USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 699 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 16 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 19 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 15 SER OG : rot 15:sc= -1 USER MOD Set 2.2: A 78 LYS NZ :NH3+ -142:sc= -0.0754 (180deg=-0.845) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -120:sc= -0.0149 USER MOD Single : A 10 ASN : amide:sc= 1.16 K(o=1.2,f=-1.1) USER MOD Single : A 12 ASN : amide:sc= 0.953 K(o=0.95,f=-1.2!) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 MET CE :methyl 162:sc= -1.21 (180deg=-1.96!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0.0183 USER MOD Single : A 34 ASN : amide:sc= 0.431 K(o=0.43,f=-5.9!) USER MOD Single : A 39 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0154) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot -133:sc= 0.826 USER MOD Single : A 44 GLN : amide:sc=-0.00727 X(o=-0.0073,f=-0.23) USER MOD Single : A 46 ASN : amide:sc= 2.18 K(o=2.2,f=-6.6!) USER MOD Single : A 53 GLN : amide:sc= -2.53! K(o=-2.5!,f=-0.053) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.00192 USER MOD Single : A 61 GLN : amide:sc= -0.036 X(o=-0.036,f=0) USER MOD Single : A 64 GLN : amide:sc= -0.491 X(o=-0.49,f=-0.33) USER MOD Single : A 67 GLN : amide:sc=-0.00189 K(o=-0.0019,f=-0.65) USER MOD Single : A 70 HIS : no HD1:sc= -0.134 X(o=-0.13,f=-0.031) USER MOD Single : A 74 THR OG1 : rot -150:sc= -0.0926 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.172 X(o=-0.17,f=0) USER MOD Single : A 86 LYS NZ :NH3+ -151:sc= 1.28 (180deg=1.19) USER MOD Single : A 88 SER OG : rot 180:sc= -0.0763 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.685 17.081 -4.360 1.00 70.41 N ATOM 2 CA GLY A 1 6.314 17.148 -3.037 1.00 3.22 C ATOM 3 C GLY A 1 5.889 15.984 -2.171 1.00 52.14 C ATOM 4 O GLY A 1 4.994 16.119 -1.334 1.00 62.33 O ATOM 0 H1 GLY A 1 5.994 17.892 -4.933 1.00 70.41 H new ATOM 0 H2 GLY A 1 5.963 16.197 -4.832 1.00 70.41 H new ATOM 0 H3 GLY A 1 4.651 17.106 -4.254 1.00 70.41 H new ATOM 0 HA2 GLY A 1 7.398 17.147 -3.146 1.00 3.22 H new ATOM 0 HA3 GLY A 1 6.044 18.085 -2.550 1.00 3.22 H new ATOM 8 N HIS A 2 6.526 14.834 -2.381 1.00 13.32 N ATOM 9 CA HIS A 2 6.506 13.663 -1.521 1.00 22.05 C ATOM 10 C HIS A 2 7.800 12.904 -1.803 1.00 44.53 C ATOM 11 O HIS A 2 8.230 12.822 -2.959 1.00 22.03 O ATOM 12 CB HIS A 2 5.306 12.766 -1.841 1.00 54.23 C ATOM 13 CG HIS A 2 4.134 12.911 -0.906 1.00 2.23 C ATOM 14 ND1 HIS A 2 3.959 12.209 0.264 1.00 45.43 N ATOM 15 CD2 HIS A 2 3.041 13.713 -1.075 1.00 31.12 C ATOM 16 CE1 HIS A 2 2.779 12.578 0.791 1.00 24.04 C ATOM 17 NE2 HIS A 2 2.173 13.479 -0.004 1.00 10.15 N ATOM 0 H HIS A 2 7.104 14.691 -3.209 1.00 13.32 H new ATOM 0 HA HIS A 2 6.423 13.957 -0.475 1.00 22.05 H new ATOM 0 HB2 HIS A 2 4.971 12.982 -2.855 1.00 54.23 H new ATOM 0 HB3 HIS A 2 5.635 11.727 -1.828 1.00 54.23 H new ATOM 0 HD2 HIS A 2 2.877 14.403 -1.889 1.00 31.12 H new ATOM 0 HE1 HIS A 2 2.375 12.205 1.720 1.00 24.04 H new ATOM 0 HE2 HIS A 2 1.259 13.907 0.145 1.00 10.15 H new ATOM 25 N MET A 3 8.404 12.326 -0.769 1.00 70.23 N ATOM 26 CA MET A 3 9.694 11.666 -0.859 1.00 13.24 C ATOM 27 C MET A 3 9.496 10.197 -0.508 1.00 4.14 C ATOM 28 O MET A 3 9.180 9.867 0.634 1.00 1.13 O ATOM 29 CB MET A 3 10.727 12.340 0.053 1.00 31.32 C ATOM 30 CG MET A 3 11.137 13.754 -0.365 1.00 52.24 C ATOM 31 SD MET A 3 9.957 15.109 -0.117 1.00 54.52 S ATOM 32 CE MET A 3 11.142 16.452 -0.373 1.00 45.11 C ATOM 0 H MET A 3 8.001 12.305 0.168 1.00 70.23 H new ATOM 0 HA MET A 3 10.088 11.746 -1.872 1.00 13.24 H new ATOM 0 HB2 MET A 3 10.324 12.379 1.065 1.00 31.32 H new ATOM 0 HB3 MET A 3 11.619 11.715 0.089 1.00 31.32 H new ATOM 0 HG2 MET A 3 12.050 14.007 0.174 1.00 52.24 H new ATOM 0 HG3 MET A 3 11.390 13.726 -1.425 1.00 52.24 H new ATOM 0 HE1 MET A 3 10.634 17.411 -0.267 1.00 45.11 H new ATOM 0 HE2 MET A 3 11.939 16.380 0.367 1.00 45.11 H new ATOM 0 HE3 MET A 3 11.568 16.376 -1.373 1.00 45.11 H new ATOM 42 N ASP A 4 9.688 9.340 -1.511 1.00 74.40 N ATOM 43 CA ASP A 4 9.737 7.888 -1.434 1.00 10.53 C ATOM 44 C ASP A 4 8.424 7.326 -0.878 1.00 21.34 C ATOM 45 O ASP A 4 8.248 7.074 0.316 1.00 50.40 O ATOM 46 CB ASP A 4 10.993 7.389 -0.708 1.00 14.12 C ATOM 47 CG ASP A 4 12.314 8.010 -1.185 1.00 32.41 C ATOM 48 OD1 ASP A 4 13.043 7.365 -1.968 1.00 34.22 O ATOM 49 OD2 ASP A 4 12.594 9.187 -0.853 1.00 12.45 O ATOM 0 H ASP A 4 9.823 9.671 -2.466 1.00 74.40 H new ATOM 0 HA ASP A 4 9.830 7.493 -2.446 1.00 10.53 H new ATOM 0 HB2 ASP A 4 10.880 7.588 0.358 1.00 14.12 H new ATOM 0 HB3 ASP A 4 11.055 6.307 -0.825 1.00 14.12 H new ATOM 54 N THR A 5 7.475 7.126 -1.784 1.00 33.24 N ATOM 55 CA THR A 5 6.083 6.802 -1.491 1.00 50.14 C ATOM 56 C THR A 5 5.777 5.473 -2.169 1.00 24.13 C ATOM 57 O THR A 5 5.703 5.422 -3.399 1.00 33.01 O ATOM 58 CB THR A 5 5.172 7.920 -2.028 1.00 34.41 C ATOM 59 OG1 THR A 5 5.685 9.198 -1.706 1.00 71.00 O ATOM 60 CG2 THR A 5 3.747 7.839 -1.479 1.00 21.03 C ATOM 0 H THR A 5 7.661 7.188 -2.785 1.00 33.24 H new ATOM 0 HA THR A 5 5.909 6.720 -0.418 1.00 50.14 H new ATOM 0 HB THR A 5 5.146 7.777 -3.108 1.00 34.41 H new ATOM 0 HG1 THR A 5 5.032 9.685 -1.161 1.00 71.00 H new ATOM 0 HG21 THR A 5 3.151 8.653 -1.893 1.00 21.03 H new ATOM 0 HG22 THR A 5 3.303 6.884 -1.760 1.00 21.03 H new ATOM 0 HG23 THR A 5 3.770 7.922 -0.392 1.00 21.03 H new ATOM 68 N ILE A 6 5.662 4.391 -1.401 1.00 25.25 N ATOM 69 CA ILE A 6 5.257 3.102 -1.952 1.00 52.13 C ATOM 70 C ILE A 6 3.740 3.185 -2.115 1.00 73.02 C ATOM 71 O ILE A 6 3.036 3.578 -1.181 1.00 65.41 O ATOM 72 CB ILE A 6 5.708 1.926 -1.055 1.00 44.30 C ATOM 73 CG1 ILE A 6 7.216 2.036 -0.731 1.00 14.32 C ATOM 74 CG2 ILE A 6 5.354 0.586 -1.729 1.00 43.43 C ATOM 75 CD1 ILE A 6 7.747 0.902 0.147 1.00 14.31 C ATOM 0 H ILE A 6 5.843 4.383 -0.397 1.00 25.25 H new ATOM 0 HA ILE A 6 5.734 2.902 -2.911 1.00 52.13 H new ATOM 0 HB ILE A 6 5.175 1.970 -0.105 1.00 44.30 H new ATOM 0 HG12 ILE A 6 7.778 2.052 -1.665 1.00 14.32 H new ATOM 0 HG13 ILE A 6 7.401 2.987 -0.231 1.00 14.32 H new ATOM 0 HG21 ILE A 6 5.675 -0.238 -1.091 1.00 43.43 H new ATOM 0 HG22 ILE A 6 4.276 0.529 -1.881 1.00 43.43 H new ATOM 0 HG23 ILE A 6 5.860 0.518 -2.692 1.00 43.43 H new ATOM 0 HD11 ILE A 6 8.811 1.051 0.329 1.00 14.31 H new ATOM 0 HD12 ILE A 6 7.213 0.897 1.097 1.00 14.31 H new ATOM 0 HD13 ILE A 6 7.595 -0.051 -0.359 1.00 14.31 H new ATOM 87 N ILE A 7 3.225 2.847 -3.292 1.00 4.43 N ATOM 88 CA ILE A 7 1.795 2.788 -3.559 1.00 13.42 C ATOM 89 C ILE A 7 1.427 1.306 -3.654 1.00 41.12 C ATOM 90 O ILE A 7 2.183 0.522 -4.223 1.00 73.34 O ATOM 91 CB ILE A 7 1.433 3.618 -4.818 1.00 50.02 C ATOM 92 CG1 ILE A 7 2.014 5.043 -4.717 1.00 61.24 C ATOM 93 CG2 ILE A 7 -0.101 3.645 -4.981 1.00 70.14 C ATOM 94 CD1 ILE A 7 1.673 5.966 -5.892 1.00 45.01 C ATOM 0 H ILE A 7 3.799 2.603 -4.099 1.00 4.43 H new ATOM 0 HA ILE A 7 1.208 3.242 -2.761 1.00 13.42 H new ATOM 0 HB ILE A 7 1.872 3.153 -5.701 1.00 50.02 H new ATOM 0 HG12 ILE A 7 1.652 5.502 -3.797 1.00 61.24 H new ATOM 0 HG13 ILE A 7 3.098 4.972 -4.633 1.00 61.24 H new ATOM 0 HG21 ILE A 7 -0.363 4.227 -5.865 1.00 70.14 H new ATOM 0 HG22 ILE A 7 -0.473 2.627 -5.094 1.00 70.14 H new ATOM 0 HG23 ILE A 7 -0.553 4.100 -4.100 1.00 70.14 H new ATOM 0 HD11 ILE A 7 2.126 6.944 -5.730 1.00 45.01 H new ATOM 0 HD12 ILE A 7 2.059 5.536 -6.816 1.00 45.01 H new ATOM 0 HD13 ILE A 7 0.591 6.075 -5.967 1.00 45.01 H new ATOM 106 N LEU A 8 0.267 0.924 -3.117 1.00 11.44 N ATOM 107 CA LEU A 8 -0.353 -0.367 -3.396 1.00 52.04 C ATOM 108 C LEU A 8 -1.567 -0.148 -4.284 1.00 13.35 C ATOM 109 O LEU A 8 -2.193 0.914 -4.246 1.00 25.11 O ATOM 110 CB LEU A 8 -0.802 -1.093 -2.125 1.00 61.32 C ATOM 111 CG LEU A 8 0.310 -1.574 -1.185 1.00 24.24 C ATOM 112 CD1 LEU A 8 -0.368 -2.358 -0.058 1.00 70.12 C ATOM 113 CD2 LEU A 8 1.361 -2.450 -1.867 1.00 42.40 C ATOM 0 H LEU A 8 -0.269 1.506 -2.474 1.00 11.44 H new ATOM 0 HA LEU A 8 0.395 -0.989 -3.886 1.00 52.04 H new ATOM 0 HB2 LEU A 8 -1.458 -0.427 -1.565 1.00 61.32 H new ATOM 0 HB3 LEU A 8 -1.399 -1.957 -2.418 1.00 61.32 H new ATOM 0 HG LEU A 8 0.853 -0.702 -0.820 1.00 24.24 H new ATOM 0 HD11 LEU A 8 0.388 -2.721 0.638 1.00 70.12 H new ATOM 0 HD12 LEU A 8 -1.065 -1.707 0.470 1.00 70.12 H new ATOM 0 HD13 LEU A 8 -0.910 -3.205 -0.479 1.00 70.12 H new ATOM 0 HD21 LEU A 8 2.113 -2.750 -1.138 1.00 42.40 H new ATOM 0 HD22 LEU A 8 0.882 -3.337 -2.281 1.00 42.40 H new ATOM 0 HD23 LEU A 8 1.838 -1.888 -2.670 1.00 42.40 H new ATOM 125 N ARG A 9 -1.925 -1.186 -5.030 1.00 43.23 N ATOM 126 CA ARG A 9 -2.922 -1.213 -6.097 1.00 2.35 C ATOM 127 C ARG A 9 -3.722 -2.507 -6.001 1.00 31.45 C ATOM 128 O ARG A 9 -3.321 -3.425 -5.282 1.00 23.15 O ATOM 129 CB ARG A 9 -2.170 -1.236 -7.431 1.00 22.35 C ATOM 130 CG ARG A 9 -1.689 0.081 -8.003 1.00 13.33 C ATOM 131 CD ARG A 9 -0.909 -0.237 -9.291 1.00 42.02 C ATOM 132 NE ARG A 9 -1.439 0.501 -10.445 1.00 23.35 N ATOM 133 CZ ARG A 9 -0.813 0.693 -11.608 1.00 45.43 C ATOM 134 NH1 ARG A 9 0.412 0.218 -11.822 1.00 73.41 N ATOM 135 NH2 ARG A 9 -1.430 1.391 -12.552 1.00 30.54 N ATOM 0 H ARG A 9 -1.494 -2.101 -4.896 1.00 43.23 H new ATOM 0 HA ARG A 9 -3.584 -0.351 -6.018 1.00 2.35 H new ATOM 0 HB2 ARG A 9 -1.302 -1.885 -7.313 1.00 22.35 H new ATOM 0 HB3 ARG A 9 -2.819 -1.704 -8.171 1.00 22.35 H new ATOM 0 HG2 ARG A 9 -2.532 0.738 -8.217 1.00 13.33 H new ATOM 0 HG3 ARG A 9 -1.053 0.601 -7.287 1.00 13.33 H new ATOM 0 HD2 ARG A 9 0.142 0.014 -9.151 1.00 42.02 H new ATOM 0 HD3 ARG A 9 -0.957 -1.307 -9.491 1.00 42.02 H new ATOM 0 HE ARG A 9 -2.371 0.904 -10.349 1.00 23.35 H new ATOM 0 HH11 ARG A 9 0.891 -0.305 -11.089 1.00 73.41 H new ATOM 0 HH12 ARG A 9 0.871 0.377 -12.719 1.00 73.41 H new ATOM 0 HH21 ARG A 9 -2.362 1.768 -12.381 1.00 30.54 H new ATOM 0 HH22 ARG