 H new ATOM 0 HZ PHE A 74 -1.480 3.718 -16.227 1.00 51.33 H new ATOM 1121 N ASP A 75 -3.381 3.346 -9.209 1.00 4.24 N ATOM 1122 CA ASP A 75 -2.193 3.046 -8.416 1.00 54.54 C ATOM 1123 C ASP A 75 -2.164 1.574 -8.018 1.00 3.34 C ATOM 1124 O ASP A 75 -1.249 0.840 -8.389 1.00 73.34 O ATOM 1125 CB ASP A 75 -2.153 3.927 -7.167 1.00 5.14 C ATOM 1126 CG ASP A 75 -1.876 5.382 -7.492 1.00 71.21 C ATOM 1127 OD1 ASP A 75 -0.928 5.648 -8.261 1.00 12.45 O ATOM 1128 OD2 ASP A 75 -2.608 6.254 -6.979 1.00 72.43 O ATOM 0 H ASP A 75 -4.035 3.990 -8.763 1.00 4.24 H new ATOM 0 HA ASP A 75 -1.315 3.256 -9.027 1.00 54.54 H new ATOM 0 HB2 ASP A 75 -3.105 3.850 -6.641 1.00 5.14 H new ATOM 0 HB3 ASP A 75 -1.384 3.557 -6.489 1.00 5.14 H new ATOM 1133 N GLU A 76 -3.170 1.152 -7.258 1.00 65.41 N ATOM 1134 CA GLU A 76 -3.256 -0.233 -6.808 1.00 15.53 C ATOM 1135 C GLU A 76 -3.387 -1.183 -7.994 1.00 31.51 C ATOM 1136 O GLU A 76 -2.688 -2.194 -8.073 1.00 10.32 O ATOM 1137 CB GLU A 76 -4.447 -0.411 -5.863 1.00 71.03 C ATOM 1138 CG GLU A 76 -4.279 0.299 -4.531 1.00 0.42 C ATOM 1139 CD GLU A 76 -5.570 0.921 -4.034 1.00 42.01 C ATOM 1140 OE1 GLU A 76 -6.651 0.422 -4.411 1.00 11.40 O ATOM 1141 OE2 GLU A 76 -5.499 1.906 -3.269 1.00 71.44 O ATOM 0 H GLU A 76 -3.935 1.748 -6.942 1.00 65.41 H new ATOM 0 HA GLU A 76 -2.337 -0.473 -6.273 1.00 15.53 H new ATOM 0 HB2 GLU A 76 -5.347 -0.039 -6.352 1.00 71.03 H new ATOM 0 HB3 GLU A 76 -4.600 -1.475 -5.681 1.00 71.03 H new ATOM 0 HG2 GLU A 76 -3.913 -0.411 -3.789 1.00 0.42 H new ATOM 0 HG3 GLU A 76 -3.521 1.076 -4.631 1.00 0.42 H new ATOM 1148 N TRP A 77 -4.287 -0.853 -8.913 1.00 1.21 N ATOM 1149 CA TRP A 77 -4.510 -1.677 -10.095 1.00 71.32 C ATOM 1150 C TRP A 77 -3.194 -1.988 -10.799 1.00 4.13 C ATOM 1151 O TRP A 77 -3.052 -3.030 -11.441 1.00 1.52 O ATOM 1152 CB TRP A 77 -5.465 -0.973 -11.061 1.00 3.13 C ATOM 1153 CG TRP A 77 -6.274 -1.921 -11.893 1.00 44.25 C ATOM 1154 CD1 TRP A 77 -7.402 -2.588 -11.512 1.00 74.43 C ATOM 1155 CD2 TRP A 77 -6.014 -2.308 -13.247 1.00 53.54 C ATOM 1156 NE1 TRP A 77 -7.860 -3.367 -12.548 1.00 14.13 N ATOM 1157 CE2 TRP A 77 -7.027 -3.212 -13.624 1.00 1.44 C ATOM 1158 CE3 TRP A 77 -5.027 -1.977 -14.179 1.00 42.41 C ATOM 1159 CZ2 TRP A 77 -7.077 -3.788 -14.890 1.00 52.52 C ATOM 1160 CZ3 TRP A 77 -5.078 -2.549 -15.436 