USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 883 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 ASN : amide:sc= -1.49 K(o=-2.1,f=-8!) USER MOD Set 1.2: A 113 THR OG1 : rot -22:sc= -0.645! USER MOD Set 2.1: A 105 THR OG1 : rot 35:sc= 0.928 USER MOD Set 2.2: A 109 TYR OH : rot -109:sc= 1.71 USER MOD Set 3.1: A 61 LYS NZ :NH3+ 154:sc= 1.19 (180deg=-0.0462) USER MOD Set 3.2: A 73 CYS SG : rot 180:sc= 0.92 USER MOD Set 4.1: A 45 GLN : amide:sc= -0.0301 K(o=-1.5,f=-2.6) USER MOD Set 4.2: A 47 SER OG : rot -160:sc= -1.45! USER MOD Set 5.1: A 34 MET CE :methyl -118:sc= -0.166 (180deg=-2.14!) USER MOD Set 5.2: A 58 HIS : no HD1:sc= -0.0775 X(o=-0.24,f=-0.39) USER MOD Single : A 1 MET CE :methyl -167:sc= -0.591 (180deg=-0.84) USER MOD Single : A 1 MET N :NH3+ -119:sc= 0.23 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.963 X(o=-0.96,f=-1.3) USER MOD Single : A 3 THR OG1 : rot 51:sc= 0.167 USER MOD Single : A 8 GLN : amide:sc= -11.8! C(o=-12!,f=-7.4!) USER MOD Single : A 9 GLN : amide:sc= 0.0234 K(o=0.023,f=-0.52) USER MOD Single : A 10 LYS NZ :NH3+ 166:sc= 0.366 (180deg=0.279) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 36 SER OG : rot 38:sc= 0.69 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 59:sc= 1.18 USER MOD Single : A 49 GLN : amide:sc= -1.5 K(o=-1.5,f=-0.61) USER MOD Single : A 52 TYR OH : rot 165:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -153:sc= -0.202 (180deg=-0.518) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 51:sc= 1.26 USER MOD Single : A 63 SER OG : rot 87:sc= -0.219 USER MOD Single : A 66 SER OG : rot 81:sc= 0.178 USER MOD Single : A 81 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0403) USER MOD Single : A 82 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0431) USER MOD Single : A 84 LYS NZ :NH3+ -155:sc= 1.23 (180deg=1.02) USER MOD Single : A 86 ASN : amide:sc= -1.58 K(o=-1.6,f=-0.015) USER MOD Single : A 87 GLN : amide:sc= -2.15 K(o=-2.1,f=-0.029) USER MOD Single : A 89 GLN : amide:sc= -2.28! C(o=-2.3!,f=-5.8!) USER MOD Single : A 91 GLN : amide:sc= -2.38! C(o=-2.4!,f=-8.3!) USER MOD Single : A 93 MET CE :methyl -158:sc= -1.16 (180deg=-2.56!) USER MOD Single : A 95 THR OG1 : rot 110:sc= 1.28 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl -127:sc= -1.04 (180deg=-2.91!) USER MOD Single : A 103 HIS : no HD1:sc= -3.5! C(o=-3.5!,f=-5.3!) USER MOD Single : A 111 SER OG : rot 79:sc= 1.18 USER MOD Single : A 114 ASN : amide:sc= -0.0561 K(o=-0.056,f=-0.65) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.577 5.507 8.907 1.00 0.00 N ATOM 2 CA MET A 1 1.241 4.904 8.985 1.00 0.00 C ATOM 3 C MET A 1 0.317 5.722 8.097 1.00 0.00 C ATOM 4 O MET A 1 0.743 6.739 7.550 1.00 0.00 O ATOM 5 CB MET A 1 0.746 4.934 10.444 1.00 0.00 C ATOM 6 CG MET A 1 -0.433 4.020 10.735 1.00 0.00 C ATOM 7 SD MET A 1 -0.042 2.326 10.254 1.00 0.00 S ATOM 8 CE MET A 1 -1.381 1.415 11.017 1.00 0.00 C ATOM 0 H1 MET A 1 3.249 4.813 8.523 1.00 0.00 H new ATOM 0 H2 MET A 1 2.546 6.340 8.285 1.00 0.00 H new ATOM 0 H3 MET A 1 2.883 5.796 9.858 1.00 0.00 H new ATOM 0 HA MET A 1 1.261 3.866 8.653 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.572 4.658 11.099 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.466 5.957 10.697 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.678 4.057 11.797 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.313 4.366 10.193 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.150 0.350 11.003 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.505 1.746 12.048 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.304 1.594 10.465 1.00 0.00 H new ATOM 18 N ASN A 2 -0.928 5.295 7.933 1.00 0.00 N ATOM 19 CA ASN A 2 -1.879 6.066 7.155 1.00 0.00 C ATOM 20 C ASN A 2 -2.457 7.084 8.092 1.00 0.00 C ATOM 21 O ASN A 2 -3.074 6.733 9.090 1.00 0.00 O ATOM 22 CB ASN A 2 -3.015 5.226 6.554 1.00 0.00 C ATOM 23 CG ASN A 2 -2.555 4.059 5.710 1.00 0.00 C ATOM 24 OD1 ASN A 2 -1.446 4.032 5.222 1.00 0.00 O ATOM 25 ND2 ASN A 2 -3.446 3.124 5.467 1.00 0.00 N ATOM 0 H ASN A 2 -1.297 4.428 8.325 1.00 0.00 H new ATOM 0 HA ASN A 2 -1.360 6.508 6.304 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.638 4.848 7.365 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.644 5.873 5.943 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -3.213 2.345 4.851 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -4.371 3.177 5.894 1.00 0.00 H new ATOM 32 N THR A 3 -2.198 8.327 7.823 1.00 0.00 N ATOM 33 CA THR A 3 -2.576 9.332 8.767 1.00 0.00 C ATOM 34 C THR A 3 -3.502 10.403 8.166 1.00 0.00 C ATOM 35 O THR A 3 -3.909 10.325 6.970 1.00 0.00 O ATOM 36 CB THR A 3 -1.301 9.928 9.409 1.00 0.00 C ATOM 37 OG1 THR A 3 -1.630 10.832 10.465 1.00 0.00 O ATOM 38 CG2 THR A 3 -0.455 10.649 8.375 1.00 0.00 C ATOM 0 H THR A 3 -1.737 8.664 6.978 1.00 0.00 H new ATOM 0 HA THR A 3 -3.175 8.866 9.550 1.00 0.00 H new ATOM 0 HB THR A 3 -0.729 9.096 9.820 1.00 0.00 H new ATOM 0 HG1 THR A 3 -2.255 10.399 11.083 1.00 0.00 H new ATOM 0 HG21 THR A 3 0.435 11.058 8.854 1.00 0.00 H new ATOM 0 HG22 THR A 3 -0.158 9.948 7.595 1.00 0.00 H new ATOM 0 HG23 THR A 3 -1.034 11.460 7.932 1.00 0.00 H new ATOM 46 N ASP A 4 -3.850 11.369 9.014 1.00 0.00 N ATOM 47 CA ASP A 4 -4.767 12.457 8.683 1.00 0.00 C ATOM 48 C ASP A 4 -4.151 13.410 7.708 1.00 0.00 C ATOM 49 O ASP A 4 -3.548 14.421 8.067 1.00 0.00 O ATOM 50 CB ASP A 4 -5.357 13.192 9.880 1.00 0.00 C ATOM 51 CG ASP A 4 -6.473 14.117 9.433 1.00 0.00 C ATOM 52 OD1 ASP A 4 -7.512 13.601 8.954 1.00 0.00 O ATOM 53 OD2 ASP A 4 -6.350 15.361 9.552 1.00 0.00 O ATOM 0 H ASP A 4 -3.495 11.418 9.969 1.00 0.00 H new ATOM 0 HA ASP A 4 -5.619 11.967 8.212 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -5.740 12.473 10.604 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -4.579 13.767 10.382 1.00 0.00 H new ATOM 58 N VAL A 5 -4.222 13.012 6.466 1.00 0.00 N ATOM 59 CA VAL A 5 -3.687 13.696 5.334 1.00 0.00 C ATOM 60 C VAL A 5 -4.123 12.933 4.089 1.00 0.00 C ATOM 61 O VAL A 5 -4.446 13.518 3.072 1.00 0.00 O ATOM 62 CB VAL A 5 -2.138 13.744 5.409 1.00 0.00 C ATOM 63 CG1 VAL A 5 -1.506 12.358 5.382 1.00 0.00 C ATOM 64 CG2 VAL A 5 -1.558 14.654 4.343 1.00 0.00 C ATOM 0 H VAL A 5 -4.688 12.142 6.208 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.052 14.723 5.307 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.884 14.174 6.378 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.421 12.452 5.437 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.864 11.778 6.233 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.780 11.851 4.457 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.471 14.664 4.425 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.844 14.288 3.357 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.941 15.665 4.480 1.00 0.00 H new ATOM 74 N LEU A 6 -4.193 11.601 4.203 1.00 0.00 N ATOM 75 CA LEU A 6 -4.528 10.791 3.063 1.00 0.00 C ATOM 76 C LEU A 6 -5.582 9.735 3.337 1.00 0.00 C ATOM 77 O LEU A 6 -6.435 9.534 2.539 1.00 0.00 O ATOM 78 CB LEU A 6 -3.257 10.176 2.457 1.00 0.00 C ATOM 79 CG LEU A 6 -2.416 9.322 3.411 1.00 0.00 C ATOM 80 CD1 LEU A 6 -2.886 7.873 3.502 1.00 0.00 C ATOM 81 CD2 LEU A 6 -0.931 9.419 3.122 1.00 0.00 C ATOM 0 H LEU A 6 -4.022 11.083 5.065 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.987 11.461 2.336 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.544 9.561 1.604 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.632 10.982 2.073 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.577 9.752 4.400 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.246 7.326 4.194 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.915 7.846 3.860 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.833 7.411 2.516 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.382 8.795 3.827 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.735 9.077 2.106 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.607 10.455 3.226 1.00 0.00 H new ATOM 93 N ASN A 7 -5.540 9.026 4.425 1.00 0.00 N ATOM 94 CA ASN A 7 -6.523 7.954 4.526 1.00 0.00 C ATOM 95 C ASN A 7 -7.925 8.440 4.813 1.00 0.00 C ATOM 96 O ASN A 7 -8.775 8.358 4.007 1.00 0.00 O ATOM 97 CB ASN A 7 -6.076 6.911 5.494 1.00 0.00 C ATOM 98 CG ASN A 7 -6.511 5.519 5.013 1.00 0.00 C ATOM 99 OD1 ASN A 7 -7.565 5.009 5.363 1.00 0.00 O ATOM 100 ND2 ASN A 7 -5.707 4.897 4.173 1.00 0.00 N ATOM 0 H ASN A 7 -4.896 9.142 5.207 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.582 7.495 3.539 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.992 6.944 5.601 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.499 7.112 6.478 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -5.962 3.979 3.808 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -4.830 5.333 3.889 1.00 0.00 H new ATOM 107 N GLN A 8 -8.075 9.166 5.827 1.00 0.00 N ATOM 108 CA GLN A 8 -9.348 9.635 6.274 1.00 0.00 C ATOM 109 C GLN A 8 -9.632 10.890 5.483 1.00 0.00 C ATOM 110 O GLN A 8 -10.738 11.274 5.313 1.00 0.00 O ATOM 111 CB GLN A 8 -9.347 9.987 7.804 1.00 0.00 C ATOM 112 CG GLN A 8 -8.393 9.175 8.723 1.00 0.00 C ATOM 113 CD GLN A 8 -6.949 9.373 8.329 1.00 0.00 C ATOM 114 OE1 GLN A 8 -6.107 8.517 8.515 1.00 0.00 O ATOM 115 NE2 GLN A 8 -6.679 10.499 7.685 1.00 0.00 N ATOM 0 H GLN A 8 -7.297 9.477 6.410 1.00 0.00 H new ATOM 0 HA GLN A 8 -10.099 8.859 6.127 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -9.096 11.043 7.907 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -10.363 9.863 8.179 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -8.535 9.482 9.759 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -8.645 8.116 8.667 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -7.411 11.196 7.547 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.739 10.669 7.327 1.00 0.00 H new ATOM 124 N GLN A 9 -8.614 11.538 4.968 1.00 0.00 N ATOM 125 CA GLN A 9 -8.834 12.728 4.200 1.00 0.00 C ATOM 126 C GLN A 9 -9.082 12.316 2.754 1.00 0.00 C ATOM 127 O GLN A 9 -10.183 12.452 2.242 1.00 0.00 O ATOM 128 CB GLN A 9 -7.574 13.608 4.369 1.00 0.00 C ATOM 129 CG GLN A 9 -7.602 15.032 3.809 1.00 0.00 C ATOM 130 CD GLN A 9 -7.550 15.127 2.294 1.00 0.00 C ATOM 131 OE1 GLN A 9 -8.574 15.145 1.634 1.00 0.00 O ATOM 132 NE2 GLN A 9 -6.357 15.154 1.742 1.00 0.00 N ATOM 0 H GLN A 9 -7.637 11.261 5.068 1.00 0.00 H new ATOM 0 HA GLN A 9 -9.702 13.301 4.527 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -7.356 13.674 5.435 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -6.738 13.085 3.904 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.509 15.526 4.158 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -6.759 15.585 4.222 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -5.523 15.138 2.329 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -6.266 15.191 0.727 1.00 0.00 H new ATOM 141 N LYS A 10 -8.085 11.694 2.170 1.00 0.00 N ATOM 142 CA LYS A 10 -8.084 11.353 0.762 1.00 0.00 C ATOM 143 C LYS A 10 -8.916 10.110 0.446 1.00 0.00 C ATOM 144 O LYS A 10 -9.407 9.975 -0.662 1.00 0.00 O ATOM 145 CB LYS A 10 -6.637 11.185 0.271 1.00 0.00 C ATOM 146 CG LYS A 10 -6.441 10.989 -1.220 1.00 0.00 C ATOM 147 CD LYS A 10 -6.320 12.316 -1.978 1.00 0.00 C ATOM 148 CE LYS A 10 -7.379 13.305 -1.550 1.00 0.00 C ATOM 149 NZ LYS A 10 -7.345 14.576 -2.303 1.00 0.00 N ATOM 0 H LYS A 10 -7.240 11.406 2.663 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.559 12.176 0.228 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.070 12.065 0.576 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.200 10.330 0.787 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.543 10.395 -1.390 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.280 10.421 -1.621 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.332 12.744 -1.806 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.406 12.132 -3.049 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.361 12.847 -1.671 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.256 13.519 -0.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.225 15.104 -2.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.533 15.145 -1.