USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 897 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 59 MET CE :methyl -113:sc= -1.27 (180deg=-2.13!) USER MOD Set 1.2: A 88 MET CE :methyl -172:sc= -1.46 (180deg=-1.59) USER MOD Set 2.1: A 51 THR OG1 : rot 29:sc= 0.285 USER MOD Set 2.2: A 97 MET CE :methyl -121:sc= -0.832 (180deg=-0.805) USER MOD Set 3.1: A 28 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 39 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 13 SER OG : rot 46:sc= 1.33 USER MOD Set 4.2: A 32 THR OG1 : rot -171:sc= 1.55 USER MOD Set 5.1: A 2 SER OG : rot 180:sc= 0.0145 USER MOD Set 5.2: A 3 HIS : no HE2:sc= 0.0127 K(o=0.027,f=-1.1) 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= 0.00709 K(o=0.0071,f=-2) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 57:sc= 0.106 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS :FLIP no HD1:sc= -4.23! C(o=-4.9!,f=-4.2!) USER MOD Single : A 43 SER OG : rot 85:sc= 1.85 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -3.1 K(o=-3.1,f=-17!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 160:sc= -1.57 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 134:sc= -7.25! (180deg=-11.5!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 162:sc= -0.213 (180deg=-0.827) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 145:sc= -0.834 (180deg=-3.68!) USER MOD Single : A 75 ASN : amide:sc=-0.00376 X(o=-0.0038,f=-0.0038) USER MOD Single : A 78 ASN : amide:sc= -0.395 X(o=-0.4,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.341 X(o=-0.34,f=-0.34) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc=-0.00202 K(o=-0.002,f=-0.85) USER MOD Single : A 93 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.158 USER MOD Single : A 99 ASN : amide:sc= -0.297 X(o=-0.3,f=-0.036) USER MOD Single : A 101 LYS NZ :NH3+ 145:sc= -2.83! (180deg=-4.54!) USER MOD Single : A 102 MET CE :methyl 176:sc= -4.56! (180deg=-4.7!) USER MOD Single : A 103 THR OG1 : rot -150:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.623 K(o=-0.62,f=-3.7!) USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 30:sc= -0.24 USER MOD Single : A 112 LYS NZ :NH3+ 173:sc= -1.78 (180deg=-1.97) USER MOD ----------------------------------------------------------------- ATOM 17 N SER A 2 -11.215 -4.277 11.119 1.00 0.00 N ATOM 18 CA SER A 2 -10.182 -4.405 12.140 1.00 0.00 C ATOM 19 C SER A 2 -9.151 -5.457 11.746 1.00 0.00 C ATOM 20 O SER A 2 -9.379 -6.656 11.907 1.00 0.00 O ATOM 21 CB SER A 2 -10.810 -4.771 13.487 1.00 0.00 C ATOM 22 OG SER A 2 -9.848 -4.729 14.527 1.00 0.00 O ATOM 0 HA SER A 2 -9.676 -3.444 12.230 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.623 -4.081 13.712 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.245 -5.769 13.430 1.00 0.00 H new ATOM 0 HG SER A 2 -10.275 -4.965 15.377 1.00 0.00 H new ATOM 28 N HIS A 3 -8.016 -4.999 11.225 1.00 0.00 N ATOM 29 CA HIS A 3 -6.945 -5.895 10.804 1.00 0.00 C ATOM 30 C HIS A 3 -7.396 -6.779 9.652 1.00 0.00 C ATOM 31 O HIS A 3 -6.968 -7.926 9.522 1.00 0.00 O ATOM 32 CB HIS A 3 -6.474 -6.746 11.981 1.00 0.00 C ATOM 33 CG HIS A 3 -5.866 -5.933 13.076 1.00 0.00 C ATOM 34 ND1 HIS A 3 -6.613 -5.314 14.055 1.00 0.00 N ATOM 35 CD2 HIS A 3 -4.575 -5.619 13.332 1.00 0.00 C ATOM 36 CE1 HIS A 3 -5.809 -4.650 14.864 1.00 0.00 C ATOM 37 NE2 HIS A 3 -4.567 -4.820 14.451 1.00 0.00 N ATOM 0 H HIS A 3 -7.815 -4.009 11.084 1.00 0.00 H new ATOM 0 HA HIS A 3 -6.109 -5.288 10.455 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -7.319 -7.308 12.378 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.744 -7.475 11.628 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -7.628 -5.362 14.141 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -3.713 -5.936 12.764 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -6.116 -4.066 15.719 1.00 0.00 H new ATOM 46 N SER A 4 -8.253 -6.222 8.810 1.00 0.00 N ATOM 47 CA SER A 4 -8.765 -6.928 7.646 1.00 0.00 C ATOM 48 C SER A 4 -9.739 -6.052 6.874 1.00 0.00 C ATOM 49 O SER A 4 -10.078 -4.951 7.305 1.00 0.00 O ATOM 50 CB SER A 4 -9.455 -8.233 8.045 1.00 0.00 C ATOM 51 OG SER A 4 -10.473 -8.002 9.004 1.00 0.00 O ATOM 0 H SER A 4 -8.612 -5.273 8.913 1.00 0.00 H new ATOM 0 HA SER A 4 -7.914 -7.168 7.009 1.00 0.00 H new ATOM 0 HB2 SER A 4 -9.884 -8.705 7.161 1.00 0.00 H new ATOM 0 HB3 SER A 4 -8.719 -8.927 8.452 1.00 0.00 H new ATOM 0 HG SER A 4 -10.899 -8.852 9.240 1.00 0.00 H new ATOM 57 N GLY A 5 -10.185 -6.552 5.731 1.00 0.00 N ATOM 58 CA GLY A 5 -11.117 -5.804 4.918 1.00 0.00 C ATOM 59 C GLY A 5 -11.029 -6.166 3.458 1.00 0.00 C ATOM 60 O GLY A 5 -9.979 -6.020 2.832 1.00 0.00 O ATOM 0 H GLY A 5 -9.918 -7.461 5.354 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -12.131 -5.986 5.274 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.924 -4.738 5.037 1.00 0.00 H new ATOM 64 N ALA A 6 -12.138 -6.645 2.918 1.00 0.00 N ATOM 65 CA ALA A 6 -12.201 -7.040 1.522 1.00 0.00 C ATOM 66 C ALA A 6 -11.590 -5.976 0.616 1.00 0.00 C ATOM 67 O ALA A 6 -12.175 -4.915 0.395 1.00 0.00 O ATOM 68 CB ALA A 6 -13.635 -7.342 1.131 1.00 0.00 C ATOM 0 H ALA A 6 -13.011 -6.770 3.430 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.611 -7.947 1.393 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.672 -7.637 0.082 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.018 -8.153 1.750 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -14.248 -6.453 1.279 1.00 0.00 H new ATOM 74 N ALA A 7 -10.394 -6.268 0.111 1.00 0.00 N ATOM 75 CA ALA A 7 -9.675 -5.336 -0.755 1.00 0.00 C ATOM 76 C ALA A 7 -9.390 -5.943 -2.127 1.00 0.00 C ATOM 77 O ALA A 7 -9.237 -7.155 -2.259 1.00 0.00 O ATOM 78 CB ALA A 7 -8.367 -4.923 -0.091 1.00 0.00 C ATOM 0 H ALA A 7 -9.901 -7.144 0.287 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.308 -4.461 -0.904 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -7.833 -4.228 -0.739 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.580 -4.439 0.862 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.751 -5.806 0.080 1.00 0.00 H new ATOM 84 N ILE A 8 -9.297 -5.092 -3.145 1.00 0.00 N ATOM 85 CA ILE A 8 -9.007 -5.555 -4.499 1.00 0.00 C ATOM 86 C ILE A 8 -7.537 -5.353 -4.821 1.00 0.00 C ATOM 87 O ILE A 8 -7.014 -4.243 -4.727 1.00 0.00 O ATOM 88 CB ILE A 8 -9.878 -4.839 -5.559 1.00 0.00 C ATOM 89 CG1 ILE A 8 -11.207 -5.572 -5.716 1.00 0.00 C ATOM 90 CG2 ILE A 8 -9.171 -4.738 -6.907 1.00 0.00 C ATOM 91 CD1 ILE A 8 -12.396 -4.753 -5.293 1.00 0.00 C ATOM 0 H ILE A 8 -9.418 -4.083 -3.059 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.248 -6.618 -4.534 1.00 0.00 H new ATOM 0 HB ILE A 8 -10.058 -3.822 -5.209 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.330 -5.866 -6.758 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -11.179 -6.489 -5.127 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -9.819 -4.229 -7.620 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -8.245 -4.174 -6.791 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.943 -5.739 -7.274 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -13.307 -5.336 -5.431 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -12.295 -4.481 -4.242 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -12.449 -3.848 -5.899 1.00 0.00 H new ATOM 103 N PHE A 9 -6.878 -6.432 -5.203 1.00 0.00 N ATOM 104 CA PHE A 9 -5.459 -6.367 -5.543 1.00 0.00 C ATOM 105 C PHE A 9 -5.238 -6.628 -7.027 1.00 0.00 C ATOM 106 O PHE A 9 -5.746 -7.601 -7.581 1.00 0.00 O ATOM 107 CB PHE A 9 -4.659 -7.369 -4.712 1.00 0.00 C ATOM 108 CG PHE A 9 -3.175 -7.137 -4.769 1.00 0.00 C ATOM 109 CD1 PHE A 9 -2.644 -5.898 -4.449 1.00 0.00 C ATOM 110 CD2 PHE A 9 -2.314 -8.155 -5.144 1.00 0.00 C ATOM 111 CE1 PHE A 9 -1.281 -5.678 -4.503 1.00 0.00 C ATOM 112 CE2 PHE A 9 -0.950 -7.941 -5.199 1.00 0.00 C ATOM 113 CZ PHE A 9 -0.432 -6.702 -4.878 1.00 0.00 C ATOM 0 H PHE A 9 -7.294 -7.359 -5.287 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.109 -5.360 -5.315 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -4.989 -7.315 -3.674 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.876 -8.378 -5.064 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.303 -5.095 -4.154 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.713 -9.126 -5.396 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.880 -4.707 -4.253 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.289 -8.743 -5.493 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.634 -6.534 -4.920 1.00 0.00 H new ATOM 123 N GLU A 10 -4.471 -5.749 -7.669 1.00 0.00 N ATOM 124 CA GLU A 10 -4.181 -5.885 -9.091 1.00 0.00 C ATOM 125 C GLU A 10 -5.464 -5.943 -9.907 1.00 0.00 C ATOM 126 O GLU A 10 -5.537 -6.648 -10.913 1.00 0.00 O ATOM 127 CB GLU A 10 -3.347 -7.143 -9.343 1.00 0.00 C ATOM 128 CG GLU A 10 -2.077 -7.201 -8.511 1.00 0.00 C ATOM 129 CD GLU A 10 -1.225 -8.414 -8.829 1.00 0.00 C ATOM 130 OE1 GLU A 10 -1.729 -9.333 -9.508 1.00 0.00 O ATOM 131 OE2 GLU A 10 -0.052 -8.447 -8.397 1.00 0.00 O ATOM 0 H GLU A 10 -4.041 -4.937 -7.226 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.613 -5.009 -9.405 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.954 -8.022 -9.127 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.083 -7.189 -10.400 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.493 -6.297 -8.683 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.340 -7.214 -7.453 1.00 0.00 H new ATOM 138 N LYS A 11 -6.484 -5.211 -9.455 1.00 0.00 N ATOM 139 CA LYS A 11 -7.773 -5.195 -10.135 1.00 0.00 C ATOM 140 C LYS A 11 -8.544 -6.478 -9.836 1.00 0.00 C ATOM 141 O LYS A 11 -9.661 -6.670 -10.318 1.00 0.00 O ATOM 142 CB LYS A 11 -7.599 -5.026 -11.649 1.00 0.00 C ATOM 143 CG LYS A 11 -6.617 -3.932 -12.029 1.00 0.00 C ATOM 144 CD LYS A 11 -6.588 -3.706 -13.533 1.00 0.00 C ATOM 145 CE LYS A 11 -5.507 -2.714 -13.927 1.00 0.00 C ATOM 146 NZ LYS A 11 -6.032 -1.322 -14.003 1.00 0.00 N ATOM 0 H LYS A 11 -6.439 -4.624 -8.622 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.340 -4.342 -9.761 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.261 -5.970 -12.075 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.568 -4.804 -12.095 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.891 -3.005 -11.526 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.619 -4.200 -11.681 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.415 -4.655 -14.041 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.559 -3.339 -13.865 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.694 -2.756 -13.202 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.089 -2.997 -14.