USER MOD reduce.3.24.130724 H: found=0, std=0, add=893, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 893 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 75 ASN :FLIP amide:sc= -0.505 F(o=-1.1,f=-0.2) USER MOD Set 1.2: A 102 SER OG : rot 102:sc= 0.305 USER MOD Set 2.1: A 69 ASN : amide:sc= -0.564 K(o=-3.1,f=-3.9) USER MOD Set 2.2: A 100 MET CE :methyl -174:sc= -2.53! (180deg=-2.73!) USER MOD Set 3.1: A 65 SER OG : rot 154:sc= 0 USER MOD Set 3.2: A 97 SER OG : rot 180:sc= 0.59 USER MOD Set 4.1: A 25 GLN :FLIP amide:sc= -0.151 F(o=-1.5,f=-0.91) USER MOD Set 4.2: A 37 CYS SG : rot -90:sc= -0.759 USER MOD Set 5.1: A 21 THR OG1 : rot 74:sc= 0.212 USER MOD Set 5.2: A 41 SER OG : rot 160:sc= 0.0341 USER MOD Single : A 1 SER N :NH3+ 149:sc=0.000232 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 HIS : no HD1:sc=-0.00755 X(o=-0.0075,f=-0.0075) USER MOD Single : A 3 MET CE :methyl -144:sc= 0 (180deg=-1.58!) USER MOD Single : A 8 THR OG1 : rot 29:sc= 0.196 USER MOD Single : A 9 CYS SG : rot 180:sc= -0.535 USER MOD Single : A 14 ASN : amide:sc= -0.0061 X(o=-0.0061,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 170:sc= -0.0212 (180deg=-0.15) USER MOD Single : A 16 CYS SG : rot 74:sc= 0.172 USER MOD Single : A 19 MET CE :methyl -164:sc= -0.959 (180deg=-1.57) USER MOD Single : A 26 THR OG1 : rot -130:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 HIS : no HE2:sc= 0.306 K(o=0.31,f=-1.1) USER MOD Single : A 43 GLN : amide:sc= -0.205 X(o=-0.21,f=-0.072) USER MOD Single : A 47 CYS SG : rot 85:sc= 1.21 USER MOD Single : A 54 ASN : amide:sc= -0.621 K(o=-0.62,f=-4.5!) USER MOD Single : A 55 THR OG1 : rot -20:sc= 0.865 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 30:sc= -0.135 USER MOD Single : A 60 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0204) USER MOD Single : A 61 ASN : amide:sc= -0.229 K(o=-0.23,f=-2.8!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc=-0.00156 K(o=-0.0016,f=-0.53) USER MOD Single : A 84 CYS SG : rot -8:sc= -0.915! USER MOD Single : A 88 THR OG1 : rot 170:sc= -0.813 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 91 GLN : amide:sc= -0.256 X(o=-0.26,f=-0.28) USER MOD Single : A 95 MET CE :methyl -178:sc= -0.505 (180deg=-0.527) USER MOD Single : A 96 THR OG1 : rot 123:sc= -0.121 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ -168:sc=-0.00769 (180deg=-0.148) USER MOD Single : A 112 MET CE :methyl 175:sc= 0 (180deg=-0.0397) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -7.098 3.035 14.841 1.00 43.14 N ATOM 2 CA SER A 1 -6.816 4.332 14.159 1.00 40.35 C ATOM 3 C SER A 1 -8.107 4.935 13.564 1.00 71.12 C ATOM 4 O SER A 1 -8.750 4.308 12.715 1.00 1.35 O ATOM 5 CB SER A 1 -5.761 4.130 13.043 1.00 63.24 C ATOM 6 OG SER A 1 -4.554 3.592 13.570 1.00 31.24 O ATOM 0 H1 SER A 1 -6.266 2.416 14.767 1.00 43.14 H new ATOM 0 H2 SER A 1 -7.311 3.209 15.844 1.00 43.14 H new ATOM 0 H3 SER A 1 -7.914 2.575 14.388 1.00 43.14 H new ATOM 0 HA SER A 1 -6.423 5.028 14.900 1.00 40.35 H new ATOM 0 HB2 SER A 1 -6.158 3.461 12.280 1.00 63.24 H new ATOM 0 HB3 SER A 1 -5.556 5.083 12.556 1.00 63.24 H new ATOM 0 HG SER A 1 -3.905 3.472 12.845 1.00 31.24 H new ATOM 14 N HIS A 2 -8.476 6.152 14.010 1.00 71.23 N ATOM 15 CA HIS A 2 -9.656 6.878 13.497 1.00 31.30 C ATOM 16 C HIS A 2 -9.313 8.377 13.344 1.00 51.54 C ATOM 17 O HIS A 2 -9.964 9.262 13.923 1.00 4.54 O ATOM 18 CB HIS A 2 -10.886 6.637 14.424 1.00 45.33 C ATOM 19 CG HIS A 2 -12.198 7.147 13.868 1.00 53.44 C ATOM 20 ND1 HIS A 2 -12.918 8.178 14.438 1.00 41.44 N ATOM 21 CD2 HIS A 2 -12.917 6.758 12.786 1.00 62.43 C ATOM 22 CE1 HIS A 2 -14.006 8.397 13.735 1.00 21.34 C ATOM 23 NE2 HIS A 2 -14.034 7.553 12.729 1.00 32.51 N ATOM 0 H HIS A 2 -7.966 6.659 14.734 1.00 71.23 H new ATOM 0 HA HIS A 2 -9.927 6.499 12.512 1.00 31.30 H new ATOM 0 HB2 HIS A 2 -10.978 5.568 14.615 1.00 45.33 H new ATOM 0 HB3 HIS A 2 -10.701 7.118 15.385 1.00 45.33 H new ATOM 0 HD2 HIS A 2 -12.658 5.968 12.096 1.00 62.43 H new ATOM 0 HE1 HIS A 2 -14.753 9.147 13.949 1.00 21.34 H new ATOM 0 HE2 HIS A 2 -14.766 7.498 12.021 1.00 32.51 H new ATOM 32 N MET A 3 -8.242 8.647 12.580 1.00 33.34 N ATOM 33 CA MET A 3 -7.848 10.013 12.203 1.00 31.21 C ATOM 34 C MET A 3 -8.737 10.508 11.029 1.00 44.11 C ATOM 35 O MET A 3 -9.014 9.726 10.106 1.00 13.12 O ATOM 36 CB MET A 3 -6.350 10.063 11.798 1.00 23.51 C ATOM 37 CG MET A 3 -5.350 9.581 12.866 1.00 22.22 C ATOM 38 SD MET A 3 -5.486 7.815 13.235 1.00 40.01 S ATOM 39 CE MET A 3 -4.069 7.563 14.310 1.00 74.04 C ATOM 0 H MET A 3 -7.626 7.925 12.207 1.00 33.34 H new ATOM 0 HA MET A 3 -7.989 10.667 13.063 1.00 31.21 H new ATOM 0 HB2 MET A 3 -6.215 9.458 10.902 1.00 23.51 H new ATOM 0 HB3 MET A 3 -6.100 11.089 11.530 1.00 23.51 H new ATOM 0 HG2 MET A 3 -4.337 9.797 12.527 1.00 22.22 H new ATOM 0 HG3 MET A 3 -5.507 10.149 13.783 1.00 22.22 H new ATOM 0 HE1 MET A 3 -3.637 6.581 14.118 1.00 74.04 H new ATOM 0 HE2 MET A 3 -3.322 8.332 14.114 1.00 74.04 H new ATOM 0 HE3 MET A 3 -4.387 7.623 15.351 1.00 74.04 H new ATOM 49 N PRO A 4 -9.232 11.792 11.055 1.00 33.42 N ATOM 50 CA PRO A 4 -9.977 12.380 9.914 1.00 41.45 C ATOM 51 C PRO A 4 -9.121 12.398 8.618 1.00 34.41 C ATOM 52 O PRO A 4 -8.068 13.054 8.583 1.00 63.31 O ATOM 53 CB PRO A 4 -10.308 13.827 10.395 1.00 32.54 C ATOM 54 CG PRO A 4 -10.225 13.752 11.893 1.00 22.35 C ATOM 55 CD PRO A 4 -9.129 12.751 12.188 1.00 41.30 C ATOM 0 HA PRO A 4 -10.867 11.806 9.657 1.00 41.45 H new ATOM 0 HB2 PRO A 4 -9.599 14.551 9.994 1.00 32.54 H new ATOM 0 HB3 PRO A 4 -11.300 14.137 10.067 1.00 32.54 H new ATOM 0 HG2 PRO A 4 -9.992 14.726 12.322 1.00 22.35 H new ATOM 0 HG3 PRO A 4 -11.174 13.433 12.323 1.00 22.35 H new ATOM 0 HD2 PRO A 4 -8.149 13.226 12.226 1.00 41.30 H new ATOM 0 HD3 PRO A 4 -9.281 12.258 13.148 1.00 41.30 H new ATOM 63 N VAL A 5 -9.561 11.644 7.580 1.00 12.22 N ATOM 64 CA VAL A 5 -8.840 11.549 6.286 1.00 24.42 C ATOM 65 C VAL A 5 -8.699 12.950 5.605 1.00 43.34 C ATOM 66 O VAL A 5 -9.633 13.760 5.643 1.00 33.44 O ATOM 67 CB VAL A 5 -9.511 10.500 5.311 1.00 34.42 C ATOM 68 CG1 VAL A 5 -9.458 9.075 5.917 1.00 52.22 C ATOM 69 CG2 VAL A 5 -10.963 10.897 4.933 1.00 44.22 C ATOM 0 H VAL A 5 -10.417 11.090 7.615 1.00 12.22 H new ATOM 0 HA VAL A 5 -7.836 11.186 6.507 1.00 24.42 H new ATOM 0 HB VAL A 5 -8.934 10.501 4.386 1.00 34.42 H new ATOM 0 HG11 VAL A 5 -9.925 8.370 5.230 1.00 52.22 H new ATOM 0 HG12 VAL A 5 -8.419 8.788 6.081 1.00 52.22 H new ATOM 0 HG13 VAL A 5 -9.992 9.064 6.867 1.00 52.22 H new ATOM 0 HG21 VAL A 5 -11.382 10.147 4.262 1.00 44.22 H new ATOM 0 HG22 VAL A 5 -11.571 10.957 5.836 1.00 44.22 H new ATOM 0 HG23 VAL A 5 -10.957 11.866 4.435 1.00 44.22 H new ATOM 79 N PRO A 6 -7.511 13.259 5.000 1.00 2.23 N ATOM 80 CA PRO A 6 -7.150 14.639 4.553 1.00 12.40 C ATOM 81 C PRO A 6 -8.016 15.204 3.404 1.00 74.44 C ATOM 82 O PRO A 6 -8.705 14.470 2.690 1.00 61.54 O ATOM 83 CB PRO A 6 -5.668 14.493 4.097 1.00 24.11 C ATOM 84 CG PRO A 6 -5.214 13.199 4.699 1.00 20.11 C ATOM 85 CD PRO A 6 -6.419 12.308 4.691 1.00 5.32 C ATOM 0 HA PRO A 6 -7.314 15.353 5.360 1.00 12.40 H new ATOM 0 HB2 PRO A 6 -5.588 14.475 3.010 1.00 24.11 H new ATOM 0 HB3 PRO A 6 -5.061 15.328 4.447 1.00 24.11 H new ATOM 0 HG2 PRO A 6 -4.399 12.762 4.121 1.00 20.11 H new ATOM 0 HG3 PRO A 6 -4.842 13.347 5.713 1.00 20.11 H new ATOM 0 HD2 PRO A 6 -6.561 11.824 3.725 1.00 5.32 H new ATOM 0 HD3 PRO A 6 -6.345 11.516 5.436 1.00 5.32 H new ATOM 93 N VAL A 7 -7.946 16.535 3.248 1.00 33.34 N ATOM 94 CA VAL A 7 -8.570 17.271 2.131 1.00 50.34 C ATOM 95 C VAL A 7 -7.857 16.963 0.785 1.00 52.32 C ATOM 96 O VAL A 7 -6.655 16.640 0.754 1.00 1.21 O ATOM 97 CB VAL A 7 -8.559 18.823 2.423 1.00 22.42 C ATOM 98 CG1 VAL A 7 -9.467 19.169 3.632 1.00 1.32 C ATOM 99 CG2 VAL A 7 -7.112 19.338 2.652 1.00 32.32 C ATOM 0 H VAL A 7 -7.449 17.141 3.901 1.00 33.34 H new ATOM 0 HA VAL A 7 -9.604 16.938 2.043 1.00 50.34 H new ATOM 0 HB VAL A 7 -8.961 19.329 1.545 1.00 22.42 H new ATOM 0 HG11 VAL A 7 -9.441 20.244 3.811 1.00 1.32 H new ATOM 0 HG12 VAL A 7 -10.491 18.862 3.418 1.00 1.32 H new ATOM 0 HG13 VAL A 7 -9.109 18.645 4.518 1.00 1.32 H new ATOM 0 HG21 VAL A 7 -7.134 20.409 2.851 1.00 32.32 H new ATOM 0 HG22 VAL A 7 -6.672 18.820 3.504 1.00 32.32 H new ATOM 0 HG23 VAL A 7 -6.513 19.147 1.762 1.00 32.32 H new ATOM 109 N THR A 8 -8.610 17.041 -0.321 1.00 64.21 N ATOM 110 CA THR A 8 -8.088 16.743 -1.672 1.00 40.14 C ATOM 111 C THR A 8 -7.122 17.853 -2.156 1.00 62.15 C ATOM 112 O THR A 8 -7.505 19.024 -2.250 1.00 21.33 O ATOM 113 CB THR A 8 -9.254 16.577 -2.707 1.00 45.01 C ATOM 114 OG1 THR A 8 -10.090 17.750 -2.698 1.00 73.12 O ATOM 115 CG2 THR A 8 -10.112 15.334 -2.409 1.00 4.05 C ATOM 0 H THR A 8 -9.594 17.311 -0.310 1.00 64.21 H new ATOM 0 HA THR A 8 -7.540 15.803 -1.604 1.00 40.14 H new ATOM 0 HB THR A 8 -8.803 16.448 -3.691 1.00 45.01 H new ATOM 0 HG1 THR A 8 -9.556 18.530 -2.440 1.00 73.12 H new ATOM 0 HG21 THR A 8 -10.908 15.256 -3.149 1.00 4.05 H new ATOM 0 HG22 THR A 8 -9.487 14.442 -2.452 1.00 4.05 H new ATOM 0 HG23 THR A 8 -10.549 15.423 -1.414 1.00 4.05 H new ATOM 123 N CYS A 9 -5.854 17.476 -2.419 1.00 60.23 N ATOM 124 CA CYS A 9 -4.862 18.389 -3.035 1.00 64.44 C ATOM 125 C CYS A 9 -5.136 18.545 -4.547 1.00 33.41 C ATOM 126 O CYS A 9 -5.835 17.712 -5.145 1.00 13.20 O ATOM 127 CB CYS A 9 -3.434 17.864 -2.797 1.00 72.43 C ATOM 128 SG CYS A 9 -3.028 17.575 -1.057 1.00 33.21 S ATOM 0 H CYS A 9 -5.490 16.545 -2.215 1.00 60.23 H new ATOM 0 HA CYS A 9 -4.954 19.369 -2.567 1.00 64.44 H new ATOM 0 HB2 CYS A 9 -3.305 16.932 -3.348 1.00 72.43 H new ATOM 0 HB3 CYS A 9 -2.723 18.579 -3.210 1.00 72.43 H new ATOM 0 HG CYS A 9 -1.809 17.133 -0.963 1.00 33.21 H new ATOM 134 N ASP A 10 -4.550 19.594 -5.150 1.00 32.34 N ATOM 135 CA ASP A 10 -4.816 19.996 -6.553 1.00 44.24 C ATOM 136 C ASP A 10 -4.375 18.901 -7.574 1.00 43.33 C ATOM 137 O ASP A 10 -3.223 18.891 -8.035 1.00 2.23 O ATOM 138 CB ASP A 10 -4.120 21.351 -6.850 1.00 25.25 C ATOM 139 CG ASP A 10 -4.548 22.463 -5.870 1.00 52.42 C ATOM 140 OD1 ASP A 10 -3.999 22.512 -4.744 1.00 0.04 O ATOM 141 OD2 ASP A 10 -5.426 23.287 -6.214 1.00 12.13 O ATOM 0 H ASP A 10 -3.873 20.194 -4.679 1.00 32.34 H new ATOM 0 HA ASP A 10 -5.893 20.114 -6.672 1.00 44.24 H new ATOM 0 HB2 ASP A 10 -3.039 21.220 -6.796 1.00 25.25 H new ATOM 0 HB3 ASP A 10 -4.353 21.660 -7.869 1.00 25.25 H new ATOM 146 N ALA A 11 -5.315 17.959 -7.841 1.00 72.33 N ATOM 147 CA ALA A 11 -5.184 16.818 -8.794 1.00 51.14 C ATOM 148 C ALA A 11 -4.266 15.667 -8.293 1.00 14.14 C ATOM 149 O ALA A 11 -4.653 14.498 -8.366 1.00 12.24 O ATOM 150 CB ALA A 11 -4.767 17.298 -10.198 1.00 50.01 C ATOM 0 H ALA A 11 -6.225 17.971 -7.380 1.00 72.33 H new ATOM 0 HA ALA A 11 -6.182 16.384 -8.858 1.00 51.14 H new ATOM 0 HB1 ALA A 11 -4.681 16.440 -10.865 1.00 50.01 H new ATOM 0 HB2 ALA A 11 -5.519 17.986 -10.586 1.00 50.01 H new ATOM 0 HB3 ALA A 11 -3.806 17.808 -10.138 1.00 50.01 H new ATOM 156 N VAL A 12 -3.068 16.008 -7.781 1.00 13.43 N ATOM 157 CA VAL A 12 -2.009 15.029 -7.423 1.00 52.22 C ATOM 158 C VAL A 12 -2.463 13.976 -6.375 1.00 13.12 C ATOM 159 O VAL A 12 -2.510 12.782 -6.680 1.00 72.22 O ATOM 160 CB VAL A 12 -0.717 15.765 -6.889 1.00 4.21 C ATOM 161 CG1 VAL A 12 0.376 14.763 -6.427 1.00 42.51 C ATOM 162 CG2 VAL A 12 -0.158 16.745 -7.954 1.00 71.11 C ATOM 0 H VAL A 12 -2.800 16.976 -7.601 1.00 13.43 H new ATOM 0 HA VAL A 12 -1.785 14.494 -8.346 1.00 52.22 H new ATOM 0 HB VAL A 12 -1.014 16.342 -6.013 1.00 4.21 H new ATOM 0 HG11 VAL A 12 1.246 15.313 -6.068 1.00 42.51 H new ATOM 0 HG12 VAL A 12 -0.017 14.141 -5.623 1.00 42.51 H new ATOM 0 HG13 VAL A 12 0.668 14.131 -7.265 1.00 42.51 H new ATOM 0 HG21 VAL A 12 0.731 17.239 -7.563 1.00 71.11 H new ATOM 0 HG22 VAL A 12 0.102 16.192 -8.857 1.00 71.11 H new ATOM 0 HG23 VAL A 12 -0.914 17.493 -8.192 1.00 71.11 H new ATOM 172 N ARG A 13 -2.816 14.429 -5.154 1.00 52.13 N ATOM 173 CA ARG A 13 -3.101 13.513 -4.018 1.00 34.42 C ATOM 174 C ARG A 13 -4.424 12.740 -4.226 1.00 64.14 C ATOM 175 O ARG A 13 -4.566 11.613 -3.749 1.00 40.30 O ATOM 176 CB ARG A 13 -3.135 14.281 -2.669 1.00 22.22 C ATOM 177 CG ARG A 13 -2.972 13.381 -1.420 1.00 34.15 C ATOM 178 CD ARG A 13 -3.309 14.091 -0.092 1.00 42.01 C ATOM 179 NE ARG A 13 -4.760 14.333 0.074 1.00 23.01 N ATOM 180 CZ ARG A 13 -5.665 13.398 0.334 1.00 14.05 C ATOM 181 NH1 ARG A 13 -5.344 12.150 0.448 1.00 1.42 N ATOM 182 NH2 ARG A 13 -6.900 13.725 0.493 1.00 14.33 N ATOM 0 H ARG A 13 -2.912 15.418 -4.925 1.00 52.13 H new ATOM 0 HA ARG A 13 -2.287 12.788 -3.983 1.00 34.42 H new ATOM 0 HB2 ARG A 13 -2.342 15.029 -2.670 1.00 22.22 H new ATOM 0 HB3 ARG A 13 -4.080 14.819 -2.594 1.00 22.22 H new ATOM 0 HG2 ARG A 13 -3.615 12.507 -1.527 1.00 