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.253 14.375 -3.319 1.00 0.00 H new ATOM 163 N ILE A 11 -9.159 9.238 1.407 1.00 0.00 N ATOM 164 CA ILE A 11 -9.959 8.085 1.086 1.00 0.00 C ATOM 165 C ILE A 11 -11.352 8.332 1.478 1.00 0.00 C ATOM 166 O ILE A 11 -12.236 7.837 0.856 1.00 0.00 O ATOM 167 CB ILE A 11 -9.459 6.730 1.692 1.00 0.00 C ATOM 168 CG1 ILE A 11 -9.580 5.641 0.671 1.00 0.00 C ATOM 169 CG2 ILE A 11 -10.288 6.264 2.920 1.00 0.00 C ATOM 170 CD1 ILE A 11 -9.063 4.336 1.188 1.00 0.00 C ATOM 0 H ILE A 11 -8.830 9.303 2.370 1.00 0.00 H new ATOM 0 HA ILE A 11 -9.868 7.957 0.007 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.428 6.909 1.999 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.625 5.529 0.381 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -9.028 5.921 -0.226 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.889 5.320 3.291 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.229 7.017 3.706 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -11.329 6.128 2.626 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.168 3.572 0.418 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.011 4.441 1.453 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -9.632 4.043 2.070 1.00 0.00 H new ATOM 182 N GLU A 12 -11.575 9.128 2.485 1.00 0.00 N ATOM 183 CA GLU A 12 -12.927 9.330 2.882 1.00 0.00 C ATOM 184 C GLU A 12 -13.629 10.085 1.737 1.00 0.00 C ATOM 185 O GLU A 12 -14.756 9.734 1.338 1.00 0.00 O ATOM 186 CB GLU A 12 -12.851 10.056 4.196 1.00 0.00 C ATOM 187 CG GLU A 12 -14.031 10.015 5.133 1.00 0.00 C ATOM 188 CD GLU A 12 -15.148 10.976 4.784 1.00 0.00 C ATOM 189 OE1 GLU A 12 -15.033 12.168 5.134 1.00 0.00 O ATOM 190 OE2 GLU A 12 -16.180 10.565 4.215 1.00 0.00 O ATOM 0 H GLU A 12 -10.867 9.627 3.023 1.00 0.00 H new ATOM 0 HA GLU A 12 -13.518 8.428 3.042 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.990 9.664 4.737 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -12.641 11.104 3.979 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -14.432 9.002 5.146 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -13.684 10.234 6.143 1.00 0.00 H new ATOM 197 N GLU A 13 -12.855 10.972 1.089 1.00 0.00 N ATOM 198 CA GLU A 13 -13.370 11.779 -0.004 1.00 0.00 C ATOM 199 C GLU A 13 -13.337 11.015 -1.345 1.00 0.00 C ATOM 200 O GLU A 13 -14.224 11.190 -2.180 1.00 0.00 O ATOM 201 CB GLU A 13 -12.605 13.095 -0.177 1.00 0.00 C ATOM 202 CG GLU A 13 -11.199 12.941 -0.734 1.00 0.00 C ATOM 203 CD GLU A 13 -10.799 14.124 -1.576 1.00 0.00 C ATOM 204 OE1 GLU A 13 -11.249 14.214 -2.734 1.00 0.00 O ATOM 205 OE2 GLU A 13 -10.023 14.978 -1.119 1.00 0.00 O ATOM 0 H GLU A 13 -11.874 11.140 1.311 1.00 0.00 H new ATOM 0 HA GLU A 13 -14.402 12.005 0.266 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.175 13.747 -0.839 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.546 13.596 0.789 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.493 12.825 0.088 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.143 12.032 -1.333 1.00 0.00 H new ATOM 212 N LEU A 14 -12.299 10.202 -1.572 1.00 0.00 N ATOM 213 CA LEU A 14 -12.153 9.510 -2.853 1.00 0.00 C ATOM 214 C LEU A 14 -12.718 8.122 -2.859 1.00 0.00 C ATOM 215 O LEU A 14 -12.975 7.576 -3.930 1.00 0.00 O ATOM 216 CB LEU A 14 -10.723 9.519 -3.384 1.00 0.00 C ATOM 217 CG LEU A 14 -10.221 10.850 -3.935 1.00 0.00 C ATOM 218 CD1 LEU A 14 -8.770 10.734 -4.330 1.00 0.00 C ATOM 219 CD2 LEU A 14 -11.041 11.251 -5.145 1.00 0.00 C ATOM 0 H LEU A 14 -11.560 10.010 -0.896 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.759 10.099 -3.542 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.056 9.207 -2.580 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.645 8.770 -4.172 1.00 0.00 H new ATOM 0 HG LEU A 14 -10.323 11.609 -3.160 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.422 11.690 -4.722 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.176 10.462 -3.458 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.662 9.967 -5.096 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -10.676 12.202 -5.533 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -10.950 10.486 -5.916 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.087 11.353 -4.858 1.00 0.00 H new ATOM 231 N SER A 15 -12.739 7.468 -1.715 1.00 0.00 N ATOM 232 CA SER A 15 -13.526 6.270 -1.614 1.00 0.00 C ATOM 233 C SER A 15 -14.947 6.750 -1.854 1.00 0.00 C ATOM 234 O SER A 15 -15.383 6.726 -2.985 1.00 0.00 O ATOM 235 CB SER A 15 -13.411 5.563 -0.246 1.00 0.00 C ATOM 236 OG SER A 15 -13.967 4.260 -0.258 1.00 0.00 O ATOM 0 H SER A 15 -12.235 7.739 -0.871 1.00 0.00 H new ATOM 0 HA SER A 15 -13.186 5.519 -2.327 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.361 5.503 0.041 1.00 0.00 H new ATOM 0 HB3 SER A 15 -13.915 6.162 0.512 1.00 0.00 H new ATOM 0 HG SER A 15 -13.868 3.854 0.629 1.00 0.00 H new ATOM 242 N ALA A 16 -15.650 7.204 -0.798 1.00 0.00 N ATOM 243 CA ALA A 16 -16.975 7.812 -0.990 1.00 0.00 C ATOM 244 C ALA A 16 -17.883 6.978 -1.921 1.00 0.00 C ATOM 245 O ALA A 16 -17.944 5.774 -1.816 1.00 0.00 O ATOM 246 CB ALA A 16 -16.759 9.217 -1.554 1.00 0.00 C ATOM 0 H ALA A 16 -15.331 7.162 0.170 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.493 7.851 -0.032 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -17.724 9.699 -1.709 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.169 9.805 -0.851 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -16.230 9.150 -2.504 1.00 0.00 H new ATOM 252 N GLU A 17 -18.520 7.637 -2.868 1.00 0.00 N ATOM 253 CA GLU A 17 -19.360 6.992 -3.864 1.00 0.00 C ATOM 254 C GLU A 17 -18.541 6.465 -5.023 1.00 0.00 C ATOM 255 O GLU A 17 -19.080 6.116 -6.082 1.00 0.00 O ATOM 256 CB GLU A 17 -20.333 7.979 -4.415 1.00 0.00 C ATOM 257 CG GLU A 17 -21.437 8.348 -3.457 1.00 0.00 C ATOM 258 CD GLU A 17 -22.371 9.375 -4.027 1.00 0.00 C ATOM 259 OE1 GLU A 17 -22.910 9.161 -5.134 1.00 0.00 O ATOM 260 OE2 GLU A 17 -22.629 10.397 -3.346 1.00 0.00 O ATOM 0 H GLU A 17 -18.470 8.651 -2.971 1.00 0.00 H new ATOM 0 HA GLU A 17 -19.870 6.164 -3.372 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -19.796 8.883 -4.701 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -20.775 7.570 -5.324 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -22.002 7.453 -3.196 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -21.001 8.730 -2.534 1.00 0.00 H new ATOM 267 N ILE A 18 -17.260 6.411 -4.841 1.00 0.00 N ATOM 268 CA ILE A 18 -16.379 5.917 -5.837 1.00 0.00 C ATOM 269 C ILE A 18 -15.655 4.703 -5.334 1.00 0.00 C ATOM 270 O ILE A 18 -16.162 3.595 -5.575 1.00 0.00 O ATOM 271 CB ILE A 18 -15.564 7.004 -6.617 1.00 0.00 C ATOM 272 CG1 ILE A 18 -14.269 6.450 -7.202 1.00 0.00 C ATOM 273 CG2 ILE A 18 -15.331 8.264 -5.791 1.00 0.00 C ATOM 274 CD1 ILE A 18 -13.498 7.426 -8.071 1.00 0.00 C ATOM 0 H ILE A 18 -16.796 6.714 -3.985 1.00 0.00 H new ATOM 0 HA ILE A 18 -16.973 5.555 -6.676 1.00 0.00 H new ATOM 0 HB ILE A 18 -16.185 7.301 -7.462 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -13.626 6.126 -6.384 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -14.503 5.564 -7.793 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -14.762 8.984 -6.379 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -16.291 8.700 -5.513 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -14.774 8.010 -4.889 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -12.593 6.946 -8.443 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -14.119 7.732 -8.913 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -13.228 8.303 -7.482 1.00 0.00 H new ATOM 286 N GLY A 19 -14.514 4.734 -4.668 1.00 0.00 N ATOM 287 CA GLY A 19 -13.900 3.597 -4.089 1.00 0.00 C ATOM 288 C GLY A 19 -14.645 2.855 -3.018 1.00 0.00 C ATOM 289 O GLY A 19 -14.081 1.932 -2.503 1.00 0.00 O ATOM 0 H GLY A 19 -13.986 5.594 -4.521 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -13.681 2.892 -4.891 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -12.943 3.912 -3.672 1.00 0.00 H new ATOM 293 N SER A 20 -15.870 3.204 -2.655 1.00 0.00 N ATOM 294 CA SER A 20 -16.575 2.336 -1.724 1.00 0.00 C ATOM 295 C SER A 20 -16.981 1.065 -2.464 1.00 0.00 C ATOM 296 O SER A 20 -17.197 0.018 -1.866 1.00 0.00 O ATOM 297 CB SER A 20 -17.773 3.026 -1.079 1.00 0.00 C ATOM 298 OG SER A 20 -18.419 2.188 -0.124 1.00 0.00 O ATOM 0 H SER A 20 -16.374 4.033 -2.969 1.00 0.00 H new ATOM 0 HA SER A 20 -15.909 2.082 -0.899 1.00 0.00 H new ATOM 0 HB2 SER A 20 -17.444 3.944 -0.592 1.00 0.00 H new ATOM 0 HB3 SER A 20 -18.486 3.312 -1.852 1.00 0.00 H new ATOM 0 HG SER A 20 -19.180 2.665 0.268 1.00 0.00 H new ATOM 304 N ASP A 21 -17.049 1.167 -3.781 1.00 0.00 N ATOM 305 CA ASP A 21 -17.280 -0.004 -4.603 1.00 0.00 C ATOM 306 C ASP A 21 -16.101 -0.365 -5.447 1.00 0.00 C ATOM 307 O ASP A 21 -16.116 -1.405 -6.097 1.00 0.00 O ATOM 308 CB ASP A 21 -18.495 0.136 -5.506 1.00 0.00 C ATOM 309 CG ASP A 21 -19.804 0.032 -4.772 1.00 0.00 C ATOM 310 OD1 ASP A 21 -20.273 -1.099 -4.541 1.00 0.00 O ATOM 311 OD2 ASP A 21 -20.410 1.074 -4.450 1.00 0.00 O ATOM 0 H ASP A 21 -16.948 2.041 -4.298 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.461 -0.804 -3.885 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -18.449 1.098 -6.016 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -18.457 -0.635 -6.275 1.00 0.00 H new ATOM 316 N ASN A 22 -15.076 0.457 -5.482 1.00 0.00 N ATOM 317 CA ASN A 22 -13.935 0.096 -6.315 1.00 0.00 C ATOM 318 C ASN A 22 -12.726 -0.284 -5.461 1.00 0.00 C ATOM 319 O ASN A 22 -12.056 -1.277 -5.714 1.00 0.00 O ATOM 320 CB ASN A 22 -13.599 1.238 -7.291 1.00 0.00 C ATOM 321 CG ASN A 22 -12.530 0.866 -8.312 1.00 0.00 C ATOM 322 OD1 ASN A 22 -12.399 -0.293 -8.706 1.00 0.00 O ATOM 323 ND2 ASN A 22 -11.794 1.847 -8.787 1.00 0.00 N ATOM 0 H ASN A 22 -15.000 1.338 -4.974 1.00 0.00 H new ATOM 0 HA ASN A 22 -14.204 -0.782 -6.903 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -14.506 1.535 -7.817 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -13.262 2.105 -6.722 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -11.091 1.658 -9.502 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -11.926 2.797 -8.441 1.00 0.00 H new ATOM 330 N VAL A 23 -12.486 0.464 -4.414 1.00 0.00 N ATOM 331 CA VAL A 23 -11.289 0.275 -3.623 1.00 0.00 C ATOM 332 C VAL A 23 -11.229 -0.947 -2.669 1.00 0.00 C ATOM 333 O VAL A 23 -10.158 -1.536 -2.572 1.00 0.00 O ATOM 334 CB VAL A 23 -10.746 1.596 -3.040 1.00 0.00 C ATOM 335 CG1 VAL A 23 -10.773 1.655 -1.518 1.00 0.00 C ATOM 336 CG2 VAL A 23 -9.362 1.874 -3.597 1.00 0.00 C ATOM 0 H VAL A 23 -13.101 1.210 -4.087 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.563 -0.056 -4.365 1.00 0.00 H new ATOM 0 HB VAL A 23 -11.424 2.389 -3.358 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.376 2.614 -1.184 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -11.799 1.545 -1.168 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -10.163 0.848 -1.112 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.984 2.808 -3.182 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.691 1.059 -3.327 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.416 1.955 -4.683 1.00 0.00 H new ATOM 346 N PRO A 24 -12.324 -1.396 -1.958 1.00 0.00 N ATOM 347 CA PRO A 24 -12.236 -2.623 -1.155 1.00 0.00 C ATOM 348 C PRO A 24 -12.033 -3.797 -2.094 1.00 0.00 C ATOM 349 O PRO A 24 -11.353 -4.764 -1.778 1.00 0.00 O ATOM 350 CB PRO A 24 -13.597 -2.721 -0.452 1.00 0.00 C ATOM 351 CG PRO A 24 -14.510 -1.883 -1.266 1.00 0.00 C ATOM 352 CD PRO A 24 -13.660 -0.789 -1.846 1.00 0.00 C ATOM 0 HA PRO A 24 -11.414 -2.620 -0.439 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -13.944 -3.753 -0.406 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -13.538 -2.359 0.574 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -14.981 -2.471 -2.054 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -15.312 -1.471 -0.653 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -14.034 -0.466 -2.817 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -13.646 0.090 -1.201 1.00 0.00 H new ATOM 360 N VAL A 25 -12.634 -3.639 -3.268 1.00 0.00 N ATOM 361 CA VAL A 25 -12.473 -4.605 -4.327 1.00 0.00 C ATOM 362 C VAL A 25 -10.985 -4.784 -4.652 1.00 0.00 C ATOM 363 O VAL A 25 -10.479 -5.897 -4.652 1.00 0.00 O ATOM 364 CB VAL A 25 -13.261 -4.207 -5.600 1.00 0.00 C ATOM 365 CG1 VAL A 25 -13.024 -5.206 -6.731 1.00 0.00 C ATOM 366 CG2 VAL A 25 -14.745 -4.122 -5.283 1.00 0.00 C ATOM 0 H VAL A 25 -13.235 -2.849 -3.502 1.00 0.00 H new ATOM 0 HA VAL A 25 -12.882 -5.552 -3.977 1.00 0.00 H new ATOM 0 HB VAL A 25 -12.904 -3.232 -5.931 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -13.590 -4.900 -7.611 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.962 -5.235 -6.975 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -13.351 -6.197 -6.416 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.294 -3.842 -6.182 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -15.098 -5.091 -4.930 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -14.909 -3.372 -4.509 1.00 0.00 H new ATOM 376 N LEU A 26 -10.275 -3.675 -4.828 1.00 0.00 N ATOM 377 CA LEU A 26 -8.886 -3.649 -5.236 1.00 0.00 C ATOM 378 C LEU A 26 -7.989 -4.097 -4.047 1.00 0.00 C ATOM 379 O LEU A 26 -7.185 -5.008 -4.156 1.00 0.00 O ATOM 380 CB LEU A 26 -8.568 -2.169 -5.634 1.00 0.00 C ATOM 381 CG LEU A 26 -7.547 -1.895 -6.778 1.00 0.00 C ATOM 382 CD1 LEU A 26 -6.266 -2.702 -6.620 1.00 0.00 C ATOM 383 CD2 LEU A 26 -8.184 -2.157 -8.131 1.00 0.00 C ATOM 0 H LEU A 26 -10.667 -2.744 -4.685 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.697 -4.323 -6.071 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.509 -1.694 -5.913 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.206 -1.659 -4.741 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.267 -0.843 -6.715 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.589 -2.474 -7.443 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.788 -2.445 -5.675 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.503 -3.766 -6.629 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.457 -1.961 -8.919 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.507 -3.197 -8.186 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.046 -1.502 -8.261 1.00 0.00 H new ATOM 395 N LEU A 27 -8.110 -3.339 -2.981 1.00 0.00 N ATOM 396 CA LEU A 27 -7.296 -3.571 -1.796 1.00 0.00 C ATOM 397 C LEU A 27 -7.359 -5.049 -1.379 1.00 0.00 C ATOM 398 O LEU A 27 -6.347 -5.708 -1.280 1.00 0.00 O ATOM 399 CB LEU A 27 -7.686 -2.595 -0.647 1.00 0.00 C ATOM 400 CG LEU A 27 -8.854 -2.941 0.310 1.00 0.00 C ATOM 401 CD1 LEU A 27 -8.441 -3.899 1.432 1.00 0.00 C ATOM 402 CD2 LEU A 27 -9.480 -1.680 0.885 1.00 0.00 C ATOM 0 H