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.264 -0.676 -14.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.791 -1.275 -14.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.408 -1.042 -13.075 1.00 0.00 H new ATOM 160 N VAL A 12 -7.949 -7.346 -9.017 1.00 0.00 N ATOM 161 CA VAL A 12 -8.586 -8.590 -8.635 1.00 0.00 C ATOM 162 C VAL A 12 -9.201 -8.438 -7.267 1.00 0.00 C ATOM 163 O VAL A 12 -8.777 -7.606 -6.469 1.00 0.00 O ATOM 164 CB VAL A 12 -7.602 -9.774 -8.637 1.00 0.00 C ATOM 165 CG1 VAL A 12 -8.195 -10.986 -7.928 1.00 0.00 C ATOM 166 CG2 VAL A 12 -7.239 -10.120 -10.060 1.00 0.00 C ATOM 0 H VAL A 12 -7.025 -7.203 -8.609 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.357 -8.809 -9.374 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.703 -9.483 -8.093 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.477 -11.806 -7.946 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.424 -10.727 -6.894 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.109 -11.294 -8.436 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.542 -10.958 -10.064 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.140 -10.394 -10.609 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.772 -9.258 -10.536 1.00 0.00 H new ATOM 176 N SER A 13 -10.213 -9.230 -7.004 1.00 0.00 N ATOM 177 CA SER A 13 -10.894 -9.146 -5.726 1.00 0.00 C ATOM 178 C SER A 13 -10.402 -10.187 -4.734 1.00 0.00 C ATOM 179 O SER A 13 -9.998 -11.289 -5.103 1.00 0.00 O ATOM 180 CB SER A 13 -12.396 -9.266 -5.913 1.00 0.00 C ATOM 181 OG SER A 13 -12.744 -10.491 -6.534 1.00 0.00 O ATOM 0 H SER A 13 -10.582 -9.932 -7.645 1.00 0.00 H new ATOM 0 HA SER A 13 -10.661 -8.167 -5.307 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.892 -9.194 -4.945 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.756 -8.434 -6.518 1.00 0.00 H new ATOM 0 HG SER A 13 -12.251 -11.224 -6.110 1.00 0.00 H new ATOM 187 N GLY A 14 -10.446 -9.805 -3.466 1.00 0.00 N ATOM 188 CA GLY A 14 -10.015 -10.663 -2.384 1.00 0.00 C ATOM 189 C GLY A 14 -10.079 -9.924 -1.069 1.00 0.00 C ATOM 190 O GLY A 14 -10.460 -8.755 -1.039 1.00 0.00 O ATOM 0 H GLY A 14 -10.782 -8.891 -3.163 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.647 -11.550 -2.341 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -8.997 -11.006 -2.567 1.00 0.00 H new ATOM 194 N ILE A 15 -9.709 -10.575 0.022 1.00 0.00 N ATOM 195 CA ILE A 15 -9.737 -9.910 1.312 1.00 0.00 C ATOM 196 C ILE A 15 -8.332 -9.591 1.775 1.00 0.00 C ATOM 197 O ILE A 15 -7.401 -10.373 1.579 1.00 0.00 O ATOM 198 CB ILE A 15 -10.474 -10.728 2.404 1.00 0.00 C ATOM 199 CG1 ILE A 15 -11.974 -10.883 2.086 1.00 0.00 C ATOM 200 CG2 ILE A 15 -10.314 -10.056 3.768 1.00 0.00 C ATOM 201 CD1 ILE A 15 -12.387 -10.465 0.690 1.00 0.00 C ATOM 0 H ILE A 15 -9.392 -11.544 0.041 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.299 -8.988 1.167 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.023 -11.720 2.425 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -12.254 -11.926 2.233 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.544 -10.296 2.807 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -10.836 -10.641 4.525 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.256 -9.996 4.022 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.736 -9.052 3.730 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -13.460 -10.613 0.568 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.147 -9.413 0.539 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -11.852 -11.068 -0.044 1.00 0.00 H new ATOM 213 N ILE A 16 -8.191 -8.437 2.399 1.00 0.00 N ATOM 214 CA ILE A 16 -6.911 -8.002 2.906 1.00 0.00 C ATOM 215 C ILE A 16 -6.921 -8.126 4.420 1.00 0.00 C ATOM 216 O ILE A 16 -7.739 -7.507 5.093 1.00 0.00 O ATOM 217 CB ILE A 16 -6.608 -6.539 2.477 1.00 0.00 C ATOM 218 CG1 ILE A 16 -5.410 -6.492 1.527 1.00 0.00 C ATOM 219 CG2 ILE A 16 -6.362 -5.633 3.673 1.00 0.00 C ATOM 220 CD1 ILE A 16 -5.098 -5.100 1.024 1.00 0.00 C ATOM 0 H ILE A 16 -8.955 -7.782 2.566 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.124 -8.631 2.490 1.00 0.00 H new ATOM 0 HB ILE A 16 -7.491 -6.168 1.957 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.534 -6.891 2.039 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.605 -7.143 0.675 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -6.154 -4.621 3.326 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -7.246 -5.624 4.310 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -5.509 -6.004 4.241 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.238 -5.139 0.355 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.959 -4.707 0.484 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.871 -4.450 1.869 1.00 0.00 H new ATOM 232 N ALA A 17 -6.031 -8.952 4.943 1.00 0.00 N ATOM 233 CA ALA A 17 -5.962 -9.177 6.377 1.00 0.00 C ATOM 234 C ALA A 17 -4.590 -8.817 6.928 1.00 0.00 C ATOM 235 O ALA A 17 -3.561 -9.168 6.350 1.00 0.00 O ATOM 236 CB ALA A 17 -6.322 -10.621 6.687 1.00 0.00 C ATOM 0 H ALA A 17 -5.347 -9.477 4.398 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.683 -8.524 6.869 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.269 -10.786 7.763 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.334 -10.827 6.337 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.622 -11.287 6.183 1.00 0.00 H new ATOM 242 N ILE A 18 -4.588 -8.097 8.045 1.00 0.00 N ATOM 243 CA ILE A 18 -3.351 -7.663 8.678 1.00 0.00 C ATOM 244 C ILE A 18 -3.128 -8.383 10.004 1.00 0.00 C ATOM 245 O ILE A 18 -4.065 -8.600 10.773 1.00 0.00 O ATOM 246 CB ILE A 18 -3.372 -6.137 8.903 1.00 0.00 C ATOM 247 CG1 ILE A 18 -3.407 -5.415 7.553 1.00 0.00 C ATOM 248 CG2 ILE A 18 -2.173 -5.684 9.726 1.00 0.00 C ATOM 249 CD1 ILE A 18 -3.675 -3.931 7.663 1.00 0.00 C ATOM 0 H ILE A 18 -5.434 -7.801 8.531 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.527 -7.915 8.011 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.270 -5.883 9.466 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.454 -5.566 7.045 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.177 -5.869 6.928 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.216 -4.604 9.868 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.191 -6.178 10.697 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.253 -5.945 9.203 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.685 -3.488 6.667 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.641 -3.770 8.141 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.892 -3.463 8.260 1.00 0.00 H new ATOM 261 N ASN A 19 -1.878 -8.753 10.265 1.00 0.00 N ATOM 262 CA ASN A 19 -1.527 -9.452 11.496 1.00 0.00 C ATOM 263 C ASN A 19 -0.361 -8.768 12.199 1.00 0.00 C ATOM 264 O ASN A 19 0.765 -8.768 11.698 1.00 0.00 O ATOM 265 CB ASN A 19 -1.171 -10.909 11.195 1.00 0.00 C ATOM 266 CG ASN A 19 -1.123 -11.763 12.447 1.00 0.00 C ATOM 267 OD1 ASN A 19 -1.642 -11.377 13.495 1.00 0.00 O ATOM 268 ND2 ASN A 19 -0.498 -12.931 12.344 1.00 0.00 N ATOM 0 H ASN A 19 -1.091 -8.580 9.640 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.392 -9.424 12.158 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.904 -11.324 10.503 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.203 -10.948 10.695 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.434 -13.548 13.153 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.082 -13.210 11.455 1.00 0.00 H new ATOM 275 N GLU A 20 -0.635 -8.189 13.363 1.00 0.00 N ATOM 276 CA GLU A 20 0.396 -7.506 14.138 1.00 0.00 C ATOM 277 C GLU A 20 1.129 -8.476 15.060 1.00 0.00 C ATOM 278 O GLU A 20 1.964 -8.066 15.866 1.00 0.00 O ATOM 279 CB GLU A 20 -0.218 -6.369 14.956 1.00 0.00 C ATOM 280 CG GLU A 20 -0.829 -5.267 14.105 1.00 0.00 C ATOM 281 CD GLU A 20 -1.310 -4.090 14.931 1.00 0.00 C ATOM 282 OE1 GLU A 20 -1.386 -4.225 16.171 1.00 0.00 O ATOM 283 OE2 GLU A 20 -1.613 -3.034 14.338 1.00 0.00 O ATOM 0 H GLU A 20 -1.561 -8.179 13.791 1.00 0.00 H new ATOM 0 HA GLU A 20 1.120 -7.091 13.437 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.987 -6.778 15.612 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.551 -5.937 15.597 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.091 -4.921 13.381 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.666 -5.674 13.537 1.00 0.00 H new ATOM 290 N ASP A 21 0.824 -9.765 14.931 1.00 0.00 N ATOM 291 CA ASP A 21 1.468 -10.786 15.744 1.00 0.00 C ATOM 292 C ASP A 21 2.860 -11.095 15.205 1.00 0.00 C ATOM 293 O ASP A 21 3.698 -11.661 15.906 1.00 0.00 O ATOM 294 CB ASP A 21 0.622 -12.059 15.763 1.00 0.00 C ATOM 295 CG ASP A 21 1.128 -13.077 16.767 1.00 0.00 C ATOM 296 OD1 ASP A 21 1.947 -12.702 17.634 1.00 0.00 O ATOM 297 OD2 ASP A 21 0.704 -14.249 16.689 1.00 0.00 O ATOM 0 H ASP A 21 0.135 -10.124 14.271 1.00 0.00 H new ATOM 0 HA ASP A 21 1.562 -10.408 16.762 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.410 -11.802 16.000 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.619 -12.505 14.768 1.00 0.00 H new ATOM 302 N VAL A 22 3.097 -10.716 13.952 1.00 0.00 N ATOM 303 CA VAL A 22 4.383 -10.948 13.315 1.00 0.00 C ATOM 304 C VAL A 22 5.230 -9.680 13.324 1.00 0.00 C ATOM 305 O VAL A 22 4.704 -8.571 13.236 1.00 0.00 O ATOM 306 CB VAL A 22 4.230 -11.443 11.858 1.00 0.00 C ATOM 307 CG1 VAL A 22 4.468 -12.943 11.773 1.00 0.00 C ATOM 308 CG2 VAL A 22 2.863 -11.084 11.289 1.00 0.00 C ATOM 0 H VAL A 22 2.412 -10.246 13.360 1.00 0.00 H new ATOM 0 HA VAL A 22 4.880 -11.727 13.893 