34.15 H new ATOM 0 HG3 ARG A 13 -1.945 13.018 -1.377 1.00 34.15 H new ATOM 0 HD2 ARG A 13 -2.948 13.487 0.740 1.00 42.01 H new ATOM 0 HD3 ARG A 13 -2.779 15.042 -0.049 1.00 42.01 H new ATOM 0 HE ARG A 13 -5.090 15.294 -0.019 1.00 23.01 H new ATOM 0 HH11 ARG A 13 -4.372 11.861 0.338 1.00 1.42 H new ATOM 0 HH12 ARG A 13 -6.063 11.455 0.648 1.00 1.42 H new ATOM 0 HH21 ARG A 13 -7.182 14.702 0.419 1.00 14.33 H new ATOM 0 HH22 ARG A 13 -7.596 13.007 0.693 1.00 14.33 H new ATOM 196 N ASN A 14 -5.386 13.372 -4.937 1.00 3.14 N ATOM 197 CA ASN A 14 -6.680 12.735 -5.280 1.00 44.30 C ATOM 198 C ASN A 14 -6.456 11.563 -6.266 1.00 1.44 C ATOM 199 O ASN A 14 -7.008 10.477 -6.081 1.00 3.14 O ATOM 200 CB ASN A 14 -7.655 13.785 -5.878 1.00 3.35 C ATOM 201 CG ASN A 14 -9.033 13.203 -6.247 1.00 62.24 C ATOM 202 OD1 ASN A 14 -9.274 12.796 -7.381 1.00 42.52 O ATOM 203 ND2 ASN A 14 -9.937 13.133 -5.288 1.00 34.45 N ATOM 0 H ASN A 14 -5.290 14.326 -5.286 1.00 3.14 H new ATOM 0 HA ASN A 14 -7.128 12.334 -4.371 1.00 44.30 H new ATOM 0 HB2 ASN A 14 -7.791 14.593 -5.160 1.00 3.35 H new ATOM 0 HB3 ASN A 14 -7.204 14.223 -6.769 1.00 3.35 H new ATOM 0 HD21 ASN A 14 -10.856 12.735 -5.482 1.00 34.45 H new ATOM 0 HD22 ASN A 14 -9.717 13.477 -4.353 1.00 34.45 H new ATOM 210 N LYS A 15 -5.617 11.803 -7.295 1.00 74.33 N ATOM 211 CA LYS A 15 -5.227 10.769 -8.281 1.00 51.15 C ATOM 212 C LYS A 15 -4.492 9.594 -7.599 1.00 33.24 C ATOM 213 O LYS A 15 -4.803 8.429 -7.845 1.00 10.13 O ATOM 214 CB LYS A 15 -4.332 11.379 -9.388 1.00 34.14 C ATOM 215 CG LYS A 15 -3.934 10.379 -10.500 1.00 13.32 C ATOM 216 CD LYS A 15 -3.098 11.026 -11.620 1.00 44.22 C ATOM 217 CE LYS A 15 -2.763 10.040 -12.757 1.00 22.21 C ATOM 218 NZ LYS A 15 -3.988 9.496 -13.407 1.00 71.10 N ATOM 0 H LYS A 15 -5.192 12.714 -7.467 1.00 74.33 H new ATOM 0 HA LYS A 15 -6.141 10.386 -8.735 1.00 51.15 H new ATOM 0 HB2 LYS A 15 -4.856 12.221 -9.841 1.00 34.14 H new ATOM 0 HB3 LYS A 15 -3.426 11.776 -8.930 1.00 34.14 H new ATOM 0 HG2 LYS A 15 -3.367 9.560 -10.058 1.00 13.32 H new ATOM 0 HG3 LYS A 15 -4.836 9.946 -10.932 1.00 13.32 H new ATOM 0 HD2 LYS A 15 -3.643 11.876 -12.030 1.00 44.22 H new ATOM 0 HD3 LYS A 15 -2.172 11.416 -11.198 1.00 44.22 H new ATOM 0 HE2 LYS A 15 -2.150 10.544 -13.504 1.00 22.21 H new ATOM 0 HE3 LYS A 15 -2.169 9.217 -12.359 1.00 22.21 H new ATOM 0 HZ1 LYS A 15 -3.722 8.975 -14.267 1.00 71.10 H new ATOM 0 HZ2 LYS A 15 -4.474 8.854 -12.749 1.00 71.10 H new ATOM 0 HZ3 LYS A 15 -4.624 10.279 -13.659 1.00 71.10 H new ATOM 232 N CYS A 16 -3.515 9.934 -6.739 1.00 33.44 N ATOM 233 CA CYS A 16 -2.721 8.951 -5.968 1.00 34.20 C ATOM 234 C CYS A 16 -3.616 8.078 -5.059 1.00 15.11 C ATOM 235 O CYS A 16 -3.401 6.880 -4.951 1.00 12.05 O ATOM 236 CB CYS A 16 -1.652 9.677 -5.120 1.00 21.10 C ATOM 237 SG CYS A 16 -0.478 10.667 -6.086 1.00 31.32 S ATOM 0 H CYS A 16 -3.250 10.902 -6.556 1.00 33.44 H new ATOM 0 HA CYS A 16 -2.229 8.291 -6.683 1.00 34.20 H new ATOM 0 HB2 CYS A 16 -2.154 10.327 -4.403 1.00 21.10 H new ATOM 0 HB3 CYS A 16 -1.097 8.936 -4.544 1.00 21.10 H new ATOM 0 HG CYS A 16 -1.066 11.746 -6.511 1.00 31.32 H new ATOM 243 N ARG A 17 -4.630 8.709 -4.436 1.00 44.32 N ATOM 244 CA ARG A 17 -5.596 8.033 -3.527 1.00 0.41 C ATOM 245 C ARG A 17 -6.412 6.963 -4.311 1.00 54.55 C ATOM 246 O ARG A 17 -6.553 5.812 -3.863 1.00 54.33 O ATOM 247 CB ARG A 17 -6.532 9.120 -2.893 1.00 70.35 C ATOM 248 CG ARG A 17 -7.150 8.793 -1.506 1.00 44.33 C ATOM 249 CD ARG A 17 -8.152 7.624 -1.501 1.00 43.45 C ATOM 250 NE ARG A 17 -8.814 7.487 -0.198 1.00 43.23 N ATOM 251 CZ ARG A 17 -9.660 6.547 0.152 1.00 21.53 C ATOM 252 NH1 ARG A 17 -10.003 5.590 -0.663 1.00 33.31 N ATOM 253 NH2 ARG A 17 -10.172 6.588 1.336 1.00 73.21 N ATOM 0 H ARG A 17 -4.809 9.707 -4.545 1.00 44.32 H new ATOM 0 HA ARG A 17 -5.065 7.515 -2.728 1.00 0.41 H new ATOM 0 HB2 ARG A 17 -5.963 10.045 -2.801 1.00 70.35 H new ATOM 0 HB3 ARG A 17 -7.347 9.314 -3.590 1.00 70.35 H new ATOM 0 HG2 ARG A 17 -6.343 8.563 -0.810 1.00 44.33 H new ATOM 0 HG3 ARG A 17 -7.652 9.684 -1.129 1.00 44.33 H new ATOM 0 HD2 ARG A 17 -8.902 7.783 -2.276 1.00 43.45 H new ATOM 0 HD3 ARG A 17 -7.633 6.697 -1.745 1.00 43.45 H new ATOM 0 HE ARG A 17 -8.595 8.193 0.505 1.00 43.23 H new ATOM 0 HH11 ARG A 17 -9.611 5.557 -1.604 1.00 33.31 H new ATOM 0 HH12 ARG A 17 -10.663 4.874 -0.360 1.00 33.31 H new ATOM 0 HH21 ARG A 17 -9.917 7.340 1.976 1.00 73.21 H new ATOM 0 HH22 ARG A 17 -10.832 5.869 1.631 1.00 73.21 H new ATOM 267 N GLU A 18 -6.930 7.379 -5.485 1.00 12.02 N ATOM 268 CA GLU A 18 -7.643 6.494 -6.436 1.00 3.24 C ATOM 269 C GLU A 18 -6.766 5.284 -6.853 1.00 22.34 C ATOM 270 O GLU A 18 -7.225 4.141 -6.855 1.00 53.42 O ATOM 271 CB GLU A 18 -8.059 7.308 -7.703 1.00 12.43 C ATOM 272 CG GLU A 18 -9.072 8.454 -7.461 1.00 33.10 C ATOM 273 CD GLU A 18 -10.511 7.974 -7.217 1.00 42.10 C ATOM 274 OE1 GLU A 18 -10.861 7.646 -6.066 1.00 30.43 O ATOM 275 OE2 GLU A 18 -11.300 7.904 -8.191 1.00 24.13 O ATOM 0 H GLU A 18 -6.866 8.346 -5.804 1.00 12.02 H new ATOM 0 HA GLU A 18 -8.532 6.108 -5.937 1.00 3.24 H new ATOM 0 HB2 GLU A 18 -7.160 7.731 -8.152 1.00 12.43 H new ATOM 0 HB3 GLU A 18 -8.485 6.619 -8.432 1.00 12.43 H new ATOM 0 HG2 GLU A 18 -8.744 9.039 -6.602 1.00 33.10 H new ATOM 0 HG3 GLU A 18 -9.063 9.121 -8.323 1.00 33.10 H new ATOM 282 N MET A 19 -5.490 5.568 -7.182 1.00 14.52 N ATOM 283 CA MET A 19 -4.522 4.560 -7.669 1.00 62.05 C ATOM 284 C MET A 19 -4.002 3.615 -6.546 1.00 44.53 C ATOM 285 O MET A 19 -3.599 2.489 -6.839 1.00 34.34 O ATOM 286 CB MET A 19 -3.351 5.245 -8.411 1.00 61.43 C ATOM 287 CG MET A 19 -3.748 6.025 -9.679 1.00 42.34 C ATOM 288 SD MET A 19 -2.327 6.690 -10.585 1.00 53.41 S ATOM 289 CE MET A 19 -1.493 7.679 -9.338 1.00 55.03 C ATOM 0 H MET A 19 -5.098 6.508 -7.118 1.00 14.52 H new ATOM 0 HA MET A 19 -5.060 3.923 -8.371 1.00 62.05 H new ATOM 0 HB2 MET A 19 -2.856 5.929 -7.722 1.00 61.43 H new ATOM 0 HB3 MET A 19 -2.620 4.484 -8.685 1.00 61.43 H new ATOM 0 HG2 MET A 19 -4.316 5.368 -10.338 1.00 42.34 H new ATOM 0 HG3 MET A 19 -4.409 6.846 -9.400 1.00 42.34 H new ATOM 0 HE1 MET A 19 -0.787 8.354 -9.821 1.00 55.03 H new ATOM 0 HE2 MET A 19 -2.229 8.260 -8.783 1.00 55.03 H new ATOM 0 HE3 MET A 19 -0.956 7.023 -8.652 1.00 55.03 H new ATOM 299 N LEU A 20 -3.976 4.088 -5.278 1.00 72.44 N ATOM 300 CA LEU A 20 -3.659 3.222 -4.102 1.00 22.33 C ATOM 301 C LEU A 20 -4.749 2.140 -3.914 1.00 33.33 C ATOM 302 O LEU A 20 -4.441 0.963 -3.698 1.00 55.51 O ATOM 303 CB LEU A 20 -3.517 4.059 -2.794 1.00 63.31 C ATOM 304 CG LEU A 20 -2.265 4.994 -2.692 1.00 52.11 C ATOM 305 CD1 LEU A 20 -2.289 5.826 -1.383 1.00 53.51 C ATOM 306 CD2 LEU A 20 -0.942 4.191 -2.826 1.00 3.34 C ATOM 0 H LEU A 20 -4.169 5.060 -5.036 1.00 72.44 H new ATOM 0 HA LEU A 20 -2.703 2.739 -4.303 1.00 22.33 H new ATOM 0 HB2 LEU A 20 -4.411 4.673 -2.684 1.00 63.31 H new ATOM 0 HB3 LEU A 20 -3.498 3.370 -1.949 1.00 63.31 H new ATOM 0 HG LEU A 20 -2.309 5.692 -3.528 1.00 52.11 H new ATOM 0 HD11 LEU A 20 -1.407 6.465 -1.342 1.00 53.51 H new ATOM 0 HD12 LEU A 20 -3.186 6.444 -1.361 1.00 53.51 H new ATOM 0 HD13 LEU A 20 -2.291 5.154 -0.525 1.00 53.51 H new ATOM 0 HD21 LEU A 20 -0.094 4.872 -2.751 1.00 3.34 H new ATOM 0 HD22 LEU A 20 -0.884 3.449 -2.029 1.00 3.34 H new ATOM 0 HD23 LEU A 20 -0.918 3.688 -3.792 1.00 3.34 H new ATOM 318 N THR A 21 -6.025 2.571 -4.006 1.00 41.40 N ATOM 319 CA THR A 21 -7.197 1.661 -3.940 1.00 42.44 C ATOM 320 C THR A 21 -7.256 0.743 -5.191 1.00 31.51 C ATOM 321 O THR A 21 -7.674 -0.414 -5.114 1.00 42.14 O ATOM 322 CB THR A 21 -8.552 2.453 -3.823 1.00 35.54 C ATOM 323 OG1 THR A 21 -8.439 3.505 -2.848 1.00 1.02 O ATOM 324 CG2 THR A 21 -9.721 1.525 -3.419 1.00 71.33 C ATOM 0 H THR A 21 -6.275 3.552 -4.127 1.00 41.40 H new ATOM 0 HA THR A 21 -7.070 1.054 -3.043 1.00 42.44 H new ATOM 0 HB THR A 21 -8.761 2.876 -4.806 1.00 35.54 H new ATOM 0 HG1 THR A 21 -7.898 4.235 -3.216 1.00 1.02 H new ATOM 0 HG21 THR A 21 -10.640 2.107 -3.348 1.00 71.33 H new ATOM 0 HG22 THR A 21 -9.843 0.745 -4.170 1.00 71.33 H new ATOM 0 HG23 THR A 21 -9.506 1.068 -2.453 1.00 71.33 H new ATOM 332 N ALA A 22 -6.829 1.291 -6.345 1.00 63.53 N ATOM 333 CA ALA A 22 -6.752 0.553 -7.631 1.00 14.14 C ATOM 334 C ALA A 22 -5.627 -0.510 -7.617 1.00 65.14 C ATOM 335 O ALA A 22 -5.743 -1.549 -8.265 1.00 0.01 O ATOM 336 CB ALA A 22 -6.543 1.537 -8.790 1.00 42.13 C ATOM 0 H ALA A 22 -6.525 2.262 -6.417 1.00 63.53 H new ATOM 0 HA ALA A 22 -7.697 0.027 -7.771 1.00 14.14 H new ATOM 0 HB1 ALA A 22 -6.488 0.987 -9.729 1.00 42.13 H new ATOM 0 HB2 ALA A 22 -7.378 2.237 -8.828 1.00 42.13 H new ATOM 0 HB3 ALA A 22 -5.615 2.088 -8.637 1.00 42.13 H new ATOM 342 N ALA A 23 -4.544 -0.223 -6.873 1.00 53.34 N ATOM 343 CA ALA A 23 -3.430 -1.175 -6.635 1.00 31.55 C ATOM 344 C ALA A 23 -3.902 -2.385 -5.794 1.00 42.43 C ATOM 345 O ALA A 23 -3.298 -3.455 -5.830 1.00 14.30 O ATOM 346 CB ALA A 23 -2.256 -0.461 -5.956 1.00 55.12 C ATOM 0 H ALA A 23 -4.411 0.679 -6.415 1.00 53.34 H new ATOM 0 HA ALA A 23 -3.092 -1.554 -7.599 1.00 31.55 H new ATOM 0 HB1 ALA A 23 -1.446 -1.171 -5.788 1.00 55.12 H new ATOM 0 HB2 ALA A 23 -1.902 0.347 -6.596 1.00 55.12 H new ATOM 0 HB3 ALA A 23 -2.583 -0.051 -5.001 1.00 55.12 H new ATOM 352 N LEU A 24 -4.954 -2.163 -4.992 1.00 51.21 N ATOM 353 CA LEU A 24 -5.660 -3.234 -4.250 1.00 3.52 C ATOM 354 C LEU A 24 -6.624 -4.007 -5.177 1.00 32.33 C ATOM 355 O LEU A 24 -6.791 -5.224 -5.051 1.00 42.13 O ATOM 356 CB LEU A 24 -6.426 -2.611 -3.056 1.00 42.22 C ATOM 357 CG LEU A 24 -5.544 -1.747 -2.109 1.00 63.53 C ATOM 358 CD1 LEU A 24 -6.354 -1.120 -0.956 1.00 44.54 C ATOM 359 CD2 LEU A 24 -4.357 -2.568 -1.592 1.00 44.35 C ATOM 0 H LEU A 24 -5.345 -1.234 -4.835 1.00 51.21 H new ATOM 0 HA LEU A 24 -4.927 -3.947 -3.873 1.00 3.52 H new ATOM 0 HB2 LEU A 24 -7.237 -1.993 -3.442 1.00 42.22 H new ATOM 0 HB3 LEU A 24 -6.884 -3.412 -2.476 1.00 42.22 H new ATOM 0 HG LEU A 24 -5.156 -0.911 -2.691 1.00 63.53 H new ATOM 0 HD11 LEU A 24 -5.691 -0.528 -0.326 1.00 44.54 H new ATOM 0 HD12 LEU A 24 -7.134 -0.478 -1.366 1.00 44.54 H new ATOM 0 HD13 LEU A 24 -6.811 -1.910 -0.360 1.00 44.54 H new ATOM 0 HD21 LEU A 24 -3.748 -1.951 -0.931 1.00 44.35 H new ATOM 0 HD22 LEU A 24 -4.726 -3.434 -1.043 1.00 44.35 H new ATOM 0 HD23 LEU A 24 -3.752 -2.903 -2.434 1.00 44.35 H new ATOM 371 N GLN A 25 -7.244 -3.268 -6.115 1.00 13.24 N ATOM 372 CA GLN A 25 -8.175 -3.819 -7.132 1.00 22.13 C ATOM 373 C GLN A 25 -7.438 -4.287 -8.421 1.00 51.00 C ATOM 374 O GLN A 25 -8.069 -4.478 -9.467 1.00 73.53 O ATOM 375 CB GLN A 25 -9.242 -2.739 -7.474 1.00 72.42 C ATOM 376 CG GLN A 25 -10.127 -2.325 -6.280 1.00 74.40 C ATOM 377 CD GLN A 25 -11.104 -1.185 -6.600 1.00 44.54 C ATOM 378 OE1 GLN A 25 -10.673 0.047 -6.399 1.00 3.22 O flip ATOM 379 NE2 GLN A 25 -12.236 -1.409 -7.023 1.00 74.40 N flip ATOM 0 H GLN A 25 -7.115 -2.259 -6.194 1.00 13.24 H new ATOM 0 HA GLN A 25 -8.655 -4.703 -6.712 1.00 22.13 H new ATOM 0 HB2 GLN A 25 -8.736 -1.854 -7.861 1.00 72.42 H new ATOM 0 HB3 GLN A 25 -9.881 -3.116 -8.272 1.00 72.42 H new ATOM 0 HG2 GLN A 25 -10.694 -3.192 -5.941 1.00 74.40 H new ATOM 0 HG3 GLN A 25 -9.486 -2.020 -5.453 1.00 74.40 H new ATOM 0 HE21 GLN A 25 -12.545 -2.370 -7.170 1.00 74.40 H new ATOM 0 HE22 GLN A 25 -12.867 -0.634 -7.227 1.00 74.40 H new ATOM 388 N THR A 26 -6.102 -4.471 -8.332 1.00 42.42 N ATOM 389 CA THR A 26 -5.271 -5.022 -9.441 1.00 44.40 C ATOM 390 C THR A 26 -5.671 -6.483 -9.779 1.00 34.32 C ATOM 391 O THR A 26 -5.606 -6.916 -10.936 1.00 3.13 O ATOM 392 CB THR A 26 -3.741 -4.958 -9.090 1.00 1.12 C ATOM 393 OG1 THR A 26 -2.944 -5.355 -10.225 1.00 74.23 O ATOM 394 CG2 THR A 26 -3.374 -5.838 -7.872 1.00 64.45 C ATOM 0 H THR A 26 -5.565 -4.245 -7.495 1.00 42.42 H new ATOM 0 HA THR A 26 -5.457 -4.401 -10.317 1.00 44.40 H new ATOM 0 HB THR A 26 -3.525 -3.922 -8.829 1.00 1.12 H new ATOM 0 HG1 THR A 26 -2.290 -6.029 -9.946 1.00 74.23 H new ATOM 0 HG21 THR A 26 -2.305 -5.757 -7.673 1.00 64.45 H new ATOM 0 HG22 THR A 26 -3.932 -5.501 -6.998 1.00 64.45 H new ATOM 0 HG23 THR A 26 -3.625 -6.877 -8.085 1.00 64.45 H new ATOM 402 N ASP A 27 -6.101 -7.219 -8.739 1.00 31.30 N ATOM 403 CA ASP A 27 -6.580 -8.606 -8.852 1.00 71.23 C ATOM 404 C ASP A 27 -7.565 -8.895 -7.680 1.00 33.21 C ATOM 405 O ASP A 27 -7.672 -8.099 -6.732 1.00 40.11 O ATOM 406 CB ASP A 27 -5.365 -9.588 -8.856 1.00 14.02 C ATOM 407 CG ASP A 27 -5.678 -10.949 -9.505 1.00 11.22 C ATOM 408 OD1 ASP A 27 -6.152 -11.871 -8.816 1.00 74.54 O ATOM 409 OD2 ASP A 27 -5.473 -11.091 -10.732 1.00 61.53 O ATOM 0 H ASP A 27 -6.125 -6.861 -7.784 1.00 31.30 H new ATOM 0 HA ASP A 27 -7.115 -8.752 -9.791 1.00 71.23 H new ATOM 0 HB2 ASP A 27 -4.534 -9.124 -9.387 1.00 14.02 H new ATOM 0 HB3 ASP A 27 -5.036 -9.751 -7.830 1.00 14.02 H new ATOM 414 N HIS A 28 -8.270 -10.043 -7.732 1.00 44.31 N ATOM 415 CA HIS A 28 -9.331 -10.388 -6.748 1.00 75.22 C ATOM 416 C HIS A 28 -8.767 -11.068 -5.461 1.00 54.42 C ATOM 417 O HIS A 28 -9.474 -11.846 -4.815 1.00 63.22 O ATOM 418 CB HIS A 28 -10.408 -11.286 -7.433 1.00 14.13 C ATOM 419 CG HIS A 28 -11.155 -10.625 -8.567 1.00 15.32 C ATOM 420 ND1 HIS A 28 -11.909 -11.327 -9.481 1.00 71.42 N ATOM 421 CD2 HIS A 28 -11.271 -9.326 -8.921 1.00 62.01 C ATOM 422 CE1 HIS A 28 -12.441 -10.489 -10.345 1.00 33.11 C ATOM 423 NE2 HIS A 28 -12.072 -9.272 -10.025 1.00 12.13 N ATOM 0 H HIS A 28 -8.127 -10.755 -8.448 1.00 44.31 H new ATOM 0 HA HIS A 28 -9.791 -9.456 -6.418 1.00 75.22 H new ATOM 0 HB2 HIS A 28 -9.923 -12.186 -7.812 1.00 14.13 H new ATOM 0 HB3 HIS A 28 -11.128 -11.605 -6.679 1.00 14.13 H new ATOM 0 HD2 HIS A 28 -10.814 -8.485 -8.422 1.00 62.01 H new ATOM 0 HE1 HIS A 28 -13.075 -10.758 -11.177 1.00 33.11 H new ATOM 0 HE2 HIS A 28 -12.340 -8.422 -10.521 1.00 12.13 H new ATOM 432 N ASP A 29 -7.512 -10.727 -5.074 1.00 32.54 N ATOM 433 CA ASP A 29 -6.885 -11.182 -3.801 1.00 21.43 C ATOM 434 C ASP A 29 -7.677 -10.697 -2.562 1.00 34.20 C ATOM 435 O ASP A 29 -8.007 -11.492 -1.678 1.00 10.13 O ATOM 436 CB ASP A 29 -5.407 -10.701 -3.719 1.00 71.21 C ATOM 437 CG ASP A 29 -4.494 -11.403 -4.740 1.00 2.31 C ATOM 438 OD1 ASP A 29 -4.693 -11.206 -5.953 1.00 1.20 O ATOM 439 OD2 ASP A 29 -3.597 -12.180 -4.331 1.00 72.52 O ATOM 0 H ASP A 29 -6.904 -10.129 -5.634 1.00 32.54 H new ATOM 0 HA ASP A 29 -6.905 -12.272 -3.799 1.00 21.43 H new ATOM 0 HB2 ASP A 29 -5.370 -9.624 -3.886 1.00 71.21 H new ATOM 0 HB3 ASP A 29 -5.026 -10.881 -2.714 1.00 71.21 H new ATOM 444 N HIS A 30 -7.995 -9.385 -2.522 1.00 44.35 N ATOM 445 CA HIS A 30 -8.771 -8.788 -1.404 1.00 45.10 C ATOM 446 C HIS A 30 -10.228 -9.334 -1.365 1.00 41.30 C ATOM 447 O HIS A 30 -10.832 -9.430 -0.299 1.00 64.23 O ATOM 448 CB HIS A 30 -8.756 -7.233 -1.477 1.00 74.04 C ATOM 449 CG HIS A 30 -9.584 -6.619 -2.577 1.00 4.12 C ATOM 450 ND1 HIS A 30 -10.782 -5.979 -2.341 1.00 1.33 N ATOM 451 CD2 HIS A 30 -9.366 -6.508 -3.910 1.00 72.35 C ATOM 452 CE1 HIS A 30 -11.261 -5.510 -3.468 1.00 11.23 C ATOM 453 NE2 HIS A 30 -10.422 -5.812 -4.435 1.00 2.40 N ATOM 0 H HIS A 30 -7.729 -8.718 -3.246 1.00 44.35 H new ATOM 0 HA HIS A 30 -8.285 -9.084 -0.474 1.00 45.10 H new ATOM 0 HB2 HIS A 30 -9.106 -6.840 -0.522 1.00 74.04 H new ATOM 0 HB3 HIS A 30 -7.724 -6.904 -1.598 1.00 74.04 H new ATOM 0 HD1 HIS A 30 -11.228 -5.885 -1.429 1.00 1.33 H new ATOM 0 HD2 HIS A 30 -8.519 -6.896 -4.456 1.00 72.35 H new ATOM 0 HE1 HIS A 30 -12.188 -4.967 -3.583 1.00 11.23 H new ATOM 462 N VAL A 31 -10.759 -9.709 -2.552 1.00 34.34 N ATOM 463 CA VAL A 31 -12.113 -10.304 -2.699 1.00 13.33 C ATOM 464 C VAL A 31 -12.128 -11.777 -2.197 1.00 42.22 C ATOM 465 O VAL A 31 -13.094 -12.225 -1.571 1.00 52.51 O ATOM 466 CB VAL A 31 -12.593 -10.242 -4.201 1.00 25.23 C ATOM 467 CG1 VAL A 31 -14.040 -10.765 -4.374 1.00 31.12 C ATOM 468 CG2 VAL A 31 -12.452 -8.808 -4.773 1.00 10.04 C ATOM 0 H VAL A 31 -10.262 -9.608 -3.437 1.00 34.34 H new ATOM 0 HA VAL A 31 -12.801 -9.720 -2.088 1.00 13.33 H new ATOM 0 HB VAL A 31 -11.941 -10.904 -4.770 1.00 25.23 H new ATOM 0 HG11 VAL A 31 -14.326 -10.703 -5.424 1.00 31.12 H new ATOM 0 HG12 VAL A 31 -14.094 -11.802 -4.044 1.00 31.12 H new ATOM 0 HG13 VAL A 31 -14.720 -10.158 -3.776 1.00 31.12 H new ATOM 0 HG21 VAL A 31 -12.790 -8.795 -5.809 1.00 10.04 H new ATOM 0 HG22 VAL A 31 -13.059 -8.120 -4.184 1.00 10.04 H new ATOM 0 HG23 VAL A 31 -11.408 -8.499 -4.728 1.00 10.04 H new ATOM 478 N ALA A 32 -11.028 -12.504 -2.476 1.00 30.34 N ATOM 479 CA ALA A 32 -10.832 -13.911 -2.047 1.00 2.52 C ATOM 480 C ALA A 32 -10.735 -14.027 -0.506 1.00 2.31 C ATOM 481 O ALA A 32 -11.204 -15.001 0.088 1.00 23.42 O ATOM 482 CB ALA A 32 -9.570 -14.492 -2.711 1.00 24.33 C ATOM 0 H ALA A 32 -10.242 -12.132 -3.009 1.00 30.34 H new ATOM 0 HA ALA A 32 -11.702 -14.486 -2.366 1.00 2.52 H new ATOM 0 HB1 ALA A 32 -9.433 -15.525 -2.391 1.00 24.33 H new ATOM 0 HB2 ALA A 32 -9.681 -14.460 -3.795 1.00 24.33 H new ATOM 0 HB3 ALA A 32 -8.701 -13.903 -2.418 1.00 24.33 H new ATOM 488 N ILE A 33 -10.103 -13.016 0.112 1.00 45.10 N ATOM 489 CA ILE A 33 -10.003 -12.884 1.582 1.00 52.41 C ATOM 490 C ILE A 33 -11.314 -12.273 2.176 1.00 75.34 C ATOM 491 O ILE A 33 -11.653 -12.511 3.341 1.00 32.44 O ATOM 492 CB ILE A 33 -8.739 -12.002 1.944 1.00 2.42 C ATOM 493 CG1 ILE A 33 -7.444 -12.665 1.348 1.00 1.34 C ATOM 494 CG2 ILE A 33 -8.593 -11.782 3.474 1.00 42.24 C ATOM 495 CD1 ILE A 33 -6.166 -11.848 1.478 1.00 14.20 C ATOM 0 H ILE A 33 -9.642 -12.260 -0.394 1.00 45.10 H new ATOM 0 HA ILE A 33 -9.879 -13.872 2.025 1.00 52.41 H new ATOM 0 HB ILE A 33 -8.879 -11.017 1.499 1.00 2.42 H new ATOM 0 HG12 ILE A 33 -7.291 -13.626 1.839 1.00 1.34 H new ATOM 0 HG13 ILE A 33 -7.616 -12.871 0.292 1.00 1.34 H new ATOM 0 HG21 ILE A 33 -7.712 -11.172 3.671 1.00 42.24 H new ATOM 0 HG22 ILE A 33 -9.479 -11.274 3.855 1.00 42.24 H new ATOM 0 HG23 ILE A 33 -8.485 -12.746 3.972 1.00 42.24 H new ATOM 0 HD11 ILE A 33 -5.336 -12.398 1.035 1.00 14.20 H new ATOM 0 HD12 ILE A 33 -6.288 -10.897 0.960 1.00 14.20 H new ATOM 0 HD13 ILE A 33 -5.958 -11.664 2.532 1.00 14.20 H new ATOM 507 N GLY A 34 -12.051 -11.496 1.352 1.00 34.02 N ATOM 508 CA GLY A 34 -13.346 -10.896 1.753 1.00 30.54 C ATOM 509 C GLY A 34 -13.245 -9.439 2.234 1.00 63.12 C ATOM 510 O GLY A 34 -14.265 -8.822 2.574 1.00 73.11 O ATOM 0 H GLY A 34 -11.770 -11.268 0.398 1.00 34.02 H new ATOM 0 HA2 GLY A 34 -14.032 -10.940 0.907 1.00 30.54 H new ATOM 0 HA3 GLY A 34 -13.782 -11.500 2.549 1.00 30.54 H new ATOM 514 N ALA A 35 -12.018 -8.889 2.263 1.00 21.12 N ATOM 515 CA ALA A 35 -11.761 -7.496 2.689 1.00 41.44 C ATOM 516 C ALA A 35 -11.924 -6.513 1.505 1.00 50.23 C ATOM 517 O ALA A 35 -11.122 -6.533 0.566 1.00 33.45 O ATOM 518 CB ALA A 35 -10.346 -7.394 3.290 1.00 52.33 C ATOM 0 H ALA A 35 -11.175 -9.395 1.992 1.00 21.12 H new ATOM 0 HA ALA A 35 -12.493 -7.221 3.448 1.00 41.44 H new ATOM 0 HB1 ALA A 35 -10.157 -6.367 3.604 1.00 52.33 H new ATOM 0 HB2 ALA A 35 -10.268 -8.057 4.152 1.00 52.33 H new ATOM 0 HB3 ALA A 35 -9.610 -7.685 2.540 1.00 52.33 H new ATOM 524 N ASP A 36 -12.975 -5.663 1.541 1.00 22.51 N ATOM 525 CA ASP A 36 -13.180 -4.619 0.511 1.00 60.31 C ATOM 526 C ASP A 36 -12.107 -3.500 0.654 1.00 22.40 C ATOM 527 O ASP A 36 -11.757 -3.079 1.757 1.00 45.51 O ATOM 528 CB ASP A 36 -14.627 -4.054 0.536 1.00 53.23 C ATOM 529 CG ASP A 36 -15.038 -3.438 1.877 1.00 43.02 C ATOM 530 OD1 ASP A 36 -15.296 -4.204 2.831 1.00 70.05 O ATOM 531 OD2 ASP A 36 -15.112 -2.196 1.990 1.00 51.00 O ATOM 0 H ASP A 36 -13.691 -5.679 2.268 1.00 22.51 H new ATOM 0 HA ASP A 36 -13.053 -5.079 -0.469 1.00 60.31 H new ATOM 0 HB2 ASP A 36 -14.723 -3.298 -0.243 1.00 53.23 H new ATOM 0 HB3 ASP A 36 -15.322 -4.856 0.289 1.00 53.23 H new ATOM 536 N CYS A 37 -11.602 -3.034 -0.494 1.00 14.03 N ATOM 537 CA CYS A 37 -10.317 -2.301 -0.602 1.00 22.31 C ATOM 538 C CYS A 37 -10.325 -0.846 -0.067 1.00 75.34 C ATOM 539 O CYS A 37 -9.265 -0.336 0.324 1.00 2.23 O ATOM 540 CB CYS A 37 -9.893 -2.305 -2.081 1.00 72.00 C ATOM 541 SG CYS A 37 -11.126 -1.605 -3.197 1.00 75.54 S ATOM 0 H CYS A 37 -12.074 -3.152 -1.391 1.00 14.03 H new ATOM 0 HA CYS A 37 -9.611 -2.825 0.042 1.00 22.31 H new ATOM 0 HB2 CYS A 37 -8.964 -1.744 -2.184 1.00 72.00 H new ATOM 0 HB3 CYS A 37 -9.682 -3.330 -2.386 1.00 72.00 H new ATOM 0 HG CYS A 37 -11.923 -2.546 -3.608 1.00 75.54 H new ATOM 547 N GLU A 38 -11.496 -0.180 -0.038 1.00 14.20 N ATOM 548 CA GLU A 38 -11.566 1.292 0.201 1.00 45.53 C ATOM 549 C GLU A 38 -11.050 1.726 1.605 1.00 22.50 C ATOM 550 O GLU A 38 -10.240 2.663 1.692 1.00 51.11 O ATOM 551 CB GLU A 38 -12.992 1.840 -0.068 1.00 11.51 C ATOM 552 CG GLU A 38 -13.147 3.366 0.159 1.00 42.20 C ATOM 553 CD GLU A 38 -14.453 3.942 -0.412 1.00 50.15 C ATOM 554 OE1 GLU A 38 -15.529 3.696 0.173 1.00 71.41 O ATOM 555 OE2 GLU A 38 -14.404 4.638 -1.451 1.00 60.13 O ATOM 0 H GLU A 38 -12.404 -0.625 -0.175 1.00 14.20 H new ATOM 0 HA GLU A 38 -10.881 1.740 -0.518 1.00 45.53 H new ATOM 0 HB2 GLU A 38 -13.269 1.608 -1.097 1.00 11.51 H new ATOM 0 HB3 GLU A 38 -13.697 1.316 0.577 1.00 11.51 H new ATOM 0 HG2 GLU A 38 -13.105 3.572 1.229 1.00 42.20 H new ATOM 0 HG3 GLU A 38 -12.302 3.881 -0.298 1.00 42.20 H new ATOM 562 N ARG A 39 -11.500 1.055 2.699 1.00 22.04 N ATOM 563 CA ARG A 39 -11.032 1.401 4.076 1.00 70.40 C ATOM 564 C ARG A 39 -9.541 1.011 4.278 1.00 3.22 C ATOM 565 O ARG A 39 -8.816 1.667 5.033 1.00 52.42 O ATOM 566 CB ARG A 39 -11.928 0.782 5.206 1.00 4.30 C ATOM 567 CG ARG A 39 -11.603 -0.671 5.658 1.00 22.12 C ATOM 568 CD ARG A 39 -12.052 -1.758 4.662 1.00 42.53 C ATOM 569 NE ARG A 39 -13.506 -1.757 4.456 1.00 24.12 N ATOM 570 CZ ARG A 39 -14.415 -2.197 5.310 1.00 31.34 C ATOM 571 NH1 ARG A 39 -14.093 -2.756 6.438 1.00 64.42 N ATOM 572 NH2 ARG A 39 -15.660 -2.100 5.002 1.00 21.24 N ATOM 0 H ARG A 39 -12.171 0.288 2.661 1.00 22.04 H new ATOM 0 HA ARG A 39 -11.125 2.483 4.164 1.00 70.40 H new ATOM 0 HB2 ARG A 39 -11.864 1.430 6.080 1.00 4.30 H new ATOM 0 HB3 ARG A 39 -12.964 0.806 4.867 1.00 4.30 H new ATOM 0 HG2 ARG A 39 -10.528 -0.759 5.814 1.00 22.12 H new ATOM 0 HG3 ARG A 39 -12.081 -0.856 6.620 1.00 22.12 H new ATOM 0 HD2 ARG A 39 -11.552 -1.601 3.706 1.00 42.53 H new ATOM 0 HD3 ARG A 39 -11.740 -2.736 5.029 1.00 42.53 H new ATOM 0 HE ARG A 39 -13.847 -1.382 3.571 1.00 24.12 H new ATOM 0 HH11 ARG A 39 -13.111 -2.868 6.690 1.00 64.42 H new ATOM 0 HH12 ARG A 39 -14.822 -3.083 7.072 1.00 64.42 H new ATOM 0 HH21 ARG A 39 -15.934 -1.688 4.110 1.00 21.24 H new ATOM 0 HH22 ARG A 39 -16.373 -2.435 5.650 1.00 21.24 H new ATOM 586 N LEU A 40 -9.093 -0.046 3.559 1.00 24.04 N ATOM 587 CA LEU A 40 -7.683 -0.511 3.584 1.00 14.13 C ATOM 588 C LEU A 40 -6.734 0.580 3.025 1.00 45.11 C ATOM 589 O LEU A 40 -5.595 0.714 3.471 1.00 2.11 O ATOM 590 CB LEU A 40 -7.536 -1.828 2.768 1.00 20.35 C ATOM 591 CG LEU A 40 -8.471 -3.009 3.188 1.00 71.00 C ATOM 592 CD1 LEU A 40 -8.288 -4.231 2.260 1.00 21.14 C ATOM 593 CD2 LEU A 40 -8.257 -3.402 4.670 1.00 72.44 C ATOM 0 H LEU A 40 -9.694 -0.599 2.948 1.00 24.04 H new ATOM 0 HA LEU A 40 -7.404 -0.707 4.619 1.00 14.13 H new ATOM 0 HB2 LEU A 40 -7.720 -1.602 1.718 1.00 20.35 H new ATOM 0 HB3 LEU A 40 -6.502 -2.165 2.845 1.00 20.35 H new ATOM 0 HG LEU A 40 -9.499 -2.661 3.082 1.00 71.00 H new ATOM 0 HD11 LEU A 40 -8.953 -5.034 2.580 1.00 21.14 H new ATOM 0 HD12 LEU A 40 -8.528 -3.948 1.235 1.00 21.14 H new ATOM 0 HD13 LEU A 40 -7.255 -4.574 2.310 1.00 21.14 H new ATOM 0 HD21 LEU A 40 -8.923 -4.226 4.928 1.00 72.44 H new ATOM 0 HD22 LEU A 40 -7.222 -3.712 4.819 1.00 72.44 H new ATOM 0 HD23 LEU A 40 -8.475 -2.546 5.309 1.00 72.44 H new ATOM 605 N SER A 41 -7.222 1.317 2.009 1.00 33.54 N ATOM 606 CA SER A 41 -6.538 2.509 1.450 1.00 60.12 C ATOM 607 C SER A 41 -6.703 3.762 2.354 1.00 14.31 C ATOM 608 O SER A 41 -5.789 4.578 2.451 1.00 5.11 O ATOM 609 CB SER A 41 -7.090 2.802 0.035 1.00 21.01 C ATOM 610 OG SER A 41 -6.459 3.922 -0.571 1.00 11.25 O ATOM 0 H SER A 41 -8.106 1.105 1.547 1.00 33.54 H new ATOM 0 HA SER A 41 -5.472 2.287 1.399 1.00 60.12 H new ATOM 0 HB2 SER A 41 -6.950 1.924 -0.596 1.00 21.01 H new ATOM 0 HB3 SER A 41 -8.163 2.982 0.097 1.00 21.01 H new ATOM 0 HG SER A 41 -6.588 3.884 -1.542 1.00 11.25 H new ATOM 616 N ALA A 42 -7.876 3.885 3.015 1.00 22.40 N ATOM 617 CA ALA A 42 -8.282 5.102 3.777 1.00 13.14 C ATOM 618 C ALA A 42 -7.382 5.419 5.003 1.00 14.01 C ATOM 619 O ALA A 42 -6.963 6.568 5.189 1.00 63.12 O ATOM 620 CB ALA A 42 -9.748 4.975 4.220 1.00 31.12 C ATOM 0 H ALA A 42 -8.575 3.143 3.039 1.00 22.40 H new ATOM 0 HA ALA A 42 -8.158 5.941 3.092 1.00 13.14 H new ATOM 0 HB1 ALA A 42 -10.039 5.866 4.776 1.00 31.12 H new ATOM 0 HB2 ALA A 42 -10.386 4.871 3.342 1.00 31.12 H new ATOM 0 HB3 ALA A 42 -9.861 4.098 4.857 1.00 31.12 H new ATOM 626 N GLN A 43 -7.120 4.404 5.850 1.00 3.41 N ATOM 627 CA GLN A 43 -6.215 4.557 7.027 1.00 70.33 C ATOM 628 C GLN A 43 -4.765 4.891 6.586 1.00 22.51 C ATOM 629 O GLN A 43 -4.049 5.626 7.268 1.00 3.15 O ATOM 630 CB GLN A 43 -6.240 3.273 7.925 1.00 31.41 C ATOM 631 CG GLN A 43 -7.461 3.137 8.869 1.00 42.04 C ATOM 632 CD GLN A 43 -8.812 3.023 8.149 1.00 4.34 C ATOM 633 OE1 GLN A 43 -9.480 4.014 7.875 1.00 71.52 O ATOM 634 NE2 GLN A 43 -9.229 1.809 7.841 1.00 52.45 N ATOM 0 H GLN A 43 -7.516 3.469 5.749 1.00 3.41 H new ATOM 0 HA GLN A 43 -6.585 5.394 7.619 1.00 70.33 H new ATOM 0 HB2 GLN A 43 -6.206 2.398 7.276 1.00 31.41 H new ATOM 0 HB3 GLN A 43 -5.333 3.257 8.529 1.00 31.41 H new ATOM 0 HG2 GLN A 43 -7.323 2.257 9.497 1.00 42.04 H new ATOM 0 HG3 GLN A 43 -7.489 4.001 9.533 