A 9 -0.972 1.551 -13.449 1.00 30.54 H new ATOM 149 N ASN A 10 -4.793 -2.601 -6.795 1.00 31.34 N ATOM 150 CA ASN A 10 -5.741 -3.718 -6.813 1.00 24.31 C ATOM 151 C ASN A 10 -6.272 -3.989 -5.400 1.00 74.22 C ATOM 152 O ASN A 10 -6.517 -5.128 -4.995 1.00 62.22 O ATOM 153 CB ASN A 10 -5.160 -4.951 -7.539 1.00 4.21 C ATOM 154 CG ASN A 10 -6.237 -5.993 -7.846 1.00 21.15 C ATOM 155 OD1 ASN A 10 -7.365 -5.645 -8.184 1.00 1.01 O ATOM 156 ND2 ASN A 10 -5.950 -7.272 -7.710 1.00 30.23 N ATOM 0 H ASN A 10 -5.032 -1.873 -7.468 1.00 31.34 H new ATOM 0 HA ASN A 10 -6.612 -3.444 -7.409 1.00 24.31 H new ATOM 0 HB2 ASN A 10 -4.686 -4.635 -8.468 1.00 4.21 H new ATOM 0 HB3 ASN A 10 -4.383 -5.403 -6.922 1.00 4.21 H new ATOM 0 HD21 ASN A 10 -6.666 -7.977 -7.886 1.00 30.23 H new ATOM 0 HD22 ASN A 10 -5.012 -7.557 -7.429 1.00 30.23 H new ATOM 163 N LEU A 11 -6.435 -2.923 -4.613 1.00 23.41 N ATOM 164 CA LEU A 11 -7.005 -2.992 -3.280 1.00 23.52 C ATOM 165 C LEU A 11 -8.511 -3.118 -3.467 1.00 61.32 C ATOM 166 O LEU A 11 -9.134 -2.182 -3.962 1.00 14.02 O ATOM 167 CB LEU A 11 -6.610 -1.750 -2.454 1.00 21.34 C ATOM 168 CG LEU A 11 -5.086 -1.562 -2.265 1.00 1.22 C ATOM 169 CD1 LEU A 11 -4.781 -0.528 -1.184 1.00 24.35 C ATOM 170 CD2 LEU A 11 -4.374 -2.860 -1.887 1.00 72.10 C ATOM 0 H LEU A 11 -6.169 -1.979 -4.894 1.00 23.41 H new ATOM 0 HA LEU A 11 -6.627 -3.846 -2.718 1.00 23.52 H new ATOM 0 HB2 LEU A 11 -7.015 -0.862 -2.940 1.00 21.34 H new ATOM 0 HB3 LEU A 11 -7.079 -1.818 -1.473 1.00 21.34 H new ATOM 0 HG LEU A 11 -4.716 -1.221 -3.232 1.00 1.22 H new ATOM 0 HD11 LEU A 11 -3.702 -0.421 -1.077 1.00 24.35 H new ATOM 0 HD12 LEU A 11 -5.215 0.431 -1.465 1.00 24.35 H new ATOM 0 HD13 LEU A 11 -5.209 -0.855 -0.236 1.00 24.35 H new ATOM 0 HD21 LEU A 11 -3.308 -2.669 -1.767 1.00 72.10 H new ATOM 0 HD22 LEU A 11 -4.782 -3.239 -0.950 1.00 72.10 H new ATOM 0 HD23 LEU A 11 -4.524 -3.600 -2.674 1.00 72.10 H new ATOM 182 N ASN A 12 -9.104 -4.262 -3.106 1.00 63.21 N ATOM 183 CA ASN A 12 -10.545 -4.448 -3.270 1.00 23.41 C ATOM 184 C ASN A 12 -11.209 -3.367 -2.442 1.00 53.44 C ATOM 185 O ASN A 12 -10.717 -3.084 -1.349 1.00 3.04 O ATOM 186 CB ASN A 12 -11.041 -5.803 -2.733 1.00 50.42 C ATOM 187 CG ASN A 12 -11.652 -6.735 -3.767 1.00 11.41 C ATOM 188 OD1 ASN A 12 -11.463 -6.612 -4.973 1.00 12.25 O ATOM 189 ND2 ASN A 12 -12.382 -7.717 -3.300 1.00 24.32 N ATOM 0 H ASN A 12 -8.614 -5.061 -2.704 1.00 63.21 H new ATOM 0 HA ASN A 12 -10.782 -4.407 -4.333 1.00 23.41 H new ATOM 0 HB2 ASN A 12 -10.203 -6.314 -2.259 1.00 50.42 H new ATOM 0 HB3 ASN A 12 -11.782 -5.616 -1.955 1.00 50.42 H new ATOM 0 HD21 ASN A 12 -12.801 -8.391 -3.941 1.00 24.32 H new ATOM 0 HD22 ASN A 12 -12.531 -7.808 -2.295 1.00 24.32 H new ATOM 196 N PRO A 13 -12.341 -2.816 -2.877 1.00 34.42 N ATOM 197 CA PRO A 13 -12.971 -1.713 -2.172 1.00 62.13 C ATOM 198 C PRO A 13 -13.415 -2.105 -0.756 1.00 61.52 C ATOM 199 O PRO A 13 -13.378 -1.256 0.132 1.00 33.34 O ATOM 200 CB PRO A 13 -14.129 -1.315 -3.085 1.00 63.40 C ATOM 201 CG PRO A 13 -14.429 -2.534 -3.948 1.00 32.13 C ATOM 202 CD PRO A 13 -13.075 -3.204 -4.074 1.00 44.21 C ATOM 0 HA PRO A 13 -12.292 -0.879 -1.994 1.00 62.13 H new ATOM 0 HB2 PRO A 13 -15.003 -1.027 -2.501 1.00 63.40 H new ATOM 0 HB3 PRO A 13 -13.861 -0.458 -3.702 1.00 63.40 H new ATOM 0 HG2 PRO A 13 -15.162 -3.190 -3.479 1.00 32.13 H new ATOM 0 HG3 PRO A 13 -14.831 -2.251 -4.921 1.00 32.13 H new ATOM 0 HD2 PRO A 13 -13.177 -4.287 -4.139 1.00 44.21 H new ATOM 0 HD3 PRO A 13 -12.557 -2.878 -4.976 1.00 44.21 H new ATOM 210 N HIS A 14 -13.773 -3.373 -0.523 1.00 53.12 N ATOM 211 CA HIS A 14 -14.117 -3.898 0.797 1.00 30.32 C ATOM 212 C HIS A 14 -12.908 -4.117 1.709 1.00 61.20 C ATOM 213 O HIS A 14 -13.081 -4.315 2.908 1.00 24.12 O ATOM 214 CB HIS A 14 -14.869 -5.223 0.638 1.00 52.13 C ATOM 215 CG HIS A 14 -16.257 -5.003 0.112 1.00 73.20 C ATOM 216 ND1 HIS A 14 -17.274 -4.376 0.796 1.00 65.14 N ATOM 217 CD2 HIS A 14 -16.708 -5.299 -1.143 1.00 25.44 C ATOM 218 CE1 HIS A 14 -18.323 -4.284 -0.034 1.00 50.42 C ATOM 219 NE2 HIS A 14 -18.023 -4.837 -1.225 1.00 22.15 N ATOM 0 H HIS A 14 -13.832 -4.073 -1.262 1.00 53.12 H new ATOM 0 HA HIS A 14 -14.740 -3.142 1.276 1.00 30.32 H new ATOM 0 HB2 HIS A 14 -14.320 -5.876 -0.041 1.00 52.13 H new ATOM 0 HB3 HIS A 14 -14.919 -5.733 1.600 1.00 52.13 H new ATOM 0 HD2 HIS A 14 -16.152 -5.796 -1.924 1.00 25.44 H new ATOM 0 HE1 HIS A 14 -19.271 -3.832 0.216 1.00 50.42 H new ATOM 0 HE2 HIS A 14 -18.640 -4.905 -2.034 1.00 22.15 H new ATOM 227 N SER A 15 -11.688 -4.118 1.175 1.00 64.43 N ATOM 228 CA SER A 15 -10.503 -4.165 2.007 1.00 50.03 C ATOM 229 C SER A 15 -10.260 -2.786 2.620 1.00 30.13 C ATOM 230 O SER A 15 -10.655 -1.761 2.068 1.00 31.51 O ATOM 231 CB SER A 15 -9.317 -4.578 1.135 1.00 73.13 C ATOM 232 OG SER A 15 -9.595 -5.810 0.488 1.00 11.42 O ATOM 0 H SER A 15 -11.502 -4.087 0.173 1.00 64.43 H new ATOM 0 HA SER A 15 -10.630 -4.886 2.814 1.00 50.03 H new ATOM 0 HB2 SER A 15 -9.115 -3.806 0.393 1.00 73.13 H new ATOM 0 HB3 SER A 15 -8.421 -4.674 1.748 1.00 73.13 H new ATOM 0 HG SER A 15 -10.554 -6.003 0.549 1.00 11.42 H new ATOM 238 N THR A 16 -9.488 -2.763 3.689 1.00 14.15 N ATOM 239 CA THR A 16 -8.774 -1.626 4.223 1.00 44.11 C ATOM 240 C THR A 16 -7.364 -2.091 4.571 1.00 34.51 C ATOM 241 O THR A 16 -7.059 -3.292 4.561 1.00 53.21 O ATOM 242 CB THR A 16 -9.515 -1.061 5.450 1.00 13.01 C ATOM 243 OG1 THR A 16 -10.293 -2.029 6.122 1.00 74.40 O ATOM 244 CG2 THR A 16 -10.426 0.062 4.998 1.00 23.45 C ATOM 0 H THR A 16 -9.334 -3.603 4.246 1.00 14.15 H new ATOM 0 HA THR A 16 -8.718 -0.818 3.493 1.00 44.11 H new ATOM 0 HB THR A 16 -8.756 -0.710 6.149 1.00 13.01 H new ATOM 0 HG1 THR A 16 -10.738 -1.615 6.891 1.00 74.40 H new ATOM 0 HG21 THR A 16 -10.956 0.470 5.859 1.00 23.45 H new ATOM 0 HG22 THR A 16 -9.831 0.848 4.533 1.00 23.45 H new ATOM 0 HG23 THR A 16 -11.147 -0.322 4.277 1.00 23.45 H new ATOM 252 N MET A 17 -6.506 -1.141 4.943 1.00 62.13 N ATOM 253 CA MET A 17 -5.195 -1.430 5.491 1.00 72.54 C ATOM 254 C MET A 17 -5.338 -2.330 6.697 1.00 25.34 C ATOM 255 O MET A 17 -4.461 -3.137 6.921 1.00 71.44 O ATOM 256 CB MET A 17 -4.488 -0.151 5.931 1.00 71.41 C ATOM 257 CG MET A 17 -5.164 0.558 7.114 1.00 75.32 C ATOM 258 SD MET A 17 -4.556 2.211 7.466 1.00 22.41 S ATOM 259 CE MET A 17 -5.421 2.482 9.039 1.00 21.41 C ATOM 0 H MET A 17 -6.709 -0.144 4.869 1.00 62.13 H new ATOM 0 HA MET A 17 -4.606 -1.916 4.713 1.00 72.54 H new ATOM 0 HB2 MET A 17 -3.460 -0.391 6.203 1.00 71.41 H new ATOM 0 HB3 MET A 17 -4.442 0.536 5.086 1.00 71.41 H new ATOM 0 HG2 MET A 17 -6.235 0.616 6.918 1.00 75.32 H new ATOM 0 HG3 MET A 17 -5.036 -0.056 8.006 1.00 75.32 H new ATOM 0 HE1 MET A 17 -4.945 3.300 9.580 1.00 21.41 H new ATOM 0 HE2 MET A 17 -6.463 2.735 8.842 1.00 21.41 H new ATOM 0 HE3 MET A 17 -5.375 1.574 9.640 1.00 21.41 H new ATOM 269 N ASP A 18 -6.415 -2.212 7.472 1.00 55.42 N ATOM 270 CA ASP A 18 -6.529 -2.978 8.701 1.00 51.01 C ATOM 271 C ASP A 18 -6.577 -4.473 8.400 1.00 61.40 C ATOM 272 O ASP A 18 -6.092 -5.272 9.199 1.00 32.33 O ATOM 273 CB ASP A 18 -7.745 -2.528 9.514 1.00 40.01 C ATOM 274 CG ASP A 18 -7.306 -2.292 10.954 1.00 62.54 C ATOM 275 OD1 ASP A 18 -7.354 -3.246 11.757 1.00 32.34 O ATOM 276 OD2 ASP A 18 -6.824 -1.168 11.241 1.00 20.53 O ATOM 0 H ASP A 18 -7.207 -1.602 7.271 1.00 55.42 H new ATOM 0 HA ASP A 18 -5.643 -2.790 9.308 1.00 51.01 H new ATOM 0 HB2 ASP A 18 -8.165 -1.615 9.092 1.00 40.01 H new ATOM 0 HB3 ASP A 18 -8.527 -3.286 9.476 1.00 40.01 H new ATOM 281 N SER A 19 -7.090 -4.833 7.219 1.00 50.03 N ATOM 282 CA SER A 19 -7.065 -6.195 6.700 1.00 14.25 C ATOM 283 C SER A 19 -5.673 -6.492 6.140 1.00 53.12 C ATOM 284 O SER A 19 -4.998 -7.418 6.579 1.00 25.21 O ATOM 285 CB SER A 19 -8.129 -6.371 5.601 1.00 32.33 C ATOM 286 OG SER A 19 -9.375 -5.795 5.954 1.00 64.41 O ATOM 0 H SER A 19 -7.542 -4.170 6.589 1.00 50.03 H new ATOM 0 HA SER A 19 -7.290 -6.893 7.507 1.00 14.25 H new ATOM 0 HB2 SER A 19 -7.771 -5.916 4.677 1.00 32.33 H new ATOM 0 HB3 SER A 19 -8.267 -7.433 5.401 1.00 32.33 H new ATOM 0 HG SER A 19 -10.016 -5.931 5.225 1.00 64.41 H new ATOM 292 N ILE A 20 -5.239 -5.693 5.159 1.00 45.41 N ATOM 293 CA ILE A 20 -4.027 -5.943 4.385 1.00 11.13 C ATOM 294 C ILE A 20 -2.811 -6.002 5.317 1.00 1.31 C ATOM 295 O ILE A 20 -1.976 -6.880 5.173 1.00 73.44 O ATOM 296 CB ILE A 20 -3.877 -4.894 3.258 1.00 23.42 C ATOM 297 CG1 ILE A 20 -5.121 -4.844 2.334 1.00 21.14 C ATOM 298 CG2 ILE A 20 -2.628 -5.160 2.395 1.00 23.55 C ATOM 299 CD1 ILE A 20 -5.273 -3.478 1.665 1.00 42.11 C ATOM 0 H ILE A 20 -5.730 -4.844 4.880 1.00 45.41 H new ATOM 0 HA ILE A 20 -4.098 -6.914 3.895 1.00 11.13 H new ATOM 0 HB ILE A 20 -3.772 -3.932 3.760 1.00 23.42 H new ATOM 0 HG12 ILE A 20 -5.038 -5.617 1.570 1.00 21.14 H new ATOM 0 HG13 ILE A 20 -6.016 -5.066 2.916 1.00 21.14 H new ATOM 0 HG21 ILE A 20 -2.557 -4.403 1.614 1.00 23.55 H new ATOM 0 HG22 ILE A 20 -1.737 -5.120 3.022 1.00 23.55 H new ATOM 0 HG23 ILE A 20 -2.705 -6.146 1.937 1.00 23.55 H new ATOM 0 HD11 ILE A 20 -6.156 -3.482 1.026 1.00 42.11 H new ATOM 0 HD12 ILE A 20 -5.382 -2.709 2.429 1.00 42.11 H new ATOM 0 HD13 ILE A 20 -4.389 -3.268 1.062 1.00 42.11 H new ATOM 311 N LEU A 21 -2.697 -5.089 6.277 1.00 34.12 N ATOM 312 CA LEU A 21 -1.583 -5.024 7.218 1.00 63.53 C ATOM 313 C LEU A 21 -1.584 -6.157 8.244 1.00 42.02 C ATOM 314 O LEU A 21 -0.574 -6.336 8.918 1.00 23.11 O ATOM 315 CB LEU A 21 -1.618 -3.695 7.991 1.00 35.11 C ATOM 316 CG LEU A 21 -1.283 -2.446 7.161 1.00 41.14 C ATOM 317 CD1 LEU A 21 -1.534 -1.189 8.000 1.00 21.15 C ATOM 318 CD2 LEU A 21 0.172 -2.441 6.676 1.00 10.04 C ATOM 0 H LEU A 21 -3.392 -4.357 6.426 1.00 34.12 H new ATOM 0 HA LEU A 21 -0.682 -5.114 6.612 1.00 63.53 H new ATOM 0 HB2 LEU A 21 -2.611 -3.570 8.422 1.00 35.11 H new ATOM 0 