USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1012 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 85 GLN : amide:sc= -1.11 X(o=-2.3,f=-2.4) USER MOD Set 1.2: A 87 HIS : no HE2:sc= -1.16 K(o=-2.3,f=-7.5) USER MOD Set 2.1: A 13 SER OG : rot 109:sc= 1.18 USER MOD Set 2.2: A 32 THR OG1 : rot -38:sc= 0.461! USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.0838 X(o=-0.084,f=-0.21) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.0209 X(o=-0.021,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -80:sc= 0.846 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.118 X(o=-0.12,f=-0.12) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -34:sc= -1.28 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 51 THR OG1 : rot 100:sc= 0.718 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0535 USER MOD Single : A 55 SER OG : rot 180:sc= -1.04 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -179:sc= -2.53! (180deg=-2.53!) USER MOD Single : A 59 MET CE :methyl -122:sc= -0.0574 (180deg=-1.47) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 40:sc= 1.03 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 160:sc= -0.0316 (180deg=-0.274) USER MOD Single : A 75 ASN : amide:sc= -0.0547 K(o=-0.055,f=-0.6) USER MOD Single : A 78 ASN : amide:sc= -1.55 X(o=-1.5,f=-1.5) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl 164:sc= -2.48! (180deg=-4.39!) USER MOD Single : A 90 SER OG : rot -82:sc= 0.112 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN : amide:sc= -0.0897 X(o=-0.09,f=-0.0042) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl -142:sc= -0.528 (180deg=-3.97!) USER MOD Single : A 99 ASN :FLIP amide:sc= 1.02 F(o=-0.45,f=1) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 65:sc= 1.18 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot -104:sc= 1.1 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 457 SER OG : rot 85:sc= 0.0886 USER MOD Single : B 460 TYR OH : rot 180:sc= 0 USER MOD Single : B 464 THR OG1 : rot 180:sc= 0 USER MOD Single : B 465 THR OG1 : rot -93:sc= 0.505 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 6.459 18.318 9.100 1.00 0.00 N ATOM 2 CA PRO A 1 5.042 17.898 8.933 1.00 0.00 C ATOM 3 C PRO A 1 4.762 16.564 9.625 1.00 0.00 C ATOM 4 O PRO A 1 5.422 15.562 9.353 1.00 0.00 O ATOM 5 CB PRO A 1 4.768 17.787 7.436 1.00 0.00 C ATOM 6 CG PRO A 1 6.012 18.303 6.793 1.00 0.00 C ATOM 7 CD PRO A 1 7.121 18.118 7.800 1.00 0.00 C ATOM 0 H2 PRO A 1 6.916 17.767 9.827 1.00 0.00 H new ATOM 0 H3 PRO A 1 6.515 19.295 9.387 1.00 0.00 H new ATOM 0 HA PRO A 1 4.386 18.635 9.396 1.00 0.00 H new ATOM 0 HB2 PRO A 1 4.568 16.756 7.144 1.00 0.00 H new ATOM 0 HB3 PRO A 1 3.897 18.375 7.146 1.00 0.00 H new ATOM 0 HG2 PRO A 1 6.228 17.759 5.873 1.00 0.00 H new ATOM 0 HG3 PRO A 1 5.903 19.354 6.524 1.00 0.00 H new ATOM 0 HD2 PRO A 1 7.565 17.125 7.727 1.00 0.00 H new ATOM 0 HD3 PRO A 1 7.924 18.839 7.646 1.00 0.00 H new ATOM 17 N SER A 2 3.780 16.563 10.520 1.00 0.00 N ATOM 18 CA SER A 2 3.413 15.355 11.250 1.00 0.00 C ATOM 19 C SER A 2 2.925 14.270 10.296 1.00 0.00 C ATOM 20 O SER A 2 1.783 14.300 9.837 1.00 0.00 O ATOM 21 CB SER A 2 2.329 15.667 12.283 1.00 0.00 C ATOM 22 OG SER A 2 2.731 16.719 13.143 1.00 0.00 O ATOM 0 H SER A 2 3.224 17.385 10.757 1.00 0.00 H new ATOM 0 HA SER A 2 4.301 14.988 11.765 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.406 15.942 11.774 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.115 14.774 12.871 1.00 0.00 H new ATOM 0 HG SER A 2 2.020 16.900 13.793 1.00 0.00 H new ATOM 28 N HIS A 3 3.798 13.312 10.000 1.00 0.00 N ATOM 29 CA HIS A 3 3.455 12.217 9.100 1.00 0.00 C ATOM 30 C HIS A 3 2.691 11.124 9.840 1.00 0.00 C ATOM 31 O HIS A 3 3.286 10.184 10.367 1.00 0.00 O ATOM 32 CB HIS A 3 4.720 11.633 8.469 1.00 0.00 C ATOM 33 CG HIS A 3 5.530 12.639 7.712 1.00 0.00 C ATOM 34 ND1 HIS A 3 4.971 13.717 7.057 1.00 0.00 N ATOM 35 CD2 HIS A 3 6.866 12.728 7.507 1.00 0.00 C ATOM 36 CE1 HIS A 3 5.928 14.425 6.482 1.00 0.00 C ATOM 37 NE2 HIS A 3 7.086 13.846 6.741 1.00 0.00 N ATOM 0 H HIS A 3 4.748 13.272 10.370 1.00 0.00 H new ATOM 0 HA HIS A 3 2.814 12.614 8.313 1.00 0.00 H new ATOM 0 HB2 HIS A 3 5.339 11.196 9.253 1.00 0.00 H new ATOM 0 HB3 HIS A 3 4.440 10.823 7.795 1.00 0.00 H new ATOM 0 HD2 HIS A 3 7.618 12.047 7.877 1.00 0.00 H new ATOM 0 HE1 HIS A 3 5.787 15.324 5.900 1.00 0.00 H new ATOM 0 HE2 HIS A 3 7.997 14.176 6.423 1.00 0.00 H new ATOM 46 N SER A 4 1.368 11.253 9.874 1.00 0.00 N ATOM 47 CA SER A 4 0.522 10.275 10.549 1.00 0.00 C ATOM 48 C SER A 4 -0.926 10.398 10.087 1.00 0.00 C ATOM 49 O SER A 4 -1.421 11.500 9.849 1.00 0.00 O ATOM 50 CB SER A 4 0.604 10.460 12.065 1.00 0.00 C ATOM 51 OG SER A 4 0.486 11.827 12.420 1.00 0.00 O ATOM 0 H SER A 4 0.859 12.025 9.442 1.00 0.00 H new ATOM 0 HA SER A 4 0.883 9.279 10.292 1.00 0.00 H new ATOM 0 HB2 SER A 4 -0.187 9.886 12.548 1.00 0.00 H new ATOM 0 HB3 SER A 4 1.552 10.067 12.432 1.00 0.00 H new ATOM 0 HG SER A 4 0.540 11.918 13.394 1.00 0.00 H new ATOM 57 N GLY A 5 -1.601 9.260 9.962 1.00 0.00 N ATOM 58 CA GLY A 5 -2.986 9.263 9.528 1.00 0.00 C ATOM 59 C GLY A 5 -3.697 7.963 9.846 1.00 0.00 C ATOM 60 O GLY A 5 -3.090 6.892 9.819 1.00 0.00 O ATOM 0 H GLY A 5 -1.214 8.336 10.153 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -3.512 10.088 10.008 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -3.026 9.442 8.454 1.00 0.00 H new ATOM 64 N ALA A 6 -4.988 8.056 10.149 1.00 0.00 N ATOM 65 CA ALA A 6 -5.784 6.879 10.474 1.00 0.00 C ATOM 66 C ALA A 6 -5.838 5.910 9.298 1.00 0.00 C ATOM 67 O ALA A 6 -6.486 6.179 8.288 1.00 0.00 O ATOM 68 CB ALA A 6 -7.190 7.291 10.884 1.00 0.00 C ATOM 0 H ALA A 6 -5.505 8.935 10.176 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.307 6.368 11.310 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.774 6.403 11.124 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.139 7.939 11.759 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -7.666 7.827 10.063 1.00 0.00 H new ATOM 74 N ALA A 7 -5.151 4.780 9.438 1.00 0.00 N ATOM 75 CA ALA A 7 -5.120 3.769 8.388 1.00 0.00 C ATOM 76 C ALA A 7 -5.561 2.411 8.922 1.00 0.00 C ATOM 77 O ALA A 7 -5.061 1.943 9.944 1.00 0.00 O ATOM 78 CB ALA A 7 -3.725 3.675 7.789 1.00 0.00 C ATOM 0 H ALA A 7 -4.609 4.542 10.268 1.00 0.00 H new ATOM 0 HA ALA A 7 -5.820 4.068 7.607 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -3.715 2.917 7.006 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.446 4.639 7.364 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.012 3.402 8.567 1.00 0.00 H new ATOM 84 N ILE A 8 -6.500 1.782 8.223 1.00 0.00 N ATOM 85 CA ILE A 8 -7.006 0.476 8.628 1.00 0.00 C ATOM 86 C ILE A 8 -6.347 -0.641 7.827 1.00 0.00 C ATOM 87 O ILE A 8 -6.697 -0.879 6.670 1.00 0.00 O ATOM 88 CB ILE A 8 -8.534 0.385 8.454 1.00 0.00 C ATOM 89 CG1 ILE A 8 -9.217 1.589 9.104 1.00 0.00 C ATOM 90 CG2 ILE A 8 -9.060 -0.913 9.049 1.00 0.00 C ATOM 91 CD1 ILE A 8 -9.359 2.777 8.177 1.00 0.00 C ATOM 0 H ILE A 8 -6.925 2.155 7.374 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.761 0.356 9.683 1.00 0.00 H new ATOM 0 HB ILE A 8 -8.763 0.393 7.388 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -10.206 1.291 9.453 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -8.646 1.890 9.982 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -10.141 -0.962 8.918 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -8.595 -1.760 8.544 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.822 -0.949 10.112 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -9.852 3.594 8.705 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.372 3.101 7.847 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -9.956 2.493 7.310 1.00 0.00 H new ATOM 103 N PHE A 9 -5.392 -1.324 8.449 1.00 0.00 N ATOM 104 CA PHE A 9 -4.684 -2.418 7.795 1.00 0.00 C ATOM 105 C PHE A 9 -5.162 -3.767 8.324 1.00 0.00 C ATOM 106 O PHE A 9 -5.400 -3.926 9.521 1.00 0.00 O ATOM 107 CB PHE A 9 -3.175 -2.274 8.006 1.00 0.00 C ATOM 108 CG PHE A 9 -2.396 -2.190 6.724 1.00 0.00 C ATOM 109 CD1 PHE A 9 -2.475 -3.203 5.782 1.00 0.00 C ATOM 110 CD2 PHE A 9 -1.584 -1.098 6.462 1.00 0.00 C ATOM 111 CE1 PHE A 9 -1.759 -3.129 4.602 1.00 0.00 C ATOM 112 CE2 PHE A 9 -0.866 -1.018 5.284 1.00 0.00 C ATOM 113 CZ PHE A 9 -0.954 -2.035 4.353 1.00 0.00 C ATOM 0 H PHE A 9 -5.090 -1.139 9.406 1.00 0.00 H new ATOM 0 HA PHE A 9 -4.898 -2.373 6.727 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.983 -1.379 8.598 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -2.815 -3.124 8.586 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.103 -4.061 5.972 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -1.512 -0.300 7.187 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -1.829 -3.925 3.876 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.237 -0.162 5.091 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.394 -1.974 3.432 1.00 0.00 H new ATOM 123 N GLU A 10 -5.299 -4.735 7.424 1.00 0.00 N ATOM 124 CA GLU A 10 -5.748 -6.071 7.799 1.00 0.00 C ATOM 125 C GLU A 10 -7.156 -6.028 8.385 1.00 0.00 C ATOM 126 O GLU A 10 -7.499 -6.821 9.261 1.00 0.00 O ATOM 127 CB GLU A 10 -4.782 -6.692 8.809 1.00 0.00 C ATOM 128 CG GLU A 10 -3.337 -6.712 8.336 1.00 0.00 C ATOM 129 CD GLU A 10 -2.628 -8.006 8.683 1.00 0.00 C ATOM 130 OE1 GLU A 10 -3.284 -9.068 8.657 1.00 0.00 O ATOM 131 OE2 GLU A 10 -1.416 -7.957 8.981 1.00 0.00 O ATOM 0 H GLU A 10 -5.105 -4.619 6.429 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.767 -6.686 6.899 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.842 -6.137 9.745 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.100 -7.712 9.023 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.310 -6.565 7.256 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.800 -5.876 8.785 1.00 0.00 H new ATOM 138 N LYS A 11 -7.968 -5.096 7.894 1.00 0.00 N ATOM 139 CA LYS A 11 -9.340 -4.950 8.368 1.00 0.00 C ATOM 140 C LYS A 11 -9.370 -4.576 9.847 1.00 0.00 C ATOM 141 O LYS A 11 -10.304 -4.926 10.567 1.00 0.00 O ATOM 142 CB LYS A 11 -10.122 -6.246 8.142 1.00 0.00 C ATOM 143 CG LYS A 11 -10.149 -6.694 6.691 1.00 0.00 C ATOM 144 CD LYS A 11 -11.100 -5.845 5.863 1.00 0.00 C ATOM 145 CE LYS A 11 -12.538 -6.316 6.010 1.00 0.00 C ATOM 146 NZ LYS A 11 -13.361 -5.965 4.820 1.00 0.00 N ATOM 0 H LYS A 11 -7.699 -4.431 7.169 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.809 -4.147 7.800 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.682 -7.037 8.750 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -11.146 -6.108 8.490 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.145 -6.632 6.271 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.453 -7.739 6.638 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -11.024 -4.803 6.174 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.808 -5.887 4.814 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.553 -7.396 6.156 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.978 -5.867 6.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -14.335 -6.303 4.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -13.368 -4.933 4.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.956 -6.414 3.973 1.00 0.00 H new ATOM 160 N VAL A 12 -8.343 -3.859 10.293 1.00 0.00 N ATOM 161 CA VAL A 12 -8.253 -3.436 11.685 1.00 0.00 C ATOM 162 C VAL A 12 -8.037 -1.930 11.785 1.00 0.00 C ATOM 163 O VAL A 12 -7.236 -1.357 11.047 1.00 0.00 O ATOM 164 CB VAL A 12 -7.110 -4.159 12.423 1.00 0.00 C ATOM 165 CG1 VAL A 12 -7.110 -3.800 13.901 1.00 0.00 C ATOM 166 CG2 VAL A 12 -7.225 -5.663 12.234 1.00 0.00 C ATOM 0 H VAL A 12 -7.562 -3.559 9.710 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.199 -3.699 12.158 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.163 -3.830 11.996 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.295 -4.322 14.402 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.976 -2.724 14.014 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.059 -4.096 14.347 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.410 -6.159 12.761 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.179 -6.008 12.633 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.168 -5.902 11.172 1.00 0.00 H new ATOM 176 N SER A 13 -8.756 -1.296 12.704 1.00 0.00 N ATOM 177 CA SER A 13 -8.644 0.145 12.902 1.00 0.00 C ATOM 178 C SER A 13 -7.339 0.497 13.608 1.00 0.00 C ATOM 179 O SER A 13 -7.079 0.035 14.719 1.00 0.00 O ATOM 180 CB SER A 13 -9.833 0.664 13.712 1.00 0.00 C ATOM 181 OG SER A 13 -9.905 0.029 14.977 1.00 0.00 O ATOM 0 H SER A 13 -9.423 -1.756 13.324 1.00 0.00 H new ATOM 0 HA SER A 13 -8.646 0.623 11.922 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.742 1.742 13.847 1.00 0.00 H new ATOM 0 HB3 SER A 13 -10.757 0.489 13.161 1.00 0.00 H new ATOM 0 HG SER A 13 -9.651 0.666 15.678 1.00 0.00 H new ATOM 187 N GLY A 14 -6.522 1.317 12.956 1.00 0.00 N ATOM 188 CA GLY A 14 -5.254 1.717 13.536 1.00 0.00 C ATOM 189 C GLY A 14 -4.705 2.984 12.911 1.00 0.00 C ATOM 190 O GLY A 14 -5.229 3.467 11.907 1.00 0.00 O ATOM 0 H GLY A 14 -6.716 1.712 12.036 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.380 1.869 14.608 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.531 0.911 13.412 1.00 0.00 H new ATOM 194 N ILE A 15 -3.647 3.525 13.506 1.00 0.00 N ATOM 195 CA ILE A 15 -3.026 4.743 13.001 1.00 0.00 C ATOM 196 C ILE A 15 -1.668 4.448 12.373 1.00 0.00 C ATOM 197 O ILE A 15 -0.885 3.663 12.907 1.00 0.00 O ATOM 198 CB ILE A 15 -2.844 5.789 14.119 1.00 0.00 C ATOM 199 CG1 ILE A 15 -4.120 5.906 14.955 1.00 0.00 C ATOM 200 CG2 ILE A 15 -2.466 7.138 13.526 1.00 0.00 C ATOM 201 CD1 ILE A 15 -5.346 6.257 14.141 1.00 0.00 C ATOM 0 H ILE A 15 -3.202 3.139 14.339 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.696 5.146 12.242 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.035 5.462 14.772 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.294 4.962 15.471 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.973 6.666 15.722 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.341 7.866 14.328 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.531 7.043 12.973 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.254 7.473 12.852 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.213 6.323 14.799 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.192 7.216 13.646 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.518 5.485 13.391 1.00 0.00 H new ATOM 213 N ILE A 16 -1.396 5.081 11.237 1.00 0.00 N ATOM 214 CA ILE A 16 -0.133 4.884 10.538 1.00 0.00 C ATOM 215 C ILE A 16 0.826 6.043 10.807 1.00 0.00 C ATOM 216 O ILE A 16 0.405 7.194 10.921 1.00 0.00 O ATOM 217 CB ILE A 16 -0.355 4.717 9.013 1.00 0.00 C ATOM 218 CG1 ILE A 16 0.538 3.604 8.465 1.00 0.00 C ATOM 219 CG2 ILE A 16 -0.100 6.021 8.264 1.00 0.00 C ATOM 220 CD1 ILE A 16 -0.146 2.734 7.433 1.00 0.00 C ATOM 0 H ILE A 16 -2.033 5.734 10.781 1.00 0.00 H new ATOM 0 HA ILE A 16 0.314 3.966 10.921 1.00 0.00 H new ATOM 0 HB ILE A 16 -1.398 4.443 8.856 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.428 4.049 8.021 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.873 2.978 9.292 