1.00 42.04 H new ATOM 0 HE21 GLN A 43 -8.658 0.998 8.078 1.00 52.45 H new ATOM 0 HE22 GLN A 43 -10.123 1.682 7.366 1.00 52.45 H new ATOM 643 N ILE A 44 -4.352 4.353 5.426 1.00 31.43 N ATOM 644 CA ILE A 44 -3.020 4.624 4.832 1.00 70.12 C ATOM 645 C ILE A 44 -2.949 6.040 4.211 1.00 72.24 C ATOM 646 O ILE A 44 -1.900 6.674 4.248 1.00 14.34 O ATOM 647 CB ILE A 44 -2.669 3.543 3.747 1.00 3.11 C ATOM 648 CG1 ILE A 44 -2.707 2.130 4.401 1.00 12.45 C ATOM 649 CG2 ILE A 44 -1.297 3.813 3.057 1.00 12.44 C ATOM 650 CD1 ILE A 44 -2.363 0.989 3.484 1.00 62.55 C ATOM 0 H ILE A 44 -4.926 3.719 4.870 1.00 31.43 H new ATOM 0 HA ILE A 44 -2.287 4.573 5.637 1.00 70.12 H new ATOM 0 HB ILE A 44 -3.417 3.598 2.956 1.00 3.11 H new ATOM 0 HG12 ILE A 44 -2.016 2.119 5.244 1.00 12.45 H new ATOM 0 HG13 ILE A 44 -3.705 1.961 4.805 1.00 12.45 H new ATOM 0 HG21 ILE A 44 -1.103 3.037 2.316 1.00 12.44 H new ATOM 0 HG22 ILE A 44 -1.322 4.786 2.565 1.00 12.44 H new ATOM 0 HG23 ILE A 44 -0.505 3.805 3.806 1.00 12.44 H new ATOM 0 HD11 ILE A 44 -2.418 0.050 4.035 1.00 62.55 H new ATOM 0 HD12 ILE A 44 -3.068 0.964 2.653 1.00 62.55 H new ATOM 0 HD13 ILE A 44 -1.353 1.124 3.098 1.00 62.55 H new ATOM 662 N GLU A 45 -4.081 6.511 3.657 1.00 33.20 N ATOM 663 CA GLU A 45 -4.207 7.851 3.027 1.00 71.51 C ATOM 664 C GLU A 45 -3.736 8.983 3.974 1.00 64.01 C ATOM 665 O GLU A 45 -2.981 9.882 3.569 1.00 62.32 O ATOM 666 CB GLU A 45 -5.685 8.078 2.588 1.00 3.42 C ATOM 667 CG GLU A 45 -6.052 9.538 2.232 1.00 45.10 C ATOM 668 CD GLU A 45 -7.549 9.802 1.961 1.00 44.22 C ATOM 669 OE1 GLU A 45 -8.413 9.000 2.392 1.00 35.44 O ATOM 670 OE2 GLU A 45 -7.857 10.837 1.324 1.00 45.23 O ATOM 0 H GLU A 45 -4.946 5.972 3.631 1.00 33.20 H new ATOM 0 HA GLU A 45 -3.557 7.880 2.152 1.00 71.51 H new ATOM 0 HB2 GLU A 45 -5.891 7.448 1.723 1.00 3.42 H new ATOM 0 HB3 GLU A 45 -6.341 7.741 3.391 1.00 3.42 H new ATOM 0 HG2 GLU A 45 -5.729 10.184 3.048 1.00 45.10 H new ATOM 0 HG3 GLU A 45 -5.484 9.832 1.349 1.00 45.10 H new ATOM 677 N GLU A 46 -4.186 8.924 5.237 1.00 30.43 N ATOM 678 CA GLU A 46 -3.810 9.917 6.261 1.00 65.43 C ATOM 679 C GLU A 46 -2.386 9.661 6.829 1.00 42.12 C ATOM 680 O GLU A 46 -1.658 10.613 7.116 1.00 61.22 O ATOM 681 CB GLU A 46 -4.911 9.995 7.371 1.00 40.11 C ATOM 682 CG GLU A 46 -5.158 8.713 8.221 1.00 71.23 C ATOM 683 CD GLU A 46 -4.189 8.504 9.408 1.00 44.31 C ATOM 684 OE1 GLU A 46 -3.512 9.473 9.829 1.00 42.14 O ATOM 685 OE2 GLU A 46 -4.111 7.375 9.939 1.00 32.34 O ATOM 0 H GLU A 46 -4.814 8.196 5.577 1.00 30.43 H new ATOM 0 HA GLU A 46 -3.758 10.898 5.788 1.00 65.43 H new ATOM 0 HB2 GLU A 46 -4.648 10.805 8.051 1.00 40.11 H new ATOM 0 HB3 GLU A 46 -5.852 10.271 6.895 1.00 40.11 H new ATOM 0 HG2 GLU A 46 -6.177 8.745 8.608 1.00 71.23 H new ATOM 0 HG3 GLU A 46 -5.093 7.845 7.565 1.00 71.23 H new ATOM 692 N CYS A 47 -1.991 8.370 6.971 1.00 53.02 N ATOM 693 CA CYS A 47 -0.635 7.979 7.468 1.00 43.52 C ATOM 694 C CYS A 47 0.495 8.493 6.542 1.00 63.15 C ATOM 695 O CYS A 47 1.473 9.093 7.004 1.00 40.11 O ATOM 696 CB CYS A 47 -0.520 6.439 7.610 1.00 62.45 C ATOM 697 SG CYS A 47 -1.546 5.719 8.909 1.00 11.41 S ATOM 0 H CYS A 47 -2.591 7.575 6.749 1.00 53.02 H new ATOM 0 HA CYS A 47 -0.515 8.445 8.446 1.00 43.52 H new ATOM 0 HB2 CYS A 47 -0.788 5.980 6.659 1.00 62.45 H new ATOM 0 HB3 CYS A 47 0.521 6.183 7.805 1.00 62.45 H new ATOM 0 HG CYS A 47 -2.740 5.497 8.446 1.00 11.41 H new ATOM 703 N ILE A 48 0.341 8.248 5.230 1.00 3.13 N ATOM 704 CA ILE A 48 1.312 8.666 4.196 1.00 1.02 C ATOM 705 C ILE A 48 1.285 10.213 4.005 1.00 13.24 C ATOM 706 O ILE A 48 2.293 10.822 3.629 1.00 42.30 O ATOM 707 CB ILE A 48 1.043 7.902 2.824 1.00 15.02 C ATOM 708 CG1 ILE A 48 2.278 7.990 1.859 1.00 11.30 C ATOM 709 CG2 ILE A 48 -0.249 8.417 2.122 1.00 62.12 C ATOM 710 CD1 ILE A 48 2.150 7.184 0.570 1.00 1.32 C ATOM 0 H ILE A 48 -0.465 7.751 4.851 1.00 3.13 H new ATOM 0 HA ILE A 48 2.312 8.393 4.533 1.00 1.02 H new ATOM 0 HB ILE A 48 0.890 6.852 3.072 1.00 15.02 H new ATOM 0 HG12 ILE A 48 2.444 9.036 1.600 1.00 11.30 H new ATOM 0 HG13 ILE A 48 3.164 7.650 2.396 1.00 11.30 H new ATOM 0 HG21 ILE A 48 -0.399 7.872 1.190 1.00 62.12 H new ATOM 0 HG22 ILE A 48 -1.106 8.259 2.776 1.00 62.12 H new ATOM 0 HG23 ILE A 48 -0.147 9.481 1.908 1.00 62.12 H new ATOM 0 HD11 ILE A 48 3.052 7.309 -0.029 1.00 1.32 H new ATOM 0 HD12 ILE A 48 2.019 6.129 0.812 1.00 1.32 H new ATOM 0 HD13 ILE A 48 1.288 7.537 0.004 1.00 1.32 H new ATOM 722 N PHE A 49 0.125 10.839 4.319 1.00 12.44 N ATOM 723 CA PHE A 49 -0.059 12.306 4.212 1.00 62.31 C ATOM 724 C PHE A 49 0.866 13.090 5.169 1.00 71.23 C ATOM 725 O PHE A 49 1.409 14.139 4.789 1.00 23.30 O ATOM 726 CB PHE A 49 -1.535 12.702 4.474 1.00 74.14 C ATOM 727 CG PHE A 49 -1.816 14.214 4.364 1.00 15.33 C ATOM 728 CD1 PHE A 49 -1.961 14.819 3.117 1.00 52.03 C ATOM 729 CD2 PHE A 49 -1.933 15.020 5.500 1.00 2.22 C ATOM 730 CE1 PHE A 49 -2.206 16.176 3.002 1.00 52.34 C ATOM 731 CE2 PHE A 49 -2.178 16.377 5.382 1.00 53.13 C ATOM 732 CZ PHE A 49 -2.320 16.955 4.134 1.00 44.03 C ATOM 0 H PHE A 49 -0.703 10.345 4.651 1.00 12.44 H new ATOM 0 HA PHE A 49 0.213 12.575 3.191 1.00 62.31 H new ATOM 0 HB2 PHE A 49 -2.172 12.174 3.765 1.00 74.14 H new ATOM 0 HB3 PHE A 49 -1.818 12.363 5.471 1.00 74.14 H new ATOM 0 HD1 PHE A 49 -1.881 14.217 2.224 1.00 52.03 H new ATOM 0 HD2 PHE A 49 -1.831 14.579 6.481 1.00 2.22 H new ATOM 0 HE1 PHE A 49 -2.308 16.625 2.025 1.00 52.34 H new ATOM 0 HE2 PHE A 49 -2.259 16.988 6.269 1.00 53.13 H new ATOM 0 HZ PHE A 49 -2.519 18.013 4.046 1.00 44.03 H new ATOM 742 N ARG A 50 1.030 12.555 6.390 1.00 23.44 N ATOM 743 CA ARG A 50 1.760 13.221 7.498 1.00 44.20 C ATOM 744 C ARG A 50 3.186 13.679 7.077 1.00 3.30 C ATOM 745 O ARG A 50 3.593 14.817 7.354 1.00 3.23 O ATOM 746 CB ARG A 50 1.851 12.257 8.720 1.00 75.34 C ATOM 747 CG ARG A 50 0.494 11.673 9.201 1.00 22.35 C ATOM 748 CD ARG A 50 0.657 10.666 10.359 1.00 62.44 C ATOM 749 NE ARG A 50 -0.578 9.914 10.668 1.00 61.35 N ATOM 750 CZ ARG A 50 -0.725 9.095 11.695 1.00 74.24 C ATOM 751 NH1 ARG A 50 0.171 9.009 12.629 1.00 53.34 N ATOM 752 NH2 ARG A 50 -1.784 8.381 11.811 1.00 43.54 N ATOM 0 H ARG A 50 0.659 11.640 6.645 1.00 23.44 H new ATOM 0 HA ARG A 50 1.200 14.116 7.768 1.00 44.20 H new ATOM 0 HB2 ARG A 50 2.514 11.431 8.463 1.00 75.34 H new ATOM 0 HB3 ARG A 50 2.314 12.790 9.550 1.00 75.34 H new ATOM 0 HG2 ARG A 50 -0.154 12.488 9.522 1.00 22.35 H new ATOM 0 HG3 ARG A 50 -0.002 11.181 8.364 1.00 22.35 H new ATOM 0 HD2 ARG A 50 1.449 9.960 10.107 1.00 62.44 H new ATOM 0 HD3 ARG A 50 0.980 11.201 11.252 1.00 62.44 H new ATOM 0 HE ARG A 50 -1.375 10.036 10.043 1.00 61.35 H new ATOM 0 HH11 ARG A 50 1.014 9.582 12.582 1.00 53.34 H new ATOM 0 HH12 ARG A 50 0.033 8.369 13.411 1.00 53.34 H new ATOM 0 HH21 ARG A 50 -2.520 8.443 11.108 1.00 43.54 H new ATOM 0 HH22 ARG A 50 -1.890 7.751 12.606 1.00 43.54 H new ATOM 766 N ASP A 51 3.925 12.777 6.403 1.00 51.05 N ATOM 767 CA ASP A 51 5.315 13.038 5.951 1.00 31.34 C ATOM 768 C ASP A 51 5.383 13.651 4.524 1.00 72.40 C ATOM 769 O ASP A 51 5.965 14.720 4.320 1.00 75.53 O ATOM 770 CB ASP A 51 6.119 11.717 5.986 1.00 44.14 C ATOM 771 CG ASP A 51 6.096 11.062 7.370 1.00 2.45 C ATOM 772 OD1 ASP A 51 5.157 10.288 7.656 1.00 44.44 O ATOM 773 OD2 ASP A 51 6.998 11.342 8.192 1.00 53.54 O ATOM 0 H ASP A 51 3.582 11.849 6.155 1.00 51.05 H new ATOM 0 HA ASP A 51 5.745 13.771 6.633 1.00 31.34 H new ATOM 0 HB2 ASP A 51 5.708 11.024 5.251 1.00 44.14 H new ATOM 0 HB3 ASP A 51 7.151 11.914 5.696 1.00 44.14 H new ATOM 778 N VAL A 52 4.790 12.945 3.543 1.00 70.02 N ATOM 779 CA VAL A 52 4.958 13.248 2.089 1.00 5.51 C ATOM 780 C VAL A 52 3.673 13.753 1.382 1.00 53.00 C ATOM 781 O VAL A 52 3.760 14.277 0.269 1.00 52.00 O ATOM 782 CB VAL A 52 5.522 11.985 1.332 1.00 51.35 C ATOM 783 CG1 VAL A 52 6.936 11.643 1.819 1.00 31.04 C ATOM 784 CG2 VAL A 52 4.597 10.759 1.487 1.00 33.44 C ATOM 0 H VAL A 52 4.180 12.148 3.724 1.00 70.02 H new ATOM 0 HA VAL A 52 5.668 14.074 2.044 1.00 5.51 H new ATOM 0 HB VAL A 52 5.564 12.240 0.273 1.00 51.35 H new ATOM 0 HG11 VAL A 52 7.304 10.768 1.283 1.00 31.04 H new ATOM 0 HG12 VAL A 52 7.599 12.488 1.634 1.00 31.04 H new ATOM 0 HG13 VAL A 52 6.911 11.429 2.888 1.00 31.04 H new ATOM 0 HG21 VAL A 52 5.023 9.911 0.950 1.00 33.44 H new ATOM 0 HG22 VAL A 52 4.500 10.508 2.543 1.00 33.44 H new ATOM 0 HG23 VAL A 52 3.614 10.991 1.077 1.00 33.44 H new ATOM 794 N GLY A 53 2.493 13.619 2.020 1.00 25.25 N ATOM 795 CA GLY A 53 1.201 14.029 1.400 1.00 64.44 C ATOM 796 C GLY A 53 1.069 15.536 1.098 1.00 71.41 C ATOM 797 O GLY A 53 0.078 15.969 0.496 1.00 70.34 O ATOM 0 H GLY A 53 2.400 13.233 2.960 1.00 25.25 H new ATOM 0 HA2 GLY A 53 1.070 13.475 0.470 1.00 64.44 H new ATOM 0 HA3 GLY A 53 0.388 13.735 2.064 1.00 64.44 H new ATOM 801 N ASN A 54 2.077 16.326 1.532 1.00 51.21 N ATOM 802 CA ASN A 54 2.302 17.741 1.099 1.00 21.14 C ATOM 803 C ASN A 54 2.562 17.882 -0.441 1.00 31.11 C ATOM 804 O ASN A 54 2.700 18.998 -0.949 1.00 40.32 O ATOM 805 CB ASN A 54 3.494 18.321 1.921 1.00 3.51 C ATOM 806 CG ASN A 54 4.780 17.466 1.856 1.00 12.23 C ATOM 807 OD1 ASN A 54 5.089 16.834 0.856 1.00 22.51 O ATOM 808 ND2 ASN A 54 5.532 17.422 2.933 1.00 63.11 N ATOM 0 H ASN A 54 2.773 16.002 2.204 1.00 51.21 H new ATOM 0 HA ASN A 54 1.390 18.306 1.293 1.00 21.14 H new ATOM 0 HB2 ASN A 54 3.718 19.324 1.557 1.00 3.51 H new ATOM 0 HB3 ASN A 54 3.189 18.421 2.963 1.00 3.51 H new ATOM 0 HD21 ASN A 54 6.381 16.857 2.939 1.00 63.11 H new ATOM 0 HD22 ASN A 54 5.266 17.953 3.763 1.00 63.11 H new ATOM 815 N THR A 55 2.669 16.715 -1.132 1.00 43.22 N ATOM 816 CA THR A 55 2.837 16.559 -2.598 1.00 55.05 C ATOM 817 C THR A 55 4.209 17.079 -3.080 1.00 10.24 C ATOM 818 O THR A 55 4.331 17.794 -4.081 1.00 24.41 O ATOM 819 CB THR A 55 1.630 17.108 -3.467 1.00 23.12 C ATOM 820 OG1 THR A 55 1.561 18.547 -3.476 1.00 11.41 O ATOM 821 CG2 THR A 55 0.280 16.529 -2.985 1.00 42.01 C ATOM 0 H THR A 55 2.639 15.814 -0.655 1.00 43.22 H new ATOM 0 HA THR A 55 2.818 15.483 -2.772 1.00 55.05 H new ATOM 0 HB THR A 55 1.821 16.776 -4.487 1.00 23.12 H new ATOM 0 HG1 THR A 55 2.055 18.903 -2.708 1.00 11.41 H new ATOM 0 HG21 THR A 55 -0.527 16.925 -3.602 1.00 42.01 H new ATOM 0 HG22 THR A 55 0.300 15.442 -3.068 1.00 42.01 H new ATOM 0 HG23 THR A 55 0.114 16.811 -1.945 1.00 42.01 H new ATOM 829 N ASP A 56 5.246 16.656 -2.333 1.00 21.01 N ATOM 830 CA ASP A 56 6.669 16.946 -2.620 1.00 4.05 C ATOM 831 C ASP A 56 7.204 16.037 -3.770 1.00 31.33 C ATOM 832 O ASP A 56 6.509 15.117 -4.218 1.00 41.41 O ATOM 833 CB ASP A 56 7.482 16.729 -1.307 1.00 70.41 C ATOM 834 CG ASP A 56 8.925 17.252 -1.367 1.00 74.04 C ATOM 835 OD1 ASP A 56 9.116 18.489 -1.357 1.00 51.54 O ATOM 836 OD2 ASP A 56 9.871 16.441 -1.457 1.00 73.44 O ATOM 0 H ASP A 56 5.118 16.090 -1.494 1.00 21.01 H new ATOM 0 HA ASP A 56 6.778 17.977 -2.956 1.00 4.05 H new ATOM 0 HB2 ASP A 56 6.962 17.222 -0.485 1.00 70.41 H new ATOM 0 HB3 ASP A 56 7.503 15.664 -1.077 1.00 70.41 H new ATOM 841 N MET A 57 8.440 16.312 -4.253 1.00 61.25 N ATOM 842 CA MET A 57 9.138 15.448 -5.249 1.00 74.34 C ATOM 843 C MET A 57 9.367 14.019 -4.687 1.00 3.41 C ATOM 844 O MET A 57 9.326 13.032 -5.430 1.00 12.44 O ATOM 845 CB MET A 57 10.493 16.084 -5.667 1.00 21.52 C ATOM 846 CG MET A 57 10.374 17.497 -6.247 1.00 11.41 C ATOM 847 SD MET A 57 9.267 17.569 -7.674 1.00 44.25 S ATOM 848 CE MET A 57 9.162 19.338 -7.962 1.00 1.20 C ATOM 0 H MET A 57 8.981 17.129 -3.970 1.00 61.25 H new ATOM 0 HA MET A 57 8.500 15.369 -6.129 1.00 74.34 H new ATOM 0 HB2 MET A 57 11.150 16.115 -4.798 1.00 21.52 H new ATOM 0 HB3 MET A 57 10.971 15.440 -6.405 1.00 21.52 H new ATOM 0 HG2 MET A 57 10.010 18.174 -5.474 1.00 11.41 H new ATOM 0 HG3 MET A 57 11.363 17.850 -6.540 1.00 11.41 H new ATOM 0 HE1 MET A 57 8.511 19.530 -8.815 1.00 1.20 H new ATOM 0 HE2 MET A 57 8.755 19.827 -7.077 1.00 1.20 H new ATOM 0 HE3 MET A 57 10.157 19.733 -8.169 1.00 1.20 H new ATOM 858 N LYS A 58 9.601 13.939 -3.358 1.00 23.45 N ATOM 859 CA LYS A 58 9.692 12.664 -2.616 1.00 71.14 C ATOM 860 C LYS A 58 8.373 11.853 -2.734 1.00 3.15 C ATOM 861 O LYS A 58 8.403 10.643 -2.940 1.00 4.42 O ATOM 862 CB LYS A 58 10.008 12.939 -1.118 1.00 62.34 C ATOM 863 CG LYS A 58 10.411 11.681 -0.302 1.00 63.23 C ATOM 864 CD LYS A 58 10.371 11.899 1.232 1.00 52.53 C ATOM 865 CE LYS A 58 11.207 13.085 1.724 1.00 51.13 C ATOM 866 NZ LYS A 58 12.651 12.906 1.424 1.00 42.22 N ATOM 0 H LYS A 58 9.732 14.761 -2.769 1.00 23.45 H new ATOM 0 HA LYS A 58 10.498 12.075 -3.054 1.00 71.14 H new ATOM 0 HB2 LYS A 58 10.815 13.669 -1.058 1.00 62.34 H new ATOM 0 HB3 LYS A 58 9.133 13.393 -0.653 1.00 62.34 H new ATOM 0 HG2 LYS A 58 9.743 10.860 -0.562 1.00 63.23 H new ATOM 0 HG3 LYS