1.00 21.33 C ATOM 1161 CH2 TRP A 77 -6.097 -3.446 -15.782 1.00 55.24 C ATOM 0 H TRP A 77 -4.874 -0.021 -8.862 1.00 1.21 H new ATOM 0 HA TRP A 77 -4.958 -2.616 -9.772 1.00 71.32 H new ATOM 0 HB2 TRP A 77 -6.140 -0.334 -10.492 1.00 3.13 H new ATOM 0 HB3 TRP A 77 -4.890 -0.323 -11.720 1.00 3.13 H new ATOM 0 HD1 TRP A 77 -7.866 -2.515 -10.540 1.00 74.43 H new ATOM 0 HE1 TRP A 77 -8.687 -3.964 -12.520 1.00 14.13 H new ATOM 0 HE3 TRP A 77 -4.238 -1.286 -13.921 1.00 42.41 H new ATOM 0 HZ2 TRP A 77 -7.861 -4.480 -15.159 1.00 52.52 H new ATOM 0 HZ3 TRP A 77 -4.320 -2.300 -16.164 1.00 21.33 H new ATOM 0 HH2 TRP A 77 -6.109 -3.876 -16.773 1.00 55.24 H new ATOM 1172 N LEU A 78 -2.233 -1.079 -10.674 1.00 64.32 N ATOM 1173 CA LEU A 78 -0.926 -1.257 -11.298 1.00 51.14 C ATOM 1174 C LEU A 78 -0.174 -2.423 -10.665 1.00 2.34 C ATOM 1175 O LEU A 78 0.501 -3.188 -11.354 1.00 33.24 O ATOM 1176 CB LEU A 78 -0.101 0.025 -11.174 1.00 50.22 C ATOM 1177 CG LEU A 78 0.475 0.582 -12.477 1.00 31.41 C ATOM 1178 CD1 LEU A 78 1.414 1.743 -12.192 1.00 43.10 C ATOM 1179 CD2 LEU A 78 1.196 -0.512 -13.251 1.00 74.14 C ATOM 0 H LEU A 78 -2.334 -0.212 -10.147 1.00 64.32 H new ATOM 0 HA LEU A 78 -1.082 -1.480 -12.353 1.00 51.14 H new ATOM 0 HB2 LEU A 78 -0.727 0.793 -10.719 1.00 50.22 H new ATOM 0 HB3 LEU A 78 0.724 -0.163 -10.487 1.00 50.22 H new ATOM 0 HG LEU A 78 -0.349 0.950 -13.089 1.00 31.41 H new ATOM 0 HD11 LEU A 78 1.814 2.126 -13.131 1.00 43.10 H new ATOM 0 HD12 LEU A 78 0.868 2.535 -11.680 1.00 43.10 H new ATOM 0 HD13 LEU A 78 2.234 1.401 -11.561 1.00 43.10 H new ATOM 0 HD21 LEU A 78 1.600 -0.098 -14.175 1.00 74.14 H new ATOM 0 HD22 LEU A 78 2.010 -0.910 -12.645 1.00 74.14 H new ATOM 0 HD23 LEU A 78 0.495 -1.313 -13.488 1.00 74.14 H new ATOM 1191 N VAL A 79 -0.296 -2.553 -9.347 1.00 42.03 N ATOM 1192 CA VAL A 79 0.370 -3.628 -8.620 1.00 55.44 C ATOM 1193 C VAL A 79 -0.121 -4.993 -9.088 1.00 35.24 C ATOM 1194 O VAL A 79 0.655 -5.943 -9.186 1.00 0.25 O ATOM 1195 CB VAL A 79 0.141 -3.504 -7.102 1.00 52.23 C ATOM 1196 CG1 VAL A 79 0.949 -4.552 -6.353 1.00 61.11 C ATOM 1197 CG2 VAL A 79 0.494 -2.104 -6.623 1.00 53.22 C ATOM 0 H VAL A 79 -0.850 -1.928 -8.761 1.00 42.03 H new ATOM 0 HA VAL A 79 1.436 -3.538 -8.827 1.00 55.44 H new ATOM 0 HB VAL A 79 -0.915 -3.678 -6.896 1.00 52.23 