1.00 0.00 H new ATOM 0 HB VAL A 22 4.984 -10.937 11.255 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.356 -13.271 10.740 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.476 -13.172 12.119 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.743 -13.463 12.400 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.789 -11.447 10.264 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.084 -11.547 11.895 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.737 -10.001 11.301 1.00 0.00 H new ATOM 318 N SER A 23 6.545 -9.849 13.434 1.00 0.00 N ATOM 319 CA SER A 23 7.458 -8.713 13.455 1.00 0.00 C ATOM 320 C SER A 23 8.476 -8.807 12.314 1.00 0.00 C ATOM 321 O SER A 23 9.297 -9.724 12.284 1.00 0.00 O ATOM 322 CB SER A 23 8.181 -8.642 14.802 1.00 0.00 C ATOM 323 OG SER A 23 9.410 -7.944 14.691 1.00 0.00 O ATOM 0 H SER A 23 7.000 -10.759 13.510 1.00 0.00 H new ATOM 0 HA SER A 23 6.873 -7.803 13.316 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.543 -8.146 15.534 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.365 -9.651 15.172 1.00 0.00 H new ATOM 0 HG SER A 23 9.849 -7.913 15.567 1.00 0.00 H new ATOM 329 N PRO A 24 8.440 -7.857 11.359 1.00 0.00 N ATOM 330 CA PRO A 24 7.485 -6.749 11.354 1.00 0.00 C ATOM 331 C PRO A 24 6.106 -7.191 10.878 1.00 0.00 C ATOM 332 O PRO A 24 5.992 -8.055 10.008 1.00 0.00 O ATOM 333 CB PRO A 24 8.091 -5.735 10.369 1.00 0.00 C ATOM 334 CG PRO A 24 9.391 -6.318 9.908 1.00 0.00 C ATOM 335 CD PRO A 24 9.334 -7.790 10.201 1.00 0.00 C ATOM 0 HA PRO A 24 7.335 -6.340 12.353 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.421 -5.565 9.526 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.248 -4.770 10.852 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.538 -6.141 8.842 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.229 -5.853 10.427 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.943 -8.356 9.355 1.00 0.00 H new ATOM 0 HD3 PRO A 24 10.320 -8.196 10.427 1.00 0.00 H new ATOM 343 N ALA A 25 5.063 -6.597 11.451 1.00 0.00 N ATOM 344 CA ALA A 25 3.688 -6.932 11.079 1.00 0.00 C ATOM 345 C ALA A 25 3.543 -7.033 9.564 1.00 0.00 C ATOM 346 O ALA A 25 4.138 -6.253 8.820 1.00 0.00 O ATOM 347 CB ALA A 25 2.723 -5.897 11.637 1.00 0.00 C ATOM 0 H ALA A 25 5.141 -5.882 12.174 1.00 0.00 H new ATOM 0 HA ALA A 25 3.446 -7.904 11.508 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.704 -6.159 11.352 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.802 -5.875 12.724 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.971 -4.915 11.235 1.00 0.00 H new ATOM 353 N GLU A 26 2.761 -8.008 9.108 1.00 0.00 N ATOM 354 CA GLU A 26 2.559 -8.211 7.680 1.00 0.00 C ATOM 355 C GLU A 26 1.079 -8.192 7.311 1.00 0.00 C ATOM 356 O GLU A 26 0.211 -8.436 8.149 1.00 0.00 O ATOM 357 CB GLU A 26 3.182 -9.539 7.245 1.00 0.00 C ATOM 358 CG GLU A 26 4.673 -9.631 7.523 1.00 0.00 C ATOM 359 CD GLU A 26 5.286 -10.916 6.998 1.00 0.00 C ATOM 360 OE1 GLU A 26 5.087 -11.972 7.635 1.00 0.00 O ATOM 361 OE2 GLU A 26 5.963 -10.866 5.952 1.00 0.00 O ATOM 0 H GLU A 26 2.260 -8.666 9.705 1.00 0.00 H new ATOM 0 HA GLU A 26 3.047 -7.388 7.158 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.674 -10.355 7.759 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.010 -9.679 6.178 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.177 -8.779 7.067 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.843 -9.564 8.598 1.00 0.00 H new ATOM 368 N LEU A 27 0.810 -7.908 6.043 1.00 0.00 N ATOM 369 CA LEU A 27 -0.551 -7.862 5.525 1.00 0.00 C ATOM 370 C LEU A 27 -0.696 -8.864 4.388 1.00 0.00 C ATOM 371 O LEU A 27 0.118 -8.882 3.466 1.00 0.00 O ATOM 372 CB LEU A 27 -0.883 -6.449 5.034 1.00 0.00 C ATOM 373 CG LEU A 27 -2.179 -6.320 4.232 1.00 0.00 C ATOM 374 CD1 LEU A 27 -2.727 -4.905 4.332 1.00 0.00 C ATOM 375 CD2 LEU A 27 -1.947 -6.701 2.776 1.00 0.00 C ATOM 0 H LEU A 27 1.527 -7.704 5.347 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.248 -8.122 6.322 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.943 -5.787 5.898 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.057 -6.094 4.417 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.914 -7.006 4.653 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.649 -4.830 3.756 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.931 -4.667 5.376 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.994 -4.202 3.936 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.880 -6.603 2.221 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.196 -6.041 2.342 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.599 -7.732 2.721 1.00 0.00 H new ATOM 387 N THR A 28 -1.717 -9.709 4.461 1.00 0.00 N ATOM 388 CA THR A 28 -1.928 -10.723 3.435 1.00 0.00 C ATOM 389 C THR A 28 -3.274 -10.563 2.736 1.00 0.00 C ATOM 390 O THR A 28 -4.324 -10.537 3.376 1.00 0.00 O ATOM 391 CB THR A 28 -1.828 -12.119 4.047 1.00 0.00 C ATOM 392 OG1 THR A 28 -0.629 -12.257 4.792 1.00 0.00 O ATOM 393 CG2 THR A 28 -1.856 -13.228 3.018 1.00 0.00 C ATOM 0 H THR A 28 -2.406 -9.713 5.213 1.00 0.00 H new ATOM 0 HA THR A 28 -1.148 -10.591 2.685 1.00 0.00 H new ATOM 0 HB THR A 28 -2.705 -12.215 4.687 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.585 -13.157 5.177 1.00 0.00 H new ATOM 0 HG21 THR A 28 -1.781 -14.192 3.520 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.790 -13.182 2.459 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.017 -13.110 2.333 1.00 0.00 H new ATOM 401 N TRP A 29 -3.223 -10.477 1.411 1.00 0.00 N ATOM 402 CA TRP A 29 -4.410 -10.345 0.595 1.00 0.00 C ATOM 403 C TRP A 29 -4.775 -11.698 -0.005 1.00 0.00 C ATOM 404 O TRP A 29 -3.936 -12.358 -0.620 1.00 0.00 O ATOM 405 CB TRP A 29 -4.160 -9.337 -0.526 1.00 0.00 C ATOM 406 CG TRP A 29 -5.293 -9.251 -1.493 1.00 0.00 C ATOM 407 CD1 TRP A 29 -6.501 -8.679 -1.263 1.00 0.00 C ATOM 408 CD2 TRP A 29 -5.331 -9.761 -2.828 1.00 0.00 C ATOM 409 NE1 TRP A 29 -7.298 -8.789 -2.376 1.00 0.00 N ATOM 410 CE2 TRP A 29 -6.600 -9.452 -3.353 1.00 0.00 C ATOM 411 CE3 TRP A 29 -4.415 -10.444 -3.632 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -6.975 -9.805 -4.647 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -4.788 -10.795 -4.914 1.00 0.00 C ATOM 414 CH2 TRP A 29 -6.058 -10.476 -5.412 1.00 0.00 C ATOM 0 H TRP A 29 -2.353 -10.498 0.878 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.233 -9.992 1.217 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -3.985 -8.353 -0.091 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.252 -9.615 -1.062 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.794 -8.205 -0.338 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -8.251 -8.436 -2.462 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.433 -10.693 -3.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -7.953 -9.559 -5.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.089 -11.325 -5.544 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.319 -10.765 -6.419 1.00 0.00 H new ATOM 425 N ARG A 30 -6.021 -12.110 0.175 1.00 0.00 N ATOM 426 CA ARG A 30 -6.475 -13.390 -0.355 1.00 0.00 C ATOM 427 C ARG A 30 -7.658 -13.203 -1.295 1.00 0.00 C ATOM 428 O ARG A 30 -8.721 -12.740 -0.885 1.00 0.00 O ATOM 429 CB ARG A 30 -6.857 -14.333 0.787 1.00 0.00 C ATOM 430 CG ARG A 30 -7.307 -15.706 0.316 1.00 0.00 C ATOM 431 CD ARG A 30 -7.075 -16.764 1.381 1.00 0.00 C ATOM 432 NE ARG A 30 -7.932 -16.565 2.547 1.00 0.00 N ATOM 433 CZ ARG A 30 -9.216 -16.913 2.593 1.00 0.00 C ATOM 434 NH1 ARG A 30 -9.795 -17.476 1.540 1.00 0.00 N ATOM 435 NH2 ARG A 30 -9.924 -16.696 3.693 1.00 0.00 N ATOM 0 H ARG A 30 -6.733 -11.582 0.680 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.654 -13.831 -0.921 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -6.002 -14.449 1.453 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.657 -13.878 1.371 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.366 -15.674 0.058 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.766 -15.976 -0.591 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -7.262 -17.751 0.958 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -6.030 -16.743 1.691 1.00 0.00 H new ATOM 0 HE ARG A 30 -7.522 -16.134 3.375 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.256 -17.644 0.691 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -10.779 -17.741 1.580 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.485 -16.262 4.505 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.908 -16.963 3.727 1.00 0.00 H new ATOM 449 N SER A 31 -7.467 -13.566 -2.561 1.00 0.00 N ATOM 450 CA SER A 31 -8.522 -13.440 -3.563 1.00 0.00 C ATOM 451 C SER A 31 -9.846 -13.985 -3.032 1.00 0.00 C ATOM 452 O SER A 31 -9.871 -14.726 -2.049 1.00 0.00 O ATOM 453 CB SER A 31 -8.130 -14.175 -4.846 1.00 0.00 C ATOM 454 OG SER A 31 -6.953 -13.628 -5.411 1.00 0.00 O ATOM 0 H SER A 31 -6.592 -13.950 -2.917 1.00 0.00 H new ATOM 0 HA SER A 31 -8.650 -12.381 -3.787 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.975 -15.232 -4.630 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.945 -14.113 -5.567 1.00 0.00 H new ATOM 0 HG SER A 31 -6.227 -13.666 -4.754 1.00 0.00 H new ATOM 460 N THR A 32 -10.942 -13.620 -3.688 1.00 0.00 N ATOM 461 CA THR A 32 -12.258 -14.082 -3.280 1.00 0.00 C ATOM 462 C THR A 32 -12.406 -15.551 -3.616 1.00 0.00 C ATOM 463 O THR A 32 -12.940 -16.340 -2.835 1.00 0.00 O ATOM 464 CB THR A 32 -13.348 -13.268 -3.978 1.00 0.00 C ATOM 465 OG1 THR A 32 -12.781 -12.240 -4.770 1.00 0.00 O ATOM 466 CG2 THR A 32 -14.317 -12.622 -3.015 1.00 0.00 C ATOM 0 H THR A 32 -10.943 -13.007 -4.503 1.00 0.00 H new ATOM 0 HA THR A 32 -12.365 -13.947 -2.204 1.00 0.00 H new ATOM 0 HB THR A 32 -13.892 -13.984 -4.594 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.491 -11.645 -5.090 1.00 0.00 H new ATOM 0 HG21 THR A 32 -15.065 -12.060 -3.574 1.00 0.00 H new ATOM 0 HG22 THR A 32 -14.810 -13.393 -2.423 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.776 -11.947 -2.352 1.00 0.00 H new ATOM 474 N ASP A 33 -11.919 -15.902 -4.792 1.00 0.00 N ATOM 475 CA ASP A 33 -11.973 -17.270 -5.266 1.00 0.00 C ATOM 476 C ASP A 33 -10.829 -18.097 -4.685 1.00 0.00 C ATOM 477 O ASP A 33 -10.897 -19.325 -4.641 1.00 0.00 O ATOM 478 CB ASP A 33 -11.928 -17.308 -6.793 1.00 0.00 C ATOM 479 CG ASP A 33 -12.116 -18.710 -7.342 1.00 0.00 C ATOM 480 OD1 ASP A 33 -13.279 -19.144 -7.477 1.00 0.00 O ATOM 481 OD2 ASP A 33 -11.098 -19.373 -7.638 1.00 0.00 O ATOM 0 H ASP A 33 -11.478 -15.250 -5.441 1.00 0.00 H new ATOM 0 HA ASP A 33 -12.914 -17.705 -4.930 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -12.705 -16.657 -7.193 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.972 -16.912 -7.136 1.00 0.00 H new ATOM 486 N GLY A 34 -9.776 -17.415 -4.244 1.00 0.00 N ATOM 487 CA GLY A 34 -8.631 -18.100 -3.678 1.00 0.00 C ATOM 488 C GLY A 34 -7.638 -18.533 -4.737 1.00 0.00 C ATOM 489 O GLY A 34 -7.008 -19.583 -4.616 1.00 0.00 O ATOM 0 H GLY A 34 -9.697 -16.398 -4.269 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.134 -17.443 -2.964 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.971 -18.974 -3.123 1.00 0.00 H new ATOM 493 N ASP A 35 -7.505 -17.724 -5.784 1.00 0.00 N ATOM 494 CA ASP A 35 -6.587 -18.033 -6.873 1.00 0.00 C ATOM 495 C ASP A 35 -5.322 -17.183 -6.800 1.00 0.00 C ATOM 496 O ASP A 35 -4.299 -17.528 -7.394 1.00 0.00 O ATOM 497 CB ASP A 35 -7.278 -17.821 -8.222 1.00 0.00 C ATOM 498 CG ASP A 35 -6.425 -18.281 -9.389 1.00 0.00 C ATOM 499 OD1 ASP A 35 -5.439 -19.011 -9.153 1.00 0.00 O ATOM 500 OD2 ASP A 35 -6.744 -17.914 -10.540 1.00 0.00 O ATOM 0 H ASP A 35 -8.021 -16.852 -5.900 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.296 -19.079 -6.773 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -8.224 -18.363 -8.231 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.515 -16.764 -8.343 1.00 0.00 H new ATOM 505 N LYS A 36 -5.391 -16.072 -6.073 1.00 0.00 N ATOM 506 CA LYS A 36 -4.242 -15.183 -5.937 1.00 0.00 C ATOM 507 C LYS A 36 -4.055 -14.735 -4.490 1.00 0.00 C ATOM 508 O LYS A 36 -5.026 -14.482 -3.776 1.00 0.00 O ATOM 509 CB LYS A 36 -4.403 -13.960 -6.840 1.00 0.00 C ATOM 510 CG LYS A 36 -3.605 -14.052 -8.130 1.00 0.00 C ATOM 511 CD LYS A 36 -4.513 -14.125 -9.345 1.00 0.00 C ATOM 512 CE LYS A 36 -4.511 -12.819 -10.124 1.00 0.00 C ATOM 513 NZ LYS A 36 -3.600 -12.876 -11.301 1.00 0.00 N ATOM 0 H LYS A 36 -6.225 -15.767 -5.572 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.356 -15.740 -6.241 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.458 -13.833 -7.083 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.093 -13.070 -6.292 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.950 -13.185 -8.216 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.964 -14.933 -8.100 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.188 -14.937 -9.995 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.529 -14.358 -9.027 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.524 -12.595 -10.459 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.205 -12.005 -9.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.627 -11.967 -11.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.629 -13.065 -10.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.907 -13.636 -11.941 1.00 0.00 H new ATOM 527 N VAL A 37 -2.799 -14.633 -4.069 1.00 0.00 N ATOM 528 CA VAL A 37 -2.475 -14.206 -2.713 1.00 0.00 C ATOM 529 C VAL A 37 -1.277 -13.259 -2.711 1.00 0.00 C ATOM 530 O VAL A 37 -0.297 -13.481 -3.423 1.00 0.00 O ATOM 531 CB VAL A 37 -2.169 -15.410 -1.801 1.00 0.00 C ATOM 532 CG1 VAL A 37 -1.898 -14.949 -0.376 1.00 0.00 C ATOM 533 CG2 VAL A 37 -3.315 -16.409 -1.835 1.00 0.00 C ATOM 0 H VAL A 37 -1.986 -14.841 -4.649 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.350 -13.684 -2.326 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.272 -15.905 -2.174 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.684 -15.814 0.252 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.042 -14.275 -0.368 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.774 -14.428 0.011 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.082 -17.253 -1.185 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.229 -15.926 -1.489 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.457 -16.765 -2.855 1.00 0.00 H new ATOM 543 N HIS A 38 -1.362 -12.205 -1.907 1.00 0.00 N ATOM 544 CA HIS A 38 -0.282 -11.226 -1.812 1.00 0.00 C ATOM 545 C HIS A 38 0.018 -10.876 -0.361 1.00 0.00 C ATOM 546 O HIS A 38 -0.879 -10.842 0.479 1.00 0.00 O ATOM 547 CB HIS A 38 -0.632 -9.956 -2.584 1.00 0.00 C ATOM 548 CG HIS A 38 0.553 -9.084 -2.869 1.00 0.00 C ATOM 549 ND1 HIS A 38 0.866 -7.843 -2.429 1.00 0.00 N flip ATOM 550 CD2 HIS A 38 1.587 -9.466 -3.699 1.00 0.00 C flip ATOM 551 CE1 HIS A 38 2.068 -7.501 -2.995 1.00 0.00 C flip ATOM 552 NE2 HIS A 38 2.483 -8.495 -3.756 1.00 0.00 N flip ATOM 0 H HIS A 38 -2.166 -12.005 -1.312 1.00 0.00 H new ATOM 0 HA HIS A 38 0.607 -11.677 -2.253 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.105 -10.232 -3.526 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.365 -9.385 -2.015 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.654 -10.410 -4.220 1.00 0.00 H new ATOM 0 HE1 HIS A 38 2.590 -6.568 -2.842 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.348 -8.512 -4.297 1.00 0.00 H new ATOM 561 N THR A 39 1.287 -10.620 -0.078 1.00 0.00 N ATOM 562 CA THR A 39 1.712 -10.272 1.274 1.00 0.00 C ATOM 563 C THR A 39 2.560 -9.001 1.276 1.00 0.00 C ATOM 564 O THR A 39 3.459 -8.845 0.452 1.00 0.00 O ATOM 565 CB THR A 39 2.506 -11.425 1.891 1.00 0.00 C ATOM 566 OG1 THR A 39 1.760 -12.628 1.844 1.00 0.00 O ATOM 567 CG2 THR A 39 2.892 -11.181 3.335 1.00 0.00 C ATOM 0 H THR A 39 2.041 -10.646 -0.764 1.00 0.00 H new ATOM 0 HA THR A 39 0.818 -10.089 1.870 1.00 0.00 H new ATOM 0 HB THR A 39 3.416 -11.500 1.296 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.285 -13.354 2.241 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.453 -12.037 3.711 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.510 -10.285 3.400 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.992 -11.045 3.934 1.00 0.00 H new ATOM 575 N VAL A 40 2.273 -8.097 2.212 1.00 0.00 N ATOM 576 CA VAL A 40 3.022 -6.848 2.317 1.00 0.00 C ATOM 577 C VAL A 40 3.393 -6.530 3.758 1.00 0.00 C ATOM 578 O VAL A 40 2.587 -6.693 4.673 1.00 0.00 O ATOM 579 CB VAL A 40 2.240 -5.643 1.761 1.00 0.00 C ATOM 580 CG1 VAL A 40 3.038 -4.356 1.962 1.00 0.00 C ATOM 581 CG2 VAL A 40 1.896 -5.848 0.294 1.00 0.00 C ATOM 0 H VAL A 40 1.532 -8.206 2.904 1.00 0.00 H new ATOM 0 HA VAL A 40 3.921 -7.005 1.722 1.00 0.00 H new ATOM 0 HB VAL A 40 1.303 -5.556 2.311 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.474 -3.512 1.565 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.219 -4.203 3.026 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.991 -4.434 1.439 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.344 -4.983 -0.075 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.814 -5.965 -0.282 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.283 -6.743 0.186 1.00 0.00 H new ATOM 591 N VAL A 41 4.607 -6.038 3.938 1.00 0.00 N ATOM 592 CA VAL A 41 5.092 -5.644 5.251 1.00 0.00 C ATOM 593 C VAL A 41 4.724 -4.184 5.514 1.00 0.00 C ATOM 594 O VAL A 41 5.159 -3.289 4.789 1.00 0.00 O ATOM 595 CB VAL A 41 6.623 -5.829 5.346 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.294 -5.311 4.084 1.00 0.00 C ATOM 597 CG2 VAL A 41 7.193 -5.160 6.593 1.00 0.00 C ATOM 0 H VAL A 41 5.281 -5.901 3.184 1.00 0.00 H new ATOM 0 HA VAL A 41 4.624 -6.279 6.003 1.00 0.00 H new ATOM 0 HB VAL A 41 6.832 -6.895 5.434 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.373 -5.447 4.163 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.921 -5.863 3.221 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.070 -4.251 3.962 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.272 -5.311 6.626 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.977 -4.092 6.564 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.738 -5.598 7.481 1.00 0.00 H new ATOM 607 N LEU A 42 3.909 -3.944 6.536 1.00 0.00 N ATOM 608 CA LEU A 42 3.477 -2.595 6.864 1.00 0.00 C ATOM 609 C LEU A 42 4.595 -1.783 7.517 1.00 0.00 C ATOM 610 O LEU A 42 4.623 -0.556 7.414 1.00 0.00 O ATOM 611 CB LEU A 42 2.265 -2.648 7.794 1.00 0.00 C ATOM 612 CG LEU A 42 1.282 -3.797 7.538 1.00 0.00 C ATOM 613 CD1 LEU A 42 1.162 -4.106 6.051 1.00 0.00 C ATOM 614 CD2 LEU A 42 1.688 -5.040 8.320 1.00 0.00 C ATOM 0 H LEU A 42 3.536 -4.668 7.150 1.00 0.00 H new ATOM 0 HA LEU A 42 3.206 -2.099 5.932 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.621 -2.721 8.822 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.724 -1.705 7.710 1.00 0.00 H new ATOM 0 HG LEU A 42 0.300 -3.478 7.888 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.458 -4.925 5.905 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.805 -3.222 5.523 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.138 -4.393 5.659 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.977 -5.842 8.123 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.685 -5.355 8.011 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.694 -4.813 9.386 1.00 0.00 H new ATOM 626 N SER A 43 5.501 -2.472 8.202 1.00 0.00 N ATOM 627 CA SER A 43 6.609 -1.813 8.888 1.00 0.00 C ATOM 628 C SER A 43 7.439 -0.947 7.942 1.00 0.00 C ATOM 629 O SER A 43 8.147 -0.040 8.381 1.00 0.00 O ATOM 630 CB SER A 43 7.506 -2.854 9.557 1.00 0.00 C ATOM 631 OG SER A 43 8.434 -2.239 10.436 1.00 0.00 O ATOM 0 H SER A 43 5.491 -3.487 8.298 1.00 0.00 H new ATOM 0 HA SER A 43 6.178 -1.157 9.644 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.893 -3.565 10.110 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.042 -3.420 8.795 1.00 0.00 H new ATOM 0 HG SER A 43 8.015 -2.104 11.312 1.00 0.00 H new ATOM 637 N THR A 44 7.360 -1.234 6.650 1.00 0.00 N ATOM 638 CA THR A 44 8.120 -0.479 5.656 1.00 0.00 C ATOM 639 C THR A 44 7.273 0.620 5.025 1.00 0.00 C ATOM 640 O THR