A 58 11.417 11.377 -0.592 1.00 63.23 H new ATOM 0 HD2 LYS A 58 9.336 12.048 1.539 1.00 52.53 H new ATOM 0 HD3 LYS A 58 10.723 10.993 1.725 1.00 52.53 H new ATOM 0 HE2 LYS A 58 10.849 14.001 1.254 1.00 51.13 H new ATOM 0 HE3 LYS A 58 11.071 13.204 2.799 1.00 51.13 H new ATOM 0 HZ1 LYS A 58 13.183 13.729 1.772 1.00 42.22 H new ATOM 0 HZ2 LYS A 58 12.999 12.045 1.893 1.00 42.22 H new ATOM 0 HZ3 LYS A 58 12.784 12.818 0.396 1.00 42.22 H new ATOM 880 N TYR A 59 7.224 12.559 -2.617 1.00 75.03 N ATOM 881 CA TYR A 59 5.869 11.957 -2.733 1.00 62.24 C ATOM 882 C TYR A 59 5.618 11.409 -4.146 1.00 41.02 C ATOM 883 O TYR A 59 5.076 10.317 -4.295 1.00 32.31 O ATOM 884 CB TYR A 59 4.785 13.005 -2.381 1.00 40.43 C ATOM 885 CG TYR A 59 3.315 12.499 -2.397 1.00 11.31 C ATOM 886 CD1 TYR A 59 2.888 11.508 -1.511 1.00 62.53 C ATOM 887 CD2 TYR A 59 2.356 13.036 -3.268 1.00 2.54 C ATOM 888 CE1 TYR A 59 1.577 11.067 -1.494 1.00 13.30 C ATOM 889 CE2 TYR A 59 1.041 12.600 -3.249 1.00 74.31 C ATOM 890 CZ TYR A 59 0.658 11.619 -2.359 1.00 63.13 C ATOM 891 OH TYR A 59 -0.649 11.182 -2.336 1.00 61.03 O ATOM 0 H TYR A 59 7.207 13.563 -2.439 1.00 75.03 H new ATOM 0 HA TYR A 59 5.815 11.127 -2.029 1.00 62.24 H new ATOM 0 HB2 TYR A 59 5.001 13.402 -1.389 1.00 40.43 H new ATOM 0 HB3 TYR A 59 4.870 13.835 -3.082 1.00 40.43 H new ATOM 0 HD1 TYR A 59 3.598 11.075 -0.822 1.00 62.53 H new ATOM 0 HD2 TYR A 59 2.648 13.805 -3.968 1.00 2.54 H new ATOM 0 HE1 TYR A 59 1.275 10.292 -0.805 1.00 13.30 H new ATOM 0 HE2 TYR A 59 0.319 13.027 -3.929 1.00 74.31 H new ATOM 0 HH TYR A 59 -0.879 10.886 -1.430 1.00 61.03 H new ATOM 901 N LYS A 60 6.018 12.190 -5.169 1.00 31.33 N ATOM 902 CA LYS A 60 5.889 11.796 -6.593 1.00 13.31 C ATOM 903 C LYS A 60 6.568 10.432 -6.856 1.00 21.13 C ATOM 904 O LYS A 60 5.934 9.490 -7.340 1.00 70.33 O ATOM 905 CB LYS A 60 6.502 12.888 -7.521 1.00 32.42 C ATOM 906 CG LYS A 60 5.856 14.286 -7.393 1.00 22.22 C ATOM 907 CD LYS A 60 4.333 14.275 -7.669 1.00 52.10 C ATOM 908 CE LYS A 60 3.690 15.666 -7.543 1.00 11.12 C ATOM 909 NZ LYS A 60 4.217 16.642 -8.529 1.00 43.44 N ATOM 0 H LYS A 60 6.439 13.110 -5.036 1.00 31.33 H new ATOM 0 HA LYS A 60 4.827 11.699 -6.818 1.00 13.31 H new ATOM 0 HB2 LYS A 60 7.566 12.974 -7.303 1.00 32.42 H new ATOM 0 HB3 LYS A 60 6.414 12.556 -8.556 1.00 32.42 H new ATOM 0 HG2 LYS A 60 6.035 14.673 -6.390 1.00 22.22 H new ATOM 0 HG3 LYS A 60 6.341 14.970 -8.090 1.00 22.22 H new ATOM 0 HD2 LYS A 60 4.154 13.887 -8.672 1.00 52.10 H new ATOM 0 HD3 LYS A 60 3.848 13.592 -6.972 1.00 52.10 H new ATOM 0 HE2 LYS A 60 2.612 15.574 -7.672 1.00 11.12 H new ATOM 0 HE3 LYS A 60 3.859 16.048 -6.536 1.00 11.12 H new ATOM 0 HZ1 LYS A 60 3.699 17.539 -8.440 1.00 43.44 H new ATOM 0 HZ2 LYS A 60 5.228 16.806 -8.349 1.00 43.44 H new ATOM 0 HZ3 LYS A 60 4.094 16.265 -9.490 1.00 43.44 H new ATOM 923 N ASN A 61 7.844 10.344 -6.463 1.00 62.31 N ATOM 924 CA ASN A 61 8.665 9.123 -6.602 1.00 2.53 C ATOM 925 C ASN A 61 8.149 7.963 -5.707 1.00 25.12 C ATOM 926 O ASN A 61 8.177 6.796 -6.120 1.00 45.05 O ATOM 927 CB ASN A 61 10.141 9.454 -6.243 1.00 42.35 C ATOM 928 CG ASN A 61 10.781 10.522 -7.151 1.00 60.22 C ATOM 929 OD1 ASN A 61 10.108 11.380 -7.712 1.00 63.01 O ATOM 930 ND2 ASN A 61 12.087 10.485 -7.306 1.00 30.35 N ATOM 0 H ASN A 61 8.346 11.122 -6.035 1.00 62.31 H new ATOM 0 HA ASN A 61 8.594 8.787 -7.637 1.00 2.53 H new ATOM 0 HB2 ASN A 61 10.185 9.797 -5.209 1.00 42.35 H new ATOM 0 HB3 ASN A 61 10.732 8.540 -6.301 1.00 42.35 H new ATOM 0 HD21 ASN A 61 12.550 11.175 -7.898 1.00 30.35 H new ATOM 0 HD22 ASN A 61 12.636 9.767 -6.834 1.00 30.35 H new ATOM 937 N ARG A 62 7.669 8.301 -4.489 1.00 74.00 N ATOM 938 CA ARG A 62 7.221 7.295 -3.490 1.00 15.22 C ATOM 939 C ARG A 62 5.898 6.614 -3.915 1.00 55.52 C ATOM 940 O ARG A 62 5.672 5.444 -3.606 1.00 4.11 O ATOM 941 CB ARG A 62 7.069 7.931 -2.069 1.00 32.52 C ATOM 942 CG ARG A 62 7.037 6.900 -0.912 1.00 14.02 C ATOM 943 CD ARG A 62 8.374 6.138 -0.780 1.00 42.54 C ATOM 944 NE ARG A 62 8.259 4.913 0.038 1.00 64.24 N ATOM 945 CZ ARG A 62 8.760 3.738 -0.292 1.00 33.13 C ATOM 946 NH1 ARG A 62 9.393 3.566 -1.412 1.00 42.14 N ATOM 947 NH2 ARG A 62 8.622 2.733 0.501 1.00 61.35 N ATOM 0 H ARG A 62 7.580 9.266 -4.170 1.00 74.00 H new ATOM 0 HA ARG A 62 7.996 6.530 -3.445 1.00 15.22 H new ATOM 0 HB2 ARG A 62 7.895 8.622 -1.902 1.00 32.52 H new ATOM 0 HB3 ARG A 62 6.151 8.519 -2.042 1.00 32.52 H new ATOM 0 HG2 ARG A 62 6.818 7.413 0.025 1.00 14.02 H new ATOM 0 HG3 ARG A 62 6.229 6.188 -1.083 1.00 14.02 H new ATOM 0 HD2 ARG A 62 8.735 5.873 -1.774 1.00 42.54 H new ATOM 0 HD3 ARG A 62 9.120 6.797 -0.335 1.00 42.54 H new ATOM 0 HE ARG A 62 7.755 4.981 0.922 1.00 64.24 H new ATOM 0 HH11 ARG A 62 9.511 4.348 -2.056 1.00 42.14 H new ATOM 0 HH12 ARG A 62 9.773 2.649 -1.648 1.00 42.14 H new ATOM 0 HH21 ARG A 62 8.125 2.845 1.385 1.00 61.35 H new ATOM 0 HH22 ARG A 62 9.009 1.825 0.245 1.00 61.35 H new ATOM 961 N VAL A 63 5.029 7.369 -4.606 1.00 51.53 N ATOM 962 CA VAL A 63 3.750 6.861 -5.158 1.00 33.30 C ATOM 963 C VAL A 63 3.996 5.893 -6.349 1.00 53.04 C ATOM 964 O VAL A 63 3.373 4.826 -6.422 1.00 25.34 O ATOM 965 CB VAL A 63 2.810 8.067 -5.567 1.00 65.21 C ATOM 966 CG1 VAL A 63 1.609 7.634 -6.441 1.00 63.12 C ATOM 967 CG2 VAL A 63 2.305 8.805 -4.301 1.00 33.34 C ATOM 0 H VAL A 63 5.190 8.357 -4.802 1.00 51.53 H new ATOM 0 HA VAL A 63 3.242 6.288 -4.382 1.00 33.30 H new ATOM 0 HB VAL A 63 3.415 8.740 -6.174 1.00 65.21 H new ATOM 0 HG11 VAL A 63 1.004 8.507 -6.687 1.00 63.12 H new ATOM 0 HG12 VAL A 63 1.974 7.175 -7.360 1.00 63.12 H new ATOM 0 HG13 VAL A 63 1.001 6.914 -5.893 1.00 63.12 H new ATOM 0 HG21 VAL A 63 1.659 9.632 -4.595 1.00 33.34 H new ATOM 0 HG22 VAL A 63 1.743 8.111 -3.675 1.00 33.34 H new ATOM 0 HG23 VAL A 63 3.157 9.191 -3.741 1.00 33.34 H new ATOM 977 N ARG A 64 4.928 6.265 -7.257 1.00 40.34 N ATOM 978 CA ARG A 64 5.350 5.392 -8.393 1.00 54.40 C ATOM 979 C ARG A 64 5.930 4.052 -7.866 1.00 32.41 C ATOM 980 O ARG A 64 5.658 2.978 -8.410 1.00 32.13 O ATOM 981 CB ARG A 64 6.421 6.098 -9.272 1.00 53.51 C ATOM 982 CG ARG A 64 6.026 7.491 -9.803 1.00 22.15 C ATOM 983 CD ARG A 64 7.125 8.128 -10.679 1.00 30.31 C ATOM 984 NE ARG A 64 8.438 8.154 -10.000 1.00 72.21 N ATOM 985 CZ ARG A 64 9.527 8.741 -10.452 1.00 21.10 C ATOM 986 NH1 ARG A 64 9.510 9.467 -11.526 1.00 73.10 N ATOM 987 NH2 ARG A 64 10.640 8.605 -9.805 1.00 60.12 N ATOM 0 H ARG A 64 5.407 7.165 -7.230 1.00 40.34 H new ATOM 0 HA ARG A 64 4.466 5.193 -8.999 1.00 54.40 H new ATOM 0 HB2 ARG A 64 7.337 6.196 -8.690 1.00 53.51 H new ATOM 0 HB3 ARG A 64 6.650 5.455 -10.122 1.00 53.51 H new ATOM 0 HG2 ARG A 64 5.107 7.407 -10.384 1.00 22.15 H new ATOM 0 HG3 ARG A 64 5.812 8.149 -8.961 1.00 22.15 H new ATOM 0 HD2 ARG A 64 7.212 7.571 -11.612 1.00 30.31 H new ATOM 0 HD3 ARG A 64 6.834 9.145 -10.941 1.00 30.31 H new ATOM 0 HE ARG A 64 8.507 7.675 -9.102 1.00 72.21 H new ATOM 0 HH11 ARG A 64 8.639 9.594 -12.042 1.00 73.10 H new ATOM 0 HH12 ARG A 64 10.367 9.911 -11.855 1.00 73.10 H new ATOM 0 HH21 ARG A 64 10.669 8.047 -8.952 1.00 60.12 H new ATOM 0 HH22 ARG A 64 11.488 9.056 -10.148 1.00 60.12 H new ATOM 1001 N SER A 65 6.745 4.163 -6.799 1.00 14.23 N ATOM 1002 CA SER A 65 7.325 3.007 -6.077 1.00 11.14 C ATOM 1003 C SER A 65 6.232 2.134 -5.420 1.00 14.52 C ATOM 1004 O SER A 65 6.183 0.923 -5.647 1.00 71.14 O ATOM 1005 CB SER A 65 8.313 3.511 -4.989 1.00 42.21 C ATOM 1006 OG SER A 65 8.785 2.458 -4.149 1.00 3.01 O ATOM 0 H SER A 65 7.023 5.063 -6.409 1.00 14.23 H new ATOM 0 HA SER A 65 7.853 2.391 -6.805 1.00 11.14 H new ATOM 0 HB2 SER A 65 9.162 3.996 -5.471 1.00 42.21 H new ATOM 0 HB3 SER A 65 7.820 4.266 -4.377 1.00 42.21 H new ATOM 0 HG SER A 65 9.660 2.701 -3.780 1.00 3.01 H new ATOM 1012 N ARG A 66 5.334 2.782 -4.648 1.00 71.41 N ATOM 1013 CA ARG A 66 4.376 2.083 -3.757 1.00 52.12 C ATOM 1014 C ARG A 66 3.371 1.238 -4.559 1.00 74.13 C ATOM 1015 O ARG A 66 3.319 0.031 -4.381 1.00 74.45 O ATOM 1016 CB ARG A 66 3.624 3.103 -2.821 1.00 22.43 C ATOM 1017 CG ARG A 66 3.753 2.797 -1.309 1.00 53.40 C ATOM 1018 CD ARG A 66 5.213 2.868 -0.826 1.00 34.04 C ATOM 1019 NE ARG A 66 5.367 2.422 0.569 1.00 14.24 N ATOM 1020 CZ ARG A 66 5.461 3.202 1.625 1.00 24.22 C ATOM 1021 NH1 ARG A 66 5.333 4.497 1.538 1.00 53.43 N ATOM 1022 NH2 ARG A 66 5.674 2.673 2.781 1.00 44.03 N ATOM 0 H ARG A 66 5.251 3.798 -4.623 1.00 71.41 H new ATOM 0 HA ARG A 66 4.953 1.405 -3.128 1.00 52.12 H new ATOM 0 HB2 ARG A 66 4.010 4.105 -3.011 1.00 22.43 H new ATOM 0 HB3 ARG A 66 2.567 3.112 -3.089 1.00 22.43 H new ATOM 0 HG2 ARG A 66 3.150 3.507 -0.743 1.00 53.40 H new ATOM 0 HG3 ARG A 66 3.352 1.804 -1.105 1.00 53.40 H new ATOM 0 HD2 ARG A 66 5.837 2.251 -1.473 1.00 34.04 H new ATOM 0 HD3 ARG A 66 5.574 3.892 -0.919 1.00 34.04 H new ATOM 0 HE ARG A 66 5.404 1.416 0.732 1.00 14.24 H new ATOM 0 HH11 ARG A 66 5.155 4.932 0.633 1.00 53.43 H new ATOM 0 HH12 ARG A 66 5.411 5.075 2.375 1.00 53.43 H new ATOM 0 HH21 ARG A 66 5.768 1.661 2.869 1.00 44.03 H new ATOM 0 HH22 ARG A 66 5.749 3.266 3.607 1.00 44.03 H new ATOM 1036 N ILE A 67 2.642 1.890 -5.483 1.00 14.10 N ATOM 1037 CA ILE A 67 1.598 1.245 -6.328 1.00 50.01 C ATOM 1038 C ILE A 67 2.171 0.047 -7.122 1.00 12.15 C ATOM 1039 O ILE A 67 1.544 -1.016 -7.207 1.00 33.45 O ATOM 1040 CB ILE A 67 0.975 2.299 -7.319 1.00 33.20 C ATOM 1041 CG1 ILE A 67 0.352 3.486 -6.516 1.00 63.03 C ATOM 1042 CG2 ILE A 67 -0.075 1.667 -8.279 1.00 30.12 C ATOM 1043 CD1 ILE A 67 -0.085 4.661 -7.364 1.00 23.02 C ATOM 0 H ILE A 67 2.755 2.886 -5.672 1.00 14.10 H new ATOM 0 HA ILE A 67 0.820 0.867 -5.665 1.00 50.01 H new ATOM 0 HB ILE A 67 1.783 2.675 -7.947 1.00 33.20 H new ATOM 0 HG12 ILE A 67 -0.509 3.118 -5.958 1.00 63.03 H new ATOM 0 HG13 ILE A 67 1.081 3.834 -5.784 1.00 63.03 H new ATOM 0 HG21 ILE A 67 -0.473 2.437 -8.940 1.00 30.12 H new ATOM 0 HG22 ILE A 67 0.399 0.887 -8.874 1.00 30.12 H new ATOM 0 HG23 ILE A 67 -0.888 1.234 -7.695 1.00 30.12 H new ATOM 0 HD11 ILE A 67 -0.505 5.436 -6.723 1.00 23.02 H new ATOM 0 HD12 ILE A 67 0.774 5.061 -7.902 1.00 23.02 H new ATOM 0 HD13 ILE A 67 -0.840 4.333 -8.079 1.00 23.02 H new ATOM 1055 N SER A 68 3.381 0.241 -7.676 1.00 52.45 N ATOM 1056 CA SER A 68 4.130 -0.808 -8.402 1.00 33.52 C ATOM 1057 C SER A 68 4.472 -2.014 -7.488 1.00 11.23 C ATOM 1058 O SER A 68 4.360 -3.161 -7.914 1.00 42.22 O ATOM 1059 CB SER A 68 5.420 -0.208 -9.011 1.00 44.30 C ATOM 1060 OG SER A 68 6.155 -1.170 -9.742 1.00 22.44 O ATOM 0 H SER A 68 3.872 1.134 -7.634 1.00 52.45 H new ATOM 0 HA SER A 68 3.491 -1.181 -9.203 1.00 33.52 H new ATOM 0 HB2 SER A 68 5.160 0.624 -9.665 1.00 44.30 H new ATOM 0 HB3 SER A 68 6.044 0.197 -8.214 1.00 44.30 H new ATOM 0 HG SER A 68 6.961 -0.754 -10.112 1.00 22.44 H new ATOM 1066 N ASN A 69 4.868 -1.733 -6.229 1.00 12.03 N ATOM 1067 CA ASN A 69 5.185 -2.770 -5.211 1.00 2.45 C ATOM 1068 C ASN A 69 3.912 -3.442 -4.612 1.00 55.33 C ATOM 1069 O ASN A 69 3.985 -4.568 -4.109 1.00 40.30 O ATOM 1070 CB ASN A 69 6.075 -2.167 -4.086 1.00 71.15 C ATOM 1071 CG ASN A 69 7.498 -1.798 -4.555 1.00 51.45 C ATOM 1072 OD1 ASN A 69 8.070 -0.796 -4.141 1.00 72.30 O ATOM 1073 ND2 ASN A 69 8.105 -2.634 -5.377 1.00 12.25 N ATOM 0 H ASN A 69 4.979 -0.780 -5.884 1.00 12.03 H new ATOM 0 HA ASN A 69 5.737 -3.559 -5.721 1.00 2.45 H new ATOM 0 HB2 ASN A 69 5.590 -1.275 -3.689 1.00 71.15 H new ATOM 0 HB3 ASN A 69 6.146 -2.883 -3.267 1.00 71.15 H new ATOM 0 HD21 ASN A 69 9.063 -2.450 -5.676 1.00 12.25 H new ATOM 0 HD22 ASN A 69 7.616 -3.464 -5.713 1.00 12.25 H new ATOM 1080 N LEU A 70 2.756 -2.741 -4.653 1.00 63.14 N ATOM 1081 CA LEU A 70 1.451 -3.293 -4.191 1.00 70.52 C ATOM 1082 C LEU A 70 0.920 -4.375 -5.172 1.00 12.42 C ATOM 1083 O LEU A 70 0.235 -5.317 -4.762 1.00 44.30 O ATOM 1084 CB LEU A 70 0.389 -2.161 -4.027 1.00 33.21 C ATOM 1085 CG LEU A 70 0.729 -1.010 -3.018 1.00 21.33 C ATOM 1086 CD1 LEU A 70 -0.381 0.066 -2.953 1.00 51.33 C ATOM 1087 CD2 LEU A 70 1.040 -1.556 -1.620 1.00 10.11 C ATOM 0 H LEU A 70 2.695 -1.785 -5.003 1.00 63.14 H new ATOM 0 HA LEU A 70 1.621 -3.757 -3.219 1.00 70.52 H new ATOM 0 HB2 LEU A 70 0.216 -1.714 -5.006 1.00 33.21 H new ATOM 0 HB3 LEU A 70 -0.550 -2.619 -3.715 1.00 33.21 H new ATOM 0 HG LEU A 70 1.627 -0.525 -3.400 1.00 21.33 H new ATOM 0 HD11 LEU A 70 -0.096 0.840 -2.240 1.00 51.33 H new ATOM 0 HD12 LEU A 70 -0.514 0.512 -3.939 1.00 51.33 H new ATOM 0 HD13 LEU A 70 -1.316 -0.395 -2.634 1.00 51.33 H new ATOM 0 HD21 LEU A 70 1.271 -0.728 -0.949 1.00 10.11 H new ATOM 0 HD22 LEU A 70 0.175 -2.100 -1.241 1.00 10.11 H new ATOM 0 HD23 LEU A 70 1.896 -2.229 -1.674 1.00 10.11 H new ATOM 1099 N LYS A 71 1.248 -4.209 -6.472 1.00 2.21 N ATOM 1100 CA LYS A 71 0.824 -5.132 -7.564 1.00 32.51 C ATOM 