USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 663 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 3 THR OG1 : rot 180:sc= -0.0816 USER MOD Set 1.2: A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 173:sc= 0 (180deg=-0.0556) USER MOD Single : A 2 SER OG : rot 12:sc=0.000855 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ -109:sc= 1.17 (180deg=-0.224) USER MOD Single : A 14 MET CE :methyl -122:sc= -7.32! (180deg=-15.6!) USER MOD Single : A 18 LYS NZ :NH3+ 144:sc= 0.966 (180deg=-0.627) USER MOD Single : A 20 ASN : amide:sc= -0.0347 K(o=-0.035,f=-1.3) USER MOD Single : A 21 LYS NZ :NH3+ -118:sc= -0.955 (180deg=-2.02!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -71:sc= 0.626 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -94:sc= 1.25 USER MOD Single : A 37 LYS NZ :NH3+ 166:sc= -0.0917 (180deg=-0.402) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -2:sc= 0.477 USER MOD Single : A 47 MET CE :methyl -169:sc= 0 (180deg=-0.214) USER MOD Single : A 48 MET CE :methyl 147:sc= -1.34 (180deg=-4.12!) USER MOD Single : A 54 TYR OH : rot 180:sc= -0.303 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.071 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -131:sc= -0.0565 (180deg=-1.66!) USER MOD Single : A 68 THR OG1 : rot -170:sc= -1.02 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 150:sc= -0.561 USER MOD Single : A 77 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0339) USER MOD Single : A 80 GLN : amide:sc= -0.0275 X(o=-0.027,f=-0.3) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.328 2.661 -1.987 1.00 4.44 N ATOM 2 CA MET A 1 3.027 1.686 -0.945 1.00 2.20 C ATOM 3 C MET A 1 2.005 0.666 -1.435 1.00 33.31 C ATOM 4 O MET A 1 1.063 0.324 -0.719 1.00 41.05 O ATOM 5 CB MET A 1 2.502 2.391 0.307 1.00 11.20 C ATOM 6 CG MET A 1 2.757 1.619 1.591 1.00 15.03 C ATOM 7 SD MET A 1 1.804 2.254 2.984 1.00 34.01 S ATOM 8 CE MET A 1 0.413 1.125 2.986 1.00 51.25 C ATOM 0 H1 MET A 1 3.932 3.412 -1.596 1.00 4.44 H new ATOM 0 H2 MET A 1 3.824 2.190 -2.770 1.00 4.44 H new ATOM 0 H3 MET A 1 2.442 3.078 -2.339 1.00 4.44 H new ATOM 0 HA MET A 1 3.949 1.160 -0.697 1.00 2.20 H new ATOM 0 HB2 MET A 1 2.969 3.373 0.384 1.00 11.20 H new ATOM 0 HB3 MET A 1 1.430 2.556 0.199 1.00 11.20 H new ATOM 0 HG2 MET A 1 2.509 0.569 1.435 1.00 15.03 H new ATOM 0 HG3 MET A 1 3.819 1.663 1.832 1.00 15.03 H new ATOM 0 HE1 MET A 1 -0.269 1.389 3.794 1.00 51.25 H new ATOM 0 HE2 MET A 1 -0.111 1.192 2.033 1.00 51.25 H new ATOM 0 HE3 MET A 1 0.772 0.106 3.132 1.00 51.25 H new ATOM 18 N SER A 2 2.196 0.183 -2.658 1.00 43.14 N ATOM 19 CA SER A 2 1.288 -0.795 -3.245 1.00 61.31 C ATOM 20 C SER A 2 2.063 -1.872 -3.999 1.00 53.01 C ATOM 21 O SER A 2 3.056 -1.586 -4.669 1.00 12.12 O ATOM 22 CB SER A 2 0.302 -0.105 -4.189 1.00 72.12 C ATOM 23 OG SER A 2 -0.722 0.554 -3.464 1.00 73.43 O ATOM 0 H SER A 2 2.972 0.453 -3.262 1.00 43.14 H new ATOM 0 HA SER A 2 0.733 -1.270 -2.436 1.00 61.31 H new ATOM 0 HB2 SER A 2 0.833 0.616 -4.811 1.00 72.12 H new ATOM 0 HB3 SER A 2 -0.140 -0.841 -4.860 1.00 72.12 H new ATOM 0 HG SER A 2 -0.476 0.596 -2.516 1.00 73.43 H new ATOM 29 N THR A 3 1.601 -3.114 -3.885 1.00 42.42 N ATOM 30 CA THR A 3 2.250 -4.234 -4.554 1.00 33.41 C ATOM 31 C THR A 3 1.653 -4.469 -5.937 1.00 63.20 C ATOM 32 O THR A 3 0.518 -4.078 -6.210 1.00 41.43 O ATOM 33 CB THR A 3 2.127 -5.529 -3.728 1.00 11.31 C ATOM 34 OG1 THR A 3 2.765 -6.611 -4.415 1.00 43.21 O ATOM 35 CG2 THR A 3 0.667 -5.873 -3.475 1.00 51.11 C ATOM 0 H THR A 3 0.780 -3.369 -3.336 1.00 42.42 H new ATOM 0 HA THR A 3 3.304 -3.974 -4.655 1.00 33.41 H new ATOM 0 HB THR A 3 2.618 -5.369 -2.768 1.00 11.31 H new ATOM 0 HG1 THR A 3 2.684 -7.430 -3.883 1.00 43.21 H new ATOM 0 HG21 THR A 3 0.605 -6.791 -2.890 1.00 51.11 H new ATOM 0 HG22 THR A 3 0.192 -5.060 -2.926 1.00 51.11 H new ATOM 0 HG23 THR A 3 0.156 -6.015 -4.427 1.00 51.11 H new ATOM 43 N THR A 4 2.425 -5.112 -6.808 1.00 43.21 N ATOM 44 CA THR A 4 1.973 -5.399 -8.164 1.00 3.54 C ATOM 45 C THR A 4 1.724 -4.113 -8.944 1.00 1.33 C ATOM 46 O THR A 4 0.716 -3.982 -9.638 1.00 62.44 O ATOM 47 CB THR A 4 0.684 -6.241 -8.159 1.00 72.15 C ATOM 48 OG1 THR A 4 0.773 -7.269 -7.166 1.00 44.15 O ATOM 49 CG2 THR A 4 0.442 -6.867 -9.525 1.00 22.45 C ATOM 0 H THR A 4 3.366 -5.444 -6.598 1.00 43.21 H new ATOM 0 HA THR A 4 2.767 -5.967 -8.649 1.00 3.54 H new ATOM 0 HB THR A 4 -0.153 -5.583 -7.925 1.00 72.15 H new ATOM 0 HG1 THR A 4 -0.052 -7.799 -7.169 1.00 44.15 H new ATOM 0 HG21 THR A 4 -0.474 -7.457 -9.498 1.00 22.45 H new ATOM 0 HG22 THR A 4 0.345 -6.081 -10.274 1.00 22.45 H new ATOM 0 HG23 THR A 4 1.282 -7.512 -9.784 1.00 22.45 H new ATOM 57 N ASP A 5 2.648 -3.166 -8.825 1.00 3.10 N ATOM 58 CA ASP A 5 2.529 -1.890 -9.521 1.00 45.00 C ATOM 59 C ASP A 5 3.463 -1.840 -10.726 1.00 41.45 C ATOM 60 O ASP A 5 3.092 -1.348 -11.793 1.00 21.42 O ATOM 61 CB ASP A 5 2.843 -0.734 -8.569 1.00 75.42 C ATOM 62 CG ASP A 5 2.215 0.571 -9.017 1.00 35.20 C ATOM 63 OD1 ASP A 5 1.946 0.715 -10.228 1.00 23.01 O ATOM 64 OD2 ASP A 5 1.992 1.449 -8.157 1.00 20.54 O ATOM 0 H ASP A 5 3.488 -3.258 -8.253 1.00 3.10 H new ATOM 0 HA ASP A 5 1.503 -1.791 -9.874 1.00 45.00 H new ATOM 0 HB2 ASP A 5 2.485 -0.982 -7.570 1.00 75.42 H new ATOM 0 HB3 ASP A 5 3.923 -0.609 -8.498 1.00 75.42 H new ATOM 69 N LYS A 6 4.677 -2.350 -10.550 1.00 1.12 N ATOM 70 CA LYS A 6 5.665 -2.364 -11.622 1.00 41.10 C ATOM 71 C LYS A 6 5.233 -3.297 -12.748 1.00 75.33 C ATOM 72 O LYS A 6 5.544 -3.062 -13.916 1.00 45.10 O ATOM 73 CB LYS A 6 7.029 -2.798 -11.081 1.00 21.31 C ATOM 74 CG LYS A 6 7.901 -1.640 -10.629 1.00 44.25 C ATOM 75 CD LYS A 6 8.668 -1.033 -11.792 1.00 64.14 C ATOM 76 CE LYS A 6 8.878 0.461 -11.603 1.00 3.33 C ATOM 77 NZ LYS A 6 9.991 0.749 -10.656 1.00 42.42 N ATOM 0 H LYS A 6 5.001 -2.760 -9.674 1.00 1.12 H new ATOM 0 HA LYS A 6 5.744 -1.353 -12.022 1.00 41.10 H new ATOM 0 HB2 LYS A 6 6.878 -3.477 -10.242 1.00 21.31 H new ATOM 0 HB3 LYS A 6 7.555 -3.358 -11.854 1.00 21.31 H new ATOM 0 HG2 LYS A 6 7.279 -0.875 -10.163 1.00 44.25 H new ATOM 0 HG3 LYS A 6 8.603 -1.986 -9.870 1.00 44.25 H new ATOM 0 HD2 LYS A 6 9.634 -1.528 -11.889 1.00 64.14 H new ATOM 0 HD3 LYS A 6 8.124 -1.210 -12.720 1.00 64.14 H new ATOM 0 HE2 LYS A 6 9.093 0.922 -12.567 1.00 3.33 H new ATOM 0 HE3 LYS A 6 7.958 0.913 -11.231 1.00 3.33 H new ATOM 0 HZ1 LYS A 6 10.103 1.778 -10.554 1.00 42.42 H new ATOM 0 HZ2 LYS A 6 9.775 0.331 -9.729 1.00 42.42 H new ATOM 0 HZ3 LYS A 6 10.874 0.340 -11.023 1.00 42.42 H new ATOM 91 N ILE A 7 4.512 -4.355 -12.390 1.00 43.13 N ATOM 92 CA ILE A 7 4.035 -5.321 -13.372 1.00 22.23 C ATOM 93 C ILE A 7 3.212 -4.639 -14.460 1.00 25.44 C ATOM 94 O ILE A 7 3.205 -5.075 -15.610 1.00 63.13 O ATOM 95 CB ILE A 7 3.182 -6.420 -12.711 1.00 71.01 C ATOM 96 CG1 ILE A 7 3.976 -7.116 -11.603 1.00 55.43 C ATOM 97 CG2 ILE A 7 2.719 -7.429 -13.752 1.00 10.42 C ATOM 98 CD1 ILE A 7 3.146 -8.072 -10.775 1.00 63.34 C ATOM 0 H ILE A 7 4.246 -4.565 -11.428 1.00 43.13 H new ATOM 0 HA ILE A 7 4.917 -5.777 -13.821 1.00 22.23 H new ATOM 0 HB ILE A 7 2.302 -5.957 -12.265 1.00 71.01 H new ATOM 0 HG12 ILE A 7 4.807 -7.662 -12.050 1.00 55.43 H new ATOM 0 HG13 ILE A 7 4.408 -6.360 -10.947 1.00 55.43 H new ATOM 0 HG21 ILE A 7 2.117 -8.199 -13.270 1.00 10.42 H new ATOM 0 HG22 ILE A 7 2.121 -6.922 -14.509 1.00 10.42 H new ATOM 0 HG23 ILE A 7 3.587 -7.889 -14.224 1.00 10.42 H new ATOM 0 HD11 ILE A 7 3.773 -8.529 -10.009 1.00 63.34 H new ATOM 0 HD12 ILE A 7 2.331 -7.527 -10.299 1.00 63.34 H new ATOM 0 HD13 ILE A 7 2.735 -8.849 -11.419 1.00 63.34 H new ATOM 110 N GLU A 8 2.522 -3.566 -14.087 1.00 32.42 N ATOM 111 CA GLU A 8 1.696 -2.824 -15.032 1.00 4.31 C ATOM 112 C GLU A 8 2.545 -2.254 -16.165 1.00 2.33 C ATOM 113 O GLU A 8 2.415 -2.663 -17.318 1.00 34.43 O ATOM 114 CB GLU A 8 0.955 -1.692 -14.316 1.00 70.55 C ATOM 115 CG GLU A 8 -0.243 -1.166 -15.088 1.00 74.44 C ATOM 116 CD GLU A 8 -0.703 0.193 -14.597 1.00 63.24 C ATOM 117 OE1 GLU A 8 -1.231 0.267 -13.468 1.00 43.50 O ATOM 118 OE2 GLU A 8 -0.535 1.181 -15.342 1.00 4.12 O ATOM 0 H GLU A 8 2.519 -3.191 -13.138 1.00 32.42 H new ATOM 0 HA GLU A 8 0.967 -3.513 -15.458 1.00 4.31 H new ATOM 0 HB2 GLU A 8 0.621 -2.047 -13.341 1.00 70.55 H new ATOM 0 HB3 GLU A 8 1.649 -0.871 -14.136 1.00 70.55 H new ATOM 0 HG2 GLU A 8 0.012 -1.099 -16.146 1.00 74.44 H new ATOM 0 HG3 GLU A 8 -1.065 -1.876 -15.003 1.00 74.44 H new ATOM 125 N GLN A 9 3.414 -1.306 -15.826 1.00 72.33 N ATOM 126 CA GLN A 9 4.283 -0.679 -16.815 1.00 30.12 C ATOM 127 C GLN A 9 5.255 -1.694 -17.407 1.00 71.13 C ATOM 128 O GLN A 9 5.810 -1.482 -18.486 1.00 21.24 O ATOM 129 CB GLN A 9 5.058 0.478 -16.182 1.00 42.03 C ATOM 130 CG GLN A 9 5.762 1.365 -17.196 1.00 41.15 C ATOM 131 CD GLN A 9 6.385 2.594 -16.564 1.00 53.10 C ATOM 132 OE1 GLN A 9 7.465 2.525 -15.978 1.00 23.14 O ATOM 133 NE2 GLN A 9 5.705 3.729 -16.680 1.00 72.21 N ATOM 0 H GLN A 9 3.535 -0.956 -14.876 1.00 72.33 H new ATOM 0 HA GLN A 9 3.657 -0.292 -17.619 1.00 30.12 H new ATOM 0 HB2 GLN A 9 4.371 1.087 -15.595 1.00 42.03 H new ATOM 0 HB3 GLN A 9 5.797 0.074 -15.490 1.00 42.03 H new ATOM 0 HG2 GLN A 9 6.537 0.788 -17.701 1.00 41.15 H new ATOM 0 HG3 GLN A 9 5.048 1.676 -17.959 1.00 41.15 H new ATOM 0 HE21 GLN A 9 4.813 3.741 -17.175 1.00 72.21 H new ATOM 0 HE22 GLN A 9 6.075 4.589 -16.275 1.00 72.21 H new ATOM 142 N LYS A 10 5.457 -2.798 -16.695 1.00 52.35 N ATOM 143 CA LYS A 10 6.361 -3.847 -17.150 1.00 60.32 C ATOM 144 C LYS A 10 5.707 -4.696 -18.236 1.00 2.00 C ATOM 145 O LYS A 10 6.340 -5.582 -18.811 1.00 1.40 O ATOM 146 CB LYS A 10 6.777 -4.735 -15.975 1.00 