HB3 LEU A 21 -0.916 -3.758 8.822 1.00 35.11 H new ATOM 0 HG LEU A 21 -1.928 -2.458 6.283 1.00 41.14 H new ATOM 0 HD11 LEU A 21 -1.296 -0.304 7.410 1.00 21.15 H new ATOM 0 HD12 LEU A 21 -2.582 -1.154 8.299 1.00 21.15 H new ATOM 0 HD13 LEU A 21 -0.903 -1.213 8.889 1.00 21.15 H new ATOM 0 HD21 LEU A 21 0.359 -1.538 6.094 1.00 10.04 H new ATOM 0 HD22 LEU A 21 0.842 -2.464 7.535 1.00 10.04 H new ATOM 0 HD23 LEU A 21 0.351 -3.317 6.053 1.00 10.04 H new ATOM 330 N GLY A 22 -2.687 -6.887 8.397 1.00 31.41 N ATOM 331 CA GLY A 22 -2.761 -8.039 9.286 1.00 32.55 C ATOM 332 C GLY A 22 -2.397 -9.350 8.589 1.00 24.53 C ATOM 333 O GLY A 22 -2.094 -10.324 9.275 1.00 30.24 O ATOM 0 H GLY A 22 -3.558 -6.693 7.904 1.00 31.41 H new ATOM 0 HA2 GLY A 22 -2.090 -7.884 10.131 1.00 32.55 H new ATOM 0 HA3 GLY A 22 -3.770 -8.116 9.690 1.00 32.55 H new ATOM 337 N ALA A 23 -2.418 -9.387 7.252 1.00 1.21 N ATOM 338 CA ALA A 23 -2.339 -10.610 6.449 1.00 41.22 C ATOM 339 C ALA A 23 -1.278 -10.544 5.345 1.00 23.15 C ATOM 340 O ALA A 23 -0.961 -11.556 4.725 1.00 34.12 O ATOM 341 CB ALA A 23 -3.711 -10.852 5.825 1.00 32.42 C ATOM 0 H ALA A 23 -2.493 -8.543 6.684 1.00 1.21 H new ATOM 0 HA ALA A 23 -2.044 -11.426 7.108 1.00 41.22 H new ATOM 0 HB1 ALA A 23 -3.681 -11.758 5.220 1.00 32.42 H new ATOM 0 HB2 ALA A 23 -4.454 -10.967 6.614 1.00 32.42 H new ATOM 0 HB3 ALA A 23 -3.979 -10.004 5.195 1.00 32.42 H new ATOM 347 N LEU A 24 -0.774 -9.349 5.046 1.00 71.42 N ATOM 348 CA LEU A 24 0.210 -9.068 4.012 1.00 12.41 C ATOM 349 C LEU A 24 1.358 -8.246 4.608 1.00 65.13 C ATOM 350 O LEU A 24 1.964 -7.415 3.919 1.00 14.31 O ATOM 351 CB LEU A 24 -0.470 -8.334 2.841 1.00 13.15 C ATOM 352 CG LEU A 24 0.010 -8.802 1.452 1.00 23.43 C ATOM 353 CD1 LEU A 24 -0.480 -7.838 0.372 1.00 4.02 C ATOM 354 CD2 LEU A 24 1.520 -8.957 1.274 1.00 71.51 C ATOM 0 H LEU A 24 -1.059 -8.508 5.548 1.00 71.42 H new ATOM 0 HA LEU A 24 0.628 -9.998 3.627 1.00 12.41 H new ATOM 0 HB2 LEU A 24 -1.548 -8.478 2.911 1.00 13.15 H new ATOM 0 HB3 LEU A 24 -0.285 -7.264 2.938 1.00 13.15 H new ATOM 0 HG LEU A 24 -0.417 -9.801 1.359 1.00 23.43 H new ATOM 0 HD11 LEU A 24 -0.135 -8.179 -0.604 1.00 4.02 H new ATOM 0 HD12 LEU A 24 -1.569 -7.805 0.380 1.00 4.02 H new ATOM 0 HD13 LEU A 24 -0.086 -6.841 0.568 1.00 4.02 H new ATOM 0 HD21 LEU A 24 1.734 -9.290 0.259 1.00 71.51 H new ATOM 0 HD22 LEU A 24 2.008 -7.999 1.452 1.00 71.51 H new ATOM 0 HD23 LEU A 24 1.896 -9.693 1.984 1.00 71.51 H new ATOM 366 N ALA A 25 1.661 -8.431 5.892 1.00 53.31 N ATOM 367 CA ALA A 25 2.750 -7.752 6.581 1.00 14.41 C ATOM 368 C ALA A 25 3.766 -8.729 7.197 1.00 30.02 C ATOM 369 O ALA A 25 4.062 -8.622 8.388 1.00 43.34 O ATOM 370 CB ALA A 25 2.143 -6.822 7.612 1.00 41.50 C ATOM 0 H ALA A 25 1.143 -9.072 6.493 1.00 53.31 H new ATOM 0 HA ALA A 25 3.328 -7.174 5.860 1.00 14.41 H new ATOM 0 HB1 ALA A 25 2.938 -6.300 8.144 1.00 41.50 H new ATOM 0 HB2 ALA A 25 1.502 -6.095 7.114 1.00 41.50 H new ATOM 0 HB3 ALA A 25 1.552 -7.401 8.321 1.00 41.50 H new ATOM 376 N PRO A 26 4.352 -9.653 6.417 1.00 34.44 N ATOM 377 CA PRO A 26 5.534 -10.387 6.839 1.00 50.23 C ATOM 378 C PRO A 26 6.820 -9.559 6.677 1.00 32.14 C ATOM 379 O PRO A 26 7.799 -9.855 7.363 1.00 1.24 O ATOM 380 CB PRO A 26 5.582 -11.619 5.939 1.00 54.50 C ATOM 381 CG PRO A 26 4.962 -11.110 4.645 1.00 24.21 C ATOM 382 CD PRO A 26 3.950 -10.068 5.086 1.00 71.41 C ATOM 0 HA PRO A 26 5.475 -10.641 7.897 1.00 50.23 H new ATOM 0 HB2 PRO A 26 6.602 -11.971 5.788 1.00 54.50 H new ATOM 0 HB3 PRO A 26 5.017 -12.451 6.360 1.00 54.50 H new ATOM 0 HG2 PRO A 26 5.716 -10.676 3.988 1.00 24.21 H new ATOM 0 HG3 PRO A 26 4.483 -11.917 4.091 1.00 24.21 H new ATOM 0 HD2 PRO A 26 3.939 -9.221 4.400 1.00 71.41 H new ATOM 0 HD3 PRO A 26 2.942 -10.483 5.095 1.00 71.41 H new ATOM 390 N TYR A 27 6.840 -8.566 5.771 1.00 12.42 N ATOM 391 CA TYR A 27 8.047 -7.849 5.351 1.00 45.50 C ATOM 392 C TYR A 27 7.921 -6.344 5.601 1.00 42.12 C ATOM 393 O TYR A 27 8.809 -5.759 6.218 1.00 1.21 O ATOM 394 CB TYR A 27 8.366 -8.126 3.868 1.00 74.42 C ATOM 395 CG TYR A 27 8.570 -9.590 3.509 1.00 33.04 C ATOM 396 CD1 TYR A 27 7.665 -10.245 2.653 1.00 10.35 C ATOM 397 CD2 TYR A 27 9.659 -10.307 4.036 1.00 45.42 C ATOM 398 CE1 TYR A 27 7.786 -11.621 2.391 1.00 44.20 C ATOM 399 CE2 TYR A 27 9.817 -11.673 3.737 1.00 51.50 C ATOM 400 CZ TYR A 27 8.867 -12.344 2.938 1.00 72.32 C ATOM 401 OH TYR A 27 8.965 -13.689 2.746 1.00 24.04 O ATOM 0 H TYR A 27 5.996 -8.236 5.303 1.00 12.42 H new ATOM 0 HA TYR A 27 8.874 -8.221 5.956 1.00 45.50 H new ATOM 0 HB2 TYR A 27 7.554 -7.729 3.259 1.00 74.42 H new ATOM 0 HB3 TYR A 27 9.266 -7.574 3.598 1.00 74.42 H new ATOM 0 HD1 TYR A 27 6.867 -9.683 2.191 1.00 10.35 H new ATOM 0 HD2 TYR A 27 10.376 -9.808 4.672 1.00 45.42 H new ATOM 0 HE1 TYR A 27 7.055 -12.122 1.774 1.00 44.20 H new ATOM 0 HE2 TYR A 27 10.671 -12.211 4.121 1.00 51.50 H new ATOM 0 HH TYR A 27 9.771 -14.025 3.191 1.00 24.04 H new ATOM 411 N ALA A 28 6.843 -5.706 5.128 1.00 24.44 N ATOM 412 CA ALA A 28 6.556 -4.298 5.386 1.00 44.14 C ATOM 413 C ALA A 28 5.386 -4.236 6.361 1.00 44.23 C ATOM 414 O ALA A 28 4.294 -4.719 6.046 1.00 25.21 O ATOM 415 CB ALA A 28 6.256 -3.552 4.081 1.00 24.02 C ATOM 0 H ALA A 28 6.139 -6.163 4.548 1.00 24.44 H new ATOM 0 HA ALA A 28 7.423 -3.804 5.825 1.00 44.14 H new ATOM 0 HB1 ALA A 28 6.045 -2.505 4.300 1.00 24.02 H new ATOM 0 HB2 ALA A 28 7.119 -3.617 3.418 1.00 24.02 H new ATOM 0 HB3 ALA A 28 5.390 -4.002 3.595 1.00 24.02 H new ATOM 421 N VAL A 29 5.612 -3.671 7.542 1.00 20.33 N ATOM 422 CA VAL A 29 4.764 -3.851 8.711 1.00 75.21 C ATOM 423 C VAL A 29 4.471 -2.463 9.278 1.00 3.42 C ATOM 424 O VAL A 29 5.117 -1.993 10.217 1.00 40.54 O ATOM 425 CB VAL A 29 5.434 -4.829 9.705 1.00 55.54 C ATOM 426 CG1 VAL A 29 4.404 -5.331 10.722 1.00 42.14 C ATOM 427 CG2 VAL A 29 6.079 -6.046 9.013 1.00 2.54 C ATOM 0 H VAL A 29 6.410 -3.060 7.715 1.00 20.33 H new ATOM 0 HA VAL A 29 3.808 -4.315 8.467 1.00 75.21 H new ATOM 0 HB VAL A 29 6.228 -4.269 10.199 1.00 55.54 H new ATOM 0 HG11 VAL A 29 4.885 -6.019 11.418 1.00 42.14 H new ATOM 0 HG12 VAL A 29 3.995 -4.485 11.273 1.00 42.14 H new ATOM 0 HG13 VAL A 29 3.599 -5.847 10.200 1.00 42.14 H new ATOM 0 HG21 VAL A 29 6.532 -6.694 9.764 1.00 2.54 H new ATOM 0 HG22 VAL A 29 5.316 -6.601 8.467 1.00 2.54 H new ATOM 0 HG23 VAL A 29 6.846 -5.705 8.318 1.00 2.54 H new ATOM 437 N LEU A 30 3.557 -1.751 8.618 1.00 31.14 N ATOM 438 CA LEU A 30 3.348 -0.331 8.873 1.00 51.33 C ATOM 439 C LEU A 30 2.546 -0.098 10.152 1.00 4.52 C ATOM 440 O LEU A 30 1.775 -0.951 10.591 1.00 63.11 O ATOM 441 CB LEU A 30 2.648 0.341 7.679 1.00 55.11 C ATOM 442 CG LEU A 30 3.478 0.514 6.392 1.00 64.24 C ATOM 443 CD1 LEU A 30 4.860 1.117 6.658 1.00 60.10 C ATOM 444 CD2 LEU A 30 3.637 -0.759 5.555 1.00 54.44 C ATOM 0 H LEU A 30 2.947 -2.140 7.899 1.00 31.14 H new ATOM 0 HA LEU A 30 4.331 0.121 9.007 1.00 51.33 H new ATOM 0 HB2 LEU A 30 1.760 -0.242 7.434 1.00 55.11 H new ATOM 0 HB3 LEU A 30 2.305 1.326 7.997 1.00 55.11 H new ATOM 0 HG LEU A 30 2.883 1.213 5.804 1.00 64.24 H new ATOM 0 HD11 LEU A 30 5.401 1.216 5.717 1.00 60.10 H new ATOM 0 HD12 LEU A 30 4.746 2.099 7.117 1.00 60.10 H new ATOM 0 HD13 LEU A 30 5.418 0.465 7.330 1.00 60.10 H new ATOM 0 HD21 LEU A 30 4.235 -0.540 4.670 1.00 54.44 H new ATOM 0 HD22 LEU A 30 4.135 -1.525 6.149 1.00 54.44 H new ATOM 0 HD23 LEU A 30 2.654 -1.118 5.249 1.00 54.44 H new ATOM 456 N SER A 31 2.640 1.123 10.679 1.00 63.41 N ATOM 457 CA SER A 31 1.948 1.614 11.868 1.00 32.44 C ATOM 458 C SER A 31 0.548 2.147 11.513 1.00 43.42 C ATOM 459 O SER A 31 0.010 2.996 12.219 1.00 62.13 O ATOM 460 CB SER A 31 2.838 2.703 12.507 1.00 73.41 C ATOM 461 OG SER A 31 3.299 2.296 13.781 1.00 72.42 O ATOM 0 H SER A 31 3.237 1.837 10.262 1.00 63.41 H new ATOM 0 HA SER A 31 1.789 0.805 12.581 1.00 32.44 H new ATOM 0 HB2 SER A 31 3.688 2.910 11.857 1.00 73.41 H new ATOM 0 HB3 SER A 31 2.274 3.631 12.600 1.00 73.41 H new ATOM 0 HG SER A 31 3.862 3.000 14.166 1.00 72.42 H new ATOM 467 N SER A 32 -0.047 1.678 10.409 1.00 60.30 N ATOM 468 CA SER A 32 -1.352 2.059 9.868 1.00 4.01 C ATOM 469 C SER A 32 -1.502 3.535 9.459 1.00 75.34 C ATOM 470 O SER A 32 -1.929 3.792 8.332 1.00 12.41 O ATOM 471 CB SER A 32 -2.454 1.614 10.828 1.00 63.34 C ATOM 472 OG SER A 32 -2.486 0.203 10.917 1.00 34.55 O ATOM 0 H SER A 32 0.407 0.971 9.830 1.00 60.30 H new ATOM 0 HA SER A 32 -1.447 1.531 8.919 1.00 4.01 H new ATOM 0 HB2 SER A 32 -2.282 2.044 11.815 1.00 63.34 H new ATOM 0 HB3 SER A 32 -3.419 1.986 10.483 1.00 63.34 H new ATOM 0 HG SER A 32 -3.195 -0.070 11.536 1.00 34.55 H new ATOM 478 N SER A 33 -1.146 4.524 10.279 1.00 73.11 N ATOM 479 CA SER A 33 -1.173 5.937 9.896 1.00 40.14 C ATOM 480 C SER A 33 -0.286 6.218 8.680 1.00 41.11 C ATOM 481 O SER A 33 -0.556 7.145 7.914 1.00 13.42 O ATOM 482 CB SER A 33 -0.727 6.817 11.062 1.00 43.01 C ATOM 483 OG SER A 33 0.364 6.253 11.775 1.00 71.22 O ATOM 0 H SER A 33 -0.828 4.366 11.235 1.00 73.11 H new ATOM 0 HA SER A 33 -2.203 6.175 9.629 1.00 40.14 H new ATOM 0 HB2 SER A 33 -0.443 7.800 10.685 1.00 43.01 H new ATOM 0 HB3 SER A 33 -1.565 6.967 11.743 1.00 43.01 H new ATOM 0 HG SER A 33 0.617 6.849 12.510 1.00 71.22 H new ATOM 489 N ASN A 34 0.750 5.399 8.470 1.00 73.43 N ATOM 490 CA ASN A 34 1.618 5.471 7.298 1.00 31.25 C ATOM 491 C ASN A 34 0.837 5.247 6.010 1.00 53.43 C ATOM 492 O ASN A 34 1.324 5.648 4.959 1.00 22.33 O ATOM 493 CB ASN A 34 2.707 4.387 7.351 1.00 34.05 C ATOM 494 CG ASN A 34 3.465 4.385 8.655 1.00 34.21 C ATOM 495 OD1 ASN A 34 3.101 3.629 9.540 1.00 54.41 O ATOM 496 ND2 ASN A 34 4.475 5.216 8.802 1.00 0.54 N ATOM 0 H ASN A 34 1.010 4.658 9.121 1.00 73.43 H new ATOM 0 HA ASN A 34 2.059 6.468 7.308 1.00 31.25 H new ATOM 0 HB2 ASN A 34 2.248 3.410 7.201 1.00 34.05 H new ATOM 0 