1101 C LYS A 71 2.029 -5.913 -8.164 1.00 0.21 C ATOM 1102 O LYS A 71 1.904 -6.525 -9.237 1.00 13.33 O ATOM 1103 CB LYS A 71 0.090 -4.323 -8.677 1.00 73.41 C ATOM 1104 CG LYS A 71 0.975 -3.294 -9.432 1.00 2.01 C ATOM 1105 CD LYS A 71 0.220 -2.550 -10.561 1.00 72.50 C ATOM 1106 CE LYS A 71 -0.972 -1.721 -10.054 1.00 3.43 C ATOM 1107 NZ LYS A 71 -1.655 -1.002 -11.162 1.00 70.43 N ATOM 0 H LYS A 71 1.817 -3.429 -6.802 1.00 2.21 H new ATOM 0 HA LYS A 71 0.143 -5.869 -7.139 1.00 32.51 H new ATOM 0 HB2 LYS A 71 -0.324 -5.024 -9.402 1.00 73.41 H new ATOM 0 HB3 LYS A 71 -0.751 -3.795 -8.227 1.00 73.41 H new ATOM 0 HG2 LYS A 71 1.360 -2.564 -8.720 1.00 2.01 H new ATOM 0 HG3 LYS A 71 1.836 -3.809 -9.858 1.00 2.01 H new ATOM 0 HD2 LYS A 71 0.916 -1.892 -11.081 1.00 72.50 H new ATOM 0 HD3 LYS A 71 -0.137 -3.277 -11.290 1.00 72.50 H new ATOM 0 HE2 LYS A 71 -1.684 -2.377 -9.553 1.00 3.43 H new ATOM 0 HE3 LYS A 71 -0.625 -1.001 -9.313 1.00 3.43 H new ATOM 0 HZ1 LYS A 71 -2.453 -0.454 -10.781 1.00 70.43 H new ATOM 0 HZ2 LYS A 71 -0.982 -0.358 -11.624 1.00 70.43 H new ATOM 0 HZ3 LYS A 71 -2.008 -1.690 -11.857 1.00 70.43 H new ATOM 1121 N ASP A 72 3.175 -5.909 -7.451 1.00 53.22 N ATOM 1122 CA ASP A 72 4.468 -6.417 -7.974 1.00 25.14 C ATOM 1123 C ASP A 72 4.439 -7.943 -8.248 1.00 71.24 C ATOM 1124 O ASP A 72 3.927 -8.720 -7.444 1.00 31.12 O ATOM 1125 CB ASP A 72 5.609 -6.067 -6.981 1.00 70.30 C ATOM 1126 CG ASP A 72 7.004 -6.136 -7.617 1.00 55.40 C ATOM 1127 OD1 ASP A 72 7.400 -5.165 -8.302 1.00 54.11 O ATOM 1128 OD2 ASP A 72 7.699 -7.155 -7.452 1.00 43.03 O ATOM 0 H ASP A 72 3.234 -5.554 -6.496 1.00 53.22 H new ATOM 0 HA ASP A 72 4.650 -5.928 -8.931 1.00 25.14 H new ATOM 0 HB2 ASP A 72 5.445 -5.064 -6.588 1.00 70.30 H new ATOM 0 HB3 ASP A 72 5.568 -6.752 -6.134 1.00 70.30 H new ATOM 1133 N ALA A 73 5.019 -8.350 -9.392 1.00 60.42 N ATOM 1134 CA ALA A 73 5.039 -9.763 -9.840 1.00 2.24 C ATOM 1135 C ALA A 73 6.054 -10.624 -9.041 1.00 44.32 C ATOM 1136 O ALA A 73 5.872 -11.839 -8.899 1.00 42.15 O ATOM 1137 CB ALA A 73 5.343 -9.826 -11.348 1.00 73.02 C ATOM 0 H ALA A 73 5.488 -7.712 -10.035 1.00 60.42 H new ATOM 0 HA ALA A 73 4.052 -10.184 -9.648 1.00 2.24 H new ATOM 0 HB1 ALA A 73 5.357 -10.866 -11.673 1.00 73.02 H new ATOM 0 HB2 ALA A 73 4.573 -9.284 -11.897 1.00 73.02 H new ATOM 0 HB3 ALA A 73 6.315 -9.372 -11.543 1.00 73.02 H new ATOM 1143 N LYS A 74 7.122 -9.982 -8.529 1.00 74.04 N ATOM 1144 CA LYS A 74 8.191 -10.666 -7.763 1.00 14.10 C ATOM 1145 C LYS A 74 7.791 -10.791 -6.276 1.00 52.02 C ATOM 1146 O LYS A 74 8.012 -11.834 -5.650 1.00 12.45 O ATOM 1147 CB LYS A 74 9.557 -9.919 -7.892 1.00 51.23 C ATOM 1148 CG LYS A 74 10.152 -9.822 -9.326 1.00 23.32 C ATOM 1149 CD LYS A 74 9.408 -8.830 -10.250 1.00 10.11 C ATOM 1150 CE LYS A 74 10.069 -8.671 -11.631 1.00 22.41 C ATOM 1151 NZ LYS A 74 9.393 -7.627 -12.448 1.00 22.32 N ATOM 0 H LYS A 74 7.271 -8.978 -8.632 1.00 74.04 H new ATOM 0 HA LYS A 74 8.314 -11.664 -8.185 1.00 14.10 H new ATOM 0 HB2 LYS A 74 9.433 -8.908 -7.503 1.00 51.23 H new ATOM 0 HB3 LYS A 74 10.284 -10.420 -7.252 1.00 51.23 H new ATOM 0 HG2 LYS A 74 11.198 -9.522 -9.255 1.00 23.32 H new ATOM 0 HG3 LYS A 74 10.135 -10.811 -9.783 1.00 23.32 H new ATOM 0 HD2 LYS A 74 8.381 -9.169 -10.384 1.00 10.11 H new ATOM 0 HD3 LYS A 74 9.361 -7.856 -9.763 1.00 10.11 H new ATOM 0 HE2 LYS A 74 11.120 -8.410 -11.504 1.00 22.41 H new ATOM 0 HE3 LYS A 74 10.039 -9.623 -12.160 1.00 22.41 H new ATOM 0 HZ1 LYS A 74 9.866 -7.548 -13.371 1.00 22.32 H new ATOM 0 HZ2 LYS A 74 8.397 -7.889 -12.591 1.00 22.32 H new ATOM 0 HZ3 LYS A 74 9.443 -6.713 -11.954 1.00 22.32 H new ATOM 1165 N ASN A 75 7.191 -9.713 -5.723 1.00 44.11 N ATOM 1166 CA ASN A 75 6.711 -9.684 -4.317 1.00 42.13 C ATOM 1167 C ASN A 75 5.260 -9.109 -4.231 1.00 43.10 C ATOM 1168 O ASN A 75 5.070 -7.926 -3.914 1.00 30.33 O ATOM 1169 CB ASN A 75 7.714 -8.874 -3.432 1.00 75.21 C ATOM 1170 CG ASN A 75 7.389 -8.883 -1.927 1.00 75.44 C ATOM 1171 OD1 ASN A 75 7.820 -7.855 -1.216 1.00 5.21 O flip ATOM 1172 ND2 ASN A 75 6.781 -9.811 -1.401 1.00 2.21 N flip ATOM 0 H ASN A 75 7.025 -8.844 -6.231 1.00 44.11 H new ATOM 0 HA ASN A 75 6.668 -10.704 -3.934 1.00 42.13 H new ATOM 0 HB2 ASN A 75 8.716 -9.279 -3.577 1.00 75.21 H new ATOM 0 HB3 ASN A 75 7.734 -7.841 -3.780 1.00 75.21 H new ATOM 0 HD21 ASN A 75 6.457 -10.595 -1.968 1.00 2.21 H new ATOM 0 HD22 ASN A 75 6.600 -9.798 -0.397 1.00 2.21 H new ATOM 1179 N PRO A 76 4.209 -9.931 -4.577 1.00 61.54 N ATOM 1180 CA PRO A 76 2.786 -9.561 -4.336 1.00 55.15 C ATOM 1181 C PRO A 76 2.353 -9.826 -2.868 1.00 74.21 C ATOM 1182 O PRO A 76 1.382 -9.236 -2.376 1.00 34.21 O ATOM 1183 CB PRO A 76 2.030 -10.471 -5.340 1.00 44.31 C ATOM 1184 CG PRO A 76 2.874 -11.711 -5.430 1.00 63.54 C ATOM 1185 CD PRO A 76 4.317 -11.255 -5.260 1.00 20.24 C ATOM 0 HA PRO A 76 2.586 -8.499 -4.480 1.00 55.15 H new ATOM 0 HB2 PRO A 76 1.024 -10.700 -4.989 1.00 44.31 H new ATOM 0 HB3 PRO A 76 1.926 -9.990 -6.312 1.00 44.31 H new ATOM 0 HG2 PRO A 76 2.598 -12.427 -4.656 1.00 63.54 H new ATOM 0 HG3 PRO A 76 2.733 -12.209 -6.389 1.00 63.54 H new ATOM 0 HD2 PRO A 76 4.890 -11.964 -4.663 1.00 20.24 H new ATOM 0 HD3 PRO A 76 4.822 -11.166 -6.222 1.00 20.24 H new ATOM 1193 N ASP A 77 3.119 -10.702 -2.179 1.00 3.22 N ATOM 1194 CA ASP A 77 2.895 -11.093 -0.774 1.00 60.44 C ATOM 1195 C ASP A 77 2.995 -9.894 0.190 1.00 44.33 C ATOM 1196 O ASP A 77 2.387 -9.910 1.263 1.00 10.42 O ATOM 1197 CB ASP A 77 3.917 -12.185 -0.382 1.00 43.42 C ATOM 1198 CG ASP A 77 3.801 -13.430 -1.270 1.00 20.43 C ATOM 1199 OD1 ASP A 77 4.426 -13.456 -2.360 1.00 1.33 O ATOM 1200 OD2 ASP A 77 3.060 -14.367 -0.893 1.00 2.34 O ATOM 0 H ASP A 77 3.927 -11.165 -2.596 1.00 3.22 H new ATOM 0 HA ASP A 77 1.880 -11.482 -0.689 1.00 60.44 H new ATOM 0 HB2 ASP A 77 4.926 -11.780 -0.457 1.00 43.42 H new ATOM 0 HB3 ASP A 77 3.763 -12.468 0.659 1.00 43.42 H new ATOM 1205 N LEU A 78 3.749 -8.856 -0.227 1.00 34.15 N ATOM 1206 CA LEU A 78 3.935 -7.612 0.545 1.00 1.42 C ATOM 1207 C LEU A 78 2.575 -6.976 0.944 1.00 62.24 C ATOM 1208 O LEU A 78 2.287 -6.791 2.135 1.00 60.23 O ATOM 1209 CB LEU A 78 4.748 -6.606 -0.320 1.00 2.11 C ATOM 1210 CG LEU A 78 5.019 -5.203 0.309 1.00 64.23 C ATOM 1211 CD1 LEU A 78 5.966 -5.301 1.530 1.00 62.24 C ATOM 1212 CD2 LEU A 78 5.555 -4.216 -0.756 1.00 15.02 C ATOM 0 H LEU A 78 4.249 -8.859 -1.116 1.00 34.15 H new ATOM 0 HA LEU A 78 4.470 -7.850 1.464 1.00 1.42 H new ATOM 0 HB2 LEU A 78 5.708 -7.062 -0.561 1.00 2.11 H new ATOM 0 HB3 LEU A 78 4.218 -6.461 -1.262 1.00 2.11 H new ATOM 0 HG LEU A 78 4.070 -4.811 0.675 1.00 64.23 H new ATOM 0 HD11 LEU A 78 6.132 -4.306 1.942 1.00 62.24 H new ATOM 0 HD12 LEU A 78 5.514 -5.938 2.291 1.00 62.24 H new ATOM 0 HD13 LEU A 78 6.919 -5.728 1.218 1.00 62.24 H new ATOM 0 HD21 LEU A 78 5.736 -3.245 -0.294 1.00 15.02 H new ATOM 0 HD22 LEU A 78 6.487 -4.600 -1.172 1.00 15.02 H new ATOM 0 HD23 LEU A 78 4.820 -4.107 -1.553 1.00 15.02 H new ATOM 1224 N ARG A 79 1.738 -6.658 -0.067 1.00 0.30 N ATOM 1225 CA ARG A 79 0.387 -6.109 0.174 1.00 53.00 C ATOM 1226 C ARG A 79 -0.645 -7.199 0.555 1.00 3.40 C ATOM 1227 O ARG A 79 -1.596 -6.919 1.291 1.00 65.22 O ATOM 1228 CB ARG A 79 -0.123 -5.270 -1.028 1.00 43.52 C ATOM 1229 CG ARG A 79 -1.408 -4.464 -0.701 1.00 11.31 C ATOM 1230 CD ARG A 79 -1.206 -3.494 0.495 1.00 31.23 C ATOM 1231 NE ARG A 79 -2.475 -3.021 1.076 1.00 1.43 N ATOM 1232 CZ ARG A 79 -2.787 -1.767 1.317 1.00 32.11 C ATOM 1233 NH1 ARG A 79 -2.028 -0.798 0.893 1.00 32.23 N ATOM 1234 NH2 ARG A 79 -3.890 -1.484 1.942 1.00 53.03 N ATOM 0 H ARG A 79 1.973 -6.771 -1.053 1.00 0.30 H new ATOM 0 HA ARG A 79 0.488 -5.445 1.033 1.00 53.00 H new ATOM 0 HB2 ARG A 79 0.661 -4.581 -1.343 1.00 43.52 H new ATOM 0 HB3 ARG A 79 -0.321 -5.934 -1.870 1.00 43.52 H new ATOM 0 HG2 ARG A 79 -1.711 -3.895 -1.580 1.00 11.31 H new ATOM 0 HG3 ARG A 79 -2.220 -5.155 -0.473 1.00 11.31 H new ATOM 0 HD2 ARG A 79 -0.624 -3.996 1.268 1.00 31.23 H new ATOM 0 HD3 ARG A 79 -0.622 -2.635 0.164 1.00 31.23 H new ATOM 0 HE ARG A 79 -3.172 -3.728 1.312 1.00 1.43 H new ATOM 0 HH11 ARG A 79 -1.180 -1.008 0.367 1.00 32.23 H new ATOM 0 HH12 ARG A 79 -2.282 0.171 1.087 1.00 32.23 H new ATOM 0 HH21 ARG A 79 -4.512 -2.234 2.245 1.00 53.03 H new ATOM 0 HH22 ARG A 79 -4.134 -0.512 2.130 1.00 53.03 H new ATOM 1248 N ARG A 80 -0.465 -8.429 0.036 1.00 33.10 N ATOM 1249 CA ARG A 80 -1.400 -9.563 0.287 1.00 63.33 C ATOM 1250 C ARG A 80 -1.503 -9.913 1.804 1.00 31.51 C ATOM 1251 O ARG A 80 -2.566 -10.324 2.288 1.00 43.41 O ATOM 1252 CB ARG A 80 -0.977 -10.794 -0.557 1.00 2.01 C ATOM 1253 CG ARG A 80 -1.904 -12.024 -0.428 1.00 13.14 C ATOM 1254 CD ARG A 80 -1.494 -13.186 -1.351 1.00 73.53 C ATOM 1255 NE ARG A 80 -2.243 -14.416 -1.035 1.00 63.14 N ATOM 1256 CZ ARG A 80 -2.942 -15.143 -1.880 1.00 1.31 C ATOM 1257 NH1 ARG A 80 -3.119 -14.779 -3.112 1.00 35.31 N ATOM 1258 NH2 ARG A 80 -3.488 -16.237 -1.476 1.00 34.44 N ATOM 0 H ARG A 80 0.323 -8.672 -0.565 1.00 33.10 H new ATOM 0 HA ARG A 80 -2.398 -9.255 -0.024 1.00 63.33 H new ATOM 0 HB2 ARG A 80 -0.933 -10.499 -1.605 1.00 2.01 H new ATOM 0 HB3 ARG A 80 0.032 -11.086 -0.266 1.00 2.01 H new ATOM 0 HG2 ARG A 80 -1.899 -12.369 0.606 1.00 13.14 H new ATOM 0 HG3 ARG A 80 -2.927 -11.727 -0.659 1.00 13.14 H new ATOM 0 HD2 ARG A 80 -1.671 -12.907 -2.390 1.00 73.53 H new ATOM 0 HD3 ARG A 80 -0.425 -13.373 -1.249 1.00 73.53 H new ATOM 0 HE ARG A 80 -2.217 -14.735 -0.066 1.00 63.14 H new ATOM 0 HH11 ARG A 80 -2.711 -13.907 -3.450 1.00 35.31 H new ATOM 0 HH12 ARG A 80 -3.666 -15.364 -3.743 1.00 35.31 H new ATOM 0 HH21 ARG A 80 -3.377 -16.535 -0.507 1.00 34.44 H new ATOM 0 HH22 ARG A 80 -4.031 -16.806 -2.125 1.00 34.44 H new ATOM 1272 N ASN A 81 -0.393 -9.710 2.542 1.00 72.42 N ATOM 1273 CA ASN A 81 -0.366 -9.842 4.020 1.00 42.52 C ATOM 1274 C ASN A 81 -1.166 -8.703 4.719 1.00 74.42 C ATOM 1275 O ASN A 81 -1.720 -8.906 5.793 1.00 62.15 O ATOM 1276 CB ASN A 81 1.094 -9.873 4.536 1.00 64.22 C ATOM 1277 CG ASN A 81 1.882 -11.102 4.066 1.00 3.12 C ATOM 1278 OD1 ASN A 81 1.328 -12.174 3.849 1.00 12.11 O ATOM 1279 ND2 ASN A 81 3.185 -10.955 3.906 1.00 42.22 N ATOM 0 H ASN A 81 0.507 -9.451 2.137 1.00 72.42 H new ATOM 0 HA ASN A 81 -0.850 -10.785 4.272 1.00 42.52 H new ATOM 0 HB2 ASN A 81 1.608 -8.972 4.202 1.00 64.22 H new ATOM 0 HB3 ASN A 81 1.087 -9.851 5.626 1.00 64.22 H new ATOM 0 HD21 ASN A 81 3.753 -11.743 3.596 1.00 42.22 H new ATOM 0 HD22 ASN A 81 3.623 -10.053 4.093 1.00 42.22 H new ATOM 1286 N VAL A 82 -1.213 -7.511 4.102 1.00 55.01 N ATOM 1287 CA VAL A 82 -2.038 -6.376 4.609 1.00 34.40 C ATOM 1288 C VAL A 82 -3.549 -6.647 4.359 1.00 42.54 C ATOM 1289 O VAL A 82 -4.401 -6.296 5.185 1.00 1.54 O ATOM 1290 CB VAL A 82 -1.632 -5.004 3.943 1.00 45.10 C ATOM 1291 CG1 VAL A 82 -2.311 -3.796 4.642 1.00 11.02 C ATOM 1292 CG2 VAL A 82 -0.099 -4.834 3.907 1.00 62.11 C ATOM 0 H VAL A 82 -0.693 -7.297 3.251 1.00 55.01 H new ATOM 0 HA VAL A 82 -1.851 -6.300 5.680 1.00 34.40 H new ATOM 0 HB VAL A 82 -1.994 -5.027 2.915 1.00 45.10 H new ATOM 0 HG11 VAL A 82 -2.004 -2.872 4.152 1.00 11.02 H new ATOM 0 HG12 VAL A 82 -3.394 -3.899 4.576 1.00 11.02 H new ATOM 0 HG13 VAL A 82 -2.013 -3.767 5.690 1.00 11.02 H new ATOM 0 HG21 VAL A 82 0.150 -3.880 3.443 1.00 62.11 H new ATOM 0 HG22 VAL A 82 0.294 -4.857 4.924 1.00 62.11 H new ATOM 0 HG23 VAL A 82 0.344 -5.645 3.329 1.00 62.11 H new ATOM 1302 N LEU A 83 -3.849 -7.296 3.211 1.00 43.50 N ATOM 1303 CA LEU A 83 -5.230 -7.668 2.809 1.00 31.23 C ATOM 1304 C LEU A 83 -5.840 -8.734 3.761 1.00 33.42 C ATOM 1305 O LEU A 83 -7.046 -8.716 4.032 1.00 72.21 O ATOM 1306 CB LEU A 83 -5.233 -8.193 1.341 1.00 54.11 C ATOM 1307 CG LEU A 83 -4.755 -7.186 0.240 1.00 43.11 C ATOM 1308 CD1 LEU A 83 -4.682 -7.858 -1.153 1.00 5.13 C ATOM 1309 CD2 LEU A 83 -5.655 -5.933 0.197 1.00 41.55 C ATOM 0 H LEU A 83 -3.140 -7.578 2.534 1.00 43.50 H new ATOM 0 HA LEU A 83 -5.850 -6.774 2.877 1.00 31.23 H new ATOM 0 HB2 LEU A 83 -4.598 -9.078 1.293 1.00 54.11 H new ATOM 0 HB3 LEU A 83 -6.245 -8.513 1.095 1.00 54.11 H new ATOM 0 HG LEU A 83 -3.748 -6.869 0.509 1.00 43.11 H new ATOM 0 HD11 LEU A 83 -4.347 -7.129 -1.891 1.00 5.13 H new ATOM 0 HD12 LEU A 83 -3.979 -8.690 -1.119 1.00 5.13 H new ATOM 0 HD13 LEU A 83 -5.669 -8.228 -1.431 1.00 5.13 H new ATOM 0 HD21 LEU A 83 -5.297 -5.254 -0.577 1.00 41.55 H new ATOM 0 HD22 LEU A 83 -6.680 -6.229 -0.026 1.00 41.55 H new ATOM 0 HD23 LEU A 83 -5.624 -5.430 1.163 1.00 41.55 H new ATOM 1321 N CYS A 84 -4.994 -9.675 4.244 1.00 11.51 N ATOM 1322 CA CYS A 84 -5.412 -10.699 5.241 1.00 61.31 C ATOM 1323 C CYS A 84 -5.372 -10.143 6.685 1.00 21.35 C ATOM 1324 O CYS A 84 -5.959 -10.733 7.595 1.00 64.44 O ATOM 1325 CB CYS A 84 -4.523 -11.962 5.138 