USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1029 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 60 SER OG : rot 50:sc= 0.905 USER MOD Set 1.2: A 90 TYR OH : rot 130:sc= 0.787 USER MOD Set 2.1: A 34 LYS NZ :NH3+ -158:sc= -0.0464 (180deg=-1.89!) USER MOD Set 2.2: A 58 SER OG : rot -140:sc= 0.581 USER MOD Set 3.1: A 29 GLN : amide:sc= -0.0592 X(o=-0.059,f=-0.0037) USER MOD Set 3.2: A 31 SER OG : 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+ -123:sc= 1.18 (180deg=-0.211) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 38:sc= 0.292 USER MOD Single : A 11 GLN : amide:sc= -0.95 K(o=-0.95,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 159:sc= 0.244 (180deg=-0.127) USER MOD Single : A 26 TYR OH : rot 30:sc= -0.219 USER MOD Single : A 30 THR OG1 : rot 32:sc= 0.00594 USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-3.1!) USER MOD Single : A 35 LYS NZ :NH3+ -173:sc= -0.0166 (180deg=-0.112) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 48 MET CE :methyl 174:sc= -0.003 (180deg=-0.059) USER MOD Single : A 52 LYS NZ :NH3+ -174:sc= 0.308 (180deg=0.212) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.292 USER MOD Single : A 56 LYS NZ :NH3+ -134:sc= -0.373 (180deg=-2.15!) USER MOD Single : A 64 LYS NZ :NH3+ -161:sc= 0.47 (180deg=0.0619) USER MOD Single : A 65 GLN : amide:sc= -0.0527 X(o=-0.053,f=0) USER MOD Single : A 69 SER OG : rot 77:sc= 0.761 USER MOD Single : A 72 LYS NZ :NH3+ -144:sc= 0.0284 (180deg=-0.496) USER MOD Single : A 77 SER OG : rot 35:sc= 0.291 USER MOD Single : A 78 SER OG : rot 180:sc= 0.0142 USER MOD Single : A 81 ASN : amide:sc= 0.0866 X(o=0.087,f=-0.011) USER MOD Single : A 85 SER OG : rot 77:sc= 0.914 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -0.397 X(o=-0.4,f=-0.18) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 110:sc= -0.281 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ -164:sc= 0.485 (180deg=0.384) USER MOD Single : A 105 LYS NZ :NH3+ -152:sc= 0.984 (180deg=0.292) USER MOD Single : A 113 LYS NZ :NH3+ -176:sc= 0.262 (180deg=0.256) USER MOD Single : A 117 SER OG : rot -123:sc= 0.901 USER MOD Single : A 120 HIS : no HD1:sc= 0.00284 X(o=0.0028,f=-0.04) USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 122 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 123 HIS : no HE2:sc= 0.0637 X(o=0.064,f=-0.33) USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 125 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.120 4.933 -5.150 1.00 14.32 N ATOM 2 CA MET A 1 15.604 6.145 -4.457 1.00 12.12 C ATOM 3 C MET A 1 14.847 6.328 -3.120 1.00 4.43 C ATOM 4 O MET A 1 15.300 5.826 -2.083 1.00 12.44 O ATOM 5 CB MET A 1 15.489 7.387 -5.388 1.00 1.41 C ATOM 6 CG MET A 1 15.996 8.706 -4.778 1.00 21.42 C ATOM 7 SD MET A 1 15.888 10.089 -5.940 1.00 31.23 S ATOM 8 CE MET A 1 16.329 11.482 -4.897 1.00 52.54 C ATOM 0 H1 MET A 1 15.920 4.292 -5.328 1.00 14.32 H new ATOM 0 H2 MET A 1 14.415 4.451 -4.556 1.00 14.32 H new ATOM 0 H3 MET A 1 14.684 5.201 -6.055 1.00 14.32 H new ATOM 0 HA MET A 1 16.661 6.031 -4.216 1.00 12.12 H new ATOM 0 HB2 MET A 1 16.047 7.189 -6.303 1.00 1.41 H new ATOM 0 HB3 MET A 1 14.444 7.514 -5.673 1.00 1.41 H new ATOM 0 HG2 MET A 1 15.414 8.938 -3.886 1.00 21.42 H new ATOM 0 HG3 MET A 1 17.031 8.582 -4.460 1.00 21.42 H new ATOM 0 HE1 MET A 1 16.303 12.399 -5.485 1.00 52.54 H new ATOM 0 HE2 MET A 1 15.619 11.559 -4.073 1.00 52.54 H new ATOM 0 HE3 MET A 1 17.333 11.335 -4.499 1.00 52.54 H new ATOM 20 N GLY A 2 13.671 6.991 -3.145 1.00 53.43 N ATOM 21 CA GLY A 2 12.935 7.291 -1.916 1.00 13.45 C ATOM 22 C GLY A 2 11.660 8.069 -2.196 1.00 62.33 C ATOM 23 O GLY A 2 11.666 9.304 -2.215 1.00 74.11 O ATOM 0 H GLY A 2 13.221 7.323 -3.998 1.00 53.43 H new ATOM 0 HA2 GLY A 2 12.688 6.361 -1.404 1.00 13.45 H new ATOM 0 HA3 GLY A 2 13.571 7.866 -1.243 1.00 13.45 H new ATOM 27 N LYS A 3 10.573 7.336 -2.433 1.00 1.31 N ATOM 28 CA LYS A 3 9.248 7.900 -2.692 1.00 21.24 C ATOM 29 C LYS A 3 8.211 6.893 -2.195 1.00 54.12 C ATOM 30 O LYS A 3 7.881 5.931 -2.904 1.00 73.42 O ATOM 31 CB LYS A 3 9.044 8.224 -4.204 1.00 52.44 C ATOM 32 CG LYS A 3 7.739 8.994 -4.523 1.00 34.41 C ATOM 33 CD LYS A 3 7.696 10.374 -3.825 1.00 33.12 C ATOM 34 CE LYS A 3 6.391 11.136 -4.080 1.00 53.34 C ATOM 35 NZ LYS A 3 6.414 12.477 -3.438 1.00 22.33 N ATOM 0 H LYS A 3 10.588 6.316 -2.451 1.00 1.31 H new ATOM 0 HA LYS A 3 9.139 8.847 -2.163 1.00 21.24 H new ATOM 0 HB2 LYS A 3 9.893 8.811 -4.555 1.00 52.44 H new ATOM 0 HB3 LYS A 3 9.047 7.291 -4.767 1.00 52.44 H new ATOM 0 HG2 LYS A 3 7.652 9.130 -5.601 1.00 34.41 H new ATOM 0 HG3 LYS A 3 6.881 8.401 -4.207 1.00 34.41 H new ATOM 0 HD2 LYS A 3 7.825 10.236 -2.752 1.00 33.12 H new ATOM 0 HD3 LYS A 3 8.535 10.976 -4.172 1.00 33.12 H new ATOM 0 HE2 LYS A 3 6.236 11.247 -5.153 1.00 53.34 H new ATOM 0 HE3 LYS A 3 5.550 10.560 -3.694 1.00 53.34 H new ATOM 0 HZ1 LYS A 3 5.517 12.968 -3.628 1.00 22.33 H new ATOM 0 HZ2 LYS A 3 6.538 12.368 -2.411 1.00 22.33 H new ATOM 0 HZ3 LYS A 3 7.203 13.034 -3.825 1.00 22.33 H new ATOM 49 N VAL A 4 7.784 7.087 -0.937 1.00 61.30 N ATOM 50 CA VAL A 4 6.759 6.281 -0.277 1.00 75.00 C ATOM 51 C VAL A 4 5.397 6.906 -0.588 1.00 15.24 C ATOM 52 O VAL A 4 5.179 8.083 -0.281 1.00 33.30 O ATOM 53 CB VAL A 4 6.959 6.229 1.293 1.00 43.33 C ATOM 54 CG1 VAL A 4 6.071 5.126 1.936 1.00 1.21 C ATOM 55 CG2 VAL A 4 8.457 6.070 1.677 1.00 42.12 C ATOM 0 H VAL A 4 8.154 7.828 -0.341 1.00 61.30 H new ATOM 0 HA VAL A 4 6.828 5.258 -0.648 1.00 75.00 H new ATOM 0 HB VAL A 4 6.632 7.186 1.700 1.00 43.33 H new ATOM 0 HG11 VAL A 4 6.230 5.114 3.014 1.00 1.21 H new ATOM 0 HG12 VAL A 4 5.022 5.335 1.726 1.00 1.21 H new ATOM 0 HG13 VAL A 4 6.338 4.155 1.519 1.00 1.21 H new ATOM 0 HG21 VAL A 4 8.553 6.038 2.762 1.00 42.12 H new ATOM 0 HG22 VAL A 4 8.846 5.145 1.251 1.00 42.12 H new ATOM 0 HG23 VAL A 4 9.024 6.915 1.287 1.00 42.12 H new ATOM 65 N VAL A 5 4.515 6.146 -1.239 1.00 3.43 N ATOM 66 CA VAL A 5 3.147 6.586 -1.547 1.00 13.21 C ATOM 67 C VAL A 5 2.156 5.591 -0.927 1.00 74.42 C ATOM 68 O VAL A 5 2.097 4.437 -1.341 1.00 73.22 O ATOM 69 CB VAL A 5 2.911 6.708 -3.106 1.00 21.53 C ATOM 70 CG1 VAL A 5 1.437 7.057 -3.436 1.00 13.43 C ATOM 71 CG2 VAL A 5 3.882 7.741 -3.742 1.00 21.42 C ATOM 0 H VAL A 5 4.727 5.205 -1.570 1.00 3.43 H new ATOM 0 HA VAL A 5 2.992 7.578 -1.123 1.00 13.21 H new ATOM 0 HB VAL A 5 3.123 5.732 -3.543 1.00 21.53 H new ATOM 0 HG11 VAL A 5 1.314 7.132 -4.516 1.00 13.43 H new ATOM 0 HG12 VAL A 5 0.783 6.275 -3.050 1.00 13.43 H new ATOM 0 HG13 VAL A 5 1.176 8.009 -2.974 1.00 13.43 H new ATOM 0 HG21 VAL A 5 3.696 7.803 -4.814 1.00 21.42 H new ATOM 0 HG22 VAL A 5 3.721 8.719 -3.289 1.00 21.42 H new ATOM 0 HG23 VAL A 5 4.911 7.427 -3.570 1.00 21.42 H new ATOM 81 N PHE A 6 1.408 6.036 0.094 1.00 70.12 N ATOM 82 CA PHE A 6 0.335 5.242 0.694 1.00 5.43 C ATOM 83 C PHE A 6 -0.978 5.524 -0.048 1.00 35.14 C ATOM 84 O PHE A 6 -1.534 6.616 0.040 1.00 22.50 O ATOM 85 CB PHE A 6 0.178 5.556 2.205 1.00 30.44 C ATOM 86 CG PHE A 6 -0.856 4.684 2.912 1.00 22.21 C ATOM 87 CD1 PHE A 6 -0.551 3.368 3.231 1.00 52.24 C ATOM 88 CD2 PHE A 6 -2.136 5.157 3.218 1.00 40.42 C ATOM 89 CE1 PHE A 6 -1.479 2.544 3.823 1.00 14.21 C ATOM 90 CE2 PHE A 6 -3.061 4.332 3.821 1.00 72.11 C ATOM 91 CZ PHE A 6 -2.731 3.022 4.115 1.00 13.22 C ATOM 0 H PHE A 6 1.532 6.953 0.523 1.00 70.12 H new ATOM 0 HA PHE A 6 0.589 4.186 0.603 1.00 5.43 H new ATOM 0 HB2 PHE A 6 1.143 5.428 2.695 1.00 30.44 H new ATOM 0 HB3 PHE A 6 -0.103 6.603 2.322 1.00 30.44 H new ATOM 0 HD1 PHE A 6 0.434 2.984 3.010 1.00 52.24 H new ATOM 0 HD2 PHE A 6 -2.402 6.176 2.980 1.00 40.42 H new ATOM 0 HE1 PHE A 6 -1.222 1.522 4.058 1.00 14.21 H new ATOM 0 HE2 PHE A 6 -4.044 4.709 4.064 1.00 72.11 H new ATOM 0 HZ PHE A 6 -3.461 2.373 4.576 1.00 13.22 H new ATOM 101 N LEU A 7 -1.445 4.540 -0.795 1.00 70.33 N ATOM 102 CA LEU A 7 -2.769 4.559 -1.415 1.00 73.34 C ATOM 103 C LEU A 7 -3.742 3.830 -0.471 1.00 53.25 C ATOM 104 O LEU A 7 -3.359 2.859 0.182 1.00 73.13 O ATOM 105 CB LEU A 7 -2.694 3.865 -2.801 1.00 73.22 C ATOM 106 CG LEU A 7 -4.031 3.744 -3.600 1.00 13.34 C ATOM 107 CD1 LEU A 7 -4.653 5.124 -3.885 1.00 1.44 C ATOM 108 CD2 LEU A 7 -3.826 2.936 -4.896 1.00 24.34 C ATOM 0 H LEU A 7 -0.914 3.692 -0.994 1.00 70.33 H new ATOM 0 HA LEU A 7 -3.120 5.579 -1.572 1.00 73.34 H new ATOM 0 HB2 LEU A 7 -1.979 4.411 -3.416 1.00 73.22 H new ATOM 0 HB3 LEU A 7 -2.292 2.862 -2.658 1.00 73.22 H new ATOM 0 HG LEU A 7 -4.740 3.200 -2.976 1.00 13.34 H new ATOM 0 HD11 LEU A 7 -5.581 4.997 -4.442 1.00 1.44 H new ATOM 0 HD12 LEU A 7 -4.862 5.630 -2.943 1.00 1.44 H new ATOM 0 HD13 LEU A 7 -3.957 5.723 -4.472 1.00 1.44 H new ATOM 0 HD21 LEU A 7 -4.771 2.866 -5.434 1.00 24.34 H new ATOM 0 HD22 LEU A 7 -3.087 3.435 -5.523 1.00 24.34 H new ATOM 0 HD23 LEU A 7 -3.474 1.934 -4.649 1.00 24.34 H new ATOM 120 N SER A 8 -4.970 4.342 -0.344 1.00 12.12 N ATOM 121 CA SER A 8 -6.048 3.671 0.397 1.00 3.32 C ATOM 122 C SER A 8 -7.398 4.073 -0.197 1.00 3.33 C ATOM 123 O SER A 8 -7.488 5.025 -0.967 1.00 43.32 O ATOM 124 CB SER A 8 -5.984 4.029 1.902 1.00 24.14 C ATOM 125 OG SER A 8 -6.999 3.393 2.672 1.00 73.05 O ATOM 0 H SER A 8 -5.247 5.235 -0.752 1.00 12.12 H new ATOM 0 HA SER A 8 -5.925 2.592 0.307 1.00 3.32 H new ATOM 0 HB2 SER A 8 -5.007 3.746 2.295 1.00 24.14 H new ATOM 0 HB3 SER A 8 -6.073 5.109 2.016 1.00 24.14 H new ATOM 0 HG SER A 8 -7.147 2.486 2.332 1.00 73.05 H new ATOM 131 N ASP A 9 -8.432 3.314 0.151 1.00 43.24 N ATOM 132 CA ASP A 9 -9.828 3.587 -0.257 1.00 70.42 C ATOM 133 C ASP A 9 -10.680 3.873 1.000 1.00 33.24 C ATOM 134 O ASP A 9 -11.889 4.101 0.914 1.00 32.44 O ATOM 135 CB ASP A 9 -10.385 2.356 -1.050 1.00 14.14 C ATOM 136 CG ASP A 9 -11.116 2.725 -2.358 1.00 43.41 C ATOM 137 OD1 ASP A 9 -10.472 2.723 -3.417 1.00 34.31 O ATOM 138 OD2 ASP A 9 -12.332 2.988 -2.337 1.00 43.13 O ATOM 0 H ASP A 9 -8.336 2.480 0.730 1.00 43.24 H new ATOM 0 HA ASP A 9 -9.869 4.462 -0.906 1.00 70.42 H new ATOM 0 HB2 ASP A 9 -9.559 1.685 -1.285 1.00 14.14 H new ATOM 0 HB3 ASP A 9 -11.070 1.804 -0.407 1.00 14.14 H new ATOM 143 N ASP A 10 -10.005 3.882 2.164 1.00 43.54 N ATOM 144 CA ASP A 10 -10.629 3.871 3.493 1.00 42.35 C ATOM 145 C ASP A 10 -10.071 5.052 4.325 1.00 15.12 C ATOM 146 O ASP A 10 -8.860 5.114 4.536 1.00 41.03 O ATOM 147 CB ASP A 10 -10.285 2.524 4.193 1.00 63.45 C ATOM 148 CG ASP A 10 -10.608 1.257 3.379 1.00 4.34 C ATOM 149 OD1 ASP A 10 -11.760 0.770 3.438 1.00 41.32 O ATOM 150 OD2 ASP A 10 -9.698 0.723 2.696 1.00 1.03 O ATOM 0 H ASP A 10 -8.986 3.898 2.204 1.00 43.54 H new ATOM 0 HA ASP A 10 -11.711 3.973 3.405 1.00 42.35 H new ATOM 0 HB2 ASP A 10 -9.222 2.520 4.434 1.00 63.45 H new ATOM 0 HB3 ASP A 10 -10.826 2.476 5.138 1.00 63.45 H new ATOM 155 N GLN A 11 -10.955 5.959 4.803 1.00 52.14 N ATOM 156 CA GLN A 11 -10.557 7.223 5.477 1.00 74.35 C ATOM 157 C GLN A 11 -9.816 7.016 6.828 1.00 12.04 C ATOM 158 O GLN A 11 -8.711 7.544 6.990 1.00 4.41 O ATOM 159 CB GLN A 11 -11.787 8.152 5.685 1.00 23.32 C ATOM 160 CG GLN A 11 -11.464 9.523 6.336 1.00 23.44 C ATOM 161 CD GLN A 11 -10.502 10.389 5.509 1.00 3.03 C ATOM 162 OE1 GLN A 11 -10.931 11.175 4.669 1.00 31.54 O ATOM 163 NE2 GLN A 11 -9.193 10.261 5.733 1.00 61.43 N ATOM 0 H GLN A 11 -11.965 5.837 4.733 1.00 52.14 H new ATOM 0 HA GLN A 11 -9.843 7.697 4.803 1.00 74.35 H new ATOM 0 HB2 GLN A 11 -12.260 8.327 4.719 1.00 23.32 H new ATOM 0 HB3 GLN A 11 -12.516 7.633 6.307 1.00 23.32 H new ATOM 0 HG2 GLN A 11 -12.394 10.071 6.487 1.00 23.44 H new ATOM 0 HG3 GLN A 11 -11.030 9.354 7.322 1.00 23.44 H new ATOM 0 HE21 GLN A 11 -8.858 9.602 6.436 1.00 61.43 H new ATOM 0 HE22 GLN A 11 -8.527 10.822 5.202 1.00 61.43 H new ATOM 172 N GLU A 12 -10.442 6.278 7.785 1.00 14.52 N ATOM 173 CA GLU A 12 -9.884 6.051 9.158 1.00 3.02 C ATOM 174 C GLU A 12 -8.438 5.531 9.103 1.00 43.41 C ATOM 175 O GLU A 12 -7.585 5.916 9.912 1.00 10.12 O ATOM 176 CB GLU A 12 -10.752 5.043 9.952 1.00 41.31 C ATOM 177 CG GLU A 12 -12.219 5.450 10.179 1.00 33.51 C ATOM 178 CD GLU A 12 -13.011 4.343 10.895 1.00 0.41 C ATOM 179 OE1 GLU A 12 -13.113 4.370 12.139 1.00 32.45 O ATOM 180 OE2 GLU A 12 -13.481 3.409 10.219 1.00 4.33 O ATOM 0 H GLU A 12 -11.343 5.824 7.633 1.00 14.52 H new ATOM 0 HA GLU A 12 -9.893 7.016 9.664 1.00 3.02 H new ATOM 0 HB2 GLU A 12 -10.737 4.088 9.426 1.00 41.31 H new ATOM 0 HB3 GLU A 12 -10.286 4.879 10.924 1.00 41.31 H new ATOM 0 HG2 GLU A 12 -12.256 6.365 10.771 1.00 33.51 H new ATOM 0 HG3 GLU A 12 -12.688 5.671 9.220 1.00 33.51 H new ATOM 187 N ILE A 13 -8.213 4.658 8.120 1.00 22.22 N ATOM 188 CA ILE A 13 -6.910 4.104 7.780 1.00 23.34 C ATOM 189 C ILE A 13 -5.878 5.228 7.499 1.00 15.51 C ATOM 190 O ILE A 13 -4.833 5.287 8.142 1.00 10.22 O ATOM 191 CB ILE A 13 -7.067 3.200 6.507 1.00 32.22 C ATOM 192 CG1 ILE A 13 -8.035 1.989 6.758 1.00 34.23 C ATOM 193 CG2 ILE A 13 -5.707 2.738 5.988 1.00 10.53 C ATOM 194 CD1 ILE A 13 -7.575 0.968 7.777 1.00 73.25 C ATOM 0 H ILE A 13 -8.961 4.308 7.521 1.00 22.22 H new ATOM 0 HA ILE A 13 -6.544 3.517 8.622 1.00 23.34 H new ATOM 0 HB ILE A 13 -7.527 3.812 5.731 1.00 32.22 H new ATOM 0 HG12 ILE A 13 -9.000 2.382 7.078 1.00 34.23 H new ATOM 0 HG13 ILE A 13 -8.198 1.478 5.809 1.00 34.23 H new ATOM 0 HG21 ILE A 13 -5.847 2.113 5.106 1.00 10.53 H new ATOM 0 HG22 ILE A 13 -5.103 3.607 5.725 1.00 10.53 H new ATOM 0 HG23 ILE A 13 -5.198 2.163 6.762 1.00 10.53 H new ATOM 0 HD11 ILE A 13 -8.323 0.180 7.866 1.00 73.25 H new ATOM 0 HD12 ILE A 13 -6.628 0.535 7.456 1.00 73.25 H new ATOM 0 HD13 ILE A 13 -7.443 1.453 8.744 1.00 73.25 H new ATOM 206 N ILE A 14 -6.233 6.119 6.545 1.00 65.10 N ATOM 207 CA ILE A 14 -5.375 7.231 6.070 1.00 15.13 C ATOM 208 C ILE A 14 -5.022 8.197 7.225 1.00 1.33 C ATOM 209 O ILE A 14 -3.902 8.683 7.302 1.00 33.14 O ATOM 210 CB ILE A 14 -6.089 8.033 4.908 1.00 52.42 C ATOM 211 CG1 ILE A 14 -6.527 7.080 3.757 1.00 0.23 C ATOM 212 CG2 ILE A 14 -5.185 9.153 4.345 1.00 14.20 C ATOM 213 CD1 ILE A 14 -7.467 7.703 2.732 1.00 33.20 C ATOM 0 H ILE A 14 -7.138 6.086 6.076 1.00 65.10 H new ATOM 0 HA ILE A 14 -4.453 6.792 5.687 1.00 15.13 H new ATOM 0 HB ILE A 14 -6.976 8.496 5.341 1.00 52.42 H new ATOM 0 HG12 ILE A 14 -5.636 6.723 3.241 1.00 0.23 H new ATOM 0 HG13 ILE A 14 -7.014 6.208 4.193 1.00 0.23 H new ATOM 0 HG21 ILE A 14 -5.712 9.680 3.549 1.00 14.20 H new ATOM 0 HG22 ILE A 14 -4.936 9.854 5.141 1.00 14.20 H new ATOM 0 HG23 ILE A 14 -4.269 8.716 3.947 1.00 14.20 H new ATOM 0 HD11 ILE A 14 -7.716 6.964 1.970 1.00 33.20 H new ATOM 0 HD12 ILE A 14 -8.379 8.034 3.229 1.00 33.20 H new ATOM 0 HD13 ILE A 14 -6.979 8.557 2.263 1.00 33.20 H new ATOM 225 N GLU A 15 -5.997 8.421 8.129 1.00 