HB3 ASN A 34 3.407 4.540 6.529 1.00 34.05 H new ATOM 0 HD21 ASN A 34 4.987 5.245 9.683 1.00 0.54 H new ATOM 0 HD22 ASN A 34 4.745 5.831 8.034 1.00 0.54 H new ATOM 503 N VAL A 35 -0.304 4.553 6.065 1.00 33.34 N ATOM 504 CA VAL A 35 -1.011 4.022 4.912 1.00 4.21 C ATOM 505 C VAL A 35 -2.241 4.888 4.644 1.00 33.11 C ATOM 506 O VAL A 35 -3.316 4.692 5.219 1.00 23.31 O ATOM 507 CB VAL A 35 -1.335 2.527 5.107 1.00 1.22 C ATOM 508 CG1 VAL A 35 -1.861 1.945 3.789 1.00 62.31 C ATOM 509 CG2 VAL A 35 -0.101 1.723 5.547 1.00 64.40 C ATOM 0 H VAL A 35 -0.771 4.342 6.947 1.00 33.34 H new ATOM 0 HA VAL A 35 -0.381 4.066 4.024 1.00 4.21 H new ATOM 0 HB VAL A 35 -2.087 2.452 5.892 1.00 1.22 H new ATOM 0 HG11 VAL A 35 -2.091 0.888 3.924 1.00 62.31 H new ATOM 0 HG12 VAL A 35 -2.764 2.478 3.491 1.00 62.31 H new ATOM 0 HG13 VAL A 35 -1.102 2.055 3.014 1.00 62.31 H new ATOM 0 HG21 VAL A 35 -0.375 0.675 5.672 1.00 64.40 H new ATOM 0 HG22 VAL A 35 0.677 1.806 4.788 1.00 64.40 H new ATOM 0 HG23 VAL A 35 0.271 2.116 6.493 1.00 64.40 H new ATOM 519 N ARG A 36 -2.092 5.862 3.751 1.00 25.34 N ATOM 520 CA ARG A 36 -3.157 6.725 3.262 1.00 65.42 C ATOM 521 C ARG A 36 -4.170 5.906 2.444 1.00 11.31 C ATOM 522 O ARG A 36 -4.031 5.806 1.224 1.00 73.30 O ATOM 523 CB ARG A 36 -2.523 7.925 2.506 1.00 50.01 C ATOM 524 CG ARG A 36 -2.653 9.249 3.278 1.00 31.52 C ATOM 525 CD ARG A 36 -4.044 9.875 3.090 1.00 24.42 C ATOM 526 NE ARG A 36 -4.046 10.982 2.121 1.00 24.12 N ATOM 527 CZ ARG A 36 -5.142 11.570 1.630 1.00 5.33 C ATOM 528 NH1 ARG A 36 -6.350 11.294 2.113 1.00 25.53 N ATOM 529 NH2 ARG A 36 -5.018 12.445 0.645 1.00 34.41 N ATOM 0 H ARG A 36 -1.187 6.079 3.332 1.00 25.34 H new ATOM 0 HA ARG A 36 -3.736 7.149 4.082 1.00 65.42 H new ATOM 0 HB2 ARG A 36 -1.469 7.718 2.323 1.00 50.01 H new ATOM 0 HB3 ARG A 36 -3.001 8.029 1.532 1.00 50.01 H new ATOM 0 HG2 ARG A 36 -2.472 9.073 4.338 1.00 31.52 H new ATOM 0 HG3 ARG A 36 -1.889 9.947 2.936 1.00 31.52 H new ATOM 0 HD2 ARG A 36 -4.741 9.106 2.757 1.00 24.42 H new ATOM 0 HD3 ARG A 36 -4.406 10.239 4.051 1.00 24.42 H new ATOM 0 HE ARG A 36 -3.142 11.328 1.799 1.00 24.12 H new ATOM 0 HH11 ARG A 36 -6.454 10.622 2.873 1.00 25.53 H new ATOM 0 HH12 ARG A 36 -7.172 11.754 1.723 1.00 25.53 H new ATOM 0 HH21 ARG A 36 -4.095 12.663 0.270 1.00 34.41 H new ATOM 0 HH22 ARG A 36 -5.846 12.901 0.261 1.00 34.41 H new ATOM 543 N VAL A 37 -5.167 5.302 3.100 1.00 4.21 N ATOM 544 CA VAL A 37 -6.336 4.666 2.495 1.00 64.34 C ATOM 545 C VAL A 37 -7.438 5.718 2.437 1.00 44.34 C ATOM 546 O VAL A 37 -8.234 5.869 3.366 1.00 30.34 O ATOM 547 CB VAL A 37 -6.796 3.423 3.287 1.00 11.15 C ATOM 548 CG1 VAL A 37 -7.955 2.691 2.596 1.00 61.24 C ATOM 549 CG2 VAL A 37 -5.677 2.399 3.481 1.00 44.22 C ATOM 0 H VAL A 37 -5.178 5.242 4.118 1.00 4.21 H new ATOM 0 HA VAL A 37 -6.088 4.306 1.496 1.00 64.34 H new ATOM 0 HB VAL A 37 -7.113 3.817 4.252 1.00 11.15 H new ATOM 0 HG11 VAL A 37 -8.244 1.824 3.190 1.00 61.24 H new ATOM 0 HG12 VAL A 37 -8.806 3.365 2.501 1.00 61.24 H new ATOM 0 HG13 VAL A 37 -7.639 2.363 1.606 1.00 61.24 H new ATOM 0 HG21 VAL A 37 -6.057 1.547 4.044 1.00 44.22 H new ATOM 0 HG22 VAL A 37 -5.320 2.061 2.508 1.00 44.22 H new ATOM 0 HG23 VAL A 37 -4.855 2.858 4.030 1.00 44.22 H new ATOM 559 N ILE A 38 -7.486 6.467 1.342 1.00 54.21 N ATOM 560 CA ILE A 38 -8.545 7.439 1.128 1.00 14.01 C ATOM 561 C ILE A 38 -9.829 6.665 0.823 1.00 70.21 C ATOM 562 O ILE A 38 -9.863 5.895 -0.145 1.00 22.55 O ATOM 563 CB ILE A 38 -8.218 8.421 -0.009 1.00 10.24 C ATOM 564 CG1 ILE A 38 -6.716 8.720 -0.180 1.00 72.14 C ATOM 565 CG2 ILE A 38 -8.992 9.722 0.235 1.00 11.12 C ATOM 566 CD1 ILE A 38 -6.120 7.791 -1.244 1.00 50.24 C ATOM 0 H ILE A 38 -6.801 6.418 0.588 1.00 54.21 H new ATOM 0 HA ILE A 38 -8.661 8.047 2.025 1.00 14.01 H new ATOM 0 HB ILE A 38 -8.522 7.943 -0.940 1.00 10.24 H new ATOM 0 HG12 ILE A 38 -6.574 9.761 -0.472 1.00 72.14 H new ATOM 0 HG13 ILE A 38 -6.198 8.581 0.769 1.00 72.14 H new ATOM 0 HG21 ILE A 38 -8.772 10.431 -0.563 1.00 11.12 H new ATOM 0 HG22 ILE A 38 -10.061 9.512 0.249 1.00 11.12 H new ATOM 0 HG23 ILE A 38 -8.693 10.149 1.193 1.00 11.12 H new ATOM 0 HD11 ILE A 38 -5.058 8.006 -1.361 1.00 50.24 H new ATOM 0 HD12 ILE A 38 -6.248 6.754 -0.934 1.00 50.24 H new ATOM 0 HD13 ILE A 38 -6.630 7.952 -2.194 1.00 50.24 H new ATOM 578 N LYS A 39 -10.879 6.865 1.623 1.00 51.20 N ATOM 579 CA LYS A 39 -12.190 6.328 1.279 1.00 24.12 C ATOM 580 C LYS A 39 -12.837 7.148 0.167 1.00 73.20 C ATOM 581 O LYS A 39 -12.547 8.348 0.022 1.00 24.54 O ATOM 582 CB LYS A 39 -13.107 6.224 2.507 1.00 3.35 C ATOM 583 CG LYS A 39 -12.614 5.179 3.518 1.00 5.14 C ATOM 584 CD LYS A 39 -11.804 5.729 4.704 1.00 42.23 C ATOM 585 CE LYS A 39 -11.612 4.628 5.760 1.00 11.34 C ATOM 586 NZ LYS A 39 -12.825 4.411 6.583 1.00 4.05 N ATOM 0 H LYS A 39 -10.846 7.387 2.499 1.00 51.20 H new ATOM 0 HA LYS A 39 -12.043 5.314 0.908 1.00 24.12 H new ATOM 0 HB2 LYS A 39 -13.168 7.197 2.995 1.00 3.35 H new ATOM 0 HB3 LYS A 39 -14.115 5.965 2.183 1.00 3.35 H new ATOM 0 HG2 LYS A 39 -13.479 4.643 3.910 1.00 5.14 H new ATOM 0 HG3 LYS A 39 -12.000 4.450 2.989 1.00 5.14 H new ATOM 0 HD2 LYS A 39 -10.834 6.087 4.359 1.00 42.23 H new ATOM 0 HD3 LYS A 39 -12.321 6.582 5.144 1.00 42.23 H new ATOM 0 HE2 LYS A 39 -11.343 3.696 5.263 1.00 11.34 H new ATOM 0 HE3 LYS A 39 -10.779 4.895 6.410 1.00 11.34 H new ATOM 0 HZ1 LYS A 39 -12.612 3.734 7.343 1.00 4.05 H new ATOM 0 HZ2 LYS A 39 -13.128 5.314 6.999 1.00 4.05 H new ATOM 0 HZ3 LYS A 39 -13.587 4.032 5.985 1.00 4.05 H new ATOM 600 N ASP A 40 -13.744 6.526 -0.581 1.00 70.51 N ATOM 601 CA ASP A 40 -14.677 7.189 -1.472 1.00 65.12 C ATOM 602 C ASP A 40 -15.735 7.951 -0.658 1.00 71.12 C ATOM 603 O ASP A 40 -15.944 7.662 0.526 1.00 4.42 O ATOM 604 CB ASP A 40 -15.416 6.120 -2.274 1.00 62.41 C ATOM 605 CG ASP A 40 -14.685 5.430 -3.410 1.00 23.11 C ATOM 606 OD1 ASP A 40 -15.388 4.745 -4.197 1.00 41.03 O ATOM 607 OD2 ASP A 40 -13.466 5.641 -3.564 1.00 24.22 O ATOM 0 H ASP A 40 -13.849 5.511 -0.580 1.00 70.51 H new ATOM 0 HA ASP A 40 -14.127 7.876 -2.115 1.00 65.12 H new ATOM 0 HB2 ASP A 40 -15.744 5.350 -1.576 1.00 62.41 H new ATOM 0 HB3 ASP A 40 -16.314 6.579 -2.688 1.00 62.41 H new ATOM 612 N LYS A 41 -16.493 8.849 -1.306 1.00 44.42 N ATOM 613 CA LYS A 41 -17.565 9.639 -0.677 1.00 11.33 C ATOM 614 C LYS A 41 -18.965 9.308 -1.190 1.00 11.31 C ATOM 615 O LYS A 41 -19.903 10.052 -0.908 1.00 52.03 O ATOM 616 CB LYS A 41 -17.288 11.144 -0.859 1.00 63.41 C ATOM 617 CG LYS A 41 -16.042 11.623 -0.099 1.00 72.20 C ATOM 618 CD LYS A 41 -15.994 13.156 -0.010 1.00 14.43 C ATOM 619 CE LYS A 41 -16.961 13.688 1.060 1.00 74.21 C ATOM 620 NZ LYS A 41 -16.872 15.152 1.233 1.00 20.24 N ATOM 0 H LYS A 41 -16.377 9.051 -2.299 1.00 44.42 H new ATOM 0 HA LYS A 41 -17.554 9.371 0.379 1.00 11.33 H new ATOM 0 HB2 LYS A 41 -17.164 11.359 -1.920 1.00 63.41 H new ATOM 0 HB3 LYS A 41 -18.154 11.711 -0.518 1.00 63.41 H new ATOM 0 HG2 LYS A 41 -16.041 11.199 0.905 1.00 72.20 H new ATOM 0 HG3 LYS A 41 -15.146 11.258 -0.600 1.00 72.20 H new ATOM 0 HD2 LYS A 41 -14.979 13.476 0.224 1.00 14.43 H new ATOM 0 HD3 LYS A 41 -16.249 13.586 -0.979 1.00 14.43 H new ATOM 0 HE2 LYS A 41 -17.982 13.420 0.787 1.00 74.21 H new ATOM 0 HE3 LYS A 41 -16.747 13.200 2.011 1.00 74.21 H new ATOM 0 HZ1 LYS A 41 -17.545 15.457 1.965 1.00 20.24 H new ATOM 0 HZ2 LYS A 41 -15.906 15.409 1.521 1.00 20.24 H new ATOM 0 HZ3 LYS A 41 -17.102 15.622 0.334 1.00 20.24 H new ATOM 634 N GLN A 42 -19.149 8.199 -1.899 1.00 21.12 N ATOM 635 CA GLN A 42 -20.485 7.717 -2.250 1.00 50.34 C ATOM 636 C GLN A 42 -20.605 6.267 -1.830 1.00 12.14 C ATOM 637 O GLN A 42 -21.512 5.920 -1.077 1.00 51.33 O ATOM 638 CB GLN A 42 -20.795 7.960 -3.724 1.00 62.54 C ATOM 639 CG GLN A 42 -21.216 9.418 -3.965 1.00 50.04 C ATOM 640 CD GLN A 42 -21.196 9.799 -5.438 1.00 71.31 C ATOM 641 OE1 GLN A 42 -22.229 10.046 -6.052 1.00 62.51 O ATOM 642 NE2 GLN A 42 -20.016 9.894 -6.025 1.00 61.24 N ATOM 0 H GLN A 42 -18.388 7.614 -2.244 1.00 21.12 H new ATOM 0 HA GLN A 42 -21.245 8.282 -1.709 1.00 50.34 H new ATOM 0 HB2 GLN A 42 -19.918 7.727 -4.327 1.00 62.54 H new ATOM 0 HB3 GLN A 42 -21.591 7.290 -4.047 1.00 62.54 H new ATOM 0 HG2 GLN A 42 -22.219 9.573 -3.567 1.00 50.04 H new ATOM 0 HG3 GLN A 42 -20.549 10.080 -3.413 1.00 50.04 H new ATOM 0 HE21 GLN A 42 -19.167 9.685 -5.500 1.00 61.24 H new ATOM 0 HE22 GLN A 42 -19.954 10.176 -7.003 1.00 61.24 H new ATOM 651 N THR A 43 -19.653 5.434 -2.230 1.00 41.02 N ATOM 652 CA THR A 43 -19.708 4.009 -1.947 1.00 62.15 C ATOM 653 C THR A 43 -19.324 3.700 -0.494 1.00 31.53 C ATOM 654 O THR A 43 -19.648 2.624 0.009 1.00 21.41 O ATOM 655 CB THR A 43 -18.751 3.305 -2.910 1.00 53.20 C ATOM 656 OG1 THR A 43 -17.458 3.816 -2.659 1.00 21.15 O ATOM 657 CG2 THR A 43 -19.121 3.479 -4.384 1.00 4.15 C ATOM 0 H THR A 43 -18.828 5.725 -2.755 1.00 41.02 H new ATOM 0 HA THR A 43 -20.729 3.653 -2.084 1.00 62.15 H new ATOM 0 HB THR A 43 -18.806 2.231 -2.731 1.00 53.20 H new ATOM 0 HG1 THR A 43 -17.024 4.039 -3.509 1.00 21.15 H new ATOM 0 HG21 THR A 43 -18.397 2.952 -5.006 1.00 4.15 H new ATOM 0 HG22 THR A 43 -20.116 3.070 -4.560 1.00 4.15 H new ATOM 0 HG23 THR A 43 -19.114 4.539 -4.638 1.00 4.15 H new ATOM 665 N GLN A 44 -18.627 4.634 0.172 1.00 11.34 N ATOM 666 CA GLN A 44 -18.012 4.492 1.491 1.00 21.53 C ATOM 667 C GLN A 44 -16.916 3.409 1.534 1.00 74.21 C ATOM 668 O GLN A 44 -16.528 2.964 2.617 1.00 32.23 O ATOM 669 CB GLN A 44 -19.093 4.281 2.574 1.00 41.41 C ATOM 670 CG GLN A 44 -20.237 5.306 2.573 1.00 52.32 C ATOM 671 CD GLN A 44 -19.759 6.753 2.707 1.00 14.33 C ATOM 672 OE1 GLN A 44 -18.774 7.037 3.390 1.00 61.32 O ATOM 673 NE2 GLN A 44 -20.428 7.688 2.057 1.00 1.20 N ATOM 0 H GLN A 44 -18.471 5.561 -0.223 1.00 11.34 H new ATOM 0 HA GLN A 44 -17.496 5.427 1.709 1.00 21.53 H new ATOM 0 HB2 GLN A 44 -19.520 3.286 2.448 1.00 41.41 H new ATOM 0 HB3 GLN A 44 -18.612 4.300 3.552 1.00 41.41 H new ATOM 0 HG2 GLN A 44 -20.805 5.203 1.649 1.00 52.32 H new ATOM 0 HG3 GLN A 44 -20.918 5.079 3.393 1.00 52.32 H new ATOM 0 HE21 GLN A 44 -21.242 7.436 1.496 1.00 1.20 H new ATOM 0 HE22 GLN A 44 -20.131 8.662 2.116 1.00 1.20 H new ATOM 682 N LEU A 45 -16.426 2.967 0.376 1.00 13.21 N ATOM 683 CA LEU A 45 -15.360 1.978 0.224 1.00 62.54 C ATOM 684 C LEU A 45 -14.020 2.699 0.070 1.00 4.03 C ATOM 685 O LEU A 45 -13.971 3.912 0.259 1.00 23.11 O ATOM 686 CB LEU A 45 -15.632 1.157 -1.034 1.00 13.24 C ATOM 687 CG LEU A 45 -16.988 0.424 -1.053 1.00 30.42 C ATOM 688 CD1 LEU A 45 -17.410 0.175 -2.501 1.00 61.32 C ATOM 689 CD2 LEU A 45 -16.972 -0.869 -0.230 1.00 10.13 C ATOM 0 H LEU A 45 -16.777 3.303 -0.521 1.00 13.21 H new ATOM 0 HA LEU A 45 -15.327 1.328 1.098 1.00 62.54 H new ATOM 0 HB2 LEU A 45 -15.581 1.818 -1.899 1.00 13.24 H new ATOM 0 HB3 LEU A 45 -14.836 0.421 -1.148 1.00 13.24 H new ATOM 0 HG LEU A 45 -17.728 1.064 -0.573 1.00 30.42 H new ATOM 0 HD11 LEU A 45 -18.369 -0.343 -2.517 1.00 61.32 H new ATOM 0 HD12 LEU A 45 -17.504 1.128 -3.022 1.00 61.32 H new ATOM 0 HD13 LEU A 45 -16.658 -0.438 -2.999 1.00 61.32 H new ATOM 0 HD21 LEU A 45 -17.952 -1.343 -0.279 1.00 10.13 H new ATOM 0 HD22 LEU A 45 -16.220 -1.547 -0.633 1.00 10.13 H new ATOM 0 HD23 LEU A 45 -16.732 -0.637 0.808 1.00 10.13 H new ATOM 701 N ASN A 46 -12.941 1.997 -0.300 1.00 71.21 N ATOM 702 CA ASN A 46 -11.648 2.633 -0.557 1.00 54.22 C ATOM 703 C ASN A 46 -11.473 2.888 -2.065 1.00 11.13 C ATOM 704 O ASN A 46 -12.157 2.288 -2.897 1.00 30.52 O ATOM 705 CB ASN A 46 -10.484 1.803 -0.002 1.00 74.42 C ATOM 706 CG ASN A 46 -10.084 0.599 -0.832 1.00 61.23 C ATOM 707 OD1 ASN A 46 -9.534 0.755 -1.914 1.00 21.51 O ATOM 708 ND2 ASN A 46 -10.174 -0.602 -0.317 1.00 44.20 N ATOM 0 H ASN A 46 -12.941 0.985 -0.428 1.00 71.21 H new ATOM 0 HA ASN A 46 -11.635 3.590 -0.035 1.00 54.22 H new ATOM 0 HB2 ASN A 46 -9.616 2.453 0.104 1.00 74.42 H new ATOM 0 HB3 ASN A 46 -10.750 1.460 0.998 1.00 74.42 H new ATOM 0 HD21 ASN A 46 -9.787 -1.402 -0.818 1.00 44.20 H new ATOM 0 HD22 ASN A 46 -10.631 -0.737 0.585 1.00 44.20 H new ATOM 715 N ARG A 47 -10.502 3.738 -2.424 1.00 21.22 N ATOM 716 CA ARG A 47 -10.321 4.252 -3.795 1.00 5.21 C ATOM 717 C ARG A 47 -9.530 3.295 -4.732 1.00 2.12 C ATOM 718 O ARG A 47 -9.058 3.694 -5.800 1.00 44.40 O ATOM 719 CB ARG A 47 -9.601 5.609 -3.718 1.00 30.35 C ATOM 720 CG ARG A 47 -10.642 6.710 -3.497 1.00 33.15 C ATOM 721 CD ARG A 47 -9.995 8.079 -3.542 1.00 74.20 C ATOM 722 NE ARG A 47 -10.827 9.068 -4.247 1.00 24.45 N ATOM 723 CZ ARG A 47 -10.378 10.172 -4.854 1.00 30.52 C ATOM 724 NH1 ARG A 47 -9.074 10.424 -4.932 1.00 25.42 N ATOM 725 NH2 ARG A 47 -11.249 11.024 -5.366 1.00 52.32 N ATOM 0 H ARG A 47 -9.810 4.095 -1.765 1.00 21.22 H new ATOM 0 HA ARG A 47 -11.314 4.347 -4.234 1.00 5.21 H new ATOM 0 HB2 ARG A 47 -8.877 5.606 -2.903 1.00 30.35 H new ATOM 0 HB3 ARG A 47 -9.046 5.794 -4.638 1.00 30.35 H new ATOM 0 HG2 ARG A 47 -11.416 6.643 -4.261 1.00 33.15 H new ATOM 0 HG3 ARG A 47 -11.132 6.566 -2.534 1.00 33.15 H new ATOM 0 HD2 ARG A 47 -9.808 8.424 -2.525 1.00 74.20 H new ATOM 0 HD3 ARG A 47 -9.026 8.004 -4.036 1.00 74.20 H new ATOM 0 HE ARG A 47 -11.832 8.897 -4.275 1.00 24.45 H new ATOM 0 HH11 ARG A 47 -8.403 9.771 -4.526 1.00 25.42 H new ATOM 0 HH12 ARG A 47 -8.745 11.270 -5.398 1.00 25.42 H new ATOM 0 HH21 ARG A 47 -12.249 10.835 -5.295 1.00 52.32 H new ATOM 0 HH22 ARG A 47 -10.921 11.870 -5.832 1.00 52.32 H new ATOM 739 N GLY A 48 -9.335 2.040 -4.340 1.00 14.35 N ATOM 740 CA GLY A 48 -8.576 0.991 -5.019 1.00 12.14 C ATOM 741 C GLY A 48 -7.057 1.180 -5.074 1.00 71.43 C ATOM 742 O GLY A 48 -6.357 0.392 -5.713 1.00 22.54 O ATOM 0 H GLY A 48 -9.737 1.701 -3.466 1.00 14.35 H new ATOM 0 HA2 GLY A 48 -8.785 0.043 -4.524 1.00 12.14 H new ATOM 0 HA3 GLY A 48 -8.947 0.906 -6.040 1.00 12.14 H new ATOM 746 N PHE A 49 -6.503 2.109 -4.296 1.00 52.41 N ATOM 747 CA PHE A 49 -5.071 2.227 -4.039 1.00 42.44 C ATOM 748 C PHE A 49 -4.873 2.839 -2.658 1.00 5.35 C ATOM 749 O PHE A 49 -5.832 3.340 -2.057 1.00 62.50 O ATOM 750 CB PHE A 49 -4.380 3.068 -5.128 1.00 32.51 C ATOM 751 CG PHE A 49 -5.004 4.430 -5.377 1.00 65.32 C ATOM 752 CD1 PHE A 49 -4.814 5.500 -4.481 1.00 43.11 C ATOM 753 CD2 PHE A 49 -5.791 4.622 -6.523 1.00 64.40 C ATOM 754 CE1 PHE A 49 -5.425 6.741 -4.729 1.00 54.22 C ATOM 755 CE2 PHE A 49 -6.414 5.858 -6.764 1.00 71.13 C ATOM 756 CZ PHE A 49 -6.238 6.918 -5.860 1.00 62.32 C ATOM 0 H PHE A 49 -7.054 2.819 -3.814 1.00 52.41 H new ATOM 0 HA PHE A 49 -4.612 1.239 -4.065 1.00 42.44 H new ATOM 0 HB2 PHE A 49 -3.336 3.209 -4.850 1.00 32.51 H new ATOM 0 HB3 PHE A 49 -4.388 2.505 -6.061 1.00 32.51 H new ATOM 0 HD1 PHE A 49 -4.199 5.367 -3.603 1.00 43.11 H new ATOM 0 HD2 PHE A 49 -5.919 3.812 -7.226 1.00 64.40 H new ATOM 0 HE1 PHE A 49 -5.268 7.563 -4.046 1.00 54.22 H new ATOM 0 HE2 PHE A 49 -7.027 5.993 -7.643 1.00 71.13 H new ATOM 0 HZ PHE A 49 -6.726 7.866 -6.034 1.00 62.32 H new ATOM 766 N ALA A 50 -3.646 2.792 -2.138 1.00 63.41 N ATOM 767 CA ALA A 50 -3.261 3.457 -0.900 1.00 54.42 C ATOM 768 C ALA A 50 -1.763 3.747 -0.924 1.00 23.55 C ATOM 769 O ALA A 50 -1.007 3.022 -1.575 1.00 21.15 O ATOM 770 CB ALA A 50 -3.617 2.575 0.300 1.00 25.21 C ATOM 0 H ALA A 50 -2.880 2.280 -2.576 1.00 63.41 H new ATOM 0 HA ALA A 50 -3.803 4.398 -0.809 1.00 54.42 H new ATOM 0 HB1 ALA A 50 -3.326 3.079 1.221 1.00 25.21 H new ATOM 0 HB2 ALA A 50 -4.691 2.391 0.311 1.00 25.21 H new ATOM 0 HB3 ALA A 50 -3.087 1.625 0.223 1.00 25.21 H new ATOM 776 N PHE A 51 -1.328 4.746 -0.161 1.00 3.43 N ATOM 777 CA PHE A 51 0.010 5.325 -0.199 1.00 42.14 C ATOM 778 C PHE A 51 0.666 5.082 1.151 1.00 54.00 C ATOM 779 O PHE A 51 0.141 5.551 2.155 1.00 44.02 O ATOM 780 CB PHE A 51 -0.087 6.844 -0.421 1.00 61.13 C ATOM 781 CG PHE A 51 -0.739 7.326 -1.693 1.00 11.22 C ATOM 782 CD1 PHE A 51 0.026 7.474 -2.861 1.00 34.23 C ATOM 783 CD2 PHE A 51 -2.083 7.737 -1.679 1.00 13.43 C ATOM 784 CE1 PHE A 51 -0.567 7.968 -4.033 1.00 74.12 C ATOM 785 CE2 PHE A 51 -2.659 8.284 -2.836 1.00 21.33 C ATOM 786 CZ PHE A 51 -1.912 8.372 -4.022 1.00 64.53 C ATOM 0 H PHE A 51 -1.927 5.194 0.532 1.00 3.43 H new ATOM 0 HA PHE A 51 0.586 4.873 -1.006 1.00 42.14 H new ATOM 0 HB2 PHE A 51 -0.634 7.272 0.419 1.00 61.13 H new ATOM 0 HB3 PHE A 51 0.923 7.253 -0.386 1.00 61.13 H new ATOM 0 HD1 PHE A 51 1.073 7.207 -2.857 1.00 34.23 H new ATOM 0 HD2 PHE A 51 -2.671 7.632 -0.779 1.00 13.43 H new ATOM 0 HE1 PHE A 51 0.011 8.037 -4.943 1.00 74.12 H new ATOM 0 HE2 PHE A 51 -3.679 8.638 -2.814 1.00 21.33 H new ATOM 0 HZ PHE A 51 -2.371 8.750 -4.924 1.00 64.53 H new ATOM 796 N ILE A 52 1.791 4.387 1.190 1.00 23.42 N ATOM 797 CA ILE A 52 2.671 4.275 2.348 1.00 3.51 C ATOM 798 C ILE A 52 3.566 5.522 2.377 1.00 3.34 C ATOM 799 O ILE A 52 3.949 6.021 1.316 1.00 12.55 O ATOM 800 CB ILE A 52 3.453 2.944 2.264 1.00 22.05 C ATOM 801 CG1 ILE A 52 2.495 1.729 2.164 1.00 11.11 C ATOM 802 CG2 ILE A 52 4.437 2.762 3.428 1.00 24.02 C ATOM 803 CD1 ILE A 52 3.117 0.475 1.539 1.00 23.24 C ATOM 0 H ILE A 52 2.132 3.863 0.384 1.00 23.42 H new ATOM 0 HA ILE A 52 2.121 4.243 3.288 1.00 3.51 H new ATOM 0 HB ILE A 52 4.043 2.994 1.349 1.00 22.05 H new ATOM 0 HG12 ILE A 52 2.138 1.482 3.164 1.00 11.11 H new ATOM 0 HG13 ILE A 52 1.624 2.018 1.576 1.00 11.11 H new ATOM 0 HG21 ILE A 52 4.959 1.811 3.318 1.00 24.02 H new ATOM 0 HG22 ILE A 52 5.162 3.576 3.422 1.00 24.02 H new ATOM 0 HG23 ILE A 52 3.890 2.769 4.371 1.00 24.02 H new ATOM 0 HD11 ILE A 52 2.375 -0.323 1.510 1.00 23.24 H new ATOM 0 HD12 ILE A 52 3.448 0.700 0.525 1.00 23.24 H new ATOM 0 HD13 ILE A 52 3.970 0.155 2.137 1.00 23.24 H new ATOM 815 N GLN A 53 3.853 6.077 3.560 1.00 74.03 N ATOM 816 CA GLN A 53 4.826 7.134 3.784 1.00 53.44 C ATOM 817 C GLN A 53 5.732 6.681 4.933 1.00 42.41 C ATOM 818 O GLN A 53 5.550 7.075 6.094 1.00 12.11 O ATOM 819 CB GLN A 53 4.140 8.484 4.074 1.00 73.42 C ATOM 820 CG GLN A 53 3.708 9.291 2.836 1.00 71.34 C ATOM 821 CD GLN A 53 2.234 9.112 2.493 1.00 25.41 C ATOM 822 OE1 GLN A 53 1.401 9.971 2.745 1.00 11.03 O ATOM 823 NE2 GLN A 53 1.885 7.998 1.887 1.00 54.41 N ATOM 0 H GLN A 53 3.389 5.784 4.420 1.00 74.03 H new ATOM 0 HA GLN A 53 5.423 7.302 2.888 1.00 53.44 H new ATOM 0 HB2 GLN A 53 3.260 8.299 4.690 1.00 73.42 H new ATOM 0 HB3 GLN A 53 4.820 9.097 4.666 1.00 73.42 H new ATOM 0 HG2 GLN A 53 3.909 10.348 3.010 1.00 71.34 H new ATOM 0 HG3 GLN A 53 4.314 8.988 1.982 1.00 71.34 H new ATOM 0 HE21 GLN A 53 2.588 7.288 1.681 1.00 54.41 H new ATOM 0 HE22 GLN A 53 0.912 7.844 1.623 1.00 54.41 H new ATOM 832 N LEU A 54 6.687 5.814 4.598 1.00 72.23 N ATOM 833 CA LEU A 54 7.842 5.480 5.429 1.00 73.31 C ATOM 834 C LEU A 54 8.819 6.666 5.462 1.00 75.00 C ATOM 835 O LEU A 54 8.614 7.678 4.781 1.00 75.21 O ATOM 836 CB LEU A 54 8.521 4.208 4.871 1.00 51.11 C ATOM 837 CG LEU A 54 7.867 2.891 5.316 1.00 4.41 C ATOM 838 CD1 LEU A 54 8.353 1.734 4.436 1.00 71.33 C ATOM 839 CD2 LEU A 54 8.186 2.578 6.780 1.00 20.24 C ATOM 0 H LEU A 54 6.677 5.309 3.712 1.00 72.23 H new ATOM 0 HA LEU A 54 7.522 5.280 6.451 1.00 73.31 H new ATOM 0 HB2 LEU A 54 8.512 4.254 3.782 1.00 51.11 H new ATOM 0 HB3 LEU A 54 9.566 4.203 5.181 1.00 51.11 H new ATOM 0 HG LEU A 54 6.788 3.007 5.211 1.00 4.41 H new ATOM 0 HD11 LEU A 54 7.882 0.806 4.762 1.00 71.33 H new ATOM 0 HD12 LEU A 54 8.087 1.930 3.397 1.00 71.33 H new ATOM 0 HD13 LEU A 54 9.436 1.641 4.522 1.00 71.33 H new ATOM 0 HD21 LEU A 54 7.709 1.640 7.064 1.00 20.24 H new ATOM 0 HD22 LEU A 54 9.265 2.489 6.906 1.00 20.24 H new ATOM 0 HD23 LEU A 54 7.812 3.382 7.414 1.00 20.24 H new ATOM 851 N SER A 55 9.901 6.523 6.236 1.00 35.35 