H new ATOM 0 HG11 VAL A 79 0.775 -4.449 -5.282 1.00 61.11 H new ATOM 0 HG12 VAL A 79 0.643 -5.547 -6.676 1.00 61.11 H new ATOM 0 HG13 VAL A 79 2.009 -4.412 -6.563 1.00 61.11 H new ATOM 0 HG21 VAL A 79 0.326 -2.034 -5.548 1.00 53.22 H new ATOM 0 HG22 VAL A 79 1.542 -1.898 -6.841 1.00 53.22 H new ATOM 0 HG23 VAL A 79 -0.133 -1.375 -7.136 1.00 53.22 H new ATOM 1207 N MET A 80 -1.416 -5.084 -9.375 1.00 42.13 N ATOM 1208 CA MET A 80 -2.010 -6.334 -9.834 1.00 54.24 C ATOM 1209 C MET A 80 -1.221 -6.914 -11.004 1.00 13.11 C ATOM 1210 O MET A 80 -0.733 -8.041 -10.936 1.00 61.53 O ATOM 1211 CB MET A 80 -3.466 -6.109 -10.248 1.00 32.33 C ATOM 1212 CG MET A 80 -4.392 -7.249 -9.854 1.00 53.41 C ATOM 1213 SD MET A 80 -6.039 -6.677 -9.394 1.00 33.54 S ATOM 1214 CE MET A 80 -6.363 -5.492 -10.696 1.00 50.33 C ATOM 0 H MET A 80 -2.073 -4.308 -9.298 1.00 42.13 H new ATOM 0 HA MET A 80 -1.979 -7.046 -9.009 1.00 54.24 H new ATOM 0 HB2 MET A 80 -3.826 -5.186 -9.794 1.00 32.33 H new ATOM 0 HB3 MET A 80 -3.511 -5.972 -11.328 1.00 32.33 H new ATOM 0 HG2 MET A 80 -4.474 -7.950 -10.685 1.00 53.41 H new ATOM 0 HG3 MET A 80 -3.955 -7.795 -9.018 1.00 53.41 H new ATOM 0 HE1 MET A 80 -7.431 -5.277 -10.735 1.00 50.33 H new ATOM 0 HE2 MET A 80 -5.814 -4.572 -10.495 1.00 50.33 H new ATOM 0 HE3 MET A 80 -6.041 -5.905 -11.652 1.00 50.33 H new ATOM 1224 N MET A 81 -1.101 -6.136 -12.075 1.00 32.12 N ATOM 1225 CA MET A 81 -0.370 -6.574 -13.258 1.00 54.45 C ATOM 1226 C MET A 81 1.059 -6.966 -12.900 1.00 64.53 C ATOM 1227 O MET A 81 1.623 -7.892 -13.483 1.00 60.21 O ATOM 1228 CB MET A 81 -0.358 -5.467 -14.315 1.00 12.24 C ATOM 1229 CG MET A 81 -0.504 -5.983 -15.737 1.00 43.41 C ATOM 1230 SD MET A 81 -2.159 -6.607 -16.084 1.00 33.14 S ATOM 1231 CE MET A 81 -3.129 -5.112 -15.905 1.00 34.24 C ATOM 0 H MET A 81 -1.500 -5.200 -12.148 1.00 32.12 H new ATOM 0 HA MET A 81 -0.877 -7.449 -13.664 1.00 54.45 H new ATOM 0 HB2 MET A 81 -1.168 -4.768 -14.106 1.00 12.24 H new ATOM 0 HB3 MET A 81 0.575 -4.909 -14.234 1.00 12.24 H new ATOM 0 HG2 MET A 81 -0.269 -5.181 -16.436 1.00 43.41 H new ATOM 0 HG3 MET A 81 0.223 -6.778 -15.907 1.00 43.41 H new ATOM 0 HE1 MET A 81 -3.855 -5.243 -15.103 1.00 34.24 H new ATOM 0 HE2 MET A 81 -2.470 -4.277 -15.665 1.00 34.24 H new ATOM 0 HE3 MET A 81 -3.653 -4.904 -16.838 