2.33 N ATOM 226 CA GLU A 15 -5.862 9.332 9.290 1.00 33.24 C ATOM 227 C GLU A 15 -4.807 8.805 10.277 1.00 72.23 C ATOM 228 O GLU A 15 -4.014 9.574 10.835 1.00 71.40 O ATOM 229 CB GLU A 15 -7.250 9.501 9.977 1.00 74.51 C ATOM 230 CG GLU A 15 -8.324 10.110 9.048 1.00 64.34 C ATOM 231 CD GLU A 15 -9.717 10.227 9.683 1.00 35.25 C ATOM 232 OE1 GLU A 15 -10.171 11.352 9.979 1.00 61.23 O ATOM 233 OE2 GLU A 15 -10.367 9.190 9.882 1.00 15.13 O ATOM 0 H GLU A 15 -6.911 7.971 8.075 1.00 2.33 H new ATOM 0 HA GLU A 15 -5.522 10.309 8.946 1.00 33.24 H new ATOM 0 HB2 GLU A 15 -7.594 8.528 10.329 1.00 74.51 H new ATOM 0 HB3 GLU A 15 -7.137 10.136 10.856 1.00 74.51 H new ATOM 0 HG2 GLU A 15 -7.996 11.101 8.734 1.00 64.34 H new ATOM 0 HG3 GLU A 15 -8.398 9.499 8.148 1.00 64.34 H new ATOM 240 N GLU A 16 -4.787 7.476 10.430 1.00 43.55 N ATOM 241 CA GLU A 16 -3.880 6.772 11.345 1.00 22.30 C ATOM 242 C GLU A 16 -2.470 6.606 10.752 1.00 4.44 C ATOM 243 O GLU A 16 -1.478 6.705 11.476 1.00 2.43 O ATOM 244 CB GLU A 16 -4.502 5.406 11.723 1.00 3.12 C ATOM 245 CG GLU A 16 -5.680 5.519 12.709 1.00 0.13 C ATOM 246 CD GLU A 16 -5.245 5.893 14.139 1.00 22.00 C ATOM 247 OE1 GLU A 16 -4.979 4.977 14.936 1.00 4.45 O ATOM 248 OE2 GLU A 16 -5.137 7.096 14.465 1.00 3.32 O ATOM 0 H GLU A 16 -5.408 6.851 9.916 1.00 43.55 H new ATOM 0 HA GLU A 16 -3.758 7.374 12.246 1.00 22.30 H new ATOM 0 HB2 GLU A 16 -4.844 4.908 10.816 1.00 3.12 H new ATOM 0 HB3 GLU A 16 -3.730 4.773 12.162 1.00 3.12 H new ATOM 0 HG2 GLU A 16 -6.381 6.269 12.342 1.00 0.13 H new ATOM 0 HG3 GLU A 16 -6.214 4.569 12.736 1.00 0.13 H new ATOM 255 N VAL A 17 -2.384 6.352 9.437 1.00 33.42 N ATOM 256 CA VAL A 17 -1.095 6.245 8.725 1.00 61.14 C ATOM 257 C VAL A 17 -0.426 7.629 8.623 1.00 21.41 C ATOM 258 O VAL A 17 0.797 7.731 8.709 1.00 1.13 O ATOM 259 CB VAL A 17 -1.292 5.593 7.303 1.00 73.22 C ATOM 260 CG1 VAL A 17 0.021 5.572 6.477 1.00 1.42 C ATOM 261 CG2 VAL A 17 -1.880 4.168 7.448 1.00 61.32 C ATOM 0 H VAL A 17 -3.198 6.215 8.838 1.00 33.42 H new ATOM 0 HA VAL A 17 -0.434 5.592 9.295 1.00 61.14 H new ATOM 0 HB VAL A 17 -1.998 6.214 6.751 1.00 73.22 H new ATOM 0 HG11 VAL A 17 -0.167 5.113 5.506 1.00 1.42 H new ATOM 0 HG12 VAL A 17 0.377 6.592 6.334 1.00 1.42 H new ATOM 0 HG13 VAL A 17 0.777 4.996 7.010 1.00 1.42 H new ATOM 0 HG21 VAL A 17 -2.012 3.727 6.460 1.00 61.32 H new ATOM 0 HG22 VAL A 17 -1.198 3.551 8.033 1.00 61.32 H new ATOM 0 HG23 VAL A 17 -2.844 4.222 7.953 1.00 61.32 H new ATOM 271 N SER A 18 -1.252 8.681 8.457 1.00 73.13 N ATOM 272 CA SER A 18 -0.794 10.085 8.445 1.00 22.45 C ATOM 273 C SER A 18 -0.344 10.518 9.854 1.00 74.21 C ATOM 274 O SER A 18 0.562 11.347 9.988 1.00 14.04 O ATOM 275 CB SER A 18 -1.926 11.002 7.922 1.00 2.23 C ATOM 276 OG SER A 18 -1.503 12.349 7.757 1.00 15.44 O ATOM 0 H SER A 18 -2.259 8.581 8.327 1.00 73.13 H new ATOM 0 HA SER A 18 0.063 10.173 7.777 1.00 22.45 H new ATOM 0 HB2 SER A 18 -2.288 10.619 6.968 1.00 2.23 H new ATOM 0 HB3 SER A 18 -2.765 10.971 8.617 1.00 2.23 H new ATOM 0 HG SER A 18 -2.251 12.888 7.424 1.00 15.44 H new ATOM 282 N LYS A 19 -1.004 9.951 10.901 1.00 73.22 N ATOM 283 CA LYS A 19 -0.598 10.126 12.317 1.00 24.41 C ATOM 284 C LYS A 19 0.819 9.573 12.527 1.00 3.11 C ATOM 285 O LYS A 19 1.713 10.293 12.973 1.00 32.44 O ATOM 286 CB LYS A 19 -1.623 9.425 13.272 1.00 50.32 C ATOM 287 CG LYS A 19 -1.240 9.393 14.782 1.00 73.13 C ATOM 288 CD LYS A 19 -0.980 10.793 15.391 1.00 71.53 C ATOM 289 CE LYS A 19 -2.200 11.726 15.330 1.00 23.24 C ATOM 290 NZ LYS A 19 -1.870 13.089 15.822 1.00 41.31 N ATOM 0 H LYS A 19 -1.829 9.363 10.784 1.00 73.22 H new ATOM 0 HA LYS A 19 -0.592 11.189 12.556 1.00 24.41 H new ATOM 0 HB2 LYS A 19 -2.585 9.928 13.172 1.00 50.32 H new ATOM 0 HB3 LYS A 19 -1.763 8.399 12.932 1.00 50.32 H new ATOM 0 HG2 LYS A 19 -2.041 8.907 15.340 1.00 73.13 H new ATOM 0 HG3 LYS A 19 -0.347 8.781 14.908 1.00 73.13 H new ATOM 0 HD2 LYS A 19 -0.673 10.677 16.431 1.00 71.53 H new ATOM 0 HD3 LYS A 19 -0.148 11.261 14.864 1.00 71.53 H new ATOM 0 HE2 LYS A 19 -2.562 11.787 14.304 1.00 23.24 H new ATOM 0 HE3 LYS A 19 -3.009 11.308 15.929 1.00 23.24 H new ATOM 0 HZ1 LYS A 19 -2.715 13.692 15.767 1.00 41.31 H new ATOM 0 HZ2 LYS A 19 -1.548 13.033 16.809 1.00 41.31 H new ATOM 0 HZ3 LYS A 19 -1.115 13.497 15.234 1.00 41.31 H new ATOM 304 N LYS A 20 0.998 8.296 12.146 1.00 64.13 N ATOM 305 CA LYS A 20 2.282 7.575 12.217 1.00 71.31 C ATOM 306 C LYS A 20 3.391 8.324 11.440 1.00 73.40 C ATOM 307 O LYS A 20 4.508 8.520 11.946 1.00 64.12 O ATOM 308 CB LYS A 20 2.058 6.142 11.647 1.00 0.34 C ATOM 309 CG LYS A 20 3.311 5.237 11.566 1.00 5.13 C ATOM 310 CD LYS A 20 3.967 4.970 12.937 1.00 5.25 C ATOM 311 CE LYS A 20 3.104 4.120 13.888 1.00 60.41 C ATOM 312 NZ LYS A 20 3.814 3.874 15.174 1.00 43.20 N ATOM 0 H LYS A 20 0.240 7.725 11.773 1.00 64.13 H new ATOM 0 HA LYS A 20 2.619 7.515 13.252 1.00 71.31 H new ATOM 0 HB2 LYS A 20 1.312 5.640 12.264 1.00 0.34 H new ATOM 0 HB3 LYS A 20 1.636 6.233 10.646 1.00 0.34 H new ATOM 0 HG2 LYS A 20 3.033 4.285 11.113 1.00 5.13 H new ATOM 0 HG3 LYS A 20 4.043 5.702 10.906 1.00 5.13 H new ATOM 0 HD2 LYS A 20 4.921 4.466 12.780 1.00 5.25 H new ATOM 0 HD3 LYS A 20 4.185 5.924 13.416 1.00 5.25 H new ATOM 0 HE2 LYS A 20 2.160 4.629 14.081 1.00 60.41 H new ATOM 0 HE3 LYS A 20 2.862 3.169 13.414 1.00 60.41 H new ATOM 0 HZ1 LYS A 20 3.123 3.626 15.910 1.00 43.20 H new ATOM 0 HZ2 LYS A 20 4.488 3.091 15.054 1.00 43.20 H new ATOM 0 HZ3 LYS A 20 4.328 4.733 15.457 1.00 43.20 H new ATOM 326 N ALA A 21 3.031 8.779 10.229 1.00 75.14 N ATOM 327 CA ALA A 21 3.945 9.473 9.314 1.00 63.51 C ATOM 328 C ALA A 21 4.390 10.834 9.877 1.00 35.11 C ATOM 329 O ALA A 21 5.553 11.208 9.728 1.00 35.30 O ATOM 330 CB ALA A 21 3.274 9.642 7.949 1.00 61.23 C ATOM 0 H ALA A 21 2.088 8.673 9.856 1.00 75.14 H new ATOM 0 HA ALA A 21 4.843 8.866 9.201 1.00 63.51 H new ATOM 0 HB1 ALA A 21 3.954 10.157 7.271 1.00 61.23 H new ATOM 0 HB2 ALA A 21 3.028 8.662 7.541 1.00 61.23 H new ATOM 0 HB3 ALA A 21 2.361 10.227 8.062 1.00 61.23 H new ATOM 336 N GLU A 22 3.461 11.549 10.546 1.00 33.21 N ATOM 337 CA GLU A 22 3.734 12.888 11.105 1.00 4.25 C ATOM 338 C GLU A 22 4.683 12.793 12.314 1.00 31.01 C ATOM 339 O GLU A 22 5.694 13.507 12.366 1.00 44.41 O ATOM 340 CB GLU A 22 2.407 13.604 11.494 1.00 21.42 C ATOM 341 CG GLU A 22 2.600 15.041 12.035 1.00 61.22 C ATOM 342 CD GLU A 22 1.282 15.780 12.323 1.00 73.11 C ATOM 343 OE1 GLU A 22 0.889 15.898 13.505 1.00 54.20 O ATOM 344 OE2 GLU A 22 0.630 16.248 11.367 1.00 42.34 O ATOM 0 H GLU A 22 2.511 11.218 10.712 1.00 33.21 H new ATOM 0 HA GLU A 22 4.227 13.484 10.337 1.00 4.25 H new ATOM 0 HB2 GLU A 22 1.757 13.641 10.620 1.00 21.42 H new ATOM 0 HB3 GLU A 22 1.893 13.009 12.249 1.00 21.42 H new ATOM 0 HG2 GLU A 22 3.189 14.998 12.951 1.00 61.22 H new ATOM 0 HG3 GLU A 22 3.178 15.617 11.312 1.00 61.22 H new ATOM 351 N GLU A 23 4.352 11.886 13.259 1.00 42.41 N ATOM 352 CA GLU A 23 5.136 11.664 14.500 1.00 11.14 C ATOM 353 C GLU A 23 6.600 11.313 14.191 1.00 44.23 C ATOM 354 O GLU A 23 7.526 11.927 14.734 1.00 31.21 O ATOM 355 CB GLU A 23 4.513 10.514 15.332 1.00 52.24 C ATOM 356 CG GLU A 23 3.082 10.784 15.825 1.00 23.01 C ATOM 357 CD GLU A 23 2.455 9.562 16.511 1.00 24.44 C ATOM 358 OE1 GLU A 23 2.072 8.614 15.799 1.00 13.43 O ATOM 359 OE2 GLU A 23 2.352 9.534 17.754 1.00 61.41 O ATOM 0 H GLU A 23 3.532 11.284 13.185 1.00 42.41 H new ATOM 0 HA GLU A 23 5.110 12.594 15.067 1.00 11.14 H new ATOM 0 HB2 GLU A 23 4.510 9.606 14.728 1.00 52.24 H new ATOM 0 HB3 GLU A 23 5.150 10.321 16.195 1.00 52.24 H new ATOM 0 HG2 GLU A 23 3.094 11.622 16.522 1.00 23.01 H new ATOM 0 HG3 GLU A 23 2.460 11.081 14.980 1.00 23.01 H new ATOM 366 N GLU A 24 6.784 10.331 13.291 1.00 51.10 N ATOM 367 CA GLU A 24 8.113 9.801 12.948 1.00 53.41 C ATOM 368 C GLU A 24 8.819 10.667 11.891 1.00 11.45 C ATOM 369 O GLU A 24 10.029 10.535 11.693 1.00 54.50 O ATOM 370 CB GLU A 24 7.993 8.330 12.462 1.00 11.40 C ATOM 371 CG GLU A 24 7.255 7.385 13.438 1.00 30.33 C ATOM 372 CD GLU A 24 7.811 7.433 14.876 1.00 1.02 C ATOM 373 OE1 GLU A 24 7.180 8.064 15.757 1.00 22.52 O ATOM 374 OE2 GLU A 24 8.898 6.871 15.125 1.00 43.44 O ATOM 0 H GLU A 24 6.019 9.885 12.784 1.00 51.10 H new ATOM 0 HA GLU A 24 8.726 9.829 13.849 1.00 53.41 H new ATOM 0 HB2 GLU A 24 7.473 8.319 11.504 1.00 11.40 H new ATOM 0 HB3 GLU A 24 8.994 7.937 12.285 1.00 11.40 H new ATOM 0 HG2 GLU A 24 6.197 7.648 13.456 1.00 30.33 H new ATOM 0 HG3 GLU A 24 7.323 6.363 13.064 1.00 30.33 H new ATOM 381 N GLY A 25 8.052 11.555 11.223 1.00 41.51 N ATOM 382 CA GLY A 25 8.585 12.439 10.178 1.00 13.04 C ATOM 383 C GLY A 25 8.750 11.751 8.822 1.00 13.31 C ATOM 384 O GLY A 25 9.486 12.246 7.960 1.00 32.15 O ATOM 0 H GLY A 25 7.054 11.675 11.395 1.00 41.51 H new ATOM 0 HA2 GLY A 25 7.920 13.295 10.064 1.00 13.04 H new ATOM 0 HA3 GLY A 25 9.552 12.827 10.500 1.00 13.04 H new ATOM 388 N TYR A 26 8.056 10.609 8.645 1.00 53.31 N ATOM 389 CA TYR A 26 8.048 9.843 7.385 1.00 13.11 C ATOM 390 C TYR A 26 7.338 10.645 6.278 1.00 40.41 C ATOM 391 O TYR A 26 6.171 11.010 6.442 1.00 13.33 O ATOM 392 CB TYR A 26 7.295 8.486 7.567 1.00 62.25 C ATOM 393 CG TYR A 26 7.923 7.455 8.521 1.00 3.20 C ATOM 394 CD1 TYR A 26 9.308 7.349 8.681 1.00 53.43 C ATOM 395 CD2 TYR A 26 7.120 6.535 9.216 1.00 53.32 C ATOM 396 CE1 TYR A 26 9.865 6.378 9.494 1.00 14.24 C ATOM 397 CE2 TYR A 26 7.676 5.570 10.036 1.00 75.32 C ATOM 398 CZ TYR A 26 9.049 5.493 10.170 1.00 41.33 C ATOM 399 OH TYR A 26 9.607 4.515 10.972 1.00 1.12 O ATOM 0 H TYR A 26 7.482 10.191 9.377 1.00 53.31 H new ATOM 0 HA TYR A 26 9.084 9.653 7.106 1.00 13.11 H new ATOM 0 HB2 TYR A 26 6.287 8.704 7.921 1.00 62.25 H new ATOM 0 HB3 TYR A 26 7.195 8.021 6.586 1.00 62.25 H new ATOM 0 HD1 TYR A 26 9.956 8.039 8.160 1.00 53.43 H new ATOM 0 HD2 TYR A 26 6.046 6.582 9.108 1.00 53.32 H new ATOM 0 HE1 TYR A 26 10.938 6.312 9.600 1.00 14.24 H new ATOM 0 HE2 TYR A 26 7.040 4.879 10.569 1.00 75.32 H new ATOM 0 HH TYR A 26 10.458 4.837 11.337 1.00 1.12 H new ATOM 409 N ASP A 27 8.048 10.922 5.170 1.00 11.10 N ATOM 410 CA ASP A 27 7.450 11.534 3.972 1.00 71.31 C ATOM 411 C ASP A 27 6.693 10.455 3.185 1.00 2.24 C ATOM 412 O ASP A 27 7.303 9.567 2.582 1.00 72.25 O ATOM 413 CB ASP A 27 8.531 12.206 3.085 1.00 33.14 C ATOM 414 CG ASP A 27 9.158 13.444 3.754 1.00 23.14 C ATOM 415 OD1 ASP A 27 8.536 14.526 3.719 1.00 12.42 O ATOM 416 OD2 ASP A 27 10.277 13.343 4.311 1.00 14.23 O ATOM 0 H ASP A 27 9.046 10.729 5.081 1.00 11.10 H new ATOM 0 HA ASP A 27 6.755 12.315 4.280 1.00 71.31 H new ATOM 0 HB2 ASP A 27 9.315 11.482 2.862 1.00 33.14 H new ATOM 0 HB3 ASP A 27 8.086 12.498 2.134 1.00 33.14 H new ATOM 421 N ILE A 28 5.358 10.509 3.263 1.00 13.30 N ATOM 422 CA ILE A 28 4.452 9.550 2.606 1.00 73.14 C ATOM 423 C ILE A 28 3.321 10.327 1.897 1.00 25.45 C ATOM 424 O ILE A 28 2.660 11.163 2.525 1.00 74.50 O ATOM 425 CB ILE A 28 3.821 8.547 3.655 1.00 65.33 C ATOM 426 CG1 ILE A 28 4.922 7.850 4.519 1.00 5.42 C ATOM 427 CG2 ILE A 28 2.948 7.494 2.944 1.00 74.20 C ATOM 428 CD1 ILE A 28 4.393 6.934 5.608 1.00 41.32 C ATOM 0 H ILE A 28 4.866 11.230 3.791 1.00 13.30 H new ATOM 0 HA ILE A 28 5.027 8.971 1.883 1.00 73.14 H new ATOM 0 HB ILE A 28 3.190 9.129 4.327 1.00 65.33 H new ATOM 0 HG12 ILE A 28 5.569 7.271 3.860 1.00 5.42 H new ATOM 0 HG13 ILE A 28 5.542 8.618 4.980 1.00 5.42 H new ATOM 0 HG21 ILE A 28 2.524 6.814 3.683 1.00 74.20 H new ATOM 0 HG22 ILE A 28 2.143 7.993 2.405 1.00 74.20 H new ATOM 0 HG23 ILE A 28 3.560 6.929 2.241 1.00 74.20 H new ATOM 0 HD11 ILE A 28 5.229 6.497 6.154 1.00 41.32 H new ATOM 0 HD12 ILE A 28 3.771 7.507 6.296 1.00 41.32 H new ATOM 0 HD13 ILE A 28 3.798 6.139 5.158 1.00 41.32 H new ATOM 440 N GLN A 29 3.121 10.072 0.592 1.00 11.45 N ATOM 441 CA GLN A 29 1.992 10.627 -0.173 1.00 24.31 C ATOM 442 C GLN A 29 0.750 9.750 0.056 1.00 21.14 C ATOM 443 O GLN A 29 0.687 8.628 -0.439 1.00 14.13 O ATOM 444 CB GLN A 29 2.357 10.688 -1.687 1.00 31.34 C ATOM 445 CG GLN A 29 1.201 11.051 -2.655 1.00 23.15 C ATOM 446 CD GLN A 29 0.558 12.414 -2.386 1.00 61.21 C ATOM 447 OE1 GLN A 29 1.002 13.437 -2.904 1.00 74.21 O ATOM 448 NE2 GLN A 29 -0.505 12.440 -1.599 1.00 64.42 N ATOM 0 H GLN A 29 3.737 9.476 0.039 1.00 11.45 H new ATOM 0 HA GLN A 29 1.776 11.641 0.165 1.00 24.31 H new ATOM 0 HB2 GLN A 29 3.156 11.418 -1.818 1.00 31.34 H new ATOM 0 HB3 GLN A 29 2.760 9.719 -1.982 1.00 31.34 H new ATOM 0 HG2 GLN A 29 1.580 11.037 -3.677 1.00 23.15 H new ATOM 0 HG3 GLN A 29 0.433 10.281 -2.590 1.00 23.15 H new ATOM 0 HE21 GLN A 29 -0.852 11.576 -1.182 1.00 64.42 H new ATOM 0 HE22 GLN A 29 -0.977 13.324 -1.409 1.00 64.42 H new ATOM 457 N THR A 30 -0.229 10.272 0.800 1.00 63.35 N ATOM 458 CA THR A 30 -1.488 9.569 1.074 1.00 12.41 C ATOM 459 C THR A 30 -2.576 10.070 0.103 1.00 3.54 C ATOM 460 O THR A 30 -2.788 11.281 -0.028 1.00 44.13 O ATOM 461 CB THR A 30 -1.921 9.737 2.572 1.00 44.42 C ATOM 462 OG1 THR A 30 -1.856 11.119 2.952 1.00 21.44 O ATOM 463 CG2 THR A 30 -1.049 8.900 3.539 1.00 63.23 C ATOM 0 H THR A 30 -0.172 11.195 1.230 1.00 63.35 H new ATOM 0 HA THR A 30 -1.343 8.501 0.911 1.00 12.41 H new ATOM 0 HB THR A 30 -2.945 9.372 2.648 1.00 44.42 H new ATOM 0 HG1 THR A 30 -2.066 11.681 2.177 1.00 21.44 H new ATOM 0 HG21 THR A 30 -1.391 9.053 4.562 1.00 63.23 H new ATOM 0 HG22 THR A 30 -1.132 7.844 3.282 1.00 63.23 H new ATOM 0 HG23 THR A 30 -0.008 9.213 3.454 1.00 63.23 H new ATOM 471 N SER A 31 -3.229 9.127 -0.607 1.00 14.23 N ATOM 472 CA SER A 31 -4.194 9.428 -1.690 1.00 61.33 C ATOM 473 C SER A 31 -5.263 8.314 -1.783 1.00 60.33 C ATOM 474 O SER A 31 -5.102 7.238 -1.191 1.00 32.21 O ATOM 475 CB SER A 31 -3.444 9.581 -3.048 1.00 2.03 C ATOM 476 OG SER A 31 -2.459 10.602 -2.980 1.00 71.14 O ATOM 0 H SER A 31 -3.102 8.128 -0.445 1.00 14.23 H new ATOM 0 HA SER A 31 -4.697 10.368 -1.462 1.00 61.33 H new ATOM 0 HB2 SER A 31 -2.973 8.635 -3.314 1.00 2.03 H new ATOM 0 HB3 SER A 31 -4.159 9.814 -3.837 1.00 2.03 H new ATOM 0 HG SER A 31 -2.003 10.675 -3.845 1.00 71.14 H new ATOM 482 N ASN A 32 -6.369 8.602 -2.506 1.00 23.34 N ATOM 483 CA ASN A 32 -7.438 7.612 -2.820 1.00 52.04 C ATOM 484 C ASN A 32 -7.532 7.384 -4.329 1.00 42.41 C ATOM 485 O ASN A 32 -8.048 6.348 -4.770 1.00 62.21 O ATOM 486 CB ASN A 32 -8.834 8.059 -2.292 1.00 53.12 C ATOM 487 CG ASN A 32 -8.916 8.146 -0.771 1.00 62.33 C ATOM 488 OD1 ASN A 32 -8.079 8.779 -0.132 1.00 33.45 O ATOM 489 ND2 ASN A 32 -9.913 7.503 -0.170 1.00 50.32 N ATOM 0 H ASN A 32 -6.551 9.529 -2.892 1.00 23.34 H new ATOM 0 HA ASN A 32 -7.161 6.687 -2.315 1.00 52.04 H new ATOM 0 HB2 ASN A 32 -9.078 9.033 -2.716 1.00 53.12 H