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.265 5.866 7.198 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.781 6.790 8.629 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.929 6.340 8.429 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.546 1.966 7.088 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -1.021 2.260 7.879 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.457 3.348 6.588 1.00 0.00 H new ATOM 232 N ALA A 17 2.114 5.731 10.908 1.00 0.00 N ATOM 233 CA ALA A 17 3.126 6.748 11.163 1.00 0.00 C ATOM 234 C ALA A 17 4.399 6.468 10.372 1.00 0.00 C ATOM 235 O ALA A 17 5.008 5.408 10.511 1.00 0.00 O ATOM 236 CB ALA A 17 3.434 6.824 12.651 1.00 0.00 C ATOM 0 H ALA A 17 2.481 4.783 10.817 1.00 0.00 H new ATOM 0 HA ALA A 17 2.730 7.709 10.835 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.192 7.588 12.827 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.527 7.080 13.198 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.805 5.859 12.996 1.00 0.00 H new ATOM 242 N ILE A 18 4.795 7.427 9.541 1.00 0.00 N ATOM 243 CA ILE A 18 5.996 7.284 8.728 1.00 0.00 C ATOM 244 C ILE A 18 7.210 7.881 9.433 1.00 0.00 C ATOM 245 O ILE A 18 7.143 8.982 9.979 1.00 0.00 O ATOM 246 CB ILE A 18 5.830 7.962 7.355 1.00 0.00 C ATOM 247 CG1 ILE A 18 4.515 7.530 6.704 1.00 0.00 C ATOM 248 CG2 ILE A 18 7.009 7.629 6.453 1.00 0.00 C ATOM 249 CD1 ILE A 18 4.273 8.163 5.351 1.00 0.00 C ATOM 0 H ILE A 18 4.302 8.311 9.413 1.00 0.00 H new ATOM 0 HA ILE A 18 6.152 6.215 8.580 1.00 0.00 H new ATOM 0 HB ILE A 18 5.804 9.042 7.501 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.513 6.446 6.594 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.689 7.785 7.368 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.877 8.116 5.487 1.00 0.00 H new ATOM 0 HG22 ILE A 18 7.931 7.983 6.914 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.065 6.550 6.311 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.323 7.811 4.949 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.243 9.247 5.457 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.079 7.887 4.671 1.00 0.00 H new ATOM 261 N ASN A 19 8.317 7.146 9.416 1.00 0.00 N ATOM 262 CA ASN A 19 9.546 7.603 10.054 1.00 0.00 C ATOM 263 C ASN A 19 10.609 7.936 9.012 1.00 0.00 C ATOM 264 O ASN A 19 11.006 7.081 8.221 1.00 0.00 O ATOM 265 CB ASN A 19 10.074 6.535 11.014 1.00 0.00 C ATOM 266 CG ASN A 19 9.482 6.663 12.404 1.00 0.00 C ATOM 267 OD1 ASN A 19 10.197 6.902 13.377 1.00 0.00 O ATOM 268 ND2 ASN A 19 8.167 6.504 12.503 1.00 0.00 N ATOM 0 H ASN A 19 8.388 6.232 8.968 1.00 0.00 H new ATOM 0 HA ASN A 19 9.319 8.508 10.617 1.00 0.00 H new ATOM 0 HB2 ASN A 19 9.846 5.547 10.615 1.00 0.00 H new ATOM 0 HB3 ASN A 19 11.160 6.611 11.076 1.00 0.00 H new ATOM 0 HD21 ASN A 19 7.711 6.579 13.412 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.613 6.307 11.670 1.00 0.00 H new ATOM 275 N GLU A 20 11.065 9.184 9.017 1.00 0.00 N ATOM 276 CA GLU A 20 12.082 9.629 8.072 1.00 0.00 C ATOM 277 C GLU A 20 13.452 9.704 8.739 1.00 0.00 C ATOM 278 O GLU A 20 14.296 10.513 8.356 1.00 0.00 O ATOM 279 CB GLU A 20 11.708 10.996 7.495 1.00 0.00 C ATOM 280 CG GLU A 20 10.799 10.914 6.279 1.00 0.00 C ATOM 281 CD GLU A 20 11.177 11.911 5.201 1.00 0.00 C ATOM 282 OE1 GLU A 20 12.382 12.208 5.063 1.00 0.00 O ATOM 283 OE2 GLU A 20 10.267 12.394 4.494 1.00 0.00 O ATOM 0 H GLU A 20 10.746 9.905 9.665 1.00 0.00 H new ATOM 0 HA GLU A 20 12.132 8.901 7.263 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.215 11.585 8.268 1.00 0.00 H new ATOM 0 HB3 GLU A 20 12.619 11.528 7.222 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.840 9.906 5.867 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.769 11.091 6.587 1.00 0.00 H new ATOM 290 N ASP A 21 13.666 8.852 9.737 1.00 0.00 N ATOM 291 CA ASP A 21 14.935 8.821 10.456 1.00 0.00 C ATOM 292 C ASP A 21 15.970 8.003 9.691 1.00 0.00 C ATOM 293 O ASP A 21 17.167 8.284 9.751 1.00 0.00 O ATOM 294 CB ASP A 21 14.738 8.237 11.856 1.00 0.00 C ATOM 295 CG ASP A 21 14.402 9.300 12.884 1.00 0.00 C ATOM 296 OD1 ASP A 21 13.513 10.133 12.608 1.00 0.00 O ATOM 297 OD2 ASP A 21 15.029 9.300 13.964 1.00 0.00 O ATOM 0 H ASP A 21 12.978 8.175 10.066 1.00 0.00 H new ATOM 0 HA ASP A 21 15.300 9.844 10.546 1.00 0.00 H new ATOM 0 HB2 ASP A 21 13.939 7.496 11.829 1.00 0.00 H new ATOM 0 HB3 ASP A 21 15.645 7.715 12.160 1.00 0.00 H new ATOM 302 N VAL A 22 15.500 6.989 8.972 1.00 0.00 N ATOM 303 CA VAL A 22 16.381 6.128 8.194 1.00 0.00 C ATOM 304 C VAL A 22 16.234 6.406 6.700 1.00 0.00 C ATOM 305 O VAL A 22 15.158 6.779 6.232 1.00 0.00 O ATOM 306 CB VAL A 22 16.097 4.638 8.477 1.00 0.00 C ATOM 307 CG1 VAL A 22 14.722 4.240 7.962 1.00 0.00 C ATOM 308 CG2 VAL A 22 17.181 3.755 7.874 1.00 0.00 C ATOM 0 H VAL A 22 14.512 6.744 8.912 1.00 0.00 H new ATOM 0 HA VAL A 22 17.404 6.351 8.496 1.00 0.00 H new ATOM 0 HB VAL A 22 16.106 4.492 9.557 1.00 0.00 H new ATOM 0 HG11 VAL A 22 14.546 3.185 8.173 1.00 0.00 H new ATOM 0 HG12 VAL A 22 13.960 4.842 8.457 1.00 0.00 H new ATOM 0 HG13 VAL A 22 14.674 4.407 6.886 1.00 0.00 H new ATOM 0 HG21 VAL A 22 16.959 2.709 8.087 1.00 0.00 H new ATOM 0 HG22 VAL A 22 17.215 3.906 6.795 1.00 0.00 H new ATOM 0 HG23 VAL A 22 18.146 4.016 8.308 1.00 0.00 H new ATOM 318 N SER A 23 17.324 6.232 5.958 1.00 0.00 N ATOM 319 CA SER A 23 17.321 6.474 4.516 1.00 0.00 C ATOM 320 C SER A 23 16.127 5.800 3.837 1.00 0.00 C ATOM 321 O SER A 23 15.250 6.476 3.300 1.00 0.00 O ATOM 322 CB SER A 23 18.628 5.981 3.892 1.00 0.00 C ATOM 323 OG SER A 23 19.606 7.006 3.877 1.00 0.00 O ATOM 0 H SER A 23 18.222 5.924 6.331 1.00 0.00 H new ATOM 0 HA SER A 23 17.233 7.549 4.360 1.00 0.00 H new ATOM 0 HB2 SER A 23 19.002 5.125 4.454 1.00 0.00 H new ATOM 0 HB3 SER A 23 18.442 5.637 2.875 1.00 0.00 H new ATOM 0 HG SER A 23 20.432 6.664 3.475 1.00 0.00 H new ATOM 329 N PRO A 24 16.074 4.456 3.851 1.00 0.00 N ATOM 330 CA PRO A 24 14.976 3.703 3.231 1.00 0.00 C ATOM 331 C PRO A 24 13.614 4.057 3.824 1.00 0.00 C ATOM 332 O PRO A 24 12.577 3.774 3.225 1.00 0.00 O ATOM 333 CB PRO A 24 15.323 2.237 3.528 1.00 0.00 C ATOM 334 CG PRO A 24 16.303 2.287 4.650 1.00 0.00 C ATOM 335 CD PRO A 24 17.069 3.565 4.466 1.00 0.00 C ATOM 0 HA PRO A 24 14.889 3.926 2.168 1.00 0.00 H new ATOM 0 HB2 PRO A 24 14.434 1.671 3.806 1.00 0.00 H new ATOM 0 HB3 PRO A 24 15.751 1.749 2.653 1.00 0.00 H new ATOM 0 HG2 PRO A 24 15.795 2.271 5.614 1.00 0.00 H new ATOM 0 HG3 PRO A 24 16.969 1.425 4.626 1.00 0.00 H new ATOM 0 HD2 PRO A 24 17.433 3.959 5.415 1.00 0.00 H new ATOM 0 HD3 PRO A 24 17.939 3.426 3.824 1.00 0.00 H new ATOM 343 N ALA A 25 13.622 4.677 5.001 1.00 0.00 N ATOM 344 CA ALA A 25 12.384 5.065 5.668 1.00 0.00 C ATOM 345 C ALA A 25 11.553 3.840 6.035 1.00 0.00 C ATOM 346 O ALA A 25 11.873 2.720 5.637 1.00 0.00 O ATOM 347 CB ALA A 25 11.579 6.007 4.785 1.00 0.00 C ATOM 0 H ALA A 25 14.471 4.921 5.511 1.00 0.00 H new ATOM 0 HA ALA A 25 12.645 5.586 6.590 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.658 6.287 5.297 1.00 0.00 H new ATOM 0 HB2 ALA A 25 12.166 6.902 4.578 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.335 5.508 3.847 1.00 0.00 H new ATOM 353 N GLU A 26 10.486 4.059 6.798 1.00 0.00 N ATOM 354 CA GLU A 26 9.613 2.969 7.217 1.00 0.00 C ATOM 355 C GLU A 26 8.246 3.493 7.644 1.00 0.00 C ATOM 356 O GLU A 26 8.129 4.602 8.167 1.00 0.00 O ATOM 357 CB GLU A 26 10.254 2.189 8.367 1.00 0.00 C ATOM 358 CG GLU A 26 11.323 1.208 7.916 1.00 0.00 C ATOM 359 CD GLU A 26 11.691 0.209 8.996 1.00 0.00 C ATOM 360 OE1 GLU A 26 12.047 0.645 10.111 1.00 0.00 O ATOM 361 OE2 GLU A 26 11.623 -1.008 8.727 1.00 0.00 O ATOM 0 H GLU A 26 10.206 4.979 7.138 1.00 0.00 H new ATOM 0 HA GLU A 26 9.474 2.303 6.365 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.694 2.894 9.072 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.477 1.645 8.904 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.970 0.672 7.035 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.214 1.760 7.618 1.00 0.00 H new ATOM 368 N LEU A 27 7.215 2.686 7.419 1.00 0.00 N ATOM 369 CA LEU A 27 5.852 3.060 7.780 1.00 0.00 C ATOM 370 C LEU A 27 5.335 2.178 8.913 1.00 0.00 C ATOM 371 O LEU A 27 5.223 0.961 8.764 1.00 0.00 O ATOM 372 CB LEU A 27 4.933 2.943 6.561 1.00 0.00 C ATOM 373 CG LEU A 27 3.447 3.168 6.845 1.00 0.00 C ATOM 374 CD1 LEU A 27 2.738 3.681 5.600 1.00 0.00 C ATOM 375 CD2 LEU A 27 2.799 1.882 7.342 1.00 0.00 C ATOM 0 H LEU A 27 7.298 1.766 6.987 1.00 0.00 H new ATOM 0 HA LEU A 27 5.857 4.095 8.122 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.257 3.664 5.811 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.058 1.952 6.125 1.00 0.00 H new ATOM 0 HG LEU A 27 3.354 3.922 7.626 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.682 3.835 5.820 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.186 4.625 5.289 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.838 2.950 4.797 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.742 2.060 7.539 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.901 1.106 6.583 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.290 1.558 8.260 1.00 0.00 H new ATOM 387 N THR A 28 5.023 2.799 10.046 1.00 0.00 N ATOM 388 CA THR A 28 4.520 2.069 11.203 1.00 0.00 C ATOM 389 C THR A 28 2.999 2.139 11.274 1.00 0.00 C ATOM 390 O THR A 28 2.395 3.140 10.891 1.00 0.00 O ATOM 391 CB THR A 28 5.128 2.629 12.490 1.00 0.00 C ATOM 392 OG1 THR A 28 6.472 3.025 12.279 1.00 0.00 O ATOM 393 CG2 THR A 28 5.116 1.642 13.637 1.00 0.00 C ATOM 0 H THR A 28 5.110 3.805 10.187 1.00 0.00 H new ATOM 0 HA THR A 28 4.812 1.024 11.095 1.00 0.00 H new ATOM 0 HB THR A 28 4.502 3.480 12.758 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.843 3.382 13.113 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.561 2.103 14.519 1.00 0.00 H new ATOM 0 HG22 THR A 28 4.088 1.354 13.858 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.690 0.757 13.362 1.00 0.00 H new ATOM 401 N TRP A 29 2.385 1.068 11.768 1.00 0.00 N ATOM 402 CA TRP A 29 0.933 1.007 11.890 1.00 0.00 C ATOM 403 C TRP A 29 0.528 0.317 13.190 1.00 0.00 C ATOM 404 O TRP A 29 0.682 -0.896 13.335 1.00 0.00 O ATOM 405 CB TRP A 29 0.331 0.270 10.689 1.00 0.00 C ATOM 406 CG TRP A 29 -1.135 -0.010 10.829 1.00 0.00 C ATOM 407 CD1 TRP A 29 -2.154 0.896 10.761 1.00 0.00 C ATOM 408 CD2 TRP A 29 -1.746 -1.284 11.063 1.00 0.00 C ATOM 409 NE1 TRP A 29 -3.360 0.264 10.939 1.00 0.00 N ATOM 410 CE2 TRP A 29 -3.136 -1.075 11.126 1.00 0.00 C ATOM 411 CE3 TRP A 29 -1.252 -2.582 11.225 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -4.036 -2.116 11.344 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -2.146 -3.613 11.441 1.00 0.00 C ATOM 414 CH2 TRP A 29 -3.525 -3.375 11.498 1.00 0.00 C ATOM 0 H TRP A 29 2.871 0.231 12.090 1.00 0.00 H new ATOM 0 HA TRP A 29 0.547 2.026 11.908 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.495 0.864 9.790 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.861 -0.672 10.549 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.030 1.955 10.592 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.274 0.717 10.933 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.190 -2.775 11.182 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -5.100 -1.935 11.390 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.775 -4.619 11.568 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -4.198 -4.202 11.667 1.00 0.00 H new ATOM 425 N ARG A 30 0.007 1.098 14.130 1.00 0.00 N ATOM 426 CA ARG A 30 -0.423 0.564 15.417 1.00 0.00 C ATOM 427 C ARG A 30 -1.944 0.580 15.531 1.00 0.00 C ATOM 428 O ARG A 30 -2.592 1.565 15.176 1.00 0.00 O ATOM 429 CB ARG A 30 0.194 1.371 16.561 1.00 0.00 C ATOM 430 CG ARG A 30 -0.246 2.826 16.585 1.00 0.00 C ATOM 431 CD ARG A 30 0.324 3.562 17.787 1.00 0.00 C ATOM 432 NE ARG A 30 -0.172 3.018 19.049 1.00 0.00 N ATOM 433 CZ ARG A 30 0.395 2.002 19.697 1.00 0.00 C ATOM 434 NH1 ARG A 30 1.479 1.411 19.208 1.00 0.00 N ATOM 435 NH2 ARG A 30 -0.124 1.574 20.840 1.00 0.00 N ATOM 0 H ARG A 30 -0.128 2.104 14.025 1.00 0.00 H new ATOM 0 HA ARG A 30 -0.081 -0.469 15.486 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.072 0.904 17.509 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.280 1.330 16.479 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.077 3.320 15.668 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.335 2.877 16.608 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.412 3.499 17.768 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.065 4.619 17.721 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.004 3.443 19.459 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.884 1.735 18.329 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.907 0.634 19.711 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.957 2.023 21.222 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.309 0.796 21.337 1.00 0.00 H new ATOM 449 N SER A 31 -2.507 -0.516 16.027 1.00 0.00 N ATOM 450 CA SER A 31 -3.953 -0.627 16.186 1.00 0.00 C ATOM 451 C SER A 31 -4.486 0.472 17.100 1.00 0.00 C ATOM 452 O SER A 31 -3.836 0.854 18.073 1.00 0.00 O ATOM 453 CB SER A 31 -4.321 -2.000 16.752 1.00 0.00 C ATOM 454 OG SER A 31 -3.271 -2.522 17.548 1.00 0.00 O ATOM 0 H SER A 31 -1.985 -1.340 16.326 1.00 0.00 H new ATOM 0 HA SER A 31 -4.411 -0.512 15.204 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.229 -1.919 17.350 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.538 -2.688 15.934 1.00 0.00 H new ATOM 0 HG SER A 31 -2.581 -2.907 16.968 1.00 0.00 H new ATOM 460 N THR A 32 -5.673 0.977 16.780 1.00 0.00 N ATOM 461 CA THR A 32 -6.294 2.033 17.572 1.00 0.00 C ATOM 462 C THR A 32 -6.494 1.585 19.016 1.00 0.00 C ATOM 463 O THR A 32 -5.909 2.153 19.939 1.00 0.00 O ATOM 464 CB THR A 32 -7.637 2.435 16.961 1.00 0.00 C ATOM 465 OG1 THR A 32 -8.323 1.299 16.465 1.00 0.00 O ATOM 466 CG2 THR A 32 -7.505 3.424 15.822 1.00 0.00 C ATOM 0 H THR A 32 -6.224 0.672 15.978 1.00 0.00 H new ATOM 0 HA THR A 32 -5.627 2.895 17.567 1.00 0.00 H new ATOM 0 HB THR A 32 -8.191 2.909 17.771 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.681 0.681 16.057 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.494 3.667 15.434 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.024 4.333 16.183 1.00 0.00 H new ATOM 0 HG23 THR A 32 -6.901 2.985 15.027 1.00 0.00 H new ATOM 474 N ASP A 33 -7.324 0.565 19.205 1.00 0.00 N ATOM 475 CA ASP A 33 -7.602 0.040 20.537 1.00 0.00 C ATOM 476 C ASP A 33 -7.295 -1.452 20.610 1.00 0.00 C ATOM 477 O ASP A 33 -7.935 -2.192 21.357 1.00 0.00 O ATOM 478 CB ASP A 33 -9.064 0.291 20.912 1.00 0.00 C ATOM 479 CG ASP A 33 -9.253 0.489 22.403 1.00 0.00 C ATOM 480 OD1 ASP A 33 -8.538 1.332 22.985 1.00 0.00 O ATOM 481 OD2 ASP A 33 -10.114 -0.199 22.989 1.00 0.00 O ATOM 0 H ASP A 33 -7.817 0.085 18.452 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.958 0.559 21.246 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.426 1.172 20.383 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.671 -0.551 20.580 1.00 0.00 H new ATOM 486 N GLY A 34 -6.311 -1.887 19.829 1.00 0.00 N ATOM 487 CA GLY A 34 -5.936 -3.289 19.820 1.00 0.00 C ATOM 488 C GLY A 34 -4.490 -3.505 20.221 1.00 0.00 C ATOM 489 O GLY A 34 -3.873 -2.635 20.834 1.00 0.00 O ATOM 0 H GLY A 34 -5.767 -1.294 19.203 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.585 -3.840 20.501 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.099 -3.699 18.823 1.00 0.00 H new ATOM 493 N ASP A 35 -3.950 -4.669 19.873 1.00 0.00 N ATOM 494 CA ASP A 35 -2.567 -4.997 20.201 1.00 0.00 C ATOM 495 C ASP A 35 -1.840 -5.566 18.987 1.00 0.00 C ATOM 496 O ASP A 35 -0.940 -6.395 19.123 1.00 0.00 O ATOM 497 CB ASP A 35 -2.519 -6.000 21.355 1.00 0.00 C ATOM 498 CG ASP A 35 -2.642 -5.329 22.709 1.00 0.00 C ATOM 499 OD1 ASP A 35 -3.134 -4.182 22.762 1.00 0.00 O ATOM 500 OD2 ASP A 35 -2.244 -5.949 23.718 1.00 0.00 O ATOM 0 H ASP A 35 -4.448 -5.400 19.365 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.064 -4.079 20.505 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.325 -6.724 21.237 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.582 -6.555 21.311 1.00 0.00 H new ATOM 505 N LYS A 36 -2.237 -5.117 17.801 1.00 0.00 N ATOM 506 CA LYS A 36 -1.623 -5.581 16.563 1.00 0.00 C ATOM 507 C LYS A 36 -0.959 -4.427 15.818 1.00 0.00 C ATOM 508 O LYS A 36 -1.621 -3.467 15.425 1.00 0.00 O ATOM 509 CB LYS A 36 -2.671 -6.246 15.668 1.00 0.00 C ATOM 510 CG LYS A 36 -2.169 -7.500 14.971 1.00 0.00 C ATOM 511 CD LYS A 36 -2.291 -8.722 15.866 1.00 0.00 C ATOM 512 CE LYS A 36 -2.698 -9.954 15.075 1.00 0.00 C ATOM 513 NZ LYS A 36 -3.664 -10.803 15.826 1.00 0.00 N ATOM 0 H LYS A 36 -2.982 -4.432 17.671 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.856 -6.312 16.819 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.543 -6.500 16.271 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -3.001 -5.530 14.916 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.737 -7.661 14.055 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.127 -7.363 14.680 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.339 -8.906 16.364 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.027 -8.530 16.647 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.144 -9.647 14.129 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.811 -10.540 14.