1.00 34.24 H new ATOM 1241 N ALA A 82 1.640 -6.256 -11.939 1.00 22.44 N ATOM 1242 CA ALA A 82 3.003 -6.533 -11.502 1.00 42.42 C ATOM 1243 C ALA A 82 3.142 -7.970 -11.012 1.00 61.14 C ATOM 1244 O ALA A 82 4.138 -8.637 -11.291 1.00 65.24 O ATOM 1245 CB ALA A 82 3.415 -5.558 -10.408 1.00 72.34 C ATOM 0 H ALA A 82 1.188 -5.485 -11.448 1.00 22.44 H new ATOM 0 HA ALA A 82 3.665 -6.403 -12.358 1.00 42.42 H new ATOM 0 HB1 ALA A 82 4.435 -5.776 -10.091 1.00 72.34 H new ATOM 0 HB2 ALA A 82 3.364 -4.539 -10.791 1.00 72.34 H new ATOM 0 HB3 ALA A 82 2.741 -5.660 -9.557 1.00 72.34 H new ATOM 1251 N ARG A 83 2.138 -8.441 -10.281 1.00 15.33 N ATOM 1252 CA ARG A 83 2.149 -9.799 -9.751 1.00 2.24 C ATOM 1253 C ARG A 83 2.092 -10.824 -10.880 1.00 3.43 C ATOM 1254 O ARG A 83 2.526 -11.965 -10.718 1.00 4.20 O ATOM 1255 CB ARG A 83 0.970 -10.007 -8.798 1.00 63.52 C ATOM 1256 CG ARG A 83 -0.265 -10.579 -9.474 1.00 71.23 C ATOM 1257 CD ARG A 83 -1.538 -10.155 -8.759 1.00 72.10 C ATOM 1258 NE ARG A 83 -2.594 -11.157 -8.881 1.00 11.30 N ATOM 1259 CZ ARG A 83 -3.740 -11.101 -8.212 1.00 33.40 C ATOM 1260 NH1 ARG A 83 -3.977 -10.098 -7.378 1.00 55.14 N ATOM 1261 NH2 ARG A 83 -4.653 -12.051 -8.377 1.00 5.15 N ATOM 0 H ARG A 83 1.306 -7.902 -10.042 1.00 15.33 H new ATOM 0 HA ARG A 83 3.080 -9.940 -9.202 1.00 2.24 H new ATOM 0 HB2 ARG A 83 1.277 -10.676 -7.994 1.00 63.52 H new ATOM 0 HB3 ARG A 83 0.713 -9.053 -8.338 1.00 63.52 H new ATOM 0 HG2 ARG A 83 -0.301 -10.246 -10.511 1.00 71.23 H new ATOM 0 HG3 ARG A 83 -0.201 -11.667 -9.491 1.00 71.23 H new ATOM 0 HD2 ARG A 83 -1.321 -9.983 -7.705 1.00 72.10 H new ATOM 0 HD3 ARG A 83 -1.887 -9.208 -9.171 1.00 72.10 H new ATOM 0 HE ARG A 83 -2.443 -11.942 -9.514 1.00 11.30 H new ATOM 0 HH11 ARG A 83 -3.278 -9.366 -7.249 1.00 55.14 H new ATOM 0 HH12 ARG A 83 -4.858 -10.058 -6.866 1.00 55.14 H new ATOM 0 HH21 ARG A 83 -4.474 -12.824 -9.018 1.00 5.15 H new ATOM 0 HH22 ARG A 83 -5.533 -12.007 -7.863 1.00 5.15 H new ATOM 1275 N CYS A 84 1.554 -10.409 -12.021 1.00 44.02 N ATOM 1276 CA CYS A 84 1.439 -11.291 -13.177 1.00 63.22 C ATOM 1277 C CYS A 84 2.811 -11.586 -13.775 1.00 42.41 C ATOM 1278 O CYS A 84 2.968 -12.514 -14.567 1.00 75.32 O ATOM 1279 CB CYS A 84 0.532 -10.663 -14.236 1.00 42.11 C ATOM 1280 SG CYS A 84 -1.112 -10.218 -13.630 1.00 