new ATOM 0 HB3 ASN A 32 -9.589 7.358 -2.648 1.00 53.12 H new ATOM 0 HD21 ASN A 32 -9.997 7.528 0.846 1.00 50.32 H new ATOM 0 HD22 ASN A 32 -10.594 6.985 -0.725 1.00 50.32 H new ATOM 496 N ASP A 33 -7.041 8.363 -5.107 1.00 43.33 N ATOM 497 CA ASP A 33 -7.069 8.319 -6.577 1.00 74.11 C ATOM 498 C ASP A 33 -6.115 7.228 -7.081 1.00 60.25 C ATOM 499 O ASP A 33 -4.946 7.499 -7.349 1.00 22.32 O ATOM 500 CB ASP A 33 -6.700 9.709 -7.164 1.00 32.34 C ATOM 501 CG ASP A 33 -7.615 10.830 -6.649 1.00 51.43 C ATOM 502 OD1 ASP A 33 -8.560 11.232 -7.361 1.00 4.10 O ATOM 503 OD2 ASP A 33 -7.400 11.304 -5.518 1.00 33.43 O ATOM 0 H ASP A 33 -6.612 9.209 -4.732 1.00 43.33 H new ATOM 0 HA ASP A 33 -8.076 8.074 -6.913 1.00 74.11 H new ATOM 0 HB2 ASP A 33 -5.666 9.944 -6.910 1.00 32.34 H new ATOM 0 HB3 ASP A 33 -6.760 9.667 -8.252 1.00 32.34 H new ATOM 508 N LYS A 34 -6.625 5.974 -7.158 1.00 14.54 N ATOM 509 CA LYS A 34 -5.829 4.810 -7.591 1.00 60.31 C ATOM 510 C LYS A 34 -5.348 5.019 -9.037 1.00 72.22 C ATOM 511 O LYS A 34 -4.257 4.612 -9.388 1.00 1.02 O ATOM 512 CB LYS A 34 -6.647 3.486 -7.454 1.00 54.14 C ATOM 513 CG LYS A 34 -7.730 3.268 -8.542 1.00 31.32 C ATOM 514 CD LYS A 34 -8.560 1.967 -8.384 1.00 10.52 C ATOM 515 CE LYS A 34 -9.637 2.025 -7.272 1.00 21.51 C ATOM 516 NZ LYS A 34 -9.074 2.126 -5.899 1.00 53.14 N ATOM 0 H LYS A 34 -7.591 5.747 -6.923 1.00 14.54 H new ATOM 0 HA LYS A 34 -4.958 4.720 -6.942 1.00 60.31 H new ATOM 0 HB2 LYS A 34 -5.954 2.645 -7.479 1.00 54.14 H new ATOM 0 HB3 LYS A 34 -7.128 3.474 -6.476 1.00 54.14 H new ATOM 0 HG2 LYS A 34 -8.410 4.119 -8.533 1.00 31.32 H new ATOM 0 HG3 LYS A 34 -7.246 3.257 -9.519 1.00 31.32 H new ATOM 0 HD2 LYS A 34 -9.047 1.744 -9.333 1.00 10.52 H new ATOM 0 HD3 LYS A 34 -7.881 1.141 -8.172 1.00 10.52 H new ATOM 0 HE2 LYS A 34 -10.287 2.881 -7.452 1.00 21.51 H new ATOM 0 HE3 LYS A 34 -10.260 1.133 -7.335 1.00 21.51 H new ATOM 0 HZ1 LYS A 34 -9.778 1.793 -5.210 1.00 53.14 H new ATOM 0 HZ2 LYS A 34 -8.218 1.539 -5.831 1.00 53.14 H new ATOM 0 HZ3 LYS A 34 -8.831 3.117 -5.695 1.00 53.14 H new ATOM 530 N LYS A 35 -6.191 5.714 -9.829 1.00 34.21 N ATOM 531 CA LYS A 35 -5.913 6.071 -11.231 1.00 24.23 C ATOM 532 C LYS A 35 -4.684 6.983 -11.346 1.00 22.22 C ATOM 533 O LYS A 35 -3.849 6.801 -12.237 1.00 60.22 O ATOM 534 CB LYS A 35 -7.156 6.771 -11.829 1.00 2.42 C ATOM 535 CG LYS A 35 -8.433 5.899 -11.850 1.00 11.44 C ATOM 536 CD LYS A 35 -8.328 4.686 -12.798 1.00 0.30 C ATOM 537 CE LYS A 35 -8.112 5.094 -14.268 1.00 14.25 C ATOM 538 NZ LYS A 35 -9.186 5.995 -14.766 1.00 64.43 N ATOM 0 H LYS A 35 -7.099 6.047 -9.504 1.00 34.21 H new ATOM 0 HA LYS A 35 -5.696 5.159 -11.787 1.00 24.23 H new ATOM 0 HB2 LYS A 35 -7.358 7.676 -11.257 1.00 2.42 H new ATOM 0 HB3 LYS A 35 -6.927 7.083 -12.848 1.00 2.42 H new ATOM 0 HG2 LYS A 35 -8.640 5.545 -10.840 1.00 11.44 H new ATOM 0 HG3 LYS A 35 -9.280 6.515 -12.152 1.00 11.44 H new ATOM 0 HD2 LYS A 35 -7.503 4.050 -12.477 1.00 0.30 H new ATOM 0 HD3 LYS A 35 -9.238 4.091 -12.721 1.00 0.30 H new ATOM 0 HE2 LYS A 35 -7.148 5.592 -14.367 1.00 14.25 H new ATOM 0 HE3 LYS A 35 -8.074 4.199 -14.889 1.00 14.25 H new ATOM 0 HZ1 LYS A 35 -9.065 6.148 -15.788 1.00 64.43 H new ATOM 0 HZ2 LYS A 35 -10.114 5.560 -14.588 1.00 64.43 H new ATOM 0 HZ3 LYS A 35 -9.131 6.908 -14.271 1.00 64.43 H new ATOM 552 N GLU A 36 -4.598 7.964 -10.424 1.00 12.34 N ATOM 553 CA GLU A 36 -3.460 8.880 -10.330 1.00 12.34 C ATOM 554 C GLU A 36 -2.193 8.107 -9.946 1.00 4.42 C ATOM 555 O GLU A 36 -1.150 8.296 -10.543 1.00 21.23 O ATOM 556 CB GLU A 36 -3.725 9.982 -9.274 1.00 10.30 C ATOM 557 CG GLU A 36 -2.563 10.987 -9.094 1.00 23.31 C ATOM 558 CD GLU A 36 -2.692 11.848 -7.831 1.00 53.14 C ATOM 559 OE1 GLU A 36 -2.179 11.433 -6.769 1.00 64.50 O ATOM 560 OE2 GLU A 36 -3.288 12.945 -7.895 1.00 43.22 O ATOM 0 H GLU A 36 -5.321 8.137 -9.726 1.00 12.34 H new ATOM 0 HA GLU A 36 -3.323 9.350 -11.304 1.00 12.34 H new ATOM 0 HB2 GLU A 36 -4.623 10.531 -9.557 1.00 10.30 H new ATOM 0 HB3 GLU A 36 -3.930 9.507 -8.315 1.00 10.30 H new ATOM 0 HG2 GLU A 36 -1.621 10.439 -9.057 1.00 23.31 H new ATOM 0 HG3 GLU A 36 -2.518 11.639 -9.966 1.00 23.31 H new ATOM 567 N ILE A 37 -2.310 7.219 -8.946 1.00 10.40 N ATOM 568 CA ILE A 37 -1.152 6.510 -8.385 1.00 54.21 C ATOM 569 C ILE A 37 -0.565 5.495 -9.400 1.00 64.31 C ATOM 570 O ILE A 37 0.658 5.368 -9.504 1.00 30.31 O ATOM 571 CB ILE A 37 -1.514 5.833 -7.012 1.00 61.31 C ATOM 572 CG1 ILE A 37 -2.110 6.885 -6.010 1.00 14.12 C ATOM 573 CG2 ILE A 37 -0.286 5.142 -6.396 1.00 35.40 C ATOM 574 CD1 ILE A 37 -1.258 8.129 -5.779 1.00 33.12 C ATOM 0 H ILE A 37 -3.199 6.975 -8.509 1.00 10.40 H new ATOM 0 HA ILE A 37 -0.372 7.244 -8.186 1.00 54.21 H new ATOM 0 HB ILE A 37 -2.271 5.073 -7.205 1.00 61.31 H new ATOM 0 HG12 ILE A 37 -3.087 7.198 -6.378 1.00 14.12 H new ATOM 0 HG13 ILE A 37 -2.273 6.395 -5.050 1.00 14.12 H new ATOM 0 HG21 ILE A 37 -0.565 4.682 -5.448 1.00 35.40 H new ATOM 0 HG22 ILE A 37 0.080 4.374 -7.078 1.00 35.40 H new ATOM 0 HG23 ILE A 37 0.499 5.879 -6.225 1.00 35.40 H new ATOM 0 HD11 ILE A 37 -1.761 8.788 -5.072 1.00 33.12 H new ATOM 0 HD12 ILE A 37 -0.289 7.836 -5.376 1.00 33.12 H new ATOM 0 HD13 ILE A 37 -1.115 8.653 -6.724 1.00 33.12 H new ATOM 586 N ILE A 38 -1.452 4.832 -10.179 1.00 73.31 N ATOM 587 CA ILE A 38 -1.070 3.962 -11.323 1.00 14.23 C ATOM 588 C ILE A 38 -0.298 4.797 -12.371 1.00 15.22 C ATOM 589 O ILE A 38 0.707 4.346 -12.918 1.00 12.14 O ATOM 590 CB ILE A 38 -2.356 3.287 -11.977 1.00 24.41 C ATOM 591 CG1 ILE A 38 -3.023 2.270 -10.990 1.00 0.34 C ATOM 592 CG2 ILE A 38 -2.047 2.602 -13.335 1.00 74.35 C ATOM 593 CD1 ILE A 38 -4.389 1.747 -11.428 1.00 41.51 C ATOM 0 H ILE A 38 -2.460 4.884 -10.033 1.00 73.31 H new ATOM 0 HA ILE A 38 -0.425 3.162 -10.959 1.00 14.23 H new ATOM 0 HB ILE A 38 -3.059 4.095 -12.178 1.00 24.41 H new ATOM 0 HG12 ILE A 38 -2.351 1.422 -10.857 1.00 0.34 H new ATOM 0 HG13 ILE A 38 -3.129 2.748 -10.016 1.00 0.34 H new ATOM 0 HG21 ILE A 38 -2.959 2.159 -13.735 1.00 74.35 H new ATOM 0 HG22 ILE A 38 -1.665 3.343 -14.038 1.00 74.35 H new ATOM 0 HG23 ILE A 38 -1.299 1.823 -13.188 1.00 74.35 H new ATOM 0 HD11 ILE A 38 -4.769 1.050 -10.681 1.00 41.51 H new ATOM 0 HD12 ILE A 38 -5.082 2.582 -11.531 1.00 41.51 H new ATOM 0 HD13 ILE A 38 -4.293 1.235 -12.385 1.00 41.51 H new ATOM 605 N ASP A 39 -0.773 6.040 -12.586 1.00 63.42 N ATOM 606 CA ASP A 39 -0.173 7.022 -13.520 1.00 5.41 C ATOM 607 C ASP A 39 1.255 7.425 -13.070 1.00 32.44 C ATOM 608 O ASP A 39 2.146 7.592 -13.902 1.00 61.24 O ATOM 609 CB ASP A 39 -1.108 8.263 -13.596 1.00 75.20 C ATOM 610 CG ASP A 39 -0.675 9.347 -14.594 1.00 43.41 C ATOM 611 OD1 ASP A 39 -1.182 9.360 -15.733 1.00 40.11 O ATOM 612 OD2 ASP A 39 0.144 10.217 -14.237 1.00 51.12 O ATOM 0 H ASP A 39 -1.599 6.399 -12.108 1.00 63.42 H new ATOM 0 HA ASP A 39 -0.077 6.574 -14.509 1.00 5.41 H new ATOM 0 HB2 ASP A 39 -2.110 7.927 -13.861 1.00 75.20 H new ATOM 0 HB3 ASP A 39 -1.173 8.710 -12.604 1.00 75.20 H new ATOM 617 N ARG A 40 1.456 7.550 -11.743 1.00 71.03 N ATOM 618 CA ARG A 40 2.754 7.949 -11.139 1.00 14.33 C ATOM 619 C ARG A 40 3.746 6.769 -11.141 1.00 60.14 C ATOM 620 O ARG A 40 4.969 6.963 -11.191 1.00 24.22 O ATOM 621 CB ARG A 40 2.510 8.466 -9.698 1.00 34.10 C ATOM 622 CG ARG A 40 1.480 9.612 -9.622 1.00 54.33 C ATOM 623 CD ARG A 40 1.023 9.946 -8.189 1.00 13.23 C ATOM 624 NE ARG A 40 2.091 10.529 -7.370 1.00 2.40 N ATOM 625 CZ ARG A 40 1.913 11.407 -6.365 1.00 33.31 C ATOM 626 NH1 ARG A 40 0.691 11.843 -6.016 1.00 20.10 N ATOM 627 NH2 ARG A 40 2.978 11.855 -5.723 1.00 54.03 N ATOM 0 H ARG A 40 0.724 7.378 -11.054 1.00 71.03 H new ATOM 0 HA ARG A 40 3.196 8.748 -11.734 1.00 14.33 H new ATOM 0 HB2 ARG A 40 2.168 7.638 -9.077 1.00 34.10 H new ATOM 0 HB3 ARG A 40 3.456 8.810 -9.279 1.00 34.10 H new ATOM 0 HG2 ARG A 40 1.911 10.506 -10.073 1.00 54.33 H new ATOM 0 HG3 ARG A 40 0.608 9.344 -10.218 1.00 54.33 H new ATOM 0 HD2 ARG A 40 0.185 10.642 -8.233 1.00 13.23 H new ATOM 0 HD3 ARG A 40 0.658 9.038 -7.709 1.00 13.23 H new ATOM 0 HE ARG A 40 3.048 10.246 -7.579 1.00 2.40 H new ATOM 0 HH11 ARG A 40 -0.132 11.508 -6.517 1.00 20.10 H new ATOM 0 HH12 ARG A 40 0.586 12.509 -5.250 1.00 20.10 H new ATOM 0 HH21 ARG A 40 3.908 11.535 -5.993 1.00 54.03 H new ATOM 0 HH22 ARG A 40 2.870 12.521 -4.958 1.00 54.03 H new ATOM 641 N LEU A 41 3.190 5.544 -11.075 1.00 21.12 N ATOM 642 CA LEU A 41 3.943 4.289 -11.249 1.00 23.40 C ATOM 643 C LEU A 41 4.413 4.144 -12.721 1.00 10.20 C ATOM 644 O LEU A 41 5.488 3.602 -12.984 1.00 22.53 O ATOM 645 CB LEU A 41 3.058 3.079 -10.819 1.00 15.44 C ATOM 646 CG LEU A 41 2.717 2.956 -9.295 1.00 35.30 C ATOM 647 CD1 LEU A 41 1.587 1.926 -9.033 1.00 25.23 C ATOM 648 CD2 LEU A 41 3.982 2.617 -8.486 1.00 0.33 C ATOM 0 H LEU A 41 2.196 5.397 -10.898 1.00 21.12 H new ATOM 0 HA LEU A 41 4.829 4.309 -10.615 1.00 23.40 H new ATOM 0 HB2 LEU A 41 2.121 3.130 -11.373 1.00 15.44 H new ATOM 0 HB3 LEU A 41 3.562 2.163 -11.129 1.00 15.44 H new ATOM 0 HG LEU A 41 2.343 3.924 -8.961 1.00 35.30 H new ATOM 0 HD11 LEU A 41 1.383 1.873 -7.963 1.00 25.23 H new ATOM 0 HD12 LEU A 41 0.684 2.235 -9.559 1.00 25.23 H new ATOM 0 HD13 LEU A 41 1.899 0.945 -9.392 1.00 25.23 H new ATOM 0 HD21 LEU A 41 3.727 2.535 -7.429 1.00 0.33 H new ATOM 0 HD22 LEU A 41 4.394 1.670 -8.834 1.00 0.33 H new ATOM 0 HD23 LEU A 41 4.722 3.406 -8.621 1.00 0.33 H new ATOM 660 N LYS A 42 3.592 4.658 -13.671 1.00 25.42 N ATOM 661 CA LYS A 42 3.950 4.727 -15.112 1.00 42.43 C ATOM 662 C LYS A 42 5.128 5.703 -15.334 1.00 15.43 C ATOM 663 O LYS A 42 5.948 5.501 -16.237 1.00 63.23 O ATOM 664 CB LYS A 42 2.732 5.176 -15.969 1.00 35.23 C ATOM 665 CG LYS A 42 1.544 4.196 -15.968 1.00 21.41 C ATOM 666 CD LYS A 42 0.343 4.712 -16.805 1.00 53.14 C ATOM 667 CE LYS A 42 -0.872 3.780 -16.723 1.00 73.32 C ATOM 668 NZ LYS A 42 -2.010 4.252 -17.559 1.00 32.54 N ATOM 0 H LYS A 42 2.667 5.035 -13.462 1.00 25.42 H new ATOM 0 HA LYS A 42 4.250 3.727 -15.427 1.00 42.43 H new ATOM 0 HB2 LYS A 42 2.387 6.144 -15.605 1.00 35.23 H new ATOM 0 HB3 LYS A 42 3.063 5.322 -16.997 1.00 35.23 H new ATOM 0 HG2 LYS A 42 1.871 3.234 -16.363 1.00 21.41 H new ATOM 0 HG3 LYS A 42 1.220 4.025 -14.941 1.00 21.41 H new ATOM 0 HD2 LYS A 42 0.060 5.705 -16.455 1.00 53.14 H new ATOM 0 HD3 LYS A 42 0.648 4.816 -17.846 1.00 53.14 H new ATOM 0 HE2 LYS A 42 -0.581 2.780 -17.043 1.00 73.32 H new ATOM 0 HE3 LYS A 42 -1.196 3.701 -15.685 1.00 73.32 H new ATOM 0 HZ1 LYS A 42 -2.806 3.588 -17.469 1.00 32.54 H new ATOM 0 HZ2 LYS A 42 -2.308 5.195 -17.239 1.00 32.54 H new ATOM 0 HZ3 LYS A 42 -1.712 4.302 -18.554 1.00 32.54 H new ATOM 682 N ARG A 43 5.188 6.764 -14.492 1.00 45.33 N ATOM 683 CA ARG A 43 6.297 7.749 -14.494 1.00 62.25 C ATOM 684 C ARG A 43 7.573 7.153 -13.855 1.00 11.23 C ATOM 685 O ARG A 43 8.636 7.779 -13.911 1.00 71.11 O ATOM 686 CB ARG A 43 5.899 9.057 -13.733 1.00 33.24 C ATOM 687 CG ARG A 43 4.566 9.696 -14.183 1.00 4.42 C ATOM 688 CD ARG A 43 4.214 10.960 -13.383 1.00 41.22 C ATOM 689 NE ARG A 43 2.838 11.418 -13.637 1.00 72.51 N ATOM 690 CZ ARG A 43 2.361 12.649 -13.376 1.00 31.31 C ATOM 691 NH1 ARG A 43 3.134 13.587 -12.832 1.00 50.21 N ATOM 692 NH2 ARG A 43 1.089 12.916 -13.618 1.00 51.24 N ATOM 0 H ARG A 43 4.470 6.960 -13.794 1.00 45.33 H new ATOM 0 HA ARG A 43 6.502 7.996 -15.536 1.00 62.25 H new ATOM 0 HB2 ARG A 43 5.836 8.835 -12.668 1.00 33.24 H new ATOM 0 HB3 ARG A 43 6.696 9.789 -13.859 1.00 33.24 H new ATOM 0 HG2 ARG A 43 4.627 9.947 -15.242 1.00 4.42 H new ATOM 0 HG3 ARG A 43 3.763 8.967 -14.074 1.00 4.42 H new ATOM 0 HD2 ARG A 43 4.337 10.759 -12.319 1.00 41.22 H new ATOM 0 HD3 ARG A 43 4.913 11.756 -13.640 1.00 41.22 H new ATOM 0 HE ARG A 43 2.191 10.744 -14.046 1.00 72.51 H new ATOM 0 HH11 ARG A 43 4.106 13.378 -12.606 1.00 50.21 H new ATOM 0 HH12 ARG A 43 2.754 14.514 -12.642 1.00 50.21 H new ATOM 0 HH21 ARG A 43 0.479 12.192 -13.999 1.00 51.24 H new ATOM 0 HH22 ARG A 43 0.717 13.846 -13.424 1.00 51.24 H new ATOM 706 N ARG A 44 7.435 5.944 -13.222 1.00 21.31 N ATOM 707 CA ARG A 44 8.538 5.201 -12.544 1.00 14.41 C ATOM 708 C ARG A 44 9.047 5.981 -11.306 1.00 74.02 C ATOM 709 O ARG A 44 10.115 5.684 -10.762 1.00 2.44 O ATOM 710 CB ARG A 44 9.697 4.902 -13.553 1.00 70.53 C ATOM 711 CG ARG A 44 9.258 4.147 -14.841 1.00 64.24 C ATOM 712 CD ARG A 44 9.190 2.624 -14.682 1.00 74.01 C ATOM 713 NE ARG A 44 10.532 2.023 -14.526 1.00 1.24 N ATOM 714 CZ ARG A 44 10.945 0.885 -15.117 1.00 11.31 C ATOM 715 NH1 ARG A 44 10.130 0.194 -15.919 1.00 1.21 N ATOM 716 NH2 ARG A 44 12.180 0.450 -14.910 1.00 35.33 N ATOM 0 H ARG A 44 6.541 5.456 -13.171 1.00 21.31 H new ATOM 0 HA ARG A 44 8.149 4.246 -12.191 1.00 14.41 H new ATOM 0 HB2 ARG A 44 10.162 5.845 -13.841 1.00 70.53 H new ATOM 0 HB3 ARG A 44 10.460 4.313 -13.045 1.00 70.53 H new ATOM 0 HG2 ARG A 44 8.278 4.513 -15.148 1.00 64.24 H new ATOM 0 HG3 ARG A 44 9.954 4.387 -15.645 1.00 64.24 H new ATOM 0 HD2 ARG A 44 8.579 2.377 -13.814 1.00 74.01 H new ATOM 0 HD3 ARG A 44 8.697 2.190 -15.552 1.00 74.01 H new ATOM 0 HE ARG A 44 11.197 2.508 -13.924 1.00 1.24 H new ATOM 0 HH11 ARG A 44 9.181 0.526 -16.091 1.00 1.21 H new ATOM 0 HH12 ARG A 44 10.457 -0.666 -16.360 1.00 1.21 H new ATOM 0 HH21 ARG A 44 12.812 0.976 -14.306 1.00 35.33 H new ATOM 0 HH22 ARG A 44 12.499 -0.411 -15.355 1.00 35.33 H new ATOM 730 N ASN A 45 8.216 6.938 -10.842 1.00 31.33 N ATOM 731 CA ASN A 45 8.590 7.959 -9.840 1.00 74.04 C ATOM 732 C ASN A 45 8.588 7.380 -8.414 1.00 33.20 C ATOM 733 O ASN A 45 9.332 7.839 -7.538 1.00 54.44 O ATOM 734 CB ASN A 45 7.590 9.153 -9.931 1.00 64.44 C ATOM 735 CG ASN A 45 8.084 10.412 -9.206 1.00 11.44 C ATOM 736 OD1 ASN A 45 7.848 10.610 -8.010 1.00 70.04 O ATOM 737 ND2 ASN A 45 8.772 11.271 -9.930 1.00 70.12 N ATOM 0 H ASN A 45 7.250 7.024 -11.158 1.00 31.33 H new ATOM 0 HA ASN A 45 9.603 8.300 -10.056 1.00 74.04 H new ATOM 0 HB2 ASN A 45 7.413 9.391 -10.980 1.00 64.44 H new ATOM 0 HB3 ASN A 45 6.633 8.850 -9.507 1.00 64.44 H new ATOM 0 HD21 ASN A 45 9.126 12.128 -9.505 1.00 70.12 H new ATOM 0 HD22 ASN A 45 8.951 11.079 -10.916 1.00 70.12 H new ATOM 744 N ILE A 46 7.767 6.336 -8.224 1.00 24.10 N ATOM 745 CA ILE A 46 7.467 5.761 -6.906 1.00 41.52 C ATOM 746 C ILE A 46 8.463 4.623 -6.603 1.00 62.35 C ATOM 747 O ILE A 46 8.624 3.691 -7.402 1.00 2.22 O ATOM 748 CB ILE A 46 5.979 5.251 -6.837 1.00 72.34 C ATOM 749 CG1 ILE A 46 4.989 6.417 -7.179 1.00 74.25 C ATOM 750 CG2 ILE A 46 5.657 4.629 -5.453 1.00 4.22 C ATOM 751 CD1 ILE A 46 3.507 6.060 -7.135 1.00 14.41 C ATOM 0 H ILE A 46 7.288 5.863 -8.990 1.00 24.10 H new ATOM 0 HA ILE A 46 7.577 6.535 -6.147 1.00 41.52 H new ATOM 0 HB ILE A 46 