A 44 7.801 1.590 4.482 1.00 0.00 O ATOM 641 CB THR A 44 8.666 -1.410 4.565 1.00 0.00 C ATOM 642 OG1 THR A 44 7.878 -1.335 3.389 1.00 0.00 O ATOM 643 CG2 THR A 44 8.716 -2.862 4.984 1.00 0.00 C ATOM 0 H THR A 44 6.781 -1.980 6.264 1.00 0.00 H new ATOM 0 HA THR A 44 8.958 -0.011 6.173 1.00 0.00 H new ATOM 0 HB THR A 44 9.683 -1.062 4.382 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.248 -1.936 2.709 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.112 -3.463 4.166 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.361 -2.967 5.856 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.711 -3.204 5.233 1.00 0.00 H new ATOM 651 N ILE A 45 5.957 0.463 5.092 1.00 0.00 N ATOM 652 CA ILE A 45 5.043 1.444 4.520 1.00 0.00 C ATOM 653 C ILE A 45 5.347 2.844 5.040 1.00 0.00 C ATOM 654 O ILE A 45 4.870 3.244 6.103 1.00 0.00 O ATOM 655 CB ILE A 45 3.574 1.085 4.817 1.00 0.00 C ATOM 656 CG1 ILE A 45 3.258 -0.306 4.270 1.00 0.00 C ATOM 657 CG2 ILE A 45 2.634 2.121 4.217 1.00 0.00 C ATOM 658 CD1 ILE A 45 3.379 -0.405 2.764 1.00 0.00 C ATOM 0 H ILE A 45 5.499 -0.333 5.536 1.00 0.00 H new ATOM 0 HA ILE A 45 5.191 1.429 3.440 1.00 0.00 H new ATOM 0 HB ILE A 45 3.427 1.081 5.897 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.932 -1.030 4.729 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.245 -0.582 4.564 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.602 1.848 4.439 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.850 3.100 4.645 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.775 2.158 3.137 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.141 -1.420 2.446 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.686 0.294 2.297 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.398 -0.161 2.464 1.00 0.00 H new ATOM 670 N ASP A 46 6.151 3.580 4.281 1.00 0.00 N ATOM 671 CA ASP A 46 6.534 4.934 4.653 1.00 0.00 C ATOM 672 C ASP A 46 5.318 5.848 4.754 1.00 0.00 C ATOM 673 O ASP A 46 5.323 6.815 5.515 1.00 0.00 O ATOM 674 CB ASP A 46 7.527 5.501 3.637 1.00 0.00 C ATOM 675 CG ASP A 46 8.172 6.789 4.113 1.00 0.00 C ATOM 676 OD1 ASP A 46 8.071 7.093 5.319 1.00 0.00 O ATOM 677 OD2 ASP A 46 8.778 7.493 3.278 1.00 0.00 O ATOM 0 H ASP A 46 6.551 3.258 3.400 1.00 0.00 H new ATOM 0 HA ASP A 46 7.007 4.888 5.634 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.303 4.761 3.440 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.013 5.683 2.693 1.00 0.00 H new ATOM 682 N LYS A 47 4.278 5.547 3.980 1.00 0.00 N ATOM 683 CA LYS A 47 3.067 6.363 3.997 1.00 0.00 C ATOM 684 C LYS A 47 1.840 5.554 3.597 1.00 0.00 C ATOM 685 O LYS A 47 1.950 4.481 3.004 1.00 0.00 O ATOM 686 CB LYS A 47 3.216 7.567 3.060 1.00 0.00 C ATOM 687 CG LYS A 47 4.595 8.207 3.093 1.00 0.00 C ATOM 688 CD LYS A 47 4.661 9.433 2.196 1.00 0.00 C ATOM 689 CE LYS A 47 6.095 9.892 1.988 1.00 0.00 C ATOM 690 NZ LYS A 47 6.459 11.010 2.901 1.00 0.00 N ATOM 0 H LYS A 47 4.249 4.753 3.340 1.00 0.00 H new ATOM 0 HA LYS A 47 2.927 6.714 5.019 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.998 7.250 2.040 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.472 8.317 3.327 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.842 8.490 4.116 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.342 7.481 2.774 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.207 9.205 1.232 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.079 10.241 2.639 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.772 9.054 2.153 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.228 10.210 0.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.444 11.293 2.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.830 11.820 2.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.357 10.699 3.888 1.00 0.00 H new ATOM 704 N LEU A 48 0.670 6.093 3.917 1.00 0.00 N ATOM 705 CA LEU A 48 -0.594 5.450 3.590 1.00 0.00 C ATOM 706 C LEU A 48 -1.470 6.389 2.771 1.00 0.00 C ATOM 707 O LEU A 48 -1.756 7.510 3.192 1.00 0.00 O ATOM 708 CB LEU A 48 -1.332 5.035 4.865 1.00 0.00 C ATOM 709 CG LEU A 48 -0.815 3.761 5.528 1.00 0.00 C ATOM 710 CD1 LEU A 48 -1.663 3.411 6.742 1.00 0.00 C ATOM 711 CD2 LEU A 48 -0.804 2.611 4.534 1.00 0.00 C ATOM 0 H LEU A 48 0.572 6.982 4.407 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.380 4.558 3.001 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.269 5.851 5.584 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.387 4.900 4.628 1.00 0.00 H new ATOM 0 HG LEU A 48 0.208 3.936 5.862 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.281 2.500 7.203 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.621 4.227 7.463 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.696 3.254 6.431 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.433 1.711 5.023 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.816 2.435 4.170 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.155 2.862 3.695 1.00 0.00 H new ATOM 723 N GLN A 49 -1.892 5.927 1.602 1.00 0.00 N ATOM 724 CA GLN A 49 -2.733 6.729 0.726 1.00 0.00 C ATOM 725 C GLN A 49 -4.138 6.146 0.650 1.00 0.00 C ATOM 726 O GLN A 49 -4.312 4.948 0.421 1.00 0.00 O ATOM 727 CB GLN A 49 -2.122 6.811 -0.672 1.00 0.00 C ATOM 728 CG GLN A 49 -2.887 7.721 -1.619 1.00 0.00 C ATOM 729 CD GLN A 49 -2.225 7.837 -2.978 1.00 0.00 C ATOM 730 OE1 GLN A 49 -1.580 6.902 -3.450 1.00 0.00 O ATOM 731 NE2 GLN A 49 -2.379 8.994 -3.613 1.00 0.00 N ATOM 0 H GLN A 49 -1.665 5.001 1.239 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.796 7.735 1.141 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.095 7.167 -0.590 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.079 5.809 -1.100 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.900 7.340 -1.744 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.972 8.713 -1.175 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.923 9.743 -3.184 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.954 9.133 -4.530 1.00 0.00 H new ATOM 740 N ALA A 50 -5.137 6.997 0.847 1.00 0.00 N ATOM 741 CA ALA A 50 -6.526 6.562 0.804 1.00 0.00 C ATOM 742 C ALA A 50 -7.426 7.648 0.231 1.00 0.00 C ATOM 743 O ALA A 50 -7.269 8.828 0.546 1.00 0.00 O ATOM 744 CB ALA A 50 -6.994 6.166 2.196 1.00 0.00 C ATOM 0 H ALA A 50 -5.011 7.991 1.038 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.590 5.694 0.148 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.034 5.842 2.152 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.376 5.350 2.569 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.908 7.022 2.866 1.00 0.00 H new ATOM 750 N THR A 51 -8.371 7.242 -0.607 1.00 0.00 N ATOM 751 CA THR A 51 -9.301 8.183 -1.221 1.00 0.00 C ATOM 752 C THR A 51 -10.359 8.627 -0.210 1.00 0.00 C ATOM 753 O THR A 51 -11.078 7.799 0.349 1.00 0.00 O ATOM 754 CB THR A 51 -9.975 7.547 -2.439 1.00 0.00 C ATOM 755 OG1 THR A 51 -10.792 6.458 -2.047 1.00 0.00 O ATOM 756 CG2 THR A 51 -8.989 7.032 -3.467 1.00 0.00 C ATOM 0 H THR A 51 -8.514 6.269 -0.877 1.00 0.00 H new ATOM 0 HA THR A 51 -8.739 9.058 -1.546 1.00 0.00 H new ATOM 0 HB THR A 51 -10.566 8.343 -2.891 1.00 0.00 H new ATOM 0 HG1 THR A 51 -11.127 6.611 -1.139 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.532 6.594 -4.304 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.373 7.857 -3.826 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.351 6.274 -3.012 1.00 0.00 H new ATOM 764 N PRO A 52 -10.468 9.946 0.046 1.00 0.00 N ATOM 765 CA PRO A 52 -11.443 10.488 1.002 1.00 0.00 C ATOM 766 C PRO A 52 -12.885 10.212 0.585 1.00 0.00 C ATOM 767 O PRO A 52 -13.162 9.930 -0.579 1.00 0.00 O ATOM 768 CB PRO A 52 -11.163 11.995 0.997 1.00 0.00 C ATOM 769 CG PRO A 52 -10.446 12.252 -0.285 1.00 0.00 C ATOM 770 CD PRO A 52 -9.653 11.009 -0.568 1.00 0.00 C ATOM 0 HA PRO A 52 -11.339 10.029 1.985 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.088 12.568 1.053 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.555 12.286 1.854 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.149 12.459 -1.092 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.794 13.121 -0.200 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.522 10.849 -1.638 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -8.657 11.058 -0.129 1.00 0.00 H new ATOM 778 N ALA A 53 -13.798 10.298 1.550 1.00 0.00 N ATOM 779 CA ALA A 53 -15.212 10.060 1.289 1.00 0.00 C ATOM 780 C ALA A 53 -15.746 11.023 0.234 1.00 0.00 C ATOM 781 O ALA A 53 -16.486 10.624 -0.666 1.00 0.00 O ATOM 782 CB ALA A 53 -16.014 10.184 2.574 1.00 0.00 C ATOM 0 H ALA A 53 -13.582 10.531 2.519 1.00 0.00 H new ATOM 0 HA ALA A 53 -15.319 9.046 0.904 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -17.068 10.004 2.364 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -15.658 9.451 3.297 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -15.892 11.187 2.984 1.00 0.00 H new ATOM 788 N SER A 54 -15.364 12.290 0.345 1.00 0.00 N ATOM 789 CA SER A 54 -15.803 13.306 -0.604 1.00 0.00 C ATOM 790 C SER A 54 -15.335 12.963 -2.012 1.00 0.00 C ATOM 791 O SER A 54 -15.965 13.341 -3.001 1.00 0.00 O ATOM 792 CB SER A 54 -15.277 14.683 -0.197 1.00 0.00 C ATOM 793 OG SER A 54 -15.663 15.006 1.128 1.00 0.00 O ATOM 0 H SER A 54 -14.751 12.638 1.083 1.00 0.00 H new ATOM 0 HA SER A 54 -16.893 13.331 -0.595 1.00 0.00 H new ATOM 0 HB2 SER A 54 -14.190 14.698 -0.276 1.00 0.00 H new ATOM 0 HB3 SER A 54 -15.657 15.439 -0.884 1.00 0.00 H new ATOM 0 HG SER A 54 -15.313 15.890 1.364 1.00 0.00 H new ATOM 799 N SER A 55 -14.226 12.240 -2.091 1.00 0.00 N ATOM 800 CA SER A 55 -13.661 11.832 -3.364 1.00 0.00 C ATOM 801 C SER A 55 -14.402 10.630 -3.928 1.00 0.00 C ATOM 802 O SER A 55 -14.469 9.576 -3.296 1.00 0.00 O ATOM 803 CB SER A 55 -12.176 11.499 -3.205 1.00 0.00 C ATOM 804 OG SER A 55 -11.658 10.900 -4.380 1.00 0.00 O ATOM 0 H SER A 55 -13.698 11.923 -1.278 1.00 0.00 H new ATOM 0 HA SER A 55 -13.768 12.663 -4.061 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.618 12.408 -2.981 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.040 