N ATOM 852 CA SER A 55 11.117 7.311 6.058 1.00 15.35 C ATOM 853 C SER A 55 11.583 7.168 4.610 1.00 33.01 C ATOM 854 O SER A 55 11.322 6.141 3.986 1.00 32.42 O ATOM 855 CB SER A 55 12.212 6.790 7.003 1.00 73.31 C ATOM 856 OG SER A 55 12.660 7.787 7.896 1.00 13.22 O ATOM 0 H SER A 55 9.954 5.854 7.005 1.00 35.35 H new ATOM 0 HA SER A 55 10.918 8.358 6.285 1.00 15.35 H new ATOM 0 HB2 SER A 55 11.828 5.942 7.570 1.00 73.31 H new ATOM 0 HB3 SER A 55 13.054 6.425 6.415 1.00 73.31 H new ATOM 0 HG SER A 55 13.354 7.415 8.480 1.00 13.22 H new ATOM 862 N THR A 56 12.330 8.140 4.094 1.00 4.44 N ATOM 863 CA THR A 56 12.773 8.138 2.705 1.00 31.12 C ATOM 864 C THR A 56 13.587 6.882 2.379 1.00 11.55 C ATOM 865 O THR A 56 13.284 6.144 1.442 1.00 42.12 O ATOM 866 CB THR A 56 13.550 9.431 2.419 1.00 73.11 C ATOM 867 OG1 THR A 56 14.543 9.673 3.405 1.00 74.31 O ATOM 868 CG2 THR A 56 12.600 10.629 2.427 1.00 54.42 C ATOM 0 H THR A 56 12.645 8.950 4.628 1.00 4.44 H new ATOM 0 HA THR A 56 11.903 8.110 2.049 1.00 31.12 H new ATOM 0 HB THR A 56 14.021 9.308 1.444 1.00 73.11 H new ATOM 0 HG1 THR A 56 15.020 10.502 3.192 1.00 74.31 H new ATOM 0 HG21 THR A 56 13.162 11.540 2.223 1.00 54.42 H new ATOM 0 HG22 THR A 56 11.837 10.494 1.660 1.00 54.42 H new ATOM 0 HG23 THR A 56 12.122 10.708 3.404 1.00 54.42 H new ATOM 876 N ILE A 57 14.613 6.621 3.187 1.00 14.22 N ATOM 877 CA ILE A 57 15.522 5.507 2.975 1.00 70.40 C ATOM 878 C ILE A 57 14.800 4.195 3.250 1.00 42.31 C ATOM 879 O ILE A 57 14.990 3.222 2.527 1.00 12.21 O ATOM 880 CB ILE A 57 16.755 5.642 3.884 1.00 43.13 C ATOM 881 CG1 ILE A 57 17.342 7.067 3.914 1.00 52.34 C ATOM 882 CG2 ILE A 57 17.811 4.613 3.459 1.00 3.21 C ATOM 883 CD1 ILE A 57 17.618 7.687 2.539 1.00 1.44 C ATOM 0 H ILE A 57 14.834 7.182 4.010 1.00 14.22 H new ATOM 0 HA ILE A 57 15.859 5.515 1.938 1.00 70.40 H new ATOM 0 HB ILE A 57 16.433 5.442 4.906 1.00 43.13 H new ATOM 0 HG12 ILE A 57 16.653 7.715 4.456 1.00 52.34 H new ATOM 0 HG13 ILE A 57 18.273 7.048 4.480 1.00 52.34 H new ATOM 0 HG21 ILE A 57 18.687 4.705 4.101 1.00 3.21 H new ATOM 0 HG22 ILE A 57 17.398 3.609 3.551 1.00 3.21 H new ATOM 0 HG23 ILE A 57 18.099 4.794 2.423 1.00 3.21 H new ATOM 0 HD11 ILE A 57 18.029 8.688 2.667 1.00 1.44 H new ATOM 0 HD12 ILE A 57 18.333 7.068 1.998 1.00 1.44 H new ATOM 0 HD13 ILE A 57 16.688 7.746 1.973 1.00 1.44 H new ATOM 895 N GLU A 58 13.979 4.168 4.297 1.00 22.14 N ATOM 896 CA GLU A 58 13.207 2.998 4.678 1.00 43.20 C ATOM 897 C GLU A 58 12.324 2.590 3.508 1.00 1.15 C ATOM 898 O GLU A 58 12.420 1.461 3.046 1.00 74.03 O ATOM 899 CB GLU A 58 12.395 3.292 5.941 1.00 4.15 C ATOM 900 CG GLU A 58 13.295 3.482 7.167 1.00 44.43 C ATOM 901 CD GLU A 58 13.869 2.156 7.663 1.00 21.13 C ATOM 902 OE1 GLU A 58 13.308 1.615 8.644 1.00 35.41 O ATOM 903 OE2 GLU A 58 14.837 1.641 7.063 1.00 43.50 O ATOM 0 H GLU A 58 13.832 4.970 4.909 1.00 22.14 H new ATOM 0 HA GLU A 58 13.869 2.165 4.913 1.00 43.20 H new ATOM 0 HB2 GLU A 58 11.797 4.190 5.787 1.00 4.15 H new ATOM 0 HB3 GLU A 58 11.700 2.473 6.124 1.00 4.15 H new ATOM 0 HG2 GLU A 58 14.111 4.160 6.917 1.00 44.43 H new ATOM 0 HG3 GLU A 58 12.724 3.952 7.967 1.00 44.43 H new ATOM 910 N ALA A 59 11.540 3.528 2.975 1.00 14.23 N ATOM 911 CA ALA A 59 10.727 3.345 1.784 1.00 12.53 C ATOM 912 C ALA A 59 11.564 2.758 0.646 1.00 3.35 C ATOM 913 O ALA A 59 11.186 1.747 0.060 1.00 50.14 O ATOM 914 CB ALA A 59 10.123 4.693 1.367 1.00 34.14 C ATOM 0 H ALA A 59 11.455 4.462 3.376 1.00 14.23 H new ATOM 0 HA ALA A 59 9.922 2.644 2.006 1.00 12.53 H new ATOM 0 HB1 ALA A 59 9.513 4.558 0.474 1.00 34.14 H new ATOM 0 HB2 ALA A 59 9.502 5.079 2.175 1.00 34.14 H new ATOM 0 HB3 ALA A 59 10.924 5.401 1.155 1.00 34.14 H new ATOM 920 N ALA A 60 12.692 3.392 0.324 1.00 24.05 N ATOM 921 CA ALA A 60 13.523 2.994 -0.798 1.00 24.33 C ATOM 922 C ALA A 60 14.117 1.592 -0.626 1.00 34.34 C ATOM 923 O ALA A 60 14.208 0.850 -1.606 1.00 51.53 O ATOM 924 CB ALA A 60 14.630 4.037 -0.981 1.00 23.42 C ATOM 0 H ALA A 60 13.050 4.197 0.839 1.00 24.05 H new ATOM 0 HA ALA A 60 12.897 2.947 -1.689 1.00 24.33 H new ATOM 0 HB1 ALA A 60 15.263 3.752 -1.821 1.00 23.42 H new ATOM 0 HB2 ALA A 60 14.183 5.011 -1.178 1.00 23.42 H new ATOM 0 HB3 ALA A 60 15.233 4.091 -0.074 1.00 23.42 H new ATOM 930 N GLN A 61 14.555 1.226 0.579 1.00 31.25 N ATOM 931 CA GLN A 61 15.064 -0.103 0.901 1.00 53.20 C ATOM 932 C GLN A 61 13.931 -1.119 0.786 1.00 73.10 C ATOM 933 O GLN A 61 14.012 -2.062 -0.005 1.00 74.30 O ATOM 934 CB GLN A 61 15.644 -0.107 2.329 1.00 51.33 C ATOM 935 CG GLN A 61 17.006 0.595 2.427 1.00 65.00 C ATOM 936 CD GLN A 61 17.543 0.622 3.861 1.00 50.31 C ATOM 937 OE1 GLN A 61 18.668 0.197 4.124 1.00 63.32 O ATOM 938 NE2 GLN A 61 16.777 1.131 4.814 1.00 53.20 N ATOM 0 H GLN A 61 14.565 1.863 1.376 1.00 31.25 H new ATOM 0 HA GLN A 61 15.856 -0.372 0.202 1.00 53.20 H new ATOM 0 HB2 GLN A 61 14.940 0.383 3.002 1.00 51.33 H new ATOM 0 HB3 GLN A 61 15.747 -1.137 2.670 1.00 51.33 H new ATOM 0 HG2 GLN A 61 17.722 0.085 1.783 1.00 65.00 H new ATOM 0 HG3 GLN A 61 16.914 1.616 2.056 1.00 65.00 H new ATOM 0 HE21 GLN A 61 15.846 1.481 4.588 1.00 53.20 H new ATOM 0 HE22 GLN A 61 17.118 1.173 5.774 1.00 53.20 H new ATOM 947 N LEU A 62 12.869 -0.912 1.568 1.00 61.33 N ATOM 948 CA LEU A 62 11.780 -1.859 1.736 1.00 74.41 C ATOM 949 C LEU A 62 11.118 -2.142 0.390 1.00 13.51 C ATOM 950 O LEU A 62 10.843 -3.294 0.065 1.00 41.41 O ATOM 951 CB LEU A 62 10.750 -1.304 2.737 1.00 10.34 C ATOM 952 CG LEU A 62 10.082 -2.317 3.676 1.00 12.21 C ATOM 953 CD1 LEU A 62 9.806 -3.691 3.073 1.00 43.30 C ATOM 954 CD2 LEU A 62 10.873 -2.498 4.977 1.00 4.53 C ATOM 0 H LEU A 62 12.746 -0.058 2.112 1.00 61.33 H new ATOM 0 HA LEU A 62 12.179 -2.794 2.129 1.00 74.41 H new ATOM 0 HB2 LEU A 62 11.243 -0.548 3.348 1.00 10.34 H new ATOM 0 HB3 LEU A 62 9.968 -0.796 2.173 1.00 10.34 H new ATOM 0 HG LEU A 62 9.111 -1.865 3.876 1.00 12.21 H new ATOM 0 HD11 LEU A 62 9.333 -4.328 3.820 1.00 43.30 H new ATOM 0 HD12 LEU A 62 9.143 -3.585 2.215 1.00 43.30 H new ATOM 0 HD13 LEU A 62 10.745 -4.143 2.753 1.00 43.30 H new ATOM 0 HD21 LEU A 62 10.366 -3.223 5.613 1.00 4.53 H new ATOM 0 HD22 LEU A 62 11.876 -2.857 4.746 1.00 4.53 H new ATOM 0 HD23 LEU A 62 10.940 -1.543 5.498 1.00 4.53 H new ATOM 966 N LEU A 63 10.908 -1.107 -0.430 1.00 24.14 N ATOM 967 CA LEU A 63 10.312 -1.260 -1.748 1.00 14.11 C ATOM 968 C LEU A 63 11.064 -2.308 -2.562 1.00 72.13 C ATOM 969 O LEU A 63 10.435 -3.123 -3.228 1.00 51.23 O ATOM 970 CB LEU A 63 10.341 0.078 -2.504 1.00 30.31 C ATOM 971 CG LEU A 63 9.886 -0.041 -3.975 1.00 65.30 C ATOM 972 CD1 LEU A 63 8.365 -0.148 -4.128 1.00 21.43 C ATOM 973 CD2 LEU A 63 10.402 1.157 -4.750 1.00 71.41 C ATOM 0 H LEU A 63 11.148 -0.144 -0.193 1.00 24.14 H new ATOM 0 HA LEU A 63 9.280 -1.583 -1.614 1.00 14.11 H new ATOM 0 HB2 LEU A 63 9.699 0.792 -1.989 1.00 30.31 H new ATOM 0 HB3 LEU A 63 11.353 0.481 -2.476 1.00 30.31 H new ATOM 0 HG LEU A 63 10.302 -0.967 -4.372 1.00 65.30 H new ATOM 0 HD11 LEU A 63 8.110 -0.229 -5.185 1.00 21.43 H new ATOM 0 HD12 LEU A 63 8.007 -1.032 -3.600 1.00 21.43 H new ATOM 0 HD13 LEU A 63 7.894 0.741 -3.708 1.00 21.43 H new ATOM 0 HD21 LEU A 63 10.085 1.081 -5.790 1.00 71.41 H new ATOM 0 HD22 LEU A 63 10.001 2.072 -4.314 1.00 71.41 H new ATOM 0 HD23 LEU A 63 11.491 1.179 -4.703 1.00 71.41 H new ATOM 985 N GLN A 64 12.396 -2.261 -2.572 1.00 64.00 N ATOM 986 CA GLN A 64 13.189 -3.137 -3.427 1.00 10.12 C ATOM 987 C GLN A 64 13.125 -4.585 -2.972 1.00 41.42 C ATOM 988 O GLN A 64 13.297 -5.496 -3.780 1.00 63.23 O ATOM 989 CB GLN A 64 14.633 -2.651 -3.438 1.00 34.02 C ATOM 990 CG GLN A 64 14.751 -1.319 -4.179 1.00 2.43 C ATOM 991 CD GLN A 64 14.305 -1.441 -5.636 1.00 2.42 C ATOM 992 OE1 GLN A 64 14.997 -2.034 -6.458 1.00 31.23 O ATOM 993 NE2 GLN A 64 13.113 -0.962 -5.968 1.00 14.52 N ATOM 0 H GLN A 64 12.947 -1.624 -1.996 1.00 64.00 H new ATOM 0 HA GLN A 64 12.774 -3.099 -4.434 1.00 10.12 H new ATOM 0 HB2 GLN A 64 14.991 -2.536 -2.415 1.00 34.02 H new ATOM 0 HB3 GLN A 64 15.269 -3.396 -3.916 1.00 34.02 H new ATOM 0 HG2 GLN A 64 14.144 -0.567 -3.675 1.00 2.43 H new ATOM 0 HG3 GLN A 64 15.784 -0.972 -4.142 1.00 2.43 H new ATOM 0 HE21 GLN A 64 12.549 -0.471 -5.274 1.00 14.52 H new ATOM 0 HE22 GLN A 64 12.760 -1.085 -6.917 1.00 14.52 H new ATOM 1002 N ILE A 65 12.831 -4.798 -1.694 1.00 10.14 N ATOM 1003 CA ILE A 65 12.420 -6.102 -1.204 1.00 41.32 C ATOM 1004 C ILE A 65 11.146 -6.475 -1.973 1.00 34.21 C ATOM 1005 O ILE A 65 11.176 -7.431 -2.748 1.00 53.32 O ATOM 1006 CB ILE A 65 12.353 -6.149 0.344 1.00 24.01 C ATOM 1007 CG1 ILE A 65 13.726 -5.713 0.924 1.00 70.10 C ATOM 1008 CG2 ILE A 65 11.959 -7.558 0.818 1.00 70.10 C ATOM 1009 CD1 ILE A 65 13.770 -5.569 2.450 1.00 65.31 C ATOM 0 H ILE A 65 12.871 -4.075 -0.976 1.00 10.14 H new ATOM 0 HA ILE A 65 13.156 -6.880 -1.403 1.00 41.32 H new ATOM 0 HB ILE A 65 11.589 -5.460 0.705 1.00 24.01 H new ATOM 0 HG12 ILE A 65 14.479 -6.441 0.621 1.00 70.10 H new ATOM 0 HG13 ILE A 65 14.006 -4.760 0.476 1.00 70.10 H new ATOM 0 HG21 ILE A 65 11.916 -7.577 1.907 1.00 70.10 H new ATOM 0 HG22 ILE A 65 10.982 -7.819 0.411 1.00 70.10 H new ATOM 0 HG23 ILE A 65 12.700 -8.279 0.472 1.00 70.10 H new ATOM 0 HD11 ILE A 65 14.769 -5.262 2.758 1.00 65.31 H new ATOM 0 HD12 ILE A 65 13.046 -4.818 2.766 1.00 65.31 H new ATOM 0 HD13 ILE A 65 13.526 -6.525 2.913 1.00 65.31 H new ATOM 1021 N LEU A 66 10.072 -5.680 -1.868 1.00 14.32 N ATOM 1022 CA LEU A 66 8.776 -5.946 -2.502 1.00 3.35 C ATOM 1023 C LEU A 66 8.820 -6.030 -4.030 1.00 31.21 C ATOM 1024 O LEU A 66 7.886 -6.567 -4.625 1.00 12.52 O ATOM 1025 CB LEU A 66 7.691 -4.932 -2.085 1.00 64.14 C ATOM 1026 CG LEU A 66 7.084 -5.123 -0.685 1.00 21.24 C ATOM 1027 CD1 LEU A 66 6.705 -6.565 -0.346 1.00 10.53 C ATOM 1028 CD2 LEU