5.854 4.464 -7.581 1.00 72.34 H new ATOM 0 HG12 ILE A 46 5.167 7.236 -6.483 1.00 74.25 H new ATOM 0 HG13 ILE A 46 5.225 6.789 -8.176 1.00 74.25 H new ATOM 0 HG21 ILE A 46 4.622 4.287 -5.440 1.00 4.22 H new ATOM 0 HG22 ILE A 46 6.321 3.784 -5.271 1.00 4.22 H new ATOM 0 HG23 ILE A 46 5.802 5.378 -4.675 1.00 4.22 H new ATOM 0 HD11 ILE A 46 2.913 6.939 -7.388 1.00 14.41 H new ATOM 0 HD12 ILE A 46 3.303 5.266 -7.853 1.00 14.41 H new ATOM 0 HD13 ILE A 46 3.244 5.720 -6.133 1.00 14.41 H new ATOM 763 N ASP A 47 9.146 4.741 -5.452 1.00 14.40 N ATOM 764 CA ASP A 47 10.193 3.796 -5.007 1.00 52.23 C ATOM 765 C ASP A 47 9.562 2.631 -4.235 1.00 60.24 C ATOM 766 O ASP A 47 10.003 1.478 -4.341 1.00 41.31 O ATOM 767 CB ASP A 47 11.214 4.548 -4.119 1.00 35.41 C ATOM 768 CG ASP A 47 12.226 3.635 -3.405 1.00 41.32 C ATOM 769 OD1 ASP A 47 12.030 3.325 -2.209 1.00 32.44 O ATOM 770 OD2 ASP A 47 13.215 3.216 -4.039 1.00 61.40 O ATOM 0 H ASP A 47 8.987 5.504 -4.794 1.00 14.40 H new ATOM 0 HA ASP A 47 10.708 3.387 -5.876 1.00 52.23 H new ATOM 0 HB2 ASP A 47 11.759 5.261 -4.737 1.00 35.41 H new ATOM 0 HB3 ASP A 47 10.671 5.125 -3.370 1.00 35.41 H new ATOM 775 N MET A 48 8.552 2.969 -3.432 1.00 21.44 N ATOM 776 CA MET A 48 7.756 2.007 -2.664 1.00 55.34 C ATOM 777 C MET A 48 6.340 2.562 -2.462 1.00 44.12 C ATOM 778 O MET A 48 6.144 3.770 -2.311 1.00 32.11 O ATOM 779 CB MET A 48 8.412 1.672 -1.298 1.00 30.00 C ATOM 780 CG MET A 48 8.697 2.877 -0.392 1.00 23.52 C ATOM 781 SD MET A 48 9.056 2.405 1.315 1.00 4.20 S ATOM 782 CE MET A 48 10.437 1.279 1.147 1.00 73.01 C ATOM 0 H MET A 48 8.258 3.936 -3.294 1.00 21.44 H new ATOM 0 HA MET A 48 7.706 1.077 -3.230 1.00 55.34 H new ATOM 0 HB2 MET A 48 7.762 0.981 -0.761 1.00 30.00 H new ATOM 0 HB3 MET A 48 9.350 1.148 -1.483 1.00 30.00 H new ATOM 0 HG2 MET A 48 9.542 3.436 -0.794 1.00 23.52 H new ATOM 0 HG3 MET A 48 7.837 3.546 -0.405 1.00 23.52 H new ATOM 0 HE1 MET A 48 10.809 1.010 2.135 1.00 73.01 H new ATOM 0 HE2 MET A 48 10.112 0.380 0.624 1.00 73.01 H new ATOM 0 HE3 MET A 48 11.233 1.761 0.579 1.00 73.01 H new ATOM 792 N ILE A 49 5.362 1.659 -2.446 1.00 13.45 N ATOM 793 CA ILE A 49 3.938 2.005 -2.379 1.00 20.14 C ATOM 794 C ILE A 49 3.223 1.021 -1.448 1.00 41.12 C ATOM 795 O ILE A 49 3.545 -0.164 -1.423 1.00 31.44 O ATOM 796 CB ILE A 49 3.293 2.004 -3.818 1.00 61.42 C ATOM 797 CG1 ILE A 49 1.761 2.299 -3.766 1.00 20.51 C ATOM 798 CG2 ILE A 49 3.594 0.687 -4.563 1.00 71.14 C ATOM 799 CD1 ILE A 49 1.071 2.272 -5.112 1.00 30.33 C ATOM 0 H ILE A 49 5.535 0.654 -2.479 1.00 13.45 H new ATOM 0 HA ILE A 49 3.829 3.012 -1.977 1.00 20.14 H new ATOM 0 HB ILE A 49 3.753 2.814 -4.383 1.00 61.42 H new ATOM 0 HG12 ILE A 49 1.285 1.567 -3.113 1.00 20.51 H new ATOM 0 HG13 ILE A 49 1.608 3.278 -3.313 1.00 20.51 H new ATOM 0 HG21 ILE A 49 3.137 0.716 -5.552 1.00 71.14 H new ATOM 0 HG22 ILE A 49 4.672 0.565 -4.665 1.00 71.14 H new ATOM 0 HG23 ILE A 49 3.186 -0.152 -3.999 1.00 71.14 H new ATOM 0 HD11 ILE A 49 0.010 2.487 -4.982 1.00 30.33 H new ATOM 0 HD12 ILE A 49 1.516 3.023 -5.764 1.00 30.33 H new ATOM 0 HD13 ILE A 49 1.189 1.286 -5.561 1.00 30.33 H new ATOM 811 N ILE A 50 2.278 1.529 -0.650 1.00 15.23 N ATOM 812 CA ILE A 50 1.537 0.738 0.340 1.00 63.43 C ATOM 813 C ILE A 50 0.030 0.993 0.136 1.00 35.31 C ATOM 814 O ILE A 50 -0.436 2.107 0.348 1.00 74.03 O ATOM 815 CB ILE A 50 1.996 1.111 1.806 1.00 24.01 C ATOM 816 CG1 ILE A 50 3.560 0.994 1.955 1.00 22.51 C ATOM 817 CG2 ILE A 50 1.263 0.242 2.850 1.00 42.41 C ATOM 818 CD1 ILE A 50 4.114 1.348 3.323 1.00 23.32 C ATOM 0 H ILE A 50 2.003 2.511 -0.673 1.00 15.23 H new ATOM 0 HA ILE A 50 1.743 -0.324 0.204 1.00 63.43 H new ATOM 0 HB ILE A 50 1.725 2.150 1.992 1.00 24.01 H new ATOM 0 HG12 ILE A 50 3.855 -0.028 1.716 1.00 22.51 H new ATOM 0 HG13 ILE A 50 4.028 1.642 1.214 1.00 22.51 H new ATOM 0 HG21 ILE A 50 1.596 0.517 3.851 1.00 42.41 H new ATOM 0 HG22 ILE A 50 0.188 0.403 2.768 1.00 42.41 H new ATOM 0 HG23 ILE A 50 1.487 -0.809 2.670 1.00 42.41 H new ATOM 0 HD11 ILE A 50 5.198 1.234 3.317 1.00 23.32 H new ATOM 0 HD12 ILE A 50 3.859 2.380 3.563 1.00 23.32 H new ATOM 0 HD13 ILE A 50 3.683 0.684 4.073 1.00 23.32 H new ATOM 830 N VAL A 51 -0.713 -0.035 -0.324 1.00 3.01 N ATOM 831 CA VAL A 51 -2.147 0.086 -0.671 1.00 53.15 C ATOM 832 C VAL A 51 -3.026 -0.701 0.323 1.00 4.43 C ATOM 833 O VAL A 51 -2.910 -1.927 0.419 1.00 15.42 O ATOM 834 CB VAL A 51 -2.432 -0.420 -2.135 1.00 15.14 C ATOM 835 CG1 VAL A 51 -3.914 -0.217 -2.538 1.00 22.51 C ATOM 836 CG2 VAL A 51 -1.480 0.244 -3.153 1.00 20.55 C ATOM 0 H VAL A 51 -0.337 -0.973 -0.466 1.00 3.01 H new ATOM 0 HA VAL A 51 -2.400 1.145 -0.612 1.00 53.15 H new ATOM 0 HB VAL A 51 -2.239 -1.493 -2.147 1.00 15.14 H new ATOM 0 HG11 VAL A 51 -4.068 -0.579 -3.555 1.00 22.51 H new ATOM 0 HG12 VAL A 51 -4.556 -0.772 -1.854 1.00 22.51 H new ATOM 0 HG13 VAL A 51 -4.162 0.843 -2.489 1.00 22.51 H new ATOM 0 HG21 VAL A 51 -1.702 -0.126 -4.154 1.00 20.55 H new ATOM 0 HG22 VAL A 51 -1.616 1.325 -3.127 1.00 20.55 H new ATOM 0 HG23 VAL A 51 -0.448 0.002 -2.898 1.00 20.55 H new ATOM 846 N LYS A 52 -3.896 0.022 1.056 1.00 3.34 N ATOM 847 CA LYS A 52 -4.963 -0.568 1.882 1.00 31.12 C ATOM 848 C LYS A 52 -6.301 -0.440 1.135 1.00 14.33 C ATOM 849 O LYS A 52 -6.821 0.668 0.971 1.00 35.20 O ATOM 850 CB LYS A 52 -5.050 0.120 3.280 1.00 52.44 C ATOM 851 CG LYS A 52 -6.334 -0.209 4.111 1.00 23.32 C ATOM 852 CD LYS A 52 -6.486 -1.697 4.495 1.00 21.43 C ATOM 853 CE LYS A 52 -7.830 -1.994 5.196 1.00 41.31 C ATOM 854 NZ LYS A 52 -9.006 -1.643 4.333 1.00 5.33 N ATOM 0 H LYS A 52 -3.876 1.041 1.090 1.00 3.34 H new ATOM 0 HA LYS A 52 -4.734 -1.620 2.054 1.00 31.12 H new ATOM 0 HB2 LYS A 52 -4.176 -0.169 3.864 1.00 52.44 H new ATOM 0 HB3 LYS A 52 -4.996 1.199 3.139 1.00 52.44 H new ATOM 0 HG2 LYS A 52 -6.324 0.389 5.022 1.00 23.32 H new ATOM 0 HG3 LYS A 52 -7.210 0.096 3.539 1.00 23.32 H new ATOM 0 HD2 LYS A 52 -6.405 -2.310 3.598 1.00 21.43 H new ATOM 0 HD3 LYS A 52 -5.666 -1.985 5.153 1.00 21.43 H new ATOM 0 HE2 LYS A 52 -7.876 -3.051 5.458 1.00 41.31 H new ATOM 0 HE3 LYS A 52 -7.884 -1.432 6.128 1.00 41.31 H new ATOM 0 HZ1 LYS A 52 -9.884 -1.762 4.878 1.00 5.33 H new ATOM 0 HZ2 LYS A 52 -8.924 -0.655 4.020 1.00 5.33 H new ATOM 0 HZ3 LYS A 52 -9.026 -2.269 3.503 1.00 5.33 H new ATOM 868 N THR A 53 -6.827 -1.575 0.664 1.00 11.13 N ATOM 869 CA THR A 53 -8.175 -1.668 0.093 1.00 73.44 C ATOM 870 C THR A 53 -8.574 -3.147 -0.032 1.00 0.52 C ATOM 871 O THR A 53 -7.716 -4.037 -0.045 1.00 63.04 O ATOM 872 CB THR A 53 -8.314 -0.938 -1.303 1.00 24.03 C ATOM 873 OG1 THR A 53 -9.680 -0.947 -1.736 1.00 61.11 O ATOM 874 CG2 THR A 53 -7.435 -1.560 -2.401 1.00 25.02 C ATOM 0 H THR A 53 -6.325 -2.463 0.668 1.00 11.13 H new ATOM 0 HA THR A 53 -8.851 -1.150 0.773 1.00 73.44 H new ATOM 0 HB THR A 53 -7.970 0.084 -1.147 1.00 24.03 H new ATOM 0 HG1 THR A 53 -9.752 -0.491 -2.600 1.00 61.11 H new ATOM 0 HG21 THR A 53 -7.577 -1.014 -3.333 1.00 25.02 H new ATOM 0 HG22 THR A 53 -6.388 -1.505 -2.103 1.00 25.02 H new ATOM 0 HG23 THR A 53 -7.717 -2.603 -2.545 1.00 25.02 H new ATOM 882 N GLU A 54 -9.888 -3.393 -0.073 1.00 2.54 N ATOM 883 CA GLU A 54 -10.467 -4.728 -0.336 1.00 10.42 C ATOM 884 C GLU A 54 -10.766 -4.885 -1.846 1.00 10.04 C ATOM 885 O GLU A 54 -11.147 -5.972 -2.304 1.00 5.14 O ATOM 886 CB GLU A 54 -11.761 -4.940 0.513 1.00 55.01 C ATOM 887 CG GLU A 54 -11.530 -5.166 2.031 1.00 72.43 C ATOM 888 CD GLU A 54 -10.811 -4.002 2.728 1.00 40.21 C ATOM 889 OE1 GLU A 54 -9.701 -4.197 3.271 1.00 13.23 O ATOM 890 OE2 GLU A 54 -11.340 -2.872 2.701 1.00 1.21 O ATOM 0 H GLU A 54 -10.591 -2.669 0.076 1.00 2.54 H new ATOM 0 HA GLU A 54 -9.745 -5.491 -0.044 1.00 10.42 H new ATOM 0 HB2 GLU A 54 -12.405 -4.070 0.386 1.00 55.01 H new ATOM 0 HB3 GLU A 54 -12.301 -5.798 0.113 1.00 55.01 H new ATOM 0 HG2 GLU A 54 -12.493 -5.328 2.515 1.00 72.43 H new ATOM 0 HG3 GLU A 54 -10.946 -6.076 2.169 1.00 72.43 H new ATOM 897 N ASP A 55 -10.601 -3.783 -2.610 1.00 3.12 N ATOM 898 CA ASP A 55 -10.768 -3.786 -4.075 1.00 23.02 C ATOM 899 C ASP A 55 -9.554 -4.516 -4.689 1.00 51.42 C ATOM 900 O ASP A 55 -8.484 -3.921 -4.878 1.00 14.12 O ATOM 901 CB ASP A 55 -10.902 -2.323 -4.616 1.00 32.34 C ATOM 902 CG ASP A 55 -11.394 -2.214 -6.082 1.00 5.13 C ATOM 903 OD1 ASP A 55 -12.238 -1.346 -6.378 1.00 31.15 O ATOM 904 OD2 ASP A 55 -10.929 -2.979 -6.960 1.00 71.23 O ATOM 0 H ASP A 55 -10.349 -2.871 -2.228 1.00 3.12 H new ATOM 0 HA ASP A 55 -11.683 -4.307 -4.356 1.00 23.02 H new ATOM 0 HB2 ASP A 55 -11.592 -1.775 -3.974 1.00 32.34 H new ATOM 0 HB3 ASP A 55 -9.933 -1.831 -4.535 1.00 32.34 H new ATOM 909 N LYS A 56 -9.737 -5.824 -4.924 1.00 21.41 N ATOM 910 CA LYS A 56 -8.717 -6.733 -5.484 1.00 51.31 C ATOM 911 C LYS A 56 -8.180 -6.265 -6.855 1.00 2.53 C ATOM 912 O LYS A 56 -7.013 -6.494 -7.176 1.00 30.41 O ATOM 913 CB LYS A 56 -9.332 -8.144 -5.632 1.00 61.12 C ATOM 914 CG LYS A 56 -9.779 -8.799 -4.305 1.00 74.02 C ATOM 915 CD LYS A 56 -10.662 -10.068 -4.484 1.00 32.02 C ATOM 916 CE LYS A 56 -9.993 -11.223 -5.258 1.00 11.54 C ATOM 917 NZ LYS A 56 -9.918 -10.968 -6.727 1.00 30.34 N ATOM 0 H LYS A 56 -10.620 -6.294 -4.726 1.00 21.41 H new ATOM 0 HA LYS A 56 -7.872 -6.740 -4.795 1.00 51.31 H new ATOM 0 HB2 LYS A 56 -10.193 -8.082 -6.298 1.00 61.12 H new ATOM 0 HB3 LYS A 56 -8.602 -8.794 -6.114 1.00 61.12 H new ATOM 0 HG2 LYS A 56 -8.893 -9.065 -3.728 1.00 74.02 H new ATOM 0 HG3 LYS A 56 -10.332 -8.065 -3.719 1.00 74.02 H new ATOM 0 HD2 LYS A 56 -10.953 -10.432 -3.499 1.00 32.02 H new ATOM 0 HD3 LYS A 56 -11.578 -9.785 -5.003 1.00 32.02 H new ATOM 0 HE2 LYS A 56 -8.987 -11.380 -4.869 1.00 11.54 H new ATOM 0 HE3 LYS A 56 -10.550 -12.143 -5.082 1.00 11.54 H new ATOM 0 HZ1 LYS A 56 -10.224 -11.818 -7.243 1.00 30.34 H new ATOM 0 HZ2 LYS A 56 -10.539 -10.171 -6.973 1.00 30.34 H new ATOM 0 HZ3 LYS A 56 -8.939 -10.737 -6.990 1.00 30.34 H new ATOM 931 N GLU A 57 -9.052 -5.624 -7.653 1.00 65.00 N ATOM 932 CA GLU A 57 -8.712 -5.157 -9.009 1.00 61.13 C ATOM 933 C GLU A 57 -7.827 -3.900 -8.945 1.00 23.23 C ATOM 934 O GLU A 57 -6.963 -3.698 -9.810 1.00 41.55 O ATOM 935 CB GLU A 57 -10.013 -4.911 -9.815 1.00 72.22 C ATOM 936 CG GLU A 57 -10.848 -6.192 -10.058 1.00 42.13 C ATOM 937 CD GLU A 57 -10.088 -7.284 -10.838 1.00 60.23 C ATOM 938 OE1 GLU A 57 -10.066 -7.224 -12.089 1.00 33.24 O ATOM 939 OE2 GLU A 57 -9.495 -8.199 -10.213 1.00 1.44 O ATOM 0 H GLU A 57 -10.011 -5.415 -7.377 1.00 65.00 H new ATOM 0 HA GLU A 57 -8.135 -5.925 -9.524 1.00 61.13 H new ATOM 0 HB2 GLU A 57 -10.627 -4.184 -9.284 1.00 72.22 H new ATOM 0 HB3 GLU A 57 -9.755 -4.468 -10.777 1.00 72.22 H new ATOM 0 HG2 GLU A 57 -11.165 -6.597 -9.097 1.00 42.13 H new ATOM 0 HG3 GLU A 57 -11.752 -5.928 -10.606 1.00 42.13 H new ATOM 946 N SER A 58 -8.041 -3.073 -7.895 1.00 51.23 N ATOM 947 CA SER A 58 -7.193 -1.902 -7.596 1.00 63.55 C ATOM 948 C SER A 58 -5.779 -2.393 -7.284 1.00 54.52 C ATOM 949 O SER A 58 -4.816 -2.001 -7.946 1.00 71.54 O ATOM 950 CB SER A 58 -7.765 -1.102 -6.391 1.00 51.42 C ATOM 951 OG SER A 58 -6.983 0.048 -6.079 1.00 24.12 O ATOM 0 H SER A 58 -8.807 -3.201 -7.233 1.00 51.23 H new ATOM 0 HA SER A 58 -7.174 -1.236 -8.458 1.00 63.55 H new ATOM 0 HB2 SER A 58 -8.786 -0.793 -6.616 1.00 51.42 H new ATOM 0 HB3 SER A 58 -7.814 -1.752 -5.518 1.00 51.42 H new ATOM 0 HG SER A 58 -6.918 0.145 -5.106 1.00 24.12 H new ATOM 957 N ILE A 59 -5.719 -3.326 -6.310 1.00 24.54 N ATOM 958 CA ILE A 59 -4.478 -3.947 -5.819 1.00 51.45 C ATOM 959 C ILE A 59 -3.665 -4.537 -6.991 1.00 64.11 C ATOM 960 O ILE A 59 -2.474 -4.255 -7.135 1.00 4.31 O ATOM 961 CB ILE A 59 -4.827 -5.080 -4.777 1.00 74.01 C ATOM 962 CG1 ILE A 59 -5.566 -4.491 -3.528 1.00 2.02 C ATOM 963 CG2 ILE A 59 -3.573 -5.867 -4.364 1.00 31.21 C ATOM 964 CD1 ILE A 59 -6.146 -5.530 -2.574 1.00 31.44 C ATOM 0 H ILE A 59 -6.552 -3.674 -5.835 1.00 24.54 H new ATOM 0 HA ILE A 59 -3.872 -3.183 -5.332 1.00 51.45 H new ATOM 0 HB ILE A 59 -5.506 -5.779 -5.265 1.00 74.01 H new ATOM 0 HG12 ILE A 59 -4.869 -3.861 -2.975 1.00 2.02 H new ATOM 0 HG13 ILE A 59 -6.374 -3.846 -3.873 1.00 2.02 H new ATOM 0 HG21 ILE A 59 -3.848 -6.639 -3.646 1.00 31.21 H new ATOM 0 HG22 ILE A 59 -3.129 -6.332 -5.244 1.00 31.21 H new ATOM 0 HG23 ILE A 59 -2.851 -5.189 -3.909 1.00 31.21 H new ATOM 0 HD11 ILE A 59 -6.637 -5.026 -1.742 1.00 31.44 H new ATOM 0 HD12 ILE A 59 -6.872 -6.146 -3.105 1.00 31.44 H new ATOM 0 HD13 ILE A 59 -5.344 -6.162 -2.193 1.00 31.44 H new ATOM 976 N SER A 60 -4.374 -5.307 -7.838 1.00 41.14 N ATOM 977 CA SER A 60 -3.814 -6.008 -9.001 1.00 32.24 C ATOM 978 C SER A 60 -3.055 -5.042 -9.929 1.00 73.45 C ATOM 979 O SER A 60 -1.858 -5.237 -10.173 1.00 4.41 O ATOM 980 CB SER A 60 -4.958 -6.720 -9.758 1.00 0.41 C ATOM 981 OG SER A 60 -4.515 -7.349 -10.946 1.00 65.31 O ATOM 0 H SER A 60 -5.376 -5.460 -7.727 1.00 41.14 H new ATOM 0 HA SER A 60 -3.092 -6.748 -8.655 1.00 32.24 H new ATOM 0 HB2 SER A 60 -5.413 -7.465 -9.105 1.00 0.41 H new ATOM 0 HB3 SER A 60 -5.734 -5.994 -10.003 1.00 0.41 H new ATOM 0 HG SER A 60 -3.730 -7.902 -10.750 1.00 65.31 H new ATOM 987 N GLU A 61 -3.753 -3.972 -10.386 1.00 65.10 N ATOM 988 CA GLU A 61 -3.200 -3.000 -11.352 1.00 13.22 C ATOM 989 C GLU A 61 -1.980 -2.265 -10.785 1.00 1.32 C ATOM 990 O GLU A 61 -0.979 -2.114 -11.495 1.00 44.14 O ATOM 991 CB GLU A 61 -4.279 -1.985 -11.815 1.00 52.22 C ATOM 992 CG GLU A 61 -5.483 -2.621 -12.532 1.00 13.52 C ATOM 993 CD GLU A 61 -5.082 -3.560 -13.685 1.00 4.21 C ATOM 994 OE1 GLU A 61 -5.261 -4.789 -13.563 1.00 4.54 O ATOM 995 OE2 GLU A 61 -4.556 -3.077 -14.709 1.00 24.23 O ATOM 0 H GLU A 61 -4.708 -3.763 -10.095 1.00 65.10 H new ATOM 0 HA GLU A 61 -2.872 -3.570 -12.221 1.00 13.22 H new ATOM 0 HB2 GLU A 61 -4.639 -1.434 -10.946 1.00 52.22 H new ATOM 0 HB3 GLU A 61 -3.815 -1.260 -12.483 1.00 52.22 H new ATOM 0 HG2 GLU A 61 -6.074 -3.180 -11.807 1.00 13.52 H new ATOM 0 HG3 GLU A 61 -6.123 -1.830 -12.923 1.00 13.52 H new ATOM 1002 N ILE A 62 -2.069 -1.839 -9.501 1.00 52.42 N ATOM 1003 CA ILE A 62 -0.954 -1.188 -8.787 1.00 63.01 C ATOM 1004 C ILE A 62 0.309 -2.072 -8.861 1.00 65.40 C ATOM 1005 O ILE A 62 1.331 -1.631 -9.394 1.00 20.54 O ATOM 1006 CB ILE A 62 -1.320 -0.828 -7.268 1.00 1.13 C ATOM 1007 CG1 ILE A 62 -2.001 0.589 -7.149 1.00 30.12 C ATOM 1008 CG2 ILE A 62 -0.093 -0.917 -6.316 1.00 41.44 C ATOM 1009 CD1 ILE A 62 -3.391 0.712 -7.746 1.00 3.23 C ATOM 0 H ILE A 62 -2.913 -1.939 -8.938 1.00 52.42 H new ATOM 0 HA ILE A 62 -0.755 -0.240 -9.286 1.00 63.01 H new ATOM 0 HB ILE A 62 -2.037 -1.584 -6.949 1.00 1.13 H new ATOM 0 HG12 ILE A 62 -2.056 0.856 -6.094 1.00 30.12 H new ATOM 0 HG13 ILE A 62 -1.354 1.322 -7.631 1.00 30.12 H new