10.825 -2.359 1.00 0.00 H new ATOM 0 HG SER A 55 -10.682 10.988 -4.389 1.00 0.00 H new ATOM 810 N GLU A 56 -14.943 10.790 -5.132 1.00 0.00 N ATOM 811 CA GLU A 56 -15.663 9.709 -5.790 1.00 0.00 C ATOM 812 C GLU A 56 -14.769 8.478 -5.917 1.00 0.00 C ATOM 813 O GLU A 56 -15.253 7.364 -6.117 1.00 0.00 O ATOM 814 CB GLU A 56 -16.143 10.152 -7.171 1.00 0.00 C ATOM 815 CG GLU A 56 -17.129 11.309 -7.131 1.00 0.00 C ATOM 816 CD GLU A 56 -17.634 11.695 -8.508 1.00 0.00 C ATOM 817 OE1 GLU A 56 -17.047 11.232 -9.508 1.00 0.00 O ATOM 818 OE2 GLU A 56 -18.619 12.460 -8.585 1.00 0.00 O ATOM 0 H GLU A 56 -14.896 11.656 -5.669 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.531 9.453 -5.183 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.280 10.442 -7.771 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -16.610 9.305 -7.673 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -17.976 11.038 -6.501 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -16.651 12.173 -6.668 1.00 0.00 H new ATOM 825 N LYS A 57 -13.461 8.693 -5.796 1.00 0.00 N ATOM 826 CA LYS A 57 -12.496 7.606 -5.892 1.00 0.00 C ATOM 827 C LYS A 57 -12.668 6.627 -4.733 1.00 0.00 C ATOM 828 O LYS A 57 -13.118 7.003 -3.651 1.00 0.00 O ATOM 829 CB LYS A 57 -11.071 8.161 -5.900 1.00 0.00 C ATOM 830 CG LYS A 57 -10.685 8.826 -7.212 1.00 0.00 C ATOM 831 CD LYS A 57 -11.588 10.006 -7.527 1.00 0.00 C ATOM 832 CE LYS A 57 -11.075 10.796 -8.721 1.00 0.00 C ATOM 833 NZ LYS A 57 -12.086 11.771 -9.217 1.00 0.00 N ATOM 0 H LYS A 57 -13.047 9.611 -5.631 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.675 7.073 -6.826 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.967 8.884 -5.091 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.373 7.350 -5.694 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -9.650 9.163 -7.159 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.742 8.097 -8.021 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.597 9.649 -7.732 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.652 10.659 -6.657 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.165 11.327 -8.441 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.809 10.109 -9.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.698 12.289 -10.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.945 11.262 -9.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.321 12.443 -8.459 1.00 0.00 H new ATOM 847 N MET A 58 -12.311 5.369 -4.970 1.00 0.00 N ATOM 848 CA MET A 58 -12.430 4.335 -3.949 1.00 0.00 C ATOM 849 C MET A 58 -11.263 3.354 -4.026 1.00 0.00 C ATOM 850 O MET A 58 -11.397 2.264 -4.581 1.00 0.00 O ATOM 851 CB MET A 58 -13.753 3.586 -4.114 1.00 0.00 C ATOM 852 CG MET A 58 -14.975 4.468 -3.914 1.00 0.00 C ATOM 853 SD MET A 58 -16.498 3.519 -3.748 1.00 0.00 S ATOM 854 CE MET A 58 -16.057 2.414 -2.410 1.00 0.00 C ATOM 0 H MET A 58 -11.937 5.041 -5.860 1.00 0.00 H new ATOM 0 HA MET A 58 -12.408 4.817 -2.972 1.00 0.00 H new ATOM 0 HB2 MET A 58 -13.791 3.146 -5.110 1.00 0.00 H new ATOM 0 HB3 MET A 58 -13.787 2.763 -3.400 1.00 0.00 H new ATOM 0 HG2 MET A 58 -14.834 5.080 -3.023 1.00 0.00 H new ATOM 0 HG3 MET A 58 -15.067 5.151 -4.759 1.00 0.00 H new ATOM 0 HE1 MET A 58 -16.868 2.382 -1.682 1.00 0.00 H new ATOM 0 HE2 MET A 58 -15.886 1.413 -2.806 1.00 0.00 H new ATOM 0 HE3 MET A 58 -15.149 2.773 -1.926 1.00 0.00 H new ATOM 864 N MET A 59 -10.119 3.748 -3.471 1.00 0.00 N ATOM 865 CA MET A 59 -8.932 2.898 -3.486 1.00 0.00 C ATOM 866 C MET A 59 -7.981 3.243 -2.345 1.00 0.00 C ATOM 867 O MET A 59 -8.137 4.265 -1.676 1.00 0.00 O ATOM 868 CB MET A 59 -8.197 3.035 -4.821 1.00 0.00 C ATOM 869 CG MET A 59 -8.845 2.266 -5.962 1.00 0.00 C ATOM 870 SD MET A 59 -9.717 3.340 -7.119 1.00 0.00 S ATOM 871 CE MET A 59 -8.444 4.547 -7.485 1.00 0.00 C ATOM 0 H MET A 59 -9.989 4.647 -3.007 1.00 0.00 H new ATOM 0 HA MET A 59 -9.266 1.869 -3.355 1.00 0.00 H new ATOM 0 HB2 MET A 59 -8.146 4.090 -5.090 1.00 0.00 H new ATOM 0 HB3 MET A 59 -7.171 2.687 -4.697 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.079 1.707 -6.499 1.00 0.00 H new ATOM 0 HG3 MET A 59 -9.544 1.537 -5.552 1.00 0.00 H new ATOM 0 HE1 MET A 59 -8.737 5.518 -7.085 1.00 0.00 H new ATOM 0 HE2 MET A 59 -7.505 4.235 -7.029 1.00 0.00 H new ATOM 0 HE3 MET A 59 -8.315 4.624 -8.565 1.00 0.00 H new ATOM 881 N LEU A 60 -6.989 2.382 -2.139 1.00 0.00 N ATOM 882 CA LEU A 60 -5.995 2.582 -1.091 1.00 0.00 C ATOM 883 C LEU A 60 -4.597 2.287 -1.629 1.00 0.00 C ATOM 884 O LEU A 60 -4.355 1.222 -2.195 1.00 0.00 O ATOM 885 CB LEU A 60 -6.294 1.677 0.106 1.00 0.00 C ATOM 886 CG LEU A 60 -5.805 2.204 1.458 1.00 0.00 C ATOM 887 CD1 LEU A 60 -6.972 2.706 2.291 1.00 0.00 C ATOM 888 CD2 LEU A 60 -5.040 1.121 2.206 1.00 0.00 C ATOM 0 H LEU A 60 -6.852 1.534 -2.689 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.039 3.621 -0.765 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.371 1.520 0.163 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.839 0.703 -0.073 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.130 3.041 1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.604 3.076 3.248 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.478 3.513 1.760 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.673 1.890 2.464 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.700 1.512 3.165 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.693 0.265 2.375 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.179 0.810 1.615 1.00 0.00 H new ATOM 900 N ARG A 61 -3.681 3.238 -1.462 1.00 0.00 N ATOM 901 CA ARG A 61 -2.316 3.068 -1.950 1.00 0.00 C ATOM 902 C ARG A 61 -1.299 3.123 -0.811 1.00 0.00 C ATOM 903 O ARG A 61 -1.310 4.044 0.001 1.00 0.00 O ATOM 904 CB ARG A 61 -1.989 4.143 -2.989 1.00 0.00 C ATOM 905 CG ARG A 61 -2.220 3.695 -4.422 1.00 0.00 C ATOM 906 CD ARG A 61 -2.061 4.849 -5.399 1.00 0.00 C ATOM 907 NE ARG A 61 -0.661 5.236 -5.562 1.00 0.00 N ATOM 908 CZ ARG A 61 -0.268 6.425 -6.016 1.00 0.00 C ATOM 909 NH1 ARG A 61 -1.163 7.344 -6.355 1.00 0.00 N ATOM 910 NH2 ARG A 61 1.025 6.694 -6.133 1.00 0.00 N ATOM 0 H ARG A 61 -3.858 4.128 -0.996 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.252 2.083 -2.412 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.598 5.025 -2.791 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.947 4.442 -2.874 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.515 2.903 -4.675 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.221 3.273 -4.516 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.474 4.565 -6.367 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.636 5.705 -5.046 1.00 0.00 H new ATOM 0 HE ARG A 61 0.057 4.556 -5.314 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.159 7.142 -6.269 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.855 8.252 -6.702 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.718 5.991 -5.875 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.327 7.604 -6.481 1.00 0.00 H new ATOM 924 N LEU A 62 -0.415 2.128 -0.770 1.00 0.00 N ATOM 925 CA LEU A 62 0.619 2.058 0.259 1.00 0.00 C ATOM 926 C LEU A 62 1.981 2.417 -0.330 1.00 0.00 C ATOM 927 O LEU A 62 2.291 2.048 -1.462 1.00 0.00 O ATOM 928 CB LEU A 62 0.675 0.650 0.862 1.00 0.00 C ATOM 929 CG LEU A 62 -0.513 0.241 1.746 1.00 0.00 C ATOM 930 CD1 LEU A 62 -1.769 1.025 1.393 1.00 0.00 C ATOM 931 CD2 LEU A 62 -0.769 -1.253 1.617 1.00 0.00 C ATOM 0 H LEU A 62 -0.395 1.358 -1.439 1.00 0.00 H new ATOM 0 HA LEU A 62 0.371 2.773 1.043 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.758 -0.068 0.047 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.587 0.567 1.454 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.258 0.474 2.780 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.589 0.709 2.039 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.585 2.090 1.535 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.034 0.838 0.352 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.613 -1.533 2.247 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.996 -1.495 0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.118 -1.803 1.933 1.00 0.00 H new ATOM 943 N ILE A 63 2.794 3.135 0.440 1.00 0.00 N ATOM 944 CA ILE A 63 4.121 3.533 -0.024 1.00 0.00 C ATOM 945 C ILE A 63 5.212 2.704 0.641 1.00 0.00 C ATOM 946 O ILE A 63 5.440 2.816 1.846 1.00 0.00 O ATOM 947 CB ILE A 63 4.411 5.022 0.248 1.00 0.00 C ATOM 948 CG1 ILE A 63 3.120 5.840 0.294 1.00 0.00 C ATOM 949 CG2 ILE A 63 5.352 5.579 -0.806 1.00 0.00 C ATOM 950 CD1 ILE A 63 2.199 5.607 -0.879 1.00 0.00 C ATOM 0 H ILE A 63 2.560 3.451 1.381 1.00 0.00 H new ATOM 0 HA ILE A 63 4.125 3.360 -1.100 1.00 0.00 H new ATOM 0 HB ILE A 63 4.891 5.097 1.224 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.586 5.603 1.214 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.375 6.899 0.337 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.547 6.631 -0.600 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.291 5.025 -0.785 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.895 5.481 -1.791 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.307 6.224 -0.770 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.713 5.872 -1.803 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.911 4.556 -0.912 1.00 0.00 H new ATOM 962 N GLY A 64 5.893 1.881 -0.149 1.00 0.00 N ATOM 963 CA GLY A 64 6.960 1.057 0.387 1.00 0.00 C ATOM 964 C GLY A 64 8.277 1.802 0.471 1.00 0.00 C ATOM 965 O GLY A 64 8.752 2.350 -0.524 1.00 0.00 O ATOM 0 H GLY A 64 5.726 1.770 -1.149 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.680 0.706 1.380 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.084 0.174 -0.240 1.00 0.00 H new ATOM 969 N LYS A 65 8.870 1.825 1.662 1.00 0.00 N ATOM 970 CA LYS A 65 10.141 2.511 1.875 1.00 0.00 C ATOM 971 C LYS A 65 11.167 2.112 0.818 1.00 0.00 C ATOM 972 O LYS A 65 11.096 1.021 0.249 1.00 0.00 O ATOM 973 CB LYS A 65 10.685 2.200 3.272 1.00 0.00 C ATOM 974 CG LYS A 65 10.309 3.238 4.317 1.00 0.00 C ATOM 975 CD LYS A 65 10.883 2.890 5.680 1.00 0.00 C ATOM 976 CE LYS A 65 10.444 3.884 6.741 1.00 0.00 C ATOM 977 NZ LYS A 65 11.277 3.789 7.971 1.00 0.00 N ATOM 0 H LYS A 65 8.490 1.376 2.495 1.00 0.00 H new ATOM 0 HA LYS A 65 9.961 3.583 1.790 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.312 1.226 3.589 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.771 2.125 3.221 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.674 4.217 4.007 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.224 3.310 4.386 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.563 1.888 5.965 1.00 0.00 H new ATOM 0 HD3 LYS A 65 11.971 2.874 5.624 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.505 4.895 6.338 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.399 3.705 6.