LEU A 27 -8.761 -2.557 -2.904 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.255 -3.356 -2.035 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.798 -2.449 -0.032 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.918 -1.634 -1.105 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.600 -3.462 -0.291 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.301 -4.104 2.070 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.079 -4.832 0.999 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.649 -3.443 2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -10.297 -1.952 1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.727 -1.121 1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.865 -1.062 0.074 1.00 0.00 H new ATOM 414 N ASP A 28 -8.548 -5.599 -1.281 1.00 0.00 N ATOM 415 CA ASP A 28 -8.706 -6.964 -0.804 1.00 0.00 C ATOM 416 C ASP A 28 -8.116 -7.986 -1.773 1.00 0.00 C ATOM 417 O ASP A 28 -7.607 -9.028 -1.348 1.00 0.00 O ATOM 418 CB ASP A 28 -10.172 -7.236 -0.505 1.00 0.00 C ATOM 419 CG ASP A 28 -10.460 -8.610 0.046 1.00 0.00 C ATOM 420 OD1 ASP A 28 -10.218 -8.839 1.251 1.00 0.00 O ATOM 421 OD2 ASP A 28 -11.021 -9.456 -0.685 1.00 0.00 O ATOM 0 H ASP A 28 -9.420 -5.128 -1.523 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.140 -7.073 0.121 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.527 -6.492 0.208 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.747 -7.099 -1.421 1.00 0.00 H new ATOM 426 N ILE A 29 -8.137 -7.678 -3.064 1.00 0.00 N ATOM 427 CA ILE A 29 -7.562 -8.602 -4.020 1.00 0.00 C ATOM 428 C ILE A 29 -6.052 -8.473 -4.021 1.00 0.00 C ATOM 429 O ILE A 29 -5.355 -9.468 -4.002 1.00 0.00 O ATOM 430 CB ILE A 29 -8.107 -8.467 -5.483 1.00 0.00 C ATOM 431 CG1 ILE A 29 -7.801 -7.077 -6.065 1.00 0.00 C ATOM 432 CG2 ILE A 29 -9.592 -8.777 -5.525 1.00 0.00 C ATOM 433 CD1 ILE A 29 -8.224 -6.820 -7.491 1.00 0.00 C ATOM 0 H ILE A 29 -8.532 -6.825 -3.459 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.870 -9.592 -3.684 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.594 -9.196 -6.110 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.280 -6.332 -5.430 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.726 -6.911 -5.996 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -9.955 -8.679 -6.548 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.761 -9.796 -5.176 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -10.128 -8.079 -4.881 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -7.949 -5.804 -7.775 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.725 -7.529 -8.152 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.304 -6.941 -7.578 1.00 0.00 H new ATOM 445 N PHE A 30 -5.546 -7.243 -3.970 1.00 0.00 N ATOM 446 CA PHE A 30 -4.134 -7.015 -4.138 1.00 0.00 C ATOM 447 C PHE A 30 -3.350 -7.417 -2.913 1.00 0.00 C ATOM 448 O PHE A 30 -2.237 -7.861 -3.007 1.00 0.00 O ATOM 449 CB PHE A 30 -3.876 -5.600 -4.664 1.00 0.00 C ATOM 450 CG PHE A 30 -3.535 -4.484 -3.698 1.00 0.00 C ATOM 451 CD1 PHE A 30 -2.281 -4.402 -3.107 1.00 0.00 C ATOM 452 CD2 PHE A 30 -4.447 -3.485 -3.446 1.00 0.00 C ATOM 453 CE1 PHE A 30 -1.962 -3.355 -2.276 1.00 0.00 C ATOM 454 CE2 PHE A 30 -4.133 -2.427 -2.622 1.00 0.00 C ATOM 455 CZ PHE A 30 -2.892 -2.363 -2.034 1.00 0.00 C ATOM 0 H PHE A 30 -6.099 -6.400 -3.814 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.747 -7.676 -4.913 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.061 -5.666 -5.385 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.765 -5.292 -5.215 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.548 -5.170 -3.303 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.425 -3.531 -3.902 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.987 -3.308 -1.814 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.860 -1.650 -2.438 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.644 -1.537 -1.383 1.00 0.00 H new ATOM 465 N LEU A 31 -4.010 -7.411 -1.797 1.00 0.00 N ATOM 466 CA LEU A 31 -3.490 -7.902 -0.593 1.00 0.00 C ATOM 467 C LEU A 31 -3.608 -9.418 -0.630 1.00 0.00 C ATOM 468 O LEU A 31 -2.612 -10.114 -0.565 1.00 0.00 O ATOM 469 CB LEU A 31 -4.284 -7.291 0.581 1.00 0.00 C ATOM 470 CG LEU A 31 -3.960 -5.877 1.091 1.00 0.00 C ATOM 471 CD1 LEU A 31 -3.975 -4.807 0.040 1.00 0.00 C ATOM 472 CD2 LEU A 31 -4.908 -5.510 2.223 1.00 0.00 C ATOM 0 H LEU A 31 -4.959 -7.047 -1.714 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.443 -7.630 -0.459 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.336 -7.297 0.295 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.180 -7.970 1.427 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.929 -5.920 1.443 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.735 -3.846 0.495 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.236 -5.040 -0.727 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.965 -4.756 -0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.675 -4.507 2.582 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.935 -5.536 1.860 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.793 -6.223 3.039 1.00 0.00 H new ATOM 484 N GLY A 32 -4.831 -9.918 -0.801 1.00 0.00 N ATOM 485 CA GLY A 32 -5.128 -11.338 -0.804 1.00 0.00 C ATOM 486 C GLY A 32 -4.337 -12.182 -1.801 1.00 0.00 C ATOM 487 O GLY A 32 -3.730 -13.159 -1.396 1.00 0.00 O ATOM 0 H GLY A 32 -5.654 -9.332 -0.943 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.948 -11.729 0.197 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.190 -11.467 -1.011 1.00 0.00 H new ATOM 491 N GLU A 33 -4.323 -11.828 -3.090 1.00 0.00 N ATOM 492 CA GLU A 33 -3.626 -12.655 -4.094 1.00 0.00 C ATOM 493 C GLU A 33 -2.111 -12.567 -3.916 1.00 0.00 C ATOM 494 O GLU A 33 -1.386 -13.531 -4.152 1.00 0.00 O ATOM 495 CB GLU A 33 -4.021 -12.309 -5.539 1.00 0.00 C ATOM 496 CG GLU A 33 -3.582 -10.935 -6.019 1.00 0.00 C ATOM 497 CD GLU A 33 -3.872 -10.721 -7.476 1.00 0.00 C ATOM 498 OE1 GLU A 33 -3.066 -11.165 -8.325 1.00 0.00 O ATOM 499 OE2 GLU A 33 -4.917 -10.134 -7.810 1.00 0.00 O ATOM 0 H GLU A 33 -4.775 -10.993 -3.463 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.946 -13.682 -3.920 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.597 -13.061 -6.204 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.105 -12.378 -5.629 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.090 -10.169 -5.433 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.513 -10.815 -5.842 1.00 0.00 H new ATOM 506 N MET A 34 -1.667 -11.402 -3.489 1.00 0.00 N ATOM 507 CA MET A 34 -0.254 -11.238 -3.184 1.00 0.00 C ATOM 508 C MET A 34 0.144 -12.152 -2.070 1.00 0.00 C ATOM 509 O MET A 34 1.093 -12.935 -2.174 1.00 0.00 O ATOM 510 CB MET A 34 -0.021 -9.854 -2.726 1.00 0.00 C ATOM 511 CG MET A 34 0.446 -8.914 -3.826 1.00 0.00 C ATOM 512 SD MET A 34 -0.536 -9.060 -5.334 1.00 0.00 S ATOM 513 CE MET A 34 0.275 -7.846 -6.349 1.00 0.00 C ATOM 0 H MET A 34 -2.244 -10.573 -3.347 1.00 0.00 H new ATOM 0 HA MET A 34 0.325 -11.464 -4.079 1.00 0.00 H new ATOM 0 HB2 MET A 34 -0.943 -9.464 -2.295 1.00 0.00 H new ATOM 0 HB3 MET A 34 0.724 -9.865 -1.930 1.00 0.00 H new ATOM 0 HG2 MET A 34 0.398 -7.887 -3.465 1.00 0.00 H new ATOM 0 HG3 MET A 34 1.491 -9.122 -4.057 1.00 0.00 H new ATOM 0 HE1 MET A 34 -0.432 -7.058 -6.609 1.00 0.00 H new ATOM 0 HE2 MET A 34 1.113 -7.415 -5.801 1.00 0.00 H new ATOM 0 HE3 MET A 34 0.642 -8.320 -7.260 1.00 0.00 H new ATOM 523 N ASP A 35 -0.664 -12.126 -1.048 1.00 0.00 N ATOM 524 CA ASP A 35 -0.504 -12.860 0.173 1.00 0.00 C ATOM 525 C ASP A 35 -0.647 -14.333 -0.108 1.00 0.00 C ATOM 526 O ASP A 35 -0.030 -15.180 0.540 1.00 0.00 O ATOM 527 CB ASP A 35 -1.620 -12.394 1.084 1.00 0.00 C ATOM 528 CG ASP A 35 -1.554 -12.978 2.483 1.00 0.00 C ATOM 529 OD1 ASP A 35 -0.439 -13.161 3.019 1.00 0.00 O ATOM 530 OD2 ASP A 35 -2.619 -13.225 3.091 1.00 0.00 O ATOM 0 H ASP A 35 -1.508 -11.553 -1.047 1.00 0.00 H new ATOM 0 HA ASP A 35 0.474 -12.696 0.625 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.590 -11.307 1.153 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.577 -12.659 0.635 1.00 0.00 H new ATOM 535 N SER A 36 -1.433 -14.608 -1.122 1.00 0.00 N ATOM 536 CA SER A 36 -1.687 -15.963 -1.529 1.00 0.00 C ATOM 537 C SER A 36 -0.432 -16.533 -2.030 1.00 0.00 C ATOM 538 O SER A 36 0.077 -17.568 -1.583 1.00 0.00 O ATOM 539 CB SER A 36 -2.584 -16.053 -2.737 1.00 0.00 C ATOM 540 OG SER A 36 -3.891 -15.541 -2.533 1.00 0.00 O ATOM 0 H SER A 36 -1.910 -13.902 -1.683 1.00 0.00 H new ATOM 0 HA SER A 36 -2.127 -16.460 -0.664 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.119 -15.512 -3.561 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.659 -17.097 -3.042 1.00 0.00 H new ATOM 0 HG SER A 36 -3.844 -14.740 -1.971 1.00 0.00 H new ATOM 546 N TYR A 37 0.074 -15.785 -2.966 1.00 0.00 N ATOM 547 CA TYR A 37 1.153 -16.187 -3.726 1.00 0.00 C ATOM 548 C TYR A 37 2.351 -16.347 -2.965 1.00 0.00 C ATOM 549 O TYR A 37 3.035 -17.269 -3.162 1.00 0.00 O ATOM 550 CB TYR A 37 1.304 -15.389 -4.978 1.00 0.00 C ATOM 551 CG TYR A 37 0.604 -16.163 -5.989 1.00 0.00 C ATOM 552 CD1 TYR A 37 -0.771 -16.139 -6.066 1.00 0.00 C ATOM 553 CD2 TYR A 37 1.313 -17.025 -6.762 1.00 0.00 C ATOM 554 CE1 TYR A 37 -1.431 -16.969 -6.937 1.00 0.00 C ATOM 555 CE2 TYR A 37 0.688 -17.877 -7.622 1.00 0.00 C ATOM 556 CZ TYR A 37 -0.693 -17.850 -7.719 1.00 0.00 C ATOM 557 OH TYR A 37 -1.337 -18.723 -8.566 1.00 0.00 O ATOM 0 H TYR A 37 -0.283 -14.860 -3.205 1.00 0.00 H new ATOM 0 HA TYR A 37 0.930 -17.196 -4.072 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.871 -14.394 -4.869 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.354 -15.253 -5.238 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.333 -15.464 -5.438 1.00 0.00 H new ATOM 0 HD2 TYR A 37 2.391 -17.035 -6.694 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -2.508 -16.938 -7.014 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.264 -18.566 -8.222 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.674 -19.268 -9.040 1.00 0.00 H new ATOM 567 N ILE A 38 2.523 -15.544 -2.008 1.00 0.00 N ATOM 568 CA ILE A 38 3.688 -15.596 -1.201 1.00 0.00 C ATOM 569 C ILE A 38 3.695 -16.767 -0.289 1.00 0.00 C ATOM 570 O ILE A 38 4.747 -17.308 -0.009 1.00 0.00 O ATOM 571 CB ILE A 38 3.965 -14.236 -0.589 1.00 0.00 C ATOM 572 CG1 ILE A 38 4.839 -13.480 -1.573 1.00 0.00 C ATOM 573 CG2 ILE A 38 4.625 -14.312 0.791 1.00 0.00 C ATOM 574 CD1 ILE A 38 4.493 -13.621 -3.069 1.00 0.00 C ATOM 0 H ILE A 38 1.859 -14.816 -1.746 1.00 0.00 H new ATOM 0 HA ILE A 38 4.563 -15.795 -1.820 1.00 0.00 H new ATOM 0 HB ILE A 38 3.020 -13.722 -0.416 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.802 -12.422 -1.315 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.869 -13.807 -1.431 1.00 0.00 H new ATOM 0 HG21 ILE A 38 4.794 -13.304 1.169 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.973 -14.852 1.477 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.578 -14.834 0.710 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.193 -13.032 -3.661 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.562 -14.669 -3.361 1.00 0.00 H new ATOM 0 HD13 ILE A 38 3.479 -13.262 -3.243 1.00 0.00 H new ATOM 586 N GLY A 39 2.519 -17.218 0.066 1.00 0.00 N ATOM 587 CA GLY A 39 2.405 -18.442 0.796 1.00 0.00 C ATOM 588 C GLY A 39 2.994 -19.594 -0.022 1.00 0.00 C ATOM 589 O GLY A 39 3.839 -20.344 0.459 1.00 0.00 O ATOM 0 H GLY A 39 1.634 -16.754 -0.140 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.927 -18.357 1.749 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.358 -18.644 1.023 1.00 0.00 H new ATOM 593 N THR A 40 2.656 -19.617 -1.304 1.00 0.00 N ATOM 594 CA THR A 40 3.046 -20.669 -2.187 1.00 0.00 C ATOM 595 C THR A 40 4.461 -20.405 -2.705 1.00 0.00 C ATOM 596 O THR A 40 5.340 -21.228 -2.563 1.00 0.00 O ATOM 597 CB THR A 40 2.055 -20.749 -3.354 1.00 0.00 C ATOM 598 OG1 THR A 40 0.713 -20.745 -2.826 1.00 0.00 O ATOM 599 CG2 THR A 40 2.281 -22.024 -4.138 1.00 0.00 C ATOM 0 H THR A 40 2.097 -18.890 -1.750 1.00 0.00 H new ATOM 0 HA THR A 40 3.040 -21.619 -1.653 1.00 0.00 H new ATOM 0 HB THR A 40 2.201 -19.895 -4.015 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.071 -20.794 -3.565 1.00 0.00 H new ATOM 0 HG21 THR A 40 1.573 -22.073 -4.965 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.298 -22.035 -4.530 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.135 -22.884 -3.484 1.00 0.00 H new ATOM 607 N LEU A 41 4.679 -19.252 -3.312 1.00 0.00 N ATOM 608 CA LEU A 41 5.926 -18.739 -3.826 1.00 0.00 C ATOM 609 C LEU A 41 7.081 -18.820 -2.839 1.00 0.00 C ATOM 610 O LEU A 41 8.141 -19.144 -3.236 1.00 0.00 O ATOM 611 CB LEU A 41 5.690 -17.287 -4.287 1.00 0.00 C ATOM 612 CG LEU A 41 4.983 -17.109 -5.616 1.00 0.00 C ATOM 613 CD1 LEU A 41 4.862 -15.652 -6.042 1.00 0.00 C ATOM 614 CD2 LEU A 41 5.491 -18.031 -6.723 1.00 0.00 C ATOM 0 H LEU A 41 3.915 -18.595 -3.469 1.00 0.00 H new ATOM 0 HA LEU A 41 6.231 -19.370 -4.661 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.109 -16.775 -3.520 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.656 -16.785 -4.344 1.00 0.00 H new ATOM 0 HG LEU A 41 3.962 -17.444 -5.435 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.347 -15.595 -7.001 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.296 -15.099 -5.292 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.857 -15.217 -6.138 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.933 -17.840 -7.640 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.550 -17.842 -6.896 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.352 -19.070 -6.424 1.00 0.00 H new ATOM 626 N THR A 42 6.849 -18.562 -1.568 1.00 0.00 N ATOM 627 CA THR A 42 7.923 -18.667 -0.560 1.00 0.00 C ATOM 628 C THR A 42 8.256 -20.125 -0.299 1.00 0.00 C ATOM 629 O THR A 42 9.417 -20.501 -0.147 1.00 0.00 O ATOM 630 CB THR A 42 7.624 -17.918 0.786 1.00 0.00 C ATOM 631 OG1 THR A 42 8.853 -17.659 1.469 1.00 0.00 O ATOM 632 CG2 THR A 42 6.730 -18.720 1.742 1.00 0.00 C ATOM 0 H THR A 42 5.942 -18.280 -1.196 1.00 0.00 H new ATOM 0 HA THR A 42 8.786 -18.158 -0.989 1.00 0.00 H new ATOM 0 HB THR A 42 7.100 -17.001 0.514 1.00 0.00 H new ATOM 0 HG1 THR A 42 9.437 -17.118 0.897 1.00 0.00 H new ATOM 0 HG21 THR A 42 6.563 -18.145 2.653 1.00 0.00 H new ATOM 0 HG22 THR A 42 5.773 -18.924 1.261 1.00 0.00 H new ATOM 0 HG23 THR A 42 7.218 -19.662 1.992 1.00 0.00 H new ATOM 640 N GLU A 43 7.233 -20.951 -0.321 1.00 0.00 N ATOM 641 CA GLU A 43 7.459 -22.377 -0.144 1.00 0.00 C ATOM 642 C GLU A 43 7.913 -23.018 -1.451 1.00 0.00 C ATOM 643 O GLU A 43 8.104 -24.236 -1.531 1.00 0.00 O ATOM 644 CB GLU A 43 6.285 -23.127 0.503 1.00 0.00 C ATOM 645 CG GLU A 43 4.986 -23.145 -0.264 1.00 0.00 C ATOM 646 CD GLU A 43 3.920 -23.895 0.484 1.00 0.00 C ATOM 647 OE1 GLU A 43 3.620 -23.536 1.632 1.00 0.00 O ATOM 648 OE2 GLU A 43 3.360 -24.868 -0.055 1.00 0.00 O ATOM 0 H GLU A 43 6.260 -20.675 -0.455 1.00 0.00 H new ATOM 0 HA GLU A 43 8.268 -22.470 0.581 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.593 -24.158 0.674 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.096 -22.684 1.481 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.655 -22.123 -0.446 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.143 -23.607 -1.238 1.00 0.00 H new ATOM 655 N LEU A 44 8.103 -22.198 -2.476 1.00 0.00 N ATOM 656 CA LEU A 44 8.616 -22.634 -3.721 1.00 0.00 C ATOM 657 C LEU A 44 9.980 -22.005 -3.979 1.00 0.00 C ATOM 658 O LEU A 44 10.904 -22.678 -4.455 1.00 0.00 O ATOM 659 CB LEU A 44 7.610 -22.236 -4.817 1.00 0.00 C ATOM 660 CG LEU A 44 6.365 -23.108 -4.968 1.00 0.00 C ATOM 661 CD1 LEU A 44 5.465 -22.539 -6.052 1.00 0.00 C ATOM 662 CD2 LEU A 44 6.749 -24.542 -5.297 1.00 0.00 C ATOM 0 H LEU A 44 7.895 -21.200 -2.442 1.00 0.00 H new ATOM 0 HA LEU A 44 8.749 -23.716 -3.720 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.286 -21.214 -4.623 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.135 -22.228 -5.772 1.00 0.00 H new ATOM 0 HG LEU A 44 5.824 -23.111 -4.022 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.579 -23.165 -6.155 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.165 -21.527 -5.781 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.005 -22.516 -6.998 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.847 -25.146 -5.400 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.309 -24.563 -6.232 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.367 -24.946 -4.495 1.00 0.00 H new ATOM 674 N GLN A 45 10.129 -20.740 -3.573 1.00 0.00 N ATOM 675 CA GLN A 45 11.249 -19.905 -3.963 1.00 0.00 C ATOM 676 C GLN A 45 11.195 -18.515 -3.349 1.00 0.00 C ATOM 677 O GLN A 45 10.506 -18.274 -2.367 1.00 0.00 O ATOM 678 CB GLN A 45 11.264 -19.867 -5.478 1.00 0.00 C ATOM 679 CG GLN A 45 10.004 -19.368 -6.145 1.00 0.00 C ATOM 680 CD GLN A 45 9.925 -19.829 -7.588 1.00 0.00 C ATOM 681 OE1 GLN A 45 9.379 -20.892 -7.871 1.00 0.00 O ATOM 682 NE2 GLN A 45 10.454 -19.051 -8.505 1.00 0.00 N ATOM 0 H GLN A 45 9.464 -20.271 -2.958 1.00 0.00 H new ATOM 0 HA GLN A 45 12.178 -20.328 -3.582 1.00 0.00 H new ATOM 0 HB2 GLN A 45 12.093 -19.236 -5.797 1.00 0.00 H new ATOM 0 HB3 GLN A 45 11.470 -20.873 -5.844 1.00 0.00 H new ATOM 0 HG2 GLN A 45 9.133 -19.728 -5.598 1.00 0.00 H new ATOM 0 HG3 GLN A 45 9.976 -18.279 -6.107 1.00 0.00 H new ATOM 0 HE21 GLN A 45 10.900 -18.174 -8.235 1.00 0.00 H new ATOM 0 HE22 GLN A 45 10.419 -19.324 -9.487 1.00 0.00 H new ATOM 691 N GLY A 46 12.003 -17.639 -3.891 1.00 0.00 N ATOM 692 CA GLY A 46 12.091 -16.285 -3.407 1.00 0.00 C ATOM 693 C GLY A 46 11.119 -15.381 -4.068 1.00 0.00 C ATOM 694 O GLY A 46 11.212 -14.204 -3.899 1.00 0.00 O ATOM 0 H GLY A 46 12.617 -17.844 -4.679 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.918 -16.275 -2.331 1.00 0.00 H new ATOM 0 HA3 GLY A 46 13.101 -15.909 -3.570 1.00 0.00 H new ATOM 698 N SER A 47 10.207 -15.962 -4.821 1.00 0.00 N ATOM 699 CA SER A 47 9.219 -15.263 -5.576 1.00 0.00 C ATOM 700 C SER A 47 8.522 -14.114 -4.876 1.00 0.00 C ATOM 701 O SER A 47 8.017 -13.260 -5.552 1.00 0.00 O ATOM 702 CB SER A 47 8.340 -16.265 -6.247 1.00 0.00 C ATOM 703 OG SER A 47 9.024 -16.813 -7.343 1.00 0.00 O ATOM 0 H SER A 47 10.142 -16.975 -4.919 1.00 0.00 H new ATOM 0 HA SER A 47 9.728 -14.687 -6.349 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.062 -17.052 -5.545 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.415 -15.792 -6.579 1.00 0.00 H new ATOM 0 HG SER A 47 8.380 -17.215 -7.963 1.00 0.00 H new ATOM 709 N GLU A 48 8.309 -14.181 -3.574 1.00 0.00 N ATOM 710 CA GLU A 48 8.038 -12.948 -2.767 1.00 0.00 C ATOM 711 C GLU A 48 8.709 -11.677 -3.436 1.00 0.00 C ATOM 712 O GLU A 48 8.105 -10.628 -3.565 1.00 0.00 O ATOM 713 CB GLU A 48 8.717 -13.153 -1.405 1.00 0.00 C ATOM 714 CG GLU A 48 8.201 -14.323 -0.593 1.00 0.00 C ATOM 715 CD GLU A 48 9.124 -14.706 0.545 1.00 0.00 C ATOM 716 OE1 GLU A 48 8.986 -14.181 1.662 1.00 0.00 O ATOM 717 OE2 GLU A 48 9.977 -15.589 0.352 1.00 0.00 O ATOM 0 H GLU A 48 8.313 -15.048 -3.037 1.00 0.00 H new ATOM 0 HA GLU A 48 6.962 -12.789 -2.691 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.786 -13.288 -1.568 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.597 -12.243 -0.817 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.220 -14.073 -0.189 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.066 -15.183 -1.250 1.00 0.00 H new ATOM 724 N GLN A 49 9.966 -11.866 -3.851 1.00 0.00 N ATOM 725 CA GLN A 49 10.771 -10.895 -4.624 1.00 0.00 C ATOM 726 C GLN A 49 9.901 -10.165 -5.692 1.00 0.00 C ATOM 727 O GLN A 49 9.886 -8.930 -5.771 1.00 0.00 O ATOM 728 CB GLN A 49 11.953 -11.684 -5.272 1.00 0.00 C ATOM 729 CG GLN A 49 12.965 -10.851 -6.069 1.00 0.00 C ATOM 730 CD GLN A 49 12.507 -10.444 -7.469 1.00 0.00 C ATOM 731 OE1 GLN A 49 12.844 -9.357 -7.946 1.00 0.00 O ATOM 732 NE2 GLN A 49 11.828 -11.338 -8.172 1.00 0.00 N ATOM 0 H GLN A 49 10.475 -12.728 -3.654 1.00 0.00 H new ATOM 0 HA GLN A 49 11.161 -10.113 -3.973 1.00 0.00 H new ATOM 0 HB2 GLN A 49 12.489 -12.210 -4.482 1.00 0.00 H new ATOM 0 HB3 GLN A 49 11.536 -12.443 -5.934 1.00 0.00 H new ATOM 0 HG2 GLN A 49 13.197 -9.949 -5.502 1.00 0.00 H new ATOM 0 HG3 GLN A 49 13.891 -11.419 -6.157 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.565 -12.227 -7.748 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.568 -11.137 -9.138 1.00 0.00 H new ATOM 741 N LEU A 50 9.188 -10.957 -6.487 1.00 0.00 N ATOM 742 CA LEU A 50 8.244 -10.557 -7.474 1.00 0.00 C ATOM 743 C LEU A 50 7.227 -9.670 -6.850 1.00 0.00 C ATOM 744 O LEU A 50 7.088 -8.514 -7.237 1.00 0.00 O ATOM 745 CB LEU A 50 7.539 -11.819 -7.952 1.00 0.00 C ATOM 746 CG LEU A 50 6.420 -11.671 -8.971 1.00 0.00 C ATOM 747 CD1 LEU A 50 6.967 -11.322 -10.343 1.00 0.00 C ATOM 748 CD2 LEU A 50 5.555 -12.921 -9.005 1.00 0.00 C ATOM 0 H LEU A 50 9.277 -11.972 -6.438 1.00 0.00 H new ATOM 0 HA LEU A 50 8.739 -10.032 -8.291 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.293 -12.481 -8.378 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.129 -12.324 -7.077 1.00 0.00 H new ATOM 0 HG LEU A 50 5.785 -10.841 -8.662 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.142 -11.223 -11.049 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.513 -10.380 -10.288 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.639 -12.112 -10.678 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.761 -12.794 -9.741 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.168 -13.780 -9.278 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.116 -13.086 -8.021 1.00 0.00 H new ATOM 760 N LEU A 51 6.598 -10.191 -5.809 1.00 0.00 N ATOM 761 CA LEU A 51 5.428 -9.563 -5.220 1.00 0.00 C ATOM 762 C LEU A 51 5.627 -8.194 -4.639 1.00 0.00 C ATOM 763 O LEU A 51 4.689 -7.453 -4.542 1.00 0.00 O ATOM 764 CB LEU A 51 4.667 -10.446 -4.256 1.00 0.00 C ATOM 765 CG LEU A 51 4.422 -9.876 -2.838 1.00 0.00 C ATOM 766 CD1 LEU A 51 3.245 -10.538 -2.197 1.00 0.00 C ATOM 767 CD2 LEU A 51 5.644 -10.056 -1.955 1.00 0.00 C ATOM 0 H LEU A 51 6.883 -11.057 -5.351 1.00 0.00 H new ATOM 0 HA LEU A 51 4.807 -9.415 -6.104 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.700 -10.681 -4.700 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.209 -11.387 -4.156 1.00 0.00 H new ATOM 0 HG LEU A 51 4.221 -8.810 -2.946 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.091 -10.122 -1.201 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.356 -10.366 -2.803 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.429 -11.610 -2.118 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.442 -9.646 -0.966 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.876 -11.117 -1.867 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.493 -9.534 -2.397 1.00 0.00 H new ATOM 779 N TYR A 52 6.829 -7.800 -4.430 1.00 0.00 N ATOM 780 CA TYR A 52 7.154 -6.557 -3.771 1.00 0.00 C ATOM 781 C TYR A 52 7.136 -5.490 -4.786 1.00 0.00 C ATOM 782 O TYR A 52 6.620 -4.405 -4.599 1.00 0.00 O ATOM 783 CB TYR A 52 8.554 -6.727 -3.316 1.00 0.00 C ATOM 784 CG TYR A 52 9.106 -5.627 -2.428 1.00 0.00 C ATOM 785 CD1 TYR A 52 8.267 -4.713 -1.794 1.00 0.00 C ATOM 786 CD2 TYR A 52 10.466 -5.529 -2.200 1.00 0.00 C ATOM 787 CE1 TYR A 52 8.774 -3.734 -0.963 1.00 0.00 C ATOM 788 CE2 TYR A 52 10.983 -4.561 -1.366 1.00 0.00 C ATOM 789 CZ TYR A 52 10.133 -3.669 -0.748 1.00 0.00 C ATOM 790 OH TYR A 52 10.644 -2.711 0.084 1.00 0.00 O ATOM 0 H TYR A 52 7.648 -8.337 -4.715 1.00 0.00 H new ATOM 0 HA TYR A 52 6.469 -6.314 -2.959 1.00 0.00 H new ATOM 0 HB2 TYR A 52 8.627 -7.672 -2.777 1.00 0.00 H new ATOM 0 HB3 TYR A 52 9.193 -6.811 -4.195 1.00 0.00 H new ATOM 0 HD1 TYR A 52 7.201 -4.771 -1.956 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.136 -6.224 -2.684 1.00 0.00 H new ATOM 0 HE1 TYR A 52 8.112 -3.026 -0.486 1.00 0.00 H new ATOM 0 HE2 TYR A 52 12.048 -4.502 -1.198 1.00 0.00 H new ATOM 0 HH TYR A 52 11.568 -2.940 0.318 1.00 0.00 H new ATOM 800 N LEU A 53 7.667 -5.915 -5.880 1.00 0.00 N ATOM 801 CA LEU A 53 7.696 -5.030 -6.984 1.00 0.00 C ATOM 802 C LEU A 53 6.259 -4.791 -7.364 1.00 0.00 C ATOM 803 O LEU A 53 5.848 -3.685 -7.555 1.00 0.00 O ATOM 804 CB LEU A 53 8.538 -5.645 -8.116 1.00 0.00 C ATOM 805 CG LEU A 53 8.846 -4.822 -9.385 1.00 0.00 C ATOM 806 CD1 LEU A 53 9.761 -5.648 -10.267 1.00 0.00 C ATOM 807 CD2 LEU A 53 7.591 -4.467 -10.167 1.00 0.00 C ATOM 0 H LEU A 53 8.074 -6.838 -6.030 1.00 0.00 H new ATOM 0 HA LEU A 53 8.168 -4.075 -6.755 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.493 -5.943 -7.684 1.00 0.00 H new ATOM 0 HB3 LEU A 53 8.034 -6.557 -8.436 1.00 0.00 H new ATOM 0 HG LEU A 53 9.313 -3.885 -9.081 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.995 -5.089 -11.173 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.683 -5.869 -9.729 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.264 -6.581 -10.534 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.864 -3.888 -11.050 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.083 -5.381 -10.475 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.925 -3.877 -9.538 1.00 0.00 H new ATOM 819 N LYS A 54 5.510 -5.852 -7.365 1.00 0.00 N ATOM 820 CA LYS A 54 4.140 -5.778 -7.836 1.00 0.00 C ATOM 821 C LYS A 54 3.224 -5.060 -6.900 1.00 0.00 C ATOM 822 O LYS A 54 2.538 -4.130 -7.276 1.00 0.00 O ATOM 823 CB LYS A 54 3.498 -7.112 -7.999 1.00 0.00 C ATOM 824 CG LYS A 54 4.396 -8.268 -8.255 1.00 0.00 C ATOM 825 CD LYS A 54 4.858 -8.344 -9.661 1.00 0.00 C ATOM 826 CE LYS A 54 5.891 -7.343 -10.071 1.00 0.00 C ATOM 827 NZ LYS A 54 6.236 -7.495 -11.499 1.00 0.00 N ATOM 0 H LYS A 54 5.810 -6.775 -7.051 1.00 0.00 H new ATOM 0 HA LYS A 54 4.253 -5.253 -8.785 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.923 -7.323 -7.097 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.787 -7.047 -8.823 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.262 -8.200 -7.597 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.873 -9.190 -8.000 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.259 -9.342 -9.836 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.992 -8.230 -10.313 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.519 -6.335 -9.888 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.786 -7.468 -9.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.207 -7.158 -11.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.169 -8.497 -11.