74.31 C ATOM 147 CG LYS A 10 7.848 -5.752 -16.330 1.00 51.11 C ATOM 148 CD LYS A 10 8.699 -6.110 -15.123 1.00 75.10 C ATOM 149 CE LYS A 10 7.926 -6.967 -14.132 1.00 25.04 C ATOM 150 NZ LYS A 10 8.046 -8.419 -14.442 1.00 2.50 N ATOM 0 H LYS A 10 5.006 -2.989 -15.800 1.00 52.35 H new ATOM 0 HA LYS A 10 7.247 -3.371 -17.570 1.00 60.32 H new ATOM 0 HB2 LYS A 10 7.142 -4.104 -15.165 1.00 74.31 H new ATOM 0 HB3 LYS A 10 5.899 -5.261 -15.599 1.00 74.31 H new ATOM 0 HG2 LYS A 10 7.379 -6.653 -16.726 1.00 51.11 H new ATOM 0 HG3 LYS A 10 8.484 -5.351 -17.119 1.00 51.11 H new ATOM 0 HD2 LYS A 10 9.591 -6.645 -15.451 1.00 75.10 H new ATOM 0 HD3 LYS A 10 9.037 -5.198 -14.631 1.00 75.10 H new ATOM 0 HE2 LYS A 10 8.296 -6.779 -13.124 1.00 25.04 H new ATOM 0 HE3 LYS A 10 6.875 -6.679 -14.145 1.00 25.04 H new ATOM 0 HZ1 LYS A 10 7.137 -8.773 -14.804 1.00 2.50 H new ATOM 0 HZ2 LYS A 10 8.784 -8.561 -15.161 1.00 2.50 H new ATOM 0 HZ3 LYS A 10 8.301 -8.939 -13.578 1.00 2.50 H new ATOM 164 N VAL A 11 4.437 -4.419 -18.513 1.00 40.30 N ATOM 165 CA VAL A 11 3.698 -5.155 -19.532 1.00 5.11 C ATOM 166 C VAL A 11 4.259 -4.881 -20.923 1.00 2.12 C ATOM 167 O VAL A 11 4.174 -5.725 -21.815 1.00 20.51 O ATOM 168 CB VAL A 11 2.202 -4.791 -19.513 1.00 31.30 C ATOM 169 CG1 VAL A 11 1.985 -3.393 -20.072 1.00 33.42 C ATOM 170 CG2 VAL A 11 1.395 -5.818 -20.293 1.00 53.34 C ATOM 0 H VAL A 11 3.898 -3.690 -18.046 1.00 40.30 H new ATOM 0 HA VAL A 11 3.809 -6.214 -19.301 1.00 5.11 H new ATOM 0 HB VAL A 11 1.856 -4.800 -18.479 1.00 31.30 H new ATOM 0 HG11 VAL A 11 0.922 -3.154 -20.051 1.00 33.42 H new ATOM 0 HG12 VAL A 11 2.532 -2.670 -19.467 1.00 33.42 H new ATOM 0 HG13 VAL A 11 2.345 -3.352 -21.100 1.00 33.42 H new ATOM 0 HG21 VAL A 11 0.340 -5.546 -20.270 1.00 53.34 H new ATOM 0 HG22 VAL A 11 1.740 -5.843 -21.327 1.00 53.34 H new ATOM 0 HG23 VAL A 11 1.526 -6.802 -19.843 1.00 53.34 H new ATOM 180 N ILE A 12 4.833 -3.696 -21.100 1.00 51.44 N ATOM 181 CA ILE A 12 5.409 -3.311 -22.383 1.00 4.03 C ATOM 182 C ILE A 12 6.668 -4.118 -22.684 1.00 33.00 C ATOM 183 O ILE A 12 6.909 -4.505 -23.827 1.00 4.22 O ATOM 184 CB ILE A 12 5.755 -1.811 -22.417 1.00 51.52 C ATOM 185 CG1 ILE A 12 6.349 -1.433 -23.776 1.00 1.23 C ATOM 186 CG2 ILE A 12 6.722 -1.464 -21.295 1.00 40.21 C ATOM 187 CD1 ILE A 12 6.879 -0.017 -23.831 1.00 22.23 C ATOM 0 H ILE A 12 4.912 -2.986 -20.372 1.00 51.44 H new ATOM 0 HA ILE A 12 4.656 -3.519 -23.143 1.00 4.03 H new ATOM 0 HB ILE A 12 4.839 -1.239 -22.270 1.00 51.52 H new ATOM 0 HG12 ILE A 12 7.157 -2.124 -24.015 1.00 1.23 H new ATOM 0 HG13 ILE A 12 5.586 -1.557 -24.544 1.00 1.23 H new ATOM 0 HG21 ILE A 12 6.957 -0.400 -21.333 1.00 40.21 H new ATOM 0 HG22 ILE A 12 6.265 -1.701 -20.334 1.00 40.21 H new ATOM 0 HG23 ILE A 12 7.639 -2.042 -21.413 1.00 40.21 H new ATOM 0 HD11 ILE A 12 7.285 0.181 -24.823 1.00 22.23 H new ATOM 0 HD12 ILE A 12 6.070 0.683 -23.623 1.00 22.23 H new ATOM 0 HD13 ILE A 12 7.665 0.106 -23.086 1.00 22.23 H new ATOM 199 N GLU A 13 7.465 -4.370 -21.650 1.00 54.50 N ATOM 200 CA GLU A 13 8.698 -5.132 -21.805 1.00 11.02 C ATOM 201 C GLU A 13 8.403 -6.624 -21.931 1.00 10.11 C ATOM 202 O GLU A 13 9.224 -7.389 -22.436 1.00 52.24 O ATOM 203 CB GLU A 13 9.630 -4.884 -20.617 1.00 15.34 C ATOM 204 CG GLU A 13 11.094 -4.767 -21.005 1.00 53.24 C ATOM 205 CD GLU A 13 12.000 -4.558 -19.808 1.00 24.20 C ATOM 206 OE1 GLU A 13 11.587 -3.850 -18.866 1.00 61.03 O ATOM 207 OE2 GLU A 13 13.124 -5.104 -19.813 1.00 72.11 O ATOM 0 H GLU A 13 7.279 -4.058 -20.697 1.00 54.50 H new ATOM 0 HA GLU A 13 9.189 -4.798 -22.719 1.00 11.02 H new ATOM 0 HB2 GLU A 13 9.323 -3.969 -20.110 1.00 15.34 H new ATOM 0 HB3 GLU A 13 9.517 -5.698 -19.901 1.00 15.34 H new ATOM 0 HG2 GLU A 13 11.399 -5.670 -21.533 1.00 53.24 H new ATOM 0 HG3 GLU A 13 11.217 -3.935 -21.698 1.00 53.24 H new ATOM 214 N MET A 14 7.226 -7.030 -21.467 1.00 14.41 N ATOM 215 CA MET A 14 6.822 -8.430 -21.528 1.00 53.51 C ATOM 216 C MET A 14 6.359 -8.801 -22.934 1.00 5.04 C ATOM 217 O MET A 14 6.959 -9.653 -23.590 1.00 35.01 O ATOM 218 CB MET A 14 5.703 -8.704 -20.521 1.00 71.34 C ATOM 219 CG MET A 14 5.347 -10.177 -20.396 1.00 13.45 C ATOM 220 SD MET A 14 6.432 -11.059 -19.258 1.00 65.01 S ATOM 221 CE MET A 14 7.397 -12.041 -20.404 1.00 72.41 C ATOM 0 H MET A 14 6.535 -6.410 -21.045 1.00 14.41 H new ATOM 0 HA MET A 14 7.687 -9.044 -21.275 1.00 53.51 H new ATOM 0 HB2 MET A 14 6.004 -8.327 -19.544 1.00 71.34 H new ATOM 0 HB3 MET A 14 4.814 -8.147 -20.817 1.00 71.34 H new ATOM 0 HG2 MET A 14 4.316 -10.270 -20.055 1.00 13.45 H new ATOM 0 HG3 MET A 14 5.401 -10.645 -21.379 1.00 13.45 H new ATOM 0 HE1 MET A 14 7.286 -13.098 -20.161 1.00 72.41 H new ATOM 0 HE2 MET A 14 7.046 -11.863 -21.421 1.00 72.41 H new ATOM 0 HE3 MET A 14 8.448 -11.760 -20.329 1.00 72.41 H new ATOM 231 N VAL A 15 5.290 -8.157 -23.390 1.00 1.52 N ATOM 232 CA VAL A 15 4.748 -8.419 -24.718 1.00 3.13 C ATOM 233 C VAL A 15 5.793 -8.163 -25.798 1.00 22.40 C ATOM 234 O VAL A 15 5.719 -8.721 -26.892 1.00 72.52 O ATOM 235 CB VAL A 15 3.510 -7.548 -25.001 1.00 12.13 C ATOM 236 CG1 VAL A 15 2.963 -7.832 -26.391 1.00 64.15 C ATOM 237 CG2 VAL A 15 2.443 -7.780 -23.942 1.00 14.01 C ATOM 0 H VAL A 15 4.782 -7.450 -22.859 1.00 1.52 H new ATOM 0 HA VAL A 15 4.457 -9.469 -24.739 1.00 3.13 H new ATOM 0 HB VAL A 15 3.808 -6.500 -24.961 1.00 12.13 H new ATOM 0 HG11 VAL A 15 2.089 -7.207 -26.573 1.00 64.15 H new ATOM 0 HG12 VAL A 15 3.728 -7.611 -27.135 1.00 64.15 H new ATOM 0 HG13 VAL A 15 2.680 -8.882 -26.463 1.00 64.15 H new ATOM 0 HG21 VAL A 15 1.575 -7.157 -24.157 1.00 14.01 H new ATOM 0 HG22 VAL A 15 2.147 -8.829 -23.948 1.00 14.01 H new ATOM 0 HG23 VAL A 15 2.841 -7.521 -22.961 1.00 14.01 H new ATOM 247 N ALA A 16 6.768 -7.316 -25.483 1.00 35.45 N ATOM 248 CA ALA A 16 7.830 -6.989 -26.425 1.00 52.43 C ATOM 249 C ALA A 16 8.798 -8.156 -26.589 1.00 55.43 C ATOM 250 O ALA A 16 9.486 -8.264 -27.603 1.00 71.44 O ATOM 251 CB ALA A 16 8.575 -5.743 -25.969 1.00 13.12 C ATOM 0 H ALA A 16 6.844 -6.844 -24.582 1.00 35.45 H new ATOM 0 HA ALA A 16 7.373 -6.791 -27.395 1.00 52.43 H new ATOM 0 HB1 ALA A 16 9.366 -5.510 -26.682 1.00 13.12 H new ATOM 0 HB2 ALA A 16 7.881 -4.905 -25.911 1.00 13.12 H new ATOM 0 HB3 ALA A 16 9.013 -5.920 -24.987 1.00 13.12 H new ATOM 257 N GLU A 17 8.845 -9.025 -25.585 1.00 33.12 N ATOM 258 CA GLU A 17 9.730 -10.183 -25.619 1.00 22.23 C ATOM 259 C GLU A 17 8.949 -11.456 -25.931 1.00 61.31 C ATOM 260 O GLU A 17 9.460 -12.369 -26.581 1.00 3.24 O ATOM 261 CB GLU A 17 10.460 -10.334 -24.282 1.00 71.43 C ATOM 262 CG GLU A 17 11.814 -11.014 -24.402 1.00 12.34 C ATOM 263 CD GLU A 17 12.766 -10.261 -25.310 1.00 41.04 C ATOM 264 OE1 GLU A 17 13.005 -9.062 -25.055 1.00 42.14 O ATOM 265 OE2 GLU A 17 13.272 -10.870 -26.276 1.00 32.10 O ATOM 0 H GLU A 17 8.281 -8.949 -24.738 1.00 33.12 H new ATOM 0 HA GLU A 17 10.463 -10.025 -26.410 1.00 22.23 H new ATOM 0 HB2 GLU A 17 10.596 -9.348 -23.838 1.00 71.43 H new ATOM 0 HB3 GLU A 17 9.834 -10.907 -23.598 1.00 71.43 H new ATOM 0 HG2 GLU A 17 12.259 -11.106 -23.411 1.00 12.34 H new ATOM 0 HG3 GLU A 17 11.676 -12.025 -24.785 1.00 12.34 H new ATOM 272 N LYS A 18 7.707 -11.511 -25.463 1.00 54.13 N ATOM 273 CA LYS A 18 6.853 -12.670 -25.692 1.00 33.41 C ATOM 274 C LYS A 18 6.793 -13.018 -27.176 1.00 11.01 C ATOM 275 O LYS A 18 7.087 -14.147 -27.572 1.00 44.50 O ATOM 276 CB LYS A 18 5.442 -12.403 -25.163 1.00 11.23 C ATOM 277 CG LYS A 18 4.529 -13.615 -25.223 1.00 64.54 C ATOM 278 CD LYS A 18 3.738 -13.654 -26.520 1.00 42.31 C ATOM 279 CE LYS A 18 2.358 -13.037 -26.349 1.00 43.15 C ATOM 280 NZ LYS A 18 2.421 -11.551 -26.272 1.00 73.01 N ATOM 0 H LYS A 18 7.269 -10.765 -24.922 1.00 54.13 H new ATOM 0 HA LYS A 18 7.282 -13.516 -25.155 1.00 33.41 H new ATOM 0 HB2 LYS A 18 5.509 -12.060 -24.130 1.00 11.23 H new ATOM 0 HB3 LYS A 18 4.995 -11.593 -25.739 1.00 11.23 H new ATOM 0 HG2 LYS A 18 5.123 -14.524 -25.131 1.00 64.54 H new ATOM 0 HG3 LYS A 18 3.842 -13.596 -24.377 1.00 64.54 H new ATOM 0 HD2 LYS A 18 4.284 -13.118 -27.297 1.00 42.31 H new ATOM 0 HD3 LYS A 18 3.637 -14.686 -26.855 1.00 42.31 H new ATOM 0 HE2 LYS A 18 1.723 -13.331 -27.185 1.00 43.15 H new ATOM 0 HE3 LYS A 18 1.895 -13.428 -25.443 1.00 43.15 H new ATOM 0 HZ1 LYS A 18 1.591 -11.143 -26.747 1.00 73.01 H new ATOM 0 HZ2 LYS A 18 2.430 -11.255 -25.275 1.00 73.01 H new ATOM 0 HZ3 LYS A 18 3.287 -11.216 -26.740 1.00 73.01 H new ATOM 294 N LEU A 19 6.412 -12.042 -27.992 1.00 53.05 N ATOM 295 CA LEU A 19 6.315 -12.244 -29.434 1.00 21.40 C ATOM 296 C LEU A 19 7.329 -11.378 -30.175 1.00 14.03 C ATOM 297 O LEU A 19 7.177 -11.108 -31.365 1.00 73.43 O ATOM 298 CB LEU A 19 4.901 -11.923 -29.920 1.00 73.32 C ATOM 299 CG LEU A 19 4.226 -12.995 -30.778 1.00 4.23 C ATOM 300 CD1 LEU A 19 5.129 -13.400 -31.933 1.00 55.31 C ATOM 301 CD2 LEU A 19 3.865 -14.206 -29.931 1.00 22.43 C ATOM 0 H LEU A 19 6.165 -11.103 -27.680 1.00 53.05 H new ATOM 0 HA LEU A 19 6.536 -13.290 -29.645 1.00 21.40 H new ATOM 0 HB2 LEU A 19 4.273 -11.735 -29.049 1.00 73.32 H new ATOM 0 HB3 LEU A 19 4.937 -10.997 -30.493 1.00 73.32 H new ATOM 0 HG LEU A 19 3.307 -12.578 -31.191 1.00 4.23 H new ATOM 0 HD11 LEU A 19 4.633 -14.163 -32.533 1.00 55.31 H new ATOM 0 HD12 LEU A 19 5.338 -12.529 -32.554 1.00 55.31 H new ATOM 0 HD13 LEU A 19 6.065 -13.798 -31.541 1.00 55.31 H new ATOM 0 HD21 LEU A 19 3.386 -14.958 -30.557 1.00 22.43 H new ATOM 0 HD22 LEU A 19 4.770 -14.624 -29.490 1.00 22.43 H new ATOM 0 HD23 LEU A 19 3.180 -13.904 -29.138 1.00 22.43 H new ATOM 313 N ASN A 20 8.364 -10.947 -29.462 1.00 11.45 N ATOM 314 CA ASN A 20 