1.00 73.05 C ATOM 1326 SG CYS A 84 -2.788 -11.696 5.573 1.00 11.44 S ATOM 0 H CYS A 84 -4.017 -9.749 3.961 1.00 11.51 H new ATOM 0 HA CYS A 84 -6.443 -10.969 5.011 1.00 61.31 H new ATOM 0 HB2 CYS A 84 -4.933 -12.734 5.789 1.00 73.05 H new ATOM 0 HB3 CYS A 84 -4.574 -12.345 4.119 1.00 73.05 H new ATOM 0 HG CYS A 84 -2.571 -10.425 5.735 1.00 11.44 H new ATOM 1332 N GLY A 85 -4.674 -9.005 6.881 1.00 64.12 N ATOM 1333 CA GLY A 85 -4.626 -8.317 8.186 1.00 45.23 C ATOM 1334 C GLY A 85 -3.400 -8.656 9.043 1.00 10.20 C ATOM 1335 O GLY A 85 -3.360 -8.300 10.223 1.00 72.51 O ATOM 0 H GLY A 85 -4.135 -8.543 6.149 1.00 64.12 H new ATOM 0 HA2 GLY A 85 -4.647 -7.241 8.015 1.00 45.23 H new ATOM 0 HA3 GLY A 85 -5.526 -8.568 8.747 1.00 45.23 H new ATOM 1339 N ALA A 86 -2.407 -9.347 8.448 1.00 14.44 N ATOM 1340 CA ALA A 86 -1.114 -9.656 9.106 1.00 0.33 C ATOM 1341 C ALA A 86 -0.270 -8.370 9.335 1.00 22.34 C ATOM 1342 O ALA A 86 0.144 -8.080 10.461 1.00 64.34 O ATOM 1343 CB ALA A 86 -0.328 -10.686 8.272 1.00 32.51 C ATOM 0 H ALA A 86 -2.476 -9.709 7.497 1.00 14.44 H new ATOM 0 HA ALA A 86 -1.326 -10.085 10.085 1.00 0.33 H new ATOM 0 HB1 ALA A 86 0.619 -10.906 8.764 1.00 32.51 H new ATOM 0 HB2 ALA A 86 -0.911 -11.602 8.182 1.00 32.51 H new ATOM 0 HB3 ALA A 86 -0.136 -10.279 7.279 1.00 32.51 H new ATOM 1349 N ILE A 87 -0.024 -7.605 8.249 1.00 34.22 N ATOM 1350 CA ILE A 87 0.667 -6.288 8.320 1.00 55.20 C ATOM 1351 C ILE A 87 -0.376 -5.158 8.536 1.00 33.04 C ATOM 1352 O ILE A 87 -1.446 -5.173 7.912 1.00 0.35 O ATOM 1353 CB ILE A 87 1.508 -6.007 7.009 1.00 64.34 C ATOM 1354 CG1 ILE A 87 2.558 -7.145 6.765 1.00 72.35 C ATOM 1355 CG2 ILE A 87 2.199 -4.612 7.050 1.00 41.24 C ATOM 1356 CD1 ILE A 87 3.388 -6.996 5.491 1.00 42.21 C ATOM 0 H ILE A 87 -0.294 -7.875 7.303 1.00 34.22 H new ATOM 0 HA ILE A 87 1.358 -6.312 9.163 1.00 55.20 H new ATOM 0 HB ILE A 87 0.810 -5.998 6.171 1.00 64.34 H new ATOM 0 HG12 ILE A 87 3.234 -7.184 7.619 1.00 72.35 H new ATOM 0 HG13 ILE A 87 2.034 -8.100 6.730 1.00 72.35 H new ATOM 0 HG21 ILE A 87 2.766 -4.459 6.131 1.00 41.24 H new ATOM 0 HG22 ILE A 87 1.442 -3.833 7.143 1.00 41.24 H new ATOM 0 HG23 ILE A 87 2.874 -4.565 7.905 1.00 41.24 H new ATOM 0 HD11 ILE A 87 4.085 -7.830 5.411 1.00 42.21 H new ATOM 0 HD12 ILE A 87 2.727 -6.991 4.624 1.00 42.21 H new ATOM 0 HD13 ILE A 87 3.946 -6.060 5.527 1.00 42.21 H new ATOM 1368 N THR A 88 -0.057 -4.189 9.423 1.00 21.13 N ATOM 1369 CA THR A 88 -0.958 -3.049 9.734 1.00 5.30 C ATOM 1370 C THR A 88 -0.933 -1.978 8.609 1.00 3.51 C ATOM 1371 O THR A 88 0.074 -1.859 7.891 1.00 72.13 O ATOM 1372 CB THR A 88 -0.570 -2.345 11.084 1.00 4.44 C ATOM 1373 OG1 THR A 88 0.692 -1.681 10.946 1.00 50.03 O ATOM 1374 CG2 THR A 88 -0.507 -3.332 12.267 1.00 74.22 C ATOM 0 H THR A 88 0.822 -4.171 9.940 1.00 21.13 H new ATOM 0 HA THR A 88 -1.958 -3.475 9.819 1.00 5.30 H new ATOM 0 HB THR A 88 -1.354 -1.620 11.303 1.00 4.44 H new ATOM 0 HG1 THR A 88 0.851 -1.115 11.730 1.00 50.03 H new ATOM 0 HG21 THR A 88 -0.235 -2.794 13.175 1.00 74.22 H new ATOM 0 HG22 THR A 88 -1.481 -3.802 12.401 1.00 74.22 H new ATOM 0 HG23 THR A 88 0.240 -4.099 12.062 1.00 74.22 H new ATOM 1382 N PRO A 89 -2.054 -1.192 8.427 1.00 12.12 N ATOM 1383 CA PRO A 89 -2.080 0.000 7.532 1.00 4.13 C ATOM 1384 C PRO A 89 -0.921 1.005 7.786 1.00 72.15 C ATOM 1385 O PRO A 89 -0.446 1.659 6.852 1.00 42.22 O ATOM 1386 CB PRO A 89 -3.460 0.643 7.842 1.00 5.41 C ATOM 1387 CG PRO A 89 -4.323 -0.513 8.247 1.00 50.04 C ATOM 1388 CD PRO A 89 -3.406 -1.443 9.021 1.00 62.12 C ATOM 0 HA PRO A 89 -1.944 -0.282 6.488 1.00 4.13 H new ATOM 0 HB2 PRO A 89 -3.385 1.382 8.640 1.00 5.41 H new ATOM 0 HB3 PRO A 89 -3.865 1.156 6.970 1.00 5.41 H new ATOM 0 HG2 PRO A 89 -5.160 -0.183 8.863 1.00 50.04 H new ATOM 0 HG3 PRO A 89 -4.746 -1.013 7.376 1.00 50.04 H new ATOM 0 HD2 PRO A 89 -3.421 -1.222 10.088 1.00 62.12 H new ATOM 0 HD3 PRO A 89 -3.705 -2.485 8.907 1.00 62.12 H new ATOM 1396 N GLN A 90 -0.480 1.114 9.059 1.00 21.31 N ATOM 1397 CA GLN A 90 0.655 1.985 9.441 1.00 40.23 C ATOM 1398 C GLN A 90 2.004 1.459 8.889 1.00 22.44 C ATOM 1399 O GLN A 90 2.758 2.220 8.279 1.00 42.42 O ATOM 1400 CB GLN A 90 0.747 2.120 10.988 1.00 51.42 C ATOM 1401 CG GLN A 90 1.924 3.005 11.482 1.00 22.14 C ATOM 1402 CD GLN A 90 2.130 2.987 13.003 1.00 74.30 C ATOM 1403 OE1 GLN A 90 1.192 2.839 13.778 1.00 63.42 O ATOM 1404 NE2 GLN A 90 3.365 3.133 13.437 1.00 73.45 N ATOM 0 H GLN A 90 -0.894 0.608 9.842 1.00 21.31 H new ATOM 0 HA GLN A 90 0.465 2.963 8.999 1.00 40.23 H new ATOM 0 HB2 GLN A 90 -0.188 2.538 11.361 1.00 51.42 H new ATOM 0 HB3 GLN A 90 0.848 1.126 11.423 1.00 51.42 H new ATOM 0 HG2 GLN A 90 2.842 2.672 10.998 1.00 22.14 H new ATOM 0 HG3 GLN A 90 1.750 4.032 11.162 1.00 22.14 H new ATOM 0 HE21 GLN A 90 4.128 3.255 12.772 1.00 73.45 H new ATOM 0 HE22 GLN A 90 3.558 3.124 14.439 1.00 73.45 H new ATOM 1413 N GLN A 91 2.279 0.147 9.073 1.00 5.11 N ATOM 1414 CA GLN A 91 3.590 -0.448 8.708 1.00 13.22 C ATOM 1415 C GLN A 91 3.843 -0.404 7.184 1.00 62.05 C ATOM 1416 O GLN A 91 4.907 0.029 6.743 1.00 32.45 O ATOM 1417 CB GLN A 91 3.744 -1.895 9.264 1.00 11.15 C ATOM 1418 CG GLN A 91 3.850 -2.001 10.802 1.00 2.44 C ATOM 1419 CD GLN A 91 4.937 -1.105 11.415 1.00 43.43 C ATOM 1420 OE1 GLN A 91 4.680 0.033 11.813 1.00 30.33 O ATOM 1421 NE2 GLN A 91 6.159 -1.597 11.477 1.00 64.22 N ATOM 0 H GLN A 91 1.616 -0.519 9.470 1.00 5.11 H new ATOM 0 HA GLN A 91 4.355 0.168 9.181 1.00 13.22 H new ATOM 0 HB2 GLN A 91 2.891 -2.487 8.933 1.00 11.15 H new ATOM 0 HB3 GLN A 91 4.634 -2.344 8.823 1.00 11.15 H new ATOM 0 HG2 GLN A 91 2.887 -1.740 11.241 1.00 2.44 H new ATOM 0 HG3 GLN A 91 4.053 -3.037 11.072 1.00 2.44 H new ATOM 0 HE21 GLN A 91 6.346 -2.542 11.141 1.00 64.22 H new ATOM 0 HE22 GLN A 91 6.917 -1.033 11.861 1.00 64.22 H new ATOM 1430 N ILE A 92 2.844 -0.809 6.387 1.00 50.12 N ATOM 1431 CA ILE A 92 2.933 -0.758 4.904 1.00 5.23 C ATOM 1432 C ILE A 92 3.023 0.718 4.375 1.00 71.33 C ATOM 1433 O ILE A 92 3.518 0.963 3.266 1.00 50.52 O ATOM 1434 CB ILE A 92 1.727 -1.542 4.253 1.00 4.04 C ATOM 1435 CG1 ILE A 92 1.867 -1.673 2.694 1.00 72.13 C ATOM 1436 CG2 ILE A 92 0.380 -0.903 4.636 1.00 0.54 C ATOM 1437 CD1 ILE A 92 3.086 -2.463 2.222 1.00 21.13 C ATOM 0 H ILE A 92 1.960 -1.178 6.737 1.00 50.12 H new ATOM 0 HA ILE A 92 3.858 -1.251 4.604 1.00 5.23 H new ATOM 0 HB ILE A 92 1.754 -2.554 4.658 1.00 4.04 H new ATOM 0 HG12 ILE A 92 0.969 -2.150 2.302 1.00 72.13 H new ATOM 0 HG13 ILE A 92 1.911 -0.673 2.262 1.00 72.13 H new ATOM 0 HG21 ILE A 92 -0.433 -1.463 4.174 1.00 0.54 H new ATOM 0 HG22 ILE A 92 0.263 -0.922 5.720 1.00 0.54 H new ATOM 0 HG23 ILE A 92 0.354 0.129 4.286 1.00 0.54 H new ATOM 0 HD11 ILE A 92 3.097 -2.499 1.133 1.00 21.13 H new ATOM 0 HD12 ILE A 92 3.995 -1.977 2.578 1.00 21.13 H new ATOM 0 HD13 ILE A 92 3.038 -3.477 2.618 1.00 21.13 H new ATOM 1449 N ALA A 93 2.571 1.695 5.200 1.00 64.03 N ATOM 1450 CA ALA A 93 2.670 3.149 4.889 1.00 63.34 C ATOM 1451 C ALA A 93 4.064 3.751 5.238 1.00 75.21 C ATOM 1452 O ALA A 93 4.541 4.656 4.539 1.00 60.20 O ATOM 1453 CB ALA A 93 1.560 3.924 5.621 1.00 4.20 C ATOM 0 H ALA A 93 2.128 1.501 6.098 1.00 64.03 H new ATOM 0 HA ALA A 93 2.543 3.251 3.811 1.00 63.34 H new ATOM 0 HB1 ALA A 93 1.642 4.985 5.387 1.00 4.20 H new ATOM 0 HB2 ALA A 93 0.586 3.555 5.299 1.00 4.20 H new ATOM 0 HB3 ALA A 93 1.665 3.781 6.696 1.00 4.20 H new ATOM 1459 N VAL A 94 4.720 3.246 6.309 1.00 32.33 N ATOM 1460 CA VAL A 94 6.008 3.814 6.815 1.00 33.32 C ATOM 1461 C VAL A 94 7.275 3.130 6.207 1.00 43.14 C ATOM 1462 O VAL A 94 8.308 3.793 6.046 1.00 14.51 O ATOM 1463 CB VAL A 94 6.083 3.771 8.394 1.00 20.13 C ATOM 1464 CG1 VAL A 94 4.960 4.620 9.044 1.00 64.31 C ATOM 1465 CG2 VAL A 94 6.053 2.319 8.926 1.00 33.04 C ATOM 0 H VAL A 94 4.384 2.446 6.845 1.00 32.33 H new ATOM 0 HA VAL A 94 6.012 4.852 6.482 1.00 33.32 H new ATOM 0 HB VAL A 94 7.039 4.211 8.678 1.00 20.13 H new ATOM 0 HG11 VAL A 94 5.045 4.566 10.129 1.00 64.31 H new ATOM 0 HG12 VAL A 94 5.057 5.657 8.724 1.00 64.31 H new ATOM 0 HG13 VAL A 94 3.988 4.235 8.736 1.00 64.31 H new ATOM 0 HG21 VAL A 94 6.106 2.329 10.015 1.00 33.04 H new ATOM 0 HG22 VAL A 94 5.128 1.836 8.612 1.00 33.04 H new ATOM 0 HG23 VAL A 94 6.904 1.767 8.526 1.00 33.04 H new ATOM 1475 N MET A 95 7.195 1.817 5.880 1.00 33.55 N ATOM 1476 CA MET A 95 8.368 1.031 5.384 1.00 11.21 C ATOM 1477 C MET A 95 8.941 1.576 4.046 1.00 24.55 C ATOM 1478 O MET A 95 8.198 1.749 3.079 1.00 74.20 O ATOM 1479 CB MET A 95 7.997 -0.473 5.204 1.00 12.11 C ATOM 1480 CG MET A 95 7.769 -1.259 6.502 1.00 14.23 C ATOM 1481 SD MET A 95 7.509 -3.031 6.207 1.00 61.15 S ATOM 1482 CE MET A 95 6.071 -3.047 5.129 1.00 22.53 C ATOM 0 H MET A 95 6.334 1.274 5.948 1.00 33.55 H new ATOM 0 HA MET A 95 9.140 1.136 6.146 1.00 11.21 H new ATOM 0 HB2 MET A 95 7.093 -0.536 4.599 1.00 12.11 H new ATOM 0 HB3 MET A 95 8.793 -0.960 4.640 1.00 12.11 H new ATOM 0 HG2 MET A 95 8.629 -1.126 7.159 1.00 14.23 H new ATOM 0 HG3 MET A 95 6.903 -0.850 7.023 1.00 14.23 H new ATOM 0 HE1 MET A 95 5.794 -4.078 4.908 1.00 22.53 H new ATOM 0 HE2 MET A 95 5.239 -2.546 5.624 1.00 22.53 H new ATOM 0 HE3 MET A 95 6.307 -2.527 4.200 1.00 22.53 H new ATOM 1492 N THR A 96 10.269 1.824 3.998 1.00 51.40 N ATOM 1493 CA THR A 96 10.976 2.222 2.748 1.00 62.42 C ATOM 1494 C THR A 96 11.075 1.033 1.757 1.00 70.14 C ATOM 1495 O THR A 96 10.742 -0.099 2.114 1.00 40.15 O ATOM 1496 CB THR A 96 12.420 2.765 3.031 1.00 2.40 C ATOM 1497 OG1 THR A 96 13.254 1.716 3.553 1.00 63.24 O ATOM 1498 CG2 THR A 96 12.409 3.958 4.009 1.00 41.20 C ATOM 0 H THR A 96 10.880 1.757 4.812 1.00 51.40 H new ATOM 0 HA THR A 96 10.382 3.022 2.305 1.00 62.42 H new ATOM 0 HB THR A 96 12.824 3.116 2.082 1.00 2.40 H new ATOM 0 HG1 THR A 96 14.045 1.613 2.984 1.00 63.24 H new ATOM 0 HG21 THR A 96 13.430 4.301 4.176 1.00 41.20 H new ATOM 0 HG22 THR A 96 11.818 4.770 3.586 1.00 41.20 H new ATOM 0 HG23 THR A 96 11.971 3.647 4.958 1.00 41.20 H new ATOM 1506 N SER A 97 11.545 1.300 0.517 1.00 55.22 N ATOM 1507 CA SER A 97 11.698 0.255 -0.534 1.00 24.15 C ATOM 1508 C SER A 97 12.590 -0.920 -0.057 1.00 24.25 C ATOM 1509 O SER A 97 12.284 -2.086 -0.316 1.00 71.23 O ATOM 1510 CB SER A 97 12.285 0.876 -1.821 1.00 14.41 C ATOM 1511 OG SER A 97 11.439 1.902 -2.325 1.00 31.45 O ATOM 0 H SER A 97 11.827 2.232 0.214 1.00 55.22 H new ATOM 0 HA SER A 97 10.707 -0.147 -0.743 1.00 24.15 H new ATOM 0 HB2 SER A 97 13.274 1.285 -1.613 1.00 14.41 H new ATOM 0 HB3 SER A 97 12.413 0.101 -2.577 1.00 14.41 H new ATOM 0 HG SER A 97 11.833 2.280 -3.139 1.00 31.45 H new ATOM 1517 N GLU A 98 13.651 -0.581 0.692 1.00 64.21 N ATOM 1518 CA GLU A 98 14.633 -1.554 1.245 1.00 62.24 C ATOM 1519 C GLU A 98 13.953 -2.547 2.223 1.00 52.40 C ATOM 1520 O GLU A 98 14.309 -3.731 2.284 1.00 0.53 O ATOM 1521 CB GLU A 98 15.786 -0.804 1.980 1.00 41.34 C ATOM 1522 CG GLU A 98 16.663 0.134 1.104 1.00 13.51 C ATOM 1523 CD GLU A 98 15.902 1.339 0.509 1.00 35.11 C ATOM 1524 OE1 GLU A 98 15.430 2.195 1.286 1.00 34.53 O ATOM 1525 OE2 GLU A 98 15.750 1.429 -0.731 1.00 45.21 O ATOM 0 H GLU A 98 13.862 0.386 0.939 1.00 64.21 H new ATOM 0 HA GLU A 98 15.044 -2.120 0.409 1.00 62.24 H new ATOM 0 HB2 GLU A 98 15.351 -0.213 2.786 1.00 41.34 H new ATOM 0 HB3 GLU A 98 16.436 -1.546 2.444 1.00 41.34 H new ATOM 0 HG2 GLU A 98 17.493 0.504 1.706 1.00 13.51 H new ATOM 0 HG3 GLU A 98 17.095 -0.447 0.289 1.00 13.51 H new ATOM 1532 N GLU A 99 12.958 -2.041 2.971 1.00 44.32 N ATOM 1533 CA GLU A 99 12.153 -2.843 3.919 1.00 42.34 C ATOM 1534 C GLU A 99 11.090 -3.686 3.175 1.00 20.01 C ATOM 1535 O GLU A 99 10.815 -4.837 3.543 1.00 4.05 O ATOM 1536 CB GLU A 99 11.465 -1.907 4.944 1.00 52.34 C ATOM 1537 CG GLU A 99 12.412 -0.934 5.672 1.00 10.32 C ATOM 1538 CD GLU A 99 13.576 -1.632 6.403 1.00 22.13 C ATOM 1539 OE1 GLU A 99 13.319 -2.324 7.414 1.00 12.44 O ATOM 1540 OE2 GLU A 99 14.746 -1.480 5.981 1.00 63.12 O ATOM 0 H GLU A 99 12.685 -1.059 2.938 1.00 44.32 H new ATOM 0 HA GLU A 99 12.821 -3.527 4.442 1.00 42.34 H new ATOM 0 HB2 GLU A 99 10.699 -1.328 4.428 1.00 52.34 H new ATOM 0 HB3 GLU A 99 10.955 -2.519 5.688 1.00 52.34 H new ATOM 0 HG2 GLU A 99 12.820 -0.229 4.948 1.00 10.32 H new ATOM 0 HG3 GLU A 99 11.837 -0.354 6.394 1.00 10.32 H new ATOM 1547 N MET A 100 10.502 -3.089 2.115 1.00 42.21 N ATOM 1548 CA MET A 100 9.461 -3.734 1.275 1.00 75.13 C ATOM 1549 C MET A 100 10.050 -4.802 0.307 1.00 1.20 C ATOM 1550 O MET A 100 9.306 -5.446 -0.447 1.00 3.43 O ATOM 1551 CB MET A 100 8.673 -2.657 0.479 1.00 34.12 C ATOM 1552 CG MET A 100 7.938 -1.619 1.345 1.00 12.22 C ATOM 1553 SD MET A 100 6.767 -0.600 0.408 1.00 54.10 S ATOM 1554 CE MET A 100 7.754 -0.060 -0.994 1.00 5.24 C ATOM 0 H MET A 100 10.735 -2.143 1.814 1.00 42.21 H new ATOM 0 HA MET A 100 8.783 -4.257 1.949 1.00 75.13 H new ATOM 0 HB2 MET A 100 9.366 -2.134 -0.180 1.00 34.12 H new ATOM 0 HB3 MET A 100 7.944 -3.158 -0.158 1.00 34.12 H new ATOM 0 HG2 MET A 100 7.403 -2.135 2.142 1.00 12.22 H new ATOM 0 HG3 MET A 100 8.672 -0.970 1.823 1.00 12.22 H new ATOM 0 HE1 MET A 100 7.184 0.656 -1.586 1.00 5.24 H new ATOM 0 HE2 MET A 100 8.668 0.412 -0.635 1.00 5.24 H new ATOM 0 HE3 MET A 100 8.009 -0.921 -1.612 1.00 5.24 H new ATOM 1564 N ALA A 101 11.391 -4.970 0.343 1.00 62.42 N ATOM 1565 CA ALA A 101 12.110 -6.046 -0.380 1.00 54.00 C ATOM 1566 C ALA A 101 11.876 -7.444 0.256 1.00 50.23 C ATOM 1567 O ALA A 101 12.198 -8.461 -0.366 1.00 14.10 O ATOM 1568 CB ALA A 101 13.621 -5.734 -0.419 1.00 21.14 C ATOM 0 H ALA A 101 12.009 -4.360 0.877 1.00 62.42 H new ATOM 0 HA ALA A 101 11.711 -6.079 -1.394 1.00 54.00 H new ATOM 0 HB1 ALA A 101 14.143 -6.529 -0.952 1.00 21.14 H new ATOM 0 HB2 ALA A 101 13.784 -4.786 -0.932 1.00 21.14 H new ATOM 0 HB3 ALA A 101 14.005 -5.667 0.599 1.00 21.14 H new ATOM 1574 N SER A 102 11.338 -7.469 1.504 1.00 63.25 N ATOM 1575 CA SER A 102 11.097 -8.710 2.291 1.00 14.21 C ATOM 1576 C SER A 102 12.439 -9.423 2.613 1.00 60.04 C ATOM 1577 O SER A 102 12.745 -10.505 2.090 1.00 4.50 O ATOM 1578 CB SER A 102 10.081 -9.659 1.586 1.00 64.34 C ATOM 1579 OG SER A 102 8.822 -9.024 1.371 1.00 41.52 O ATOM 0 H SER A 102 11.057 -6.622 1.997 1.00 63.25 H new ATOM 0 HA SER A 102 10.639 -8.423 3.238 1.00 14.21 H new ATOM 0 HB2 SER A 102 10.491 -9.985 0.630 1.00 64.34 H new ATOM 0 HB3 SER A 102 9.938 -10.553 2.193 1.00 64.34 H new ATOM 0 HG SER A 102 8.750 -8.750 0.433 1.00 41.52 H new ATOM 1585 N ASP A 103 13.233 -8.767 3.483 1.00 44.21 N ATOM 1586 CA ASP A 103 14.605 -9.194 3.859 1.00 44.21 C ATOM 1587 C ASP A 103 14.598 -10.537 4.647 1.00 2.10 C ATOM 1588 O ASP A 103 15.531 -11.340 4.541 1.00 53.42 O ATOM 1589 CB ASP A 103 15.252 -8.057 4.704 1.00 43.33 C ATOM 1590 CG ASP A 103 16.737 -8.293 5.041 1.00 21.31 C ATOM 1591 OD1 ASP A 103 17.606 -7.949 4.211 1.00 43.53 O ATOM 1592 OD2 ASP A 103 17.044 -8.824 6.129 1.00 24.40 O ATOM 0 H ASP A 103 12.939 -7.912 3.954 1.00 44.21 H new ATOM 0 HA ASP A 103 15.188 -9.370 2.955 1.00 44.21 H new ATOM 0 HB2 ASP A 103 15.158 -7.117 4.161 1.00 43.33 H new ATOM 0 HB3 ASP A 103 14.693 -7.946 5.633 1.00 43.33 H new ATOM 1597 N GLU A 104 13.530 -10.758 5.428 1.00 21.13 N ATOM 1598 CA GLU A 104 13.326 -12.003 6.206 1.00 25.03 C ATOM 1599 C GLU A 104 13.075 -13.230 5.285 1.00 71.04 C ATOM 1600 O GLU A 104 13.588 -14.325 5.544 1.00 70.13 O ATOM 1601 CB GLU A 104 12.150 -11.798 7.200 1.00 3.30 C ATOM 1602 CG GLU A 104 10.807 -11.435 6.534 1.00 42.14 C ATOM 1603 CD GLU A 104 9.745 -10.974 7.535 1.00 41.42 C ATOM 1604 OE1 GLU A 104 9.737 -9.769 7.879 1.00 63.51 O ATOM 1605 OE2 GLU A 104 8.946 -11.811 8.008 1.00 10.42 O ATOM 0 H GLU A 104 12.777 -10.080 5.542 1.00 21.13 H new ATOM 0 HA GLU A 104 14.238 -12.216 6.764 1.00 25.03 H new ATOM 0 HB2 GLU A 104 12.018 -12.711 7.781 1.00 3.30 H new ATOM 0 HB3 GLU A 104 12.418 -11.009 7.903 1.00 3.30 H new ATOM 0 HG2 GLU A 104 10.974 -10.646 5.801 1.00 42.14 H new ATOM 0 HG3 GLU A 104 10.432 -12.302 5.990 1.00 42.14 H new ATOM 1612 N LEU A 105 12.332 -13.013 4.176 1.00 44.15 N ATOM 1613 CA LEU A 105 11.946 -14.093 3.228 1.00 71.01 C ATOM 1614 C LEU A 105 13.126 -14.558 2.332 1.00 45.22 C ATOM 1615 O LEU A 105 12.985 -15.499 1.547 1.00 34.24 O ATOM 1616 CB LEU A 105 10.730 -13.642 2.381 1.00 64.53 C ATOM 1617 CG LEU A 105 9.451 -13.260 3.202 1.00 64.12 C ATOM 1618 CD1 LEU A 105 8.252 -12.967 2.278 1.00 54.01 C ATOM 1619 CD2 LEU A 105 9.099 -14.348 4.245 1.00 44.32 C ATOM 0 H LEU A 105 11.983 -12.092 3.911 1.00 44.15 H new ATOM 0 HA LEU A 105 11.662 -14.964 3.819 1.00 71.01 H new ATOM 0 HB2 LEU A 105 11.026 -12.783 1.778 1.00 64.53 H new ATOM 0 HB3 LEU A 105 10.472 -14.444 1.689 1.00 64.53 H new ATOM 0 HG LEU A 105 9.680 -12.344 3.746 1.00 64.12 H new ATOM 0 HD11 LEU A 105 7.383 -12.706 2.882 1.00 54.01 H new ATOM 0 HD12 LEU A 105 8.497 -12.136 1.616 1.00 54.01 H new ATOM 0 HD13 LEU A 105 8.027 -13.852 1.682 1.00 54.01 H new ATOM 0 HD21 LEU A 105 8.207 -14.049 4.796 1.00 44.32 H new ATOM 0 HD22 LEU A 105 8.911 -15.293 3.736 1.00 44.32 H new ATOM 0 HD23 LEU A 105 9.930 -14.469 4.939 1.00 44.32 H new ATOM 1631 N LYS A 106 14.277 -13.872 2.465 1.00 70.30 N ATOM 1632 CA LYS A 106 15.558 -14.295 1.856 1.00 25.24 C ATOM 1633 C LYS A 106 16.079 -15.598 2.495 1.00 64.10 C ATOM 1634 O LYS A 106 16.587 -16.486 1.801 1.00 25.54 O ATOM 1635 CB LYS A 106 16.611 -13.164 2.017 1.00 31.32 C ATOM 1636 CG LYS A 106 16.287 -11.829 1.291 1.00 63.13 C ATOM 1637 CD LYS A 106 16.488 -11.885 -0.251 1.00 21.12 C ATOM 1638 CE LYS A 106 15.296 -12.474 -1.021 1.00 60.54 C ATOM 1639 NZ LYS A 106 15.611 -12.664 -2.459 1.00 4.34 N ATOM 0 H LYS A 106 14.348 -13.006 2.999 1.00 70.30 H new ATOM 0 HA LYS A 106 15.387 -14.487 0.797 1.00 25.24 H new ATOM 0 HB2 LYS A 106 16.734 -12.957 3.080 1.00 31.32 H new ATOM 0 HB3 LYS A 106 17.570 -13.531 1.651 1.00 31.32 H new ATOM 0 HG2 LYS A 106 15.254 -11.553 1.503 1.00 63.13 H new ATOM 0 HG3 LYS A 106 16.918 -11.041 1.701 1.00 63.13 H new ATOM 0 HD2 LYS A 106 16.681 -10.877 -0.618 1.00 21.12 H new ATOM 0 HD3 LYS A 106 17.376 -12.478 -0.469 1.00 21.12 H new ATOM 0 HE2 LYS A 106 15.015 -13.431 -0.581 1.00 60.54 H new ATOM 0 HE3 LYS A 106 14.436 -11.812 -0.921 1.00 60.54 H new ATOM 0 HZ1 LYS A 106 14.783 -13.063 -2.946 1.00 4.34 H new ATOM 0 HZ2 LYS A 106 15.855 -11.747 -2.885 1.00 4.34 H new ATOM 0 HZ3 LYS A 106 16.416 -13.315 -2.555 1.00 4.34 H new ATOM 1653 N GLU A 107 15.954 -15.683 3.827 1.00 72.34 N ATOM 1654 CA GLU A 107 16.414 -16.848 4.609 1.00 31.04 C ATOM 1655 C GLU A 107 15.284 -17.885 4.810 1.00 11.13 C ATOM 1656 O GLU A 107 15.559 -19.058 5.081 1.00 74.41 O ATOM 1657 CB GLU A 107 16.984 -16.367 5.971 1.00 41.51 C ATOM 1658 CG GLU A 107 18.052 -15.248 5.861 1.00 74.23 C ATOM 1659 CD GLU A 107 19.230 -15.592 4.920 1.00 63.10 C ATOM 1660 OE1 GLU A 107 20.131 -16.353 5.330 1.00 32.41 O ATOM 1661 OE2 GLU A 107 19.256 -15.103 3.763 1.00 64.13 O ATOM 0 H GLU A 107 15.532 -14.949 4.396 1.00 72.34 H new ATOM 0 HA GLU A 107 17.204 -17.349 4.050 1.00 31.04 H new ATOM 0 HB2 GLU A 107 16.161 -16.007 6.588 1.00 41.51 H new ATOM 0 HB3 GLU A 107 17.422 -17.220 6.489 1.00 41.51 H new ATOM 0 HG2 GLU A 107 17.572 -14.336 5.507 1.00 74.23 H new ATOM 0 HG3 GLU A 107 18.445 -15.036 6.855 1.00 74.23 H new ATOM 1668 N ILE A 108 14.016 -17.439 4.676 1.00 34.33 N ATOM 1669 CA ILE A 108 12.837 -18.335 4.711 1.00 12.50 C ATOM 1670 C ILE A 108 12.710 -19.082 3.347 1.00 2.41 C ATOM 1671 O ILE A 108 12.071 -18.606 2.398 1.00 60.05 O ATOM 1672 CB ILE A 108 11.507 -17.545 5.063 1.00 65.12 C ATOM 1673 CG1 ILE A 108 11.651 -16.794 6.433 1.00 3.25 C ATOM 1674 CG2 ILE A 108 10.267 -18.479 5.081 1.00 75.22 C ATOM 1675 CD1 ILE A 108 11.861 -17.697 7.643 1.00 71.00 C ATOM 0 H ILE A 108 13.781 -16.456 4.541 1.00 34.33 H new ATOM 0 HA ILE A 108 12.982 -19.068 5.505 1.00 12.50 H new ATOM 0 HB ILE A 108 11.351 -16.808 4.276 1.00 65.12 H new ATOM 0 HG12 ILE A 108 12.491 -16.102 6.365 1.00 3.25 H new ATOM 0 HG13 ILE A 108 10.756 -16.194 6.597 1.00 3.25 H new ATOM 0 HG21 ILE A 108 9.378 -17.898 5.326 1.00 75.22 H new ATOM 0 HG22 ILE A 108 10.142 -18.937 4.100 1.00 75.22 H new ATOM 0 HG23 ILE A 108 10.409 -19.258 5.830 1.00 75.22 H new ATOM 0 HD11 ILE A 108 11.949 -17.086 8.542 1.00 71.00 H new ATOM 0 HD12 ILE A 108 11.011 -18.372 7.745 1.00 71.00 H new ATOM 0 HD13 ILE A 108 12.773 -18.279 7.509 1.00 71.00 H new ATOM 1687 N ARG A 109 13.412 -20.227 3.260 1.00 1.24 N ATOM 1688 CA ARG A 109 13.435 -21.111 2.070 1.00 2.11 C ATOM 1689 C ARG A 109 12.908 -22.519 2.447 1.00 10.05 C ATOM 1690 O ARG A 109 12.822 -22.853 3.634 1.00 41.22 O ATOM 1691 CB ARG A 109 14.872 -21.190 1.488 1.00 63.12 C ATOM 1692 CG ARG A 109 15.465 -19.826 1.072 1.00 4.45 C ATOM 1693 CD ARG A 109 16.824 -19.966 0.373 1.00 4.21 C ATOM 1694 NE ARG A 109 17.458 -18.659 0.106 1.00 12.40 N ATOM 1695 CZ ARG A 109 18.740 -18.460 -0.146 1.00 73.13 C ATOM 1696 NH1 ARG A 109 19.595 -19.443 -0.148 1.00 10.42 N ATOM 1697 NH2 ARG A 109 19.169 -17.260 -0.373 1.00 13.02 N ATOM 0 H ARG A 109 13.990 -20.574 4.025 1.00 1.24 H new ATOM 0 HA ARG A 109 12.782 -20.695 1.302 1.00 2.11 H new ATOM 0 HB2 ARG A 109 15.527 -21.647 2.230 1.00 63.12 H new ATOM 0 HB3 ARG A 109 14.864 -21.850 0.620 1.00 63.12 H new ATOM 0 HG2 ARG A 109 14.768 -19.318 0.406 1.00 4.45 H new ATOM 0 HG3 ARG A 109 15.577 -19.197 1.955 1.00 4.45 H new ATOM 0 HD2 ARG A 109 17.488 -20.569 0.993 1.00 4.21 H new ATOM 0 HD3 ARG A 109 16.692 -20.502 -0.567 1.00 4.21 H new ATOM 0 HE ARG A 109 16.853 -17.838 0.117 1.00 12.40 H new ATOM 0 HH11 ARG A 109 19.280 -20.393 0.048 1.00 10.42 H new ATOM 0 HH12 ARG A 109 20.579 -19.262 -0.346 1.00 10.42 H new ATOM 0 HH21 ARG A 109 18.519 -16.474 -0.357 1.00 13.02 H new ATOM 0 HH22 ARG A 109 20.157 -17.100 -0.568 1.00 13.02 H new ATOM 1711 N LYS A 110 12.569 -23.343 1.422 1.00 60.44 N ATOM 1712 CA LYS A 110 11.919 -24.684 1.592 1.00 31.34 C ATOM 1713 C LYS A 110 10.549 -24.586 2.353 1.00 71.30 C ATOM 1714 O LYS A 110 10.025 -25.593 2.843 1.00 41.43 O ATOM 1715 CB LYS A 110 12.865 -25.729 2.294 1.00 72.02 C ATOM 1716 CG LYS A 110 14.181 -26.105 1.546 1.00 21.43 C ATOM 1717 CD LYS A 110 15.293 -25.031 1.655 1.00 42.11 C ATOM 1718 CE LYS A 110 16.639 -25.486 1.061 1.00 25.11 C ATOM 1719 NZ LYS A 110 17.196 -26.674 1.763 1.00 65.23 N ATOM 0 H LYS A 110 12.737 -23.101 0.445 1.00 60.44 H new ATOM 0 HA LYS A 110 11.719 -25.046 0.583 1.00 31.34 H new ATOM 0 HB2 LYS A 110 13.133 -25.338 3.276 1.00 72.02 H new ATOM 0 HB3 LYS A 110 12.296 -26.644 2.460 1.00 72.02 H new ATOM 0 HG2 LYS A 110 14.558 -27.046 1.945 1.00 21.43 H new ATOM 0 HG3 LYS A 110 13.954 -26.273 0.493 1.00 21.43 H new ATOM 0 HD2 LYS A 110 14.966 -24.126 1.144 1.00 42.11 H new ATOM 0 HD3 LYS A 110 15.436 -24.771 2.704 1.00 42.11 H new ATOM 0 HE2 LYS A 110 16.506 -25.721 0.005 1.00 25.11 H new ATOM 0 HE3 LYS A 110 17.354 -24.665 1.118 1.00 25.11 H new ATOM 0 HZ1 LYS A 110 18.183 -26.819 1.470 1.00 65.23 H new ATOM 0 HZ2 LYS A 110 17.159 -26.519 2.791 1.00 65.23 H new ATOM 0 HZ3 LYS A 110 16.635 -27.515 1.520 1.00 65.23 H new ATOM 1733 N ALA A 111 9.963 -23.371 2.393 1.00 45.53 N ATOM 1734 CA ALA A 111 8.711 -23.069 3.135 1.00 23.24 C ATOM 1735 C ALA A 111 7.448 -23.166 2.235 1.00 73.53 C ATOM 1736 O ALA A 111 6.338 -22.846 2.689 1.00 1.41 O ATOM 1737 CB ALA A 111 8.814 -21.671 3.770 1.00 33.11 C ATOM 0 H ALA A 111 10.346 -22.560 1.907 1.00 45.53 H new ATOM 0 HA ALA A 111 8.598 -23.822 3.915 1.00 23.24 H new ATOM 0 HB1 ALA A 111 7.896 -21.450 4.314 1.00 33.11 H new ATOM 0 HB2 ALA A 111 9.659 -21.645 4.458 1.00 33.11 H new ATOM 0 HB3 ALA A 111 8.961 -20.926 2.988 1.00 33.11 H new ATOM 1743 N MET A 112 7.623 -23.577 0.957 1.00 65.21 N ATOM 1744 CA MET A 112 6.494 -23.855 0.037 1.00 62.20 C ATOM 1745 C MET A 112 5.764 -25.156 0.474 1.00 14.34 C ATOM 1746 O MET A 112 6.167 -26.267 0.096 1.00 61.31 O ATOM 1747 CB MET A 112 6.996 -23.940 -1.439 1.00 55.05 C ATOM 1748 CG MET A 112 5.905 -24.258 -2.486 1.00 21.52 C ATOM 1749 SD MET A 112 4.536 -23.073 -2.488 1.00 71.43 S ATOM 1750 CE MET A 112 5.324 -21.569 -3.070 1.00 33.11 C ATOM 0 H MET A 112 8.541 -23.724 0.538 1.00 65.21 H new ATOM 0 HA MET A 112 5.779 -23.034 0.088 1.00 62.20 H new ATOM 0 HB2 MET A 112 7.464 -22.992 -1.702 1.00 55.05 H new ATOM 0 HB3 MET A 112 7.770 -24.705 -1.500 1.00 55.05 H new ATOM 0 HG2 MET A 112 6.359 -24.278 -3.477 1.00 21.52 H new ATOM 0 HG3 MET A 112 5.510 -25.256 -2.296 1.00 21.52 H new ATOM 0 HE1 MET A 112 4.572 -20.791 -3.200 1.00 33.11 H new ATOM 0 HE2 MET A 112 6.064 -21.240 -2.340 1.00 33.11 H new ATOM 0 HE3 MET A 112 5.815 -21.761 -4.024 1.00 33.11 H new ATOM 1760 N THR A 113 4.723 -24.975 1.323 1.00 21.11 N ATOM 1761 CA THR A 113 3.896 -26.067 1.908 1.00 74.52 C ATOM 1762 C THR A 113 4.752 -27.015 2.823 1.00 21.23 C ATOM 1763 O THR A 113 5.279 -28.047 2.341 1.00 38.06 O ATOM 1764 CB THR A 113 3.103 -26.880 0.809 1.00 24.55 C ATOM 1765 OG1 THR A 113 2.461 -25.975 -0.106 1.00 54.42 O ATOM 1766 CG2 THR A 113 2.031 -27.812 1.421 1.00 70.54 C ATOM 1767 OXT THR A 113 4.909 -26.707 4.026 1.00 38.06 O ATOM 0 H THR A 113 4.426 -24.048 1.628 1.00 21.11 H new ATOM 0 HA THR A 113 3.149 -25.587 2.540 1.00 74.52 H new ATOM 0 HB THR A 113 3.833 -27.500 0.288 1.00 24.55 H new ATOM 0 HG1 THR A 113 1.973 -26.487 -0.785 1.00 54.42 H new ATOM 0 HG21 THR A 113 1.516 -28.347 0.623 1.00 70.54 H new ATOM 0 HG22 THR A 113 2.510 -28.529 2.088 1.00 70.54 H new ATOM 0 HG23 THR A 113 1.311 -27.218 1.984 1.00 70.54 H new TER 1775 THR A 113