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.916 -11.633 15.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.230 -11.118 16.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.521 -10.252 16.034 1.00 0.00 H new ATOM 527 N VAL A 37 0.352 -4.529 15.628 1.00 0.00 N ATOM 528 CA VAL A 37 1.105 -3.494 14.931 1.00 0.00 C ATOM 529 C VAL A 37 2.015 -4.100 13.866 1.00 0.00 C ATOM 530 O VAL A 37 2.774 -5.030 14.140 1.00 0.00 O ATOM 531 CB VAL A 37 1.955 -2.660 15.912 1.00 0.00 C ATOM 532 CG1 VAL A 37 3.000 -3.530 16.594 1.00 0.00 C ATOM 533 CG2 VAL A 37 2.610 -1.490 15.193 1.00 0.00 C ATOM 0 H VAL A 37 0.915 -5.318 15.947 1.00 0.00 H new ATOM 0 HA VAL A 37 0.377 -2.840 14.451 1.00 0.00 H new ATOM 0 HB VAL A 37 1.295 -2.260 16.681 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.588 -2.921 17.281 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.504 -4.327 17.148 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.658 -3.966 15.842 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.205 -0.914 15.902 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.255 -1.866 14.399 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.840 -0.850 14.762 1.00 0.00 H new ATOM 543 N HIS A 38 1.933 -3.567 12.652 1.00 0.00 N ATOM 544 CA HIS A 38 2.748 -4.055 11.545 1.00 0.00 C ATOM 545 C HIS A 38 3.614 -2.938 10.973 1.00 0.00 C ATOM 546 O HIS A 38 3.243 -1.765 11.020 1.00 0.00 O ATOM 547 CB HIS A 38 1.857 -4.639 10.447 1.00 0.00 C ATOM 548 CG HIS A 38 2.624 -5.229 9.304 1.00 0.00 C ATOM 549 ND1 HIS A 38 3.293 -6.432 9.388 1.00 0.00 N ATOM 550 CD2 HIS A 38 2.827 -4.775 8.045 1.00 0.00 C ATOM 551 CE1 HIS A 38 3.875 -6.692 8.230 1.00 0.00 C ATOM 552 NE2 HIS A 38 3.606 -5.702 7.399 1.00 0.00 N ATOM 0 H HIS A 38 1.310 -2.797 12.409 1.00 0.00 H new ATOM 0 HA HIS A 38 3.403 -4.838 11.927 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.218 -5.408 10.880 1.00 0.00 H new ATOM 0 HB3 HIS A 38 1.201 -3.855 10.068 1.00 0.00 H new ATOM 0 HD2 HIS A 38 2.447 -3.855 7.627 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.469 -7.565 8.003 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.926 -5.637 6.433 1.00 0.00 H new ATOM 561 N THR A 39 4.770 -3.310 10.433 1.00 0.00 N ATOM 562 CA THR A 39 5.690 -2.339 9.852 1.00 0.00 C ATOM 563 C THR A 39 6.053 -2.720 8.420 1.00 0.00 C ATOM 564 O THR A 39 6.470 -3.848 8.154 1.00 0.00 O ATOM 565 CB THR A 39 6.958 -2.234 10.701 1.00 0.00 C ATOM 566 OG1 THR A 39 6.639 -2.232 12.081 1.00 0.00 O ATOM 567 CG2 THR A 39 7.769 -0.989 10.415 1.00 0.00 C ATOM 0 H THR A 39 5.092 -4.277 10.386 1.00 0.00 H new ATOM 0 HA THR A 39 5.191 -1.370 9.835 1.00 0.00 H new ATOM 0 HB THR A 39 7.556 -3.106 10.435 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.463 -2.166 12.607 1.00 0.00 H new ATOM 0 HG21 THR A 39 8.654 -0.977 11.051 1.00 0.00 H new ATOM 0 HG22 THR A 39 8.074 -0.986 9.369 1.00 0.00 H new ATOM 0 HG23 THR A 39 7.164 -0.106 10.619 1.00 0.00 H new ATOM 575 N VAL A 40 5.891 -1.773 7.502 1.00 0.00 N ATOM 576 CA VAL A 40 6.202 -2.008 6.097 1.00 0.00 C ATOM 577 C VAL A 40 7.035 -0.866 5.523 1.00 0.00 C ATOM 578 O VAL A 40 6.565 0.268 5.422 1.00 0.00 O ATOM 579 CB VAL A 40 4.918 -2.173 5.259 1.00 0.00 C ATOM 580 CG1 VAL A 40 4.060 -0.920 5.340 1.00 0.00 C ATOM 581 CG2 VAL A 40 5.258 -2.502 3.812 1.00 0.00 C ATOM 0 H VAL A 40 5.546 -0.835 7.706 1.00 0.00 H new ATOM 0 HA VAL A 40 6.778 -2.932 6.046 1.00 0.00 H new ATOM 0 HB VAL A 40 4.346 -3.005 5.671 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.159 -1.057 4.742 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.782 -0.736 6.378 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.623 -0.068 4.958 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.338 -2.614 3.239 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.855 -1.696 3.386 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.825 -3.432 3.774 1.00 0.00 H new ATOM 591 N VAL A 41 8.273 -1.172 5.149 1.00 0.00 N ATOM 592 CA VAL A 41 9.171 -0.171 4.586 1.00 0.00 C ATOM 593 C VAL A 41 8.570 0.463 3.334 1.00 0.00 C ATOM 594 O VAL A 41 8.116 -0.237 2.429 1.00 0.00 O ATOM 595 CB VAL A 41 10.544 -0.780 4.238 1.00 0.00 C ATOM 596 CG1 VAL A 41 10.399 -1.867 3.185 1.00 0.00 C ATOM 597 CG2 VAL A 41 11.507 0.302 3.771 1.00 0.00 C ATOM 0 H VAL A 41 8.677 -2.105 5.226 1.00 0.00 H new ATOM 0 HA VAL A 41 9.308 0.597 5.347 1.00 0.00 H new ATOM 0 HB VAL A 41 10.955 -1.235 5.139 1.00 0.00 H new ATOM 0 HG11 VAL A 41 11.380 -2.283 2.954 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.750 -2.656 3.564 1.00 0.00 H new ATOM 0 HG13 VAL A 41 9.963 -1.442 2.281 1.00 0.00 H new ATOM 0 HG21 VAL A 41 12.470 -0.148 3.530 1.00 0.00 H new ATOM 0 HG22 VAL A 41 11.103 0.791 2.885 1.00 0.00 H new ATOM 0 HG23 VAL A 41 11.638 1.039 4.563 1.00 0.00 H new ATOM 607 N LEU A 42 8.570 1.791 3.292 1.00 0.00 N ATOM 608 CA LEU A 42 8.024 2.519 2.152 1.00 0.00 C ATOM 609 C LEU A 42 8.940 2.407 0.936 1.00 0.00 C ATOM 610 O LEU A 42 8.498 2.570 -0.201 1.00 0.00 O ATOM 611 CB LEU A 42 7.814 3.990 2.515 1.00 0.00 C ATOM 612 CG LEU A 42 6.578 4.277 3.369 1.00 0.00 C ATOM 613 CD1 LEU A 42 6.406 5.774 3.573 1.00 0.00 C ATOM 614 CD2 LEU A 42 5.335 3.679 2.726 1.00 0.00 C ATOM 0 H LEU A 42 8.942 2.385 4.033 1.00 0.00 H new ATOM 0 HA LEU A 42 7.063 2.072 1.897 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.696 4.346 3.048 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.743 4.569 1.594 1.00 0.00 H new ATOM 0 HG LEU A 42 6.718 3.812 4.345 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.522 5.959 4.183 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.285 6.176 4.077 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.288 6.262 2.605 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.465 3.893 3.347 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.191 4.115 1.738 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.457 2.600 2.632 1.00 0.00 H new ATOM 626 N SER A 43 10.218 2.130 1.181 1.00 0.00 N ATOM 627 CA SER A 43 11.192 2.000 0.103 1.00 0.00 C ATOM 628 C SER A 43 10.780 0.910 -0.882 1.00 0.00 C ATOM 629 O SER A 43 10.912 1.075 -2.095 1.00 0.00 O ATOM 630 CB SER A 43 12.576 1.688 0.675 1.00 0.00 C ATOM 631 OG SER A 43 13.595 2.328 -0.074 1.00 0.00 O ATOM 0 H SER A 43 10.602 1.992 2.116 1.00 0.00 H new ATOM 0 HA SER A 43 11.230 2.949 -0.432 1.00 0.00 H new ATOM 0 HB2 SER A 43 12.625 2.014 1.714 1.00 0.00 H new ATOM 0 HB3 SER A 43 12.740 0.610 0.671 1.00 0.00 H new ATOM 0 HG SER A 43 14.469 2.114 0.313 1.00 0.00 H new ATOM 637 N THR A 44 10.282 -0.204 -0.354 1.00 0.00 N ATOM 638 CA THR A 44 9.852 -1.323 -1.189 1.00 0.00 C ATOM 639 C THR A 44 8.824 -0.876 -2.225 1.00 0.00 C ATOM 640 O THR A 44 8.667 -1.508 -3.270 1.00 0.00 O ATOM 641 CB THR A 44 9.265 -2.440 -0.323 1.00 0.00 C ATOM 642 OG1 THR A 44 8.328 -1.919 0.604 1.00 0.00 O ATOM 643 CG2 THR A 44 10.313 -3.204 0.458 1.00 0.00 C ATOM 0 H THR A 44 10.166 -0.357 0.648 1.00 0.00 H new ATOM 0 HA THR A 44 10.728 -1.701 -1.716 1.00 0.00 H new ATOM 0 HB THR A 44 8.785 -3.126 -1.022 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.613 -1.026 0.891 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.830 -3.981 1.051 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.020 -3.662 -0.234 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.844 -2.520 1.120 1.00 0.00 H new ATOM 651 N ILE A 45 8.126 0.217 -1.932 1.00 0.00 N ATOM 652 CA ILE A 45 7.116 0.745 -2.842 1.00 0.00 C ATOM 653 C ILE A 45 7.758 1.599 -3.931 1.00 0.00 C ATOM 654 O ILE A 45 8.550 2.496 -3.646 1.00 0.00 O ATOM 655 CB ILE A 45 6.061 1.584 -2.086 1.00 0.00 C ATOM 656 CG1 ILE A 45 5.312 0.711 -1.077 1.00 0.00 C ATOM 657 CG2 ILE A 45 5.080 2.227 -3.060 1.00 0.00 C ATOM 658 CD1 ILE A 45 6.150 0.307 0.116 1.00 0.00 C ATOM 0 H ILE A 45 8.241 0.754 -1.072 1.00 0.00 H new ATOM 0 HA ILE A 45 6.619 -0.109 -3.302 1.00 0.00 H new ATOM 0 HB ILE A 45 6.578 2.378 -1.548 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.432 1.250 -0.726 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.956 -0.187 -1.581 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.347 2.812 -2.505 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.622 2.879 -3.745 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.569 1.450 -3.628 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.553 -0.310 0.788 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.017 -0.260 -0.223 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.485 1.200 0.645 1.00 0.00 H new ATOM 670 N ASP A 46 7.407 1.313 -5.181 1.00 0.00 N ATOM 671 CA ASP A 46 7.944 2.054 -6.315 1.00 0.00 C ATOM 672 C ASP A 46 6.883 2.970 -6.915 1.00 0.00 C ATOM 673 O ASP A 46 7.189 4.061 -7.396 1.00 0.00 O ATOM 674 CB ASP A 46 8.464 1.089 -7.382 1.00 0.00 C ATOM 675 CG ASP A 46 9.161 1.806 -8.521 1.00 0.00 C ATOM 676 OD1 ASP A 46 9.748 2.881 -8.275 1.00 0.00 O ATOM 677 OD2 ASP A 46 9.120 1.293 -9.659 1.00 0.00 O ATOM 0 H ASP A 46 6.752 0.573 -5.433 1.00 0.00 H new ATOM 0 HA ASP A 46 8.771 2.668 -5.958 1.00 0.00 H new ATOM 0 HB2 ASP A 46 9.156 0.383 -6.923 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.632 0.507 -7.778 1.00 0.00 H new ATOM 682 N LYS A 47 5.633 2.518 -6.883 1.00 0.00 N ATOM 683 CA LYS A 47 4.524 3.292 -7.422 1.00 0.00 C ATOM 684 C LYS A 47 3.385 3.377 -6.406 1.00 0.00 C ATOM 685 O LYS A 47 3.241 2.508 -5.546 1.00 0.00 O ATOM 686 CB LYS A 47 4.040 2.664 -8.738 1.00 0.00 C ATOM 687 CG LYS A 47 2.528 2.648 -8.910 1.00 0.00 C ATOM 688 CD LYS A 47 2.130 2.205 -10.309 1.00 0.00 C ATOM 689 CE LYS A 47 2.211 0.694 -10.458 1.00 0.00 C ATOM 690 NZ LYS A 47 2.283 0.280 -11.886 1.00 0.00 N ATOM 0 H LYS A 47 5.364 1.617 -6.488 1.00 0.00 H new ATOM 0 HA LYS A 47 4.866 4.307 -7.626 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.482 3.210 -9.571 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.411 1.641 -8.796 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.084 1.977 -8.175 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.128 3.643 -8.715 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.115 2.539 -10.523 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.783 2.680 -11.042 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.088 0.323 -9.928 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.339 0.236 -9.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.337 -0.757 -11.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.434 0.611 -12.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.129 0.696 -12.326 1.00 0.00 H new ATOM 704 N LEU A 48 2.579 4.428 -6.515 1.00 0.00 N ATOM 705 CA LEU A 48 1.453 4.626 -5.609 1.00 0.00 C ATOM 706 C LEU A 48 0.129 4.415 -6.336 1.00 0.00 C ATOM 707 O LEU A 48 0.038 4.608 -7.549 1.00 0.00 O ATOM 708 CB LEU A 48 1.497 6.031 -5.006 1.00 0.00 C ATOM 709 CG LEU A 48 2.830 6.417 -4.362 1.00 0.00 C ATOM 710 CD1 LEU A 48 3.073 7.913 -4.495 1.00 0.00 C ATOM 711 CD2 LEU A 48 2.855 5.999 -2.900 1.00 0.00 C ATOM 0 H LEU A 48 2.684 5.156 -7.222 1.00 0.00 H new ATOM 0 HA LEU A 48 1.530 3.892 -4.807 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.266 6.753 -5.789 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.711 6.113 -4.255 1.00 0.00 H new ATOM 0 HG LEU A 48 3.630 5.892 -4.883 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.026 8.170 -4.031 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.098 8.185 -5.550 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.270 8.458 -3.999 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.810 6.281 -2.457 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.046 6.497 -2.365 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.727 4.919 -2.828 1.00 0.00 H new ATOM 723 N GLN A 49 -0.896 4.017 -5.589 1.00 0.00 N ATOM 724 CA GLN A 49 -2.214 3.780 -6.166 1.00 0.00 C ATOM 725 C GLN A 49 -3.314 4.046 -5.143 1.00 0.00 C ATOM 726 O GLN A 49 -3.085 3.965 -3.936 1.00 0.00 O ATOM 727 CB GLN A 49 -2.318 2.343 -6.680 1.00 0.00 C ATOM 728 CG GLN A 49 -3.091 2.217 -7.983 1.00 0.00 C ATOM 729 CD GLN A 49 -2.185 2.008 -9.181 1.00 0.00 C ATOM 730 OE1 GLN A 49 -1.395 1.064 -9.219 1.00 0.00 O ATOM 731 NE2 GLN A 49 -2.295 2.890 -10.167 1.00 0.00 N ATOM 0 H GLN A 49 -0.839 3.852 -4.584 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.345 4.469 -7.001 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.314 1.944 -6.823 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.800 1.728 -5.920 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.787 1.382 -7.909 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.687 3.116 -8.136 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.963 3.657 -10.093 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.711 2.801 -10.999 1.00 0.00 H new ATOM 740 N ALA A 50 -4.507 4.365 -5.634 1.00 0.00 N ATOM 741 CA ALA A 50 -5.643 4.643 -4.764 1.00 0.00 C ATOM 742 C ALA A 50 -6.960 4.347 -5.472 1.00 0.00 C ATOM 743 O ALA A 50 -6.994 4.159 -6.688 1.00 0.00 O ATOM 744 CB ALA A 50 -5.606 6.089 -4.295 1.00 0.00 C ATOM 0 H ALA A 50 -4.712 4.437 -6.631 