A 66 7.993 -4.618 0.408 1.00 3.51 C ATOM 0 H LEU A 66 10.082 -4.815 -1.327 1.00 14.32 H new ATOM 0 HA LEU A 66 8.512 -6.936 -2.129 1.00 3.35 H new ATOM 0 HB2 LEU A 66 8.119 -3.931 -2.139 1.00 64.14 H new ATOM 0 HB3 LEU A 66 6.884 -4.974 -2.817 1.00 64.14 H new ATOM 0 HG LEU A 66 6.169 -4.532 -0.729 1.00 21.24 H new ATOM 0 HD11 LEU A 66 6.285 -6.604 0.659 1.00 10.53 H new ATOM 0 HD12 LEU A 66 5.966 -6.925 -1.062 1.00 10.53 H new ATOM 0 HD13 LEU A 66 7.593 -7.195 -0.393 1.00 10.53 H new ATOM 0 HD21 LEU A 66 7.519 -4.776 1.377 1.00 3.51 H new ATOM 0 HD22 LEU A 66 8.938 -5.159 0.374 1.00 3.51 H new ATOM 0 HD23 LEU A 66 8.179 -3.554 0.264 1.00 3.51 H new ATOM 1040 N GLN A 67 9.870 -5.534 -4.682 1.00 3.12 N ATOM 1041 CA GLN A 67 9.984 -5.575 -6.133 1.00 3.42 C ATOM 1042 C GLN A 67 10.900 -6.708 -6.613 1.00 4.55 C ATOM 1043 O GLN A 67 11.214 -6.747 -7.806 1.00 64.04 O ATOM 1044 CB GLN A 67 10.507 -4.217 -6.601 1.00 33.03 C ATOM 1045 CG GLN A 67 9.531 -3.071 -6.316 1.00 72.30 C ATOM 1046 CD GLN A 67 8.443 -2.901 -7.337 1.00 71.01 C ATOM 1047 OE1 GLN A 67 7.543 -3.729 -7.497 1.00 43.14 O ATOM 1048 NE2 GLN A 67 8.404 -1.738 -7.934 1.00 64.10 N ATOM 0 H GLN A 67 10.664 -5.093 -4.217 1.00 3.12 H new ATOM 0 HA GLN A 67 9.003 -5.778 -6.563 1.00 3.42 H new ATOM 0 HB2 GLN A 67 11.457 -4.010 -6.108 1.00 33.03 H new ATOM 0 HB3 GLN A 67 10.706 -4.260 -7.672 1.00 33.03 H new ATOM 0 HG2 GLN A 67 9.072 -3.237 -5.341 1.00 72.30 H new ATOM 0 HG3 GLN A 67 10.095 -2.141 -6.248 1.00 72.30 H new ATOM 0 HE21 GLN A 67 9.157 -1.065 -7.790 1.00 64.10 H new ATOM 0 HE22 GLN A 67 7.620 -1.504 -8.543 1.00 64.10 H new ATOM 1057 N ALA A 68 11.264 -7.669 -5.757 1.00 51.12 N ATOM 1058 CA ALA A 68 12.096 -8.812 -6.142 1.00 13.55 C ATOM 1059 C ALA A 68 11.907 -10.065 -5.274 1.00 34.41 C ATOM 1060 O ALA A 68 12.415 -11.123 -5.647 1.00 4.34 O ATOM 1061 CB ALA A 68 13.564 -8.381 -6.130 1.00 64.01 C ATOM 0 H ALA A 68 10.989 -7.675 -4.775 1.00 51.12 H new ATOM 0 HA ALA A 68 11.775 -9.106 -7.141 1.00 13.55 H new ATOM 0 HB1 ALA A 68 14.193 -9.224 -6.415 1.00 64.01 H new ATOM 0 HB2 ALA A 68 13.709 -7.564 -6.837 1.00 64.01 H new ATOM 0 HB3 ALA A 68 13.837 -8.047 -5.129 1.00 64.01 H new ATOM 1067 N LEU A 69 11.268 -9.959 -4.109 1.00 43.20 N ATOM 1068 CA LEU A 69 10.920 -11.053 -3.198 1.00 62.44 C ATOM 1069 C LEU A 69 9.841 -12.003 -3.756 1.00 3.24 C ATOM 1070 O LEU A 69 9.562 -12.002 -4.954 1.00 43.53 O ATOM 1071 CB LEU A 69 10.560 -10.488 -1.829 1.00 21.34 C ATOM 1072 CG LEU A 69 9.258 -9.678 -1.727 1.00 32.15 C ATOM 1073 CD1 LEU A 69 8.489 -9.288 -3.003 1.00 54.32 C ATOM 1074 CD2 LEU A 69 8.315 -10.304 -0.710 1.00 1.53 C ATOM 0 H LEU A 69 10.961 -9.054 -3.753 1.00 43.20 H new ATOM 0 HA LEU A 69 11.801 -11.685 -3.090 1.00 62.44 H new ATOM 0 HB2 LEU A 69 10.498 -11.319 -1.126 1.00 21.34 H new ATOM 0 HB3 LEU A 69 11.381 -9.852 -1.499 1.00 21.34 H new ATOM 0 HG LEU A 69 9.642 -8.710 -1.407 1.00 32.15 H new ATOM 0 HD11 LEU A 69 7.599 -8.721 -2.732 1.00 54.32 H new ATOM 0 HD12 LEU A 69 9.128 -8.677 -3.641 1.00 54.32 H new ATOM 0 HD13 LEU A 69 8.195 -10.190 -3.541 1.00 54.32 H new ATOM 0 HD21 LEU A 69 7.399 -9.716 -0.653 1.00 1.53 H new ATOM 0 HD22 LEU A 69 8.074 -11.322 -1.016 1.00 1.53 H new ATOM 0 HD23 LEU A 69 8.796 -10.323 0.268 1.00 1.53 H new ATOM 1086 N HIS A 70 9.210 -12.801 -2.887 1.00 11.15 N ATOM 1087 CA HIS A 70 8.019 -13.581 -3.217 1.00 2.41 C ATOM 1088 C HIS A 70 6.790 -12.709 -3.534 1.00 54.20 C ATOM 1089 O HIS A 70 6.568 -11.681 -2.906 1.00 33.42 O ATOM 1090 CB HIS A 70 7.678 -14.543 -2.068 1.00 13.24 C ATOM 1091 CG HIS A 70 8.464 -15.827 -2.089 1.00 34.15 C ATOM 1092 ND1 HIS A 70 8.219 -16.924 -1.299 1.00 30.01 N ATOM 1093 CD2 HIS A 70 9.504 -16.143 -2.918 1.00 61.11 C ATOM 1094 CE1 HIS A 70 9.108 -17.872 -1.628 1.00 41.11 C ATOM 1095 NE2 HIS A 70 9.914 -17.446 -2.616 1.00 63.11 N ATOM 0 H HIS A 70 9.519 -12.922 -1.923 1.00 11.15 H new ATOM 0 HA HIS A 70 8.261 -14.139 -4.121 1.00 2.41 H new ATOM 0 HB2 HIS A 70 7.855 -14.036 -1.119 1.00 13.24 H new ATOM 0 HB3 HIS A 70 6.615 -14.779 -2.109 1.00 13.24 H new ATOM 0 HD2 HIS A 70 9.933 -15.500 -3.673 1.00 61.11 H new ATOM 0 HE1 HIS A 70 9.168 -18.845 -1.163 1.00 41.11 H new ATOM 0 HE2 HIS A 70 10.672 -17.968 -3.057 1.00 63.11 H new ATOM 1103 N PRO A 71 5.927 -13.148 -4.457 1.00 13.21 N ATOM 1104 CA PRO A 71 4.845 -12.334 -4.989 1.00 65.20 C ATOM 1105 C PRO A 71 3.782 -12.015 -3.928 1.00 62.40 C ATOM 1106 O PRO A 71 3.675 -12.723 -2.919 1.00 72.13 O ATOM 1107 CB PRO A 71 4.268 -13.132 -6.163 1.00 25.12 C ATOM 1108 CG PRO A 71 4.720 -14.564 -5.901 1.00 64.01 C ATOM 1109 CD PRO A 71 6.044 -14.388 -5.177 1.00 10.23 C ATOM 0 HA PRO A 71 5.208 -11.359 -5.314 1.00 65.20 H new ATOM 0 HB2 PRO A 71 3.181 -13.058 -6.199 1.00 25.12 H new ATOM 0 HB3 PRO A 71 4.644 -12.764 -7.118 1.00 25.12 H new ATOM 0 HG2 PRO A 71 3.998 -15.108 -5.292 1.00 64.01 H new ATOM 0 HG3 PRO A 71 4.840 -15.124 -6.829 1.00 64.01 H new ATOM 0 HD2 PRO A 71 6.234 -15.219 -4.498 1.00 10.23 H new ATOM 0 HD3 PRO A 71 6.875 -14.356 -5.881 1.00 10.23 H new ATOM 1117 N PRO A 72 2.957 -10.979 -4.161 1.00 1.15 N ATOM 1118 CA PRO A 72 1.995 -10.509 -3.178 1.00 10.33 C ATOM 1119 C PRO A 72 0.880 -11.526 -2.917 1.00 71.44 C ATOM 1120 O PRO A 72 0.565 -12.393 -3.745 1.00 74.32 O ATOM 1121 CB PRO A 72 1.465 -9.173 -3.710 1.00 51.12 C ATOM 1122 CG PRO A 72 1.774 -9.200 -5.205 1.00 74.22 C ATOM 1123 CD PRO A 72 2.998 -10.094 -5.316 1.00 21.23 C ATOM 0 HA PRO A 72 2.466 -10.377 -2.204 1.00 10.33 H new ATOM 0 HB2 PRO A 72 0.395 -9.071 -3.529 1.00 51.12 H new ATOM 0 HB3 PRO A 72 1.953 -8.330 -3.220 1.00 51.12 H new ATOM 0 HG2 PRO A 72 0.937 -9.598 -5.778 1.00 74.22 H new ATOM 0 HG3 PRO A 72 1.975 -8.200 -5.588 1.00 74.22 H new ATOM 0 HD2 PRO A 72 2.981 -10.664 -6.245 1.00 21.23 H new ATOM 0 HD3 PRO A 72 3.914 -9.503 -5.322 1.00 21.23 H new ATOM 1131 N LEU A 73 0.245 -11.373 -1.755 1.00 41.33 N ATOM 1132 CA LEU A 73 -0.676 -12.322 -1.148 1.00 62.51 C ATOM 1133 C LEU A 73 -2.072 -11.692 -1.153 1.00 71.21 C ATOM 1134 O LEU A 73 -2.249 -10.565 -0.690 1.00 1.23 O ATOM 1135 CB LEU A 73 -0.107 -12.708 0.232 1.00 52.13 C ATOM 1136 CG LEU A 73 -0.697 -14.001 0.817 1.00 72.51 C ATOM 1137 CD1 LEU A 73 0.271 -14.598 1.838 1.00 61.33 C ATOM 1138 CD2 LEU A 73 -2.022 -13.736 1.521 1.00 51.41 C ATOM 0 H LEU A 73 0.369 -10.537 -1.184 1.00 41.33 H new ATOM 0 HA LEU A 73 -0.780 -13.259 -1.695 1.00 62.51 H new ATOM 0 HB2 LEU A 73 0.974 -12.820 0.148 1.00 52.13 H new ATOM 0 HB3 LEU A 73 -0.289 -11.890 0.929 1.00 52.13 H new ATOM 0 HG LEU A 73 -0.860 -14.691 -0.011 1.00 72.51 H new ATOM 0 HD11 LEU A 73 -0.153 -15.514 2.249 1.00 61.33 H new ATOM 0 HD12 LEU A 73 1.220 -14.824 1.351 1.00 61.33 H new ATOM 0 HD13 LEU A 73 0.438 -13.882 2.643 1.00 61.33 H new ATOM 0 HD21 LEU A 73 -2.413 -14.670 1.924 1.00 51.41 H new ATOM 0 HD22 LEU A 73 -1.866 -13.027 2.334 1.00 51.41 H new ATOM 0 HD23 LEU A 73 -2.735 -13.321 0.809 1.00 51.41 H new ATOM 1150 N THR A 74 -3.052 -12.361 -1.763 1.00 30.41 N ATOM 1151 CA THR A 74 -4.439 -11.899 -1.804 1.00 24.21 C ATOM 1152 C THR A 74 -5.130 -12.167 -0.462 1.00 5.11 C ATOM 1153 O THR A 74 -4.943 -13.219 0.143 1.00 31.32 O ATOM 1154 CB THR A 74 -5.186 -12.562 -2.977 1.00 13.11 C ATOM 1155 OG1 THR A 74 -6.577 -12.367 -2.885 1.00 42.32 O ATOM 1156 CG2 THR A 74 -4.950 -14.054 -3.123 1.00 4.11 C ATOM 0 H THR A 74 -2.903 -13.247 -2.247 1.00 30.41 H new ATOM 0 HA THR A 74 -4.454 -10.822 -1.970 1.00 24.21 H new ATOM 0 HB THR A 74 -4.769 -12.065 -3.853 1.00 13.11 H new ATOM 0 HG1 THR A 74 -7.042 -13.125 -3.297 1.00 42.32 H new ATOM 0 HG21 THR A 74 -5.517 -14.430 -3.975 1.00 4.11 H new ATOM 0 HG22 THR A 74 -3.888 -14.240 -3.283 1.00 4.11 H new ATOM 0 HG23 THR A 74 -5.275 -14.564 -2.216 1.00 4.11 H new ATOM 1164 N ILE A 75 -5.983 -11.235 -0.021 1.00 25.41 N ATOM 1165 CA ILE A 75 -6.717 -11.310 1.249 1.00 30.13 C ATOM 1166 C ILE A 75 -8.220 -11.035 1.023 1.00 23.41 C ATOM 1167 O ILE A 75 -8.939 -10.672 1.951 1.00 42.11 O ATOM 1168 CB ILE A 75 -6.086 -10.348 2.296 1.00 24.35 C ATOM 1169 CG1 ILE A 75 -4.552 -10.182 2.205 1.00 44.32 C ATOM 1170 CG2 ILE A 75 -6.412 -10.800 3.723 1.00 10.25 C ATOM 1171 CD1 ILE A 75 -4.143 -8.966 1.379 1.00 30.41 C ATOM 0 H ILE A 75 -6.187 -10.387 -0.550 1.00 25.41 H new ATOM 0 HA ILE A 75 -6.636 -12.320 1.652 1.00 30.13 H new ATOM 0 HB ILE A 75 -6.534 -9.383 2.057 1.00 24.35 H new ATOM 0 HG12 ILE A 75 -4.140 -10.090 3.210 1.00 44.32 H new ATOM 0 HG13 ILE A 75 -4.118 -11.079 1.764 1.00 44.32 H new ATOM 0 HG21 ILE A 75 -5.959 -10.111 4.435 1.00 10.25 H new ATOM 0 HG22 ILE A 75 -7.493 -10.809 3.864 1.00 10.25 H new ATOM 0 HG23 ILE A 75 -6.016 -11.802 3.887 1.00 10.25 H new ATOM 0 HD11 ILE A 75 -3.056 -8.897 1.348 1.00 30.41 H new ATOM 0 HD12 ILE A 75 -4.530 -9.068 0.365 1.00 30.41 H new ATOM 0 HD13 ILE A 75 -4.551 -8.063 1.834 1.00 30.41 H new ATOM 1183 N ASP A 76 -8.682 -11.073 -0.229 1.00 14.44 N ATOM 1184 CA ASP A 76 -10.083 -10.787 -0.618 1.00 25.52 C ATOM 1185 C ASP A 76 -10.341 -11.215 -2.075 1.00 65.40 C ATOM 1186 O ASP A 76 -11.148 -10.604 -2.777 1.00 43.42 O ATOM 1187 CB ASP A 76 -10.388 -9.283 -0.449 1.00 41.44 C ATOM 1188 CG ASP A 76 -11.844 -8.895 -0.179 1.00 3.21 C ATOM 1189 OD1 ASP A 76 -12.595 -9.661 0.466 1.00 44.43 O ATOM 1190 OD2 ASP A 76 -12.175 -7.739 -0.531 1.00 32.35 O ATOM 0 H ASP A 76 -8.088 -11.307 -1.024 1.00 14.44 H new ATOM 0 HA ASP A 76 -10.743 -11.359 0.034 1.00 25.52 H new ATOM 0 HB2 ASP A 76 -9.779 -8.904 0.372 1.00 41.44 H new ATOM 0 HB3 ASP A 76 -10.062 -8.768 -1.353 1.00 41.44 H new ATOM 1195 N GLY A 77 -9.558 -12.173 -2.588 1.00 64.52 N ATOM 1196 CA GLY A 77 -9.600 -12.606 -3.981 1.00 73.33 C ATOM 1197 C GLY A 77 -9.045 -11.593 -4.987 1.00 22.25 C ATOM 1198 O GLY A 77 -9.414 -11.641 -6.160 1.00 63.31 O ATOM 0 H GLY A 77 -8.866 -12.675 -2.032 1.00 64.52 H new ATOM 0 HA2 GLY A 77 -9.038 -13.535 -4.075 1.00 73.33 H new ATOM 0 HA3 GLY A 77 -10.633 -12.831 -4.246 1.00 73.33 H new ATOM 1202 N LYS A 78 -8.152 -10.696 -4.557 1.00 5.35 N ATOM 1203 CA LYS A 78 -7.424 -9.733 -5.371 1.00 12.32 C ATOM 1204 C LYS A 78 -5.930 -9.883 -5.131 1.00 71.43 C ATOM 1205 O LYS A 78 -5.488 -9.715 -3.993 1.00 41.22 O ATOM 1206 CB LYS A 78 -7.883 -8.310 -5.020 1.00 25.53 C ATOM 1207 CG LYS A 78 -8.415 -8.085 -3.594 1.00 31.43 C ATOM 1208 CD LYS A 78 -7.428 -8.229 -2.426 1.00 22.13 C ATOM 1209 CE LYS A 78 -7.813 -7.306 -1.264 1.00 5.04 C ATOM 1210 NZ LYS A 78 -7.405 -7.772 0.079 1.00 64.32 N ATOM 0 H LYS A 78 -7.907 -10.623 -3.569 1.00 5.35 H new ATOM 0 HA LYS A 78 -7.629 -9.919 -6.425 1.00 12.32 H new ATOM 0 HB2 LYS A 78 -7.044 -7.633 -5.180 1.00 25.53 H new ATOM 0 HB3 LYS A 78 -8.664 -8.022 -5.723 1.00 25.53 H new ATOM 0 HG2 LYS A 78 -8.840 -7.082 -3.550 1.00 31.43 H new ATOM 0 HG3 LYS A 78 -9.233 -8.786 -3.428 1.00 31.43 H new ATOM 0 HD2 LYS A 78 -7.413 -9.264 -2.084 1.00 22.13 H new ATOM 0 HD3 LYS A 78 -6.420 -7.991 -2.766 1.00 22.13 H new ATOM 0 HE2 LYS A 78 -7.371 -6.325 -1.439 1.00 5.04 H new ATOM 0 HE3 LYS A 78 -8.895 -7.174 -1.271 1.00 5.04 H new ATOM 0 HZ1 LYS A 78 -8.150 -7.543 0.767 1.00 64.32 H new ATOM 0 HZ2 LYS A 78 -7.257 -8.801 0.059 1.00 64.32 H new ATOM 0 HZ3 LYS A 78 -6.521 -7.300 0.356 1.00 64.32 H new ATOM 1224 N THR A 79 -5.129 -10.190 -6.148 1.00 22.31 N ATOM 1225 CA THR A 79 -3.689 -10.169 -5.950 1.00 31.15 C ATOM 1226 C THR A 79 -3.216 -8.713 -5.984 1.00 74.44 C ATOM 1227 O THR A 79 -3.392 -8.028 -6.990 1.00 21.54 O ATOM 1228 CB THR A 79 -2.946 -11.068 -6.944 1.00 10.45 C ATOM 1229 OG1 THR A 79 -3.586 -12.318 -7.131 1.00 22.21 O ATOM 1230 CG2 THR A 79 -1.587 -11.402 -6.327 1.00 33.41 C ATOM 0 H THR A 79 -5.441 -10.447 -7.085 1.00 22.31 H new ATOM 0 HA THR A 79 -3.451 -10.592 -4.974 1.00 31.15 H new ATOM 0 HB THR A 79 -2.896 -10.537 -7.895 1.00 10.45 H new ATOM 0 HG1 THR A 79 -3.076 -12.854 -7.774 1.00 22.21 H new ATOM 0 HG21 THR A 79 -1.026 -12.043 -7.007 1.00 33.41 H new ATOM 0 HG22 THR A 79 -1.030 -10.481 -6.154 1.00 33.41 H new ATOM 0 HG23 THR A 79 -1.735 -11.920 -5.380 1.00 33.41 H new ATOM 1238 N ILE A 80 -2.682 -8.216 -4.868 1.00 25.35 N ATOM 1239 CA ILE A 80 -2.231 -6.831 -4.722 1.00 70.42 C ATOM 1240 C ILE A 80 -1.147 -6.525 -5.771 1.00 63.51 C ATOM 1241 O ILE A 80 -0.509 -7.430 -6.306 1.00 71.14 O ATOM 1242 CB ILE A 80 -1.755 -6.610 -3.261 1.00 42.43 C ATOM 1243 CG1 ILE A 80 -2.779 -7.105 -2.212 1.00 14.02 C ATOM 1244 CG2 ILE A 80 -1.380 -5.153 -2.937 1.00 50.21 C ATOM 1245 CD1 ILE A 80 -4.199 -6.560 -2.357 1.00 31.14 C ATOM 0 H ILE A 80 -2.548 -8.774 -4.025 1.00 25.35 H new ATOM 0 HA ILE A 80 -3.045 -6.130 -4.907 1.00 70.42 H new ATOM 0 HB ILE A 80 -0.850 -7.215 -3.195 1.00 42.43 H new ATOM 0 HG12 ILE A 80 -2.822 -8.193 -2.259 1.00 14.02 H new ATOM 0 HG13 ILE A 80 -2.410 -6.843 -1.220 1.00 14.02 H new ATOM 0 HG21 ILE A 80 -1.058 -5.083 -1.898 1.00 50.21 H new ATOM 0 HG22 ILE A 80 -0.569 -4.832 -3.591 1.00 50.21 H new ATOM 0 HG23 ILE A 80 -2.247 -4.511 -3.093 1.00 50.21 H new ATOM 0 HD11 ILE A 80 -4.830 -6.973 -1.570 1.00 31.14 H new ATOM 0 HD12 ILE A 80 -4.182 -5.473 -2.275 1.00 31.14 H new ATOM 0 HD13 ILE A 80 -4.600 -6.844 -3.330 1.00 31.14 H new ATOM 1257 N ASN A 81 -0.910 -5.246 -6.054 1.00 21.33 N ATOM 1258 CA ASN A 81 0.186 -4.755 -6.882 1.00 34.14 C ATOM 1259 C ASN A 81 0.946 -3.708 -6.076 1.00 5.45 C ATOM 1260 O ASN A 81 0.347 -3.057 -5.215 1.00 3.05 O ATOM 1261 CB ASN A 81 -0.397 -4.105 -8.146 1.00 41.04 C ATOM 1262 CG ASN A 81 -0.568 -4.996 -9.359 1.00 31.13 C ATOM 1263 OD1 ASN A 81 -0.842 -4.486 -10.436 1.00 31.42 O ATOM 1264 ND2 ASN A 81 -0.521 -6.307 -9.222 1.00 73.22 N ATOM 0 H ASN A 81 -1.501 -4.494 -5.698 1.00 21.33 H new ATOM 0 HA ASN A 81 0.851 -5.569 -7.170 1.00 34.14 H new ATOM 0 HB2 ASN A 81 -1.371 -3.686 -7.893 1.00 41.04 H new ATOM 0 HB3 ASN A 81 0.246 -3.271 -8.426 1.00 41.04 H new ATOM 0 HD21 ASN A 81 -0.715 -6.911 -10.021 1.00 73.22 H new ATOM 0 HD22 ASN A 81 -0.291 -6.717 -8.317 1.00 73.22 H new ATOM 1271 N VAL A 82 2.222 -3.495 -6.400 1.00 43.21 N ATOM 1272 CA VAL A 82 3.108 -2.520 -5.765 1.00 62.12 C ATOM 1273 C VAL A 82 3.575 -1.538 -6.839 1.00 34.32 C ATOM 1274 O VAL A 82 3.794 -1.924 -7.988 1.00 5.44 O ATOM 1275 CB VAL A 82 4.296 -3.236 -5.075 1.00 62.23 C ATOM 1276 CG1 VAL A 82 5.198 -2.260 -4.296 1.00 50.53 C ATOM 1277 CG2 VAL A 82 3.801 -4.307 -4.088 1.00 34.23 C ATOM 0 H VAL A 82 2.685 -4.019 -7.143 1.00 43.21 H new ATOM 0 HA VAL A 82 2.581 -1.971 -4.984 1.00 62.12 H new ATOM 0 HB VAL A 82 4.872 -3.694 -5.879 1.00 62.23 H new ATOM 0 HG11 VAL A 82 6.015 -2.812 -3.831 1.00 50.53 H new ATOM 0 HG12 VAL A 82 5.606 -1.516 -4.980 1.00 50.53 H new ATOM 0 HG13 VAL A 82 4.612 -1.761 -3.524 1.00 50.53 H new ATOM 0 HG21 VAL A 82 4.657 -4.793 -3.619 1.00 34.23 H new ATOM 0 HG22 VAL A 82 3.185 -3.838 -3.321 1.00 34.23 H new ATOM 0 HG23 VAL A 82 3.210 -5.050 -4.624 1.00 34.23 H new ATOM 1287 N GLU A 83 3.736 -0.277 -6.457 1.00 34.32 N ATOM 1288 CA GLU A 83 4.241 0.831 -7.247 1.00 14.34 C ATOM 1289 C GLU A 83 5.113 1.689 -6.335 1.00 73.41 C ATOM 1290 O GLU A 83 5.089 1.559 -5.108 1.00 45.11 O ATOM 1291 CB GLU A 83 3.055 1.673 -7.764 1.00 71.22 C ATOM 1292 CG GLU A 83 2.565 1.289 -9.156 1.00 12.14 C ATOM 1293 CD GLU A 83 3.385 1.919 -10.275 1.00 64.34 C ATOM 1294 OE1 GLU A 83 3.123 3.098 -10.614 1.00 21.34 O ATOM 1295 OE2 GLU A 83 4.206 1.218 -10.902 1.00 3.14 O ATOM 0 H GLU A 83 3.496 0.017 -5.510 1.00 34.32 H new ATOM 0 HA GLU A 83 4.816 0.468 -8.099 1.00 14.34 H new ATOM 0 HB2 GLU A 83 2.226 1.579 -7.062 1.00 71.22 H new ATOM 0 HB3 GLU A 83 3.348 2.723 -7.773 1.00 71.22 H new ATOM 0 HG2 GLU A 83 2.595 0.204 -9.258 1.00 12.14 H new ATOM 0 HG3 GLU A 83 1.523 1.591 -9.264 1.00 12.14 H new ATOM 1302 N PHE A 84 5.822 2.628 -6.944 1.00 44.43 N ATOM 1303 CA PHE A 84 6.545 3.693 -6.266 1.00 72.01 C ATOM 1304 C PHE A 84 6.062 5.002 -6.885 1.00 12.51 C ATOM 1305 O PHE A 84 5.553 5.016 -8.011 1.00 5.43 O ATOM 1306 CB PHE A 84 8.056 3.458 -6.461 1.00 50.42 C ATOM 1307 CG PHE A 84 9.067 4.108 -5.518 1.00 10.51 C ATOM 1308 CD1 PHE A 84 8.789 4.379 -4.162 1.00 42.10 C ATOM 1309 CD2 PHE A 84 10.392 4.258 -5.967 1.00 22.01 C ATOM 1310 CE1 PHE A 84 9.811 4.788 -3.284 1.00 74.41 C ATOM 1311 CE2 PHE A 84 11.411 4.697 -5.104 1.00 73.02 C ATOM 1312 CZ PHE A 84 11.123 4.959 -3.755 1.00 30.15 C ATOM 0 H PHE A 84 5.913 2.670 -7.959 1.00 44.43 H new ATOM 0 HA PHE A 84 6.365 3.722 -5.191 1.00 72.01 H new ATOM 0 HB2 PHE A 84 8.223 2.382 -6.420 1.00 50.42 H new ATOM 0 HB3 PHE A 84 8.305 3.781 -7.472 1.00 50.42 H new ATOM 0 HD1 PHE A 84 7.780 4.271 -3.793 1.00 42.10 H new ATOM 0 HD2 PHE A 84 10.631 4.031 -6.996 1.00 22.01 H new ATOM 0 HE1 PHE A 84 9.585 4.971 -2.244 1.00 74.41 H new ATOM 0 HE2 PHE A 84 12.415 4.833 -5.478 1.00 73.02 H new ATOM 0 HZ PHE A 84 11.903 5.289 -3.085 1.00 30.15 H new ATOM 1322 N ALA A 85 6.224 6.107 -6.173 1.00 4.54 N ATOM 1323 CA ALA A 85 6.043 7.452 -6.689 1.00 72.24 C ATOM 1324 C ALA A 85 7.063 8.317 -5.969 1.00 3.43 C ATOM 1325 O ALA A 85 6.745 9.026 -5.009 1.00 50.31 O ATOM 1326 CB ALA A 85 4.596 7.906 -6.483 1.00 33.34 C ATOM 0 H ALA A 85 6.494 6.090 -5.189 1.00 4.54 H new ATOM 0 HA ALA A 85 6.209 7.519 -7.764 1.00 72.24 H new ATOM 0 HB1 ALA A 85 4.472 8.916 -6.874 1.00 33.34 H new ATOM 0 HB2 ALA A 85 3.924 7.228 -7.009 1.00 33.34 H new ATOM 0 HB3 ALA A 85 4.360 7.897 -5.419 1.00 33.34 H new ATOM 1332 N LYS A 86 8.327 8.163 -6.349 1.00 41.10 N ATOM 1333 CA LYS A 86 9.431 8.848 -5.709 1.00 65.00 C ATOM 1334 C LYS A 86 9.543 10.213 -6.372 1.00 62.34 C ATOM 1335 O LYS A 86 10.147 10.336 -7.439 1.00 54.41 O ATOM 1336 CB LYS A 86 10.670 7.960 -5.859 1.00 62.24 C ATOM 1337 CG LYS A 86 11.817 8.247 -4.885 1.00 24.42 C ATOM 1338 CD LYS A 86 12.254 9.710 -4.747 1.00 70.23 C ATOM 1339 CE LYS A 86 13.643 9.753 -4.094 1.00 22.05 C ATOM 1340 NZ LYS A 86 13.698 10.619 -2.901 1.00 30.05 N ATOM 0 H LYS A 86 8.610 7.553 -7.116 1.00 41.10 H new ATOM 0 HA LYS A 86 9.299 9.018 -4.640 1.00 65.00 H new ATOM 0 HB2 LYS A 86 10.366 6.920 -5.737 1.00 62.24 H new ATOM 0 HB3 LYS A 86 11.047 8.064 -6.876 1.00 62.24 H new ATOM 0 HG2 LYS A 86 11.525 7.885 -3.899 1.00 24.42 H new ATOM 0 HG3 LYS A 86 12.682 7.661 -5.196 1.00 24.42 H new ATOM 0 HD2 LYS A 86 12.282 10.189 -5.726 1.00 70.23 H new ATOM 0 HD3 LYS A 86 11.535 10.263 -4.142 1.00 70.23 H new ATOM 0 HE2 LYS A 86 13.937 8.741 -3.814 1.00 22.05 H new ATOM 0 HE3 LYS A 86 14.370 10.106 -4.825 1.00 22.05 H new ATOM 0 HZ1 LYS A 86 14.659 11.003 -2.795 1.00 30.05 H new ATOM 0 HZ2 LYS A 86 13.022 11.402 -3.009 1.00 30.05 H new ATOM 0 HZ3 LYS A 86 13.452 10.063 -2.057 1.00 30.05 H new ATOM 1354 N GLY A 87 8.944 11.235 -5.764 1.00 12.11 N ATOM 1355 CA GLY A 87 9.033 12.601 -6.248 1.00 34.21 C ATOM 1356 C GLY A 87 10.399 13.178 -5.903 1.00 44.52 C ATOM 1357 O GLY A 87 10.549 13.842 -4.873 1.00 41.24 O ATOM 0 H GLY A 87 8.382 11.133 -4.919 1.00 12.11 H new ATOM 0 HA2 GLY A 87 8.879 12.626 -7.327 1.00 34.21 H new ATOM 0 HA3 GLY A 87 8.247 13.208 -5.799 1.00 34.21 H new ATOM 1361 N SER A 88 11.410 12.894 -6.724 1.00 14.22 N ATOM 1362 CA SER A 88 12.653 13.651 -6.737 1.00 65.30 C ATOM 1363 C SER A 88 12.373 15.013 -7.339 1.00 44.31 C ATOM 1364 O SER A 88 12.831 16.012 -6.752 1.00 41.30 O ATOM 1365 CB SER A 88 13.751 12.874 -7.444 1.00 72.10 C ATOM 1366 OG SER A 88 14.094 11.744 -6.662 1.00 31.33 O ATOM 0 H SER A 88 11.386 12.130 -7.399 1.00 14.22 H new ATOM 0 HA SER A 88 13.028 13.808 -5.726 1.00 65.30 H new ATOM 0 HB2 SER A 88 13.414 12.560 -8.432 1.00 72.10 H new ATOM 0 HB3 SER A 88 14.625 13.508 -7.593 1.00 72.10 H new ATOM 0 HG SER A 88 14.801 11.237 -7.113 1.00 31.33 H new TER 1372 SER A 88