9.404 -10.112 -30.052 1.00 1.02 C ATOM 315 C ASN A 20 8.796 -8.912 -30.771 1.00 14.21 C ATOM 316 O ASN A 20 9.222 -8.549 -31.867 1.00 43.32 O ATOM 317 CB ASN A 20 10.251 -10.931 -31.029 1.00 14.53 C ATOM 318 CG ASN A 20 10.582 -12.309 -30.491 1.00 62.45 C ATOM 319 OD1 ASN A 20 9.756 -13.221 -30.538 1.00 0.14 O ATOM 320 ND2 ASN A 20 11.797 -12.468 -29.978 1.00 15.21 N ATOM 0 H ASN A 20 8.505 -11.162 -28.475 1.00 11.45 H new ATOM 0 HA ASN A 20 10.041 -9.746 -29.247 1.00 1.02 H new ATOM 0 HB2 ASN A 20 9.716 -11.031 -31.974 1.00 14.53 H new ATOM 0 HB3 ASN A 20 11.176 -10.395 -31.242 1.00 14.53 H new ATOM 0 HD21 ASN A 20 12.077 -13.374 -29.602 1.00 15.21 H new ATOM 0 HD22 ASN A 20 12.449 -11.684 -29.960 1.00 15.21 H new ATOM 327 N LYS A 21 7.796 -8.299 -30.146 1.00 2.13 N ATOM 328 CA LYS A 21 7.129 -7.138 -30.723 1.00 70.12 C ATOM 329 C LYS A 21 7.868 -5.852 -30.367 1.00 64.41 C ATOM 330 O LYS A 21 8.103 -5.565 -29.193 1.00 61.02 O ATOM 331 CB LYS A 21 5.682 -7.059 -30.232 1.00 73.42 C ATOM 332 CG LYS A 21 4.685 -6.725 -31.328 1.00 72.23 C ATOM 333 CD LYS A 21 4.404 -7.928 -32.213 1.00 24.51 C ATOM 334 CE LYS A 21 3.426 -7.586 -33.326 1.00 63.11 C ATOM 335 NZ LYS A 21 2.112 -7.134 -32.790 1.00 45.34 N ATOM 0 H LYS A 21 7.430 -8.588 -29.239 1.00 2.13 H new ATOM 0 HA LYS A 21 7.133 -7.250 -31.807 1.00 70.12 H new ATOM 0 HB2 LYS A 21 5.408 -8.013 -29.781 1.00 73.42 H new ATOM 0 HB3 LYS A 21 5.614 -6.305 -29.448 1.00 73.42 H new ATOM 0 HG2 LYS A 21 3.754 -6.376 -30.880 1.00 72.23 H new ATOM 0 HG3 LYS A 21 5.072 -5.907 -31.936 1.00 72.23 H new ATOM 0 HD2 LYS A 21 5.337 -8.288 -32.646 1.00 24.51 H new ATOM 0 HD3 LYS A 21 3.999 -8.739 -31.608 1.00 24.51 H new ATOM 0 HE2 LYS A 21 3.850 -6.803 -33.955 1.00 63.11 H new ATOM 0 HE3 LYS A 21 3.278 -8.460 -33.961 1.00 63.11 H new ATOM 0 HZ1 LYS A 21 1.367 -7.791 -33.097 1.00 45.34 H new ATOM 0 HZ2 LYS A 21 2.149 -7.114 -31.751 1.00 45.34 H new ATOM 0 HZ3 LYS A 21 1.901 -6.180 -33.147 1.00 45.34 H new ATOM 349 N ASP A 22 8.231 -5.082 -31.387 1.00 25.42 N ATOM 350 CA ASP A 22 8.942 -3.826 -31.181 1.00 0.31 C ATOM 351 C ASP A 22 8.130 -2.880 -30.302 1.00 12.04 C ATOM 352 O ASP A 22 6.900 -2.932 -30.286 1.00 12.13 O ATOM 353 CB ASP A 22 9.244 -3.160 -32.524 1.00 50.14 C ATOM 354 CG ASP A 22 10.528 -2.355 -32.496 1.00 3.22 C ATOM 355 OD1 ASP A 22 10.878 -1.833 -31.416 1.00 51.12 O ATOM 356 OD2 ASP A 22 11.184 -2.247 -33.553 1.00 22.23 O ATOM 0 H ASP A 22 8.045 -5.306 -32.365 1.00 25.42 H new ATOM 0 HA ASP A 22 9.881 -4.048 -30.675 1.00 0.31 H new ATOM 0 HB2 ASP A 22 9.315 -3.925 -33.297 1.00 50.14 H new ATOM 0 HB3 ASP A 22 8.415 -2.507 -32.797 1.00 50.14 H new ATOM 361 N LYS A 23 8.826 -2.017 -29.570 1.00 12.42 N ATOM 362 CA LYS A 23 8.171 -1.058 -28.687 1.00 72.43 C ATOM 363 C LYS A 23 7.229 -0.151 -29.473 1.00 30.25 C ATOM 364 O LYS A 23 6.269 0.387 -28.922 1.00 40.54 O ATOM 365 CB LYS A 23 9.215 -0.214 -27.953 1.00 33.13 C ATOM 366 CG LYS A 23 9.787 -0.892 -26.720 1.00 64.21 C ATOM 367 CD LYS A 23 10.985 -0.135 -26.173 1.00 5.41 C ATOM 368 CE LYS A 23 10.589 1.243 -25.665 1.00 1.22 C ATOM 369 NZ LYS A 23 11.512 1.729 -24.602 1.00 1.10 N ATOM 0 H LYS A 23 9.844 -1.962 -29.570 1.00 12.42 H new ATOM 0 HA LYS A 23 7.585 -1.615 -27.956 1.00 72.43 H new ATOM 0 HB2 LYS A 23 10.029 0.020 -28.639 1.00 33.13 H new ATOM 0 HB3 LYS A 23 8.763 0.734 -27.660 1.00 33.13 H new ATOM 0 HG2 LYS A 23 9.017 -0.961 -25.951 1.00 64.21 H new ATOM 0 HG3 LYS A 23 10.082 -1.912 -26.968 1.00 64.21 H new ATOM 0 HD2 LYS A 23 11.439 -0.706 -25.363 1.00 5.41 H new ATOM 0 HD3 LYS A 23 11.740 -0.033 -26.953 1.00 5.41 H new ATOM 0 HE2 LYS A 23 10.587 1.949 -26.495 1.00 1.22 H new ATOM 0 HE3 LYS A 23 9.572 1.208 -25.274 1.00 1.22 H new ATOM 0 HZ1 LYS A 23 11.208 2.671 -24.282 1.00 1.10 H new ATOM 0 HZ2 LYS A 23 11.495 1.069 -23.799 1.00 1.10 H new ATOM 0 HZ3 LYS A 23 12.479 1.787 -24.982 1.00 1.10 H new ATOM 383 N ALA A 24 7.510 0.012 -30.761 1.00 74.03 N ATOM 384 CA ALA A 24 6.685 0.851 -31.622 1.00 62.23 C ATOM 385 C ALA A 24 5.435 0.107 -32.080 1.00 64.30 C ATOM 386 O ALA A 24 4.602 0.658 -32.800 1.00 64.02 O ATOM 387 CB ALA A 24 7.489 1.325 -32.824 1.00 23.22 C ATOM 0 H ALA A 24 8.302 -0.425 -31.232 1.00 74.03 H new ATOM 0 HA ALA A 24 6.368 1.720 -31.045 1.00 62.23 H new ATOM 0 HB1 ALA A 24 6.861 1.950 -33.458 1.00 23.22 H new ATOM 0 HB2 ALA A 24 8.348 1.902 -32.482 1.00 23.22 H new ATOM 0 HB3 ALA A 24 7.835 0.462 -33.394 1.00 23.22 H new ATOM 393 N ILE A 25 5.311 -1.147 -31.659 1.00 24.25 N ATOM 394 CA ILE A 25 4.163 -1.966 -32.025 1.00 54.15 C ATOM 395 C ILE A 25 3.340 -2.341 -30.797 1.00 51.34 C ATOM 396 O ILE A 25 2.157 -2.666 -30.906 1.00 1.41 O ATOM 397 CB ILE A 25 4.597 -3.253 -32.751 1.00 23.24 C ATOM 398 CG1 ILE A 25 5.381 -2.910 -34.019 1.00 74.14 C ATOM 399 CG2 ILE A 25 3.384 -4.108 -33.085 1.00 61.04 C ATOM 400 CD1 ILE A 25 6.538 -3.846 -34.286 1.00 65.24 C ATOM 0 H ILE A 25 5.992 -1.618 -31.064 1.00 24.25 H new ATOM 0 HA ILE A 25 3.552 -1.367 -32.700 1.00 54.15 H new ATOM 0 HB ILE A 25 5.247 -3.824 -32.089 1.00 23.24 H new ATOM 0 HG12 ILE A 25 4.703 -2.931 -34.872 1.00 74.14 H new ATOM 0 HG13 ILE A 25 5.760 -1.891 -33.938 1.00 74.14 H new ATOM 0 HG21 ILE A 25 3.707 -5.014 -33.598 1.00 61.04 H new ATOM 0 HG22 ILE A 25 2.864 -4.377 -32.165 1.00 61.04 H new ATOM 0 HG23 ILE A 25 2.710 -3.546 -33.731 1.00 61.04 H new ATOM 0 HD11 ILE A 25 7.048 -3.543 -35.200 1.00 65.24 H new ATOM 0 HD12 ILE A 25 7.237 -3.808 -33.451 1.00 65.24 H new ATOM 0 HD13 ILE A 25 6.164 -4.864 -34.400 1.00 65.24 H new ATOM 412 N ILE A 26 3.973 -2.291 -29.630 1.00 62.54 N ATOM 413 CA ILE A 26 3.299 -2.623 -28.381 1.00 51.14 C ATOM 414 C ILE A 26 1.988 -1.856 -28.244 1.00 71.11 C ATOM 415 O ILE A 26 1.984 -0.639 -28.059 1.00 54.41 O ATOM 416 CB ILE A 26 4.189 -2.317 -27.163 1.00 23.25 C ATOM 417 CG1 ILE A 26 5.487 -3.124 -27.237 1.00 22.15 C ATOM 418 CG2 ILE A 26 3.443 -2.621 -25.872 1.00 22.10 C ATOM 419 CD1 ILE A 26 5.279 -4.617 -27.111 1.00 74.13 C ATOM 0 H ILE A 26 4.952 -2.024 -29.523 1.00 62.54 H new ATOM 0 HA ILE A 26 3.091 -3.693 -28.409 1.00 51.14 H new ATOM 0 HB ILE A 26 4.441 -1.257 -27.173 1.00 23.25 H new ATOM 0 HG12 ILE A 26 5.983 -2.913 -28.185 1.00 22.15 H new ATOM 0 HG13 ILE A 26 6.158 -2.791 -26.445 1.00 22.15 H new ATOM 0 HG21 ILE A 26 4.085 -2.400 -25.020 1.00 22.10 H new ATOM 0 HG22 ILE A 26 2.544 -2.007 -25.818 1.00 22.10 H new ATOM 0 HG23 ILE A 26 3.164 -3.675 -25.852 1.00 22.10 H new ATOM 0 HD11 ILE A 26 6.241 -5.125 -27.172 1.00 74.13 H new ATOM 0 HD12 ILE A 26 4.812 -4.840 -26.152 1.00 74.13 H new ATOM 0 HD13 ILE A 26 4.634 -4.964 -27.918 1.00 74.13 H new ATOM 431 N THR A 27 0.875 -2.577 -28.334 1.00 74.23 N ATOM 432 CA THR A 27 -0.443 -1.966 -28.220 1.00 14.24 C ATOM 433 C THR A 27 -1.410 -2.879 -27.475 1.00 74.33 C ATOM 434 O THR A 27 -1.379 -4.100 -27.638 1.00 41.41 O ATOM 435 CB THR A 27 -1.031 -1.634 -29.604 1.00 72.13 C ATOM 436 OG1 THR A 27 -0.753 -2.697 -30.522 1.00 63.22 O ATOM 437 CG2 THR A 27 -0.455 -0.332 -30.139 1.00 1.31 C ATOM 0 H THR A 27 0.860 -3.586 -28.486 1.00 74.23 H new ATOM 0 HA THR A 27 -0.314 -1.041 -27.657 1.00 14.24 H new ATOM 0 HB THR A 27 -2.110 -1.519 -29.498 1.00 72.13 H new ATOM 0 HG1 THR A 27 0.202 -2.697 -30.743 1.00 63.22 H new ATOM 0 HG21 THR A 27 -0.885 -0.119 -31.117 1.00 1.31 H new ATOM 0 HG22 THR A 27 -0.694 0.481 -29.453 1.00 1.31 H new ATOM 0 HG23 THR A 27 0.627 -0.423 -30.231 1.00 1.31 H new ATOM 445 N THR A 28 -2.271 -2.282 -26.657 1.00 52.52 N ATOM 446 CA THR A 28 -3.248 -3.042 -25.887 1.00 44.41 C ATOM 447 C THR A 28 -4.112 -3.906 -26.797 1.00 35.52 C ATOM 448 O THR A 28 -4.553 -4.988 -26.406 1.00 42.22 O ATOM 449 CB THR A 28 -4.159 -2.113 -25.063 1.00 3.25 C ATOM 450 OG1 THR A 28 -5.264 -2.854 -24.534 1.00 11.01 O ATOM 451 CG2 THR A 28 -4.674 -0.963 -25.916 1.00 21.45 C ATOM 0 H THR A 28 -2.312 -1.273 -26.511 1.00 52.52 H new ATOM 0 HA THR A 28 -2.686 -3.683 -25.208 1.00 44.41 H new ATOM 0 HB THR A 28 -3.573 -1.700 -24.242 1.00 3.25 H new ATOM 0 HG1 THR A 28 -5.838 -2.257 -24.010 1.00 11.01 H new ATOM 0 HG21 THR A 28 -5.315 -0.321 -25.312 1.00 21.45 H new ATOM 0 HG22 THR A 28 -3.831 -0.383 -26.293 1.00 21.45 H new ATOM 0 HG23 THR A 28 -5.245 -1.360 -26.755 1.00 21.45 H new ATOM 459 N ASP A 29 -4.352 -3.424 -28.011 1.00 63.22 N ATOM 460 CA ASP A 29 -5.163 -4.155 -28.978 1.00 11.21 C ATOM 461 C ASP A 29 -4.282 -4.872 -29.996 1.00 4.51 C ATOM 462 O ASP A 29 -4.708 -5.146 -31.117 1.00 55.25 O ATOM 463 CB ASP A 29 -6.121 -3.202 -29.695 1.00 71.31 C ATOM 464 CG ASP A 29 -7.151 -2.603 -28.758 1.00 74.32 C ATOM 465 OD1 ASP A 29 -8.042 -3.350 -28.302 1.00 13.45 O ATOM 466 OD2 ASP A 29 -7.067 -1.388 -28.482 1.00 75.12 O ATOM 0 H ASP A 29 -3.996 -2.530 -28.349 1.00 63.22 H new ATOM 0 HA ASP A 29 -5.743 -4.903 -28.437 1.00 11.21 H new ATOM 0 HB2 ASP A 29 -5.549 -2.400 -30.162 1.00 71.31 H new ATOM 0 HB3 ASP A 29 -6.631 -3.738 -30.496 1.00 71.31 H new ATOM 471 N SER A 30 -3.049 -5.171 -29.597 1.00 75.03 N ATOM 472 CA SER A 30 -2.106 -5.851 -30.477 1.00 22.44 C ATOM 473 C SER A 30 -2.651 -7.208 -30.913 1.00 1.01 C ATOM 474 O SER A 30 -3.269 -7.923 -30.125 1.00 35.34 O ATOM 475 CB SER A 30 -0.760 -6.032 -29.772 1.00 63.55 C ATOM 476 OG SER A 30 -0.934 -6.540 -28.461 1.00 73.10 O ATOM 0 H SER A 30 -2.681 -4.953 -28.671 1.00 75.03 H new ATOM 0 HA SER A 30 -1.964 -5.234 -31.364 1.00 22.44 H new ATOM 0 HB2 SER A 30 -0.133 -6.712 -30.348 1.00 63.55 H new ATOM 0 HB3 SER A 30 -0.238 -5.076 -29.728 1.00 63.55 H new ATOM 0 HG SER A 30 -0.958 -5.797 -27.823 1.00 73.10 H new ATOM 482 N ARG A 31 -2.417 -7.555 -32.174 1.00 