ATOM 0 HG21 ILE A 62 -0.400 -0.663 -5.302 1.00 41.44 H new ATOM 0 HG22 ILE A 62 0.306 -1.931 -6.331 1.00 41.44 H new ATOM 0 HG23 ILE A 62 0.676 -0.219 -6.647 1.00 41.44 H new ATOM 0 HD11 ILE A 62 -3.759 1.728 -7.605 1.00 3.23 H new ATOM 0 HD12 ILE A 62 -3.351 0.485 -8.811 1.00 3.23 H new ATOM 0 HD13 ILE A 62 -4.063 0.011 -7.251 1.00 3.23 H new ATOM 1021 N ILE A 63 0.182 -3.338 -8.396 1.00 73.43 N ATOM 1022 CA ILE A 63 1.312 -4.273 -8.277 1.00 31.33 C ATOM 1023 C ILE A 63 1.944 -4.527 -9.654 1.00 30.01 C ATOM 1024 O ILE A 63 3.158 -4.524 -9.765 1.00 61.14 O ATOM 1025 CB ILE A 63 0.888 -5.636 -7.617 1.00 3.10 C ATOM 1026 CG1 ILE A 63 0.300 -5.409 -6.192 1.00 30.11 C ATOM 1027 CG2 ILE A 63 2.078 -6.627 -7.557 1.00 65.34 C ATOM 1028 CD1 ILE A 63 -0.227 -6.668 -5.538 1.00 63.24 C ATOM 0 H ILE A 63 -0.709 -3.733 -8.095 1.00 73.43 H new ATOM 0 HA ILE A 63 2.048 -3.807 -7.622 1.00 31.33 H new ATOM 0 HB ILE A 63 0.112 -6.074 -8.244 1.00 3.10 H new ATOM 0 HG12 ILE A 63 1.072 -4.977 -5.556 1.00 30.11 H new ATOM 0 HG13 ILE A 63 -0.507 -4.679 -6.255 1.00 30.11 H new ATOM 0 HG21 ILE A 63 1.752 -7.559 -7.096 1.00 65.34 H new ATOM 0 HG22 ILE A 63 2.436 -6.828 -8.567 1.00 65.34 H new ATOM 0 HG23 ILE A 63 2.884 -6.192 -6.966 1.00 65.34 H new ATOM 0 HD11 ILE A 63 -0.619 -6.428 -4.550 1.00 63.24 H new ATOM 0 HD12 ILE A 63 -1.023 -7.091 -6.151 1.00 63.24 H new ATOM 0 HD13 ILE A 63 0.581 -7.393 -5.441 1.00 63.24 H new ATOM 1040 N LYS A 64 1.094 -4.672 -10.695 1.00 24.43 N ATOM 1041 CA LYS A 64 1.533 -4.868 -12.097 1.00 0.52 C ATOM 1042 C LYS A 64 2.503 -3.754 -12.531 1.00 72.12 C ATOM 1043 O LYS A 64 3.581 -4.038 -13.074 1.00 55.11 O ATOM 1044 CB LYS A 64 0.300 -4.912 -13.044 1.00 13.23 C ATOM 1045 CG LYS A 64 -0.568 -6.191 -12.915 1.00 42.23 C ATOM 1046 CD LYS A 64 -1.937 -6.061 -13.627 1.00 10.40 C ATOM 1047 CE LYS A 64 -1.828 -5.707 -15.120 1.00 15.24 C ATOM 1048 NZ LYS A 64 -3.173 -5.584 -15.743 1.00 24.30 N ATOM 0 H LYS A 64 0.080 -4.656 -10.587 1.00 24.43 H new ATOM 0 HA LYS A 64 2.061 -5.820 -12.160 1.00 0.52 H new ATOM 0 HB2 LYS A 64 -0.326 -4.042 -12.845 1.00 13.23 H new ATOM 0 HB3 LYS A 64 0.646 -4.826 -14.074 1.00 13.23 H new ATOM 0 HG2 LYS A 64 -0.024 -7.037 -13.334 1.00 42.23 H new ATOM 0 HG3 LYS A 64 -0.732 -6.409 -11.860 1.00 42.23 H new ATOM 0 HD2 LYS A 64 -2.480 -7.000 -13.524 1.00 10.40 H new ATOM 0 HD3 LYS A 64 -2.527 -5.295 -13.123 1.00 10.40 H new ATOM 0 HE2 LYS A 64 -1.284 -4.770 -15.235 1.00 15.24 H new ATOM 0 HE3 LYS A 64 -1.253 -6.475 -15.638 1.00 15.24 H new ATOM 0 HZ1 LYS A 64 -3.086 -5.667 -16.776 1.00 24.30 H new ATOM 0 HZ2 LYS A 64 -3.791 -6.340 -15.386 1.00 24.30 H new ATOM 0 HZ3 LYS A 64 -3.583 -4.659 -15.503 1.00 24.30 H new ATOM 1062 N GLN A 65 2.118 -2.492 -12.248 1.00 73.30 N ATOM 1063 CA GLN A 65 2.950 -1.314 -12.562 1.00 30.04 C ATOM 1064 C GLN A 65 4.286 -1.370 -11.785 1.00 44.13 C ATOM 1065 O GLN A 65 5.342 -1.104 -12.345 1.00 42.32 O ATOM 1066 CB GLN A 65 2.202 0.001 -12.220 1.00 73.53 C ATOM 1067 CG GLN A 65 0.776 0.141 -12.787 1.00 61.14 C ATOM 1068 CD GLN A 65 0.699 -0.008 -14.303 1.00 3.33 C ATOM 1069 OE1 GLN A 65 0.495 -1.107 -14.833 1.00 63.31 O ATOM 1070 NE2 GLN A 65 0.849 1.096 -15.013 1.00 33.24 N ATOM 0 H GLN A 65 1.231 -2.263 -11.800 1.00 73.30 H new ATOM 0 HA GLN A 65 3.158 -1.329 -13.632 1.00 30.04 H new ATOM 0 HB2 GLN A 65 2.150 0.093 -11.135 1.00 73.53 H new ATOM 0 HB3 GLN A 65 2.798 0.838 -12.582 1.00 73.53 H new ATOM 0 HG2 GLN A 65 0.136 -0.610 -12.324 1.00 61.14 H new ATOM 0 HG3 GLN A 65 0.378 1.116 -12.506 1.00 61.14 H new ATOM 0 HE21 GLN A 65 1.016 1.986 -14.543 1.00 33.24 H new ATOM 0 HE22 GLN A 65 0.798 1.059 -16.031 1.00 33.24 H new ATOM 1079 N VAL A 66 4.199 -1.764 -10.499 1.00 74.41 N ATOM 1080 CA VAL A 66 5.349 -1.884 -9.573 1.00 72.10 C ATOM 1081 C VAL A 66 6.360 -2.954 -10.056 1.00 52.42 C ATOM 1082 O VAL A 66 7.579 -2.750 -9.962 1.00 72.14 O ATOM 1083 CB VAL A 66 4.822 -2.229 -8.124 1.00 60.53 C ATOM 1084 CG1 VAL A 66 5.962 -2.502 -7.125 1.00 73.30 C ATOM 1085 CG2 VAL A 66 3.891 -1.110 -7.604 1.00 4.33 C ATOM 0 H VAL A 66 3.311 -2.013 -10.064 1.00 74.41 H new ATOM 0 HA VAL A 66 5.876 -0.930 -9.550 1.00 72.10 H new ATOM 0 HB VAL A 66 4.252 -3.154 -8.206 1.00 60.53 H new ATOM 0 HG11 VAL A 66 5.541 -2.733 -6.147 1.00 73.30 H new ATOM 0 HG12 VAL A 66 6.556 -3.347 -7.473 1.00 73.30 H new ATOM 0 HG13 VAL A 66 6.597 -1.619 -7.047 1.00 73.30 H new ATOM 0 HG21 VAL A 66 3.538 -1.365 -6.605 1.00 4.33 H new ATOM 0 HG22 VAL A 66 4.440 -0.169 -7.566 1.00 4.33 H new ATOM 0 HG23 VAL A 66 3.038 -1.006 -8.274 1.00 4.33 H new ATOM 1095 N LEU A 67 5.826 -4.068 -10.609 1.00 43.52 N ATOM 1096 CA LEU A 67 6.634 -5.204 -11.108 1.00 61.11 C ATOM 1097 C LEU A 67 7.459 -4.793 -12.339 1.00 13.50 C ATOM 1098 O LEU A 67 8.534 -5.348 -12.593 1.00 61.04 O ATOM 1099 CB LEU A 67 5.727 -6.429 -11.445 1.00 60.21 C ATOM 1100 CG LEU A 67 4.889 -7.016 -10.264 1.00 4.22 C ATOM 1101 CD1 LEU A 67 4.086 -8.259 -10.692 1.00 41.51 C ATOM 1102 CD2 LEU A 67 5.768 -7.295 -9.030 1.00 30.11 C ATOM 0 H LEU A 67 4.821 -4.204 -10.722 1.00 43.52 H new ATOM 0 HA LEU A 67 7.323 -5.495 -10.315 1.00 61.11 H new ATOM 0 HB2 LEU A 67 5.040 -6.138 -12.240 1.00 60.21 H new ATOM 0 HB3 LEU A 67 6.359 -7.223 -11.844 1.00 60.21 H new ATOM 0 HG LEU A 67 4.163 -6.256 -9.975 1.00 4.22 H new ATOM 0 HD11 LEU A 67 3.518 -8.636 -9.842 1.00 41.51 H new ATOM 0 HD12 LEU A 67 3.401 -7.990 -11.496 1.00 41.51 H new ATOM 0 HD13 LEU A 67 4.771 -9.032 -11.042 1.00 41.51 H new ATOM 0 HD21 LEU A 67 5.151 -7.702 -8.229 1.00 30.11 H new ATOM 0 HD22 LEU A 67 6.545 -8.014 -9.291 1.00 30.11 H new ATOM 0 HD23 LEU A 67 6.231 -6.367 -8.695 1.00 30.11 H new ATOM 1114 N ASP A 68 6.918 -3.827 -13.101 1.00 20.31 N ATOM 1115 CA ASP A 68 7.615 -3.198 -14.232 1.00 22.33 C ATOM 1116 C ASP A 68 8.591 -2.113 -13.732 1.00 63.25 C ATOM 1117 O ASP A 68 9.728 -2.030 -14.205 1.00 15.12 O ATOM 1118 CB ASP A 68 6.582 -2.578 -15.218 1.00 75.21 C ATOM 1119 CG ASP A 68 7.244 -1.859 -16.414 1.00 24.14 C ATOM 1120 OD1 ASP A 68 7.671 -2.547 -17.373 1.00 51.23 O ATOM 1121 OD2 ASP A 68 7.330 -0.603 -16.411 1.00 61.04 O ATOM 0 H ASP A 68 5.979 -3.460 -12.947 1.00 20.31 H new ATOM 0 HA ASP A 68 8.189 -3.963 -14.755 1.00 22.33 H new ATOM 0 HB2 ASP A 68 5.927 -3.365 -15.592 1.00 75.21 H new ATOM 0 HB3 ASP A 68 5.953 -1.870 -14.679 1.00 75.21 H new ATOM 1126 N SER A 69 8.147 -1.317 -12.737 1.00 31.51 N ATOM 1127 CA SER A 69 8.862 -0.102 -12.296 1.00 11.45 C ATOM 1128 C SER A 69 10.062 -0.408 -11.380 1.00 42.01 C ATOM 1129 O SER A 69 10.885 0.487 -11.125 1.00 1.35 O ATOM 1130 CB SER A 69 7.885 0.871 -11.602 1.00 54.42 C ATOM 1131 OG SER A 69 6.851 1.268 -12.489 1.00 30.05 O ATOM 0 H SER A 69 7.287 -1.497 -12.219 1.00 31.51 H new ATOM 0 HA SER A 69 9.268 0.368 -13.192 1.00 11.45 H new ATOM 0 HB2 SER A 69 7.452 0.393 -10.723 1.00 54.42 H new ATOM 0 HB3 SER A 69 8.427 1.750 -11.253 1.00 54.42 H new ATOM 0 HG SER A 69 6.198 0.543 -12.576 1.00 30.05 H new ATOM 1137 N GLY A 70 10.154 -1.660 -10.889 1.00 44.40 N ATOM 1138 CA GLY A 70 11.241 -2.075 -10.002 1.00 50.12 C ATOM 1139 C GLY A 70 11.154 -1.387 -8.648 1.00 43.31 C ATOM 1140 O GLY A 70 12.117 -0.765 -8.188 1.00 35.43 O ATOM 0 H GLY A 70 9.482 -2.399 -11.097 1.00 44.40 H new ATOM 0 HA2 GLY A 70 11.206 -3.156 -9.864 1.00 50.12 H new ATOM 0 HA3 GLY A 70 12.199 -1.844 -10.467 1.00 50.12 H new ATOM 1144 N ALA A 71 9.969 -1.492 -8.030 1.00 1.45 N ATOM 1145 CA ALA A 71 9.632 -0.826 -6.758 1.00 1.51 C ATOM 1146 C ALA A 71 9.154 -1.863 -5.726 1.00 15.13 C ATOM 1147 O ALA A 71 8.957 -3.037 -6.064 1.00 34.43 O ATOM 1148 CB ALA A 71 8.553 0.253 -7.008 1.00 14.25 C ATOM 0 H ALA A 71 9.203 -2.051 -8.404 1.00 1.45 H new ATOM 0 HA ALA A 71 10.520 -0.339 -6.355 1.00 1.51 H new ATOM 0 HB1 ALA A 71 8.305 0.744 -6.067 1.00 14.25 H new ATOM 0 HB2 ALA A 71 8.934 0.991 -7.714 1.00 14.25 H new ATOM 0 HB3 ALA A 71 7.659 -0.215 -7.420 1.00 14.25 H new ATOM 1154 N LYS A 72 8.981 -1.428 -4.468 1.00 64.14 N ATOM 1155 CA LYS A 72 8.415 -2.265 -3.386 1.00 70.45 C ATOM 1156 C LYS A 72 6.913 -1.964 -3.270 1.00 4.23 C ATOM 1157 O LYS A 72 6.484 -0.844 -3.564 1.00 60.20 O ATOM 1158 CB LYS A 72 9.122 -2.016 -2.012 1.00 32.12 C ATOM 1159 CG LYS A 72 10.572 -2.550 -1.887 1.00 75.22 C ATOM 1160 CD LYS A 72 11.595 -1.763 -2.737 1.00 53.04 C ATOM 1161 CE LYS A 72 11.777 -0.313 -2.251 1.00 42.20 C ATOM 1162 NZ LYS A 72 12.728 0.435 -3.114 1.00 43.53 N ATOM 0 H LYS A 72 9.228 -0.485 -4.167 1.00 64.14 H new ATOM 0 HA LYS A 72 8.579 -3.312 -3.639 1.00 70.45 H new ATOM 0 HB2 LYS A 72 9.133 -0.943 -1.821 1.00 32.12 H new ATOM 0 HB3 LYS A 72 8.519 -2.473 -1.227 1.00 32.12 H new ATOM 0 HG2 LYS A 72 10.876 -2.512 -0.841 1.00 75.22 H new ATOM 0 HG3 LYS A 72 10.592 -3.598 -2.187 1.00 75.22 H new ATOM 0 HD2 LYS A 72 12.557 -2.275 -2.708 1.00 53.04 H new ATOM 0 HD3 LYS A 72 11.269 -1.756 -3.777 1.00 53.04 H new ATOM 0 HE2 LYS A 72 10.812 0.194 -2.246 1.00 42.20 H new ATOM 0 HE3 LYS A 72 12.141 -0.315 -1.224 1.00 42.20 H new ATOM 0 HZ1 LYS A 72 13.288 1.087 -2.529 1.00 43.53 H new ATOM 0 HZ2 LYS A 72 13.364 -0.235 -3.591 1.00 43.53 H new ATOM 0 HZ3 LYS A 72 12.198 0.977 -3.826 1.00 43.53 H new ATOM 1176 N VAL A 73 6.125 -2.967 -2.864 1.00 33.31 N ATOM 1177 CA VAL A 73 4.670 -2.821 -2.669 1.00 1.34 C ATOM 1178 C VAL A 73 4.208 -3.634 -1.437 1.00 44.41 C ATOM 1179 O VAL A 73 4.595 -4.793 -1.264 1.00 31.32 O ATOM 1180 CB VAL A 73 3.866 -3.213 -3.973 1.00 33.22 C ATOM 1181 CG1 VAL A 73 4.213 -4.635 -4.477 1.00 30.51 C ATOM 1182 CG2 VAL A 73 2.337 -3.005 -3.786 1.00 14.02 C ATOM 0 H VAL A 73 6.474 -3.904 -2.660 1.00 33.31 H new ATOM 0 HA VAL A 73 4.454 -1.770 -2.476 1.00 1.34 H new ATOM 0 HB VAL A 73 4.185 -2.530 -4.761 1.00 33.22 H new ATOM 0 HG11 VAL A 73 3.634 -4.854 -5.374 1.00 30.51 H new ATOM 0 HG12 VAL A 73 5.277 -4.689 -4.709 1.00 30.51 H new ATOM 0 HG13 VAL A 73 3.973 -5.364 -3.703 1.00 30.51 H new ATOM 0 HG21 VAL A 73 1.817 -3.285 -4.702 1.00 14.02 H new ATOM 0 HG22 VAL A 73 1.983 -3.627 -2.964 1.00 14.02 H new ATOM 0 HG23 VAL A 73 2.137 -1.957 -3.561 1.00 14.02 H new ATOM 1192 N LEU A 74 3.413 -2.982 -0.568 1.00 13.44 N ATOM 1193 CA LEU A 74 2.813 -3.584 0.632 1.00 13.32 C ATOM 1194 C LEU A 74 1.292 -3.481 0.517 1.00 42.41 C ATOM 1195 O LEU A 74 0.751 -2.382 0.443 1.00 52.33 O ATOM 1196 CB LEU A 74 3.303 -2.866 1.918 1.00 4.55 C ATOM 1197 CG LEU A 74 2.667 -3.338 3.273 1.00 13.23 C ATOM 1198 CD1 LEU A 74 2.848 -4.848 3.513 1.00 30.11 C ATOM 1199 CD2 LEU A 74 3.207 -2.515 4.461 1.00 73.35 C ATOM 0 H LEU A 74 3.166 -1.999 -0.686 1.00 13.44 H new ATOM 0 HA LEU A 74 3.115 -4.629 0.702 1.00 13.32 H new ATOM 0 HB2 LEU A 74 4.384 -2.991 1.987 1.00 4.55 H new ATOM 0 HB3 LEU A 74 3.112 -1.799 1.806 1.00 4.55 H new ATOM 0 HG LEU A 74 1.595 -3.158 3.196 1.00 13.23 H new ATOM 0 HD11 LEU A 74 2.390 -5.123 4.463 1.00 30.11 H new ATOM 0 HD12 LEU A 74 2.371 -5.404 2.706 1.00 30.11 H new ATOM 0 HD13 LEU A 74 3.911 -5.087 3.540 1.00 30.11 H new ATOM 0 HD21 LEU A 74 2.748 -2.866 5.385 1.00 73.35 H new ATOM 0 HD22 LEU A 74 4.288 -2.635 4.525 1.00 73.35 H new ATOM 0 HD23 LEU A 74 2.967 -1.462 4.313 1.00 73.35 H new ATOM 1211 N ILE A 75 0.611 -4.628 0.478 1.00 3.50 N ATOM 1212 CA ILE A 75 -0.847 -4.691 0.373 1.00 72.30 C ATOM 1213 C ILE A 75 -1.442 -5.102 1.718 1.00 31.43 C ATOM 1214 O ILE A 75 -1.095 -6.148 2.282 1.00 12.23 O ATOM 1215 CB ILE A 75 -1.303 -5.675 -0.756 1.00 33.15 C ATOM 1216 CG1 ILE A 75 -0.737 -5.213 -2.135 1.00 21.45 C ATOM 1217 CG2 ILE A 75 -2.845 -5.838 -0.797 1.00 11.11 C ATOM 1218 CD1 ILE A 75 -1.095 -3.802 -2.567 1.00 1.23 C ATOM 0 H ILE A 75 1.058 -5.544 0.519 1.00 3.50 H new ATOM 0 HA ILE A 75 -1.213 -3.700 0.105 1.00 72.30 H new ATOM 0 HB ILE A 75 -0.894 -6.660 -0.529 1.00 33.15 H new ATOM 0 HG12 ILE A 75 0.349 -5.297 -2.105 1.00 21.45 H new ATOM 0 HG13 ILE A 75 -1.089 -5.905 -2.900 1.00 21.45 H new ATOM 0 HG21 ILE A 75 -3.117 -6.529 -1.595 1.00 11.11 H new ATOM 0 HG22 ILE A 75 -3.195 -6.230 0.158 1.00 11.11 H new ATOM 0 HG23 ILE A 75 -3.308 -4.869 -0.983 1.00 11.11 H new ATOM 0 HD11 ILE A 75 -0.647 -3.594 -3.538 1.00 1.23 H new ATOM 0 HD12 ILE A 75 -2.178 -3.708 -2.640 1.00 1.23 H new ATOM 0 HD13 ILE A 75 -0.717 -3.090 -1.833 1.00 1.23 H new ATOM 1230 N LEU A 76 -2.326 -4.247 2.216 1.00 11.53 N ATOM 1231 CA LEU A 76 -3.015 -4.405 3.488 1.00 54.13 C ATOM 1232 C LEU A 76 -4.518 -4.511 3.199 1.00 72.41 C ATOM 1233 O LEU A 76 -5.052 -3.739 2.395 1.00 33.14 O ATOM 1234 CB LEU A 76 -2.664 -3.183 4.389 1.00 44.32 C ATOM 1235 CG LEU A 76 -1.124 -2.941 4.581 1.00 62.13 C ATOM 1236 CD1 LEU A 76 -0.817 -1.619 5.298 1.00 2.52 C ATOM 1237 CD2 LEU A 76 -0.470 -4.127 5.306 1.00 34.42 C ATOM 0 H LEU A 76 -2.592 -3.393 1.726 1.00 11.53 H new ATOM 0 HA LEU A 76 -2.708 -5.306 4.018 1.00 54.13 H new ATOM 0 HB2 LEU A 76 -3.109 -2.287 3.956 1.00 44.32 H new ATOM 0 HB3 LEU A 76 -3.122 -3.325 5.368 1.00 44.32 H new ATOM 0 HG LEU A 76 -0.691 -2.862 3.584 1.00 62.13 H new ATOM 0 HD11 LEU A 76 0.262 -1.504 5.403 1.00 2.52 H new ATOM 0 HD12 LEU A 76 -1.215 -0.788 4.716 1.00 2.52 H new ATOM 0 HD13 LEU A 76 -1.279 -1.625 6.285 1.00 2.52 H new ATOM 0 HD21 LEU A 76 0.596 -3.936 5.427 1.00 34.42 H new ATOM 0 HD22 LEU A 76 -0.930 -4.253 6.286 1.00 34.42 H new ATOM 0 HD23 LEU A 76 -0.612 -5.035 4.720 1.00 34.42 H new ATOM 1249 N SER A 77 -5.184 -5.494 3.813 1.00 11.50 N ATOM 1250 CA SER A 77 -6.626 -5.728 3.640 1.00 32.05 C ATOM 1251 C SER A 77 -7.159 -6.494 4.854 1.00 72.11 C ATOM 1252 O SER A 77 -6.431 -7.272 5.482 1.00 44.20 O ATOM 1253 CB SER A 77 -6.926 -6.502 2.323 1.00 63.50 C ATOM 1254 OG SER A 77 -8.319 -6.707 2.138 1.00 65.44 O ATOM 0 H SER A 77 -4.737 -6.155 4.448 1.00 11.50 H new ATOM 0 HA SER A 77 -7.131 -4.765 3.566 1.00 32.05 H new ATOM 0 HB2 SER A 77 -6.525 -5.947 1.475 1.00 63.50 H new ATOM 0 HB3 SER A 77 -6.416 -7.465 2.343 1.00 63.50 H new ATOM 0 HG SER A 77 -8.812 -5.934 2.485 1.00 65.44 H new ATOM 1260 N SER A 78 -8.443 -6.280 5.153 1.00 42.30 N ATOM 1261 CA SER A 78 -9.125 -6.847 6.325 1.00 22.30 C ATOM 1262 C SER A 78 -9.876 -8.144 5.969 1.00 10.10 C ATOM 1263 O SER A 78 -10.633 -8.669 6.791 1.00 5.22 O ATOM 1264 CB SER A 78 -10.086 -5.773 6.887 1.00 72.14 C ATOM 1265 OG SER A 78 -10.913 -5.228 5.872 1.00 33.41 O ATOM 0 H SER A 78 -9.051 -5.697 4.578 1.00 42.30 H new ATOM 0 HA SER A 78 -8.390 -7.118 7.083 1.00 22.30 H new ATOM 0 HB2 SER A 78 -10.708 -6.213 7.666 1.00 72.14 H new ATOM 0 HB3 SER A 78 -9.508 -4.975 7.353 1.00 72.14 H new ATOM 0 HG SER A 78 -11.508 -4.554 6.262 1.00 33.41 H new ATOM 1271 N ASP A 79 -9.642 -8.668 4.743 1.00 12.12 N ATOM 1272 CA ASP A 79 -10.289 -9.911 4.264 1.00 75.44 C ATOM 1273 C ASP A 79 -9.228 -10.993 