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.573 3.989 -3.895 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.460 6.283 -3.646 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.683 6.269 -3.744 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.648 6.753 -5.159 1.00 0.00 H new ATOM 750 N THR A 51 -8.044 4.309 -4.704 1.00 0.00 N ATOM 751 CA THR A 51 -9.364 4.037 -5.259 1.00 0.00 C ATOM 752 C THR A 51 -10.016 5.321 -5.767 1.00 0.00 C ATOM 753 O THR A 51 -9.718 6.412 -5.282 1.00 0.00 O ATOM 754 CB THR A 51 -10.258 3.381 -4.205 1.00 0.00 C ATOM 755 OG1 THR A 51 -10.372 4.205 -3.060 1.00 0.00 O ATOM 756 CG2 THR A 51 -9.752 2.029 -3.750 1.00 0.00 C ATOM 0 H THR A 51 -8.034 4.463 -3.696 1.00 0.00 H new ATOM 0 HA THR A 51 -9.243 3.354 -6.100 1.00 0.00 H new ATOM 0 HB THR A 51 -11.225 3.245 -4.690 1.00 0.00 H new ATOM 0 HG1 THR A 51 -11.221 4.694 -3.092 1.00 0.00 H new ATOM 0 HG21 THR A 51 -10.431 1.619 -3.003 1.00 0.00 H new ATOM 0 HG22 THR A 51 -9.701 1.353 -4.604 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.759 2.140 -3.315 1.00 0.00 H new ATOM 764 N PRO A 52 -10.918 5.206 -6.757 1.00 0.00 N ATOM 765 CA PRO A 52 -11.612 6.364 -7.330 1.00 0.00 C ATOM 766 C PRO A 52 -12.603 6.987 -6.353 1.00 0.00 C ATOM 767 O PRO A 52 -13.087 6.323 -5.436 1.00 0.00 O ATOM 768 CB PRO A 52 -12.348 5.777 -8.537 1.00 0.00 C ATOM 769 CG PRO A 52 -12.534 4.338 -8.204 1.00 0.00 C ATOM 770 CD PRO A 52 -11.332 3.942 -7.393 1.00 0.00 C ATOM 0 HA PRO A 52 -10.921 7.167 -7.585 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -13.305 6.273 -8.697 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.769 5.900 -9.452 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -13.454 4.184 -7.640 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.610 3.735 -9.109 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.580 3.182 -6.652 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.542 3.530 -8.021 1.00 0.00 H new ATOM 778 N ALA A 53 -12.901 8.266 -6.556 1.00 0.00 N ATOM 779 CA ALA A 53 -13.834 8.979 -5.693 1.00 0.00 C ATOM 780 C ALA A 53 -15.245 8.414 -5.822 1.00 0.00 C ATOM 781 O ALA A 53 -16.028 8.449 -4.873 1.00 0.00 O ATOM 782 CB ALA A 53 -13.827 10.465 -6.021 1.00 0.00 C ATOM 0 H ALA A 53 -12.510 8.830 -7.311 1.00 0.00 H new ATOM 0 HA ALA A 53 -13.510 8.844 -4.661 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -14.529 10.985 -5.369 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -12.825 10.866 -5.870 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -14.122 10.610 -7.060 1.00 0.00 H new ATOM 788 N SER A 54 -15.562 7.893 -7.003 1.00 0.00 N ATOM 789 CA SER A 54 -16.879 7.321 -7.257 1.00 0.00 C ATOM 790 C SER A 54 -17.098 6.065 -6.419 1.00 0.00 C ATOM 791 O SER A 54 -18.225 5.752 -6.035 1.00 0.00 O ATOM 792 CB SER A 54 -17.037 6.991 -8.742 1.00 0.00 C ATOM 793 OG SER A 54 -15.827 6.492 -9.286 1.00 0.00 O ATOM 0 H SER A 54 -14.925 7.855 -7.799 1.00 0.00 H new ATOM 0 HA SER A 54 -17.629 8.060 -6.974 1.00 0.00 H new ATOM 0 HB2 SER A 54 -17.829 6.253 -8.871 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.342 7.885 -9.286 1.00 0.00 H new ATOM 0 HG SER A 54 -15.955 6.287 -10.236 1.00 0.00 H new ATOM 799 N SER A 55 -16.014 5.348 -6.140 1.00 0.00 N ATOM 800 CA SER A 55 -16.088 4.126 -5.348 1.00 0.00 C ATOM 801 C SER A 55 -16.664 4.408 -3.964 1.00 0.00 C ATOM 802 O SER A 55 -16.261 5.360 -3.295 1.00 0.00 O ATOM 803 CB SER A 55 -14.701 3.494 -5.216 1.00 0.00 C ATOM 804 OG SER A 55 -14.413 2.661 -6.326 1.00 0.00 O ATOM 0 H SER A 55 -15.074 5.592 -6.451 1.00 0.00 H new ATOM 0 HA SER A 55 -16.750 3.429 -5.862 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.947 4.277 -5.140 1.00 0.00 H new ATOM 0 HB3 SER A 55 -14.649 2.911 -4.297 1.00 0.00 H new ATOM 0 HG SER A 55 -13.521 2.270 -6.219 1.00 0.00 H new ATOM 810 N GLU A 56 -17.610 3.576 -3.541 1.00 0.00 N ATOM 811 CA GLU A 56 -18.242 3.736 -2.237 1.00 0.00 C ATOM 812 C GLU A 56 -17.221 3.582 -1.115 1.00 0.00 C ATOM 813 O GLU A 56 -17.346 4.203 -0.059 1.00 0.00 O ATOM 814 CB GLU A 56 -19.366 2.713 -2.064 1.00 0.00 C ATOM 815 CG GLU A 56 -20.697 3.167 -2.641 1.00 0.00 C ATOM 816 CD GLU A 56 -21.471 2.034 -3.285 1.00 0.00 C ATOM 817 OE1 GLU A 56 -21.194 0.862 -2.953 1.00 0.00 O ATOM 818 OE2 GLU A 56 -22.354 2.318 -4.121 1.00 0.00 O ATOM 0 H GLU A 56 -17.956 2.784 -4.083 1.00 0.00 H new ATOM 0 HA GLU A 56 -18.663 4.740 -2.185 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -19.072 1.779 -2.542 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -19.493 2.502 -1.002 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -21.300 3.609 -1.848 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -20.521 3.948 -3.381 1.00 0.00 H new ATOM 825 N LYS A 57 -16.211 2.750 -1.349 1.00 0.00 N ATOM 826 CA LYS A 57 -15.169 2.515 -0.357 1.00 0.00 C ATOM 827 C LYS A 57 -13.901 3.288 -0.706 1.00 0.00 C ATOM 828 O LYS A 57 -13.288 3.057 -1.749 1.00 0.00 O ATOM 829 CB LYS A 57 -14.858 1.021 -0.257 1.00 0.00 C ATOM 830 CG LYS A 57 -14.721 0.336 -1.607 1.00 0.00 C ATOM 831 CD LYS A 57 -16.025 -0.315 -2.036 1.00 0.00 C ATOM 832 CE LYS A 57 -16.082 -1.776 -1.619 1.00 0.00 C ATOM 833 NZ LYS A 57 -17.112 -2.532 -2.384 1.00 0.00 N ATOM 0 H LYS A 57 -16.092 2.228 -2.217 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.534 2.868 0.607 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -13.933 0.888 0.304 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.649 0.531 0.311 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.413 1.065 -2.357 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.936 -0.419 -1.555 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.864 0.223 -1.595 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -16.132 -0.240 -3.118 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -15.106 -2.236 -1.773 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -16.301 -1.841 -0.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -17.119 -3.523 -2.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -18.048 -2.109 -2.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -16.889 -2.492 -3.399 1.00 0.00 H new ATOM 847 N MET A 58 -13.513 4.206 0.173 1.00 0.00 N ATOM 848 CA MET A 58 -12.317 5.013 -0.041 1.00 0.00 C ATOM 849 C MET A 58 -11.107 4.384 0.643 1.00 0.00 C ATOM 850 O MET A 58 -11.045 4.312 1.871 1.00 0.00 O ATOM 851 CB MET A 58 -12.535 6.433 0.485 1.00 0.00 C ATOM 852 CG MET A 58 -11.338 7.348 0.284 1.00 0.00 C ATOM 853 SD MET A 58 -11.507 8.915 1.159 1.00 0.00 S ATOM 854 CE MET A 58 -11.863 8.341 2.817 1.00 0.00 C ATOM 0 H MET A 58 -14.009 4.410 1.040 1.00 0.00 H new ATOM 0 HA MET A 58 -12.124 5.056 -1.113 1.00 0.00 H new ATOM 0 HB2 MET A 58 -13.401 6.867 -0.014 1.00 0.00 H new ATOM 0 HB3 MET A 58 -12.771 6.385 1.548 1.00 0.00 H new ATOM 0 HG2 MET A 58 -10.436 6.841 0.626 1.00 0.00 H new ATOM 0 HG3 MET A 58 -11.209 7.543 -0.781 1.00 0.00 H new ATOM 0 HE1 MET A 58 -12.012 9.198 3.474 1.00 0.00 H new ATOM 0 HE2 MET A 58 -12.767 7.732 2.805 1.00 0.00 H new ATOM 0 HE3 MET A 58 -11.028 7.744 3.182 1.00 0.00 H new ATOM 864 N MET A 59 -10.149 3.930 -0.158 1.00 0.00 N ATOM 865 CA MET A 59 -8.942 3.308 0.372 1.00 0.00 C ATOM 866 C MET A 59 -7.762 3.508 -0.574 1.00 0.00 C ATOM 867 O MET A 59 -7.945 3.742 -1.769 1.00 0.00 O ATOM 868 CB MET A 59 -9.174 1.813 0.606 1.00 0.00 C ATOM 869 CG MET A 59 -10.474 1.506 1.331 1.00 0.00 C ATOM 870 SD MET A 59 -10.577 -0.211 1.872 1.00 0.00 S ATOM 871 CE MET A 59 -10.742 -1.052 0.300 1.00 0.00 C ATOM 0 H MET A 59 -10.185 3.981 -1.176 1.00 0.00 H new ATOM 0 HA MET A 59 -8.706 3.787 1.322 1.00 0.00 H new ATOM 0 HB2 MET A 59 -9.173 1.299 -0.355 1.00 0.00 H new ATOM 0 HB3 MET A 59 -8.342 1.411 1.183 1.00 0.00 H new ATOM 0 HG2 MET A 59 -10.567 2.162 2.197 1.00 0.00 H new ATOM 0 HG3 MET A 59 -11.314 1.727 0.672 1.00 0.00 H new ATOM 0 HE1 MET A 59 -11.665 -1.633 0.293 1.00 0.00 H new ATOM 0 HE2 MET A 59 -10.770 -0.317 -0.505 1.00 0.00 H new ATOM 0 HE3 MET A 59 -9.892 -1.719 0.153 1.00 0.00 H new ATOM 881 N LEU A 60 -6.553 3.414 -0.031 1.00 0.00 N ATOM 882 CA LEU A 60 -5.341 3.583 -0.824 1.00 0.00 C ATOM 883 C LEU A 60 -4.431 2.366 -0.687 1.00 0.00 C ATOM 884 O LEU A 60 -4.489 1.647 0.311 1.00 0.00 O ATOM 885 CB LEU A 60 -4.594 4.845 -0.388 1.00 0.00 C ATOM 886 CG LEU A 60 -3.757 5.513 -1.481 1.00 0.00 C ATOM 887 CD1 LEU A 60 -3.812 7.027 -1.346 1.00 0.00 C ATOM 888 CD2 LEU A 60 -2.318 5.023 -1.423 1.00 0.00 C ATOM 0 H LEU A 60 -6.386 3.221 0.957 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.630 3.684 -1.870 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.320 5.568 -0.015 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.939 4.591 0.446 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.175 5.240 -2.450 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.211 7.484 -2.132 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.845 7.363 -1.437 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.420 7.320 -0.372 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.737 5.508 -2.207 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.890 5.266 -0.451 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.295 3.943 -1.570 1.00 0.00 H new ATOM 900 N ARG A 61 -3.593 2.139 -1.693 1.00 0.00 N ATOM 901 CA ARG A 61 -2.676 1.005 -1.678 1.00 0.00 C ATOM 902 C ARG A 61 -1.359 1.354 -2.366 1.00 0.00 C ATOM 903 O ARG A 61 -1.318 2.201 -3.258 1.00 0.00 O ATOM 904 CB ARG A 61 -3.319 -0.207 -2.358 1.00 0.00 C ATOM 905 CG ARG A 61 -3.526 -0.035 -3.855 1.00 0.00 C ATOM 906 CD ARG A 61 -3.266 -1.332 -4.605 1.00 0.00 C ATOM 907 NE ARG A 61 -3.097 -1.111 -6.040 1.00 0.00 N ATOM 908 CZ ARG A 61 -3.221 -2.068 -6.957 1.00 0.00 C ATOM 909 NH1 ARG A 61 -3.513 -3.311 -6.594 1.00 0.00 N ATOM 910 NH2 ARG A 61 -3.053 -1.781 -8.241 1.00 0.00 N ATOM 0 H ARG A 61 -3.530 2.723 -2.527 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.463 0.758 -0.638 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.693 -1.083 -2.186 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.282 -0.406 -1.888 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.546 0.299 -4.047 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.860 0.743 -4.229 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.372 -1.809 -4.204 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.096 -2.019 -4.439 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.871 -0.168 -6.357 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.644 -3.537 -5.608 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.607 -4.040 -7.301 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.829 -0.827 -8.525 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.148 -2.514 -8.944 1.00 0.00 H new ATOM 924 N LEU A 62 -0.286 0.690 -1.947 1.00 0.00 N ATOM 925 CA LEU A 62 1.032 0.925 -2.524 1.00 0.00 C ATOM 926 C LEU A 62 1.540 -0.322 -3.239 1.00 0.00 C ATOM 927 O LEU A 62 1.319 -1.444 -2.783 1.00 0.00 O ATOM 928 CB LEU A 62 2.026 1.342 -1.437 1.00 0.00 C ATOM 929 CG LEU A 62 1.538 2.439 -0.485 1.00 0.00 C ATOM 930 CD1 LEU A 62 0.826 3.544 -1.251 1.00 0.00 C ATOM 931 CD2 LEU A 62 0.626 1.850 0.580 1.00 0.00 C ATOM 0 H LEU A 62 -0.304 -0.015 -1.210 1.00 0.00 H new ATOM 0 HA LEU A 62 0.942 1.732 -3.251 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.284 0.462 -0.848 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.942 1.684 -1.918 1.00 0.00 H new ATOM 0 HG LEU A 62 2.407 2.876 0.007 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.489 4.311 -0.554 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.512 3.986 -1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.034 3.127 -1.776 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.288 2.642 1.248 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.237 1.385 0.103 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.172 1.101 1.153 1.00 0.00 H new ATOM 943 N ILE A 63 2.221 -0.120 -4.361 1.00 0.00 N ATOM 944 CA ILE A 63 2.759 -1.230 -5.138 1.00 0.00 C ATOM 945 C ILE A 63 4.259 -1.385 -4.909 1.00 0.00 C ATOM 946 O ILE A 63 5.037 -0.474 -5.192 1.00 0.00 O ATOM 947 CB ILE A 63 2.498 -1.045 -6.644 1.00 0.00 C ATOM 948 CG1 ILE A 63 1.046 -0.626 -6.887 1.00 0.00 C ATOM 949 CG2 ILE A 63 2.818 -2.327 -7.398 1.00 0.00 C ATOM 950 CD1 ILE A 63 0.035 -1.642 -6.400 1.00 0.00 C ATOM 0 H ILE A 63 2.414 0.802 -4.753 1.00 0.00 H new ATOM 0 HA ILE A 63 2.246 -2.129 -4.798 1.00 0.00 H new ATOM 0 HB ILE A 63 3.150 -0.255 -7.015 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.862 0.326 -6.388 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.898 -0.460 -7.954 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.629 -2.181 -8.461 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.866 -2.585 -7.248 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.189 -3.135 -7.025 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.972 -1.280 -6.605 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.192 -2.588 -6.917 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.156 -1.790 -5.327 1.00 0.00 H new ATOM 962 N GLY A 64 4.658 -2.544 -4.396 1.00 0.00 N ATOM 963 CA GLY A 64 6.063 -2.798 -4.138 1.00 0.00 C ATOM 964 C GLY A 64 6.908 -2.715 -5.395 1.00 0.00 C ATOM 965 O GLY A 64 6.419 -2.325 -6.455 1.00 0.00 O ATOM 0 H GLY A 64 4.033 -3.313 -4.154 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.431 -2.077 -3.408 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.175 -3.787 -3.694 1.00 0.00 H new ATOM 969 N LYS A 65 8.179 -3.084 -5.275 1.00 0.00 N ATOM 970 CA LYS A 65 9.094 -3.051 -6.410 1.00 0.00 C ATOM 971 C LYS A 65 9.009 -4.343 -7.216 1.00 0.00 C ATOM 972 O LYS A 65 8.201 -5.221 -6.915 1.00 0.00 O ATOM 973 CB LYS A 65 10.529 -2.830 -5.928 1.00 0.00 C ATOM 974 CG LYS A 65 10.919 -1.365 -5.829 1.00 0.00 C ATOM 975 CD LYS A 65 12.016 -1.148 -4.799 1.00 0.00 C ATOM 976 CE LYS A 65 12.566 0.268 -4.860 1.00 0.00 C ATOM 977 NZ LYS A 65 13.656 0.484 -3.869 1.00 0.00 N ATOM 0 H LYS A 65 8.599 -3.409 -4.404 1.00 0.00 H new ATOM 0 HA LYS A 65 8.803 -2.222 -7.055 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.651 -3.297 -4.950 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.214 -3.334 -6.610 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.258 -1.011 -6.803 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.045 -0.772 -5.561 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.624 -1.344 -3.801 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.823 -1.860 -4.970 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.943 0.468 -5.863 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.761 0.979 -4.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 14.004 1.461 -3.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 13.291 0.318 -2.