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.576 -6.937 -12.077 1.00 0.00 H new ATOM 841 N GLU A 55 3.241 -5.500 -5.676 1.00 0.00 N ATOM 842 CA GLU A 55 2.239 -4.993 -4.793 1.00 0.00 C ATOM 843 C GLU A 55 2.434 -3.526 -4.653 1.00 0.00 C ATOM 844 O GLU A 55 1.511 -2.786 -4.785 1.00 0.00 O ATOM 845 CB GLU A 55 2.168 -5.710 -3.445 1.00 0.00 C ATOM 846 CG GLU A 55 3.372 -5.533 -2.561 1.00 0.00 C ATOM 847 CD GLU A 55 3.207 -6.250 -1.245 1.00 0.00 C ATOM 848 OE1 GLU A 55 2.249 -5.923 -0.511 1.00 0.00 O ATOM 849 OE2 GLU A 55 4.012 -7.157 -0.962 1.00 0.00 O ATOM 0 H GLU A 55 3.900 -6.172 -5.283 1.00 0.00 H new ATOM 0 HA GLU A 55 1.264 -5.195 -5.237 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.288 -5.355 -2.909 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.023 -6.775 -3.625 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.258 -5.910 -3.072 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.537 -4.471 -2.379 1.00 0.00 H new ATOM 856 N ILE A 56 3.665 -3.125 -4.527 1.00 0.00 N ATOM 857 CA ILE A 56 3.837 -1.702 -4.336 1.00 0.00 C ATOM 858 C ILE A 56 3.910 -0.930 -5.663 1.00 0.00 C ATOM 859 O ILE A 56 3.449 0.203 -5.749 1.00 0.00 O ATOM 860 CB ILE A 56 4.989 -1.304 -3.397 1.00 0.00 C ATOM 861 CG1 ILE A 56 6.311 -1.549 -4.103 1.00 0.00 C ATOM 862 CG2 ILE A 56 4.922 -2.093 -2.095 1.00 0.00 C ATOM 863 CD1 ILE A 56 7.544 -1.318 -3.261 1.00 0.00 C ATOM 0 H ILE A 56 4.507 -3.701 -4.549 1.00 0.00 H new ATOM 0 HA ILE A 56 2.926 -1.402 -3.818 1.00 0.00 H new ATOM 0 HB ILE A 56 4.901 -0.246 -3.148 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.326 -2.577 -4.465 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.362 -0.902 -4.978 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.746 -1.795 -1.446 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.975 -1.890 -1.595 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.997 -3.159 -2.311 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.434 -1.520 -3.857 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.563 -0.283 -2.920 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.526 -1.984 -2.399 1.00 0.00 H new ATOM 875 N SER A 57 4.437 -1.547 -6.688 1.00 0.00 N ATOM 876 CA SER A 57 4.600 -0.910 -7.970 1.00 0.00 C ATOM 877 C SER A 57 3.869 -1.779 -8.989 1.00 0.00 C ATOM 878 O SER A 57 4.459 -2.575 -9.720 1.00 0.00 O ATOM 879 CB SER A 57 6.098 -0.723 -8.292 1.00 0.00 C ATOM 880 OG SER A 57 6.324 0.242 -9.309 1.00 0.00 O ATOM 0 H SER A 57 4.767 -2.512 -6.657 1.00 0.00 H new ATOM 0 HA SER A 57 4.174 0.093 -7.985 1.00 0.00 H new ATOM 0 HB2 SER A 57 6.625 -0.421 -7.387 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.521 -1.678 -8.603 1.00 0.00 H new ATOM 0 HG SER A 57 7.287 0.324 -9.474 1.00 0.00 H new ATOM 886 N HIS A 58 2.575 -1.566 -8.993 1.00 0.00 N ATOM 887 CA HIS A 58 1.509 -2.289 -9.644 1.00 0.00 C ATOM 888 C HIS A 58 0.215 -2.010 -8.871 1.00 0.00 C ATOM 889 O HIS A 58 -0.542 -1.145 -9.295 1.00 0.00 O ATOM 890 CB HIS A 58 1.787 -3.790 -9.955 1.00 0.00 C ATOM 891 CG HIS A 58 0.595 -4.702 -10.022 1.00 0.00 C ATOM 892 ND1 HIS A 58 0.263 -5.475 -8.940 1.00 0.00 N ATOM 893 CD2 HIS A 58 -0.282 -4.944 -11.024 1.00 0.00 C ATOM 894 CE1 HIS A 58 -0.792 -6.163 -9.290 1.00 0.00 C ATOM 895 NE2 HIS A 58 -1.164 -5.882 -10.542 1.00 0.00 N ATOM 0 H HIS A 58 2.196 -0.776 -8.470 1.00 0.00 H new ATOM 0 HA HIS A 58 1.411 -1.911 -10.662 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.312 -3.847 -10.908 1.00 0.00 H new ATOM 0 HB3 HIS A 58 2.466 -4.174 -9.194 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -0.288 -4.491 -12.005 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -1.299 -6.869 -8.649 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -1.953 -6.287 -11.045 1.00 0.00 H new ATOM 903 N ALA A 59 -0.027 -2.569 -7.684 1.00 0.00 N ATOM 904 CA ALA A 59 -1.325 -2.495 -7.023 1.00 0.00 C ATOM 905 C ALA A 59 -1.428 -1.370 -6.026 1.00 0.00 C ATOM 906 O ALA A 59 -2.388 -0.604 -6.066 1.00 0.00 O ATOM 907 CB ALA A 59 -1.609 -3.814 -6.380 1.00 0.00 C ATOM 0 H ALA A 59 0.675 -3.086 -7.155 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.075 -2.273 -7.782 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.577 -3.775 -5.881 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.625 -4.594 -7.141 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.833 -4.037 -5.648 1.00 0.00 H new ATOM 913 N LEU A 60 -0.460 -1.253 -5.134 1.00 0.00 N ATOM 914 CA LEU A 60 -0.393 -0.159 -4.184 1.00 0.00 C ATOM 915 C LEU A 60 -0.181 1.080 -4.993 1.00 0.00 C ATOM 916 O LEU A 60 -0.677 2.117 -4.680 1.00 0.00 O ATOM 917 CB LEU A 60 0.781 -0.369 -3.227 1.00 0.00 C ATOM 918 CG LEU A 60 0.732 0.304 -1.857 1.00 0.00 C ATOM 919 CD1 LEU A 60 -0.407 -0.272 -1.032 1.00 0.00 C ATOM 920 CD2 LEU A 60 2.053 0.089 -1.140 1.00 0.00 C ATOM 0 H LEU A 60 0.307 -1.920 -5.049 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.301 -0.093 -3.584 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.890 -1.442 -3.066 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.685 -0.029 -3.732 1.00 0.00 H new ATOM 0 HG LEU A 60 0.562 1.373 -1.988 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.433 0.215 -0.057 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.352 -0.102 -1.548 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.254 -1.343 -0.899 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.019 0.569 -0.162 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.229 -0.979 -1.014 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.861 0.523 -1.729 1.00 0.00 H new ATOM 932 N LYS A 61 0.495 0.925 -6.100 1.00 0.00 N ATOM 933 CA LYS A 61 0.723 2.021 -6.996 1.00 0.00 C ATOM 934 C LYS A 61 -0.591 2.469 -7.647 1.00 0.00 C ATOM 935 O LYS A 61 -0.787 3.656 -7.865 1.00 0.00 O ATOM 936 CB LYS A 61 1.777 1.644 -8.023 1.00 0.00 C ATOM 937 CG LYS A 61 2.296 2.771 -8.925 1.00 0.00 C ATOM 938 CD LYS A 61 3.339 3.684 -8.263 1.00 0.00 C ATOM 939 CE LYS A 61 2.801 4.524 -7.112 1.00 0.00 C ATOM 940 NZ LYS A 61 3.803 5.490 -6.625 1.00 0.00 N ATOM 0 H LYS A 61 0.900 0.039 -6.403 1.00 0.00 H new ATOM 0 HA LYS A 61 1.104 2.873 -6.433 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.627 1.212 -7.495 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.366 0.861 -8.660 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.733 2.331 -9.821 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.451 3.379 -9.248 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.160 3.069 -7.895 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.753 4.350 -9.020 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.909 5.059 -7.438 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.499 3.870 -6.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.320 6.302 -6.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.413 5.031 -5.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.384 5.819 -7.422 1.00 0.00 H new ATOM 954 N SER A 62 -1.539 1.551 -7.829 1.00 0.00 N ATOM 955 CA SER A 62 -2.805 1.909 -8.425 1.00 0.00 C ATOM 956 C SER A 62 -3.708 2.534 -7.376 1.00 0.00 C ATOM 957 O SER A 62 -4.143 3.700 -7.465 1.00 0.00 O ATOM 958 CB SER A 62 -3.483 0.693 -9.081 1.00 0.00 C ATOM 959 OG SER A 62 -2.665 0.134 -10.101 1.00 0.00 O ATOM 0 H SER A 62 -1.448 0.568 -7.573 1.00 0.00 H new ATOM 0 HA SER A 62 -2.620 2.639 -9.214 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.691 -0.063 -8.324 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.442 0.993 -9.504 1.00 0.00 H new ATOM 0 HG SER A 62 -1.762 -0.017 -9.750 1.00 0.00 H new ATOM 965 N SER A 63 -3.910 1.771 -6.346 1.00 0.00 N ATOM 966 CA SER A 63 -4.727 2.066 -5.256 1.00 0.00 C ATOM 967 C SER A 63 -4.244 3.301 -4.546 1.00 0.00 C ATOM 968 O SER A 63 -5.011 4.186 -4.330 1.00 0.00 O ATOM 969 CB SER A 63 -4.678 0.847 -4.355 1.00 0.00 C ATOM 970 OG SER A 63 -5.175 -0.276 -5.031 1.00 0.00 O ATOM 0 H SER A 63 -3.463 0.858 -6.259 1.00 0.00 H new ATOM 0 HA SER A 63 -5.750 2.278 -5.565 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.652 0.663 -4.035 1.00 0.00 H new ATOM 0 HB3 SER A 63 -5.265 1.028 -3.455 1.00 0.00 H new ATOM 0 HG SER A 63 -4.449 -0.704 -5.532 1.00 0.00 H new ATOM 976 N ALA A 64 -2.962 3.379 -4.253 1.00 0.00 N ATOM 977 CA ALA A 64 -2.467 4.505 -3.459 1.00 0.00 C ATOM 978 C ALA A 64 -2.425 5.781 -4.262 1.00 0.00 C ATOM 979 O ALA A 64 -2.560 6.822 -3.732 1.00 0.00 O ATOM 980 CB ALA A 64 -1.140 4.243 -2.761 1.00 0.00 C ATOM 0 H ALA A 64 -2.255 2.702 -4.539 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.196 4.629 -2.659 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.846 5.127 -2.195 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.247 3.397 -2.082 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.376 4.017 -3.505 1.00 0.00 H new ATOM 986 N ALA A 65 -2.325 5.700 -5.562 1.00 0.00 N ATOM 987 CA ALA A 65 -2.346 6.894 -6.402 1.00 0.00 C ATOM 988 C ALA A 65 -3.752 7.482 -6.357 1.00 0.00 C ATOM 989 O ALA A 65 -3.989 8.631 -6.736 1.00 0.00 O ATOM 990 CB ALA A 65 -1.961 6.552 -7.829 1.00 0.00 C ATOM 0 H ALA A 65 -2.228 4.823 -6.074 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.623 7.621 -6.031 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.983 7.456 -8.438 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.957 6.129 -7.843 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.667 5.825 -8.232 1.00 0.00 H new ATOM 996 N SER A 66 -4.681 6.656 -5.908 1.00 0.00 N ATOM 997 CA SER A 66 -6.033 7.060 -5.688 1.00 0.00 C ATOM 998 C SER A 66 -6.313 7.276 -4.178 1.00 0.00 C ATOM 999 O SER A 66 -6.697 8.362 -3.777 1.00 0.00 O ATOM 1000 CB SER A 66 -6.957 5.995 -6.269 1.00 0.00 C ATOM 1001 OG SER A 66 -6.576 5.699 -7.612 1.00 0.00 O ATOM 0 H SER A 66 -4.502 5.676 -5.687 1.00 0.00 H new ATOM 0 HA SER A 66 -6.214 8.013 -6.185 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.911 5.091 -5.662 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.989 6.344 -6.244 1.00 0.00 H new ATOM 0 HG SER A 66 -5.817 5.079 -7.608 1.00 0.00 H new ATOM 1007 N PHE A 67 -6.042 6.275 -3.325 1.00 0.00 N ATOM 1008 CA PHE A 67 -6.480 6.356 -1.904 1.00 0.00 C ATOM 1009 C PHE A 67 -5.403 6.818 -0.926 1.00 0.00 C ATOM 1010 O PHE A 67 -5.589 6.817 0.293 1.00 0.00 O ATOM 1011 CB PHE A 67 -7.089 5.038 -1.401 1.00 0.00 C ATOM 1012 CG PHE A 67 -6.230 3.784 -1.308 1.00 0.00 C ATOM 1013 CD1 PHE A 67 -4.880 3.820 -0.986 1.00 0.00 C ATOM 1014 CD2 PHE A 67 -6.821 2.549 -1.487 1.00 0.00 C ATOM 1015 CE1 PHE A 67 -4.150 2.661 -0.860 1.00 0.00 C ATOM 1016 CE2 PHE A 67 -6.099 1.385 -1.367 1.00 0.00 C ATOM 1017 CZ PHE A 67 -4.760 1.440 -1.055 1.00 0.00 C ATOM 0 H PHE A 67 -5.539 5.423 -3.573 1.00 0.00 H new ATOM 0 HA PHE A 67 -7.247 7.131 -1.922 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -7.493 5.227 -0.407 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -7.934 4.804 -2.049 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -4.395 4.773 -0.832 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -7.873 2.496 -1.726 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.101 2.707 -0.609 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -6.581 0.430 -1.517 1.00 0.00 H new ATOM 0 HZ PHE A 67 -4.188 0.529 -0.963 1.00 0.00 H new ATOM 1027 N GLY A 68 -4.326 7.240 -1.466 1.00 0.00 N ATOM 1028 CA GLY A 68 -3.200 7.593 -0.650 1.00 0.00 C ATOM 1029 C GLY A 68 -2.212 8.308 -1.481 1.00 0.00 C ATOM 1030 O GLY A 68 -0.995 8.079 -1.399 1.00 0.00 O ATOM 0 H GLY A 68 -4.186 7.355 -2.470 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.519 8.222 0.181 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.752 6.698 -0.218 1.00 0.00 H new ATOM 1034 N ALA A 69 -2.791 9.196 -2.275 1.00 0.00 N ATOM 1035 CA ALA A 69 -2.068 9.976 -3.286 1.00 0.00 C ATOM 1036 C ALA A 69 -1.062 10.964 -2.680 1.00 0.00 C ATOM 1037 O ALA A 69 -0.608 11.903 -3.335 1.00 0.00 O ATOM 1038 CB ALA A 69 -3.065 10.710 -4.174 1.00 0.00 C ATOM 0 H ALA A 69 -3.789 9.403 -2.240 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.485 9.272 -3.880 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.527 11.289 -4.924 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.712 9.986 -4.670 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.670 11.381 -3.564 1.00 0.00 H new ATOM 1044 N ASP A 70 -0.653 10.689 -1.464 1.00 0.00 N ATOM 1045 CA ASP A 70 0.242 11.531 -0.744 1.00 0.00 C ATOM 1046 C ASP A 70 1.486 10.655 -0.540 1.00 0.00 C ATOM 1047 O ASP A 70 2.084 10.173 -1.541 1.00 0.00 O ATOM 1048 CB ASP A 70 -0.372 12.039 0.573 1.00 0.00 C ATOM 1049 CG ASP A 70 0.560 12.950 1.351 1.00 0.00 C ATOM 1050 OD1 ASP A 70 0.812 14.091 0.916 1.00 0.00 O ATOM 1051 OD2 ASP A 70 1.091 12.504 2.388 1.00 0.00 O ATOM 0 H ASP A 70 -0.944 9.858 -0.948 1.00 0.00 H new ATOM 0 HA ASP A 70 0.482 12.451 -1.278 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.295 12.575 0.354 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -0.639 11.185 1.196 1.00 0.00 H new ATOM 1056 N ARG A 71 1.875 10.317 0.669 1.00 0.00 N ATOM 1057 CA ARG A 71 3.023 9.556 1.058 1.00 0.00 C ATOM 1058 C ARG A 71 3.007 8.085 0.737 1.00 0.00 C ATOM 1059 O ARG A 71 3.984 7.603 0.230 1.00 0.00 O ATOM 1060 CB ARG A 71 3.220 9.768 2.525 1.00 0.00 C ATOM 1061 CG ARG A 71 3.830 11.115 2.785 1.00 0.00 C ATOM 1062 CD ARG A 71 3.664 11.590 4.212 1.00 0.00 C ATOM 1063 NE ARG A 71 4.421 12.823 4.429 1.00 0.00 N ATOM 1064 CZ ARG A 71 4.079 14.045 3.975 1.00 0.00 C ATOM 1065 NH1 ARG A 71 2.959 14.230 3.266 1.00 0.00 N ATOM 1066 NH2 ARG A 71 4.873 15.077 4.225 1.00 0.00 N ATOM 0 H ARG A 71 1.332 10.603 1.483 1.00 0.00 H new ATOM 0 HA ARG A 71 3.852 9.925 0.454 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.263 9.690 3.041 1.00 0.00 H new ATOM 0 HB3 ARG A 71 3.864 8.987 2.928 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.893 11.076 2.545 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.378 11.845 2.113 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.609 11.761 4.425 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.007 