3.956 1.00 54.44 C ATOM 1274 O ASP A 79 -8.257 -10.738 3.221 1.00 24.21 O ATOM 1275 CB ASP A 79 -11.163 -9.621 3.017 1.00 55.54 C ATOM 1276 CG ASP A 79 -11.980 -10.845 2.546 1.00 62.51 C ATOM 1277 OD1 ASP A 79 -11.464 -11.658 1.746 1.00 63.54 O ATOM 1278 OD2 ASP A 79 -13.142 -11.002 2.979 1.00 72.54 O ATOM 0 H ASP A 79 -9.007 -8.246 4.065 1.00 12.12 H new ATOM 0 HA ASP A 79 -10.938 -10.290 5.053 1.00 75.44 H new ATOM 0 HB2 ASP A 79 -11.846 -8.802 3.243 1.00 55.54 H new ATOM 0 HB3 ASP A 79 -10.521 -9.286 2.202 1.00 55.54 H new ATOM 1283 N GLU A 80 -9.448 -12.195 4.538 1.00 24.51 N ATOM 1284 CA GLU A 80 -8.562 -13.374 4.407 1.00 51.21 C ATOM 1285 C GLU A 80 -8.305 -13.751 2.931 1.00 61.12 C ATOM 1286 O GLU A 80 -7.150 -13.917 2.517 1.00 24.31 O ATOM 1287 CB GLU A 80 -9.176 -14.625 5.127 1.00 72.43 C ATOM 1288 CG GLU A 80 -9.884 -14.376 6.478 1.00 13.13 C ATOM 1289 CD GLU A 80 -9.010 -13.687 7.529 1.00 31.21 C ATOM 1290 OE1 GLU A 80 -9.376 -12.591 8.012 1.00 1.50 O ATOM 1291 OE2 GLU A 80 -7.959 -14.246 7.893 1.00 2.44 O ATOM 0 H GLU A 80 -10.263 -12.375 5.124 1.00 24.51 H new ATOM 0 HA GLU A 80 -7.618 -13.093 4.874 1.00 51.21 H new ATOM 0 HB2 GLU A 80 -9.892 -15.089 4.449 1.00 72.43 H new ATOM 0 HB3 GLU A 80 -8.377 -15.348 5.291 1.00 72.43 H new ATOM 0 HG2 GLU A 80 -10.771 -13.767 6.303 1.00 13.13 H new ATOM 0 HG3 GLU A 80 -10.227 -15.331 6.877 1.00 13.13 H new ATOM 1298 N ASN A 81 -9.411 -13.886 2.158 1.00 34.33 N ATOM 1299 CA ASN A 81 -9.386 -14.418 0.774 1.00 72.31 C ATOM 1300 C ASN A 81 -8.549 -13.504 -0.129 1.00 5.05 C ATOM 1301 O ASN A 81 -7.811 -13.979 -0.990 1.00 52.43 O ATOM 1302 CB ASN A 81 -10.827 -14.539 0.191 1.00 24.42 C ATOM 1303 CG ASN A 81 -11.797 -15.313 1.091 1.00 44.44 C ATOM 1304 OD1 ASN A 81 -11.918 -16.538 1.002 1.00 11.12 O ATOM 1305 ND2 ASN A 81 -12.506 -14.599 1.957 1.00 63.52 N ATOM 0 H ASN A 81 -10.345 -13.629 2.477 1.00 34.33 H new ATOM 0 HA ASN A 81 -8.938 -15.411 0.807 1.00 72.31 H new ATOM 0 HB2 ASN A 81 -11.225 -13.539 0.020 1.00 24.42 H new ATOM 0 HB3 ASN A 81 -10.776 -15.032 -0.780 1.00 24.42 H new ATOM 0 HD21 ASN A 81 -13.174 -15.062 2.573 1.00 63.52 H new ATOM 0 HD22 ASN A 81 -12.383 -13.588 2.006 1.00 63.52 H new ATOM 1312 N ILE A 82 -8.664 -12.185 0.125 1.00 42.51 N ATOM 1313 CA ILE A 82 -7.986 -11.143 -0.652 1.00 62.31 C ATOM 1314 C ILE A 82 -6.474 -11.206 -0.420 1.00 62.52 C ATOM 1315 O ILE A 82 -5.738 -11.390 -1.389 1.00 71.25 O ATOM 1316 CB ILE A 82 -8.568 -9.719 -0.316 1.00 12.44 C ATOM 1317 CG1 ILE A 82 -10.087 -9.693 -0.673 1.00 21.10 C ATOM 1318 CG2 ILE A 82 -7.790 -8.582 -1.037 1.00 0.41 C ATOM 1319 CD1 ILE A 82 -10.809 -8.404 -0.366 1.00 2.04 C ATOM 0 H ILE A 82 -9.237 -11.816 0.884 1.00 42.51 H new ATOM 0 HA ILE A 82 -8.170 -11.323 -1.711 1.00 62.31 H new ATOM 0 HB ILE A 82 -8.446 -9.535 0.751 1.00 12.44 H new ATOM 0 HG12 ILE A 82 -10.195 -9.904 -1.737 1.00 21.10 H new ATOM 0 HG13 ILE A 82 -10.582 -10.502 -0.136 1.00 21.10 H new ATOM 0 HG21 ILE A 82 -8.228 -7.619 -0.775 1.00 0.41 H new ATOM 0 HG22 ILE A 82 -6.745 -8.603 -0.727 1.00 0.41 H new ATOM 0 HG23 ILE A 82 -7.851 -8.727 -2.116 1.00 0.41 H new ATOM 0 HD11 ILE A 82 -11.856 -8.496 -0.653 1.00 2.04 H new ATOM 0 HD12 ILE A 82 -10.743 -8.195 0.702 1.00 2.04 H new ATOM 0 HD13 ILE A 82 -10.350 -7.588 -0.924 1.00 2.04 H new ATOM 1331 N ILE A 83 -6.032 -11.124 0.868 1.00 44.02 N ATOM 1332 CA ILE A 83 -4.593 -11.195 1.231 1.00 50.44 C ATOM 1333 C ILE A 83 -3.936 -12.432 0.590 1.00 45.50 C ATOM 1334 O ILE A 83 -2.920 -12.304 -0.104 1.00 35.00 O ATOM 1335 CB ILE A 83 -4.387 -11.186 2.806 1.00 60.53 C ATOM 1336 CG1 ILE A 83 -4.835 -9.810 3.407 1.00 1.11 C ATOM 1337 CG2 ILE A 83 -2.921 -11.515 3.217 1.00 64.13 C ATOM 1338 CD1 ILE A 83 -3.961 -8.618 3.015 1.00 21.41 C ATOM 0 H ILE A 83 -6.654 -11.009 1.668 1.00 44.02 H new ATOM 0 HA ILE A 83 -4.103 -10.304 0.838 1.00 50.44 H new ATOM 0 HB ILE A 83 -5.015 -11.976 3.217 1.00 60.53 H new ATOM 0 HG12 ILE A 83 -5.859 -9.609 3.092 1.00 1.11 H new ATOM 0 HG13 ILE A 83 -4.846 -9.892 4.494 1.00 1.11 H new ATOM 0 HG21 ILE A 83 -2.835 -11.496 4.303 1.00 64.13 H new ATOM 0 HG22 ILE A 83 -2.654 -12.506 2.849 1.00 64.13 H new ATOM 0 HG23 ILE A 83 -2.247 -10.774 2.786 1.00 64.13 H new ATOM 0 HD11 ILE A 83 -4.351 -7.712 3.479 1.00 21.41 H new ATOM 0 HD12 ILE A 83 -2.939 -8.789 3.354 1.00 21.41 H new ATOM 0 HD13 ILE A 83 -3.969 -8.502 1.931 1.00 21.41 H new ATOM 1350 N GLU A 84 -4.599 -13.595 0.758 1.00 3.04 N ATOM 1351 CA GLU A 84 -4.138 -14.889 0.228 1.00 23.55 C ATOM 1352 C GLU A 84 -3.960 -14.844 -1.307 1.00 62.24 C ATOM 1353 O GLU A 84 -2.909 -15.259 -1.819 1.00 74.11 O ATOM 1354 CB GLU A 84 -5.139 -16.005 0.612 1.00 14.10 C ATOM 1355 CG GLU A 84 -4.753 -17.426 0.130 1.00 3.01 C ATOM 1356 CD GLU A 84 -3.440 -17.955 0.737 1.00 5.13 C ATOM 1357 OE1 GLU A 84 -2.355 -17.725 0.151 1.00 73.20 O ATOM 1358 OE2 GLU A 84 -3.479 -18.597 1.809 1.00 35.43 O ATOM 0 H GLU A 84 -5.478 -13.660 1.271 1.00 3.04 H new ATOM 0 HA GLU A 84 -3.166 -15.104 0.671 1.00 23.55 H new ATOM 0 HB2 GLU A 84 -5.243 -16.022 1.697 1.00 14.10 H new ATOM 0 HB3 GLU A 84 -6.117 -15.752 0.202 1.00 14.10 H new ATOM 0 HG2 GLU A 84 -5.560 -18.115 0.378 1.00 3.01 H new ATOM 0 HG3 GLU A 84 -4.663 -17.419 -0.956 1.00 3.01 H new ATOM 1365 N SER A 85 -4.994 -14.323 -2.016 1.00 75.42 N ATOM 1366 CA SER A 85 -4.990 -14.199 -3.489 1.00 54.32 C ATOM 1367 C SER A 85 -3.775 -13.395 -3.968 1.00 41.05 C ATOM 1368 O SER A 85 -3.067 -13.818 -4.876 1.00 43.54 O ATOM 1369 CB SER A 85 -6.297 -13.539 -3.992 1.00 75.31 C ATOM 1370 OG SER A 85 -7.425 -14.372 -3.768 1.00 60.44 O ATOM 0 H SER A 85 -5.850 -13.979 -1.580 1.00 75.42 H new ATOM 0 HA SER A 85 -4.927 -15.204 -3.906 1.00 54.32 H new ATOM 0 HB2 SER A 85 -6.442 -12.585 -3.484 1.00 75.31 H new ATOM 0 HB3 SER A 85 -6.209 -13.323 -5.057 1.00 75.31 H new ATOM 0 HG SER A 85 -7.676 -14.335 -2.822 1.00 60.44 H new ATOM 1376 N ILE A 86 -3.522 -12.270 -3.285 1.00 25.40 N ATOM 1377 CA ILE A 86 -2.457 -11.323 -3.645 1.00 4.13 C ATOM 1378 C ILE A 86 -1.055 -11.956 -3.451 1.00 74.53 C ATOM 1379 O ILE A 86 -0.142 -11.700 -4.247 1.00 33.44 O ATOM 1380 CB ILE A 86 -2.610 -9.974 -2.834 1.00 14.23 C ATOM 1381 CG1 ILE A 86 -4.042 -9.353 -3.035 1.00 61.41 C ATOM 1382 CG2 ILE A 86 -1.511 -8.953 -3.195 1.00 71.24 C ATOM 1383 CD1 ILE A 86 -4.541 -9.263 -4.480 1.00 0.34 C ATOM 0 H ILE A 86 -4.054 -11.989 -2.461 1.00 25.40 H new ATOM 0 HA ILE A 86 -2.556 -11.084 -4.704 1.00 4.13 H new ATOM 0 HB ILE A 86 -2.488 -10.219 -1.779 1.00 14.23 H new ATOM 0 HG12 ILE A 86 -4.756 -9.945 -2.462 1.00 61.41 H new ATOM 0 HG13 ILE A 86 -4.044 -8.350 -2.608 1.00 61.41 H new ATOM 0 HG21 ILE A 86 -1.656 -8.042 -2.614 1.00 71.24 H new ATOM 0 HG22 ILE A 86 -0.532 -9.376 -2.968 1.00 71.24 H new ATOM 0 HG23 ILE A 86 -1.567 -8.718 -4.258 1.00 71.24 H new ATOM 0 HD11 ILE A 86 -5.537 -8.820 -4.494 1.00 0.34 H new ATOM 0 HD12 ILE A 86 -3.859 -8.643 -5.062 1.00 0.34 H new ATOM 0 HD13 ILE A 86 -4.583 -10.262 -4.913 1.00 0.34 H new ATOM 1395 N ARG A 87 -0.909 -12.827 -2.423 1.00 3.24 N ATOM 1396 CA ARG A 87 0.361 -13.547 -2.168 1.00 5.41 C ATOM 1397 C ARG A 87 0.658 -14.550 -3.301 1.00 33.53 C ATOM 1398 O ARG A 87 1.703 -14.478 -3.952 1.00 70.34 O ATOM 1399 CB ARG A 87 0.330 -14.321 -0.815 1.00 1.33 C ATOM 1400 CG ARG A 87 -0.028 -13.472 0.416 1.00 43.12 C ATOM 1401 CD ARG A 87 0.206 -14.204 1.752 1.00 13.12 C ATOM 1402 NE ARG A 87 -0.452 -15.522 1.827 1.00 4.21 N ATOM 1403 CZ ARG A 87 -0.336 -16.377 2.866 1.00 31.52 C ATOM 1404 NH1 ARG A 87 0.412 -16.074 3.932 1.00 15.45 N ATOM 1405 NH2 ARG A 87 -0.922 -17.560 2.804 1.00 0.44 N ATOM 0 H ARG A 87 -1.652 -13.047 -1.760 1.00 3.24 H new ATOM 0 HA ARG A 87 1.144 -12.790 -2.123 1.00 5.41 H new ATOM 0 HB2 ARG A 87 -0.390 -15.135 -0.897 1.00 1.33 H new ATOM 0 HB3 ARG A 87 1.307 -14.775 -0.652 1.00 1.33 H new ATOM 0 HG2 ARG A 87 0.565 -12.557 0.402 1.00 43.12 H new ATOM 0 HG3 ARG A 87 -1.075 -13.175 0.351 1.00 43.12 H new ATOM 0 HD2 ARG A 87 1.278 -14.333 1.903 1.00 13.12 H new ATOM 0 HD3 ARG A 87 -0.158 -13.579 2.568 1.00 13.12 H new ATOM 0 HE ARG A 87 -1.035 -15.807 1.040 1.00 4.21 H new ATOM 0 HH11 ARG A 87 0.908 -15.183 3.971 1.00 15.45 H new ATOM 0 HH12 ARG A 87 0.487 -16.733 4.707 1.00 15.45 H new ATOM 0 HH21 ARG A 87 -1.457 -17.821 1.976 1.00 0.44 H new ATOM 0 HH22 ARG A 87 -0.839 -18.212 3.584 1.00 0.44 H new ATOM 1419 N LYS A 88 -0.301 -15.458 -3.554 1.00 1.45 N ATOM 1420 CA LYS A 88 -0.086 -16.615 -4.453 1.00 4.34 C ATOM 1421 C LYS A 88 -0.021 -16.196 -5.936 1.00 52.03 C ATOM 1422 O LYS A 88 0.571 -16.906 -6.755 1.00 73.35 O ATOM 1423 CB LYS A 88 -1.168 -17.706 -4.212 1.00 43.21 C ATOM 1424 CG LYS A 88 -2.629 -17.259 -4.447 1.00 41.11 C ATOM 1425 CD LYS A 88 -3.658 -18.352 -4.052 1.00 34.23 C ATOM 1426 CE LYS A 88 -5.114 -17.886 -4.206 1.00 13.34 C ATOM 1427 NZ LYS A 88 -6.074 -18.954 -3.830 1.00 64.25 N ATOM 0 H LYS A 88 -1.236 -15.416 -3.149 1.00 1.45 H new ATOM 0 HA LYS A 88 0.887 -17.043 -4.210 1.00 4.34 H new ATOM 0 HB2 LYS A 88 -0.956 -18.553 -4.865 1.00 43.21 H new ATOM 0 HB3 LYS A 88 -1.076 -18.063 -3.186 1.00 43.21 H new ATOM 0 HG2 LYS A 88 -2.826 -16.355 -3.871 1.00 41.11 H new ATOM 0 HG3 LYS A 88 -2.762 -17.003 -5.498 1.00 41.11 H new ATOM 0 HD2 LYS A 88 -3.497 -19.235 -4.670 1.00 34.23 H new ATOM 0 HD3 LYS A 88 -3.485 -18.650 -3.018 1.00 34.23 H new ATOM 0 HE2 LYS A 88 -5.283 -17.008 -3.582 1.00 13.34 H new ATOM 0 HE3 LYS A 88 -5.292 -17.583 -5.238 1.00 13.34 H new ATOM 0 HZ1 LYS A 88 -7.046 -18.604 -3.946 1.00 64.25 H new ATOM 0 HZ2 LYS A 88 -5.929 -19.782 -4.442 1.00 64.25 H new ATOM 0 HZ3 LYS A 88 -5.920 -19.225 -2.838 1.00 64.25 H new ATOM 1441 N GLN A 89 -0.637 -15.046 -6.279 1.00 32.33 N ATOM 1442 CA GLN A 89 -0.538 -14.448 -7.630 1.00 21.44 C ATOM 1443 C GLN A 89 0.778 -13.671 -7.797 1.00 53.31 C ATOM 1444 O GLN A 89 1.427 -13.767 -8.844 1.00 44.44 O ATOM 1445 CB GLN A 89 -1.751 -13.507 -7.895 1.00 71.50 C ATOM 1446 CG GLN A 89 -3.116 -14.232 -7.958 1.00 71.32 C ATOM 1447 CD GLN A 89 -4.326 -13.292 -7.938 1.00 4.25 C ATOM 1448 OE1 GLN A 89 -4.265 -12.153 -8.400 1.00 25.53 O ATOM 1449 NE2 GLN A 89 -5.442 -13.772 -7.410 1.00 32.05 N ATOM 0 H GLN A 89 -1.214 -14.507 -5.633 1.00 32.33 H new ATOM 0 HA GLN A 89 -0.550 -15.259 -8.358 1.00 21.44 H new ATOM 0 HB2 GLN A 89 -1.789 -12.753 -7.109 1.00 71.50 H new ATOM 0 HB3 GLN A 89 -1.589 -12.980 -8.835 1.00 71.50 H new ATOM 0 HG2 GLN A 89 -3.153 -14.835 -8.865 1.00 71.32 H new ATOM 0 HG3 GLN A 89 -3.189 -14.919 -7.115 1.00 71.32 H new ATOM 0 HE21 GLN A 89 -5.462 -14.720 -7.035 1.00 32.05 H new ATOM 0 HE22 GLN A 89 -6.281 -13.193 -7.379 1.00 32.05 H new ATOM 1458 N TYR A 90 1.168 -12.907 -6.756 1.00 25.33 N ATOM 1459 CA TYR A 90 2.331 -11.993 -6.816 1.00 31.13 C ATOM 1460 C TYR A 90 3.380 -12.376 -5.741 1.00 40.51 C ATOM 1461 O TYR A 90 3.129 -12.192 -4.551 1.00 73.43 O ATOM 1462 CB TYR A 90 1.850 -10.527 -6.629 1.00 42.11 C ATOM 1463 CG TYR A 90 0.744 -10.098 -7.610 1.00 41.15 C ATOM 1464 CD1 TYR A 90 1.044 -9.759 -8.933 1.00 61.12 C ATOM 1465 CD2 TYR A 90 -0.601 -10.031 -7.214 1.00 64.33 C ATOM 1466 CE1 TYR A 90 0.056 -9.376 -9.818 1.00 12.45 C ATOM 1467 CE2 TYR A 90 -1.594 -9.648 -8.101 1.00 3.53 C ATOM 1468 CZ TYR A 90 -1.258 -9.322 -9.401 1.00 62.32 C ATOM 1469 OH TYR A 90 -2.237 -8.940 -10.293 1.00 24.54 O ATOM 0 H TYR A 90 0.690 -12.905 -5.855 1.00 25.33 H new ATOM 0 HA TYR A 90 2.809 -12.083 -7.792 1.00 31.13 H new ATOM 0 HB2 TYR A 90 1.485 -10.403 -5.610 1.00 42.11 H new ATOM 0 HB3 TYR A 90 2.703 -9.859 -6.745 1.00 42.11 H new ATOM 0 HD1 TYR A 90 2.070 -9.798 -9.269 1.00 61.12 H new ATOM 0 HD2 TYR A 90 -0.867 -10.283 -6.198 1.00 64.33 H new ATOM 0 HE1 TYR A 90 0.311 -9.119 -10.835 1.00 12.45 H new ATOM 0 HE2 TYR A 90 -2.624 -9.605 -7.778 1.00 3.53 H new ATOM 0 HH TYR A 90 -2.969 -9.591 -10.274 1.00 24.54 H new ATOM 1479 N PRO A 91 4.558 -12.954 -6.136 1.00 5.42 N ATOM 1480 CA PRO A 91 5.639 -13.304 -5.177 1.00 14.13 C ATOM 1481 C PRO A 91 6.408 -12.072 -4.645 1.00 52.31 C ATOM 1482 O PRO A 91 6.932 -12.099 -3.529 1.00 34.34 O ATOM 1483 CB PRO A 91 6.554 -14.229 -6.021 1.00 32.23 C ATOM 1484 CG PRO A 91 6.363 -13.761 -7.435 1.00 64.45 C ATOM 1485 CD PRO A 91 4.905 -13.363 -7.531 1.00 10.15 C ATOM 0 HA PRO A 91 5.253 -13.771 -4.271 1.00 14.13 H new ATOM 0 HB2 PRO A 91 7.596 -14.145 -5.713 1.00 32.23 H new ATOM 0 HB3 PRO A 91 6.272 -15.276 -5.908 1.00 32.23 H new ATOM 0 HG2 PRO A 91 7.016 -12.919 -7.662 1.00 64.45 H new ATOM 0 HG3 PRO A 91 6.603 -14.551 -8.147 1.00 64.45 H new ATOM 0 HD2 PRO A 91 4.759 -12.545 -8.236 1.00 10.15 H new ATOM 0 HD3 PRO A 91 4.285 -14.192 -7.871 1.00 10.15 H new ATOM 1493 N LYS A 92 6.481 -11.001 -5.461 1.00 74.15 N ATOM 1494 CA LYS A 92 7.272 -9.790 -5.130 1.00 14.40 C ATOM 1495 C LYS A 92 6.567 -8.862 -4.125 1.00 61.05 C ATOM 1496 O LYS A 92 7.208 -7.967 -3.561 1.00 43.14 O ATOM 1497 CB LYS A 92 7.605 -8.998 -6.424 1.00 33.44 C ATOM 1498 CG LYS A 92 8.256 -9.829 -7.553 1.00 65.14 C ATOM 1499 CD LYS A 92 9.518 -10.603 -7.104 1.00 32.22 C ATOM 1500 CE LYS A 92 10.209 -11.323 -8.270 1.00 44.30 C ATOM 1501 NZ LYS A 92 11.319 -12.196 -7.802 1.00 53.45 N ATOM 0 H LYS A 92 6.000 -10.947 -6.359 1.00 74.15 H new ATOM 0 HA LYS A 92 8.188 -10.140 -4.655 1.00 14.40 H new ATOM 0 HB2 LYS A 92 6.686 -8.553 -6.805 1.00 33.44 H new ATOM 0 HB3 LYS A 92 8.274 -8.177 -6.167 1.00 33.44 H new ATOM 0 HG2 LYS A 92 7.524 -10.538 -7.939 1.00 65.14 H new ATOM 0 HG3 LYS A 92 8.521 -9.164 -8.375 1.00 65.14 H new ATOM 0 HD2 LYS A 92 10.220 -9.910 -6.641 1.00 32.22 H new ATOM 0 HD3 LYS A 92 9.242 -11.333 -6.343 1.00 32.22 H new ATOM 0 HE2 LYS A 92 9.478 -11.924 -8.811 1.00 44.30 H new ATOM 0 HE3 LYS A 92 10.598 -10.586 -8.973 1.00 44.30 H new ATOM 0 HZ1 LYS A 92 11.760 -12.665 -8.619 1.00 53.45 H new ATOM 0 HZ2 LYS A 92 12.030 -11.619 -7.308 1.00 53.45 H new ATOM 0 HZ3 LYS A 92 10.944 -12.915 -7.151 1.00 53.45 H new ATOM 1515 N VAL A 93 5.255 -9.058 -3.914 1.00 62.11 N ATOM 1516 CA VAL A 93 4.474 -8.202 -3.013 1.00 53.24 C ATOM 1517 C VAL A 93 4.665 -8.635 -1.549 1.00 11.10 C ATOM 1518 O VAL A 93 4.709 -9.828 -1.248 1.00 30.30 O ATOM 1519 CB VAL A 93 2.936 -8.202 -3.379 1.00 63.24 C ATOM 1520 CG1 VAL A 93 2.255 -9.572 -3.141 1.00 10.01 C ATOM 1521 CG2 VAL A 93 2.188 -7.086 -2.625 1.00 3.31 C ATOM 0 H VAL A 93 4.715 -9.802 -4.356 1.00 62.11 H new ATOM 0 HA VAL A 93 4.846 -7.185 -3.138 1.00 53.24 H new ATOM 0 HB VAL A 93 2.878 -8.006 -4.450 1.00 63.24 H new ATOM 0 HG11 VAL A 93 1.201 -9.506 -3.411 1.00 10.01 H new ATOM 0 HG12 VAL A 93 2.740 -10.331 -3.755 1.00 10.01 H new ATOM 0 HG13 VAL A 93 2.344 -9.845 -2.089 1.00 10.01 H new ATOM 0 HG21 VAL A 93 1.132 -7.109 -2.895 1.00 