1.45 S ATOM 0 H CYS A 84 1.191 -9.468 -12.171 1.00 44.02 H new ATOM 0 HA CYS A 84 0.999 -12.231 -12.843 1.00 63.22 H new ATOM 0 HB2 CYS A 84 1.016 -9.770 -14.630 1.00 42.11 H new ATOM 0 HB3 CYS A 84 0.425 -11.360 -15.067 1.00 42.11 H new ATOM 0 HG CYS A 84 -0.998 -9.406 -12.621 1.00 1.45 H new ATOM 1286 N MET A 85 3.802 -10.787 -13.391 1.00 71.13 N ATOM 1287 CA MET A 85 5.161 -10.962 -13.890 1.00 70.32 C ATOM 1288 C MET A 85 5.823 -12.177 -13.248 1.00 25.01 C ATOM 1289 O MET A 85 6.400 -13.019 -13.936 1.00 62.24 O ATOM 1290 CB MET A 85 5.993 -9.708 -13.616 1.00 64.30 C ATOM 1291 CG MET A 85 5.593 -8.515 -14.468 1.00 14.33 C ATOM 1292 SD MET A 85 7.013 -7.574 -15.057 1.00 43.14 S ATOM 1293 CE MET A 85 6.642 -5.951 -14.397 1.00 50.24 C ATOM 0 H MET A 85 3.689 -10.013 -12.736 1.00 71.13 H new ATOM 0 HA MET A 85 5.108 -11.126 -14.966 1.00 70.32 H new ATOM 0 HB2 MET A 85 5.897 -9.441 -12.564 1.00 64.30 H new ATOM 0 HB3 MET A 85 7.045 -9.934 -13.793 1.00 64.30 H new ATOM 0 HG2 MET A 85 5.013 -8.862 -15.323 1.00 14.33 H new ATOM 0 HG3 MET A 85 4.944 -7.860 -13.887 1.00 14.33 H new ATOM 0 HE1 MET A 85 7.363 -5.229 -14.780 1.00 50.24 H new ATOM 0 HE2 MET A 85 5.637 -5.656 -14.700 1.00 50.24 H new ATOM 0 HE3 MET A 85 6.699 -5.979 -13.309 1.00 50.24 H new ATOM 1303 N LYS A 86 5.738 -12.262 -11.925 1.00 13.53 N ATOM 1304 CA LYS A 86 6.328 -13.373 -11.189 1.00 33.43 C ATOM 1305 C LYS A 86 5.526 -14.654 -11.402 1.00 44.44 C ATOM 1306 O LYS A 86 5.946 -15.736 -10.992 1.00 1.44 O ATOM 1307 CB LYS A 86 6.395 -13.045 -9.696 1.00 4.35 C ATOM 1308 CG LYS A 86 7.779 -12.630 -9.226 1.00 40.42 C ATOM 1309 CD LYS A 86 7.722 -11.391 -8.348 1.00 34.23 C ATOM 1310 CE LYS A 86 8.953 -11.278 -7.463 1.00 25.03 C ATOM 1311 NZ LYS A 86 8.953 -12.299 -6.379 1.00 24.13 N ATOM 0 H LYS A 86 5.265 -11.573 -11.340 1.00 13.53 H new ATOM 0 HA LYS A 86 7.338 -13.530 -11.567 1.00 33.43 H new ATOM 0 HB2 LYS A 86 5.690 -12.243 -9.477 1.00 4.35 H new ATOM 0 HB3 LYS A 86 6.073 -13.917 -9.126 1.00 4.35 H new ATOM 0 HG2 LYS A 86 8.237 -13.449 -8.671 1.00 40.42 H new ATOM 0 HG3 LYS A 86 8.415 -12.436 -10.090 1.00 40.42 H new ATOM 0 HD2 LYS A 86 7.641 -10.503 -8.975 1.00 34.23 H new ATOM 0 HD3 LYS A 86 6.827 -11.425 -7.726 1.00 34.23 H new ATOM 0 HE2 LYS A 86 9.850 -11.395 -8.072 1.00 25.03 H