10.819 4.901 1.00 0.00 H new ATOM 0 HE ARG A 71 5.282 12.752 4.971 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.348 13.439 3.061 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.716 15.162 2.930 1.00 0.00 H new ATOM 0 HH21 ARG A 71 5.733 14.942 4.756 1.00 0.00 H new ATOM 0 HH22 ARG A 71 4.624 16.006 3.886 1.00 0.00 H new ATOM 1080 N LEU A 72 1.936 7.355 1.015 1.00 0.00 N ATOM 1081 CA LEU A 72 1.941 5.880 0.762 1.00 0.00 C ATOM 1082 C LEU A 72 2.344 5.633 -0.670 1.00 0.00 C ATOM 1083 O LEU A 72 3.023 4.683 -1.012 1.00 0.00 O ATOM 1084 CB LEU A 72 0.547 5.290 0.860 1.00 0.00 C ATOM 1085 CG LEU A 72 -0.351 5.768 1.967 1.00 0.00 C ATOM 1086 CD1 LEU A 72 -1.634 4.939 1.976 1.00 0.00 C ATOM 1087 CD2 LEU A 72 0.349 5.746 3.322 1.00 0.00 C ATOM 0 H LEU A 72 1.068 7.724 1.404 1.00 0.00 H new ATOM 0 HA LEU A 72 2.613 5.436 1.496 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.039 5.478 -0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.649 4.209 0.957 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.609 6.810 1.779 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.285 5.285 2.778 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.146 5.050 1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.388 3.889 2.136 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.337 6.099 4.092 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.661 4.728 3.554 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.224 6.395 3.290 1.00 0.00 H new ATOM 1099 N CYS A 73 1.925 6.571 -1.449 1.00 0.00 N ATOM 1100 CA CYS A 73 2.091 6.403 -2.849 1.00 0.00 C ATOM 1101 C CYS A 73 3.588 6.380 -3.237 1.00 0.00 C ATOM 1102 O CYS A 73 4.125 5.352 -3.678 1.00 0.00 O ATOM 1103 CB CYS A 73 1.266 7.406 -3.653 1.00 0.00 C ATOM 1104 SG CYS A 73 1.427 7.255 -5.439 1.00 0.00 S ATOM 0 H CYS A 73 1.478 7.438 -1.151 1.00 0.00 H new ATOM 0 HA CYS A 73 1.691 5.425 -3.118 1.00 0.00 H new ATOM 0 HB2 CYS A 73 0.216 7.289 -3.386 1.00 0.00 H new ATOM 0 HB3 CYS A 73 1.559 8.414 -3.360 1.00 0.00 H new ATOM 0 HG CYS A 73 0.685 8.151 -6.019 1.00 0.00 H new ATOM 1110 N GLU A 74 4.309 7.428 -2.940 1.00 0.00 N ATOM 1111 CA GLU A 74 5.693 7.452 -3.455 1.00 0.00 C ATOM 1112 C GLU A 74 6.680 7.327 -2.327 1.00 0.00 C ATOM 1113 O GLU A 74 7.789 6.792 -2.479 1.00 0.00 O ATOM 1114 CB GLU A 74 5.956 8.714 -4.268 1.00 0.00 C ATOM 1115 CG GLU A 74 7.283 8.725 -5.006 1.00 0.00 C ATOM 1116 CD GLU A 74 7.305 7.729 -6.145 1.00 0.00 C ATOM 1117 OE1 GLU A 74 6.689 8.017 -7.193 1.00 0.00 O ATOM 1118 OE2 GLU A 74 7.923 6.655 -6.022 1.00 0.00 O ATOM 0 H GLU A 74 4.011 8.232 -2.387 1.00 0.00 H new ATOM 0 HA GLU A 74 5.820 6.597 -4.119 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.151 8.838 -4.993 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.919 9.575 -3.600 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.473 9.725 -5.395 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.088 8.496 -4.308 1.00 0.00 H new ATOM 1125 N ARG A 75 6.227 7.754 -1.187 1.00 0.00 N ATOM 1126 CA ARG A 75 7.044 7.782 -0.024 1.00 0.00 C ATOM 1127 C ARG A 75 7.081 6.349 0.521 1.00 0.00 C ATOM 1128 O ARG A 75 7.944 5.990 1.266 1.00 0.00 O ATOM 1129 CB ARG A 75 6.456 8.828 0.966 1.00 0.00 C ATOM 1130 CG ARG A 75 6.972 8.856 2.405 1.00 0.00 C ATOM 1131 CD ARG A 75 6.471 7.668 3.206 1.00 0.00 C ATOM 1132 NE ARG A 75 7.230 7.413 4.431 1.00 0.00 N ATOM 1133 CZ ARG A 75 7.695 6.200 4.776 1.00 0.00 C ATOM 1134 NH1 ARG A 75 7.681 5.218 3.885 1.00 0.00 N ATOM 1135 NH2 ARG A 75 8.246 6.005 5.962 1.00 0.00 N ATOM 0 H ARG A 75 5.276 8.093 -1.043 1.00 0.00 H new ATOM 0 HA ARG A 75 8.071 8.093 -0.216 1.00 0.00 H new ATOM 0 HB2 ARG A 75 6.621 9.816 0.537 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.378 8.674 1.006 1.00 0.00 H new ATOM 0 HG2 ARG A 75 8.062 8.858 2.400 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.654 9.780 2.887 1.00 0.00 H new ATOM 0 HD2 ARG A 75 5.426 7.833 3.466 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.506 6.778 2.577 1.00 0.00 H new ATOM 0 HE ARG A 75 7.416 8.197 5.056 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.319 5.386 2.946 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.032 4.294 4.138 1.00 0.00 H new ATOM 0 HH21 ARG A 75 8.321 6.778 6.623 1.00 0.00 H new ATOM 0 HH22 ARG A 75 8.596 5.081 6.216 1.00 0.00 H new ATOM 1149 N ALA A 76 6.155 5.509 0.158 1.00 0.00 N ATOM 1150 CA ALA A 76 6.301 4.157 0.623 1.00 0.00 C ATOM 1151 C ALA A 76 7.110 3.446 -0.407 1.00 0.00 C ATOM 1152 O ALA A 76 7.990 2.700 -0.091 1.00 0.00 O ATOM 1153 CB ALA A 76 4.968 3.479 0.847 1.00 0.00 C ATOM 0 H ALA A 76 5.340 5.713 -0.421 1.00 0.00 H new ATOM 0 HA ALA A 76 6.795 4.140 1.595 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.132 2.460 1.198 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.399 4.033 1.594 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.410 3.455 -0.089 1.00 0.00 H new ATOM 1159 N ILE A 77 6.734 3.697 -1.646 1.00 0.00 N ATOM 1160 CA ILE A 77 7.548 3.021 -2.667 1.00 0.00 C ATOM 1161 C ILE A 77 9.070 3.323 -2.560 1.00 0.00 C ATOM 1162 O ILE A 77 9.849 2.462 -2.062 1.00 0.00 O ATOM 1163 CB ILE A 77 6.979 3.119 -4.115 1.00 0.00 C ATOM 1164 CG1 ILE A 77 5.712 2.254 -4.263 1.00 0.00 C ATOM 1165 CG2 ILE A 77 8.008 2.599 -5.125 1.00 0.00 C ATOM 1166 CD1 ILE A 77 4.693 2.408 -3.163 1.00 0.00 C ATOM 0 H ILE A 77 5.965 4.290 -1.960 1.00 0.00 H new ATOM 0 HA ILE A 77 7.459 1.963 -2.422 1.00 0.00 H new ATOM 0 HB ILE A 77 6.746 4.167 -4.304 1.00 0.00 H new ATOM 0 HG12 ILE A 77 5.236 2.496 -5.213 1.00 0.00 H new ATOM 0 HG13 ILE A 77 6.011 1.207 -4.314 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.598 2.673 -6.132 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.917 3.196 -5.058 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.241 1.557 -4.904 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.842 1.757 -3.362 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.143 2.135 -2.209 1.00 0.00 H new ATOM 0 HD13 ILE A 77 4.356 3.444 -3.122 1.00 0.00 H new ATOM 1178 N ALA A 78 9.514 4.497 -3.013 1.00 0.00 N ATOM 1179 CA ALA A 78 10.921 4.848 -2.829 1.00 0.00 C ATOM 1180 C ALA A 78 11.440 4.822 -1.411 1.00 0.00 C ATOM 1181 O ALA A 78 12.568 4.359 -1.176 1.00 0.00 O ATOM 1182 CB ALA A 78 11.176 6.214 -3.451 1.00 0.00 C ATOM 0 H ALA A 78 8.945 5.196 -3.491 1.00 0.00 H new ATOM 0 HA ALA A 78 11.479 4.057 -3.329 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.224 6.484 -3.318 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.942 6.179 -4.515 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.545 6.958 -2.965 1.00 0.00 H new ATOM 1188 N ILE A 79 10.603 5.168 -0.457 1.00 0.00 N ATOM 1189 CA ILE A 79 11.111 5.513 0.842 1.00 0.00 C ATOM 1190 C ILE A 79 11.067 4.363 1.864 1.00 0.00 C ATOM 1191 O ILE A 79 11.818 4.360 2.897 1.00 0.00 O ATOM 1192 CB ILE A 79 10.497 6.839 1.303 1.00 0.00 C ATOM 1193 CG1 ILE A 79 10.708 7.889 0.195 1.00 0.00 C ATOM 1194 CG2 ILE A 79 11.072 7.307 2.618 1.00 0.00 C ATOM 1195 CD1 ILE A 79 10.306 9.308 0.552 1.00 0.00 C ATOM 0 H ILE A 79 9.589 5.216 -0.557 1.00 0.00 H new ATOM 0 HA ILE A 79 12.185 5.680 0.759 1.00 0.00 H new ATOM 0 HB ILE A 79 9.431 6.693 1.476 1.00 0.00 H new ATOM 0 HG12 ILE A 79 11.761 7.888 -0.086 1.00 0.00 H new ATOM 0 HG13 ILE A 79 10.144 7.581 -0.685 1.00 0.00 H new ATOM 0 HG21 ILE A 79 10.606 8.250 2.904 1.00 0.00 H new ATOM 0 HG22 ILE A 79 10.878 6.559 3.387 1.00 0.00 H new ATOM 0 HG23 ILE A 79 12.148 7.450 2.514 1.00 0.00 H new ATOM 0 HD11 ILE A 79 10.496 9.965 -0.297 1.00 0.00 H new ATOM 0 HD12 ILE A 79 9.245 9.334 0.801 1.00 0.00 H new ATOM 0 HD13 ILE A 79 10.888 9.646 1.409 1.00 0.00 H new ATOM 1207 N ASP A 80 10.642 3.227 1.371 1.00 0.00 N ATOM 1208 CA ASP A 80 10.568 2.055 2.169 1.00 0.00 C ATOM 1209 C ASP A 80 11.700 1.259 1.914 1.00 0.00 C ATOM 1210 O ASP A 80 12.563 1.115 2.802 1.00 0.00 O ATOM 1211 CB ASP A 80 9.270 1.232 1.995 1.00 0.00 C ATOM 1212 CG ASP A 80 8.206 1.533 3.048 1.00 0.00 C ATOM 1213 OD1 ASP A 80 8.038 2.706 3.449 1.00 0.00 O ATOM 1214 OD2 ASP A 80 7.607 0.567 3.592 1.00 0.00 O ATOM 0 H ASP A 80 10.341 3.101 0.405 1.00 0.00 H new ATOM 0 HA ASP A 80 10.547 2.385 3.207 1.00 0.00 H new ATOM 0 HB2 ASP A 80 8.856 1.429 1.006 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.516 0.171 2.033 1.00 0.00 H new ATOM 1219 N LYS A 81 11.752 0.856 0.651 1.00 0.00 N ATOM 1220 CA LYS A 81 12.742 -0.039 0.182 1.00 0.00 C ATOM 1221 C LYS A 81 14.085 0.461 0.617 1.00 0.00 C ATOM 1222 O LYS A 81 14.712 -0.194 1.476 1.00 0.00 O ATOM 1223 CB LYS A 81 12.538 -0.329 -1.310 1.00 0.00 C ATOM 1224 CG LYS A 81 12.663 0.851 -2.259 1.00 0.00 C ATOM 1225 CD LYS A 81 12.024 0.485 -3.593 1.00 0.00 C ATOM 1226 CE LYS A 81 12.246 1.530 -4.667 1.00 0.00 C ATOM 1227 NZ LYS A 81 13.653 1.572 -5.115 1.00 0.00 N ATOM 0 H LYS A 81 11.091 1.158 -0.065 1.00 0.00 H new ATOM 0 HA LYS A 81 12.661 -1.030 0.629 1.00 0.00 H new ATOM 0 HB2 LYS A 81 13.262 -1.086 -1.611 1.00 0.00 H new ATOM 0 HB3 LYS A 81 11.548 -0.766 -1.439 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.174 1.728 -1.835 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.712 1.109 -2.402 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.429 -0.468 -3.933 1.00 0.00 H new ATOM 0 HD3 LYS A 81 10.953 0.343 -3.449 1.00 0.00 H new ATOM 0 HE2 LYS A 81 11.600 1.317 -5.519 1.00 0.00 H new ATOM 0 HE3 LYS A 81 11.958 2.509 -4.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 13.739 2.213 -5.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 14.254 1.915 -4.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 13.958 0.617 -5.393 1.00 0.00 H new ATOM 1241 N LYS A 82 14.448 1.635 0.087 1.00 0.00 N ATOM 1242 CA LYS A 82 15.510 2.478 0.580 1.00 0.00 C ATOM 1243 C LYS A 82 15.981 2.138 2.004 1.00 0.00 C ATOM 1244 O LYS A 82 16.912 1.303 2.196 1.00 0.00 O ATOM 1245 CB LYS A 82 14.997 3.897 0.462 1.00 0.00 C ATOM 1246 CG LYS A 82 15.635 4.903 1.349 1.00 0.00 C ATOM 1247 CD LYS A 82 14.605 5.937 1.656 1.00 0.00 C ATOM 1248 CE LYS A 82 14.961 6.702 2.892 1.00 0.00 C ATOM 1249 NZ LYS A 82 16.254 7.411 2.786 1.00 0.00 N ATOM 0 H LYS A 82 13.982 2.027 -0.731 1.00 0.00 H new ATOM 0 HA LYS A 82 16.411 2.323 -0.013 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.124 4.222 -0.571 1.00 0.00 H new ATOM 0 HB3 LYS A 82 13.926 3.892 0.665 1.00 0.00 H new ATOM 0 HG2 LYS A 82 15.995 4.435 2.265 1.00 0.00 H new ATOM 0 HG3 LYS A 82 16.499 5.354 0.861 1.00 0.00 H new ATOM 0 HD2 LYS A 82 14.512 6.623 0.814 1.00 0.00 H new ATOM 0 HD3 LYS A 82 13.634 5.460 1.787 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.174 7.425 3.103 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.999 6.016 3.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 16.373 8.040 3.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 17.029 6.718 2.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 16.271 7.974 1.912 1.00 0.00 H new ATOM 1263 N ALA A 83 15.259 2.446 3.046 1.00 0.00 N ATOM 1264 CA ALA A 83 15.994 2.326 4.274 1.00 0.00 C ATOM 1265 C ALA A 83 15.210 1.727 5.289 1.00 0.00 C ATOM 1266 O ALA A 83 15.706 0.942 6.018 1.00 0.00 O ATOM 1267 CB ALA A 83 16.544 3.653 4.755 1.00 0.00 C ATOM 0 H ALA A 83 14.285 2.746 3.082 1.00 0.00 H new ATOM 0 HA ALA A 83 16.843 1.678 4.057 1.00 0.00 H new ATOM 0 HB1 ALA A 83 17.090 3.504 5.686 1.00 0.00 H new ATOM 0 HB2 ALA A 83 17.216 4.063 4.001 1.00 0.00 H new ATOM 0 HB3 ALA A 83 15.721 4.348 4.924 1.00 0.00 H new ATOM 1273 N LYS A 84 13.999 2.169 5.355 1.00 0.00 N ATOM 1274 CA LYS A 84 13.215 1.565 6.387 1.00 0.00 C ATOM 1275 C LYS A 84 13.110 0.040 6.128 1.00 0.00 C ATOM 1276 O LYS A 84 12.919 -0.712 7.067 1.00 0.00 O ATOM 1277 CB LYS A 84 11.878 2.276 6.622 1.00 0.00 C ATOM 1278 CG LYS A 84 10.950 2.170 5.468 1.00 0.00 C ATOM 1279 CD LYS A 84 10.126 0.898 5.510 1.00 0.00 C ATOM 1280 CE LYS A 84 8.956 0.995 6.468 1.00 0.00 C ATOM 1281 NZ LYS A 84 7.927 -0.023 6.131 1.00 0.00 N ATOM 0 H LYS A 84 13.558 2.878 4.770 1.00 0.00 H new ATOM 0 HA LYS A 84 13.724 1.691 7.342 1.00 0.00 H new ATOM 0 HB2 LYS A 84 11.399 1.853 7.505 1.00 0.00 H new ATOM 0 HB3 LYS A 84 12.066 3.329 6.834 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.283 3.032 5.460 1.00 0.00 H new ATOM 0 HG3 LYS A 84 11.522 2.200 4.540 1.00 0.00 H new ATOM 0 HD2 LYS A 84 9.755 0.677 4.509 1.00 0.00 H new ATOM 0 HD3 LYS A 84 10.764 0.065 5.805 1.00 0.00 H new ATOM 0 HE2 LYS A 84 9.302 0.847 7.491 1.00 0.00 H new ATOM 0 HE3 LYS A 84 8.520 1.993 6.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 6.998 0.296 6.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 7.891 -0.152 5.