45.22 N ATOM 483 CA ARG A 31 -2.885 -8.824 -32.717 1.00 25.40 C ATOM 484 C ARG A 31 -1.753 -9.562 -33.427 1.00 72.11 C ATOM 485 O ARG A 31 -1.910 -10.018 -34.560 1.00 32.21 O ATOM 486 CB ARG A 31 -4.044 -8.592 -33.687 1.00 73.21 C ATOM 487 CG ARG A 31 -5.127 -7.680 -33.134 1.00 73.05 C ATOM 488 CD ARG A 31 -6.298 -7.558 -34.098 1.00 3.24 C ATOM 489 NE ARG A 31 -5.874 -7.103 -35.419 1.00 62.02 N ATOM 490 CZ ARG A 31 -6.643 -7.168 -36.500 1.00 63.44 C ATOM 491 NH1 ARG A 31 -7.869 -7.667 -36.417 1.00 45.31 N ATOM 492 NH2 ARG A 31 -6.186 -6.734 -37.668 1.00 62.21 N ATOM 0 H ARG A 31 -1.906 -6.975 -32.839 1.00 45.22 H new ATOM 0 HA ARG A 31 -3.233 -9.439 -31.887 1.00 25.40 H new ATOM 0 HB2 ARG A 31 -3.654 -8.161 -34.609 1.00 73.21 H new ATOM 0 HB3 ARG A 31 -4.488 -9.553 -33.946 1.00 73.21 H new ATOM 0 HG2 ARG A 31 -5.480 -8.069 -32.179 1.00 73.05 H new ATOM 0 HG3 ARG A 31 -4.709 -6.692 -32.941 1.00 73.05 H new ATOM 0 HD2 ARG A 31 -6.794 -8.524 -34.189 1.00 3.24 H new ATOM 0 HD3 ARG A 31 -7.031 -6.860 -33.692 1.00 3.24 H new ATOM 0 HE ARG A 31 -4.936 -6.714 -35.517 1.00 62.02 H new ATOM 0 HH11 ARG A 31 -8.224 -8.002 -35.521 1.00 45.31 H new ATOM 0 HH12 ARG A 31 -8.457 -7.716 -37.249 1.00 45.31 H new ATOM 0 HH21 ARG A 31 -5.243 -6.350 -37.736 1.00 62.21 H new ATOM 0 HH22 ARG A 31 -6.777 -6.784 -38.498 1.00 62.21 H new ATOM 506 N PHE A 32 -0.613 -9.675 -32.754 1.00 31.12 N ATOM 507 CA PHE A 32 0.545 -10.356 -33.321 1.00 3.24 C ATOM 508 C PHE A 32 0.159 -11.731 -33.858 1.00 51.55 C ATOM 509 O PHE A 32 0.730 -12.208 -34.840 1.00 12.43 O ATOM 510 CB PHE A 32 1.646 -10.499 -32.267 1.00 15.30 C ATOM 511 CG PHE A 32 1.131 -10.901 -30.914 1.00 44.51 C ATOM 512 CD1 PHE A 32 0.802 -12.220 -30.648 1.00 14.45 C ATOM 513 CD2 PHE A 32 0.978 -9.959 -29.909 1.00 24.31 C ATOM 514 CE1 PHE A 32 0.328 -12.592 -29.404 1.00 14.32 C ATOM 515 CE2 PHE A 32 0.505 -10.326 -28.663 1.00 2.31 C ATOM 516 CZ PHE A 32 0.180 -11.644 -28.410 1.00 4.11 C ATOM 0 H PHE A 32 -0.466 -9.304 -31.815 1.00 31.12 H new ATOM 0 HA PHE A 32 0.919 -9.754 -34.149 1.00 3.24 H new ATOM 0 HB2 PHE A 32 2.369 -11.240 -32.607 1.00 15.30 H new ATOM 0 HB3 PHE A 32 2.178 -9.552 -32.178 1.00 15.30 H new ATOM 0 HD1 PHE A 32 0.917 -12.966 -31.421 1.00 14.45 H new ATOM 0 HD2 PHE A 32 1.231 -8.927 -30.101 1.00 24.31 H new ATOM 0 HE1 PHE A 32 0.073 -13.623 -29.209 1.00 14.32 H new ATOM 0 HE2 PHE A 32 0.390 -9.583 -27.888 1.00 2.31 H new ATOM 0 HZ PHE A 32 -0.189 -11.933 -27.437 1.00 4.11 H new ATOM 526 N ILE A 33 -0.813 -12.362 -33.209 1.00 12.54 N ATOM 527 CA ILE A 33 -1.276 -13.681 -33.621 1.00 53.42 C ATOM 528 C ILE A 33 -1.713 -13.678 -35.082 1.00 44.34 C ATOM 529 O ILE A 33 -1.384 -14.590 -35.840 1.00 20.13 O ATOM 530 CB ILE A 33 -2.449 -14.164 -32.748 1.00 20.22 C ATOM 531 CG1 ILE A 33 -2.961 -15.517 -33.247 1.00 53.31 C ATOM 532 CG2 ILE A 33 -3.569 -13.135 -32.748 1.00 10.43 C ATOM 533 CD1 ILE A 33 -1.895 -16.589 -33.289 1.00 10.15 C ATOM 0 H ILE A 33 -1.296 -11.981 -32.395 1.00 12.54 H new ATOM 0 HA ILE A 33 -0.435 -14.364 -33.496 1.00 53.42 H new ATOM 0 HB ILE A 33 -2.095 -14.286 -31.724 1.00 20.22 H new ATOM 0 HG12 ILE A 33 -3.774 -15.849 -32.601 1.00 53.31 H new ATOM 0 HG13 ILE A 33 -3.379 -15.392 -34.246 1.00 53.31 H new ATOM 0 HG21 ILE A 33 -4.390 -13.491 -32.127 1.00 10.43 H new ATOM 0 HG22 ILE A 33 -3.196 -12.191 -32.350 1.00 10.43 H new ATOM 0 HG23 ILE A 33 -3.924 -12.984 -33.767 1.00 10.43 H new ATOM 0 HD11 ILE A 33 -2.330 -17.520 -33.652 1.00 10.15 H new ATOM 0 HD12 ILE A 33 -1.092 -16.278 -33.958 1.00 10.15 H new ATOM 0 HD13 ILE A 33 -1.494 -16.742 -32.287 1.00 10.15 H new ATOM 545 N GLU A 34 -2.453 -12.645 -35.471 1.00 55.41 N ATOM 546 CA GLU A 34 -2.934 -12.523 -36.843 1.00 22.05 C ATOM 547 C GLU A 34 -1.943 -11.739 -37.698 1.00 71.25 C ATOM 548 O GLU A 34 -1.463 -12.232 -38.719 1.00 65.02 O ATOM 549 CB GLU A 34 -4.301 -11.837 -36.869 1.00 33.15 C ATOM 550 CG GLU A 34 -4.986 -11.895 -38.224 1.00 22.52 C ATOM 551 CD GLU A 34 -5.037 -13.301 -38.792 1.00 3.43 C ATOM 552 OE1 GLU A 34 -4.089 -13.684 -39.510 1.00 35.12 O ATOM 553 OE2 GLU A 34 -6.023 -14.016 -38.519 1.00 22.24 O ATOM 0 H GLU A 34 -2.733 -11.881 -34.856 1.00 55.41 H new ATOM 0 HA GLU A 34 -3.032 -13.526 -37.257 1.00 22.05 H new ATOM 0 HB2 GLU A 34 -4.946 -12.304 -36.125 1.00 33.15 H new ATOM 0 HB3 GLU A 34 -4.180 -10.794 -36.577 1.00 33.15 H new ATOM 0 HG2 GLU A 34 -6.001 -11.508 -38.131 1.00 22.52 H new ATOM 0 HG3 GLU A 34 -4.459 -11.244 -38.922 1.00 22.52 H new ATOM 560 N ASP A 35 -1.643 -10.516 -37.275 1.00 71.23 N ATOM 561 CA ASP A 35 -0.710 -9.663 -38.002 1.00 24.33 C ATOM 562 C ASP A 35 0.608 -10.390 -38.253 1.00 72.21 C ATOM 563 O ASP A 35 1.054 -10.511 -39.395 1.00 23.53 O ATOM 564 CB ASP A 35 -0.453 -8.372 -37.223 1.00 34.10 C ATOM 565 CG ASP A 35 0.582 -7.489 -37.891 1.00 25.14 C ATOM 566 OD1 ASP A 35 0.354 -7.076 -39.047 1.00 70.10 O ATOM 567 OD2 ASP A 35 1.621 -7.210 -37.256 1.00 63.45 O ATOM 0 H ASP A 35 -2.032 -10.093 -36.432 1.00 71.23 H new ATOM 0 HA ASP A 35 -1.157 -9.415 -38.965 1.00 24.33 H new ATOM 0 HB2 ASP A 35 -1.387 -7.820 -37.123 1.00 34.10 H new ATOM 0 HB3 ASP A 35 -0.119 -8.619 -36.215 1.00 34.10 H new ATOM 572 N LEU A 36 1.226 -10.871 -37.180 1.00 62.13 N ATOM 573 CA LEU A 36 2.494 -11.586 -37.284 1.00 11.41 C ATOM 574 C LEU A 36 2.267 -13.044 -37.669 1.00 41.01 C ATOM 575 O LEU A 36 3.217 -13.786 -37.920 1.00 73.22 O ATOM 576 CB LEU A 36 3.255 -11.509 -35.959 1.00 41.53 C ATOM 577 CG LEU A 36 4.716 -11.065 -36.049 1.00 72.54 C ATOM 578 CD1 LEU A 36 4.816 -9.678 -36.665 1.00 31.34 C ATOM 579 CD2 LEU A 36 5.366 -11.089 -34.674 1.00 21.12 C ATOM 0 H LEU A 36 0.870 -10.779 -36.228 1.00 62.13 H new ATOM 0 HA LEU A 36 3.088 -11.112 -38.065 1.00 11.41 H new ATOM 0 HB2 LEU A 36 2.727 -10.821 -35.299 1.00 41.53 H new ATOM 0 HB3 LEU A 36 3.223 -12.491 -35.487 1.00 41.53 H new ATOM 0 HG LEU A 36 5.249 -11.764 -36.693 1.00 72.54 H new ATOM 0 HD11 LEU A 36 5.863 -9.379 -36.721 1.00 31.34 H new ATOM 0 HD12 LEU A 36 4.389 -9.694 -37.668 1.00 31.34 H new ATOM 0 HD13 LEU A 36 4.268 -8.966 -36.048 1.00 31.34 H new ATOM 0 HD21 LEU A 36 6.405 -10.770 -34.757 1.00 21.12 H new ATOM 0 HD22 LEU A 36 4.831 -10.413 -34.007 1.00 21.12 H new ATOM 0 HD23 LEU A 36 5.328 -12.101 -34.271 1.00 21.12 H new ATOM 591 N LYS A 37 1.002 -13.448 -37.716 1.00 23.31 N ATOM 592 CA LYS A 37 0.649 -14.817 -38.074 1.00 13.20 C ATOM 593 C LYS A 37 1.431 -15.819 -37.231 1.00 61.15 C ATOM 594 O LYS A 37 2.118 -16.689 -37.765 1.00 24.52 O ATOM 595 CB LYS A 37 0.919 -15.063 -39.560 1.00 53.11 C ATOM 596 CG LYS A 37 0.310 -16.352 -40.083 1.00 64.54 C ATOM 597 CD LYS A 37 -1.208 -16.296 -40.076 1.00 50.12 C ATOM 598 CE LYS A 37 -1.730 -15.216 -41.012 1.00 20.22 C ATOM 599 NZ LYS A 37 -1.200 -15.376 -42.394 1.00 61.42 N ATOM 0 H LYS A 37 0.204 -12.847 -37.511 1.00 23.31 H new ATOM 0 HA LYS A 37 -0.414 -14.955 -37.877 1.00 13.20 H new ATOM 0 HB2 LYS A 37 0.526 -14.225 -40.136 1.00 53.11 H new ATOM 0 HB3 LYS A 37 1.996 -15.086 -39.726 1.00 53.11 H new ATOM 0 HG2 LYS A 37 0.663 -16.537 -41.098 1.00 64.54 H new ATOM 0 HG3 LYS A 37 0.647 -17.189 -39.471 1.00 64.54 H new ATOM 0 HD2 LYS A 37 -1.610 -17.264 -40.375 1.00 50.12 H new ATOM 0 HD3 LYS A 37 -1.561 -16.103 -39.063 1.00 50.12 H new ATOM 0 HE2 LYS A 37 -2.819 -15.250 -41.035 1.00 20.22 H new ATOM 0 HE3 LYS A 37 -1.450 -14.235 -40.627 1.00 20.22 H new ATOM 0 HZ1 LYS A 37 -1.749 -14.782 -43.047 1.00 61.42 H new ATOM 0 HZ2 LYS A 37 -0.202 -15.086 -42.419 1.00 61.42 H new ATOM 0 HZ3 LYS A 37 -1.278 -16.372 -42.683 1.00 61.42 H new ATOM 613 N ALA A 38 1.321 -15.691 -35.913 1.00 75.13 N ATOM 614 CA ALA A 38 2.015 -16.588 -34.998 1.00 12.12 C ATOM 615 C ALA A 38 1.479 -18.011 -35.112 1.00 23.21 C ATOM 616 O ALA A 38 0.337 -18.286 -34.745 1.00 54.22 O ATOM 617 CB ALA A 38 1.885 -16.086 -33.567 1.00 72.13 C ATOM 0 H ALA A 38 0.758 -14.975 -35.455 1.00 75.13 H new ATOM 0 HA ALA A 38 3.070 -16.602 -35.272 1.00 12.12 H new ATOM 0 HB1 ALA A 38 2.408 -16.766 -32.894 1.00 72.13 H new ATOM 0 HB2 ALA A 38 2.322 -15.091 -33.489 1.00 72.13 H new ATOM 0 HB3 ALA A 38 0.831 -16.042 -33.291 1.00 72.13 H new ATOM 623 N ASP A 39 2.311 -18.912 -35.623 1.00 22.02 N ATOM 624 CA ASP A 39 1.921 -20.308 -35.785 1.00 1.21 C ATOM 625 C ASP A 39 1.477 -20.906 -34.454 1.00 13.02 C ATOM 626 O ASP A 39 1.553 -20.254 -33.413 1.00 0.14 O ATOM 627 CB ASP A 39 3.082 -21.120 -36.361 1.00 72.32 C ATOM 628 CG ASP A 39 3.679 -20.479 -37.598 1.00 64.01 C ATOM 629 OD1 ASP A 39 3.002 -19.628 -38.212 1.00 1.33 O ATOM 630 OD2 ASP A 39 4.825 -20.828 -37.952 1.00 51.11 O ATOM 0 H ASP A 39 3.260 -18.701 -35.932 1.00 22.02 H new ATOM 0 HA ASP A 39 1.081 -20.347 -36.478 1.00 1.21 H new ATOM 0 HB2 ASP A 39 3.857 -21.229 -35.602 1.00 72.32 H new ATOM 0 HB3 ASP A 39 2.733 -22.123 -36.607 1.00 72.32 H new ATOM 635 N SER A 40 1.011 -22.150 -34.496 1.00 24.31 N ATOM 636 CA SER A 40 0.550 -22.835 -33.294 1.00 51.10 C ATOM 637 C SER A 40 1.730 -23.320 -32.458 1.00 3.01 C ATOM 638 O SER A 40 1.839 -23.002 -31.273 1.00 3.01 O ATOM 639 CB SER A 40 -0.346 -24.018 -33.667 1.00 44.13 C ATOM 640 OG SER A 40 -1.070 -24.484 -32.542 1.00 54.23 O ATOM 0 H SER A 40 0.943 -22.704 -35.350 1.00 24.31 H new ATOM 0 HA SER A 40 -0.026 -22.125 -32.700 1.00 51.10 H new ATOM 0 HB2 SER A 40 -1.041 -23.719 -34.452 1.00 44.13 H new ATOM 0 HB3 SER A 40 0.263 -24.826 -34.072 1.00 44.13 H new ATOM 0 HG SER A 40 -1.636 -25.239 -32.807 1.00 54.23 H new ATOM 646 N LEU A 41 2.612 -24.092 -33.083 1.00 42.12 N ATOM 647 CA LEU A 41 3.786 -24.622 -32.398 1.00 61.23 C ATOM 648 C LEU A 41 4.682 -23.493 -31.900 1.00 42.11 C ATOM 649 O LEU A 41 5.447 -23.667 -30.951 1.00 12.41 O ATOM 650 CB LEU A 41 4.575 -25.540 -33.334 1.00 23.05 C ATOM 651 CG LEU A 41 5.461 -24.844 -34.368 1.00 12.35 C ATOM 652 CD1 LEU A 41 6.383 -25.847 -35.043 1.00 1.14 C ATOM 653 CD2 LEU A 41 4.608 -24.122 -35.400 1.00 52.44 C ATOM 0 H LEU A 41 2.537 -24.365 -34.063 1.00 42.12 H new ATOM 0 HA LEU A 41 3.445 -25.197 -31.537 1.00 61.23 H new ATOM 0 HB2 LEU A 41 5.203 -26.192 -32.727 1.00 23.05 H new ATOM 0 HB3 LEU A 41 3.869 -26.180 -33.862 1.00 23.05 H new ATOM 0 HG LEU A 41 6.076 -24.106 -33.854 1.00 12.35 H new ATOM 0 HD11 LEU A 41 7.006 -25.333 -35.775 1.00 1.14 H new ATOM 0 HD12 LEU A 41 7.019 -26.319 -34.294 1.00 1.14 H new ATOM 0 HD13 LEU A 41 5.787 -26.609 -35.545 1.00 1.14 H new ATOM 0 HD21 LEU A 41 5.255 -23.632 -36.128 1.00 52.44 H new ATOM 0 HD22 LEU A 41 3.967 -24.841 -35.910 1.00 52.44 H new ATOM 0 HD23 LEU A 41 3.990 -23.374 -34.903 1.00 52.44 H new ATOM 665 N ASP A 42 4.581 -22.336 -32.545 1.00 70.01 N ATOM 666 CA ASP A 42 5.380 -21.177 -32.166 1.00 11.45 C ATOM 667 C ASP A 42 4.757 -20.453 -30.975 1.00 70.45 C ATOM 668 O ASP A 42 5.437 -20.146 -29.996 1.00 1.01 O ATOM 669 CB ASP A 42 5.517 -20.216 -33.348 1.00 15.44 C ATOM 670 CG ASP A 42 6.114 -20.883 -34.570 1.00 62.34 C ATOM 671 OD1 ASP A 42 6.712 -21.969 -34.420 1.00 61.13 O ATOM 672 OD2 ASP A 42 5.985 -20.320 -35.677 1.00 50.55 O ATOM 0 H ASP A 42 3.953 -22.176 -33.333 1.00 70.01 H new ATOM 0 HA ASP A 42 6.371 -21.529 -31.877 1.00 11.45 H new ATOM 0 HB2 ASP A 42 4.536 -19.813 -33.600 1.00 15.44 H new ATOM 0 HB3 ASP A 42 6.143 -19.373 -33.056 1.00 15.44 H new ATOM 677 N THR A 43 3.459 -20.183 -31.067 1.00 75.02 N ATOM 678 CA THR A 43 2.744 -19.494 -30.000 1.00 21.11 C ATOM 679 C THR A 43 2.963 -20.183 -28.658 1.00 33.31 C ATOM 680 O THR A 43 3.346 -19.546 -27.677 1.00 24.33 O ATOM 681 CB THR A 43 1.233 -19.426 -30.289 1.00 14.32 C ATOM 682 OG1 THR A 43 0.781 -20.671 -30.834 1.00 1.34 O ATOM 683 CG2 THR A 43 0.918 -18.298 -31.259 1.00 53.45 C ATOM 0 H THR A 43 2.881 -20.431 -31.870 1.00 75.02 H new ATOM 0 HA THR A 43 3.143 -18.481 -29.955 1.00 21.11 H new ATOM 0 HB THR A 43 0.715 -19.232 -29.350 1.00 14.32 H new ATOM 0 HG1 THR A 43 1.541 -21.283 -30.927 1.00 1.34 H new ATOM 0 HG21 THR A 43 -0.155 -18.270 -31.448 1.00 53.45 H new ATOM 0 HG22 THR A 43 1.236 -17.348 -30.828 1.00 53.45 H new ATOM 0 HG23 THR A 43 1.447 -18.466 -32.197 1.00 53.45 H new ATOM 691 N VAL A 44 2.717 -21.489 -28.621 1.00 70.14 N ATOM 692 CA VAL A 44 2.889 -22.266 -27.399 1.00 50.53 C ATOM 693 C VAL A 44 4.261 -22.020 -26.781 1.00 15.13 C ATOM 694 O VAL A 44 4.416 -22.050 -25.560 1.00 53.34 O ATOM 695 CB VAL A 44 2.720 -23.773 -27.664 1.00 31.41 C ATOM 696 CG1 VAL A 44 1.298 -24.082 -28.109 1.00 2.45 C ATOM 697 CG2 VAL A 44 3.726 -24.248 -28.701 1.00 64.11 C ATOM 0 H VAL A 44 2.398 -22.031 -29.424 1.00 70.14 H new ATOM 0 HA VAL A 44 2.116 -21.939 -26.704 1.00 50.53 H new ATOM 0 HB VAL A 44 2.909 -24.310 -26.735 1.00 31.41 H new ATOM 0 HG11 VAL A 44 1.198 -25.152 -28.291 1.00 2.45 H new ATOM 0 HG12 VAL A 44 0.599 -23.780 -27.329 1.00 2.45 H new ATOM 0 HG13 VAL A 44 1.077 -23.535 -29.026 1.00 2.45 H new ATOM 0 HG21 VAL A 44 3.592 -25.316 -28.876 1.00 64.11 H new ATOM 0 HG22 VAL A 44 3.571 -23.705 -29.634 1.00 64.11 H new ATOM 0 HG23 VAL A 44 4.737 -24.064 -28.338 1.00 64.11 H new ATOM 707 N GLU A 45 5.253 -21.777 -27.632 1.00 14.25 N ATOM 708 CA GLU A 45 6.612 -21.526 -27.167 1.00 60.14 C ATOM 709 C GLU A 45 6.794 -20.061 -26.782 1.00 51.21 C ATOM 710 O GLU A 45 7.493 -19.742 -25.819 1.00 71.31 O ATOM 711 CB GLU A 45 7.623 -21.909 -28.250 1.00 21.51 C ATOM 712 CG GLU A 45 9.050 -21.502 -27.922 1.00 32.31 C ATOM 713 CD GLU A 45 10.079 -22.362 -28.629 1.00 62.05 C ATOM 714 OE1 GLU A 45 9.820 -22.770 -29.781 1.00 72.00 O ATOM 715 OE2 GLU A 45 11.143 -22.627 -28.032 1.00 42.03 O ATOM 0 H GLU A 45 5.141 -21.749 -28.645 1.00 14.25 H new ATOM 0 HA GLU A 45 6.786 -22.140 -26.283 1.00 60.14 H new ATOM 0 HB2 GLU A 45 7.588 -22.988 -28.403 1.00 21.51 H new ATOM 0 HB3 GLU A 45 7.329 -21.444 -29.191 1.00 21.51 H new ATOM 0 HG2 GLU A 45 9.200 -20.459 -28.202 1.00 32.31 H new ATOM 0 HG3 GLU A 45 9.204 -21.569 -26.845 1.00 32.31 H new ATOM 722 N LEU A 46 6.161 -19.173 -27.541 1.00 12.03 N ATOM 723 CA LEU A 46 6.252 -17.740 -27.280 1.00 62.53 C ATOM 724 C LEU A 46 5.573 -17.382 -25.962 1.00 64.31 C ATOM 725 O LEU A 46 6.192 -16.798 -25.073 1.00 31.42 O ATOM 726 CB LEU A 46 5.615 -16.952 -28.426 1.00 20.21 C ATOM 727 CG LEU A 46 6.238 -17.154 -29.808 1.00 31.43 C ATOM 728 CD1 LEU A 46 5.197 -16.948 -30.898 1.00 25.15 C ATOM 729 CD2 LEU A 46 7.415 -16.210 -30.006 1.00 33.24 C ATOM 0 H LEU A 46 5.579 -19.420 -28.342 1.00 12.03 H new ATOM 0 HA LEU A 46 7.307 -17.475 -27.207 1.00 62.53 H new ATOM 0 HB2 LEU A 46 4.560 -17.220 -28.482 1.00 20.21 H new ATOM 0 HB3 LEU A 46 5.661 -15.891 -28.180 1.00 20.21 H new ATOM 0 HG LEU A 46 6.605 -18.178 -29.874 1.00 31.43 H new ATOM 0 HD11 LEU A 46 5.658 -17.096 -31.874 1.00 25.15 H new ATOM 0 HD12 LEU A 46 4.387 -17.665 -30.767 1.00 25.15 H new ATOM 0 HD13 LEU A 46 4.799 -15.935 -30.834 1.00 25.15 H new ATOM 0 HD21 LEU A 46 7.846 -16.368 -30.995 1.00 33.24 H new ATOM 0 HD22 LEU A 46 7.073 -15.179 -29.920 1.00 33.24 H new ATOM 0 HD23 LEU A 46 8.171 -16.406 -29.245 1.00 33.24 H new ATOM 741 N MET A 47 4.298 -17.738 -25.843 1.00 65.22 N ATOM 742 CA MET A 47 3.537 -17.457 -24.632 1.00 32.13 C ATOM 743 C MET A 47 4.159 -18.152 -23.425 1.00 20.12 C ATOM 744 O MET A 47 4.085 -17.652 -22.303 1.00 2.11 O ATOM 745 CB MET A 47 2.084 -17.907 -24.801 1.00 43.31 C ATOM 746 CG MET A 47 1.447 -17.428 -26.095 1.00 51.04 C ATOM 747 SD MET A 47 -0.354 -17.401 -26.014 1.00 71.33 S ATOM 748 CE MET A 47 -0.715 -19.153 -25.926 1.00 71.41 C ATOM 0 H MET A 47 3.771 -18.221 -26.570 1.00 65.22 H new ATOM 0 HA MET A 47 3.559 -16.381 -24.461 1.00 32.13 H new ATOM 0 HB2 MET A 47 2.043 -18.996 -24.766 1.00 43.31 H new ATOM 0 HB3 MET A 47 1.498 -17.539 -23.959 1.00 43.31 H new ATOM 0 HG2 MET A 47 1.811 -16.427 -26.326 1.00 51.04 H new ATOM 0 HG3 MET A 47 1.760 -18.078 -26.912 1.00 51.04 H new ATOM 0 HE1 MET A 47 -1.784 -19.312 -26.067 1.00 71.41 H new ATOM 0 HE2 MET A 47 -0.164 -19.678 -26.706 1.00 71.41 H new ATOM 0 HE3 MET A 47 -0.417 -19.537 -24.951 1.00 71.41 H new ATOM 758 N MET A 48 4.771 -19.307 -23.663 1.00 62.44 N ATOM 759 CA MET A 48 5.407 -20.070 -22.595 1.00 52.20 C ATOM 760 C MET A 48 6.376 -19.196 -21.805 1.00 53.54 C ATOM 761 O MET A 48 6.448 -19.284 -20.580 1.00 45.21 O ATOM 762 CB MET A 48 6.146 -21.278 -23.172 1.00 64.33 C ATOM 763 CG MET A 48 7.091 -21.942 -22.183 1.00 74.22 C ATOM 764 SD MET A 48 6.250 -22.503 -20.690 1.00 2.23 S ATOM 765 CE MET A 48 7.647 -22.836 -19.620 1.00 24.02 C ATOM 0 H MET A 48 4.840 -19.735 -24.586 1.00 62.44 H new ATOM 0 HA MET A 48 4.627 -20.420 -21.919 1.00 52.20 H new ATOM 0 HB2 MET A 48 5.415 -22.012 -23.513 1.00 64.33 H new ATOM 0 HB3 MET A 48 6.713 -20.962 -24.048 1.00 64.33 H new ATOM 0 HG2 MET A 48 7.576 -22.792 -22.664 1.00 74.22 H new ATOM 0 HG3 MET A 48 7.878 -21.239 -21.910 1.00 74.22 H new ATOM 0 HE1 MET A 48 7.374 -22.619 -18.587 1.00 24.02 H new ATOM 0 HE2 MET A 48 7.931 -23.885 -19.708 1.00 24.02 H new ATOM 0 HE3 MET A 48 8.488 -22.207 -19.913 1.00 24.02 H new ATOM 775 N ALA A 49 7.118 -18.352 -22.515 1.00 62.44 N ATOM 776 CA ALA A 49 8.081 -17.461 -21.880 1.00 61.33 C ATOM 777 C ALA A 49 7.412 -16.599 -20.816 1.00 13.22 C ATOM 778 O ALA A 49 8.044 -16.205 -19.835 1.00 33.41 O ATOM 779 CB ALA A 49 8.757 -16.585 -22.924 1.00 44.21 C ATOM 0 H ALA A 49 7.070 -18.267 -23.530 1.00 62.44 H new ATOM 0 HA ALA A 49 8.838 -18.074 -21.390 1.00 61.33 H new ATOM 0 HB1 ALA A 49 9.474 -15.924 -22.436 1.00 44.21 H new ATOM 0 HB2 ALA A 49 9.277 -17.215 -23.646 1.00 44.21 H new ATOM 0 HB3 ALA A 49 8.005 -15.987 -23.439 1.00 44.21 H new ATOM 785 N ILE A 50 6.131 -16.308 -21.016 1.00 52.10 N ATOM 786 CA ILE A 50 5.377 -15.492 -20.073 1.00 33.05 C ATOM 787 C ILE A 50 5.243 -16.192 -18.724 1.00 64.24 C ATOM 788 O ILE A 50 5.037 -15.547 -17.697 1.00 74.12 O ATOM 789 CB ILE A 50 3.971 -15.165 -20.610 1.00 12.34 C ATOM 790 CG1 ILE A 50 4.070 -14.439 -21.953 1.00 65.20 C ATOM 791 CG2 ILE A 50 3.202 -14.323 -19.602 1.00 50.44 C ATOM 792 CD1 ILE A 50 4.751 -13.091 -21.863 1.00 21.41 C ATOM 0 H ILE A 50 5.594 -16.625 -21.823 1.00 52.10 H new ATOM 0 HA ILE A 50 5.933 -14.564 -19.945 1.00 33.05 H new ATOM 0 HB ILE A 50 3.430 -16.099 -20.762 1.00 12.34 H new ATOM 0 HG12 ILE A 50 4.617 -15.067 -22.657 1.00 65.20 H new ATOM 0 HG13 ILE A 50 3.067 -14.304 -22.359 1.00 65.20 H new ATOM 0 HG21 ILE A 50 2.210 -14.100 -19.996 1.00 50.44 H new ATOM 0 HG22 ILE A 50 3.106 -14.874 -18.666 1.00 50.44 H new ATOM 0 HG23 ILE A 50 3.739 -13.392 -19.421 1.00 50.44 H new ATOM 0 HD11 ILE A 50 4.786 -12.634 -22.852 1.00 21.41 H new ATOM 0 HD12 ILE A 50 4.193 -12.446 -21.185 1.00 21.41 H new ATOM 0 HD13 ILE A 50 5.766 -13.220 -21.487 1.00 21.41 H new ATOM 804 N GLU A 51 5.365 -17.516 -18.737 1.00 0.14 N ATOM 805 CA GLU A 51 5.259 -18.303 -17.514 1.00 30.41 C ATOM 806 C GLU A 51 6.586 -18.319 -16.760 1.00 14.21 C ATOM 807 O GLU A 51 6.625 -18.118 -15.546 1.00 41.40 O ATOM 808 CB GLU A 51 4.828 -19.735 -17.839 1.00 33.13 C ATOM 809 CG GLU A 51 3.337 -19.878 -18.096 1.00 30.23 C ATOM 810 CD GLU A 51 2.952 -19.514 -19.516 1.00 43.44 C ATOM 811 OE1 GLU A 51 2.982 -18.311 -19.850 1.00 14.45 O ATOM 812 OE2 GLU A 51 2.622 -20.432 -20.295 1.00 62.43 O ATOM 0 H GLU A 51 5.537 -18.065 -19.579 1.00 0.14 H new ATOM 0 HA GLU A 51 4.505 -17.839 -16.878 