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.945 4.484 8.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.199 2.832 8.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.270 3.985 7.733 1.00 0.00 H new ATOM 991 N VAL A 66 12.117 3.003 0.556 1.00 0.00 N ATOM 992 CA VAL A 66 13.155 2.746 -0.434 1.00 0.00 C ATOM 993 C VAL A 66 14.541 2.730 0.214 1.00 0.00 C ATOM 994 O VAL A 66 14.666 2.588 1.431 1.00 0.00 O ATOM 995 CB VAL A 66 13.110 3.796 -1.573 1.00 0.00 C ATOM 996 CG1 VAL A 66 13.901 5.049 -1.213 1.00 0.00 C ATOM 997 CG2 VAL A 66 13.603 3.193 -2.883 1.00 0.00 C ATOM 0 H VAL A 66 12.189 3.910 1.016 1.00 0.00 H new ATOM 0 HA VAL A 66 12.963 1.763 -0.863 1.00 0.00 H new ATOM 0 HB VAL A 66 12.071 4.096 -1.706 1.00 0.00 H new ATOM 0 HG11 VAL A 66 13.847 5.762 -2.035 1.00 0.00 H new ATOM 0 HG12 VAL A 66 13.480 5.499 -0.314 1.00 0.00 H new ATOM 0 HG13 VAL A 66 14.942 4.782 -1.032 1.00 0.00 H new ATOM 0 HG21 VAL A 66 13.563 3.947 -3.669 1.00 0.00 H new ATOM 0 HG22 VAL A 66 14.630 2.850 -2.762 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.969 2.350 -3.157 1.00 0.00 H new ATOM 1007 N ASP A 67 15.570 2.878 -0.607 1.00 0.00 N ATOM 1008 CA ASP A 67 16.947 2.884 -0.127 1.00 0.00 C ATOM 1009 C ASP A 67 17.891 3.376 -1.219 1.00 0.00 C ATOM 1010 O ASP A 67 18.769 2.643 -1.675 1.00 0.00 O ATOM 1011 CB ASP A 67 17.357 1.483 0.330 1.00 0.00 C ATOM 1012 CG ASP A 67 17.013 1.226 1.785 1.00 0.00 C ATOM 1013 OD1 ASP A 67 16.863 2.207 2.542 1.00 0.00 O ATOM 1014 OD2 ASP A 67 16.892 0.042 2.166 1.00 0.00 O ATOM 0 H ASP A 67 15.478 2.996 -1.616 1.00 0.00 H new ATOM 0 HA ASP A 67 17.012 3.564 0.722 1.00 0.00 H new ATOM 0 HB2 ASP A 67 16.861 0.740 -0.295 1.00 0.00 H new ATOM 0 HB3 ASP A 67 18.430 1.356 0.185 1.00 0.00 H new ATOM 1019 N GLU A 68 17.696 4.623 -1.641 1.00 0.00 N ATOM 1020 CA GLU A 68 18.524 5.218 -2.689 1.00 0.00 C ATOM 1021 C GLU A 68 20.006 5.024 -2.403 1.00 0.00 C ATOM 1022 O GLU A 68 20.825 4.959 -3.319 1.00 0.00 O ATOM 1023 CB GLU A 68 18.218 6.710 -2.833 1.00 0.00 C ATOM 1024 CG GLU A 68 17.925 7.410 -1.515 1.00 0.00 C ATOM 1025 CD GLU A 68 17.989 8.920 -1.629 1.00 0.00 C ATOM 1026 OE1 GLU A 68 19.104 9.456 -1.811 1.00 0.00 O ATOM 1027 OE2 GLU A 68 16.925 9.568 -1.537 1.00 0.00 O ATOM 0 H GLU A 68 16.973 5.241 -1.274 1.00 0.00 H new ATOM 0 HA GLU A 68 18.285 4.710 -3.623 1.00 0.00 H new ATOM 0 HB2 GLU A 68 19.065 7.200 -3.313 1.00 0.00 H new ATOM 0 HB3 GLU A 68 17.362 6.833 -3.496 1.00 0.00 H new ATOM 0 HG2 GLU A 68 16.935 7.118 -1.165 1.00 0.00 H new ATOM 0 HG3 GLU A 68 18.640 7.076 -0.764 1.00 0.00 H new ATOM 1034 N SER A 69 20.339 4.927 -1.127 1.00 0.00 N ATOM 1035 CA SER A 69 21.722 4.734 -0.704 1.00 0.00 C ATOM 1036 C SER A 69 22.342 3.514 -1.387 1.00 0.00 C ATOM 1037 O SER A 69 23.564 3.379 -1.440 1.00 0.00 O ATOM 1038 CB SER A 69 21.796 4.576 0.814 1.00 0.00 C ATOM 1039 OG SER A 69 21.216 5.689 1.473 1.00 0.00 O ATOM 0 H SER A 69 19.669 4.979 -0.360 1.00 0.00 H new ATOM 0 HA SER A 69 22.289 5.617 -0.999 1.00 0.00 H new ATOM 0 HB2 SER A 69 21.280 3.663 1.113 1.00 0.00 H new ATOM 0 HB3 SER A 69 22.836 4.470 1.121 1.00 0.00 H new ATOM 0 HG SER A 69 21.275 5.562 2.443 1.00 0.00 H new ATOM 1045 N LYS A 70 21.494 2.631 -1.907 1.00 0.00 N ATOM 1046 CA LYS A 70 21.968 1.428 -2.583 1.00 0.00 C ATOM 1047 C LYS A 70 22.790 1.783 -3.817 1.00 0.00 C ATOM 1048 O LYS A 70 23.780 1.121 -4.128 1.00 0.00 O ATOM 1049 CB LYS A 70 20.787 0.539 -2.979 1.00 0.00 C ATOM 1050 CG LYS A 70 20.050 -0.057 -1.791 1.00 0.00 C ATOM 1051 CD LYS A 70 20.913 -1.062 -1.047 1.00 0.00 C ATOM 1052 CE LYS A 70 20.127 -1.774 0.043 1.00 0.00 C ATOM 1053 NZ LYS A 70 18.801 -2.243 -0.445 1.00 0.00 N ATOM 0 H LYS A 70 20.479 2.725 -1.873 1.00 0.00 H new ATOM 0 HA LYS A 70 22.607 0.882 -1.889 1.00 0.00 H new ATOM 0 HB2 LYS A 70 20.086 1.124 -3.575 1.00 0.00 H new ATOM 0 HB3 LYS A 70 21.148 -0.269 -3.615 1.00 0.00 H new ATOM 0 HG2 LYS A 70 19.750 0.740 -1.111 1.00 0.00 H new ATOM 0 HG3 LYS A 70 19.137 -0.544 -2.135 1.00 0.00 H new ATOM 0 HD2 LYS A 70 21.307 -1.795 -1.750 1.00 0.00 H new ATOM 0 HD3 LYS A 70 21.769 -0.552 -0.605 1.00 0.00 H new ATOM 0 HE2 LYS A 70 20.702 -2.625 0.408 1.00 0.00 H new ATOM 0 HE3 LYS A 70 19.985 -1.100 0.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 18.430 -2.968 0.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 18.140 -1.440 -0.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 18.905 -2.648 -1.397 1.00 0.00 H new ATOM 1067 N LYS A 71 22.372 2.833 -4.519 1.00 0.00 N ATOM 1068 CA LYS A 71 23.072 3.276 -5.720 1.00 0.00 C ATOM 1069 C LYS A 71 23.067 2.185 -6.785 1.00 0.00 C ATOM 1070 O LYS A 71 23.937 1.314 -6.799 1.00 0.00 O ATOM 1071 CB LYS A 71 24.509 3.673 -5.383 1.00 0.00 C ATOM 1072 CG LYS A 71 24.643 5.103 -4.885 1.00 0.00 C ATOM 1073 CD LYS A 71 24.516 5.181 -3.373 1.00 0.00 C ATOM 1074 CE LYS A 71 24.811 6.581 -2.860 1.00 0.00 C ATOM 1075 NZ LYS A 71 25.322 6.564 -1.462 1.00 0.00 N ATOM 0 H LYS A 71 21.554 3.392 -4.277 1.00 0.00 H new ATOM 0 HA LYS A 71 22.548 4.146 -6.115 1.00 0.00 H new ATOM 0 HB2 LYS A 71 24.896 2.994 -4.623 1.00 0.00 H new ATOM 0 HB3 LYS A 71 25.130 3.546 -6.270 1.00 0.00 H new ATOM 0 HG2 LYS A 71 25.608 5.507 -5.191 1.00 0.00 H new ATOM 0 HG3 LYS A 71 23.876 5.724 -5.348 1.00 0.00 H new ATOM 0 HD2 LYS A 71 23.509 4.888 -3.076 1.00 0.00 H new ATOM 0 HD3 LYS A 71 25.203 4.471 -2.912 1.00 0.00 H new ATOM 0 HE2 LYS A 71 25.545 7.058 -3.509 1.00 0.00 H new ATOM 0 HE3 LYS A 71 23.904 7.184 -2.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 25.511 7.538 -1.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 24.611 6.132 -0.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 26.201 6.010 -1.421 1.00 0.00 H new ATOM 1089 N ARG A 72 22.082 2.240 -7.674 1.00 0.00 N ATOM 1090 CA ARG A 72 21.963 1.258 -8.746 1.00 0.00 C ATOM 1091 C ARG A 72 22.400 1.854 -10.079 1.00 0.00 C ATOM 1092 O ARG A 72 22.390 3.071 -10.258 1.00 0.00 O ATOM 1093 CB ARG A 72 20.520 0.759 -8.848 1.00 0.00 C ATOM 1094 CG ARG A 72 20.051 -0.002 -7.618 1.00 0.00 C ATOM 1095 CD ARG A 72 20.764 -1.339 -7.486 1.00 0.00 C ATOM 1096 NE ARG A 72 20.211 -2.150 -6.405 1.00 0.00 N ATOM 1097 CZ ARG A 72 20.395 -3.464 -6.295 1.00 0.00 C ATOM 1098 NH1 ARG A 72 21.117 -4.118 -7.196 1.00 0.00 N ATOM 1099 NH2 ARG A 72 19.855 -4.125 -5.281 1.00 0.00 N ATOM 0 H ARG A 72 21.354 2.954 -7.674 1.00 0.00 H new ATOM 0 HA ARG A 72 22.617 0.418 -8.511 1.00 0.00 H new ATOM 0 HB2 ARG A 72 19.860 1.611 -9.011 1.00 0.00 H new ATOM 0 HB3 ARG A 72 20.428 0.113 -9.721 1.00 0.00 H new ATOM 0 HG2 ARG A 72 20.232 0.598 -6.726 1.00 0.00 H new ATOM 0 HG3 ARG A 72 18.975 -0.166 -7.678 1.00 0.00 H new ATOM 0 HD2 ARG A 72 20.686 -1.886 -8.426 1.00 0.00 H new ATOM 0 HD3 ARG A 72 21.825 -1.168 -7.304 1.00 0.00 H new ATOM 0 HE ARG A 72 19.651 -1.682 -5.692 1.00 0.00 H new ATOM 0 HH11 ARG A 72 21.535 -3.614 -7.978 1.00 0.00 H new ATOM 0 HH12 ARG A 72 21.254 -5.125 -7.106 1.00 0.00 H new ATOM 0 HH21 ARG A 72 19.299 -3.627 -4.586 1.00 0.00 H new ATOM 0 HH22 ARG A 72 19.995 -5.132 -5.196 1.00 0.00 H new ATOM 1113 N LYS A 73 22.784 0.989 -11.013 1.00 0.00 N ATOM 1114 CA LYS A 73 23.222 1.434 -12.331 1.00 0.00 C ATOM 1115 C LYS A 73 22.216 1.031 -13.403 1.00 0.00 C ATOM 1116 O LYS A 73 21.589 -0.024 -13.315 1.00 0.00 O ATOM 1117 CB LYS A 73 24.596 0.851 -12.661 1.00 0.00 C ATOM 1118 CG LYS A 73 25.695 1.306 -11.712 1.00 0.00 C ATOM 1119 CD LYS A 73 26.773 2.094 -12.439 1.00 0.00 C ATOM 1120 CE LYS A 73 28.093 2.059 -11.684 1.00 0.00 C ATOM 1121 NZ LYS A 73 27.968 2.638 -10.318 1.00 0.00 N ATOM 0 H LYS A 73 22.801 -0.022 -10.882 1.00 0.00 H new ATOM 0 HA LYS A 73 23.292 2.522 -12.313 1.00 0.00 H new ATOM 0 HB2 LYS A 73 24.535 -0.237 -12.638 1.00 0.00 H new ATOM 0 HB3 LYS A 73 24.866 1.133 -13.679 1.00 0.00 H new ATOM 0 HG2 LYS A 73 25.263 1.922 -10.923 1.00 0.00 H new ATOM 0 HG3 LYS A 73 26.142 0.437 -11.229 1.00 0.00 H new ATOM 0 HD2 LYS A 73 26.913 1.684 -13.439 1.00 0.00 H new ATOM 0 HD3 LYS A 73 26.450 3.128 -12.561 1.00 0.00 H new ATOM 0 HE2 LYS A 73 28.442 1.029 -11.611 1.00 0.00 H new ATOM 0 HE3 LYS A 73 28.847 2.612 -12.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 28.588 2.119 -9.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 28.247 3.640 -10.