3.31 H new ATOM 0 HG22 VAL A 93 2.291 -7.240 -1.551 1.00 3.31 H new ATOM 0 HG23 VAL A 93 2.611 -6.118 -2.895 1.00 3.31 H new ATOM 1531 N GLU A 94 4.834 -7.660 -0.657 1.00 52.21 N ATOM 1532 CA GLU A 94 4.666 -7.864 0.783 1.00 63.11 C ATOM 1533 C GLU A 94 3.189 -7.680 1.105 1.00 25.50 C ATOM 1534 O GLU A 94 2.598 -6.699 0.676 1.00 63.01 O ATOM 1535 CB GLU A 94 5.506 -6.839 1.581 1.00 34.40 C ATOM 1536 CG GLU A 94 7.017 -6.944 1.346 1.00 43.13 C ATOM 1537 CD GLU A 94 7.585 -8.337 1.671 1.00 22.53 C ATOM 1538 OE1 GLU A 94 8.157 -8.990 0.767 1.00 52.12 O ATOM 1539 OE2 GLU A 94 7.484 -8.777 2.840 1.00 4.15 O ATOM 0 H GLU A 94 5.091 -6.706 -0.911 1.00 52.21 H new ATOM 0 HA GLU A 94 5.004 -8.863 1.060 1.00 63.11 H new ATOM 0 HB2 GLU A 94 5.178 -5.834 1.317 1.00 34.40 H new ATOM 0 HB3 GLU A 94 5.305 -6.971 2.644 1.00 34.40 H new ATOM 0 HG2 GLU A 94 7.234 -6.704 0.305 1.00 43.13 H new ATOM 0 HG3 GLU A 94 7.526 -6.199 1.958 1.00 43.13 H new ATOM 1546 N THR A 95 2.574 -8.621 1.814 1.00 42.13 N ATOM 1547 CA THR A 95 1.196 -8.459 2.302 1.00 62.31 C ATOM 1548 C THR A 95 1.186 -8.617 3.819 1.00 11.42 C ATOM 1549 O THR A 95 2.074 -9.257 4.394 1.00 24.50 O ATOM 1550 CB THR A 95 0.190 -9.483 1.667 1.00 62.13 C ATOM 1551 OG1 THR A 95 0.552 -10.813 2.041 1.00 14.52 O ATOM 1552 CG2 THR A 95 0.128 -9.386 0.129 1.00 3.43 C ATOM 0 H THR A 95 3.005 -9.510 2.068 1.00 42.13 H new ATOM 0 HA THR A 95 0.864 -7.464 2.005 1.00 62.31 H new ATOM 0 HB THR A 95 -0.799 -9.233 2.050 1.00 62.13 H new ATOM 0 HG1 THR A 95 -0.114 -11.170 2.666 1.00 14.52 H new ATOM 0 HG21 THR A 95 -0.584 -10.118 -0.253 1.00 3.43 H new ATOM 0 HG22 THR A 95 -0.191 -8.384 -0.160 1.00 3.43 H new ATOM 0 HG23 THR A 95 1.115 -9.587 -0.288 1.00 3.43 H new ATOM 1560 N ARG A 96 0.200 -8.000 4.454 1.00 21.01 N ATOM 1561 CA ARG A 96 -0.107 -8.196 5.868 1.00 24.40 C ATOM 1562 C ARG A 96 -1.599 -7.946 6.047 1.00 75.44 C ATOM 1563 O ARG A 96 -2.110 -6.890 5.644 1.00 40.10 O ATOM 1564 CB ARG A 96 0.750 -7.259 6.774 1.00 1.33 C ATOM 1565 CG ARG A 96 0.342 -7.241 8.270 1.00 41.43 C ATOM 1566 CD ARG A 96 1.266 -6.360 9.126 1.00 3.33 C ATOM 1567 NE ARG A 96 0.749 -6.144 10.489 1.00 44.43 N ATOM 1568 CZ ARG A 96 1.306 -5.319 11.397 1.00 71.31 C ATOM 1569 NH1 ARG A 96 2.411 -4.638 11.114 1.00 75.33 N ATOM 1570 NH2 ARG A 96 0.768 -5.190 12.597 1.00 50.14 N ATOM 0 H ARG A 96 -0.423 -7.336 3.994 1.00 21.01 H new ATOM 0 HA ARG A 96 0.141 -9.212 6.173 1.00 24.40 H new ATOM 0 HB2 ARG A 96 1.794 -7.564 6.701 1.00 1.33 H new ATOM 0 HB3 ARG A 96 0.687 -6.243 6.383 1.00 1.33 H new ATOM 0 HG2 ARG A 96 -0.682 -6.880 8.359 1.00 41.43 H new ATOM 0 HG3 ARG A 96 0.355 -8.259 8.658 1.00 41.43 H new ATOM 0 HD2 ARG A 96 2.250 -6.824 9.185 1.00 3.33 H new ATOM 0 HD3 ARG A 96 1.398 -5.396 8.635 1.00 3.33 H new ATOM 0 HE ARG A 96 -0.090 -6.655 10.764 1.00 44.43 H new ATOM 0 HH11 ARG A 96 2.850 -4.736 10.198 1.00 75.33 H new ATOM 0 HH12 ARG A 96 2.820 -4.017 11.812 1.00 75.33 H new ATOM 0 HH21 ARG A 96 -0.072 -5.716 12.839 1.00 50.14 H new ATOM 0 HH22 ARG A 96 1.193 -4.564 13.282 1.00 50.14 H new ATOM 1584 N ARG A 97 -2.308 -8.948 6.578 1.00 72.44 N ATOM 1585 CA ARG A 97 -3.712 -8.809 6.929 1.00 0.42 C ATOM 1586 C ARG A 97 -3.831 -7.800 8.083 1.00 45.01 C ATOM 1587 O ARG A 97 -3.175 -7.956 9.124 1.00 23.34 O ATOM 1588 CB ARG A 97 -4.322 -10.172 7.331 1.00 43.21 C ATOM 1589 CG ARG A 97 -5.832 -10.103 7.653 1.00 20.31 C ATOM 1590 CD ARG A 97 -6.349 -11.378 8.312 1.00 40.43 C ATOM 1591 NE ARG A 97 -5.652 -11.670 9.576 1.00 71.23 N ATOM 1592 CZ ARG A 97 -6.105 -12.468 10.555 1.00 3.25 C ATOM 1593 NH1 ARG A 97 -7.289 -13.082 10.456 1.00 42.20 N ATOM 1594 NH2 ARG A 97 -5.356 -12.646 11.632 1.00 21.24 N ATOM 0 H ARG A 97 -1.920 -9.871 6.773 1.00 72.44 H new ATOM 0 HA ARG A 97 -4.268 -8.448 6.064 1.00 0.42 H new ATOM 0 HB2 ARG A 97 -4.164 -10.884 6.521 1.00 43.21 H new ATOM 0 HB3 ARG A 97 -3.790 -10.556 8.202 1.00 43.21 H new ATOM 0 HG2 ARG A 97 -6.021 -9.255 8.312 1.00 20.31 H new ATOM 0 HG3 ARG A 97 -6.388 -9.922 6.733 1.00 20.31 H new ATOM 0 HD2 ARG A 97 -7.418 -11.280 8.502 1.00 40.43 H new ATOM 0 HD3 ARG A 97 -6.223 -12.216 7.627 1.00 40.43 H new ATOM 0 HE ARG A 97 -4.745 -11.226 9.720 1.00 71.23 H new ATOM 0 HH11 ARG A 97 -7.865 -12.948 9.625 1.00 42.20 H new ATOM 0 HH12 ARG A 97 -7.616 -13.685 11.211 1.00 42.20 H new ATOM 0 HH21 ARG A 97 -4.452 -12.180 11.707 1.00 21.24 H new ATOM 0 HH22 ARG A 97 -5.683 -13.249 12.387 1.00 21.24 H new ATOM 1608 N ALA A 98 -4.649 -6.768 7.881 1.00 53.31 N ATOM 1609 CA ALA A 98 -4.835 -5.692 8.846 1.00 51.34 C ATOM 1610 C ALA A 98 -6.318 -5.298 8.856 1.00 24.13 C ATOM 1611 O ALA A 98 -6.820 -4.662 7.918 1.00 20.30 O ATOM 1612 CB ALA A 98 -3.921 -4.510 8.484 1.00 15.43 C ATOM 0 H ALA A 98 -5.206 -6.657 7.033 1.00 53.31 H new ATOM 0 HA ALA A 98 -4.560 -6.016 9.850 1.00 51.34 H new ATOM 0 HB1 ALA A 98 -4.062 -3.706 9.207 1.00 15.43 H new ATOM 0 HB2 ALA A 98 -2.881 -4.836 8.501 1.00 15.43 H new ATOM 0 HB3 ALA A 98 -4.171 -4.149 7.487 1.00 15.43 H new ATOM 1618 N GLN A 99 -7.011 -5.743 9.913 1.00 30.33 N ATOM 1619 CA GLN A 99 -8.422 -5.413 10.182 1.00 51.41 C ATOM 1620 C GLN A 99 -8.507 -4.126 11.010 1.00 51.12 C ATOM 1621 O GLN A 99 -9.541 -3.457 11.031 1.00 14.13 O ATOM 1622 CB GLN A 99 -9.122 -6.588 10.921 1.00 14.54 C ATOM 1623 CG GLN A 99 -9.076 -7.934 10.166 1.00 40.13 C ATOM 1624 CD GLN A 99 -9.767 -9.067 10.931 1.00 31.42 C ATOM 1625 OE1 GLN A 99 -10.965 -9.304 10.771 1.00 13.41 O ATOM 1626 NE2 GLN A 99 -9.027 -9.762 11.792 1.00 55.32 N ATOM 0 H GLN A 99 -6.601 -6.354 10.620 1.00 30.33 H new ATOM 0 HA GLN A 99 -8.936 -5.254 9.234 1.00 51.41 H new ATOM 0 HB2 GLN A 99 -8.655 -6.717 11.897 1.00 14.54 H new ATOM 0 HB3 GLN A 99 -10.164 -6.320 11.099 1.00 14.54 H new ATOM 0 HG2 GLN A 99 -9.552 -7.816 9.193 1.00 40.13 H new ATOM 0 HG3 GLN A 99 -8.037 -8.207 9.982 1.00 40.13 H new ATOM 0 HE21 GLN A 99 -8.037 -9.545 11.905 1.00 55.32 H new ATOM 0 HE22 GLN A 99 -9.450 -10.512 12.339 1.00 55.32 H new ATOM 1635 N ASP A 100 -7.398 -3.795 11.687 1.00 15.14 N ATOM 1636 CA ASP A 100 -7.264 -2.564 12.471 1.00 43.51 C ATOM 1637 C ASP A 100 -6.353 -1.578 11.730 1.00 64.41 C ATOM 1638 O ASP A 100 -5.319 -1.965 11.179 1.00 42.40 O ATOM 1639 CB ASP A 100 -6.715 -2.873 13.889 1.00 72.12 C ATOM 1640 CG ASP A 100 -7.724 -3.662 14.742 1.00 14.34 C ATOM 1641 OD1 ASP A 100 -8.554 -3.036 15.440 1.00 10.25 O ATOM 1642 OD2 ASP A 100 -7.711 -4.909 14.699 1.00 51.32 O ATOM 0 H ASP A 100 -6.563 -4.381 11.704 1.00 15.14 H new ATOM 0 HA ASP A 100 -8.247 -2.109 12.591 1.00 43.51 H new ATOM 0 HB2 ASP A 100 -5.790 -3.443 13.803 1.00 72.12 H new ATOM 0 HB3 ASP A 100 -6.468 -1.939 14.393 1.00 72.12 H new ATOM 1647 N LYS A 101 -6.780 -0.307 11.717 1.00 4.02 N ATOM 1648 CA LYS A 101 -5.997 0.847 11.216 1.00 61.14 C ATOM 1649 C LYS A 101 -4.694 1.052 12.020 1.00 22.44 C ATOM 1650 O LYS A 101 -3.742 1.678 11.531 1.00 43.11 O ATOM 1651 CB LYS A 101 -6.905 2.104 11.249 1.00 14.42 C ATOM 1652 CG LYS A 101 -7.648 2.346 12.594 1.00 55.34 C ATOM 1653 CD LYS A 101 -8.737 3.437 12.462 1.00 21.15 C ATOM 1654 CE LYS A 101 -9.503 3.704 13.764 1.00 71.33 C ATOM 1655 NZ LYS A 101 -10.512 4.785 13.598 1.00 44.25 N ATOM 0 H LYS A 101 -7.702 -0.040 12.062 1.00 4.02 H new ATOM 0 HA LYS A 101 -5.682 0.655 10.190 1.00 61.14 H new ATOM 0 HB2 LYS A 101 -6.295 2.980 11.026 1.00 14.42 H new ATOM 0 HB3 LYS A 101 -7.645 2.020 10.453 1.00 14.42 H new ATOM 0 HG2 LYS A 101 -8.105 1.415 12.929 1.00 55.34 H new ATOM 0 HG3 LYS A 101 -6.929 2.641 13.358 1.00 55.34 H new ATOM 0 HD2 LYS A 101 -8.271 4.364 12.128 1.00 21.15 H new ATOM 0 HD3 LYS A 101 -9.445 3.139 11.689 1.00 21.15 H new ATOM 0 HE2 LYS A 101 -10.000 2.789 14.088 1.00 71.33 H new ATOM 0 HE3 LYS A 101 -8.800 3.980 14.550 1.00 71.33 H new ATOM 0 HZ1 LYS A 101 -10.814 5.125 14.533 1.00 44.25 H new ATOM 0 HZ2 LYS A 101 -10.093 5.572 13.063 1.00 44.25 H new ATOM 0 HZ3 LYS A 101 -11.335 4.415 13.082 1.00 44.25 H new ATOM 1669 N GLU A 102 -4.683 0.489 13.242 1.00 14.11 N ATOM 1670 CA GLU A 102 -3.501 0.425 14.120 1.00 63.23 C ATOM 1671 C GLU A 102 -2.434 -0.462 13.473 1.00 35.35 C ATOM 1672 O GLU A 102 -1.263 -0.103 13.391 1.00 15.31 O ATOM 1673 CB GLU A 102 -3.904 -0.149 15.510 1.00 33.01 C ATOM 1674 CG GLU A 102 -5.178 0.491 16.079 1.00 5.33 C ATOM 1675 CD GLU A 102 -5.496 0.081 17.528 1.00 24.35 C ATOM 1676 OE1 GLU A 102 -6.054 -1.015 17.738 1.00 52.54 O ATOM 1677 OE2 GLU A 102 -5.201 0.858 18.463 1.00 54.41 O ATOM 0 H GLU A 102 -5.511 0.058 13.654 1.00 14.11 H new ATOM 0 HA GLU A 102 -3.098 1.428 14.259 1.00 63.23 H new ATOM 0 HB2 GLU A 102 -4.053 -1.225 15.423 1.00 33.01 H new ATOM 0 HB3 GLU A 102 -3.084 0.003 16.211 1.00 33.01 H new ATOM 0 HG2 GLU A 102 -5.078 1.575 16.034 1.00 5.33 H new ATOM 0 HG3 GLU A 102 -6.022 0.222 15.443 1.00 5.33 H new ATOM 1684 N GLU A 103 -2.901 -1.625 13.005 1.00 51.32 N ATOM 1685 CA GLU A 103 -2.072 -2.644 12.323 1.00 43.33 C ATOM 1686 C GLU A 103 -1.617 -2.188 10.925 1.00 3.23 C ATOM 1687 O GLU A 103 -0.552 -2.604 10.459 1.00 24.34 O ATOM 1688 CB GLU A 103 -2.857 -3.977 12.220 1.00 13.35 C ATOM 1689 CG GLU A 103 -3.249 -4.578 13.582 1.00 23.30 C ATOM 1690 CD GLU A 103 -2.037 -5.037 14.408 1.00 23.02 C ATOM 1691 OE1 GLU A 103 -1.533 -6.153 14.159 1.00 44.53 O ATOM 1692 OE2 GLU A 103 -1.574 -4.292 15.299 1.00 44.32 O ATOM 0 H GLU A 103 -3.881 -1.896 13.087 1.00 51.32 H new ATOM 0 HA GLU A 103 -1.173 -2.790 12.922 1.00 43.33 H new ATOM 0 HB2 GLU A 103 -3.761 -3.810 11.634 1.00 13.35 H new ATOM 0 HB3 GLU A 103 -2.253 -4.702 11.675 1.00 13.35 H new ATOM 0 HG2 GLU A 103 -3.810 -3.837 14.152 1.00 23.30 H new ATOM 0 HG3 GLU A 103 -3.914 -5.427 13.421 1.00 23.30 H new ATOM 1699 N VAL A 104 -2.439 -1.353 10.255 1.00 64.14 N ATOM 1700 CA VAL A 104 -2.104 -0.788 8.939 1.00 32.01 C ATOM 1701 C VAL A 104 -0.911 0.178 9.060 1.00 33.44 C ATOM 1702 O VAL A 104 0.096 0.008 8.370 1.00 34.43 O ATOM 1703 CB VAL A 104 -3.336 -0.051 8.284 1.00 13.30 C ATOM 1704 CG1 VAL A 104 -2.945 0.646 6.960 1.00 45.54 C ATOM 1705 CG2 VAL A 104 -4.518 -1.025 8.056 1.00 43.20 C ATOM 0 H VAL A 104 -3.347 -1.055 10.612 1.00 64.14 H new ATOM 0 HA VAL A 104 -1.831 -1.618 8.287 1.00 32.01 H new ATOM 0 HB VAL A 104 -3.658 0.719 8.985 1.00 13.30 H new ATOM 0 HG11 VAL A 104 -3.819 1.143 6.538 1.00 45.54 H new ATOM 0 HG12 VAL A 104 -2.166 1.384 7.153 1.00 45.54 H new ATOM 0 HG13 VAL A 104 -2.574 -0.097 6.254 1.00 45.54 H new ATOM 0 HG21 VAL A 104 -5.351 -0.487 7.604 1.00 43.20 H new ATOM 0 HG22 VAL A 104 -4.203 -1.830 7.392 1.00 43.20 H new ATOM 0 HG23 VAL A 104 -4.833 -1.445 9.011 1.00 43.20 H new ATOM 1715 N LYS A 105 -1.029 1.181 9.962 1.00 54.10 N ATOM 1716 CA LYS A 105 0.038 2.184 10.173 1.00 50.15 C ATOM 1717 C LYS A 105 1.314 1.539 10.750 1.00 71.25 C ATOM 1718 O LYS A 105 2.425 2.006 10.479 1.00 44.45 O ATOM 1719 CB LYS A 105 -0.438 3.344 11.084 1.00 51.53 C ATOM 1720 CG LYS A 105 -0.789 2.945 12.531 1.00 2.31 C ATOM 1721 CD LYS A 105 -1.260 4.147 13.377 1.00 75.53 C ATOM 1722 CE LYS A 105 -1.661 3.760 14.803 1.00 74.14 C ATOM 1723 NZ LYS A 105 -2.164 4.933 15.564 1.00 42.44 N ATOM 0 H LYS A 105 -1.850 1.316 10.552 1.00 54.10 H new ATOM 0 HA LYS A 105 0.278 2.599 9.194 1.00 50.15 H new ATOM 0 HB2 LYS A 105 0.343 4.104 11.114 1.00 51.53 H new ATOM 0 HB3 LYS A 105 -1.315 3.805 10.629 1.00 51.53 H new ATOM 0 HG2 LYS A 105 -1.572 2.186 12.516 1.00 2.31 H new ATOM 0 HG3 LYS A 105 0.084 2.493 13.002 1.00 2.31 H new ATOM 0 HD2 LYS A 105 -0.462 4.888 13.419 1.00 75.53 H new ATOM 0 HD3 LYS A 105 -2.109 4.620 12.883 1.00 75.53 H new ATOM 0 HE2 LYS A 105 -2.431 2.989 14.769 1.00 74.14 H new ATOM 0 HE3 LYS A 105 -0.803 3.330 15.320 1.00 74.14 H new ATOM 0 HZ1 LYS A 105 -1.982 4.793 16.578 1.00 42.44 H new ATOM 0 HZ2 LYS A 105 -1.676 5.792 15.240 1.00 42.44 H new ATOM 0 HZ3 LYS A 105 -3.187 5.036 15.407 1.00 42.44 H new ATOM 1737 N ASP A 106 1.128 0.482 11.571 1.00 60.41 N ATOM 1738 CA ASP A 106 2.224 -0.337 12.110 1.00 64.01 C ATOM 1739 C ASP A 106 2.982 -1.040 10.977 1.00 42.41 C ATOM 1740 O ASP A 106 4.205 -1.048 10.975 1.00 5.12 O ATOM 1741 CB ASP A 106 1.659 -1.377 13.116 1.00 14.23 C ATOM 1742 CG ASP A 106 2.753 -2.119 13.910 1.00 3.01 C ATOM 1743 OD1 ASP A 106 3.349 -1.500 14.815 1.00 25.01 O ATOM 1744 OD2 ASP A 106 2.989 -3.322 13.661 1.00 64.41 O ATOM 0 H ASP A 106 0.205 0.175 11.877 1.00 60.41 H new ATOM 0 HA ASP A 106 2.925 0.314 12.632 1.00 64.01 H new ATOM 0 HB2 ASP A 106 0.994 -0.871 13.815 1.00 14.23 H new ATOM 0 HB3 ASP A 106 1.057 -2.106 12.574 1.00 14.23 H new ATOM 1749 N ALA A 107 2.228 -1.579 9.999 1.00 42.22 N ATOM 1750 CA ALA A 107 2.790 -2.273 8.826 1.00 14.52 C ATOM 1751 C ALA A 107 3.625 -1.319 7.963 1.00 33.54 C ATOM 1752 O ALA A 107 4.668 -1.711 7.441 1.00 61.25 O ATOM 1753 CB ALA A 107 1.665 -2.889 7.989 1.00 54.32 C ATOM 0 H ALA A 107 1.209 -1.545 10.001 1.00 42.22 H new ATOM 0 HA ALA A 107 3.446 -3.066 9.186 1.00 14.52 H new ATOM 0 HB1 ALA A 107 2.092 -3.399 7.125 1.00 54.32 H new ATOM 0 HB2 ALA A 107 1.110 -3.605 8.596 1.00 54.32 H new ATOM 0 HB3 ALA A 107 0.991 -2.102 7.650 1.00 54.32 H new ATOM 1759 N VAL A 108 3.131 -0.068 7.832 1.00 72.33 N ATOM 1760 CA VAL A 108 3.809 1.021 7.106 1.00 5.30 C ATOM 1761 C VAL A 108 5.173 1.343 7.759 1.00 51.34 C ATOM 1762 O VAL A 108 6.208 1.345 7.085 1.00 63.42 O ATOM 1763 CB VAL A 108 2.895 2.314 7.058 1.00 22.34 C ATOM 1764 CG1 VAL A 108 3.625 3.515 6.413 1.00 43.32 C ATOM 1765 CG2 VAL A 108 1.564 2.024 6.319 1.00 32.52 C ATOM 0 H VAL A 108 2.237 0.214 8.234 1.00 72.33 H new ATOM 0 HA VAL A 108 3.988 0.691 6.083 1.00 5.30 H new ATOM 0 HB VAL A 108 2.668 2.585 8.089 1.00 22.34 H new ATOM 0 HG11 VAL A 108 2.962 4.380 6.401 1.00 43.32 H new ATOM 0 HG12 VAL A 108 4.518 3.751 6.991 1.00 43.32 H new ATOM 0 HG13 VAL A 108 3.910 3.262 5.392 1.00 43.32 H new ATOM 0 HG21 VAL A 108 0.954 2.927 6.300 1.00 32.52 H new ATOM 0 HG22 VAL A 108 1.776 1.707 5.298 1.00 32.52 H new ATOM 0 HG23 VAL A 108 1.024 1.233 6.839 1.00 32.52 H new ATOM 1775 N GLU A 109 5.153 1.562 9.086 1.00 52.23 N ATOM 1776 CA GLU A 109 6.353 1.903 9.875 1.00 12.42 C ATOM 1777 C GLU A 109 7.408 0.780 9.802 1.00 44.22 C ATOM 1778 O GLU A 109 8.586 1.042 9.544 1.00 12.31 O ATOM 1779 CB GLU A 109 5.958 2.179 11.345 1.00 14.22 C ATOM 1780 CG GLU A 109 7.146 2.508 12.274 1.00 62.44 C ATOM 1781 CD GLU A 109 6.738 2.807 13.724 1.00 75.50 C ATOM 1782 OE1 GLU A 109 7.010 3.919 14.227 1.00 34.21 O ATOM 1783 OE2 GLU A 109 6.120 1.930 14.362 1.00 12.12 O ATOM 0 H GLU A 109 4.301 1.507 9.644 1.00 52.23 H new ATOM 0 HA GLU A 109 6.796 2.803 9.450 1.00 12.42 H new ATOM 0 HB2 GLU A 109 5.253 3.010 11.369 1.00 14.22 H new ATOM 0 HB3 GLU A 109 5.436 