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 14.436 -0.176 -4.061 1.00 0.00 H new ATOM 991 N VAL A 66 9.848 -4.452 -8.241 1.00 0.00 N ATOM 992 CA VAL A 66 9.868 -5.637 -9.090 1.00 0.00 C ATOM 993 C VAL A 66 11.260 -6.257 -9.135 1.00 0.00 C ATOM 994 O VAL A 66 12.263 -5.572 -8.933 1.00 0.00 O ATOM 995 CB VAL A 66 9.418 -5.308 -10.526 1.00 0.00 C ATOM 996 CG1 VAL A 66 7.913 -5.099 -10.580 1.00 0.00 C ATOM 997 CG2 VAL A 66 10.153 -4.082 -11.047 1.00 0.00 C ATOM 0 H VAL A 66 10.523 -3.734 -8.504 1.00 0.00 H new ATOM 0 HA VAL A 66 9.169 -6.350 -8.653 1.00 0.00 H new ATOM 0 HB VAL A 66 9.667 -6.153 -11.168 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.614 -4.868 -11.602 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.408 -6.007 -10.251 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.637 -4.272 -9.925 1.00 0.00 H new ATOM 0 HG21 VAL A 66 9.823 -3.864 -12.063 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.938 -3.228 -10.404 1.00 0.00 H new ATOM 0 HG23 VAL A 66 11.226 -4.274 -11.048 1.00 0.00 H new ATOM 1007 N ASP A 67 11.314 -7.558 -9.402 1.00 0.00 N ATOM 1008 CA ASP A 67 12.584 -8.272 -9.474 1.00 0.00 C ATOM 1009 C ASP A 67 12.380 -9.694 -9.987 1.00 0.00 C ATOM 1010 O ASP A 67 11.972 -10.582 -9.238 1.00 0.00 O ATOM 1011 CB ASP A 67 13.253 -8.304 -8.099 1.00 0.00 C ATOM 1012 CG ASP A 67 14.764 -8.378 -8.194 1.00 0.00 C ATOM 1013 OD1 ASP A 67 15.274 -8.780 -9.261 1.00 0.00 O ATOM 1014 OD2 ASP A 67 15.439 -8.035 -7.200 1.00 0.00 O ATOM 0 H ASP A 67 10.493 -8.139 -9.572 1.00 0.00 H new ATOM 0 HA ASP A 67 13.231 -7.743 -10.173 1.00 0.00 H new ATOM 0 HB2 ASP A 67 12.970 -7.413 -7.539 1.00 0.00 H new ATOM 0 HB3 ASP A 67 12.884 -9.163 -7.538 1.00 0.00 H new ATOM 1019 N GLU A 68 12.668 -9.903 -11.267 1.00 0.00 N ATOM 1020 CA GLU A 68 12.517 -11.217 -11.880 1.00 0.00 C ATOM 1021 C GLU A 68 13.858 -11.939 -11.958 1.00 0.00 C ATOM 1022 O GLU A 68 14.131 -12.661 -12.917 1.00 0.00 O ATOM 1023 CB GLU A 68 11.914 -11.084 -13.280 1.00 0.00 C ATOM 1024 CG GLU A 68 10.394 -11.057 -13.287 1.00 0.00 C ATOM 1025 CD GLU A 68 9.789 -12.380 -13.712 1.00 0.00 C ATOM 1026 OE1 GLU A 68 10.107 -13.409 -13.079 1.00 0.00 O ATOM 1027 OE2 GLU A 68 8.998 -12.388 -14.679 1.00 0.00 O ATOM 0 H GLU A 68 13.007 -9.179 -11.900 1.00 0.00 H new ATOM 0 HA GLU A 68 11.844 -11.805 -11.256 1.00 0.00 H new ATOM 0 HB2 GLU A 68 12.288 -10.170 -13.742 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.257 -11.916 -13.895 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.034 -10.801 -12.290 1.00 0.00 H new ATOM 0 HG3 GLU A 68 10.051 -10.272 -13.961 1.00 0.00 H new ATOM 1034 N SER A 69 14.692 -11.738 -10.943 1.00 0.00 N ATOM 1035 CA SER A 69 16.006 -12.370 -10.897 1.00 0.00 C ATOM 1036 C SER A 69 16.302 -12.908 -9.501 1.00 0.00 C ATOM 1037 O SER A 69 17.450 -12.909 -9.056 1.00 0.00 O ATOM 1038 CB SER A 69 17.089 -11.374 -11.313 1.00 0.00 C ATOM 1039 OG SER A 69 16.714 -10.046 -10.989 1.00 0.00 O ATOM 0 H SER A 69 14.482 -11.143 -10.142 1.00 0.00 H new ATOM 0 HA SER A 69 16.004 -13.206 -11.596 1.00 0.00 H new ATOM 0 HB2 SER A 69 18.026 -11.622 -10.815 1.00 0.00 H new ATOM 0 HB3 SER A 69 17.267 -11.453 -12.385 1.00 0.00 H new ATOM 0 HG SER A 69 16.268 -10.036 -10.117 1.00 0.00 H new ATOM 1045 N LYS A 70 15.259 -13.365 -8.815 1.00 0.00 N ATOM 1046 CA LYS A 70 15.407 -13.906 -7.468 1.00 0.00 C ATOM 1047 C LYS A 70 14.993 -15.373 -7.423 1.00 0.00 C ATOM 1048 O LYS A 70 15.838 -16.265 -7.352 1.00 0.00 O ATOM 1049 CB LYS A 70 14.570 -13.097 -6.476 1.00 0.00 C ATOM 1050 CG LYS A 70 15.288 -11.873 -5.930 1.00 0.00 C ATOM 1051 CD LYS A 70 14.827 -11.540 -4.521 1.00 0.00 C ATOM 1052 CE LYS A 70 13.699 -10.521 -4.529 1.00 0.00 C ATOM 1053 NZ LYS A 70 13.737 -9.640 -3.330 1.00 0.00 N ATOM 0 H LYS A 70 14.303 -13.372 -9.169 1.00 0.00 H new ATOM 0 HA LYS A 70 16.458 -13.835 -7.188 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.649 -12.780 -6.965 1.00 0.00 H new ATOM 0 HB3 LYS A 70 14.284 -13.741 -5.645 1.00 0.00 H new ATOM 0 HG2 LYS A 70 16.363 -12.051 -5.930 1.00 0.00 H new ATOM 0 HG3 LYS A 70 15.106 -11.021 -6.585 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.493 -12.450 -4.022 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.666 -11.150 -3.945 1.00 0.00 H new ATOM 0 HE2 LYS A 70 13.767 -9.911 -5.430 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.741 -11.040 -4.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.952 -8.960 -3.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 13.646 -10.219 -2.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.640 -9.125 -3.306 1.00 0.00 H new ATOM 1067 N LYS A 71 13.687 -15.616 -7.466 1.00 0.00 N ATOM 1068 CA LYS A 71 13.160 -16.975 -7.431 1.00 0.00 C ATOM 1069 C LYS A 71 13.585 -17.691 -6.153 1.00 0.00 C ATOM 1070 O LYS A 71 14.235 -17.105 -5.288 1.00 0.00 O ATOM 1071 CB LYS A 71 13.638 -17.761 -8.653 1.00 0.00 C ATOM 1072 CG LYS A 71 12.713 -17.640 -9.854 1.00 0.00 C ATOM 1073 CD LYS A 71 13.496 -17.518 -11.151 1.00 0.00 C ATOM 1074 CE LYS A 71 13.721 -18.876 -11.796 1.00 0.00 C ATOM 1075 NZ LYS A 71 15.044 -19.454 -11.428 1.00 0.00 N ATOM 0 H LYS A 71 12.974 -14.889 -7.525 1.00 0.00 H new ATOM 0 HA LYS A 71 12.072 -16.917 -7.448 1.00 0.00 H new ATOM 0 HB2 LYS A 71 14.632 -17.412 -8.933 1.00 0.00 H new ATOM 0 HB3 LYS A 71 13.734 -18.813 -8.383 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.061 -18.513 -9.902 1.00 0.00 H new ATOM 0 HG3 LYS A 71 12.070 -16.768 -9.733 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.957 -16.870 -11.843 1.00 0.00 H new ATOM 0 HD3 LYS A 71 14.458 -17.044 -10.954 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.929 -19.559 -11.490 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.656 -18.778 -12.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 15.158 -20.380 -11.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 15.802 -18.815 -11.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 15.097 -19.571 -10.396 1.00 0.00 H new ATOM 1089 N ARG A 72 13.214 -18.962 -6.041 1.00 0.00 N ATOM 1090 CA ARG A 72 13.557 -19.759 -4.869 1.00 0.00 C ATOM 1091 C ARG A 72 12.955 -19.154 -3.605 1.00 0.00 C ATOM 1092 O ARG A 72 12.221 -18.168 -3.665 1.00 0.00 O ATOM 1093 CB ARG A 72 15.076 -19.864 -4.725 1.00 0.00 C ATOM 1094 CG ARG A 72 15.777 -20.332 -5.990 1.00 0.00 C ATOM 1095 CD ARG A 72 16.043 -21.828 -5.959 1.00 0.00 C ATOM 1096 NE ARG A 72 16.055 -22.410 -7.299 1.00 0.00 N ATOM 1097 CZ ARG A 72 14.955 -22.692 -7.995 1.00 0.00 C ATOM 1098 NH1 ARG A 72 13.756 -22.447 -7.482 1.00 0.00 N ATOM 1099 NH2 ARG A 72 15.055 -23.219 -9.208 1.00 0.00 N ATOM 0 H ARG A 72 12.675 -19.462 -6.748 1.00 0.00 H new ATOM 0 HA ARG A 72 13.142 -20.758 -5.005 1.00 0.00 H new ATOM 0 HB2 ARG A 72 15.473 -18.890 -4.439 1.00 0.00 H new ATOM 0 HB3 ARG A 72 15.309 -20.554 -3.914 1.00 0.00 H new ATOM 0 HG2 ARG A 72 15.164 -20.088 -6.858 1.00 0.00 H new ATOM 0 HG3 ARG A 72 16.719 -19.796 -6.104 1.00 0.00 H new ATOM 0 HD2 ARG A 72 17.001 -22.016 -5.474 1.00 0.00 H new ATOM 0 HD3 ARG A 72 15.279 -22.320 -5.357 1.00 0.00 H new ATOM 0 HE ARG A 72 16.959 -22.612 -7.727 1.00 0.00 H new ATOM 0 HH11 ARG A 72 13.673 -22.041 -6.550 1.00 0.00 H new ATOM 0 HH12 ARG A 72 12.917 -22.665 -8.020 1.00 0.00 H new ATOM 0 HH21 ARG A 72 15.974 -23.408 -9.608 1.00 0.00 H new ATOM 0 HH22 ARG A 72 14.213 -23.435 -9.741 1.00 0.00 H new ATOM 1113 N LYS A 73 13.271 -19.753 -2.461 1.00 0.00 N ATOM 1114 CA LYS A 73 12.761 -19.273 -1.182 1.00 0.00 C ATOM 1115 C LYS A 73 13.841 -18.516 -0.415 1.00 0.00 C ATOM 1116 O LYS A 73 14.614 -19.109 0.338 1.00 0.00 O ATOM 1117 CB LYS A 73 12.246 -20.443 -0.342 1.00 0.00 C ATOM 1118 CG LYS A 73 13.310 -21.483 -0.027 1.00 0.00 C ATOM 1119 CD LYS A 73 12.782 -22.897 -0.212 1.00 0.00 C ATOM 1120 CE LYS A 73 12.914 -23.356 -1.655 1.00 0.00 C ATOM 1121 NZ LYS A 73 14.335 -23.583 -2.038 1.00 0.00 N ATOM 0 H LYS A 73 13.877 -20.571 -2.394 1.00 0.00 H new ATOM 0 HA LYS A 73 11.936 -18.589 -1.382 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.840 -20.057 0.593 1.00 0.00 H new ATOM 0 HB3 LYS A 73 11.424 -20.925 -0.872 1.00 0.00 H new ATOM 0 HG2 LYS A 73 14.173 -21.329 -0.674 1.00 0.00 H new ATOM 0 HG3 LYS A 73 13.654 -21.354 0.999 1.00 0.00 H new ATOM 0 HD2 LYS A 73 13.329 -23.579 0.439 1.00 0.00 H new ATOM 0 HD3 LYS A 73 11.735 -22.938 0.090 1.00 0.00 H new ATOM 0 HE2 LYS A 73 12.348 -24.277 -1.796 1.00 0.00 H new ATOM 0 HE3 LYS A 73 12.475 -22.608 -2.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 14.375 -24.199 -2.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 14.785 -22.671 -2.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 14.839 -24.038 -1.250 1.00 0.00 H new ATOM 1135 N ASP A 74 13.888 -17.202 -0.611 1.00 0.00 N ATOM 1136 CA ASP A 74 14.873 -16.364 0.063 1.00 0.00 C ATOM 1137 C ASP A 74 14.286 -15.742 1.326 1.00 0.00 C ATOM 1138 O ASP A 74 13.121 -15.964 1.655 1.00 0.00 O ATOM 1139 CB ASP A 74 15.366 -15.264 -0.879 1.00 0.00 C ATOM 1140 CG ASP A 74 14.233 -14.411 -1.416 1.00 0.00 C ATOM 1141 OD1 ASP A 74 13.524 -14.874 -2.334 1.00 0.00 O ATOM 1142 OD2 ASP A 74 14.054 -13.280 -0.917 1.00 0.00 O ATOM 0 H ASP A 74 13.256 -16.695 -1.231 1.00 0.00 H new ATOM 0 HA ASP A 74 15.715 -16.994 0.348 1.00 0.00 H new ATOM 0 HB2 ASP A 74 16.076 -14.628 -0.350 1.00 0.00 H new ATOM 0 HB3 ASP A 74 15.903 -15.717 -1.713 1.00 0.00 H new ATOM 1147 N ASN A 75 15.100 -14.962 2.029 1.00 0.00 N ATOM 1148 CA ASN A 75 14.662 -14.308 3.256 1.00 0.00 C ATOM 1149 C ASN A 75 14.241 -15.337 4.301 1.00 0.00 C ATOM 1150 O ASN A 75 13.088 -15.765 4.334 1.00 0.00 O ATOM 1151 CB ASN A 75 13.501 -13.356 2.965 1.00 0.00 C ATOM 1152 CG ASN A 75 13.442 -12.199 3.943 1.00 0.00 C ATOM 1153 OD1 ASN A 75 14.463 -11.595 4.269 1.00 0.00 O ATOM 1154 ND2 ASN A 75 12.241 -11.886 4.417 1.00 0.00 N ATOM 0 H ASN A 75 16.067 -14.767 1.770 1.00 0.00 H new ATOM 0 HA ASN A 75 15.501 -13.736 3.652 1.00 0.00 H new ATOM 0 HB2 ASN A 75 13.599 -12.967 1.952 1.00 0.00 H new ATOM 0 HB3 ASN A 75 12.563 -13.909 3.004 1.00 0.00 H new ATOM 0 HD21 ASN A 75 12.139 -11.117 5.079 1.00 0.00 H new ATOM 0 HD22 ASN A 75 11.421 -12.415 4.119 1.00 0.00 H new ATOM 1161 N GLU A 76 15.186 -15.728 5.151 1.00 0.00 N ATOM 1162 CA GLU A 76 14.919 -16.707 6.200 1.00 0.00 C ATOM 1163 C GLU A 76 14.523 -18.056 5.604 1.00 0.00 C ATOM 1164 O GLU A 76 15.344 -18.969 5.512 1.00 0.00 O ATOM 1165 CB GLU A 76 13.817 -16.201 7.136 1.00 0.00 C ATOM 1166 CG GLU A 76 14.246 -15.027 8.000 1.00 0.00 C ATOM 1167 CD GLU A 76 13.525 -14.992 9.334 1.00 0.00 C ATOM 1168 OE1 GLU A 76 13.947 -15.721 10.256 1.00 0.00 O ATOM 1169 OE2 GLU A 76 12.539 -14.235 9.456 1.00 0.00 O ATOM 0 H GLU A 76 16.145 -15.381 5.134 1.00 0.00 H new ATOM 0 HA GLU A 76 15.836 -16.843 6.774 1.00 0.00 H new ATOM 0 HB2 GLU A 76 12.953 -15.907 6.541 1.00 0.00 H new ATOM 0 HB3 GLU A 76 13.496 -17.019 7.782 1.00 0.00 H new ATOM 0 HG2 GLU A 76 15.321 -15.081 8.173 1.00 0.00 H new ATOM 0 HG3 GLU A 76 14.056 -14.097 7.464 1.00 0.00 H new ATOM 1176 N GLY A 77 13.262 -18.175 5.199 1.00 0.00 N ATOM 1177 CA GLY A 77 12.785 -19.415 4.617 1.00 0.00 C ATOM 1178 C GLY A 77 11.304 -19.372 4.293 1.00 0.00 C ATOM 1179 O GLY A 77 10.463 -19.494 5.183 1.00 0.00 O ATOM 0 H GLY A 77 12.563 -17.435 5.264 1.00 0.00 H new ATOM 0 HA2 GLY A 77 13.347 -19.625 3.707 1.00 0.00 H new ATOM 0 HA3 GLY A 77 12.979 -20.235 5.308 1.00 0.00 H new ATOM 1183 N ASN A 78 10.986 -19.197 3.014 1.00 0.00 N ATOM 1184 CA ASN A 78 9.597 -19.138 2.573 1.00 0.00 C ATOM 1185 C ASN A 78 9.514 -19.015 1.055 1.00 0.00 C ATOM 1186 O ASN A 78 9.950 -18.019 0.478 1.00 0.00 O ATOM 1187 CB ASN A 78 8.880 -17.959 3.234 1.00 0.00 C ATOM 1188 CG ASN A 78 8.069 -18.380 4.444 1.00 0.00 C ATOM 1189 OD1 ASN A 78 7.201 -19.248 4.352 1.00 0.00 O ATOM 1190 ND2 ASN A 78 8.348 -17.764 5.587 1.00 0.00 N ATOM 0 H ASN A 78 11.671 -19.094 2.265 1.00 0.00 H new ATOM 0 HA ASN A 78 9.106 -20.065 2.871 1.00 0.00 H new ATOM 0 HB2 ASN A 78 9.615 -17.213 3.535 1.00 0.00 H new ATOM 0 HB3 ASN A 78 8.222 -17.483 2.507 1.00 0.00 H new ATOM 0 HD21 ASN A 78 7.834 -18.005 6.435 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.076 -17.050 5.617 1.00 0.00 H new ATOM 1197 N GLU A 79 8.951 -20.034 0.414 1.00 0.00 N ATOM 1198 CA GLU A 79 8.810 -20.041 -1.038 1.00 0.00 C ATOM 1199 C GLU A 79 7.971 -18.856 -1.509 1.00 0.00 C ATOM 1200 O GLU A 79 6.741 -18.907 -1.489 1.00 0.00 O ATOM 1201 CB GLU A 79 8.173 -21.353 -1.502 1.00 0.00 C ATOM 1202 CG GLU A 79 8.921 -22.020 -2.645 1.00 0.00 C ATOM 1203 CD GLU A 79 7.989 -22.616 -3.682 1.00 0.00 C ATOM 1204 OE1 GLU A 79 7.094 -21.889 -4.163 1.00 0.00 O ATOM 1205 OE2 GLU A 79 8.155 -23.808 -4.014 1.00 0.00 O ATOM 0 H GLU A 79 8.585 -20.866 0.877 1.00 0.00 H new ATOM 0 HA GLU A 79 9.804 -19.954 -1.477 1.00 0.00 H new ATOM 0 HB2 GLU A 79 8.125 -22.042 -0.659 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.147 -21.159 -1.814 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.572 -21.289 -3.124 1.00 0.00 H new ATOM 0 HG3 GLU A 79 9.563 -22.805 -2.245 1.00 0.00 H new ATOM 1212 N VAL A 80 8.645 -17.792 -1.932 1.00 0.00 N ATOM 1213 CA VAL A 80 7.962 -16.595 -2.408 1.00 0.00 C ATOM 1214 C VAL A 80 7.990 -16.516 -3.931 1.00 0.00 C ATOM 1215 O VAL A 80 8.954 -16.943 -4.567 1.00 0.00 O ATOM 1216 CB VAL A 80 8.595 -15.317 -1.822 1.00 0.00 C ATOM 1217 CG1 VAL A 80 10.049 -15.192 -2.251 1.00 0.00 C ATOM 1218 CG2 VAL A 80 7.801 -14.087 -2.235 1.00 0.00 C ATOM 0 H VAL A 80 9.663 -17.734 -1.955 1.00 0.00 H new ATOM 0 HA VAL A 80 6.928 -16.664 -2.071 1.00 0.00 H new ATOM 0 HB VAL A 80 8.568 -15.389 -0.735 1.00 0.00 H new ATOM 0 HG11 VAL A 80 10.477 -14.284 -1.827 1.00 0.00 H new ATOM 0 HG12 VAL A 80 10.609 -16.057 -1.896 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.105 -15.146 -3.339 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.264 -13.196 -1.811 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.791 -14.009 -3.322 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.778 -14.174 -1.868 1.00 0.00 H new ATOM 1228 N VAL A 81 6.926 -15.968 -4.509 1.00 0.00 N ATOM 1229 CA VAL A 81 6.829 -15.833 -5.958 1.00 0.00 C ATOM 1230 C VAL A 81 7.539 -14.569 -6.440 1.00 0.00 C ATOM 1231 O VAL A 81 7.398 -13.503 -5.840 1.00 0.00 O ATOM 1232 CB VAL A 81 5.359 -15.789 -6.418 1.00 0.00 C ATOM 1233 CG1 VAL A 81 5.271 -15.833 -7.936 1.00 0.00 C ATOM 1234 CG2 VAL A 81 4.571 -16.932 -5.797 1.00 0.00 C ATOM 0 H VAL A 81 6.120 -15.611 -3.997 1.00 0.00 H new ATOM 0 HA VAL A 81 7.313 -16.707 -6.393 1.00 0.00 H new ATOM 0 HB VAL A 81 4.920 -14.850 -6.080 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.225 -15.801 -8.241 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.798 -14.976 -8.356 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.727 -16.753 -8.300 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.535 -16.885 -6.133 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.008 -17.883 -6.101 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.604 -16.849 -4.711 1.00 0.00 H new ATOM 1244 N PRO A 82 8.316 -14.668 -7.534 1.00 0.00 N ATOM 1245 CA PRO A 82 9.046 -13.522 -8.088 1.00 0.00 C ATOM 1246 C PRO A 82 8.119 -12.515 -8.762 1.00 0.00 C ATOM 1247 O PRO A 82 8.225 -12.264 -9.963 1.00 0.00 O ATOM 1248 CB PRO A 82 9.980 -14.163 -9.117 1.00 0.00 C ATOM 1249 CG PRO A 82 9.278 -15.408 -9.535 1.00 0.00 C ATOM 1250 CD PRO A 82 8.545 -15.899 -8.316 1.00 0.00 C ATOM 0 HA PRO A 82 9.565 -12.956 -7.315 1.00 0.00 H new ATOM 0 HB2 PRO A 82 10.151 -13.500 -9.965 1.00 0.00 H new ATOM 0 HB3 PRO A 82 10.956 -14.384 -8.684 1.00 0.00 H new ATOM 0 HG2 PRO A 82 8.586 -15.210 -10.353 1.00 0.00 H new ATOM 0 HG3 PRO A 82 9.987 -16.155 -9.891 1.00 0.00 H new ATOM 0 HD2 PRO A 82 7.607 -16.387 -8.581 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.136 -16.625 -7.758 1.00 0.00 H new ATOM 1258 N LYS A 83 7.211 -11.940 -7.981 1.00 0.00 N ATOM 1259 CA LYS A 83 6.265 -10.960 -8.501 1.00 0.00 C ATOM 1260 C LYS A 83 6.172 -9.749 -7.575 1.00 0.00 C ATOM 1261 O LYS A 83 6.484 -9.840 -6.388 1.00 0.00 O ATOM 1262 CB LYS A 83 4.883 -11.594 -8.671 1.00 0.00 C ATOM 1263 CG LYS A 83 4.450 -12.437 -7.483 1.00 0.00 C ATOM 1264 CD LYS A 83 2.959 -12.726 -7.520 1.00 0.00 C ATOM 1265 CE LYS A 83 2.422 -13.062 -6.137 1.00 0.00 C ATOM 1266 NZ LYS A 83 1.383 -14.126 -6.188 1.00 0.00 N ATOM 0 H LYS A 83 7.110 -12.136 -6.985 1.00 0.00 H new ATOM 0 HA LYS A 83 6.625 -10.625 -9.474 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.148 -10.805 -8.833 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.886 -12.216 -9.566 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.004 -13.376 -7.480 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.698 -11.918 -6.557 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.429 -11.860 -7.917 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.765 -13.557 -8.199 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.243 -13.387 -5.498 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.001 -12.165 -5.