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 8.171 -0.927 6.585 1.00 0.00 H new ATOM 1295 N ALA A 85 13.298 -0.426 4.855 1.00 0.00 N ATOM 1296 CA ALA A 85 13.314 -1.838 4.585 1.00 0.00 C ATOM 1297 C ALA A 85 14.695 -2.442 4.841 1.00 0.00 C ATOM 1298 O ALA A 85 14.774 -3.577 5.348 1.00 0.00 O ATOM 1299 CB ALA A 85 12.913 -2.085 3.156 1.00 0.00 C ATOM 0 H ALA A 85 13.435 0.168 4.038 1.00 0.00 H new ATOM 0 HA ALA A 85 12.604 -2.318 5.259 1.00 0.00 H new ATOM 0 HB1 ALA A 85 12.926 -3.156 2.954 1.00 0.00 H new ATOM 0 HB2 ALA A 85 11.909 -1.696 2.988 1.00 0.00 H new ATOM 0 HB3 ALA A 85 13.613 -1.582 2.489 1.00 0.00 H new ATOM 1305 N ASN A 86 15.812 -1.708 4.584 1.00 0.00 N ATOM 1306 CA ASN A 86 17.090 -2.279 5.060 1.00 0.00 C ATOM 1307 C ASN A 86 17.231 -2.127 6.551 1.00 0.00 C ATOM 1308 O ASN A 86 18.099 -2.745 7.167 1.00 0.00 O ATOM 1309 CB ASN A 86 18.325 -1.647 4.472 1.00 0.00 C ATOM 1310 CG ASN A 86 18.428 -1.690 2.963 1.00 0.00 C ATOM 1311 OD1 ASN A 86 19.055 -0.834 2.357 1.00 0.00 O ATOM 1312 ND2 ASN A 86 17.813 -2.668 2.335 1.00 0.00 N ATOM 0 H ASN A 86 15.856 -0.811 4.100 1.00 0.00 H new ATOM 0 HA ASN A 86 17.034 -3.320 4.741 1.00 0.00 H new ATOM 0 HB2 ASN A 86 18.365 -0.606 4.791 1.00 0.00 H new ATOM 0 HB3 ASN A 86 19.200 -2.143 4.892 1.00 0.00 H new ATOM 0 HD21 ASN A 86 17.852 -2.725 1.317 1.00 0.00 H new ATOM 0 HD22 ASN A 86 17.297 -3.370 2.866 1.00 0.00 H new ATOM 1319 N GLN A 87 16.400 -1.294 7.124 1.00 0.00 N ATOM 1320 CA GLN A 87 16.431 -0.990 8.516 1.00 0.00 C ATOM 1321 C GLN A 87 15.843 -2.129 9.266 1.00 0.00 C ATOM 1322 O GLN A 87 16.291 -2.440 10.363 1.00 0.00 O ATOM 1323 CB GLN A 87 15.619 0.280 8.777 1.00 0.00 C ATOM 1324 CG GLN A 87 15.715 0.849 10.165 1.00 0.00 C ATOM 1325 CD GLN A 87 14.444 0.688 10.998 1.00 0.00 C ATOM 1326 OE1 GLN A 87 14.157 1.515 11.853 1.00 0.00 O ATOM 1327 NE2 GLN A 87 13.674 -0.354 10.762 1.00 0.00 N ATOM 0 H GLN A 87 15.667 -0.800 6.614 1.00 0.00 H new ATOM 0 HA GLN A 87 17.458 -0.827 8.842 1.00 0.00 H new ATOM 0 HB2 GLN A 87 15.940 1.044 8.069 1.00 0.00 H new ATOM 0 HB3 GLN A 87 14.571 0.068 8.564 1.00 0.00 H new ATOM 0 HG2 GLN A 87 16.541 0.366 10.687 1.00 0.00 H new ATOM 0 HG3 GLN A 87 15.958 1.909 10.095 1.00 0.00 H new ATOM 0 HE21 GLN A 87 13.936 -1.029 10.044 1.00 0.00 H new ATOM 0 HE22 GLN A 87 12.816 -0.486 11.298 1.00 0.00 H new ATOM 1336 N LEU A 88 14.806 -2.748 8.702 1.00 0.00 N ATOM 1337 CA LEU A 88 14.113 -3.881 9.226 1.00 0.00 C ATOM 1338 C LEU A 88 15.100 -5.011 9.385 1.00 0.00 C ATOM 1339 O LEU A 88 15.642 -5.236 10.470 1.00 0.00 O ATOM 1340 CB LEU A 88 12.977 -4.313 8.245 1.00 0.00 C ATOM 1341 CG LEU A 88 11.853 -3.316 7.989 1.00 0.00 C ATOM 1342 CD1 LEU A 88 10.733 -3.979 7.219 1.00 0.00 C ATOM 1343 CD2 LEU A 88 11.335 -2.683 9.274 1.00 0.00 C ATOM 0 H LEU A 88 14.418 -2.437 7.811 1.00 0.00 H new ATOM 0 HA LEU A 88 13.667 -3.630 10.188 1.00 0.00 H new ATOM 0 HB2 LEU A 88 13.435 -4.557 7.287 1.00 0.00 H new ATOM 0 HB3 LEU A 88 12.532 -5.231 8.629 1.00 0.00 H new ATOM 0 HG LEU A 88 12.264 -2.505 7.387 1.00 0.00 H new ATOM 0 HD11 LEU A 88 9.936 -3.257 7.042 1.00 0.00 H new ATOM 0 HD12 LEU A 88 11.113 -4.341 6.264 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.342 -4.817 7.795 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.536 -1.981 9.037 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.951 -3.461 9.934 1.00 0.00 H new ATOM 0 HD23 LEU A 88 12.147 -2.154 9.772 1.00 0.00 H new ATOM 1355 N GLN A 89 15.337 -5.704 8.310 1.00 0.00 N ATOM 1356 CA GLN A 89 16.232 -6.807 8.244 1.00 0.00 C ATOM 1357 C GLN A 89 17.560 -6.352 7.683 1.00 0.00 C ATOM 1358 O GLN A 89 17.602 -5.585 6.710 1.00 0.00 O ATOM 1359 CB GLN A 89 15.658 -7.841 7.309 1.00 0.00 C ATOM 1360 CG GLN A 89 14.977 -7.273 6.085 1.00 0.00 C ATOM 1361 CD GLN A 89 15.040 -8.234 4.943 1.00 0.00 C ATOM 1362 OE1 GLN A 89 14.178 -9.086 4.746 1.00 0.00 O ATOM 1363 NE2 GLN A 89 16.083 -8.090 4.178 1.00 0.00 N ATOM 0 H GLN A 89 14.887 -5.501 7.417 1.00 0.00 H new ATOM 0 HA GLN A 89 16.371 -7.220 9.243 1.00 0.00 H new ATOM 0 HB2 GLN A 89 16.460 -8.506 6.987 1.00 0.00 H new ATOM 0 HB3 GLN A 89 14.940 -8.450 7.858 1.00 0.00 H new ATOM 0 HG2 GLN A 89 13.936 -7.045 6.316 1.00 0.00 H new ATOM 0 HG3 GLN A 89 15.454 -6.334 5.802 1.00 0.00 H new ATOM 0 HE21 GLN A 89 16.771 -7.366 4.385 1.00 0.00 H new ATOM 0 HE22 GLN A 89 16.212 -8.701 3.372 1.00 0.00 H new ATOM 1372 N GLU A 90 18.635 -6.899 8.197 1.00 0.00 N ATOM 1373 CA GLU A 90 19.957 -6.520 7.771 1.00 0.00 C ATOM 1374 C GLU A 90 20.426 -7.431 6.639 1.00 0.00 C ATOM 1375 O GLU A 90 21.563 -7.341 6.174 1.00 0.00 O ATOM 1376 CB GLU A 90 20.931 -6.432 8.963 1.00 0.00 C ATOM 1377 CG GLU A 90 21.056 -7.676 9.833 1.00 0.00 C ATOM 1378 CD GLU A 90 21.908 -8.764 9.229 1.00 0.00 C ATOM 1379 OE1 GLU A 90 23.134 -8.739 9.414 1.00 0.00 O ATOM 1380 OE2 GLU A 90 21.374 -9.677 8.582 1.00 0.00 O ATOM 0 H GLU A 90 18.617 -7.618 8.921 1.00 0.00 H new ATOM 0 HA GLU A 90 19.931 -5.511 7.359 1.00 0.00 H new ATOM 0 HB2 GLU A 90 21.920 -6.185 8.578 1.00 0.00 H new ATOM 0 HB3 GLU A 90 20.619 -5.602 9.597 1.00 0.00 H new ATOM 0 HG2 GLU A 90 21.478 -7.392 10.797 1.00 0.00 H new ATOM 0 HG3 GLU A 90 20.060 -8.074 10.026 1.00 0.00 H new ATOM 1387 N GLN A 91 19.497 -8.274 6.164 1.00 0.00 N ATOM 1388 CA GLN A 91 19.738 -9.194 5.069 1.00 0.00 C ATOM 1389 C GLN A 91 19.740 -8.419 3.768 1.00 0.00 C ATOM 1390 O GLN A 91 20.102 -8.941 2.720 1.00 0.00 O ATOM 1391 CB GLN A 91 18.658 -10.291 4.999 1.00 0.00 C ATOM 1392 CG GLN A 91 18.694 -11.371 6.084 1.00 0.00 C ATOM 1393 CD GLN A 91 18.457 -10.872 7.496 1.00 0.00 C ATOM 1394 OE1 GLN A 91 17.773 -9.883 7.719 1.00 0.00 O ATOM 1395 NE2 GLN A 91 18.995 -11.571 8.457 1.00 0.00 N ATOM 0 H GLN A 91 18.551 -8.328 6.541 1.00 0.00 H new ATOM 0 HA GLN A 91 20.701 -9.677 5.235 1.00 0.00 H new ATOM 0 HB2 GLN A 91 17.682 -9.808 5.034 1.00 0.00 H new ATOM 0 HB3 GLN A 91 18.736 -10.782 4.029 1.00 0.00 H new ATOM 0 HG2 GLN A 91 17.942 -12.124 5.850 1.00 0.00 H new ATOM 0 HG3 GLN A 91 19.664 -11.868 6.049 1.00 0.00 H new ATOM 0 HE21 GLN A 91 19.560 -12.391 8.236 1.00 0.00 H new ATOM 0 HE22 GLN A 91 18.850 -11.298 9.429 1.00 0.00 H new ATOM 1404 N GLY A 92 19.363 -7.146 3.848 1.00 0.00 N ATOM 1405 CA GLY A 92 19.330 -6.321 2.678 1.00 0.00 C ATOM 1406 C GLY A 92 18.107 -6.518 1.819 1.00 0.00 C ATOM 1407 O GLY A 92 18.241 -7.013 0.713 1.00 0.00 O ATOM 0 H GLY A 92 19.081 -6.680 4.710 1.00 0.00 H new ATOM 0 HA2 GLY A 92 19.382 -5.276 2.982 1.00 0.00 H new ATOM 0 HA3 GLY A 92 20.218 -6.523 2.079 1.00 0.00 H new ATOM 1411 N MET A 93 16.912 -6.103 2.323 1.00 0.00 N ATOM 1412 CA MET A 93 15.628 -6.102 1.583 1.00 0.00 C ATOM 1413 C MET A 93 15.389 -7.344 0.714 1.00 0.00 C ATOM 1414 O MET A 93 15.689 -7.360 -0.486 1.00 0.00 O ATOM 1415 CB MET A 93 15.313 -4.769 0.898 1.00 0.00 C ATOM 1416 CG MET A 93 16.381 -4.319 -0.103 1.00 0.00 C ATOM 1417 SD MET A 93 16.040 -2.745 -0.915 1.00 0.00 S ATOM 1418 CE MET A 93 14.627 -3.191 -1.920 1.00 0.00 C ATOM 0 H MET A 93 16.818 -5.753 3.276 1.00 0.00 H new ATOM 0 HA MET A 93 14.867 -6.193 2.358 1.00 0.00 H new ATOM 0 HB2 MET A 93 14.357 -4.854 0.381 1.00 0.00 H new ATOM 0 HB3 MET A 93 15.196 -3.999 1.660 1.00 0.00 H new ATOM 0 HG2 MET A 93 17.337 -4.245 0.416 1.00 0.00 H new ATOM 0 HG3 MET A 93 16.491 -5.089 -0.866 1.00 0.00 H new ATOM 0 HE1 MET A 93 14.534 -2.489 -2.748 1.00 0.00 H new ATOM 0 HE2 MET A 93 14.763 -4.199 -2.312 1.00 0.00 H new ATOM 0 HE3 MET A 93 13.723 -3.157 -1.312 1.00 0.00 H new ATOM 1428 N GLU A 94 14.832 -8.383 1.327 1.00 0.00 N ATOM 1429 CA GLU A 94 14.701 -9.654 0.651 1.00 0.00 C ATOM 1430 C GLU A 94 13.473 -10.485 1.093 1.00 0.00 C ATOM 1431 O GLU A 94 13.326 -11.614 0.627 1.00 0.00 O ATOM 1432 CB GLU A 94 15.995 -10.486 0.784 1.00 0.00 C ATOM 1433 CG GLU A 94 16.302 -11.023 2.172 1.00 0.00 C ATOM 1434 CD GLU A 94 17.307 -12.150 2.108 1.00 0.00 C ATOM 1435 OE1 GLU A 94 18.525 -11.902 2.029 1.00 0.00 O ATOM 1436 OE2 GLU A 94 16.890 -13.320 2.097 1.00 0.00 O ATOM 0 H GLU A 94 14.470 -8.365 2.280 1.00 0.00 H new ATOM 0 HA GLU A 94 14.532 -9.408 -0.398 1.00 0.00 H new ATOM 0 HB2 GLU A 94 15.934 -11.329 0.095 1.00 0.00 H new ATOM 0 HB3 GLU A 94 16.834 -9.870 0.460 1.00 0.00 H new ATOM 0 HG2 GLU A 94 16.690 -10.220 2.798 1.00 0.00 H new ATOM 0 HG3 GLU A 94 15.383 -11.377 2.640 1.00 0.00 H new ATOM 1443 N THR A 95 12.564 -9.902 1.903 1.00 0.00 N ATOM 1444 CA THR A 95 11.361 -10.631 2.397 1.00 0.00 C ATOM 1445 C THR A 95 10.617 -9.920 3.551 1.00 0.00 C ATOM 1446 O THR A 95 9.403 -9.697 3.484 1.00 0.00 O ATOM 1447 CB THR A 95 11.614 -12.131 2.806 1.00 0.00 C ATOM 1448 OG1 THR A 95 10.402 -12.739 3.287 1.00 0.00 O ATOM 1449 CG2 THR A 95 12.705 -12.293 3.869 1.00 0.00 C ATOM 0 H THR A 95 12.633 -8.938 2.230 1.00 0.00 H new ATOM 0 HA THR A 95 10.724 -10.626 1.513 1.00 0.00 H new ATOM 0 HB THR A 95 11.957 -12.631 1.900 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.083 -13.395 2.632 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.829 -13.350 4.105 1.00 0.00 H new ATOM 0 HG22 THR A 95 13.645 -11.893 3.489 1.00 0.00 H new ATOM 0 HG23 THR A 95 12.418 -11.751 4.770 1.00 0.00 H new ATOM 1457 N SER A 96 11.329 -9.543 4.598 1.00 0.00 N ATOM 1458 CA SER A 96 10.695 -9.080 5.825 1.00 0.00 C ATOM 1459 C SER A 96 10.027 -7.727 5.644 1.00 0.00 C ATOM 1460 O SER A 96 9.111 -7.360 6.386 1.00 0.00 O ATOM 1461 CB SER A 96 11.746 -9.058 6.938 1.00 0.00 C ATOM 1462 OG SER A 96 11.196 -8.771 8.216 1.00 0.00 O ATOM 0 H SER A 96 12.349 -9.548 4.626 1.00 0.00 H new ATOM 0 HA SER A 96 9.895 -9.768 6.100 1.00 0.00 H new ATOM 0 HB2 SER A 96 12.249 -10.024 6.974 1.00 0.00 H new ATOM 0 HB3 SER A 96 12.504 -8.312 6.699 1.00 0.00 H new ATOM 0 HG SER A 96 11.910 -8.771 8.887 1.00 0.00 H new ATOM 1468 N GLU A 97 10.443 -7.032 4.629 1.00 0.00 N ATOM 1469 CA GLU A 97 9.949 -5.721 4.327 1.00 0.00 C ATOM 1470 C GLU A 97 8.712 -5.806 3.436 1.00 0.00 C ATOM 1471 O GLU A 97 7.728 -5.120 3.663 1.00 0.00 O ATOM 1472 CB GLU A 97 11.079 -4.876 3.711 1.00 0.00 C ATOM 1473 CG GLU A 97 11.557 -5.269 2.306 1.00 0.00 C ATOM 1474 CD GLU A 97 12.019 -6.688 2.243 1.00 0.00 C ATOM 1475 OE1 GLU A 97 13.047 -7.022 2.833 1.00 0.00 O ATOM 1476 OE2 GLU A 97 11.308 -7.501 1.679 1.00 0.00 O ATOM 0 H GLU A 97 11.150 -7.366 3.974 1.00 0.00 H new ATOM 0 HA GLU A 97 9.631 -5.222 5.242 1.00 0.00 H new ATOM 0 HB2 GLU A 97 10.746 -3.838 3.678 1.00 0.00 H new ATOM 0 HB3 GLU A 97 11.936 -4.915 4.383 1.00 0.00 H new ATOM 0 HG2 GLU A 97 10.745 -5.121 1.594 1.00 0.00 H new ATOM 0 HG3 GLU A 97 12.371 -4.610 2.004 1.00 0.00 H new ATOM 1483 N MET A 98 8.773 -6.659 2.447 1.00 0.00 N ATOM 1484 CA MET A 98 7.668 -6.892 1.529 1.00 0.00 C ATOM 1485 C MET A 98 6.486 -7.540 2.261 1.00 0.00 C ATOM 1486 O MET A 98 5.369 -7.083 2.158 1.00 0.00 O ATOM 1487 CB MET A 98 8.136 -7.709 0.303 1.00 0.00 C ATOM 1488 CG MET A 98 8.681 -9.080 0.625 1.00 0.00 C ATOM 1489 SD MET A 98 9.423 -9.935 -0.771 1.00 0.00 S ATOM 1490 CE MET A 98 10.832 -8.900 -1.143 1.00 0.00 C ATOM 0 H MET A 98 9.599 -7.223 2.246 1.00 0.00 H new ATOM 0 HA MET A 98 7.315 -5.934 1.148 1.00 0.00 H new ATOM 0 HB2 MET A 98 7.297 -7.819 -0.384 1.00 0.00 H new ATOM 0 HB3 MET A 98 8.905 -7.142 -0.222 1.00 0.00 H new ATOM 0 HG2 MET A 98 9.427 -8.984 1.414 1.00 0.00 H new ATOM 0 HG3 MET A 98 7.873 -9.694 1.023 1.00 0.00 H new ATOM 0 HE1 MET A 98 10.814 -8.626 -2.198 1.00 0.00 H new ATOM 0 HE2 MET A 98 10.792 -7.998 -0.533 1.00 0.00 H new ATOM 0 HE3 MET A 98 11.751 -9.444 -0.926 1.00 0.00 H new ATOM 1500 N LEU A 99 6.747 -8.562 3.077 1.00 0.00 N ATOM 1501 CA LEU A 99 5.683 -9.201 3.867 1.00 0.00 C ATOM 1502 C LEU A 99 5.134 -8.233 4.914 1.00 0.00 C ATOM 1503 O LEU A 99 3.969 -8.356 5.367 1.00 0.00 O ATOM 1504 CB LEU A 99 6.192 -10.482 4.541 1.00 0.00 C ATOM 1505 CG LEU A 99 6.241 -11.776 3.698 1.00 0.00 C ATOM 1506 CD1 LEU A 99 6.960 -11.600 2.368 1.00 0.00 C ATOM 1507 CD2 LEU A 99 6.907 -12.871 4.502 1.00 0.00 C ATOM 0 H LEU A 99 7.674 -8.965 3.211 1.00 0.00 H new ATOM 0 HA LEU A 99 4.876 -9.471 3.186 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.198 -10.287 4.912 1.00 0.00 H new ATOM 0 HB3 LEU A 99 5.564 -10.674 5.411 1.00 0.00 H new ATOM 0 HG LEU A 99 5.212 -12.044 3.461 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.959 -12.546 1.826 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.449 -10.841 1.776 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.988 -11.287 2.549 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.943 -13.786 3.911 1.00 0.00 H new ATOM 0 HD22 LEU A 99 7.921 -12.566 4.762 1.00 0.00 H new ATOM 0 HD23 LEU A 99 6.337 -13.051 5.414 1.00 0.00 H new ATOM 1519 N ALA A 100 5.995 -7.292 5.312 1.00 0.00 N ATOM 1520 CA ALA A 100 5.620 -6.228 6.225 1.00 0.00 C ATOM 1521 C ALA A 100 4.429 -5.479 5.702 1.00 0.00 C ATOM 1522 O ALA A 100 3.532 -5.162 6.472 1.00 0.00 O ATOM 1523 CB ALA A 100 6.757 -5.258 6.500 1.00 0.00 C ATOM 0 H ALA A 100 6.967 -7.253 5.007 1.00 0.00 H new ATOM 0 HA ALA A 100 5.367 -6.708 7.170 1.00 0.00 H new ATOM 0 HB1 ALA A 100 6.417 -4.485 7.189 1.00 0.00 H new ATOM 0 HB2 ALA A 100 7.595 -5.796 6.943 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.076 -4.797 5.565 1.00 0.00 H new ATOM 1529 N LEU A 101 4.400 -5.276 4.379 1.00 0.00 N ATOM 1530 CA LEU A 101 3.318 -4.590 3.698 1.00 0.00 C ATOM 1531 C LEU A 101 1.993 -5.111 4.115 1.00 0.00 C ATOM 1532 O LEU A 101 1.110 -4.332 4.367 1.00 0.00 O ATOM 1533 CB LEU A 101 3.385 -4.725 2.199 1.00 0.00 C ATOM 1534 CG LEU A 101 4.296 -3.753 1.414 1.00 0.00 C ATOM 1535 CD1 LEU A 101 3.633 -2.394 1.314 1.00 0.00 C ATOM 1536 CD2 LEU A 101 5.648 -3.574 2.077 1.00 0.00 C ATOM 0 H LEU A 101 5.141 -5.591 3.752 1.00 0.00 H new ATOM 0 HA LEU A 101 3.436 -3.543 3.978 1.00 0.00 H new ATOM 0 HB2 LEU A 101 3.708 -5.741 1.971 1.00 0.00 H new ATOM 0 HB3 LEU A 101 2.372 -4.618 1.810 1.00 0.00 H new ATOM 0 HG LEU A 101 4.448 -4.187 0.426 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.280 -1.714 0.760 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.679 -2.492 0.795 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.462 -1.998 2.315 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.253 -2.883 1.490 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.511 -3.173 3.081 