1.307 11.738 1.00 14.22 H new ATOM 0 HG2 GLU A 109 7.842 1.669 12.268 1.00 62.44 H new ATOM 0 HG3 GLU A 109 7.681 3.369 11.873 1.00 62.44 H new ATOM 1790 N GLU A 110 6.946 -0.469 10.000 1.00 20.32 N ATOM 1791 CA GLU A 110 7.805 -1.670 10.002 1.00 32.15 C ATOM 1792 C GLU A 110 8.384 -1.958 8.594 1.00 71.02 C ATOM 1793 O GLU A 110 9.458 -2.545 8.478 1.00 25.15 O ATOM 1794 CB GLU A 110 7.017 -2.901 10.538 1.00 13.25 C ATOM 1795 CG GLU A 110 6.559 -2.795 12.013 1.00 62.33 C ATOM 1796 CD GLU A 110 7.720 -2.581 12.999 1.00 23.22 C ATOM 1797 OE1 GLU A 110 8.444 -3.559 13.304 1.00 21.41 O ATOM 1798 OE2 GLU A 110 7.915 -1.446 13.481 1.00 12.13 O ATOM 0 H GLU A 110 5.961 -0.675 10.164 1.00 20.32 H new ATOM 0 HA GLU A 110 8.646 -1.478 10.668 1.00 32.15 H new ATOM 0 HB2 GLU A 110 6.138 -3.052 9.911 1.00 13.25 H new ATOM 0 HB3 GLU A 110 7.642 -3.788 10.430 1.00 13.25 H new ATOM 0 HG2 GLU A 110 5.854 -1.969 12.108 1.00 62.33 H new ATOM 0 HG3 GLU A 110 6.023 -3.704 12.286 1.00 62.33 H new ATOM 1805 N PHE A 111 7.657 -1.528 7.544 1.00 22.55 N ATOM 1806 CA PHE A 111 8.093 -1.631 6.128 1.00 12.11 C ATOM 1807 C PHE A 111 9.264 -0.654 5.880 1.00 75.14 C ATOM 1808 O PHE A 111 10.227 -0.970 5.172 1.00 22.03 O ATOM 1809 CB PHE A 111 6.876 -1.290 5.207 1.00 52.40 C ATOM 1810 CG PHE A 111 7.015 -1.603 3.707 1.00 62.13 C ATOM 1811 CD1 PHE A 111 6.799 -2.898 3.225 1.00 10.44 C ATOM 1812 CD2 PHE A 111 7.302 -0.604 2.771 1.00 74.10 C ATOM 1813 CE1 PHE A 111 6.874 -3.183 1.875 1.00 34.03 C ATOM 1814 CE2 PHE A 111 7.381 -0.898 1.420 1.00 54.14 C ATOM 1815 CZ PHE A 111 7.161 -2.184 0.976 1.00 64.25 C ATOM 0 H PHE A 111 6.740 -1.094 7.651 1.00 22.55 H new ATOM 0 HA PHE A 111 8.438 -2.641 5.904 1.00 12.11 H new ATOM 0 HB2 PHE A 111 6.007 -1.828 5.584 1.00 52.40 H new ATOM 0 HB3 PHE A 111 6.662 -0.226 5.311 1.00 52.40 H new ATOM 0 HD1 PHE A 111 6.569 -3.691 3.922 1.00 10.44 H new ATOM 0 HD2 PHE A 111 7.464 0.410 3.106 1.00 74.10 H new ATOM 0 HE1 PHE A 111 6.707 -4.191 1.526 1.00 34.03 H new ATOM 0 HE2 PHE A 111 7.616 -0.117 0.712 1.00 54.14 H new ATOM 0 HZ PHE A 111 7.214 -2.407 -0.079 1.00 64.25 H new ATOM 1825 N LEU A 112 9.155 0.537 6.512 1.00 43.15 N ATOM 1826 CA LEU A 112 10.125 1.638 6.368 1.00 53.45 C ATOM 1827 C LEU A 112 11.399 1.438 7.222 1.00 55.55 C ATOM 1828 O LEU A 112 12.471 1.914 6.833 1.00 21.44 O ATOM 1829 CB LEU A 112 9.430 2.991 6.697 1.00 42.43 C ATOM 1830 CG LEU A 112 8.255 3.374 5.737 1.00 60.13 C ATOM 1831 CD1 LEU A 112 7.568 4.685 6.151 1.00 51.14 C ATOM 1832 CD2 LEU A 112 8.736 3.438 4.285 1.00 11.44 C ATOM 0 H LEU A 112 8.383 0.759 7.141 1.00 43.15 H new ATOM 0 HA LEU A 112 10.463 1.646 5.332 1.00 53.45 H new ATOM 0 HB2 LEU A 112 9.048 2.949 7.717 1.00 42.43 H new ATOM 0 HB3 LEU A 112 10.177 3.784 6.669 1.00 42.43 H new ATOM 0 HG LEU A 112 7.506 2.586 5.817 1.00 60.13 H new ATOM 0 HD11 LEU A 112 6.760 4.908 5.454 1.00 51.14 H new ATOM 0 HD12 LEU A 112 7.162 4.581 7.157 1.00 51.14 H new ATOM 0 HD13 LEU A 112 8.295 5.497 6.136 1.00 51.14 H new ATOM 0 HD21 LEU A 112 7.902 3.706 3.637 1.00 11.44 H new ATOM 0 HD22 LEU A 112 9.521 4.188 4.195 1.00 11.44 H new ATOM 0 HD23 LEU A 112 9.128 2.465 3.988 1.00 11.44 H new ATOM 1844 N LYS A 113 11.284 0.740 8.380 1.00 24.31 N ATOM 1845 CA LYS A 113 12.449 0.409 9.246 1.00 42.42 C ATOM 1846 C LYS A 113 13.394 -0.571 8.537 1.00 60.13 C ATOM 1847 O LYS A 113 14.624 -0.494 8.682 1.00 2.44 O ATOM 1848 CB LYS A 113 11.975 -0.186 10.598 1.00 74.44 C ATOM 1849 CG LYS A 113 11.252 0.822 11.517 1.00 22.42 C ATOM 1850 CD LYS A 113 10.821 0.179 12.854 1.00 20.22 C ATOM 1851 CE LYS A 113 10.191 1.177 13.828 1.00 12.40 C ATOM 1852 NZ LYS A 113 9.717 0.508 15.063 1.00 20.42 N ATOM 0 H LYS A 113 10.394 0.394 8.738 1.00 24.31 H new ATOM 0 HA LYS A 113 12.994 1.332 9.445 1.00 42.42 H new ATOM 0 HB2 LYS A 113 11.306 -1.023 10.399 1.00 74.44 H new ATOM 0 HB3 LYS A 113 12.839 -0.588 11.128 1.00 74.44 H new ATOM 0 HG2 LYS A 113 11.910 1.668 11.717 1.00 22.42 H new ATOM 0 HG3 LYS A 113 10.374 1.216 11.004 1.00 22.42 H new ATOM 0 HD2 LYS A 113 10.108 -0.621 12.652 1.00 20.22 H new ATOM 0 HD3 LYS A 113 11.690 -0.280 13.326 1.00 20.22 H new ATOM 0 HE2 LYS A 113 10.921 1.945 14.086 1.00 12.40 H new ATOM 0 HE3 LYS A 113 9.355 1.682 13.343 1.00 12.40 H new ATOM 0 HZ1 LYS A 113 9.235 1.201 15.670 1.00 20.42 H new ATOM 0 HZ2 LYS A 113 9.054 -0.253 14.813 1.00 20.42 H new ATOM 0 HZ3 LYS A 113 10.529 0.106 15.573 1.00 20.42 H new ATOM 1866 N GLU A 114 12.791 -1.497 7.776 1.00 0.30 N ATOM 1867 CA GLU A 114 13.529 -2.464 6.950 1.00 13.12 C ATOM 1868 C GLU A 114 13.948 -1.813 5.615 1.00 53.24 C ATOM 1869 O GLU A 114 14.903 -2.260 4.973 1.00 64.41 O ATOM 1870 CB GLU A 114 12.628 -3.690 6.691 1.00 23.44 C ATOM 1871 CG GLU A 114 11.996 -4.325 7.954 1.00 1.41 C ATOM 1872 CD GLU A 114 12.970 -5.122 8.845 1.00 75.42 C ATOM 1873 OE1 GLU A 114 12.825 -6.357 8.943 1.00 52.11 O ATOM 1874 OE2 GLU A 114 13.879 -4.520 9.462 1.00 54.42 O ATOM 0 H GLU A 114 11.778 -1.596 7.716 1.00 0.30 H new ATOM 0 HA GLU A 114 14.432 -2.780 7.472 1.00 13.12 H new ATOM 0 HB2 GLU A 114 11.827 -3.395 6.013 1.00 23.44 H new ATOM 0 HB3 GLU A 114 13.216 -4.451 6.177 1.00 23.44 H new ATOM 0 HG2 GLU A 114 11.546 -3.533 8.553 1.00 1.41 H new ATOM 0 HG3 GLU A 114 11.188 -4.988 7.643 1.00 1.41 H new ATOM 1881 N GLY A 115 13.219 -0.735 5.233 1.00 14.44 N ATOM 1882 CA GLY A 115 13.464 0.013 3.995 1.00 64.53 C ATOM 1883 C GLY A 115 13.223 -0.816 2.742 1.00 31.33 C ATOM 1884 O GLY A 115 13.926 -0.663 1.737 1.00 32.42 O ATOM 0 H GLY A 115 12.444 -0.366 5.784 1.00 14.44 H new ATOM 0 HA2 GLY A 115 12.818 0.891 3.973 1.00 64.53 H new ATOM 0 HA3 GLY A 115 14.492 0.374 3.993 1.00 64.53 H new ATOM 1888 N GLY A 116 12.226 -1.706 2.819 1.00 62.33 N ATOM 1889 CA GLY A 116 11.914 -2.647 1.749 1.00 4.34 C ATOM 1890 C GLY A 116 10.907 -3.668 2.230 1.00 40.15 C ATOM 1891 O GLY A 116 9.833 -3.279 2.663 1.00 44.23 O ATOM 0 H GLY A 116 11.614 -1.790 3.630 1.00 62.33 H new ATOM 0 HA2 GLY A 116 11.516 -2.111 0.887 1.00 4.34 H new ATOM 0 HA3 GLY A 116 12.824 -3.149 1.420 1.00 4.34 H new ATOM 1895 N SER A 117 11.268 -4.965 2.190 1.00 60.12 N ATOM 1896 CA SER A 117 10.407 -6.079 2.671 1.00 42.32 C ATOM 1897 C SER A 117 10.034 -5.921 4.171 1.00 21.42 C ATOM 1898 O SER A 117 10.716 -5.209 4.900 1.00 22.50 O ATOM 1899 CB SER A 117 11.149 -7.418 2.434 1.00 61.33 C ATOM 1900 OG SER A 117 10.474 -8.529 3.007 1.00 64.31 O ATOM 0 H SER A 117 12.167 -5.278 1.823 1.00 60.12 H new ATOM 0 HA SER A 117 9.472 -6.063 2.111 1.00 42.32 H new ATOM 0 HB2 SER A 117 11.263 -7.581 1.362 1.00 61.33 H new ATOM 0 HB3 SER A 117 12.152 -7.352 2.854 1.00 61.33 H new ATOM 0 HG SER A 117 11.073 -8.990 3.631 1.00 64.31 H new ATOM 1906 N LEU A 118 8.950 -6.591 4.621 1.00 54.25 N ATOM 1907 CA LEU A 118 8.557 -6.599 6.056 1.00 44.13 C ATOM 1908 C LEU A 118 9.557 -7.412 6.907 1.00 4.21 C ATOM 1909 O LEU A 118 9.698 -7.176 8.109 1.00 14.42 O ATOM 1910 CB LEU A 118 7.134 -7.190 6.241 1.00 74.32 C ATOM 1911 CG LEU A 118 5.955 -6.401 5.591 1.00 30.55 C ATOM 1912 CD1 LEU A 118 4.616 -7.150 5.788 1.00 61.32 C ATOM 1913 CD2 LEU A 118 5.882 -4.953 6.130 1.00 5.14 C ATOM 0 H LEU A 118 8.331 -7.132 4.017 1.00 54.25 H new ATOM 0 HA LEU A 118 8.563 -5.563 6.394 1.00 44.13 H new ATOM 0 HB2 LEU A 118 7.131 -8.202 5.835 1.00 74.32 H new ATOM 0 HB3 LEU A 118 6.938 -7.275 7.310 1.00 74.32 H new ATOM 0 HG LEU A 118 6.144 -6.337 4.519 1.00 30.55 H new ATOM 0 HD11 LEU A 118 3.809 -6.581 5.326 1.00 61.32 H new ATOM 0 HD12 LEU A 118 4.678 -8.134 5.323 1.00 61.32 H new ATOM 0 HD13 LEU A 118 4.416 -7.264 6.853 1.00 61.32 H new ATOM 0 HD21 LEU A 118 5.050 -4.430 5.657 1.00 5.14 H new ATOM 0 HD22 LEU A 118 5.731 -4.974 7.209 1.00 5.14 H new ATOM 0 HD23 LEU A 118 6.813 -4.433 5.904 1.00 5.14 H new ATOM 1925 N GLU A 119 10.233 -8.378 6.269 1.00 23.53 N ATOM 1926 CA GLU A 119 11.173 -9.288 6.946 1.00 4.22 C ATOM 1927 C GLU A 119 12.442 -9.518 6.094 1.00 11.13 C ATOM 1928 O GLU A 119 12.406 -9.475 4.863 1.00 1.52 O ATOM 1929 CB GLU A 119 10.469 -10.645 7.240 1.00 34.24 C ATOM 1930 CG GLU A 119 9.980 -11.406 5.983 1.00 74.42 C ATOM 1931 CD GLU A 119 9.247 -12.714 6.324 1.00 3.53 C ATOM 1932 OE1 GLU A 119 9.917 -13.734 6.610 1.00 23.32 O ATOM 1933 OE2 GLU A 119 7.993 -12.732 6.305 1.00 2.42 O ATOM 0 H GLU A 119 10.145 -8.552 5.268 1.00 23.53 H new ATOM 0 HA GLU A 119 11.481 -8.828 7.885 1.00 4.22 H new ATOM 0 HB2 GLU A 119 11.159 -11.285 7.790 1.00 34.24 H new ATOM 0 HB3 GLU A 119 9.615 -10.462 7.892 1.00 34.24 H new ATOM 0 HG2 GLU A 119 9.314 -10.761 5.410 1.00 74.42 H new ATOM 0 HG3 GLU A 119 10.835 -11.630 5.344 1.00 74.42 H new ATOM 1940 N HIS A 120 13.566 -9.716 6.782 1.00 74.45 N ATOM 1941 CA HIS A 120 14.816 -10.261 6.198 1.00 35.42 C ATOM 1942 C HIS A 120 15.355 -11.392 7.095 1.00 5.11 C ATOM 1943 O HIS A 120 16.391 -11.991 6.799 1.00 63.14 O ATOM 1944 CB HIS A 120 15.869 -9.144 5.940 1.00 34.15 C ATOM 1945 CG HIS A 120 16.098 -8.188 7.077 1.00 32.41 C ATOM 1946 ND1 HIS A 120 16.995 -8.425 8.085 1.00 72.23 N ATOM 1947 CD2 HIS A 120 15.551 -6.980 7.346 1.00 74.40 C ATOM 1948 CE1 HIS A 120 16.991 -7.411 8.923 1.00 14.11 C ATOM 1949 NE2 HIS A 120 16.124 -6.520 8.499 1.00 23.21 N ATOM 0 H HIS A 120 13.647 -9.503 7.776 1.00 74.45 H new ATOM 0 HA HIS A 120 14.594 -10.685 5.219 1.00 35.42 H new ATOM 0 HB2 HIS A 120 16.819 -9.617 5.690 1.00 34.15 H new ATOM 0 HB3 HIS A 120 15.558 -8.572 5.066 1.00 34.15 H new ATOM 0 HD2 HIS A 120 14.800 -6.473 6.758 1.00 74.40 H new ATOM 0 HE1 HIS A 120 17.599 -7.325 9.811 1.00 14.11 H new ATOM 0 HE2 HIS A 120 15.913 -5.632 8.954 1.00 23.21 H new ATOM 1958 N HIS A 121 14.615 -11.652 8.192 1.00 60.42 N ATOM 1959 CA HIS A 121 14.759 -12.814 9.083 1.00 54.32 C ATOM 1960 C HIS A 121 13.394 -13.050 9.753 1.00 20.44 C ATOM 1961 O HIS A 121 12.886 -12.147 10.436 1.00 42.23 O ATOM 1962 CB HIS A 121 15.852 -12.591 10.185 1.00 52.31 C ATOM 1963 CG HIS A 121 17.272 -12.673 9.699 1.00 13.50 C ATOM 1964 ND1 HIS A 121 18.164 -11.624 9.753 1.00 43.45 N ATOM 1965 CD2 HIS A 121 17.950 -13.704 9.144 1.00 64.04 C ATOM 1966 CE1 HIS A 121 19.318 -12.011 9.248 1.00 50.54 C ATOM 1967 NE2 HIS A 121 19.213 -13.266 8.875 1.00 64.00 N ATOM 0 H HIS A 121 13.867 -11.027 8.492 1.00 60.42 H new ATOM 0 HA HIS A 121 15.077 -13.674 8.494 1.00 54.32 H new ATOM 0 HB2 HIS A 121 15.695 -11.612 10.638 1.00 52.31 H new ATOM 0 HB3 HIS A 121 15.710 -13.332 10.971 1.00 52.31 H new ATOM 0 HD2 HIS A 121 17.562 -14.693 8.950 1.00 64.04 H new ATOM 0 HE1 HIS A 121 20.203 -11.398 9.156 1.00 50.54 H new ATOM 0 HE2 HIS A 121 19.956 -13.823 8.453 1.00 64.00 H new ATOM 1976 N HIS A 122 12.780 -14.231 9.518 1.00 2.24 N ATOM 1977 CA HIS A 122 11.603 -14.679 10.286 1.00 35.14 C ATOM 1978 C HIS A 122 12.057 -15.021 11.724 1.00 2.21 C ATOM 1979 O HIS A 122 12.337 -16.185 12.060 1.00 63.44 O ATOM 1980 CB HIS A 122 10.887 -15.881 9.602 1.00 64.10 C ATOM 1981 CG HIS A 122 9.748 -16.467 10.420 1.00 3.21 C ATOM 1982 ND1 HIS A 122 8.627 -15.748 10.786 1.00 23.20 N ATOM 1983 CD2 HIS A 122 9.586 -17.697 10.972 1.00 54.45 C ATOM 1984 CE1 HIS A 122 7.842 -16.502 11.529 1.00 3.41 C ATOM 1985 NE2 HIS A 122 8.399 -17.686 11.651 1.00 24.12 N ATOM 0 H HIS A 122 13.083 -14.890 8.801 1.00 2.24 H new ATOM 0 HA HIS A 122 10.867 -13.876 10.321 1.00 35.14 H new ATOM 0 HB2 HIS A 122 10.499 -15.558 8.636 1.00 64.10 H new ATOM 0 HB3 HIS A 122 11.620 -16.663 9.405 1.00 64.10 H new ATOM 0 HD2 HIS A 122 10.268 -18.530 10.890 1.00 54.45 H new ATOM 0 HE1 HIS A 122 6.901 -16.199 11.964 1.00 3.41 H new ATOM 0 HE2 HIS A 122 8.008 -18.472 12.170 1.00 24.12 H new ATOM 1994 N HIS A 123 12.167 -13.961 12.533 1.00 4.45 N ATOM 1995 CA HIS A 123 12.785 -13.985 13.859 1.00 10.01 C ATOM 1996 C HIS A 123 12.645 -12.600 14.503 1.00 63.34 C ATOM 1997 O HIS A 123 13.333 -11.655 14.110 1.00 2.45 O ATOM 1998 CB HIS A 123 14.295 -14.395 13.764 1.00 53.23 C ATOM 1999 CG HIS A 123 15.114 -14.136 15.010 1.00 33.40 C ATOM 2000 ND1 HIS A 123 15.016 -14.897 16.155 1.00 44.05 N ATOM 2001 CD2 HIS A 123 16.049 -13.187 15.283 1.00 73.01 C ATOM 2002 CE1 HIS A 123 15.839 -14.422 17.068 1.00 0.01 C ATOM 2003 NE2 HIS A 123 16.477 -13.388 16.563 1.00 64.12 N ATOM 0 H HIS A 123 11.818 -13.038 12.274 1.00 4.45 H new ATOM 0 HA HIS A 123 12.278 -14.727 14.476 1.00 10.01 H new ATOM 0 HB2 HIS A 123 14.352 -15.457 13.526 1.00 53.23 H new ATOM 0 HB3 HIS A 123 14.749 -13.857 12.932 1.00 53.23 H new ATOM 0 HD1 HIS A 123 14.402 -15.702 16.277 1.00 44.05 H new ATOM 0 HD2 HIS A 123 16.391 -12.415 14.609 1.00 73.01 H new ATOM 0 HE1 HIS A 123 15.968 -14.816 18.065 1.00 0.01 H new ATOM 2012 N HIS A 124 11.687 -12.475 15.420 1.00 35.05 N ATOM 2013 CA HIS A 124 11.684 -11.418 16.448 1.00 12.13 C ATOM 2014 C HIS A 124 12.425 -11.988 17.671 1.00 14.52 C ATOM 2015 O HIS A 124 13.451 -11.452 18.116 1.00 65.34 O ATOM 2016 CB HIS A 124 10.232 -11.001 16.813 1.00 1.52 C ATOM 2017 CG HIS A 124 9.471 -10.374 15.672 1.00 15.14 C ATOM 2018 ND1 HIS A 124 8.400 -10.981 15.048 1.00 73.33 N ATOM 2019 CD2 HIS A 124 9.627 -9.178 15.053 1.00 34.14 C ATOM 2020 CE1 HIS A 124 7.937 -10.189 14.101 1.00 74.05 C ATOM 2021 NE2 HIS A 124 8.665 -9.092 14.083 1.00 54.23 N ATOM 0 H HIS A 124 10.885 -13.103 15.477 1.00 35.05 H new ATOM 0 HA HIS A 124 12.179 -10.518 16.083 1.00 12.13 H new ATOM 0 HB2 HIS A 124 9.688 -11.880 17.160 1.00 1.52 H new ATOM 0 HB3 HIS A 124 10.265 -10.298 17.645 1.00 1.52 H new ATOM 0 HD2 HIS A 124 10.373 -8.431 15.283 1.00 34.14 H new ATOM 0 HE1 HIS A 124 7.102 -10.404 13.450 1.00 74.05 H new ATOM 0 HE2 HIS A 124 8.533 -8.305 13.448 1.00 54.23 H new ATOM 2030 N HIS A 125 11.874 -13.105 18.172 1.00 4.53 N ATOM 2031 CA HIS A 125 12.516 -14.012 19.134 1.00 43.44 C ATOM 2032 C HIS A 125 12.138 -15.448 18.703 1.00 43.52 C ATOM 2033 O HIS A 125 11.044 -15.920 19.070 1.00 4.21 O ATOM 2034 CB HIS A 125 12.075 -13.721 20.606 1.00 10.32 C ATOM 2035 CG HIS A 125 12.602 -12.434 21.170 1.00 73.03 C ATOM 2036 ND1 HIS A 125 11.862 -11.273 21.204 1.00 14.23 N ATOM 2037 CD2 HIS A 125 13.791 -12.135 21.738 1.00 41.24 C ATOM 2038 CE1 HIS A 125 12.570 -10.322 21.770 1.00 10.34 C ATOM 2039 NE2 HIS A 125 13.742 -10.819 22.106 1.00 3.54 N ATOM 2040 OXT HIS A 125 12.902 -16.069 17.933 1.00 36.68 O ATOM 0 H HIS A 125 10.937 -13.411 17.909 1.00 4.53 H new ATOM 0 HA HIS A 125 13.597 -13.871 19.125 1.00 43.44 H new ATOM 0 HB2 HIS A 125 10.986 -13.703 20.649 1.00 10.32 H new ATOM 0 HB3 HIS A 125 12.405 -14.543 21.240 1.00 10.32 H new ATOM 0 HD2 HIS A 125 14.624 -12.809 21.876 1.00 41.24 H new ATOM 0 HE1 HIS A 125 12.246 -9.305 21.932 1.00 10.34 H new ATOM 0 HE2 HIS A 125 14.493 -10.305 22.567 1.00 3.54 H new TER 2049 HIS A 125