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 1.043 -14.326 -5.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.588 -13.807 -6.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.791 -14.991 -6.597 1.00 0.00 H new ATOM 1280 N PRO A 84 5.740 -8.594 -8.110 1.00 0.00 N ATOM 1281 CA PRO A 84 5.607 -7.362 -7.325 1.00 0.00 C ATOM 1282 C PRO A 84 4.467 -7.440 -6.315 1.00 0.00 C ATOM 1283 O PRO A 84 3.337 -7.780 -6.664 1.00 0.00 O ATOM 1284 CB PRO A 84 5.312 -6.296 -8.382 1.00 0.00 C ATOM 1285 CG PRO A 84 4.695 -7.044 -9.513 1.00 0.00 C ATOM 1286 CD PRO A 84 5.347 -8.399 -9.518 1.00 0.00 C ATOM 0 HA PRO A 84 6.499 -7.158 -6.733 1.00 0.00 H new ATOM 0 HB2 PRO A 84 4.636 -5.533 -7.997 1.00 0.00 H new ATOM 0 HB3 PRO A 84 6.223 -5.786 -8.695 1.00 0.00 H new ATOM 0 HG2 PRO A 84 3.616 -7.130 -9.381 1.00 0.00 H new ATOM 0 HG3 PRO A 84 4.860 -6.528 -10.459 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.659 -9.175 -9.854 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.210 -8.427 -10.184 1.00 0.00 H new ATOM 1294 N GLN A 85 4.772 -7.122 -5.061 1.00 0.00 N ATOM 1295 CA GLN A 85 3.773 -7.156 -3.999 1.00 0.00 C ATOM 1296 C GLN A 85 2.932 -5.883 -4.003 1.00 0.00 C ATOM 1297 O GLN A 85 3.406 -4.816 -4.393 1.00 0.00 O ATOM 1298 CB GLN A 85 4.449 -7.330 -2.639 1.00 0.00 C ATOM 1299 CG GLN A 85 5.566 -6.332 -2.382 1.00 0.00 C ATOM 1300 CD GLN A 85 5.738 -6.015 -0.910 1.00 0.00 C ATOM 1301 OE1 GLN A 85 5.743 -6.911 -0.066 1.00 0.00 O ATOM 1302 NE2 GLN A 85 5.879 -4.733 -0.593 1.00 0.00 N ATOM 0 H GLN A 85 5.703 -6.838 -4.755 1.00 0.00 H new ATOM 0 HA GLN A 85 3.115 -8.006 -4.180 1.00 0.00 H new ATOM 0 HB2 GLN A 85 3.698 -7.232 -1.855 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.853 -8.340 -2.570 1.00 0.00 H new ATOM 0 HG2 GLN A 85 6.501 -6.730 -2.776 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.357 -5.411 -2.926 1.00 0.00 H new ATOM 0 HE21 GLN A 85 5.869 -4.023 -1.325 1.00 0.00 H new ATOM 0 HE22 GLN A 85 5.997 -4.459 0.382 1.00 0.00 H new ATOM 1311 N ARG A 86 1.683 -6.003 -3.567 1.00 0.00 N ATOM 1312 CA ARG A 86 0.776 -4.862 -3.521 1.00 0.00 C ATOM 1313 C ARG A 86 0.061 -4.789 -2.176 1.00 0.00 C ATOM 1314 O ARG A 86 -0.767 -5.642 -1.855 1.00 0.00 O ATOM 1315 CB ARG A 86 -0.249 -4.952 -4.653 1.00 0.00 C ATOM 1316 CG ARG A 86 0.371 -5.202 -6.018 1.00 0.00 C ATOM 1317 CD ARG A 86 -0.550 -6.023 -6.906 1.00 0.00 C ATOM 1318 NE ARG A 86 -0.480 -5.605 -8.303 1.00 0.00 N ATOM 1319 CZ ARG A 86 -1.156 -6.192 -9.288 1.00 0.00 C ATOM 1320 NH1 ARG A 86 -1.952 -7.223 -9.033 1.00 0.00 N ATOM 1321 NH2 ARG A 86 -1.035 -5.748 -10.532 1.00 0.00 N ATOM 0 H ARG A 86 1.275 -6.879 -3.240 1.00 0.00 H new ATOM 0 HA ARG A 86 1.367 -3.955 -3.647 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.953 -5.754 -4.431 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.822 -4.025 -4.688 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.589 -4.249 -6.500 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.321 -5.722 -5.897 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.283 -7.077 -6.829 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.576 -5.928 -6.550 1.00 0.00 H new ATOM 0 HE ARG A 86 0.123 -4.816 -8.538 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.048 -7.569 -8.078 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.468 -7.669 -9.792 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.424 -4.957 -10.734 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.553 -6.198 -11.287 1.00 0.00 H new ATOM 1335 N HIS A 87 0.384 -3.764 -1.393 1.00 0.00 N ATOM 1336 CA HIS A 87 -0.230 -3.580 -0.083 1.00 0.00 C ATOM 1337 C HIS A 87 -1.312 -2.507 -0.137 1.00 0.00 C ATOM 1338 O HIS A 87 -1.097 -1.421 -0.676 1.00 0.00 O ATOM 1339 CB HIS A 87 0.831 -3.199 0.951 1.00 0.00 C ATOM 1340 CG HIS A 87 1.889 -4.243 1.135 1.00 0.00 C ATOM 1341 ND1 HIS A 87 1.611 -5.534 1.534 1.00 0.00 N ATOM 1342 CD2 HIS A 87 3.232 -4.182 0.972 1.00 0.00 C ATOM 1343 CE1 HIS A 87 2.737 -6.221 1.608 1.00 0.00 C ATOM 1344 NE2 HIS A 87 3.734 -5.424 1.272 1.00 0.00 N ATOM 0 H HIS A 87 1.067 -3.049 -1.643 1.00 0.00 H new ATOM 0 HA HIS A 87 -0.692 -4.523 0.211 1.00 0.00 H new ATOM 0 HB2 HIS A 87 1.303 -2.264 0.648 1.00 0.00 H new ATOM 0 HB3 HIS A 87 0.344 -3.014 1.908 1.00 0.00 H new ATOM 0 HD1 HIS A 87 0.682 -5.901 1.740 1.00 0.00 H new ATOM 0 HD2 HIS A 87 3.802 -3.318 0.664 1.00 0.00 H new ATOM 0 HE1 HIS A 87 2.826 -7.258 1.895 1.00 0.00 H new ATOM 1353 N MET A 88 -2.477 -2.817 0.423 1.00 0.00 N ATOM 1354 CA MET A 88 -3.593 -1.878 0.436 1.00 0.00 C ATOM 1355 C MET A 88 -4.084 -1.627 1.858 1.00 0.00 C ATOM 1356 O MET A 88 -3.992 -2.499 2.722 1.00 0.00 O ATOM 1357 CB MET A 88 -4.744 -2.404 -0.426 1.00 0.00 C ATOM 1358 CG MET A 88 -5.088 -3.861 -0.163 1.00 0.00 C ATOM 1359 SD MET A 88 -6.023 -4.093 1.362 1.00 0.00 S ATOM 1360 CE MET A 88 -7.587 -3.342 0.919 1.00 0.00 C ATOM 0 H MET A 88 -2.673 -3.711 0.874 1.00 0.00 H new ATOM 0 HA MET A 88 -3.239 -0.934 0.022 1.00 0.00 H new ATOM 0 HB2 MET A 88 -5.629 -1.793 -0.247 1.00 0.00 H new ATOM 0 HB3 MET A 88 -4.482 -2.286 -1.477 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.666 -4.250 -1.001 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.168 -4.444 -0.112 1.00 0.00 H new ATOM 0 HE1 MET A 88 -8.353 -3.649 1.632 1.00 0.00 H new ATOM 0 HE2 MET A 88 -7.488 -2.257 0.938 1.00 0.00 H new ATOM 0 HE3 MET A 88 -7.874 -3.663 -0.082 1.00 0.00 H new ATOM 1370 N PHE A 89 -4.608 -0.428 2.091 1.00 0.00 N ATOM 1371 CA PHE A 89 -5.119 -0.057 3.406 1.00 0.00 C ATOM 1372 C PHE A 89 -6.330 0.860 3.275 1.00 0.00 C ATOM 1373 O PHE A 89 -6.415 1.663 2.346 1.00 0.00 O ATOM 1374 CB PHE A 89 -4.027 0.629 4.229 1.00 0.00 C ATOM 1375 CG PHE A 89 -3.505 1.892 3.604 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -2.760 1.846 2.437 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -3.758 3.123 4.186 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -2.277 3.006 1.861 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -3.278 4.287 3.615 1.00 0.00 C ATOM 1380 CZ PHE A 89 -2.536 4.228 2.451 1.00 0.00 C ATOM 0 H PHE A 89 -4.690 0.304 1.386 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.428 -0.967 3.920 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.421 0.860 5.219 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.199 -0.066 4.369 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.554 0.893 1.972 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.337 3.174 5.096 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.698 2.957 0.951 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.483 5.241 4.078 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.159 5.136 2.003 1.00 0.00 H new ATOM 1390 N SER A 90 -7.267 0.733 4.209 1.00 0.00 N ATOM 1391 CA SER A 90 -8.476 1.549 4.195 1.00 0.00 C ATOM 1392 C SER A 90 -8.231 2.903 4.854 1.00 0.00 C ATOM 1393 O SER A 90 -7.269 3.076 5.603 1.00 0.00 O ATOM 1394 CB SER A 90 -9.618 0.821 4.907 1.00 0.00 C ATOM 1395 OG SER A 90 -9.347 -0.565 5.023 1.00 0.00 O ATOM 0 H SER A 90 -7.212 0.073 4.985 1.00 0.00 H new ATOM 0 HA SER A 90 -8.755 1.718 3.155 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.765 1.250 5.898 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.547 0.968 4.356 1.00 0.00 H new ATOM 0 HG SER A 90 -9.586 -1.016 4.186 1.00 0.00 H new ATOM 1401 N PHE A 91 -9.109 3.859 4.570 1.00 0.00 N ATOM 1402 CA PHE A 91 -8.991 5.199 5.134 1.00 0.00 C ATOM 1403 C PHE A 91 -10.352 5.887 5.184 1.00 0.00 C ATOM 1404 O PHE A 91 -11.269 5.525 4.447 1.00 0.00 O ATOM 1405 CB PHE A 91 -8.009 6.037 4.312 1.00 0.00 C ATOM 1406 CG PHE A 91 -6.925 6.671 5.137 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -7.189 7.790 5.910 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -5.642 6.146 5.139 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -6.194 8.374 6.670 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -4.643 6.727 5.897 1.00 0.00 C ATOM 1411 CZ PHE A 91 -4.919 7.842 6.664 1.00 0.00 C ATOM 0 H PHE A 91 -9.911 3.731 3.952 1.00 0.00 H new ATOM 0 HA PHE A 91 -8.613 5.108 6.152 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -7.552 5.404 3.551 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -8.560 6.818 3.788 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.184 8.210 5.919 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.421 5.274 4.542 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.413 9.246 7.269 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.647 6.309 5.890 1.00 0.00 H new ATOM 0 HZ PHE A 91 -4.140 8.297 7.258 1.00 0.00 H new ATOM 1421 N ASN A 92 -10.476 6.881 6.058 1.00 0.00 N ATOM 1422 CA ASN A 92 -11.726 7.618 6.203 1.00 0.00 C ATOM 1423 C ASN A 92 -11.477 9.122 6.183 1.00 0.00 C ATOM 1424 O ASN A 92 -12.163 9.885 6.863 1.00 0.00 O ATOM 1425 CB ASN A 92 -12.428 7.223 7.503 1.00 0.00 C ATOM 1426 CG ASN A 92 -12.837 5.763 7.519 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -13.643 5.324 6.699 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -12.282 5.003 8.456 1.00 0.00 N ATOM 0 H ASN A 92 -9.727 7.194 6.676 1.00 0.00 H new ATOM 0 HA ASN A 92 -12.368 7.363 5.360 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -11.765 7.421 8.345 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -13.312 7.846 7.639 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -12.519 4.013 8.516 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -11.618 5.409 9.115 1.00 0.00 H new ATOM 1435 N ASN A 93 -10.491 9.543 5.397 1.00 0.00 N ATOM 1436 CA ASN A 93 -10.152 10.957 5.288 1.00 0.00 C ATOM 1437 C ASN A 93 -9.587 11.277 3.908 1.00 0.00 C ATOM 1438 O ASN A 93 -8.482 10.857 3.566 1.00 0.00 O ATOM 1439 CB ASN A 93 -9.140 11.345 6.368 1.00 0.00 C ATOM 1440 CG ASN A 93 -9.805 11.695 7.685 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -9.562 11.053 8.706 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -10.651 12.719 7.667 1.00 0.00 N ATOM 0 H ASN A 93 -9.913 8.925 4.827 1.00 0.00 H new ATOM 0 HA ASN A 93 -11.065 11.535 5.430 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -8.444 10.520 6.523 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -8.553 12.196 6.023 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -11.129 13.001 8.523 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -10.823 13.223 6.797 1.00 0.00 H new ATOM 1449 N ARG A 94 -10.354 12.023 3.119 1.00 0.00 N ATOM 1450 CA ARG A 94 -9.930 12.399 1.775 1.00 0.00 C ATOM 1451 C ARG A 94 -8.651 13.227 1.821 1.00 0.00 C ATOM 1452 O ARG A 94 -7.762 13.062 0.985 1.00 0.00 O ATOM 1453 CB ARG A 94 -11.037 13.186 1.070 1.00 0.00 C ATOM 1454 CG ARG A 94 -11.141 12.889 -0.417 1.00 0.00 C ATOM 1455 CD ARG A 94 -12.585 12.922 -0.892 1.00 0.00 C ATOM 1456 NE ARG A 94 -12.977 14.250 -1.358 1.00 0.00 N ATOM 1457 CZ ARG A 94 -12.610 14.762 -2.530 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -11.842 14.063 -3.357 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -13.011 15.978 -2.877 1.00 0.00 N ATOM 0 H ARG A 94 -11.272 12.379 3.387 1.00 0.00 H new ATOM 0 HA ARG A 94 -9.730 11.486 1.214 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -11.992 12.960 1.545 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -10.858 14.252 1.208 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -10.556 13.619 -0.977 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -10.711 11.909 -0.624 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -12.718 12.201 -1.698 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -13.242 12.615 -0.078 1.00 0.00 H new ATOM 0 HE ARG A 94 -13.566 14.818 -0.749 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -11.530 13.128 -3.095 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -11.564 14.461 -4.254 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -13.600 16.520 -2.245 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -12.730 16.371 -3.775 1.00 0.00 H new ATOM 1473 N THR A 95 -8.563 14.118 2.803 1.00 0.00 N ATOM 1474 CA THR A 95 -7.392 14.973 2.958 1.00 0.00 C ATOM 1475 C THR A 95 -6.194 14.168 3.452 1.00 0.00 C ATOM 1476 O THR A 95 -5.066 14.376 3.005 1.00 0.00 O ATOM 1477 CB THR A 95 -7.691 16.114 3.931 1.00 0.00 C ATOM 1478 OG1 THR A 95 -8.985 16.643 3.700 1.00 0.00 O ATOM 1479 CG2 THR A 95 -6.703 17.256 3.836 1.00 0.00 C ATOM 0 H THR A 95 -9.289 14.267 3.504 1.00 0.00 H new ATOM 0 HA THR A 95 -7.148 15.393 1.982 1.00 0.00 H new ATOM 0 HB THR A 95 -7.616 15.674 4.925 1.00 0.00 H new ATOM 0 HG1 THR A 95 -9.159 17.371 4.333 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.973 18.031 4.553 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.701 16.890 4.058 1.00 0.00 H new ATOM 0 HG23 THR A 95 -6.722 17.671 2.828 1.00 0.00 H new ATOM 1487 N VAL A 96 -6.448 13.248 4.377 1.00 0.00 N ATOM 1488 CA VAL A 96 -5.391 12.411 4.932 1.00 0.00 C ATOM 1489 C VAL A 96 -4.960 11.339 3.936 1.00 0.00 C ATOM 1490 O VAL A 96 -3.796 10.942 3.902 1.00 0.00 O ATOM 1491 CB VAL A 96 -5.840 11.731 6.239 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -4.677 10.998 6.890 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -6.437 12.753 7.195 1.00 0.00 C ATOM 0 H VAL A 96 -7.376 13.063 4.758 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.547 13.067 5.145 1.00 0.00 H new ATOM 0 HB VAL A 96 -6.610 10.998 5.998 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.015 10.525 7.812 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.300 10.236 6.208 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.881 11.707 7.117 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.749 12.254 8.113 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.690 13.511 7.430 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.301 13.227 6.728 1.00 0.00 H new ATOM 1503 N MET A 97 -5.907 10.875 3.127 1.00 0.00 N ATOM 1504 CA MET A 97 -5.625 9.849 2.130 1.00 0.00 C ATOM 1505 C MET A 97 -4.554 10.322 1.152 1.00 0.00 C ATOM 1506 O MET A 