1.00 30.41 H new ATOM 0 HB2 GLU A 51 5.374 -20.080 -18.717 1.00 33.13 H new ATOM 0 HB3 GLU A 51 5.110 -20.387 -17.012 1.00 33.13 H new ATOM 0 HG2 GLU A 51 3.034 -20.905 -17.894 1.00 30.23 H new ATOM 0 HG3 GLU A 51 2.790 -19.241 -17.401 1.00 30.23 H new ATOM 819 N VAL A 52 7.671 -18.560 -17.489 1.00 11.14 N ATOM 820 CA VAL A 52 9.000 -18.602 -16.890 1.00 52.52 C ATOM 821 C VAL A 52 9.511 -17.197 -16.590 1.00 25.22 C ATOM 822 O VAL A 52 10.459 -17.022 -15.824 1.00 74.11 O ATOM 823 CB VAL A 52 10.007 -19.317 -17.810 1.00 22.35 C ATOM 824 CG1 VAL A 52 9.700 -20.805 -17.883 1.00 31.34 C ATOM 825 CG2 VAL A 52 9.998 -18.694 -19.197 1.00 51.11 C ATOM 0 H VAL A 52 7.656 -18.729 -18.495 1.00 11.14 H new ATOM 0 HA VAL A 52 8.911 -19.160 -15.958 1.00 52.52 H new ATOM 0 HB VAL A 52 11.005 -19.196 -17.390 1.00 22.35 H new ATOM 0 HG11 VAL A 52 10.422 -21.294 -18.537 1.00 31.34 H new ATOM 0 HG12 VAL A 52 9.763 -21.239 -16.885 1.00 31.34 H new ATOM 0 HG13 VAL A 52 8.695 -20.950 -18.279 1.00 31.34 H new ATOM 0 HG21 VAL A 52 10.716 -19.212 -19.833 1.00 51.11 H new ATOM 0 HG22 VAL A 52 9.001 -18.781 -19.629 1.00 51.11 H new ATOM 0 HG23 VAL A 52 10.271 -17.641 -19.125 1.00 51.11 H new ATOM 835 N GLU A 53 8.878 -16.200 -17.198 1.00 55.52 N ATOM 836 CA GLU A 53 9.270 -14.810 -16.995 1.00 54.24 C ATOM 837 C GLU A 53 8.667 -14.257 -15.707 1.00 52.22 C ATOM 838 O GLU A 53 9.382 -13.755 -14.840 1.00 1.31 O ATOM 839 CB GLU A 53 8.830 -13.954 -18.185 1.00 45.14 C ATOM 840 CG GLU A 53 9.815 -13.970 -19.343 1.00 35.30 C ATOM 841 CD GLU A 53 10.860 -12.877 -19.235 1.00 62.42 C ATOM 842 OE1 GLU A 53 10.486 -11.688 -19.302 1.00 35.21 O ATOM 843 OE2 GLU A 53 12.054 -13.212 -19.084 1.00 31.34 O ATOM 0 H GLU A 53 8.092 -16.328 -17.835 1.00 55.52 H new ATOM 0 HA GLU A 53 10.356 -14.774 -16.912 1.00 54.24 H new ATOM 0 HB2 GLU A 53 7.861 -14.308 -18.538 1.00 45.14 H new ATOM 0 HB3 GLU A 53 8.691 -12.926 -17.851 1.00 45.14 H new ATOM 0 HG2 GLU A 53 10.311 -14.940 -19.379 1.00 35.30 H new ATOM 0 HG3 GLU A 53 9.270 -13.855 -20.280 1.00 35.30 H new ATOM 850 N TYR A 54 7.347 -14.352 -15.590 1.00 62.22 N ATOM 851 CA TYR A 54 6.647 -13.859 -14.410 1.00 71.21 C ATOM 852 C TYR A 54 6.700 -14.881 -13.278 1.00 43.04 C ATOM 853 O TYR A 54 6.598 -14.530 -12.104 1.00 1.51 O ATOM 854 CB TYR A 54 5.191 -13.537 -14.753 1.00 4.44 C ATOM 855 CG TYR A 54 4.976 -12.106 -15.193 1.00 72.43 C ATOM 856 CD1 TYR A 54 5.405 -11.044 -14.407 1.00 74.12 C ATOM 857 CD2 TYR A 54 4.344 -11.818 -16.397 1.00 11.54 C ATOM 858 CE1 TYR A 54 5.209 -9.736 -14.806 1.00 31.04 C ATOM 859 CE2 TYR A 54 4.145 -10.512 -16.804 1.00 23.42 C ATOM 860 CZ TYR A 54 4.579 -9.475 -16.005 1.00 20.23 C ATOM 861 OH TYR A 54 4.383 -8.174 -16.406 1.00 5.52 O ATOM 0 H TYR A 54 6.740 -14.766 -16.298 1.00 62.22 H new ATOM 0 HA TYR A 54 7.145 -12.949 -14.077 1.00 71.21 H new ATOM 0 HB2 TYR A 54 4.856 -14.206 -15.545 1.00 4.44 H new ATOM 0 HB3 TYR A 54 4.568 -13.738 -13.882 1.00 4.44 H new ATOM 0 HD1 TYR A 54 5.900 -11.244 -13.468 1.00 74.12 H new ATOM 0 HD2 TYR A 54 4.003 -12.628 -17.025 1.00 11.54 H new ATOM 0 HE1 TYR A 54 5.547 -8.922 -14.182 1.00 31.04 H new ATOM 0 HE2 TYR A 54 3.652 -10.305 -17.743 1.00 23.42 H new ATOM 0 HH TYR A 54 3.927 -8.164 -17.273 1.00 5.52 H new ATOM 871 N GLY A 55 6.862 -16.150 -13.642 1.00 40.33 N ATOM 872 CA GLY A 55 6.927 -17.204 -12.647 1.00 60.24 C ATOM 873 C GLY A 55 5.558 -17.743 -12.284 1.00 32.34 C ATOM 874 O GLY A 55 5.336 -18.181 -11.154 1.00 60.44 O ATOM 0 H GLY A 55 6.949 -16.466 -14.608 1.00 40.33 H new ATOM 0 HA2 GLY A 55 7.546 -18.018 -13.024 1.00 60.24 H new ATOM 0 HA3 GLY A 55 7.414 -16.823 -11.749 1.00 60.24 H new ATOM 878 N ILE A 56 4.637 -17.710 -13.241 1.00 41.10 N ATOM 879 CA ILE A 56 3.283 -18.198 -13.015 1.00 35.41 C ATOM 880 C ILE A 56 2.897 -19.250 -14.050 1.00 4.11 C ATOM 881 O ILE A 56 3.698 -19.608 -14.914 1.00 40.41 O ATOM 882 CB ILE A 56 2.256 -17.051 -13.058 1.00 72.32 C ATOM 883 CG1 ILE A 56 2.464 -16.199 -14.312 1.00 12.45 C ATOM 884 CG2 ILE A 56 2.364 -16.196 -11.805 1.00 1.21 C ATOM 885 CD1 ILE A 56 1.430 -15.107 -14.478 1.00 41.10 C ATOM 0 H ILE A 56 4.804 -17.350 -14.181 1.00 41.10 H new ATOM 0 HA ILE A 56 3.272 -18.648 -12.022 1.00 35.41 H new ATOM 0 HB ILE A 56 1.255 -17.480 -13.095 1.00 72.32 H new ATOM 0 HG12 ILE A 56 3.455 -15.747 -14.274 1.00 12.45 H new ATOM 0 HG13 ILE A 56 2.442 -16.846 -15.189 1.00 12.45 H new ATOM 0 HG21 ILE A 56 1.632 -15.390 -11.850 1.00 1.21 H new ATOM 0 HG22 ILE A 56 2.172 -16.812 -10.927 1.00 1.21 H new ATOM 0 HG23 ILE A 56 3.366 -15.773 -11.739 1.00 1.21 H new ATOM 0 HD11 ILE A 56 1.639 -14.543 -15.387 1.00 41.10 H new ATOM 0 HD12 ILE A 56 0.438 -15.553 -14.548 1.00 41.10 H new ATOM 0 HD13 ILE A 56 1.467 -14.437 -13.619 1.00 41.10 H new ATOM 897 N ASP A 57 1.666 -19.740 -13.957 1.00 41.13 N ATOM 898 CA ASP A 57 1.173 -20.749 -14.888 1.00 13.34 C ATOM 899 C ASP A 57 -0.073 -20.253 -15.616 1.00 64.22 C ATOM 900 O ASP A 57 -0.966 -19.664 -15.008 1.00 12.33 O ATOM 901 CB ASP A 57 0.861 -22.049 -14.145 1.00 52.11 C ATOM 902 CG ASP A 57 0.008 -22.995 -14.967 1.00 53.12 C ATOM 903 OD1 ASP A 57 0.468 -23.425 -16.046 1.00 5.53 O ATOM 904 OD2 ASP A 57 -1.120 -23.306 -14.532 1.00 33.23 O ATOM 0 H ASP A 57 0.991 -19.455 -13.247 1.00 41.13 H new ATOM 0 HA ASP A 57 1.952 -20.939 -15.626 1.00 13.34 H new ATOM 0 HB2 ASP A 57 1.794 -22.545 -13.878 1.00 52.11 H new ATOM 0 HB3 ASP A 57 0.346 -21.817 -13.213 1.00 52.11 H new ATOM 909 N ILE A 58 -0.124 -20.495 -16.922 1.00 23.53 N ATOM 910 CA ILE A 58 -1.259 -20.074 -17.732 1.00 52.25 C ATOM 911 C ILE A 58 -1.627 -21.139 -18.760 1.00 31.25 C ATOM 912 O ILE A 58 -1.058 -21.210 -19.849 1.00 3.31 O ATOM 913 CB ILE A 58 -0.968 -18.750 -18.464 1.00 61.32 C ATOM 914 CG1 ILE A 58 -0.657 -17.642 -17.456 1.00 35.32 C ATOM 915 CG2 ILE A 58 -2.147 -18.360 -19.342 1.00 54.32 C ATOM 916 CD1 ILE A 58 0.823 -17.414 -17.245 1.00 60.31 C ATOM 0 H ILE A 58 0.608 -20.980 -17.441 1.00 23.53 H new ATOM 0 HA ILE A 58 -2.096 -19.927 -17.049 1.00 52.25 H new ATOM 0 HB ILE A 58 -0.096 -18.889 -19.102 1.00 61.32 H new ATOM 0 HG12 ILE A 58 -1.114 -16.713 -17.797 1.00 35.32 H new ATOM 0 HG13 ILE A 58 -1.118 -17.892 -16.500 1.00 35.32 H new ATOM 0 HG21 ILE A 58 -1.926 -17.423 -19.852 1.00 54.32 H new ATOM 0 HG22 ILE A 58 -2.325 -19.142 -20.080 1.00 54.32 H new ATOM 0 HG23 ILE A 58 -3.036 -18.236 -18.723 1.00 54.32 H new ATOM 0 HD11 ILE A 58 0.968 -16.615 -16.518 1.00 60.31 H new ATOM 0 HD12 ILE A 58 1.283 -18.330 -16.874 1.00 60.31 H new ATOM 0 HD13 ILE A 58 1.286 -17.133 -18.191 1.00 60.31 H new ATOM 928 N PRO A 59 -2.604 -21.988 -18.407 1.00 62.42 N ATOM 929 CA PRO A 59 -3.072 -23.065 -19.285 1.00 40.34 C ATOM 930 C PRO A 59 -3.835 -22.535 -20.495 1.00 64.31 C ATOM 931 O PRO A 59 -4.262 -21.381 -20.515 1.00 11.02 O ATOM 932 CB PRO A 59 -4.001 -23.880 -18.383 1.00 22.43 C ATOM 933 CG PRO A 59 -4.469 -22.915 -17.349 1.00 42.33 C ATOM 934 CD PRO A 59 -3.327 -21.963 -17.124 1.00 45.15 C ATOM 0 HA PRO A 59 -2.245 -23.641 -19.700 1.00 40.34 H new ATOM 0 HB2 PRO A 59 -4.838 -24.293 -18.947 1.00 22.43 H new ATOM 0 HB3 PRO A 59 -3.476 -24.721 -17.930 1.00 22.43 H new ATOM 0 HG2 PRO A 59 -5.359 -22.384 -17.685 1.00 42.33 H new ATOM 0 HG3 PRO A 59 -4.735 -23.430 -16.426 1.00 42.33 H new ATOM 0 HD2 PRO A 59 -3.681 -20.961 -16.882 1.00 45.15 H new ATOM 0 HD3 PRO A 59 -2.692 -22.285 -16.299 1.00 45.15 H new ATOM 942 N ASP A 60 -4.002 -23.386 -21.502 1.00 0.04 N ATOM 943 CA ASP A 60 -4.715 -23.004 -22.715 1.00 40.01 C ATOM 944 C ASP A 60 -6.074 -22.397 -22.379 1.00 25.02 C ATOM 945 O ASP A 60 -6.533 -21.471 -23.047 1.00 11.42 O ATOM 946 CB ASP A 60 -4.897 -24.217 -23.629 1.00 25.03 C ATOM 947 CG ASP A 60 -3.588 -24.929 -23.913 1.00 15.04 C ATOM 948 OD1 ASP A 60 -2.648 -24.270 -24.403 1.00 2.41 O ATOM 949 OD2 ASP A 60 -3.505 -26.145 -23.644 1.00 31.45 O ATOM 0 H ASP A 60 -3.653 -24.345 -21.502 1.00 0.04 H new ATOM 0 HA ASP A 60 -4.120 -22.253 -23.235 1.00 40.01 H new ATOM 0 HB2 ASP A 60 -5.594 -24.915 -23.167 1.00 25.03 H new ATOM 0 HB3 ASP A 60 -5.344 -23.896 -24.570 1.00 25.03 H new ATOM 954 N ASP A 61 -6.711 -22.926 -21.340 1.00 52.14 N ATOM 955 CA ASP A 61 -8.018 -22.436 -20.915 1.00 65.52 C ATOM 956 C ASP A 61 -7.954 -20.953 -20.565 1.00 54.03 C ATOM 957 O ASP A 61 -8.899 -20.206 -20.817 1.00 35.14 O ATOM 958 CB ASP A 61 -8.518 -23.236 -19.712 1.00 35.24 C ATOM 959 CG ASP A 61 -9.151 -24.554 -20.115 1.00 14.43 C ATOM 960 OD1 ASP A 61 -10.041 -24.541 -20.991 1.00 71.12 O ATOM 961 OD2 ASP A 61 -8.756 -25.597 -19.554 1.00 74.13 O ATOM 0 H ASP A 61 -6.344 -23.693 -20.777 1.00 52.14 H new ATOM 0 HA ASP A 61 -8.715 -22.565 -21.743 1.00 65.52 H new ATOM 0 HB2 ASP A 61 -7.685 -23.428 -19.036 1.00 35.24 H new ATOM 0 HB3 ASP A 61 -9.246 -22.641 -19.160 1.00 35.24 H new ATOM 966 N GLU A 62 -6.835 -20.534 -19.983 1.00 61.42 N ATOM 967 CA GLU A 62 -6.650 -19.140 -19.597 1.00 75.43 C ATOM 968 C GLU A 62 -5.685 -18.436 -20.547 1.00 34.13 C ATOM 969 O GLU A 62 -5.230 -17.326 -20.274 1.00 43.14 O ATOM 970 CB GLU A 62 -6.128 -19.050 -18.162 1.00 61.30 C ATOM 971 CG GLU A 62 -6.895 -19.919 -17.179 1.00 63.44 C ATOM 972 CD GLU A 62 -8.314 -19.435 -16.956 1.00 51.23 C ATOM 973 OE1 GLU A 62 -8.714 -18.447 -17.607 1.00 44.21 O ATOM 974 OE2 GLU A 62 -9.026 -20.045 -16.130 1.00 45.55 O ATOM 0 H GLU A 62 -6.043 -21.140 -19.768 1.00 61.42 H new ATOM 0 HA GLU A 62 -7.618 -18.642 -19.655 1.00 75.43 H new ATOM 0 HB2 GLU A 62 -5.078 -19.340 -18.148 1.00 61.30 H new ATOM 0 HB3 GLU A 62 -6.176 -18.013 -17.831 1.00 61.30 H new ATOM 0 HG2 GLU A 62 -6.919 -20.944 -17.548 1.00 63.44 H