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.154 -4.538 2.138 1.00 0.00 H new ATOM 1548 N LEU A 102 1.846 -6.412 4.242 1.00 0.00 N ATOM 1549 CA LEU A 102 0.598 -7.010 4.586 1.00 0.00 C ATOM 1550 C LEU A 102 0.129 -6.621 5.979 1.00 0.00 C ATOM 1551 O LEU A 102 -1.001 -6.159 6.141 1.00 0.00 O ATOM 1552 CB LEU A 102 0.658 -8.510 4.499 1.00 0.00 C ATOM 1553 CG LEU A 102 -0.668 -9.152 4.817 1.00 0.00 C ATOM 1554 CD1 LEU A 102 -1.651 -8.922 3.675 1.00 0.00 C ATOM 1555 CD2 LEU A 102 -0.529 -10.617 5.159 1.00 0.00 C ATOM 0 H LEU A 102 2.604 -7.081 4.106 1.00 0.00 H new ATOM 0 HA LEU A 102 -0.118 -6.630 3.858 1.00 0.00 H new ATOM 0 HB2 LEU A 102 0.970 -8.802 3.496 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.415 -8.882 5.189 1.00 0.00 H new ATOM 0 HG LEU A 102 -1.066 -8.673 5.711 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -2.605 -9.390 3.916 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.798 -7.852 3.532 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -1.254 -9.359 2.759 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -1.512 -11.034 5.380 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.092 -11.148 4.314 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.117 -10.728 6.030 1.00 0.00 H new ATOM 1567 N HIS A 103 0.977 -6.830 6.985 1.00 0.00 N ATOM 1568 CA HIS A 103 0.558 -6.515 8.346 1.00 0.00 C ATOM 1569 C HIS A 103 0.329 -5.015 8.510 1.00 0.00 C ATOM 1570 O HIS A 103 -0.521 -4.601 9.277 1.00 0.00 O ATOM 1571 CB HIS A 103 1.483 -7.109 9.443 1.00 0.00 C ATOM 1572 CG HIS A 103 2.928 -6.689 9.408 1.00 0.00 C ATOM 1573 ND1 HIS A 103 3.308 -5.391 9.647 1.00 0.00 N ATOM 1574 CD2 HIS A 103 4.034 -7.432 9.156 1.00 0.00 C ATOM 1575 CE1 HIS A 103 4.622 -5.368 9.527 1.00 0.00 C ATOM 1576 NE2 HIS A 103 5.105 -6.578 9.240 1.00 0.00 N ATOM 0 H HIS A 103 1.922 -7.202 6.890 1.00 0.00 H new ATOM 0 HA HIS A 103 -0.397 -7.016 8.502 1.00 0.00 H new ATOM 0 HB2 HIS A 103 1.074 -6.839 10.416 1.00 0.00 H new ATOM 0 HB3 HIS A 103 1.443 -8.196 9.371 1.00 0.00 H new ATOM 0 HD2 HIS A 103 4.066 -8.488 8.933 1.00 0.00 H new ATOM 0 HE1 HIS A 103 5.229 -4.483 9.646 1.00 0.00 H new ATOM 0 HE2 HIS A 103 6.086 -6.823 9.108 1.00 0.00 H new ATOM 1584 N ILE A 104 1.044 -4.226 7.720 1.00 0.00 N ATOM 1585 CA ILE A 104 0.844 -2.768 7.780 1.00 0.00 C ATOM 1586 C ILE A 104 -0.410 -2.371 7.013 1.00 0.00 C ATOM 1587 O ILE A 104 -1.204 -1.566 7.479 1.00 0.00 O ATOM 1588 CB ILE A 104 2.118 -1.896 7.378 1.00 0.00 C ATOM 1589 CG1 ILE A 104 1.842 -0.372 7.285 1.00 0.00 C ATOM 1590 CG2 ILE A 104 2.764 -2.351 6.095 1.00 0.00 C ATOM 1591 CD1 ILE A 104 1.274 0.090 5.933 1.00 0.00 C ATOM 0 H ILE A 104 1.744 -4.545 7.051 1.00 0.00 H new ATOM 0 HA ILE A 104 0.698 -2.527 8.833 1.00 0.00 H new ATOM 0 HB ILE A 104 2.806 -2.064 8.206 1.00 0.00 H new ATOM 0 HG12 ILE A 104 1.143 -0.093 8.073 1.00 0.00 H new ATOM 0 HG13 ILE A 104 2.771 0.165 7.478 1.00 0.00 H new ATOM 0 HG21 ILE A 104 3.624 -1.718 5.876 1.00 0.00 H new ATOM 0 HG22 ILE A 104 3.092 -3.385 6.199 1.00 0.00 H new ATOM 0 HG23 ILE A 104 2.044 -2.279 5.280 1.00 0.00 H new ATOM 0 HD11 ILE A 104 1.111 1.168 5.956 1.00 0.00 H new ATOM 0 HD12 ILE A 104 1.980 -0.154 5.139 1.00 0.00 H new ATOM 0 HD13 ILE A 104 0.327 -0.416 5.744 1.00 0.00 H new ATOM 1603 N THR A 105 -0.625 -3.021 5.899 1.00 0.00 N ATOM 1604 CA THR A 105 -1.743 -2.676 5.049 1.00 0.00 C ATOM 1605 C THR A 105 -3.058 -3.148 5.659 1.00 0.00 C ATOM 1606 O THR A 105 -4.004 -2.378 5.744 1.00 0.00 O ATOM 1607 CB THR A 105 -1.550 -3.144 3.562 1.00 0.00 C ATOM 1608 OG1 THR A 105 -2.502 -2.525 2.708 1.00 0.00 O ATOM 1609 CG2 THR A 105 -1.695 -4.638 3.408 1.00 0.00 C ATOM 0 H THR A 105 -0.046 -3.788 5.557 1.00 0.00 H new ATOM 0 HA THR A 105 -1.786 -1.588 4.996 1.00 0.00 H new ATOM 0 HB THR A 105 -0.537 -2.852 3.285 1.00 0.00 H new ATOM 0 HG1 THR A 105 -2.676 -1.612 3.020 1.00 0.00 H new ATOM 0 HG21 THR A 105 -1.553 -4.911 2.362 1.00 0.00 H new ATOM 0 HG22 THR A 105 -0.946 -5.141 4.020 1.00 0.00 H new ATOM 0 HG23 THR A 105 -2.691 -4.942 3.730 1.00 0.00 H new ATOM 1617 N ARG A 106 -3.098 -4.373 6.174 1.00 0.00 N ATOM 1618 CA ARG A 106 -4.321 -4.858 6.766 1.00 0.00 C ATOM 1619 C ARG A 106 -4.640 -4.092 8.016 1.00 0.00 C ATOM 1620 O ARG A 106 -5.724 -3.551 8.129 1.00 0.00 O ATOM 1621 CB ARG A 106 -4.346 -6.369 7.005 1.00 0.00 C ATOM 1622 CG ARG A 106 -4.509 -7.190 5.734 1.00 0.00 C ATOM 1623 CD ARG A 106 -4.666 -8.676 6.039 1.00 0.00 C ATOM 1624 NE ARG A 106 -4.830 -9.480 4.820 1.00 0.00 N ATOM 1625 CZ ARG A 106 -4.381 -10.736 4.652 1.00 0.00 C ATOM 1626 NH1 ARG A 106 -3.904 -11.424 5.683 1.00 0.00 N ATOM 1627 NH2 ARG A 106 -4.473 -11.317 3.463 1.00 0.00 N ATOM 0 H ARG A 106 -2.315 -5.027 6.190 1.00 0.00 H new ATOM 0 HA ARG A 106 -5.106 -4.679 6.031 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -3.421 -6.664 7.501 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -5.163 -6.606 7.687 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -5.381 -6.838 5.182 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -3.642 -7.040 5.090 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -3.792 -9.026 6.588 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -5.530 -8.823 6.687 1.00 0.00 H new ATOM 0 HE ARG A 106 -5.324 -9.050 4.038 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -3.877 -11.000 6.610 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -3.565 -12.376 5.548 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -4.884 -10.811 2.678 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -4.133 -12.270 3.333 1.00 0.00 H new ATOM 1641 N ASP A 107 -3.656 -3.924 8.880 1.00 0.00 N ATOM 1642 CA ASP A 107 -3.856 -3.234 10.150 1.00 0.00 C ATOM 1643 C ASP A 107 -4.348 -1.808 9.920 1.00 0.00 C ATOM 1644 O ASP A 107 -5.339 -1.362 10.522 1.00 0.00 O ATOM 1645 CB ASP A 107 -2.561 -3.222 10.960 1.00 0.00 C ATOM 1646 CG ASP A 107 -2.727 -2.561 12.312 1.00 0.00 C ATOM 1647 OD1 ASP A 107 -2.597 -1.330 12.413 1.00 0.00 O ATOM 1648 OD2 ASP A 107 -2.993 -3.270 13.313 1.00 0.00 O ATOM 0 H ASP A 107 -2.704 -4.256 8.728 1.00 0.00 H new ATOM 0 HA ASP A 107 -4.617 -3.773 10.714 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -2.215 -4.246 11.100 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -1.789 -2.699 10.396 1.00 0.00 H new ATOM 1653 N ALA A 108 -3.703 -1.123 8.994 1.00 0.00 N ATOM 1654 CA ALA A 108 -4.045 0.239 8.680 1.00 0.00 C ATOM 1655 C ALA A 108 -5.417 0.327 8.025 1.00 0.00 C ATOM 1656 O ALA A 108 -6.275 1.025 8.496 1.00 0.00 O ATOM 1657 CB ALA A 108 -2.980 0.850 7.786 1.00 0.00 C ATOM 0 H ALA A 108 -2.931 -1.499 8.444 1.00 0.00 H new ATOM 0 HA ALA A 108 -4.089 0.805 9.611 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -3.248 1.881 7.554 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -2.019 0.832 8.300 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -2.908 0.277 6.862 1.00 0.00 H new ATOM 1663 N TYR A 109 -5.651 -0.482 7.034 1.00 0.00 N ATOM 1664 CA TYR A 109 -6.906 -0.351 6.255 1.00 0.00 C ATOM 1665 C TYR A 109 -8.139 -0.664 7.106 1.00 0.00 C ATOM 1666 O TYR A 109 -9.226 -0.105 6.931 1.00 0.00 O ATOM 1667 CB TYR A 109 -6.865 -1.190 4.967 1.00 0.00 C ATOM 1668 CG TYR A 109 -5.846 -0.719 3.930 1.00 0.00 C ATOM 1669 CD1 TYR A 109 -4.795 0.129 4.273 1.00 0.00 C ATOM 1670 CD2 TYR A 109 -5.907 -1.168 2.621 1.00 0.00 C ATOM 1671 CE1 TYR A 109 -3.847 0.507 3.358 1.00 0.00 C ATOM 1672 CE2 TYR A 109 -4.965 -0.781 1.690 1.00 0.00 C ATOM 1673 CZ TYR A 109 -3.934 0.053 2.070 1.00 0.00 C ATOM 1674 OH TYR A 109 -2.967 0.415 1.165 1.00 0.00 O ATOM 0 H TYR A 109 -5.026 -1.229 6.730 1.00 0.00 H new ATOM 0 HA TYR A 109 -6.990 0.693 5.952 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -6.644 -2.224 5.230 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -7.856 -1.182 4.513 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -4.726 0.498 5.286 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -6.705 -1.832 2.324 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -3.037 1.158 3.651 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -5.034 -1.129 0.670 1.00 0.00 H new ATOM 0 HH TYR A 109 -3.345 1.044 0.516 1.00 0.00 H new ATOM 1684 N ARG A 110 -7.898 -1.526 8.047 1.00 0.00 N ATOM 1685 CA ARG A 110 -9.021 -1.853 8.924 1.00 0.00 C ATOM 1686 C ARG A 110 -9.253 -0.721 9.956 1.00 0.00 C ATOM 1687 O ARG A 110 -10.188 -0.767 10.735 1.00 0.00 O ATOM 1688 CB ARG A 110 -8.893 -3.201 9.639 1.00 0.00 C ATOM 1689 CG ARG A 110 -8.357 -4.366 8.814 1.00 0.00 C ATOM 1690 CD ARG A 110 -8.828 -4.444 7.351 1.00 0.00 C ATOM 1691 NE ARG A 110 -10.271 -4.329 7.125 1.00 0.00 N ATOM 1692 CZ ARG A 110 -10.907 -4.845 6.064 1.00 0.00 C ATOM 1693 NH1 ARG A 110 -10.386 -5.878 5.407 1.00 0.00 N ATOM 1694 NH2 ARG A 110 -12.084 -4.361 5.694 1.00 0.00 N ATOM 0 H ARG A 110 -7.011 -1.994 8.234 1.00 0.00 H new ATOM 0 HA ARG A 110 -9.886 -1.944 8.267 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -8.241 -3.068 10.503 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -9.876 -3.478 10.021 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -7.268 -4.316 8.820 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -8.636 -5.294 9.312 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -8.330 -3.654 6.789 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -8.491 -5.393 6.934 1.00 0.00 H new ATOM 0 HE ARG A 110 -10.825 -3.825 7.817 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -9.499 -6.280 5.710 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -10.873 -6.268 4.600 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -12.507 -3.594 6.217 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -12.566 -4.755 4.886 1.00 0.00 H new ATOM 1708 N SER A 111 -8.372 0.270 9.966 1.00 0.00 N ATOM 1709 CA SER A 111 -8.483 1.410 10.868 1.00 0.00 C ATOM 1710 C SER A 111 -9.094 2.699 10.234 1.00 0.00 C ATOM 1711 O SER A 111 -9.675 3.507 10.962 1.00 0.00 O ATOM 1712 CB SER A 111 -7.107 1.719 11.473 1.00 0.00 C ATOM 1713 OG SER A 111 -6.536 0.561 12.087 1.00 0.00 O ATOM 0 H SER A 111 -7.560 0.307 9.350 1.00 0.00 H new ATOM 0 HA SER A 111 -9.193 1.110 11.639 1.00 0.00 H new ATOM 0 HB2 SER A 111 -6.439 2.086 10.694 1.00 0.00 H new ATOM 0 HB3 SER A 111 -7.203 2.515 12.212 1.00 0.00 H new ATOM 0 HG SER A 111 -6.155 -0.021 11.397 1.00 0.00 H new ATOM 1719 N TRP A 112 -9.007 2.901 8.897 1.00 0.00 N ATOM 1720 CA TRP A 112 -9.484 4.171 8.267 1.00 0.00 C ATOM 1721 C TRP A 112 -9.933 3.966 6.834 1.00 0.00 C ATOM 1722 O TRP A 112 -10.410 4.890 6.184 1.00 0.00 O ATOM 1723 CB TRP A 112 -8.357 5.244 8.262 1.00 0.00 C ATOM 1724 CG TRP A 112 -7.008 4.658 8.531 1.00 0.00 C ATOM 1725 CD1 TRP A 112 -6.319 3.813 7.726 1.00 0.00 C ATOM 1726 CD2 TRP A 112 -6.198 4.855 9.691 1.00 0.00 C ATOM 1727 NE1 TRP A 112 -5.160 3.439 8.327 1.00 0.00 N ATOM 1728 CE2 TRP A 112 -5.052 4.067 9.527 1.00 0.00 C ATOM 1729 CE3 TRP A 112 -6.339 5.609 10.856 1.00 0.00 C ATOM 1730 CZ2 TRP A 112 -4.054 4.000 10.470 1.00 0.00 C ATOM 1731 CZ3 TRP A 112 -5.340 5.547 11.801 1.00 0.00 C ATOM 1732 CH2 TRP A 112 -4.207 4.745 11.605 1.00 0.00 C ATOM 0 H TRP A 112 -8.621 2.222 8.241 1.00 0.00 H new ATOM 0 HA TRP A 112 -10.331 4.505 8.865 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -8.344 5.749 7.296 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -8.577 6.001 9.014 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -6.644 3.485 6.750 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -4.477 2.788 7.938 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -7.211 6.227 11.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -3.182 3.382 10.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -5.431 6.126 12.708 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -3.441 4.716 12.365 1.00 0.00 H new ATOM 1743 N THR A 113 -9.847 2.749 6.373 1.00 0.00 N ATOM 1744 CA THR A 113 -10.038 2.472 4.972 1.00 0.00 C ATOM 1745 C THR A 113 -11.376 1.776 4.770 1.00 0.00 C ATOM 1746 O THR A 113 -12.252 2.279 4.063 1.00 0.00 O ATOM 1747 CB THR A 113 -8.857 1.631 4.482 1.00 0.00 C ATOM 1748 OG1 THR A 113 -7.638 2.317 4.828 1.00 0.00 O ATOM 1749 CG2 THR A 113 -8.886 1.412 2.991 1.00 0.00 C ATOM 0 H THR A 113 -9.646 1.930 6.946 1.00 0.00 H new ATOM 0 HA THR A 113 -10.066 3.391 4.386 1.00 0.00 H new ATOM 0 HB THR A 113 -8.918 0.653 4.959 1.00 0.00 H new ATOM 0 HG1 THR A 113 -7.825 3.270 4.962 1.00 0.00 H new ATOM 0 HG21 THR A 113 -8.027 0.810 2.695 1.00 0.00 H new ATOM 0 HG22 THR A 113 -9.805 0.893 2.717 1.00 0.00 H new ATOM 0 HG23 THR A 113 -8.847 2.375 2.481 1.00 0.00 H new ATOM 1757 N ASN A 114 -11.566 0.655 5.433 1.00 0.00 N ATOM 1758 CA ASN A 114 -12.835 -0.050 5.373 1.00 0.00 C ATOM 1759 C ASN A 114 -13.047 -0.806 6.656 1.00 0.00 C ATOM 1760 O ASN A 114 -13.550 -0.199 7.615 1.00 0.00 O ATOM 1761 CB ASN A 114 -12.931 -0.989 4.168 1.00 0.00 C ATOM 1762 CG ASN A 114 -14.064 -0.607 3.230 1.00 0.00 C ATOM 1763 OD1 ASN A 114 -14.700 -1.466 2.621 1.00 0.00 O ATOM 1764 ND2 ASN A 114 -14.298 0.677 3.064 1.00 0.00 N ATOM 1765 OXT ASN A 114 -12.655 -1.975 6.746 1.00 0.00 O ATOM 0 H ASN A 114 -10.860 0.210 6.020 1.00 0.00 H new ATOM 0 HA ASN A 114 -13.623 0.692 5.247 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -11.988 -0.973 3.621 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -13.080 -2.011 4.517 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -15.024 0.984 2.416 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -13.754 1.366 3.583 1.00 0.00 H new TER 1772 ASN A 114