97 -3.744 9.529 0.671 1.00 0.00 O ATOM 1507 CB MET A 97 -6.901 9.484 1.369 1.00 0.00 C ATOM 1508 CG MET A 97 -7.677 8.338 1.998 1.00 0.00 C ATOM 1509 SD MET A 97 -7.396 6.766 1.162 1.00 0.00 S ATOM 1510 CE MET A 97 -7.958 7.157 -0.493 1.00 0.00 C ATOM 0 H MET A 97 -6.876 11.193 3.142 1.00 0.00 H new ATOM 0 HA MET A 97 -5.254 8.965 2.649 1.00 0.00 H new ATOM 0 HB2 MET A 97 -7.545 10.361 1.314 1.00 0.00 H new ATOM 0 HB3 MET A 97 -6.640 9.216 0.345 1.00 0.00 H new ATOM 0 HG2 MET A 97 -7.392 8.244 3.046 1.00 0.00 H new ATOM 0 HG3 MET A 97 -8.742 8.571 1.977 1.00 0.00 H new ATOM 0 HE1 MET A 97 -8.479 6.297 -0.913 1.00 0.00 H new ATOM 0 HE2 MET A 97 -8.636 8.009 -0.455 1.00 0.00 H new ATOM 0 HE3 MET A 97 -7.101 7.403 -1.120 1.00 0.00 H new ATOM 1520 N ASP A 98 -4.555 11.619 0.864 1.00 0.00 N ATOM 1521 CA ASP A 98 -3.583 12.199 -0.056 1.00 0.00 C ATOM 1522 C ASP A 98 -2.290 12.554 0.672 1.00 0.00 C ATOM 1523 O ASP A 98 -1.207 12.519 0.087 1.00 0.00 O ATOM 1524 CB ASP A 98 -4.163 13.445 -0.726 1.00 0.00 C ATOM 1525 CG ASP A 98 -5.432 13.147 -1.500 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -5.509 12.066 -2.121 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -6.349 13.995 -1.487 1.00 0.00 O ATOM 0 H ASP A 98 -5.218 12.289 1.254 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.356 11.456 -0.821 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -4.372 14.198 0.033 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -3.420 13.870 -1.401 1.00 0.00 H new ATOM 1532 N ASN A 99 -2.411 12.895 1.951 1.00 0.00 N ATOM 1533 CA ASN A 99 -1.251 13.257 2.758 1.00 0.00 C ATOM 1534 C ASN A 99 -0.255 12.104 2.827 1.00 0.00 C ATOM 1535 O ASN A 99 0.950 12.319 2.959 1.00 0.00 O ATOM 1536 CB ASN A 99 -1.688 13.655 4.169 1.00 0.00 C ATOM 1537 CG ASN A 99 -1.979 15.139 4.286 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -1.174 15.838 5.079 1.00 0.00 O flip ATOM 1539 ND2 ASN A 99 -2.915 15.651 3.672 1.00 0.00 N flip ATOM 0 H ASN A 99 -3.300 12.928 2.451 1.00 0.00 H new ATOM 0 HA ASN A 99 -0.762 14.108 2.284 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -2.579 13.090 4.444 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -0.907 13.383 4.879 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -3.508 15.076 3.074 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -3.098 16.651 3.761 1.00 0.00 H new ATOM 1546 N ILE A 100 -0.764 10.880 2.735 1.00 0.00 N ATOM 1547 CA ILE A 100 0.084 9.696 2.783 1.00 0.00 C ATOM 1548 C ILE A 100 0.797 9.488 1.451 1.00 0.00 C ATOM 1549 O ILE A 100 2.016 9.316 1.407 1.00 0.00 O ATOM 1550 CB ILE A 100 -0.732 8.432 3.123 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -1.513 8.637 4.423 1.00 0.00 C ATOM 1552 CG2 ILE A 100 0.181 7.219 3.231 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -0.630 8.777 5.644 1.00 0.00 C ATOM 0 H ILE A 100 -1.759 10.683 2.627 1.00 0.00 H new ATOM 0 HA ILE A 100 0.821 9.860 3.569 1.00 0.00 H new ATOM 0 HB ILE A 100 -1.444 8.252 2.317 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -2.132 9.529 4.328 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.189 7.794 4.568 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -0.413 6.337 3.471 1.00 0.00 H new ATOM 0 HG22 ILE A 100 0.694 7.064 2.282 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.917 7.386 4.017 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -1.251 8.919 6.528 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -0.029 7.875 5.764 1.00 0.00 H new ATOM 0 HD13 ILE A 100 0.028 9.637 5.521 1.00 0.00 H new ATOM 1565 N LYS A 101 0.029 9.507 0.367 1.00 0.00 N ATOM 1566 CA LYS A 101 0.585 9.324 -0.968 1.00 0.00 C ATOM 1567 C LYS A 101 1.520 10.474 -1.329 1.00 0.00 C ATOM 1568 O LYS A 101 2.610 10.257 -1.859 1.00 0.00 O ATOM 1569 CB LYS A 101 -0.538 9.221 -2.001 1.00 0.00 C ATOM 1570 CG LYS A 101 -0.145 8.453 -3.253 1.00 0.00 C ATOM 1571 CD LYS A 101 -1.332 7.711 -3.847 1.00 0.00 C ATOM 1572 CE LYS A 101 -2.425 8.672 -4.287 1.00 0.00 C ATOM 1573 NZ LYS A 101 -2.180 9.202 -5.657 1.00 0.00 N ATOM 0 H LYS A 101 -0.981 9.647 0.387 1.00 0.00 H new ATOM 0 HA LYS A 101 1.159 8.397 -0.972 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -1.399 8.735 -1.542 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -0.853 10.225 -2.285 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.261 9.144 -3.992 1.00 0.00 H new ATOM 0 HG3 LYS A 101 0.646 7.743 -3.012 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.002 7.118 -4.700 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -1.733 7.015 -3.111 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -3.388 8.162 -4.262 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -2.485 9.501 -3.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -2.947 9.853 -5.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -1.273 9.710 -5.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -2.149 8.413 -6.334 1.00 0.00 H new ATOM 1587 N MET A 102 1.088 11.697 -1.037 1.00 0.00 N ATOM 1588 CA MET A 102 1.889 12.879 -1.331 1.00 0.00 C ATOM 1589 C MET A 102 3.220 12.829 -0.587 1.00 0.00 C ATOM 1590 O MET A 102 4.233 13.334 -1.071 1.00 0.00 O ATOM 1591 CB MET A 102 1.120 14.151 -0.955 1.00 0.00 C ATOM 1592 CG MET A 102 0.993 14.375 0.543 1.00 0.00 C ATOM 1593 SD MET A 102 2.386 15.291 1.231 1.00 0.00 S ATOM 1594 CE MET A 102 1.557 16.750 1.857 1.00 0.00 C ATOM 0 H MET A 102 0.189 11.895 -0.598 1.00 0.00 H new ATOM 0 HA MET A 102 2.094 12.895 -2.402 1.00 0.00 H new ATOM 0 HB2 MET A 102 1.621 15.011 -1.400 1.00 0.00 H new ATOM 0 HB3 MET A 102 0.122 14.103 -1.391 1.00 0.00 H new ATOM 0 HG2 MET A 102 0.070 14.917 0.748 1.00 0.00 H new ATOM 0 HG3 MET A 102 0.914 13.411 1.045 1.00 0.00 H new ATOM 0 HE1 MET A 102 2.289 17.416 2.314 1.00 0.00 H new ATOM 0 HE2 MET A 102 1.059 17.266 1.036 1.00 0.00 H new ATOM 0 HE3 MET A 102 0.818 16.457 2.603 1.00 0.00 H new ATOM 1604 N THR A 103 3.209 12.214 0.591 1.00 0.00 N ATOM 1605 CA THR A 103 4.413 12.093 1.403 1.00 0.00 C ATOM 1606 C THR A 103 5.259 10.909 0.942 1.00 0.00 C ATOM 1607 O THR A 103 6.487 10.945 1.015 1.00 0.00 O ATOM 1608 CB THR A 103 4.042 11.930 2.878 1.00 0.00 C ATOM 1609 OG1 THR A 103 3.296 13.045 3.333 1.00 0.00 O ATOM 1610 CG2 THR A 103 5.242 11.780 3.789 1.00 0.00 C ATOM 0 H THR A 103 2.378 11.791 1.005 1.00 0.00 H new ATOM 0 HA THR A 103 4.999 13.004 1.283 1.00 0.00 H new ATOM 0 HB THR A 103 3.455 11.013 2.926 1.00 0.00 H new ATOM 0 HG1 THR A 103 2.436 13.076 2.865 1.00 0.00 H new ATOM 0 HG21 THR A 103 4.905 11.669 4.820 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.813 10.899 3.497 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.874 12.665 3.707 1.00 0.00 H new ATOM 1618 N LEU A 104 4.591 9.863 0.467 1.00 0.00 N ATOM 1619 CA LEU A 104 5.279 8.668 -0.007 1.00 0.00 C ATOM 1620 C LEU A 104 5.950 8.925 -1.353 1.00 0.00 C ATOM 1621 O LEU A 104 7.060 8.456 -1.605 1.00 0.00 O ATOM 1622 CB LEU A 104 4.292 7.503 -0.125 1.00 0.00 C ATOM 1623 CG LEU A 104 4.711 6.225 0.604 1.00 0.00 C ATOM 1624 CD1 LEU A 104 3.501 5.541 1.222 1.00 0.00 C ATOM 1625 CD2 LEU A 104 5.432 5.282 -0.349 1.00 0.00 C ATOM 0 H LEU A 104 3.574 9.819 0.400 1.00 0.00 H new ATOM 0 HA LEU A 104 6.051 8.409 0.717 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.325 7.825 0.263 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.151 7.272 -1.181 1.00 0.00 H new ATOM 0 HG LEU A 104 5.398 6.494 1.407 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.819 4.634 1.736 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.027 6.215 1.935 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.789 5.283 0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 104 5.723 4.378 0.185 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.768 5.019 -1.172 1.00 0.00 H new ATOM 0 HD23 LEU A 104 6.322 5.773 -0.743 1.00 0.00 H new ATOM 1637 N GLN A 105 5.268 9.672 -2.216 1.00 0.00 N ATOM 1638 CA GLN A 105 5.797 9.991 -3.537 1.00 0.00 C ATOM 1639 C GLN A 105 7.125 10.735 -3.429 1.00 0.00 C ATOM 1640 O GLN A 105 7.984 10.621 -4.303 1.00 0.00 O ATOM 1641 CB GLN A 105 4.789 10.833 -4.322 1.00 0.00 C ATOM 1642 CG GLN A 105 4.530 12.200 -3.710 1.00 0.00 C ATOM 1643 CD GLN A 105 3.945 13.183 -4.705 1.00 0.00 C ATOM 1644 OE1 GLN A 105 4.523 14.238 -4.967 1.00 0.00 O ATOM 1645 NE2 GLN A 105 2.790 12.841 -5.265 1.00 0.00 N ATOM 0 H GLN A 105 4.348 10.068 -2.024 1.00 0.00 H new ATOM 0 HA GLN A 105 5.970 9.054 -4.067 1.00 0.00 H new ATOM 0 HB2 GLN A 105 5.153 10.964 -5.341 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.847 10.289 -4.387 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.848 12.093 -2.867 1.00 0.00 H new ATOM 0 HG3 GLN A 105 5.464 12.600 -3.316 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.346 11.957 -5.018 1.00 0.00 H new ATOM 0 HE22 GLN A 105 2.347 13.463 -5.942 1.00 0.00 H new ATOM 1654 N GLN A 106 7.285 11.497 -2.352 1.00 0.00 N ATOM 1655 CA GLN A 106 8.508 12.260 -2.131 1.00 0.00 C ATOM 1656 C GLN A 106 9.648 11.349 -1.686 1.00 0.00 C ATOM 1657 O GLN A 106 10.804 11.560 -2.053 1.00 0.00 O ATOM 1658 CB GLN A 106 8.272 13.350 -1.084 1.00 0.00 C ATOM 1659 CG GLN A 106 7.848 14.683 -1.679 1.00 0.00 C ATOM 1660 CD GLN A 106 8.496 15.864 -0.983 1.00 0.00 C ATOM 1661 OE1 GLN A 106 8.002 16.347 0.035 1.00 0.00 O ATOM 1662 NE2 GLN A 106 9.609 16.336 -1.532 1.00 0.00 N ATOM 0 H GLN A 106 6.584 11.603 -1.619 1.00 0.00 H new ATOM 0 HA GLN A 106 8.789 12.727 -3.075 1.00 0.00 H new ATOM 0 HB2 GLN A 106 7.505 13.012 -0.387 1.00 0.00 H new ATOM 0 HB3 GLN A 106 9.186 13.493 -0.508 1.00 0.00 H new ATOM 0 HG2 GLN A 106 8.107 14.703 -2.738 1.00 0.00 H new ATOM 0 HG3 GLN A 106 6.764 14.778 -1.614 1.00 0.00 H new ATOM 0 HE21 GLN A 106 9.984 15.904 -2.377 1.00 0.00 H new ATOM 0 HE22 GLN A 106 10.089 17.130 -1.109 1.00 0.00 H new ATOM 1671 N ILE A 107 9.315 10.335 -0.894 1.00 0.00 N ATOM 1672 CA ILE A 107 10.311 9.392 -0.400 1.00 0.00 C ATOM 1673 C ILE A 107 10.816 8.490 -1.521 1.00 0.00 C ATOM 1674 O ILE A 107 12.000 8.157 -1.578 1.00 0.00 O ATOM 1675 CB ILE A 107 9.745 8.518 0.736 1.00 0.00 C ATOM 1676 CG1 ILE A 107 9.111 9.395 1.816 1.00 0.00 C ATOM 1677 CG2 ILE A 107 10.840 7.645 1.331 1.00 0.00 C ATOM 1678 CD1 ILE A 107 8.143 8.649 2.710 1.00 0.00 C ATOM 0 H ILE A 107 8.363 10.146 -0.581 1.00 0.00 H new ATOM 0 HA ILE A 107 11.141 9.982 -0.011 1.00 0.00 H new ATOM 0 HB ILE A 107 8.974 7.868 0.323 1.00 0.00 H new ATOM 0 HG12 ILE A 107 9.900 9.828 2.430 1.00 0.00 H new ATOM 0 HG13 ILE A 107 8.588 10.223 1.339 1.00 0.00 H new ATOM 0 HG21 ILE A 107 10.423 7.034 2.132 1.00 0.00 H new ATOM 0 HG22 ILE A 107 11.250 6.997 0.556 1.00 0.00 H new ATOM 0 HG23 ILE A 107 11.632 8.278 1.732 1.00 0.00 H new ATOM 0 HD11 ILE A 107 7.732 9.333 3.452 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.333 8.239 2.107 1.00 0.00 H new ATOM 0 HD13 ILE A 107 8.666 7.837 3.215 1.00 0.00 H new ATOM 1690 N ILE A 108 9.910 8.097 -2.411 1.00 0.00 N ATOM 1691 CA ILE A 108 10.265 7.234 -3.531 1.00 0.00 C ATOM 1692 C ILE A 108 11.025 8.009 -4.602 1.00 0.00 C ATOM 1693 O ILE A 108 12.036 7.539 -5.123 1.00 0.00 O ATOM 1694 CB ILE A 108 9.016 6.593 -4.166 1.00 0.00 C ATOM 1695 CG1 ILE A 108 8.139 5.953 -3.088 1.00 0.00 C ATOM 1696 CG2 ILE A 108 9.420 5.562 -5.210 1.00 0.00 C ATOM 1697 CD1 ILE A 108 6.704 5.745 -3.521 1.00 0.00 C ATOM 0 H ILE A 108 8.926 8.362 -2.378 1.00 0.00 H new ATOM 0 HA ILE A 108 10.905 6.446 -3.133 1.00 0.00 H new ATOM 0 HB ILE A 108 8.438 7.374 -4.661 1.00 0.00 H new ATOM 0 HG12 ILE A 108 8.568 4.991 -2.806 1.00 0.00 H new ATOM 0 HG13 ILE A 108 8.154 6.582 -2.198 1.00 0.00 H new ATOM 0 HG21 ILE A 108 8.526 5.119 -5.649 1.00 0.00 H new ATOM 0 HG22 ILE A 108 10.006 6.046 -5.991 1.00 0.00 H new ATOM 0 HG23 ILE A 108 10.018 4.782 -4.739 1.00 0.00 H new ATOM 0 HD11 ILE A 108 6.141 5.288 -2.707 1.00 0.00 H new ATOM 0 HD12 ILE A 108 6.258 6.706 -3.776 1.00 0.00 H new ATOM 0 HD13 ILE A 108 6.678 5.091 -4.393 1.00 0.00 H new ATOM 1709 N SER A 109 10.532 9.201 -4.924 1.00 0.00 N ATOM 1710 CA SER A 109 11.165 10.043 -5.933 1.00 0.00 C ATOM 1711 C SER A 109 12.602 10.375 -5.543 1.00 0.00 C ATOM 1712 O SER A 109 13.497 10.390 -6.388 1.00 0.00 O ATOM 1713 CB SER A 109 10.366 11.333 -6.124 1.00 0.00 C ATOM 1714 OG SER A 109 10.724 11.981 -7.332 1.00 0.00 O ATOM 0 H SER A 109 9.697 9.605 -4.501 1.00 0.00 H new ATOM 0 HA SER A 109 11.181 9.490 -6.872 1.00 0.00 H new ATOM 0 HB2 SER A 109 9.300 11.106 -6.132 1.00 0.00 H new ATOM 0 HB3 SER A 109 10.544 12.002 -5.282 1.00 0.00 H new ATOM 0 HG SER A 109 10.198 12.802 -7.431 1.00 0.00 H new ATOM 1720 N ARG A 110 12.815 10.641 -4.259 1.00 0.00 N ATOM 1721 CA ARG A 110 14.144 10.973 -3.758 1.00 0.00 C ATOM 1722 C ARG A 110 15.111 9.810 -3.963 1.00 0.00 C ATOM 1723 O ARG A 110 16.242 10.002 -4.410 1.00 0.00 O ATOM 1724 CB ARG A 110 14.074 11.340 -2.273 1.00 0.00 C ATOM 1725 CG ARG A 110 14.761 12.654 -1.939 1.00 0.00 C ATOM 1726 CD ARG A 110 15.038 12.775 -0.449 1.00 0.00 C ATOM 1727 NE ARG A 110 16.349 12.240 -0.090 1.00 0.00 N ATOM 1728 CZ ARG A 110 16.914 12.401 1.104 1.00 0.00 C ATOM 1729 NH1 ARG A 110 16.286 13.080 2.057 1.00 0.00 N ATOM 1730 NH2 ARG A 110 18.109 11.881 1.347 1.00 0.00 N ATOM 0 H ARG A 110 12.085 10.633 -3.546 1.00 0.00 H new ATOM 0 HA ARG A 110 14.514 11.830 -4.320 1.00 0.00 H new ATOM 0 HB2 ARG A 110 13.028 11.399 -1.971 1.00 0.00 H new ATOM 0 HB3 ARG A 110 14.531 10.542 -1.688 1.00 0.00 H new ATOM 0 HG2 ARG A 110 15.698 12.727 -2.491 1.00 0.00 H new ATOM 0 HG3 ARG A 110 14.135 13.486 -2.262 1.00 0.00 H new ATOM 0 HD2 ARG A 110 14.981 13.823 -0.154 1.00 0.00 H new ATOM 0 HD3 ARG A 110 14.265 12.244 0.107 1.00 0.00 H new ATOM 0 HE ARG A 110 16.862 11.712 -0.796 1.00 0.00 H new ATOM 0 HH11 ARG A 110 15.366 13.481 1.876 1.00 0.00 H new ATOM 0 HH12 ARG A 110 16.724 13.200 2.970 1.00 0.00 H new ATOM 0 HH21 ARG A 110 18.595 11.358 0.619 1.00 0.00 H new ATOM 0 HH22 ARG A 110 18.542 12.004 2.262 1.00 0.00 H new ATOM 1744 N TYR A 111 14.658 8.605 -3.634 1.00 0.00 N ATOM 1745 CA TYR A 111 15.484 7.411 -3.781 1.00 0.00 C ATOM 1746 C TYR A 111 15.299 6.772 -5.157 1.00 0.00 C ATOM 1747 O TYR A 111 15.787 5.670 -5.407 1.00 0.00 O ATOM 1748 CB TYR A 111 15.146 6.396 -2.688 1.00 0.00 C ATOM 1749 CG TYR A 111 14.975 7.010 -1.315 1.00 0.00 C ATOM 1750 CD1 TYR A 111 15.754 8.087 -0.911 1.00 0.00 C ATOM 1751 CD2 TYR A 111 14.033 6.511 -0.424 1.00 0.00 C ATOM 1752 CE1 TYR A 111 15.599 8.650 0.342 1.00 0.00 C ATOM 1753 CE2 TYR A 111 13.872 7.068 0.831 1.00 0.00 C ATOM 1754 CZ TYR A 111 14.658 8.137 1.209 1.00 0.00 C ATOM 1755 OH TYR A 111 14.501 8.695 2.457 1.00 0.00 O ATOM 0 H TYR A 111 13.724 8.429 -3.264 1.00 0.00 H new ATOM 0 HA TYR A 111 16.527 7.714 -3.683 1.00 0.00 H new ATOM 0 HB2 TYR A 111 14.228 5.876 -2.960 1.00 0.00 H new ATOM 0 HB3 TYR A 111 15.936 5.646 -2.645 1.00 0.00 H new ATOM 0 HD1 TYR A 111 16.493 8.491 -1.587 1.00 0.00 H new ATOM 0 HD2 TYR A 111 13.416 5.674 -0.717 1.00 0.00 H new ATOM 0 HE1 TYR A 111 16.212 9.488 0.640 1.00 0.00 H new ATOM 0 HE2 TYR A 111 13.135 6.668 1.512 1.00 0.00 H new ATOM 0 HH TYR A 111 14.910 8.111 3.130 1.00 0.00 H new ATOM 1765 N LYS A 112 14.593 7.466 -6.047 1.00 0.00 N ATOM 1766 CA LYS A 112 14.351 6.957 -7.392 1.00 0.00 C ATOM 1767 C LYS A 112 15.359 7.534 -8.381 1.00 0.00 C ATOM 1768 O LYS A 112 15.917 6.812 -9.207 1.00 0.00 O ATOM 1769 CB LYS A 112 12.928 7.296 -7.840 1.00 0.00 C ATOM 1770 CG LYS A 112 11.914 6.209 -7.517 1.00 0.00 C ATOM 1771 CD LYS A 112 11.370 5.557 -8.778 1.00 0.00 C ATOM 1772 CE LYS A 112 10.012 6.125 -9.157 1.00 0.00 C ATOM 1773 NZ LYS A 112 9.417 5.412 -10.321 1.00 0.00 N ATOM 0 H LYS A 112 14.180 8.380 -5.860 1.00 0.00 H new ATOM 0 HA LYS A 112 14.469 5.874 -7.370 1.00 0.00 H new ATOM 0 HB2 LYS A 112 12.617 8.225 -7.362 1.00 0.00 H new ATOM 0 HB3 LYS A 112 12.927 7.474 -8.915 1.00 0.00 H new ATOM 0 HG2 LYS A 112 12.380 5.451 -6.887 1.00 0.00 H new ATOM 0 HG3 LYS A 112 11.091 6.637 -6.944 1.00 0.00 H new ATOM 0 HD2 LYS A 112 12.071 5.709 -9.599 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.286 4.481 -8.625 1.00 0.00 H new ATOM 0 HE2 LYS A 112 9.337 6.053 -8.304 1.00 0.00 H new ATOM 0 HE3 LYS A 112 10.115 7.184 -9.