new ATOM 0 HG3 GLU A 62 -6.367 -19.936 -16.226 1.00 63.44 H new ATOM 981 N ALA A 63 -5.378 -19.091 -21.662 1.00 14.32 N ATOM 982 CA ALA A 63 -4.469 -18.528 -22.652 1.00 53.24 C ATOM 983 C ALA A 63 -5.094 -17.324 -23.349 1.00 42.40 C ATOM 984 O ALA A 63 -4.405 -16.555 -24.022 1.00 31.54 O ATOM 985 CB ALA A 63 -4.079 -19.587 -23.673 1.00 14.20 C ATOM 0 H ALA A 63 -5.746 -20.012 -21.902 1.00 14.32 H new ATOM 0 HA ALA A 63 -3.571 -18.190 -22.134 1.00 53.24 H new ATOM 0 HB1 ALA A 63 -3.400 -19.153 -24.406 1.00 14.20 H new ATOM 0 HB2 ALA A 63 -3.584 -20.416 -23.167 1.00 14.20 H new ATOM 0 HB3 ALA A 63 -4.973 -19.952 -24.178 1.00 14.20 H new ATOM 991 N THR A 64 -6.403 -17.164 -23.185 1.00 14.02 N ATOM 992 CA THR A 64 -7.121 -16.054 -23.799 1.00 72.43 C ATOM 993 C THR A 64 -7.516 -15.012 -22.760 1.00 11.14 C ATOM 994 O THR A 64 -8.380 -14.170 -23.006 1.00 72.11 O ATOM 995 CB THR A 64 -8.388 -16.540 -24.529 1.00 65.15 C ATOM 996 OG1 THR A 64 -9.385 -16.925 -23.577 1.00 21.40 O ATOM 997 CG2 THR A 64 -8.069 -17.715 -25.441 1.00 71.25 C ATOM 0 H THR A 64 -6.988 -17.790 -22.632 1.00 14.02 H new ATOM 0 HA THR A 64 -6.443 -15.602 -24.523 1.00 72.43 H new ATOM 0 HB THR A 64 -8.767 -15.720 -25.138 1.00 65.15 H new ATOM 0 HG1 THR A 64 -10.187 -17.231 -24.049 1.00 21.40 H new ATOM 0 HG21 THR A 64 -8.978 -18.041 -25.946 1.00 71.25 H new ATOM 0 HG22 THR A 64 -7.332 -17.410 -26.183 1.00 71.25 H new ATOM 0 HG23 THR A 64 -7.668 -18.537 -24.848 1.00 71.25 H new ATOM 1005 N LYS A 65 -6.878 -15.072 -21.596 1.00 22.42 N ATOM 1006 CA LYS A 65 -7.161 -14.132 -20.518 1.00 25.32 C ATOM 1007 C LYS A 65 -5.917 -13.326 -20.159 1.00 5.11 C ATOM 1008 O LYS A 65 -5.907 -12.589 -19.173 1.00 2.52 O ATOM 1009 CB LYS A 65 -7.671 -14.879 -19.283 1.00 51.32 C ATOM 1010 CG LYS A 65 -8.664 -15.982 -19.607 1.00 2.13 C ATOM 1011 CD LYS A 65 -9.846 -15.453 -20.402 1.00 4.00 C ATOM 1012 CE LYS A 65 -11.154 -16.073 -19.936 1.00 24.44 C ATOM 1013 NZ LYS A 65 -11.292 -17.484 -20.392 1.00 54.05 N ATOM 0 H LYS A 65 -6.161 -15.763 -21.375 1.00 22.42 H new ATOM 0 HA LYS A 65 -7.932 -13.443 -20.863 1.00 25.32 H new ATOM 0 HB2 LYS A 65 -6.822 -15.310 -18.753 1.00 51.32 H new ATOM 0 HB3 LYS A 65 -8.141 -14.166 -18.606 1.00 51.32 H new ATOM 0 HG2 LYS A 65 -8.165 -16.767 -20.175 1.00 2.13 H new ATOM 0 HG3 LYS A 65 -9.020 -16.435 -18.682 1.00 2.13 H new ATOM 0 HD2 LYS A 65 -9.899 -14.369 -20.299 1.00 4.00 H new ATOM 0 HD3 LYS A 65 -9.698 -15.666 -21.461 1.00 4.00 H new ATOM 0 HE2 LYS A 65 -11.206 -16.036 -18.848 1.00 24.44 H new ATOM 0 HE3 LYS A 65 -11.990 -15.485 -20.315 1.00 24.44 H new ATOM 0 HZ1 LYS A 65 -12.196 -17.871 -20.054 1.00 54.05 H new ATOM 0 HZ2 LYS A 65 -11.268 -17.517 -21.431 1.00 54.05 H new ATOM 0 HZ3 LYS A 65 -10.508 -18.051 -20.009 1.00 54.05 H new ATOM 1027 N ILE A 66 -4.871 -13.470 -20.966 1.00 4.04 N ATOM 1028 CA ILE A 66 -3.623 -12.753 -20.734 1.00 11.43 C ATOM 1029 C ILE A 66 -2.964 -12.356 -22.050 1.00 62.44 C ATOM 1030 O ILE A 66 -1.793 -11.978 -22.082 1.00 65.33 O ATOM 1031 CB ILE A 66 -2.633 -13.597 -19.910 1.00 63.24 C ATOM 1032 CG1 ILE A 66 -1.888 -14.578 -20.818 1.00 71.41 C ATOM 1033 CG2 ILE A 66 -3.364 -14.342 -18.804 1.00 11.25 C ATOM 1034 CD1 ILE A 66 -2.804 -15.407 -21.692 1.00 45.44 C ATOM 0 H ILE A 66 -4.863 -14.077 -21.786 1.00 4.04 H new ATOM 0 HA ILE A 66 -3.876 -11.854 -20.172 1.00 11.43 H new ATOM 0 HB ILE A 66 -1.904 -12.930 -19.451 1.00 63.24 H new ATOM 0 HG12 ILE A 66 -1.199 -14.021 -21.453 1.00 71.41 H new ATOM 0 HG13 ILE A 66 -1.285 -15.245 -20.202 1.00 71.41 H new ATOM 0 HG21 ILE A 66 -2.650 -14.934 -18.231 1.00 11.25 H new ATOM 0 HG22 ILE A 66 -3.854 -13.625 -18.145 1.00 11.25 H new ATOM 0 HG23 ILE A 66 -4.113 -15.002 -19.243 1.00 11.25 H new ATOM 0 HD11 ILE A 66 -2.208 -16.080 -22.309 1.00 45.44 H new ATOM 0 HD12 ILE A 66 -3.476 -15.991 -21.063 1.00 45.44 H new ATOM 0 HD13 ILE A 66 -3.389 -14.748 -22.334 1.00 45.44 H new ATOM 1046 N LYS A 67 -3.724 -12.444 -23.136 1.00 55.33 N ATOM 1047 CA LYS A 67 -3.217 -12.092 -24.457 1.00 2.50 C ATOM 1048 C LYS A 67 -3.081 -10.579 -24.602 1.00 74.24 C ATOM 1049 O LYS A 67 -2.008 -10.069 -24.926 1.00 30.32 O ATOM 1050 CB LYS A 67 -4.144 -12.638 -25.545 1.00 30.12 C ATOM 1051 CG LYS A 67 -3.431 -12.958 -26.847 1.00 52.24 C ATOM 1052 CD LYS A 67 -4.133 -14.069 -27.609 1.00 73.50 C ATOM 1053 CE LYS A 67 -4.078 -13.837 -29.111 1.00 62.22 C ATOM 1054 NZ LYS A 67 -5.291 -14.359 -29.798 1.00 73.44 N ATOM 0 H LYS A 67 -4.695 -12.757 -23.127 1.00 55.33 H new ATOM 0 HA LYS A 67 -2.230 -12.541 -24.571 1.00 2.50 H new ATOM 0 HB2 LYS A 67 -4.631 -13.540 -25.176 1.00 30.12 H new ATOM 0 HB3 LYS A 67 -4.930 -11.909 -25.741 1.00 30.12 H new ATOM 0 HG2 LYS A 67 -3.385 -12.063 -27.467 1.00 52.24 H new ATOM 0 HG3 LYS A 67 -2.403 -13.253 -26.637 1.00 52.24 H new ATOM 0 HD2 LYS A 67 -3.668 -15.025 -27.370 1.00 73.50 H new ATOM 0 HD3 LYS A 67 -5.173 -14.131 -27.287 1.00 73.50 H new ATOM 0 HE2 LYS A 67 -3.979 -12.770 -29.310 1.00 62.22 H new ATOM 0 HE3 LYS A 67 -3.192 -14.321 -29.521 1.00 62.22 H new ATOM 0 HZ1 LYS A 67 -5.006 -14.939 -30.612 1.00 73.44 H new ATOM 0 HZ2 LYS A 67 -5.843 -14.940 -29.135 1.00 73.44 H new ATOM 0 HZ3 LYS A 67 -5.873 -13.563 -30.127 1.00 73.44 H new ATOM 1068 N THR A 68 -4.177 -9.865 -24.360 1.00 65.31 N ATOM 1069 CA THR A 68 -4.180 -8.412 -24.464 1.00 2.43 C ATOM 1070 C THR A 68 -3.463 -7.774 -23.279 1.00 33.43 C ATOM 1071 O THR A 68 -3.509 -8.291 -22.162 1.00 0.50 O ATOM 1072 CB THR A 68 -5.615 -7.857 -24.540 1.00 62.12 C ATOM 1073 OG1 THR A 68 -6.511 -8.716 -23.826 1.00 63.33 O ATOM 1074 CG2 THR A 68 -6.070 -7.731 -25.986 1.00 42.43 C ATOM 0 H THR A 68 -5.073 -10.270 -24.091 1.00 65.31 H new ATOM 0 HA THR A 68 -3.652 -8.160 -25.383 1.00 2.43 H new ATOM 0 HB THR A 68 -5.623 -6.866 -24.085 1.00 62.12 H new ATOM 0 HG1 THR A 68 -7.436 -8.448 -24.008 1.00 63.33 H new ATOM 0 HG21 THR A 68 -7.086 -7.337 -26.015 1.00 42.43 H new ATOM 0 HG22 THR A 68 -5.403 -7.054 -26.520 1.00 42.43 H new ATOM 0 HG23 THR A 68 -6.047 -8.712 -26.461 1.00 42.43 H new ATOM 1082 N VAL A 69 -2.802 -6.649 -23.529 1.00 1.34 N ATOM 1083 CA VAL A 69 -2.077 -5.939 -22.481 1.00 61.42 C ATOM 1084 C VAL A 69 -2.975 -5.664 -21.281 1.00 32.45 C ATOM 1085 O VAL A 69 -2.511 -5.626 -20.141 1.00 34.41 O ATOM 1086 CB VAL A 69 -1.507 -4.605 -22.998 1.00 64.31 C ATOM 1087 CG1 VAL A 69 -0.742 -3.888 -21.896 1.00 32.23 C ATOM 1088 CG2 VAL A 69 -0.617 -4.840 -24.209 1.00 63.32 C ATOM 0 H VAL A 69 -2.753 -6.209 -24.448 1.00 1.34 H new ATOM 0 HA VAL A 69 -1.253 -6.583 -22.174 1.00 61.42 H new ATOM 0 HB VAL A 69 -2.338 -3.969 -23.304 1.00 64.31 H new ATOM 0 HG11 VAL A 69 -0.347 -2.948 -22.280 1.00 32.23 H new ATOM 0 HG12 VAL A 69 -1.412 -3.686 -21.060 1.00 32.23 H new ATOM 0 HG13 VAL A 69 0.082 -4.516 -21.557 1.00 32.23 H new ATOM 0 HG21 VAL A 69 -0.223 -3.887 -24.561 1.00 63.32 H new ATOM 0 HG22 VAL A 69 0.209 -5.494 -23.932 1.00 63.32 H new ATOM 0 HG23 VAL A 69 -1.199 -5.308 -25.003 1.00 63.32 H new ATOM 1098 N SER A 70 -4.264 -5.474 -21.544 1.00 40.40 N ATOM 1099 CA SER A 70 -5.228 -5.199 -20.485 1.00 51.32 C ATOM 1100 C SER A 70 -5.584 -6.475 -19.729 1.00 63.43 C ATOM 1101 O SER A 70 -5.847 -6.445 -18.527 1.00 25.21 O ATOM 1102 CB SER A 70 -6.494 -4.569 -21.070 1.00 31.40 C ATOM 1103 OG SER A 70 -7.297 -3.999 -20.051 1.00 75.24 O ATOM 0 H SER A 70 -4.665 -5.505 -22.481 1.00 40.40 H new ATOM 0 HA SER A 70 -4.772 -4.499 -19.785 1.00 51.32 H new ATOM 0 HB2 SER A 70 -6.221 -3.802 -21.794 1.00 31.40 H new ATOM 0 HB3 SER A 70 -7.066 -5.326 -21.607 1.00 31.40 H new ATOM 0 HG SER A 70 -8.099 -3.602 -20.450 1.00 75.24 H new ATOM 1109 N ASP A 71 -5.590 -7.596 -20.443 1.00 43.42 N ATOM 1110 CA ASP A 71 -5.912 -8.884 -19.841 1.00 62.21 C ATOM 1111 C ASP A 71 -4.686 -9.489 -19.164 1.00 20.11 C ATOM 1112 O ASP A 71 -4.808 -10.327 -18.270 1.00 44.11 O ATOM 1113 CB ASP A 71 -6.451 -9.846 -20.901 1.00 42.02 C ATOM 1114 CG ASP A 71 -7.798 -9.412 -21.445 1.00 62.22 C ATOM 1115 OD1 ASP A 71 -8.342 -8.405 -20.947 1.00 44.42 O ATOM 1116 OD2 ASP A 71 -8.309 -10.081 -22.368 1.00 45.23 O ATOM 0 H ASP A 71 -5.375 -7.638 -21.439 1.00 43.42 H new ATOM 0 HA ASP A 71 -6.680 -8.722 -19.085 1.00 62.21 H new ATOM 0 HB2 ASP A 71 -5.736 -9.916 -21.721 1.00 42.02 H new ATOM 0 HB3 ASP A 71 -6.540 -10.843 -20.471 1.00 42.02 H new ATOM 1121 N VAL A 72 -3.505 -9.060 -19.597 1.00 3.44 N ATOM 1122 CA VAL A 72 -2.256 -9.559 -19.032 1.00 53.43 C ATOM 1123 C VAL A 72 -2.167 -9.256 -17.541 1.00 15.41 C ATOM 1124 O VAL A 72 -2.179 -10.165 -16.711 1.00 32.12 O ATOM 1125 CB VAL A 72 -1.035 -8.946 -19.743 1.00 62.00 C ATOM 1126 CG1 VAL A 72 0.253 -9.367 -19.051 1.00 34.11 C ATOM 1127 CG2 VAL A 72 -1.016 -9.347 -21.210 1.00 55.45 C ATOM 0 H VAL A 72 -3.386 -8.368 -20.337 1.00 3.44 H new ATOM 0 HA VAL A 72 -2.250 -10.639 -19.181 1.00 53.43 H new ATOM 0 HB VAL A 72 -1.112 -7.860 -19.687 1.00 62.00 H new ATOM 0 HG11 VAL A 72 1.105 -8.924 -19.567 1.00 34.11 H new ATOM 0 HG12 VAL A 72 0.238 -9.025 -18.016 1.00 34.11 H new ATOM 0 HG13 VAL A 72 0.340 -10.453 -19.073 1.00 34.11 H new ATOM 0 HG21 VAL A 72 -0.147 -8.905 -21.697 1.00 55.45 H new ATOM 0 HG22 VAL A 72 -0.964 -10.433 -21.290 1.00 55.45 H new ATOM 0 HG23 VAL A 72 -1.924 -8.991 -21.696 1.00 55.45 H new ATOM 1137 N ILE A 73 -2.079 -7.972 -17.208 1.00 32.43 N ATOM 1138 CA ILE A 73 -1.990 -7.550 -15.816 1.00 11.44 C ATOM 1139 C ILE A 73 -3.276 -7.869 -15.061 1.00 22.34 C ATOM 1140 O ILE A 73 -3.242 -8.281 -13.901 1.00 31.41 O ATOM 1141 CB ILE A 73 -1.704 -6.041 -15.703 1.00 5.52 C ATOM 1142 CG1 ILE A 73 -0.540 -5.651 -16.617 1.00 2.45 C ATOM 1143 CG2 ILE A 73 -1.400 -5.665 -14.260 1.00 60.40 C ATOM 1144 CD1 ILE A 73 0.736 -6.410 -16.327 1.00 42.31 C ATOM 0 H ILE A 73 -2.067 -7.207 -17.883 1.00 32.43 H new ATOM 0 HA ILE A 73 -1.163 -8.104 -15.371 1.00 11.44 H new ATOM 0 HB ILE A 73 -2.591 -5.494 -16.021 1.00 5.52 H new ATOM 0 HG12 ILE A 73 -0.829 -5.824 -17.654 1.00 2.45 H new ATOM 0 HG13 ILE A 73 -0.349 -4.583 -16.514 1.00 2.45 H new ATOM 0 HG21 ILE A 73 -1.200 -4.595 -14.197 1.00 60.40 H new ATOM 0 HG22 ILE A 73 -2.256 -5.912 -13.632 1.00 60.40 H new ATOM 0 HG23 ILE A 73 -0.526 -6.218 -13.916 1.00 60.40 H new ATOM 0 HD11 ILE A 73 1.518 -6.083 -17.012 1.00 42.31 H new ATOM 0 HD12 ILE A 73 1.049 -6.217 -15.301 1.00 42.31 H new ATOM 0 HD13 ILE A 73 0.562 -7.478 -16.459 1.00 42.31 H new ATOM 1156 N LYS A 74 -4.410 -7.678 -15.727 1.00 24.24 N ATOM 1157 CA LYS A 74 -5.708 -7.949 -15.121 1.00 51.31 C ATOM 1158 C LYS A 74 -5.773 -9.377 -14.589 1.00 13.43 C ATOM 1159 O LYS A 74 -6.089 -9.600 -13.420 1.00 1.33 O ATOM 1160 CB LYS A 74 -6.827 -7.722 -16.141 1.00 5.33 C ATOM 1161 CG LYS A 74 -8.212 -8.037 -15.604 1.00 11.51 C ATOM 1162 CD LYS A 74 -8.594 -9.484 -15.862 1.00 33.32 C ATOM 1163 CE LYS A 74 -8.943 -10.207 -14.570 1.00 24.52 C ATOM 1164 NZ LYS A 74 -10.043 -11.192 -14.764 1.00 50.34 N ATOM 0 H LYS A 74 -4.456 -7.336 -16.687 1.00 24.24 H new ATOM 0 HA LYS A 74 -5.841 -7.262 -14.285 1.00 51.31 H new ATOM 0 HB2 LYS A 74 -6.802 -6.683 -16.470 1.00 5.33 H new ATOM 0 HB3 LYS A 74 -6.638 -8.340 -17.019 1.00 5.33 H new ATOM 0 HG2 LYS A 74 -8.242 -7.837 -14.533 1.00 11.51 H new ATOM 0 HG3 LYS A 74 -8.943 -7.378 -16.072 1.00 11.51 H new ATOM 0 HD2 LYS A 74 -9.445 -9.521 -16.542 1.00 33.32 H new ATOM 0 HD3 LYS A 74 -7.769 -9.997 -16.356 1.00 33.32 H new ATOM 0 HE2 LYS A 74 -8.059 -10.720 -14.191 1.00 24.52 H new ATOM 0 HE3 LYS A 74 -9.237 -9.478 -13.814 1.00 24.52 H new ATOM 0 HZ1 LYS A 74 -10.251 -11.663 -13.860 1.00 50.34 H new ATOM 0 HZ2 LYS A 74 -10.895 -10.699 -15.101 1.00 50.34 H new ATOM 0 HZ3 LYS A 74 -9.753 -11.902 -15.466 1.00 50.34 H new ATOM 1178 N TYR A 75 -5.472 -10.339 -15.453 1.00 22.54 N ATOM 1179 CA TYR A 75 -5.497 -11.746 -15.069 1.00 52.11 C ATOM 1180 C TYR A 75 -4.306 -12.090 -14.180 1.00 11.32 C ATOM 1181 O TYR A 75 -4.472 -12.592 -13.068 1.00 72.30 O ATOM 1182 CB TYR A 75 -5.493 -12.636 -16.313 1.00 45.33 C ATOM 1183 CG TYR A 75 -5.445 -14.114 -16.000 1.00 71.22 C ATOM 1184 CD1 TYR A 75 -4.236 -14.754 -15.757 1.00 61.21 C ATOM 1185 CD2 TYR A 75 -6.609 -14.871 -15.949 1.00 22.35 C ATOM 1186 CE1 TYR A 75 -4.187 -16.105 -15.471 1.00 54.14 C ATOM 1187 CE2 TYR A 75 -6.570 -16.222 -15.662 1.00 70.11 C ATOM 1188 CZ TYR A 75 -5.357 -16.834 -15.425 1.00 31.45 C ATOM 1189 OH TYR A 75 -5.314 -18.180 -15.140 1.00 71.13 O ATOM 0 H TYR A 75 -5.208 -10.171 -16.424 1.00 22.54 H new ATOM 0 HA TYR A 75 -6.412 -11.926 -14.505 1.00 52.11 H new ATOM 0 HB2 TYR A 75 -6.386 -12.427 -16.902 1.00 45.33 H new ATOM 0 HB3 TYR A 75 -4.635 -12.376 -16.932 1.00 45.33 H new ATOM 0 HD1 TYR A 75 -3.318 -14.186 -15.792 1.00 61.21 H new ATOM 0 HD2 TYR A 75 -7.560 -14.395 -16.137 1.00 22.35 H new ATOM 0 HE1 TYR A 75 -3.239 -16.587 -15.285 1.00 54.14 H new ATOM 0 HE2 TYR A 75 -7.484 -16.796 -15.623 1.00 70.11 H new ATOM 0 HH TYR A 75 -6.141 -18.445 -14.685 1.00 71.13 H new ATOM 1199 N ILE A 76 -3.105 -11.814 -14.678 1.00 35.41 N ATOM 1200 CA ILE A 76 -1.886 -12.092 -13.929 1.00 72.30 C ATOM 1201 C ILE A 76 -1.973 -11.537 -12.511 1.00 74.53 C ATOM 1202 O ILE A 76 -1.353 -12.064 -11.587 1.00 44.43 O ATOM 1203 CB ILE A 76 -0.649 -11.496 -14.626 1.00 71.43 C ATOM 1204 CG1 ILE A 76 -0.360 -12.246 -15.929 1.00 12.24 C ATOM 1205 CG2 ILE A 76 0.557 -11.548 -13.700 1.00 60.14 C ATOM 1206 CD1 ILE A 76 0.714 -11.598 -16.773 1.00 43.52 C ATOM 0 H ILE A 76 -2.950 -11.398 -15.597 1.00 35.41 H new ATOM 0 HA ILE A 76 -1.782 -13.176 -13.887 1.00 72.30 H new ATOM 0 HB ILE A 76 -0.853 -10.453 -14.867 1.00 71.43 H new ATOM 0 HG12 ILE A 76 -0.058 -13.266 -15.692 1.00 12.24 H new ATOM 0 HG13 ILE A 76 -1.279 -12.312 -16.512 1.00 12.24 H new ATOM 0 HG21 ILE A 76 1.423 -11.123 -14.207 1.00 60.14 H new ATOM 0 HG22 ILE A 76 0.347 -10.974 -12.797 1.00 60.14 H new ATOM 0 HG23 ILE A 76 0.765 -12.584 -13.432 1.00 60.14 H new ATOM 0 HD11 ILE A 76 0.866 -12.183 -17.680 1.00 43.52 H new ATOM 0 HD12 ILE A 76 0.406 -10.587 -17.040 1.00 43.52 H new ATOM 0 HD13 ILE A 76 1.645 -11.556 -16.208 1.00 43.52 H new ATOM 1218 N LYS A 77 -2.750 -10.472 -12.346 1.00 4.14 N ATOM 1219 CA LYS A 77 -2.922 -9.846 -11.040 1.00 51.01 C ATOM 1220 C LYS A 77 -3.505 -10.835 -10.035 1.00 40.43 C ATOM 1221 O LYS A 77 -2.840 -11.220 -9.074 1.00 75.11 O ATOM 1222 CB LYS A 77 -3.834 -8.622 -11.155 1.00 23.12 C ATOM 1223 CG LYS A 77 -4.308 -8.089 -9.814 1.00 1.00 C ATOM 1224 CD LYS A 77 -4.949 -6.718 -9.954 1.00 20.51 C ATOM 1225 CE LYS A 77 -3.905 -5.635 -10.177 1.00 70.03 C ATOM 1226 NZ LYS A 77 -3.174 -5.302 -8.923 1.00 62.44 N ATOM 0 H LYS A 77 -3.271 -10.024 -13.100 1.00 4.14 H new ATOM 0 HA LYS A 77 -1.942 -9.529 -10.684 1.00 51.01 H new ATOM 0 HB2 LYS A 77 -3.302 -7.831 -11.683 1.00 23.12 H new ATOM 0 HB3 LYS A 77 -4.702 -8.882 -11.761 1.00 23.12 H new ATOM 0 HG2 LYS A 77 -5.025 -8.784 -9.378 1.00 1.00 H new ATOM 0 HG3 LYS A 77 -3.464 -8.029 -9.127 1.00 1.00 H new ATOM 0 HD2 LYS A 77 -5.650 -6.726 -10.789 1.00 20.51 H new ATOM 0 HD3 LYS A 77 -5.524 -6.491 -9.057 1.00 20.51 H new ATOM 0 HE2 LYS A 77 -3.195 -5.966 -10.934 1.00 70.03 H new ATOM 0 HE3 LYS A 77 -4.389 -4.738 -10.564 1.00 70.03 H new ATOM 0 HZ1 LYS A 77 -2.557 -4.481 -9.088 1.00 62.44 H new ATOM 0 HZ2 LYS A 77 -3.857 -5.076 -8.172 1.00 62.44 H new ATOM 0 HZ3 LYS A 77 -2.596 -6.116 -8.631 1.00 62.44 H new ATOM 1240 N GLU A 78 -4.749 -11.242 -10.266 1.00 14.51 N ATOM 1241 CA GLU A 78 -5.420 -12.186 -9.380 1.00 61.11 C ATOM 1242 C GLU A 78 -4.681 -13.521 -9.349 1.00 12.03 C ATOM 1243 O GLU A 78 -4.755 -14.260 -8.367 1.00 71.42 O ATOM 1244 CB GLU A 78 -6.867 -12.402 -9.829 1.00 44.33 C ATOM 1245 CG GLU A 78 -7.565 -13.540 -9.106 1.00 33.54 C ATOM 1246 CD GLU A 78 -7.375 -13.481 -7.602 1.00 43.45 C ATOM 1247 OE1 GLU A 78 -7.270 -12.359 -7.063 1.00 22.23 O ATOM 1248 OE2 GLU A 78 -7.330 -14.554 -6.966 1.00 71.02 O ATOM 0 H GLU A 78 -5.312 -10.933 -11.058 1.00 14.51 H new ATOM 0 HA GLU A 78 -5.419 -11.765 -8.374 1.00 61.11 H new ATOM 0 HB2 GLU A 78 -7.429 -11.482 -9.669 1.00 44.33 H new ATOM 0 HB3 GLU A 78 -6.880 -12.601 -10.901 1.00 44.33 H new ATOM 0 HG2 GLU A 78 -8.630 -13.512 -9.335 1.00 33.54 H new ATOM 0 HG3 GLU A 78 -7.184 -14.490 -9.479 1.00 33.54 H new ATOM 1255 N ARG A 79 -3.970 -13.822 -10.430 1.00 61.51 N ATOM 1256 CA ARG A 79 -3.219 -15.068 -10.528 1.00 32.41 C ATOM 1257 C ARG A 79 -1.974 -15.023 -9.647 1.00 30.50 C ATOM 1258 O ARG A 79 -1.532 -16.049 -9.129 1.00 10.50 O ATOM 1259 CB ARG A 79 -2.820 -15.335 -11.980 1.00 60.53 C ATOM 1260 CG ARG A 79 -2.681 -16.812 -12.312 1.00 70.30 C ATOM 1261 CD ARG A 79 -1.251 -17.294 -12.121 1.00 34.13 C ATOM 1262 NE ARG A 79 -1.173 -18.749 -12.019 1.00 51.12 N ATOM 1263 CZ ARG A 79 -1.609 -19.437 -10.970 1.00 12.11 C ATOM 1264 NH1 ARG A 79 -2.152 -18.806 -9.938 1.00 50.51 N ATOM 1265 NH2 ARG A 79 -1.503 -20.759 -10.952 1.00 31.44 N ATOM 0 H ARG A 79 -3.898 -13.220 -11.251 1.00 61.51 H new ATOM 0 HA ARG A 79 -3.860 -15.878 -10.180 1.00 32.41 H new ATOM 0 HB2 ARG A 79 -3.565 -14.892 -12.640 1.00 60.53 H new ATOM 0 HB3 ARG A 79 -1.874 -14.834 -12.186 1.00 60.53 H new ATOM 0 HG2 ARG A 79 -3.350 -17.393 -11.677 1.00 70.30 H new ATOM 0 HG3 ARG A 79 -2.990 -16.985 -13.343 1.00 70.30 H new ATOM 0 HD2 ARG A 79 -0.640 -16.956 -12.958 1.00 34.13 H new ATOM 0 HD3 ARG A 79 -0.834 -16.845 -11.220 1.00 34.13 H new ATOM 0 HE ARG A 79 -0.761 -19.265 -12.796 1.00 51.12 H new ATOM 0 HH11 ARG A 79 -2.236 -17.789 -9.948 1.00 50.51 H new ATOM 0 HH12 ARG A 79 -2.486 -19.337 -9.134 1.00 50.51 H new ATOM 0 HH21 ARG A 79 -1.086 -21.248 -11.744 1.00 31.44 H new ATOM 0 HH22 ARG A 79 -1.838 -21.287 -10.146 1.00 31.44 H new ATOM 1279 N GLN A 80 -1.414 -13.829 -9.483 1.00 72.21 N ATOM 1280 CA GLN A 80 -0.220 -13.652 -8.666 1.00 44.21 C ATOM 1281 C GLN A 80 -0.493 -14.027 -7.213 1.00 62.44 C ATOM 1282 O GLN A 80 -1.480 -13.588 -6.623 1.00 45.53 O ATOM 1283 CB GLN A 80 0.270 -12.205 -8.748 1.00 15.32 C ATOM 1284 CG GLN A 80 1.119 -11.918 -9.976 1.00 12.05 C ATOM 1285 CD GLN A 80 2.587 -12.224 -9.754 1.00 10.11 C ATOM 1286 OE1 GLN A 80 3.174 -11.814 -8.752 1.00 41.12 O ATOM 1287 NE2 GLN A 80 3.189 -12.948 -10.690 1.00 71.30 N ATOM 0 H GLN A 80 -1.768 -12.970 -9.905 1.00 72.21 H new ATOM 0 HA GLN A 80 0.555 -14.313 -9.053 1.00 44.21 H new ATOM 0 HB2 GLN A 80 -0.592 -11.538 -8.749 1.00 15.32 H new ATOM 0 HB3 GLN A 80 0.850 -11.975 -7.854 1.00 15.32 H new ATOM 0 HG2 GLN A 80 0.751 -12.510 -10.814 1.00 12.05 H new ATOM 0 HG3 GLN A 80 1.008 -10.870 -10.253 1.00 12.05 H new ATOM 0 HE21 GLN A 80 2.664 -13.267 -11.504 1.00 71.30 H new ATOM 0 HE22 GLN A 80 4.176 -13.185 -10.595 1.00 71.30 H new ATOM 1296 N SER A 81 0.387 -14.844 -6.643 1.00 5.43 N ATOM 1297 CA SER A 81 0.239 -15.282 -5.260 1.00 12.11 C ATOM 1298 C SER A 81 0.954 -14.328 -4.308 1.00 24.42 C ATOM 1299 O SER A 81 1.815 -13.553 -4.721 1.00 23.40 O ATOM 1300 CB SER A 81 0.789 -16.699 -5.090 1.00 24.11 C ATOM 1301 OG SER A 81 0.564 -17.180 -3.776 1.00 2.51 O ATOM 0 H SER A 81 1.210 -15.216 -7.117 1.00 5.43 H new ATOM 0 HA SER A 81 -0.823 -15.281 -5.016 1.00 12.11 H new ATOM 0 HB2 SER A 81 0.315 -17.365 -5.811 1.00 24.11 H new ATOM 0 HB3 SER A 81 1.858 -16.706 -5.305 1.00 24.11 H new ATOM 0 HG SER A 81 0.923 -18.088 -3.694 1.00 2.51 H new TER 1307 SER A 81