new ATOM 0 HE3 LYS A 86 8.994 -10.282 -7.023 1.00 25.03 H new ATOM 0 HZ1 LYS A 86 9.619 -12.013 -5.633 1.00 24.13 H new ATOM 0 HZ2 LYS A 86 7.997 -12.379 -5.978 1.00 24.13 H new ATOM 0 HZ3 LYS A 86 9.244 -13.219 -6.768 1.00 24.13 H new ATOM 1325 N ASP A 87 4.373 -14.523 -12.048 1.00 71.11 N ATOM 1326 CA ASP A 87 3.514 -15.670 -12.319 1.00 21.22 C ATOM 1327 C ASP A 87 3.291 -16.493 -11.054 1.00 4.25 C ATOM 1328 O ASP A 87 3.331 -17.723 -11.086 1.00 12.10 O ATOM 1329 CB ASP A 87 4.128 -16.548 -13.411 1.00 1.51 C ATOM 1330 CG ASP A 87 3.164 -17.603 -13.916 1.00 21.24 C ATOM 1331 OD1 ASP A 87 1.942 -17.430 -13.725 1.00 43.13 O ATOM 1332 OD2 ASP A 87 3.632 -18.603 -14.500 1.00 75.12 O ATOM 0 H ASP A 87 4.011 -13.634 -12.394 1.00 71.11 H new ATOM 0 HA ASP A 87 2.550 -15.296 -12.663 1.00 21.22 H new ATOM 0 HB2 ASP A 87 4.443 -15.920 -14.244 1.00 1.51 H new ATOM 0 HB3 ASP A 87 5.023 -17.034 -13.022 1.00 1.51 H new ATOM 1337 N ASP A 88 3.059 -15.806 -9.941 1.00 14.32 N ATOM 1338 CA ASP A 88 2.829 -16.472 -8.664 1.00 65.42 C ATOM 1339 C ASP A 88 4.044 -17.301 -8.258 1.00 44.30 C ATOM 1340 O ASP A 88 3.915 -18.461 -7.869 1.00 31.31 O ATOM 1341 CB ASP A 88 1.591 -17.367 -8.747 1.00 4.35 C ATOM 1342 CG ASP A 88 1.130 -17.843 -7.383 1.00 55.13 C ATOM 1343 OD1 ASP A 88 1.280 -17.080 -6.406 1.00 21.34 O ATOM 1344 OD2 ASP A 88 0.617 -18.978 -7.294 1.00 53.23 O ATOM 0 H ASP A 88 3.025 -14.788 -9.897 1.00 14.32 H new ATOM 0 HA ASP A 88 2.664 -15.706 -7.907 1.00 65.42 H new ATOM 0 HB2 ASP A 88 0.782 -16.820 -9.230 1.00 4.35 H new ATOM 0 HB3 ASP A 88 1.811 -18.230 -9.375 1.00 4.35 H new ATOM 1349 N SER A 89 5.225 -16.696 -8.352 1.00 74.54 N ATOM 1350 CA SER A 89 6.464 -17.380 -8.000 1.00 14.23 C ATOM 1351 C SER A 89 6.746 -17.256 -6.505 1.00 51.25 C ATOM 1352 O SER A 89 7.122 -18.245 -5.879 1.00 34.25 O ATOM 1353 CB SER A 89 7.634 -16.805 -8.801 1.00 35.23 C ATOM 1354 OG SER A 89 7.742 -17.433 -10.066 1.00 63.33 O ATOM 0 H SER A 89 5.349 -15.734 -8.669 1.00 74.54 H new ATOM 0 HA SER A 89 6.350 -18.436 -8.245 1.00 14.23 H new ATOM 0 HB2 SER A 89 7.495 -15.732 -8.935 1.00 35.23 H new ATOM 0 HB3 SER A 89 8.561 -16.940 -8.244 1.00 35.23 H new ATOM 0 HG SER A 89 7.127 -17.005 -10.697 1.00 63.33 H new TER 1360 SER A 89 HETATM 1361 CA CA A 90 -8.208 2.103 -3.107 1.00 45.54 CA