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 8.492 5.829 -10.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 10.048 5.502 -11.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 9.295 4.406 -10.087 1.00 0.00 H new ATOM 1787 N ASP A 113 15.587 8.840 -8.291 1.00 0.00 N ATOM 1788 CA ASP A 113 16.528 9.515 -9.178 1.00 0.00 C ATOM 1789 C ASP A 113 17.968 9.236 -8.759 1.00 0.00 C ATOM 1790 O ASP A 113 18.870 9.186 -9.595 1.00 0.00 O ATOM 1791 CB ASP A 113 16.268 11.022 -9.181 1.00 0.00 C ATOM 1792 CG ASP A 113 16.473 11.642 -10.549 1.00 0.00 C ATOM 1793 OD1 ASP A 113 15.911 11.113 -11.531 1.00 0.00 O ATOM 1794 OD2 ASP A 113 17.196 12.657 -10.639 1.00 0.00 O ATOM 0 H ASP A 113 15.133 9.452 -7.613 1.00 0.00 H new ATOM 0 HA ASP A 113 16.381 9.126 -10.186 1.00 0.00 H new ATOM 0 HB2 ASP A 113 15.248 11.212 -8.848 1.00 0.00 H new ATOM 0 HB3 ASP A 113 16.932 11.504 -8.464 1.00 0.00 H new ATOM 1799 N ALA A 114 18.175 9.055 -7.459 1.00 0.00 N ATOM 1800 CA ALA A 114 19.505 8.781 -6.928 1.00 0.00 C ATOM 1801 C ALA A 114 20.062 7.477 -7.489 1.00 0.00 C ATOM 1802 O ALA A 114 21.269 7.342 -7.688 1.00 0.00 O ATOM 1803 CB ALA A 114 19.467 8.731 -5.408 1.00 0.00 C ATOM 0 H ALA A 114 17.439 9.093 -6.754 1.00 0.00 H new ATOM 0 HA ALA A 114 20.166 9.591 -7.237 1.00 0.00 H new ATOM 0 HB1 ALA A 114 20.467 8.526 -5.026 1.00 0.00 H new ATOM 0 HB2 ALA A 114 19.120 9.689 -5.021 1.00 0.00 H new ATOM 0 HB3 ALA A 114 18.787 7.942 -5.087 1.00 0.00 H new ATOM 1809 N ASP A 115 19.171 6.518 -7.739 1.00 0.00 N ATOM 1810 CA ASP A 115 19.560 5.215 -8.278 1.00 0.00 C ATOM 1811 C ASP A 115 20.801 4.669 -7.575 1.00 0.00 C ATOM 1812 O ASP A 115 21.030 5.042 -6.405 1.00 0.00 O ATOM 1813 CB ASP A 115 19.811 5.314 -9.785 1.00 0.00 C ATOM 1814 CG ASP A 115 20.993 6.202 -10.123 1.00 0.00 C ATOM 1815 OD1 ASP A 115 22.120 5.882 -9.689 1.00 0.00 O ATOM 1816 OD2 ASP A 115 20.792 7.218 -10.822 1.00 0.00 O ATOM 1817 OXT ASP A 115 21.532 3.872 -8.200 1.00 0.00 O ATOM 0 H ASP A 115 18.169 6.620 -7.576 1.00 0.00 H new ATOM 0 HA ASP A 115 18.737 4.523 -8.098 1.00 0.00 H new ATOM 0 HB2 ASP A 115 19.985 4.316 -10.187 1.00 0.00 H new ATOM 0 HB3 ASP A 115 18.918 5.703 -10.273 1.00 0.00 H new TER 1822 ASP A 115 ATOM 1823 N ASP B 453 -16.473 -13.388 -6.211 1.00 0.00 N ATOM 1824 CA ASP B 453 -15.496 -12.490 -6.815 1.00 0.00 C ATOM 1825 C ASP B 453 -15.343 -11.217 -5.989 1.00 0.00 C ATOM 1826 O ASP B 453 -15.113 -10.136 -6.532 1.00 0.00 O ATOM 1827 CB ASP B 453 -15.911 -12.137 -8.244 1.00 0.00 C ATOM 1828 CG ASP B 453 -14.726 -11.775 -9.118 1.00 0.00 C ATOM 1829 OD1 ASP B 453 -14.174 -10.668 -8.941 1.00 0.00 O ATOM 1830 OD2 ASP B 453 -14.349 -12.598 -9.978 1.00 0.00 O ATOM 0 HA ASP B 453 -14.535 -13.004 -6.840 1.00 0.00 H new ATOM 0 HB2 ASP B 453 -16.439 -12.982 -8.685 1.00 0.00 H new ATOM 0 HB3 ASP B 453 -16.610 -11.301 -8.220 1.00 0.00 H new ATOM 1835 N LEU B 454 -15.472 -11.352 -4.673 1.00 0.00 N ATOM 1836 CA LEU B 454 -15.348 -10.212 -3.772 1.00 0.00 C ATOM 1837 C LEU B 454 -13.883 -9.921 -3.461 1.00 0.00 C ATOM 1838 O LEU B 454 -13.501 -8.772 -3.245 1.00 0.00 O ATOM 1839 CB LEU B 454 -16.115 -10.475 -2.474 1.00 0.00 C ATOM 1840 CG LEU B 454 -17.608 -10.149 -2.526 1.00 0.00 C ATOM 1841 CD1 LEU B 454 -18.313 -10.676 -1.287 1.00 0.00 C ATOM 1842 CD2 LEU B 454 -17.820 -8.648 -2.665 1.00 0.00 C ATOM 0 H LEU B 454 -15.662 -12.239 -4.207 1.00 0.00 H new ATOM 0 HA LEU B 454 -15.775 -9.341 -4.268 1.00 0.00 H new ATOM 0 HB2 LEU B 454 -15.997 -11.525 -2.207 1.00 0.00 H new ATOM 0 HB3 LEU B 454 -15.659 -9.890 -1.676 1.00 0.00 H new ATOM 0 HG LEU B 454 -18.038 -10.640 -3.399 1.00 0.00 H new ATOM 0 HD11 LEU B 454 -19.374 -10.434 -1.342 1.00 0.00 H new ATOM 0 HD12 LEU B 454 -18.189 -11.757 -1.230 1.00 0.00 H new ATOM 0 HD13 LEU B 454 -17.881 -10.214 -0.399 1.00 0.00 H new ATOM 0 HD21 LEU B 454 -18.888 -8.433 -2.701 1.00 0.00 H new ATOM 0 HD22 LEU B 454 -17.375 -8.137 -1.811 1.00 0.00 H new ATOM 0 HD23 LEU B 454 -17.349 -8.297 -3.583 1.00 0.00 H new ATOM 1854 N ASP B 455 -13.069 -10.971 -3.440 1.00 0.00 N ATOM 1855 CA ASP B 455 -11.645 -10.829 -3.156 1.00 0.00 C ATOM 1856 C ASP B 455 -10.893 -10.325 -4.383 1.00 0.00 C ATOM 1857 O ASP B 455 -9.926 -9.573 -4.265 1.00 0.00 O ATOM 1858 CB ASP B 455 -11.059 -12.165 -2.697 1.00 0.00 C ATOM 1859 CG ASP B 455 -11.605 -12.605 -1.353 1.00 0.00 C ATOM 1860 OD1 ASP B 455 -11.027 -12.209 -0.319 1.00 0.00 O ATOM 1861 OD2 ASP B 455 -12.611 -13.345 -1.334 1.00 0.00 O ATOM 0 H ASP B 455 -13.370 -11.929 -3.616 1.00 0.00 H new ATOM 0 HA ASP B 455 -11.531 -10.097 -2.357 1.00 0.00 H new ATOM 0 HB2 ASP B 455 -11.277 -12.930 -3.443 1.00 0.00 H new ATOM 0 HB3 ASP B 455 -9.974 -12.081 -2.635 1.00 0.00 H new ATOM 1866 N GLU B 456 -11.344 -10.744 -5.561 1.00 0.00 N ATOM 1867 CA GLU B 456 -10.713 -10.335 -6.811 1.00 0.00 C ATOM 1868 C GLU B 456 -10.958 -8.855 -7.085 1.00 0.00 C ATOM 1869 O GLU B 456 -10.125 -8.179 -7.690 1.00 0.00 O ATOM 1870 CB GLU B 456 -11.245 -11.176 -7.973 1.00 0.00 C ATOM 1871 CG GLU B 456 -10.613 -12.555 -8.066 1.00 0.00 C ATOM 1872 CD GLU B 456 -10.726 -13.336 -6.771 1.00 0.00 C ATOM 1873 OE1 GLU B 456 -9.918 -13.084 -5.853 1.00 0.00 O ATOM 1874 OE2 GLU B 456 -11.624 -14.198 -6.675 1.00 0.00 O ATOM 0 H GLU B 456 -12.144 -11.366 -5.676 1.00 0.00 H new ATOM 0 HA GLU B 456 -9.639 -10.495 -6.717 1.00 0.00 H new ATOM 0 HB2 GLU B 456 -12.324 -11.287 -7.866 1.00 0.00 H new ATOM 0 HB3 GLU B 456 -11.070 -10.642 -8.907 1.00 0.00 H new ATOM 0 HG2 GLU B 456 -11.092 -13.117 -8.868 1.00 0.00 H new ATOM 0 HG3 GLU B 456 -9.561 -12.452 -8.333 1.00 0.00 H new ATOM 1881 N SER B 457 -12.106 -8.357 -6.636 1.00 0.00 N ATOM 1882 CA SER B 457 -12.460 -6.956 -6.833 1.00 0.00 C ATOM 1883 C SER B 457 -11.432 -6.036 -6.182 1.00 0.00 C ATOM 1884 O SER B 457 -11.213 -4.914 -6.637 1.00 0.00 O ATOM 1885 CB SER B 457 -13.849 -6.674 -6.257 1.00 0.00 C ATOM 1886 OG SER B 457 -14.865 -7.017 -7.184 1.00 0.00 O ATOM 0 H SER B 457 -12.806 -8.903 -6.134 1.00 0.00 H new ATOM 0 HA SER B 457 -12.470 -6.758 -7.905 1.00 0.00 H new ATOM 0 HB2 SER B 457 -13.986 -7.241 -5.336 1.00 0.00 H new ATOM 0 HB3 SER B 457 -13.931 -5.619 -5.997 1.00 0.00 H new ATOM 0 HG SER B 457 -15.076 -7.970 -7.100 1.00 0.00 H new ATOM 1892 N TRP B 458 -10.803 -6.519 -5.115 1.00 0.00 N ATOM 1893 CA TRP B 458 -9.797 -5.739 -4.402 1.00 0.00 C ATOM 1894 C TRP B 458 -8.653 -5.340 -5.331 1.00 0.00 C ATOM 1895 O TRP B 458 -7.997 -4.320 -5.119 1.00 0.00 O ATOM 1896 CB TRP B 458 -9.254 -6.537 -3.213 1.00 0.00 C ATOM 1897 CG TRP B 458 -9.720 -6.019 -1.887 1.00 0.00 C ATOM 1898 CD1 TRP B 458 -9.025 -6.029 -0.712 1.00 0.00 C ATOM 1899 CD2 TRP B 458 -10.986 -5.414 -1.600 1.00 0.00 C ATOM 1900 NE1 TRP B 458 -9.781 -5.468 0.288 1.00 0.00 N ATOM 1901 CE2 TRP B 458 -10.989 -5.082 -0.232 1.00 0.00 C ATOM 1902 CE3 TRP B 458 -12.118 -5.120 -2.367 1.00 0.00 C ATOM 1903 CZ2 TRP B 458 -12.079 -4.472 0.384 1.00 0.00 C ATOM 1904 CZ3 TRP B 458 -13.199 -4.515 -1.754 1.00 0.00 C ATOM 1905 CH2 TRP B 458 -13.172 -4.196 -0.390 1.00 0.00 C ATOM 0 H TRP B 458 -10.972 -7.446 -4.725 1.00 0.00 H new ATOM 0 HA TRP B 458 -10.272 -4.829 -4.035 1.00 0.00 H new ATOM 0 HB2 TRP B 458 -9.558 -7.579 -3.315 1.00 0.00 H new ATOM 0 HB3 TRP B 458 -8.164 -6.519 -3.240 1.00 0.00 H new ATOM 0 HD1 TRP B 458 -8.026 -6.421 -0.587 1.00 0.00 H new ATOM 0 HE1 TRP B 458 -9.491 -5.357 1.259 1.00 0.00 H new ATOM 0 HE3 TRP B 458 -12.147 -5.361 -3.419 1.00 0.00 H new ATOM 0 HZ2 TRP B 458 -12.062 -4.226 1.435 1.00 0.00 H new ATOM 0 HZ3 TRP B 458 -14.079 -4.284 -2.336 1.00 0.00 H new ATOM 0 HH2 TRP B 458 -14.032 -3.722 0.059 1.00 0.00 H new ATOM 1916 N ASP B 459 -8.420 -6.149 -6.359 1.00 0.00 N ATOM 1917 CA ASP B 459 -7.354 -5.878 -7.317 1.00 0.00 C ATOM 1918 C ASP B 459 -7.803 -4.861 -8.362 1.00 0.00 C ATOM 1919 O ASP B 459 -6.988 -4.117 -8.907 1.00 0.00 O ATOM 1920 CB ASP B 459 -6.918 -7.173 -8.005 1.00 0.00 C ATOM 1921 CG ASP B 459 -6.508 -8.244 -7.013 1.00 0.00 C ATOM 1922 OD1 ASP B 459 -5.403 -8.132 -6.441 1.00 0.00 O ATOM 1923 OD2 ASP B 459 -7.290 -9.196 -6.809 1.00 0.00 O ATOM 0 H ASP B 459 -8.954 -6.997 -6.550 1.00 0.00 H new ATOM 0 HA ASP B 459 -6.508 -5.460 -6.771 1.00 0.00 H new ATOM 0 HB2 ASP B 459 -7.735 -7.547 -8.622 1.00 0.00 H new ATOM 0 HB3 ASP B 459 -6.084 -6.963 -8.674 1.00 0.00 H new ATOM 1928 N TYR B 460 -9.103 -4.835 -8.639 1.00 0.00 N ATOM 1929 CA TYR B 460 -9.656 -3.909 -9.621 1.00 0.00 C ATOM 1930 C TYR B 460 -10.001 -2.569 -8.978 1.00 0.00 C ATOM 1931 O TYR B 460 -9.805 -1.513 -9.579 1.00 0.00 O ATOM 1932 CB TYR B 460 -10.902 -4.511 -10.274 1.00 0.00 C ATOM 1933 CG TYR B 460 -10.616 -5.244 -11.565 1.00 0.00 C ATOM 1934 CD1 TYR B 460 -9.617 -6.207 -11.632 1.00 0.00 C ATOM 1935 CD2 TYR B 460 -11.344 -4.972 -12.716 1.00 0.00 C ATOM 1936 CE1 TYR B 460 -9.351 -6.878 -12.811 1.00 0.00 C ATOM 1937 CE2 TYR B 460 -11.085 -5.640 -13.898 1.00 0.00 C ATOM 1938 CZ TYR B 460 -10.088 -6.591 -13.940 1.00 0.00 C ATOM 1939 OH TYR B 460 -9.827 -7.258 -15.115 1.00 0.00 O ATOM 0 H TYR B 460 -9.792 -5.444 -8.198 1.00 0.00 H new ATOM 0 HA TYR B 460 -8.899 -3.737 -10.386 1.00 0.00 H new ATOM 0 HB2 TYR B 460 -11.373 -5.199 -9.572 1.00 0.00 H new ATOM 0 HB3 TYR B 460 -11.620 -3.715 -10.470 1.00 0.00 H new ATOM 0 HD1 TYR B 460 -9.039 -6.435 -10.749 1.00 0.00 H new ATOM 0 HD2 TYR B 460 -12.125 -4.227 -12.687 1.00 0.00 H new ATOM 0 HE1 TYR B 460 -8.570 -7.623 -12.847 1.00 0.00 H new ATOM 0 HE2 TYR B 460 -11.661 -5.418 -14.784 1.00 0.00 H new ATOM 0 HH TYR B 460 -10.435 -6.939 -15.814 1.00 0.00 H new ATOM 1949 N ILE B 461 -10.517 -2.620 -7.754 1.00 0.00 N ATOM 1950 CA ILE B 461 -10.891 -1.409 -7.031 1.00 0.00 C ATOM 1951 C ILE B 461 -9.696 -0.472 -6.871 1.00 0.00 C ATOM 1952 O ILE B 461 -9.849 0.749 -6.866 1.00 0.00 O ATOM 1953 CB ILE B 461 -11.466 -1.741 -5.639 1.00 0.00 C ATOM 1954 CG1 ILE B 461 -11.946 -0.466 -4.941 1.00 0.00 C ATOM 1955 CG2 ILE B 461 -10.426 -2.458 -4.790 1.00 0.00 C ATOM 1956 CD1 ILE B 461 -12.522 -0.711 -3.563 1.00 0.00 C ATOM 0 H ILE B 461 -10.686 -3.486 -7.242 1.00 0.00 H new ATOM 0 HA ILE B 461 -11.660 -0.911 -7.622 1.00 0.00 H new ATOM 0 HB ILE B 461 -12.321 -2.405 -5.767 1.00 0.00 H new ATOM 0 HG12 ILE B 461 -11.111 0.230 -4.858 1.00 0.00 H new ATOM 0 HG13 ILE B 461 -12.702 0.016 -5.561 1.00 0.00 H new ATOM 0 HG21 ILE B 461 -10.849 -2.685 -3.811 1.00 0.00 H new ATOM 0 HG22 ILE B 461 -10.131 -3.385 -5.282 1.00 0.00 H new ATOM 0 HG23 ILE B 461 -9.552 -1.818 -4.668 1.00 0.00 H new ATOM 0 HD11 ILE B 461 -12.841 0.236 -3.128 1.00 0.00 H new ATOM 0 HD12 ILE B 461 -13.378 -1.382 -3.640 1.00 0.00 H new ATOM 0 HD13 ILE B 461 -11.762 -1.164 -2.926 1.00 0.00 H new ATOM 1968 N PHE B 462 -8.508 -1.053 -6.738 1.00 0.00 N ATOM 1969 CA PHE B 462 -7.289 -0.270 -6.576 1.00 0.00 C ATOM 1970 C PHE B 462 -6.614 -0.026 -7.922 1.00 0.00 C ATOM 1971 O PHE B 462 -5.966 1.001 -8.126 1.00 0.00 O ATOM 1972 CB PHE B 462 -6.323 -0.983 -5.629 1.00 0.00 C ATOM 1973 CG PHE B 462 -6.737 -0.908 -4.188 1.00 0.00 C ATOM 1974 CD1 PHE B 462 -7.000 0.315 -3.592 1.00 0.00 C ATOM 1975 CD2 PHE B 462 -6.865 -2.060 -3.429 1.00 0.00 C ATOM 1976 CE1 PHE B 462 -7.382 0.388 -2.266 1.00 0.00 C ATOM 1977 CE2 PHE B 462 -7.248 -1.994 -2.103 1.00 0.00 C ATOM 1978 CZ PHE B 462 -7.506 -0.769 -1.521 1.00 0.00 C ATOM 0 H PHE B 462 -8.364 -2.063 -6.739 1.00 0.00 H new ATOM 0 HA PHE B 462 -7.561 0.695 -6.148 1.00 0.00 H new ATOM 0 HB2 PHE B 462 -6.244 -2.030 -5.923 1.00 0.00 H new ATOM 0 HB3 PHE B 462 -5.330 -0.546 -5.737 1.00 0.00 H new ATOM 0 HD1 PHE B 462 -6.905 1.222 -4.171 1.00 0.00 H new ATOM 0 HD2 PHE B 462 -6.663 -3.021 -3.879 1.00 0.00 H new ATOM 0 HE1 PHE B 462 -7.583 1.347 -1.813 1.00 0.00 H new ATOM 0 HE2 PHE B 462 -7.345 -2.900 -1.523 1.00 0.00 H new ATOM 0 HZ PHE B 462 -7.804 -0.715 -0.484 1.00 0.00 H new ATOM 1988 N GLU B 463 -6.771 -0.976 -8.838 1.00 0.00 N ATOM 1989 CA GLU B 463 -6.176 -0.863 -10.165 1.00 0.00 C ATOM 1990 C GLU B 463 -6.812 0.280 -10.950 1.00 0.00 C ATOM 1991 O GLU B 463 -6.120 1.182 -11.422 1.00 0.00 O ATOM 1992 CB GLU B 463 -6.338 -2.177 -10.933 1.00 0.00 C ATOM 1993 CG GLU B 463 -5.180 -3.141 -10.739 1.00 0.00 C ATOM 1994 CD GLU B 463 -5.417 -4.480 -11.411 1.00 0.00 C ATOM 1995 OE1 GLU B 463 -6.557 -4.985 -11.341 1.00 0.00 O ATOM 1996 OE2 GLU B 463 -4.463 -5.022 -12.007 1.00 0.00 O ATOM 0 H GLU B 463 -7.305 -1.832 -8.686 1.00 0.00 H new ATOM 0 HA GLU B 463 -5.114 -0.650 -10.043 1.00 0.00 H new ATOM 0 HB2 GLU B 463 -7.261 -2.662 -10.616 1.00 0.00 H new ATOM 0 HB3 GLU B 463 -6.443 -1.957 -11.995 1.00 0.00 H new ATOM 0 HG2 GLU B 463 -4.269 -2.694 -11.138 1.00 0.00 H new ATOM 0 HG3 GLU B 463 -5.017 -3.298 -9.673 1.00 0.00 H new ATOM 2003 N THR B 464 -8.133 0.235 -11.086 1.00 0.00 N ATOM 2004 CA THR B 464 -8.862 1.267 -11.813 1.00 0.00 C ATOM 2005 C THR B 464 -9.217 2.432 -10.894 1.00 0.00 C ATOM 2006 O THR B 464 -9.627 2.231 -9.751 1.00 0.00 O ATOM 2007 CB THR B 464 -10.134 0.682 -12.430 1.00 0.00 C ATOM 2008 OG1 THR B 464 -10.844 1.674 -13.150 1.00 0.00 O ATOM 2009 CG2 THR B 464 -11.079 0.092 -11.405 1.00 0.00 C ATOM 0 H THR B 464 -8.720 -0.505 -10.702 1.00 0.00 H new ATOM 0 HA THR B 464 -8.218 1.640 -12.610 1.00 0.00 H new ATOM 0 HB THR B 464 -9.795 -0.117 -13.090 1.00 0.00 H new ATOM 0 HG1 THR B 464 -11.653 1.280 -13.538 1.00 0.00 H new ATOM 0 HG21 THR B 464 -11.960 -0.305 -11.909 1.00 0.00 H new ATOM 0 HG22 THR B 464 -10.576 -0.711 -10.866 1.00 0.00 H new ATOM 0 HG23 THR B 464 -11.382 0.867 -10.701 1.00 0.00 H new ATOM 2017 N THR B 465 -9.055 3.650 -11.401 1.00 0.00 N ATOM 2018 CA THR B 465 -9.358 4.847 -10.625 1.00 0.00 C ATOM 2019 C THR B 465 -10.233 5.808 -11.423 1.00 0.00 C ATOM 2020 O THR B 465 -10.130 7.026 -11.275 1.00 0.00 O ATOM 2021 CB THR B 465 -8.065 5.547 -10.204 1.00 0.00 C ATOM 2022 OG1 THR B 465 -7.180 4.634 -9.581 1.00 0.00 O ATOM 2023 CG2 THR B 465 -8.291 6.695 -9.244 1.00 0.00 C ATOM 0 H THR B 465 -8.716 3.834 -12.345 1.00 0.00 H new ATOM 0 HA THR B 465 -9.906 4.542 -9.734 1.00 0.00 H new ATOM 0 HB THR B 465 -7.639 5.944 -11.125 1.00 0.00 H new ATOM 0 HG1 THR B 465 -7.311 4.662 -8.610 1.00 0.00 H new ATOM 0 HG21 THR B 465 -7.333 7.147 -8.986 1.00 0.00 H new ATOM 0 HG22 THR B 465 -8.930 7.442 -9.714 1.00 0.00 H new ATOM 0 HG23 THR B 465 -8.772 6.323 -8.339 1.00 0.00 H new TER 2031 THR B 465