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 26.982 2.560 -9.997 1.00 0.00 H new ATOM 1135 N ASP A 74 22.064 1.879 -14.414 1.00 0.00 N ATOM 1136 CA ASP A 74 21.133 1.612 -15.503 1.00 0.00 C ATOM 1137 C ASP A 74 21.834 0.908 -16.661 1.00 0.00 C ATOM 1138 O ASP A 74 23.051 0.726 -16.645 1.00 0.00 O ATOM 1139 CB ASP A 74 20.493 2.914 -15.990 1.00 0.00 C ATOM 1140 CG ASP A 74 21.518 3.917 -16.484 1.00 0.00 C ATOM 1141 OD1 ASP A 74 22.635 3.495 -16.844 1.00 0.00 O ATOM 1142 OD2 ASP A 74 21.199 5.124 -16.513 1.00 0.00 O ATOM 0 H ASP A 74 22.574 2.758 -14.502 1.00 0.00 H new ATOM 0 HA ASP A 74 20.351 0.954 -15.124 1.00 0.00 H new ATOM 0 HB2 ASP A 74 19.791 2.691 -16.794 1.00 0.00 H new ATOM 0 HB3 ASP A 74 19.917 3.358 -15.178 1.00 0.00 H new ATOM 1147 N ASN A 75 21.055 0.513 -17.663 1.00 0.00 N ATOM 1148 CA ASN A 75 21.597 -0.173 -18.830 1.00 0.00 C ATOM 1149 C ASN A 75 22.587 0.711 -19.586 1.00 0.00 C ATOM 1150 O ASN A 75 23.387 0.220 -20.382 1.00 0.00 O ATOM 1151 CB ASN A 75 20.465 -0.603 -19.765 1.00 0.00 C ATOM 1152 CG ASN A 75 20.929 -1.591 -20.817 1.00 0.00 C ATOM 1153 OD1 ASN A 75 21.380 -2.691 -20.498 1.00 0.00 O ATOM 1154 ND2 ASN A 75 20.817 -1.204 -22.083 1.00 0.00 N ATOM 0 H ASN A 75 20.046 0.657 -17.690 1.00 0.00 H new ATOM 0 HA ASN A 75 22.130 -1.056 -18.478 1.00 0.00 H new ATOM 0 HB2 ASN A 75 19.663 -1.051 -19.178 1.00 0.00 H new ATOM 0 HB3 ASN A 75 20.048 0.277 -20.255 1.00 0.00 H new ATOM 0 HD21 ASN A 75 21.110 -1.828 -22.835 1.00 0.00 H new ATOM 0 HD22 ASN A 75 20.438 -0.283 -22.303 1.00 0.00 H new ATOM 1161 N GLU A 76 22.527 2.015 -19.337 1.00 0.00 N ATOM 1162 CA GLU A 76 23.420 2.961 -19.999 1.00 0.00 C ATOM 1163 C GLU A 76 24.739 3.111 -19.243 1.00 0.00 C ATOM 1164 O GLU A 76 25.556 3.972 -19.572 1.00 0.00 O ATOM 1165 CB GLU A 76 22.739 4.326 -20.131 1.00 0.00 C ATOM 1166 CG GLU A 76 21.433 4.282 -20.904 1.00 0.00 C ATOM 1167 CD GLU A 76 20.824 5.658 -21.097 1.00 0.00 C ATOM 1168 OE1 GLU A 76 20.243 6.192 -20.130 1.00 0.00 O ATOM 1169 OE2 GLU A 76 20.928 6.200 -22.218 1.00 0.00 O ATOM 0 H GLU A 76 21.871 2.441 -18.683 1.00 0.00 H new ATOM 0 HA GLU A 76 23.642 2.568 -20.991 1.00 0.00 H new ATOM 0 HB2 GLU A 76 22.549 4.725 -19.135 1.00 0.00 H new ATOM 0 HB3 GLU A 76 23.421 5.017 -20.626 1.00 0.00 H new ATOM 0 HG2 GLU A 76 21.607 3.825 -21.878 1.00 0.00 H new ATOM 0 HG3 GLU A 76 20.723 3.645 -20.376 1.00 0.00 H new ATOM 1176 N GLY A 77 24.948 2.272 -18.231 1.00 0.00 N ATOM 1177 CA GLY A 77 26.172 2.338 -17.454 1.00 0.00 C ATOM 1178 C GLY A 77 26.207 3.531 -16.517 1.00 0.00 C ATOM 1179 O GLY A 77 27.251 3.847 -15.946 1.00 0.00 O ATOM 0 H GLY A 77 24.292 1.549 -17.936 1.00 0.00 H new ATOM 0 HA2 GLY A 77 26.279 1.422 -16.873 1.00 0.00 H new ATOM 0 HA3 GLY A 77 27.025 2.388 -18.131 1.00 0.00 H new ATOM 1183 N ASN A 78 25.067 4.198 -16.358 1.00 0.00 N ATOM 1184 CA ASN A 78 24.978 5.361 -15.481 1.00 0.00 C ATOM 1185 C ASN A 78 24.221 5.016 -14.203 1.00 0.00 C ATOM 1186 O ASN A 78 23.294 4.209 -14.218 1.00 0.00 O ATOM 1187 CB ASN A 78 24.287 6.518 -16.203 1.00 0.00 C ATOM 1188 CG ASN A 78 25.035 6.953 -17.447 1.00 0.00 C ATOM 1189 OD1 ASN A 78 26.159 7.448 -17.370 1.00 0.00 O ATOM 1190 ND2 ASN A 78 24.412 6.769 -18.606 1.00 0.00 N ATOM 0 H ASN A 78 24.193 3.953 -16.824 1.00 0.00 H new ATOM 0 HA ASN A 78 25.990 5.665 -15.213 1.00 0.00 H new ATOM 0 HB2 ASN A 78 23.275 6.219 -16.477 1.00 0.00 H new ATOM 0 HB3 ASN A 78 24.196 7.365 -15.523 1.00 0.00 H new ATOM 0 HD21 ASN A 78 24.866 7.042 -19.478 1.00 0.00 H new ATOM 0 HD22 ASN A 78 23.480 6.355 -18.624 1.00 0.00 H new ATOM 1197 N GLU A 79 24.624 5.636 -13.099 1.00 0.00 N ATOM 1198 CA GLU A 79 23.984 5.393 -11.812 1.00 0.00 C ATOM 1199 C GLU A 79 22.613 6.058 -11.750 1.00 0.00 C ATOM 1200 O GLU A 79 22.388 7.099 -12.367 1.00 0.00 O ATOM 1201 CB GLU A 79 24.867 5.906 -10.674 1.00 0.00 C ATOM 1202 CG GLU A 79 26.225 5.229 -10.602 1.00 0.00 C ATOM 1203 CD GLU A 79 27.055 5.705 -9.426 1.00 0.00 C ATOM 1204 OE1 GLU A 79 26.681 6.723 -8.806 1.00 0.00 O ATOM 1205 OE2 GLU A 79 28.080 5.059 -9.123 1.00 0.00 O ATOM 0 H GLU A 79 25.390 6.309 -13.070 1.00 0.00 H new ATOM 0 HA GLU A 79 23.849 4.317 -11.700 1.00 0.00 H new ATOM 0 HB2 GLU A 79 25.012 6.980 -10.794 1.00 0.00 H new ATOM 0 HB3 GLU A 79 24.347 5.759 -9.728 1.00 0.00 H new ATOM 0 HG2 GLU A 79 26.085 4.150 -10.530 1.00 0.00 H new ATOM 0 HG3 GLU A 79 26.770 5.419 -11.527 1.00 0.00 H new ATOM 1212 N VAL A 80 21.701 5.447 -11.003 1.00 0.00 N ATOM 1213 CA VAL A 80 20.350 5.977 -10.858 1.00 0.00 C ATOM 1214 C VAL A 80 19.893 5.916 -9.406 1.00 0.00 C ATOM 1215 O VAL A 80 20.417 5.136 -8.614 1.00 0.00 O ATOM 1216 CB VAL A 80 19.335 5.207 -11.738 1.00 0.00 C ATOM 1217 CG1 VAL A 80 19.924 4.916 -13.109 1.00 0.00 C ATOM 1218 CG2 VAL A 80 18.881 3.916 -11.060 1.00 0.00 C ATOM 0 H VAL A 80 21.872 4.583 -10.488 1.00 0.00 H new ATOM 0 HA VAL A 80 20.384 7.016 -11.187 1.00 0.00 H new ATOM 0 HB VAL A 80 18.458 5.841 -11.868 1.00 0.00 H new ATOM 0 HG11 VAL A 80 19.194 4.374 -13.711 1.00 0.00 H new ATOM 0 HG12 VAL A 80 20.177 5.854 -13.603 1.00 0.00 H new ATOM 0 HG13 VAL A 80 20.823 4.310 -12.998 1.00 0.00 H new ATOM 0 HG21 VAL A 80 18.169 3.398 -11.703 1.00 0.00 H new ATOM 0 HG22 VAL A 80 19.744 3.274 -10.884 1.00 0.00 H new ATOM 0 HG23 VAL A 80 18.405 4.153 -10.108 1.00 0.00 H new ATOM 1228 N VAL A 81 18.902 6.732 -9.072 1.00 0.00 N ATOM 1229 CA VAL A 81 18.355 6.754 -7.724 1.00 0.00 C ATOM 1230 C VAL A 81 17.054 5.959 -7.684 1.00 0.00 C ATOM 1231 O VAL A 81 16.001 6.464 -8.074 1.00 0.00 O ATOM 1232 CB VAL A 81 18.085 8.193 -7.244 1.00 0.00 C ATOM 1233 CG1 VAL A 81 17.696 8.202 -5.775 1.00 0.00 C ATOM 1234 CG2 VAL A 81 19.302 9.074 -7.488 1.00 0.00 C ATOM 0 H VAL A 81 18.461 7.387 -9.717 1.00 0.00 H new ATOM 0 HA VAL A 81 19.092 6.305 -7.059 1.00 0.00 H new ATOM 0 HB VAL A 81 17.251 8.598 -7.818 1.00 0.00 H new ATOM 0 HG11 VAL A 81 17.509 9.227 -5.454 1.00 0.00 H new ATOM 0 HG12 VAL A 81 16.793 7.608 -5.634 1.00 0.00 H new ATOM 0 HG13 VAL A 81 18.506 7.778 -5.182 1.00 0.00 H new ATOM 0 HG21 VAL A 81 19.093 10.087 -7.143 1.00 0.00 H new ATOM 0 HG22 VAL A 81 20.156 8.674 -6.942 1.00 0.00 H new ATOM 0 HG23 VAL A 81 19.529 9.094 -8.554 1.00 0.00 H new ATOM 1244 N PRO A 82 17.108 4.694 -7.230 1.00 0.00 N ATOM 1245 CA PRO A 82 15.927 3.833 -7.166 1.00 0.00 C ATOM 1246 C PRO A 82 14.703 4.550 -6.607 1.00 0.00 C ATOM 1247 O PRO A 82 14.817 5.400 -5.724 1.00 0.00 O ATOM 1248 CB PRO A 82 16.365 2.713 -6.225 1.00 0.00 C ATOM 1249 CG PRO A 82 17.837 2.609 -6.424 1.00 0.00 C ATOM 1250 CD PRO A 82 18.321 3.996 -6.759 1.00 0.00 C ATOM 0 HA PRO A 82 15.620 3.491 -8.154 1.00 0.00 H new ATOM 0 HB2 PRO A 82 16.121 2.948 -5.189 1.00 0.00 H new ATOM 0 HB3 PRO A 82 15.865 1.775 -6.466 1.00 0.00 H new ATOM 0 HG2 PRO A 82 18.325 2.234 -5.524 1.00 0.00 H new ATOM 0 HG3 PRO A 82 18.072 1.911 -7.228 1.00 0.00 H new ATOM 0 HD2 PRO A 82 18.752 4.489 -5.888 1.00 0.00 H new ATOM 0 HD3 PRO A 82 19.093 3.974 -7.528 1.00 0.00 H new ATOM 1258 N LYS A 83 13.533 4.200 -7.127 1.00 0.00 N ATOM 1259 CA LYS A 83 12.284 4.807 -6.680 1.00 0.00 C ATOM 1260 C LYS A 83 11.619 3.954 -5.611 1.00 0.00 C ATOM 1261 O LYS A 83 11.794 2.736 -5.569 1.00 0.00 O ATOM 1262 CB LYS A 83 11.334 5.007 -7.861 1.00 0.00 C ATOM 1263 CG LYS A 83 11.496 6.351 -8.552 1.00 0.00 C ATOM 1264 CD LYS A 83 10.938 6.323 -9.967 1.00 0.00 C ATOM 1265 CE LYS A 83 11.971 5.820 -10.962 1.00 0.00 C ATOM 1266 NZ LYS A 83 11.880 6.535 -12.264 1.00 0.00 N ATOM 0 H LYS A 83 13.422 3.499 -7.859 1.00 0.00 H new ATOM 0 HA LYS A 83 12.517 5.780 -6.248 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.499 4.212 -8.588 1.00 0.00 H new ATOM 0 HB3 LYS A 83 10.307 4.910 -7.510 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.986 7.122 -7.974 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.552 6.621 -8.582 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.057 5.682 -10.000 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.614 7.324 -10.252 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.970 5.950 -10.545 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.829 4.751 -11.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.601 6.163 -12.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.935 6.391 -12.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.040 7.552 -12.114 1.00 0.00 H new ATOM 1280 N PRO A 84 10.859 4.597 -4.715 1.00 0.00 N ATOM 1281 CA PRO A 84 10.169 3.926 -3.611 1.00 0.00 C ATOM 1282 C PRO A 84 8.990 3.083 -4.079 1.00 0.00 C ATOM 1283 O PRO A 84 8.281 3.455 -5.015 1.00 0.00 O ATOM 1284 CB PRO A 84 9.692 5.087 -2.730 1.00 0.00 C ATOM 1285 CG PRO A 84 10.461 6.264 -3.218 1.00 0.00 C ATOM 1286 CD PRO A 84 10.623 6.040 -4.680 1.00 0.00 C ATOM 0 HA PRO A 84 10.822 3.223 -3.094 1.00 0.00 H new ATOM 0 HB2 PRO A 84 8.618 5.245 -2.829 1.00 0.00 H new ATOM 0 HB3 PRO A 84 9.890 4.893 -1.676 1.00 0.00 H new ATOM 0 HG2 PRO A 84 9.928 7.194 -3.018 1.00 0.00 H new ATOM 0 HG3 PRO A 84 11.428 6.337 -2.721 1.00 0.00 H new ATOM 0 HD2 PRO A 84 9.734 6.327 -5.242 1.00 0.00 H new ATOM 0 HD3 PRO A 84 11.458 6.605 -5.094 1.00 0.00 H new ATOM 1294 N GLN A 85 8.786 1.943 -3.426 1.00 0.00 N ATOM 1295 CA GLN A 85 7.692 1.047 -3.777 1.00 0.00 C ATOM 1296 C GLN A 85 6.341 1.700 -3.504 1.00 0.00 C ATOM 1297 O GLN A 85 6.216 2.544 -2.618 1.00 0.00 O ATOM 1298 CB GLN A 85 7.803 -0.263 -2.993 1.00 0.00 C ATOM 1299 CG GLN A 85 8.838 -1.225 -3.554 1.00 0.00 C ATOM 1300 CD GLN A 85 8.645 -1.495 -5.034 1.00 0.00 C ATOM 1301 OE1 GLN A 85 7.542 -1.809 -5.480 1.00 0.00 O ATOM 1302 NE2 GLN A 85 9.721 -1.373 -5.802 1.00 0.00 N ATOM 0 H GLN A 85 9.365 1.619 -2.651 1.00 0.00 H new ATOM 0 HA GLN A 85 7.763 0.833 -4.843 1.00 0.00 H new ATOM 0 HB2 GLN A 85 8.055 -0.036 -1.957 1.00 0.00 H new ATOM 0 HB3 GLN A 85 6.830 -0.754 -2.984 1.00 0.00 H new ATOM 0 HG2 GLN A 85 9.835 -0.815 -3.391 1.00 0.00 H new ATOM 0 HG3 GLN A 85 8.787 -2.167 -3.007 1.00 0.00 H new ATOM 0 HE21 GLN A 85 10.616 -1.110 -5.388 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.653 -1.542 -6.806 1.00 0.00 H new ATOM 1311 N ARG A 86 5.334 1.300 -4.270 1.00 0.00 N ATOM 1312 CA ARG A 86 3.990 1.840 -4.113 1.00 0.00 C ATOM 1313 C ARG A 86 2.945 0.791 -4.479 1.00 0.00 C ATOM 1314 O ARG A 86 2.913 0.302 -5.609 1.00 0.00 O ATOM 1315 CB ARG A 86 3.812 3.082 -4.987 1.00 0.00 C ATOM 1316 CG ARG A 86 4.754 4.219 -4.626 1.00 0.00 C ATOM 1317 CD ARG A 86 4.431 5.481 -5.410 1.00 0.00 C ATOM 1318 NE ARG A 86 5.486 6.485 -5.289 1.00 0.00 N ATOM 1319 CZ ARG A 86 5.351 7.752 -5.673 1.00 0.00 C ATOM 1320 NH1 ARG A 86 4.208 8.174 -6.200 1.00 0.00 N ATOM 1321 NH2 ARG A 86 6.360 8.600 -5.527 1.00 0.00 N ATOM 0 H ARG A 86 5.423 0.602 -5.008 1.00 0.00 H new ATOM 0 HA ARG A 86 3.853 2.120 -3.068 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.970 2.808 -6.030 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.783 3.432 -4.901 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.684 4.425 -3.558 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.782 3.918 -4.826 1.00 0.00 H new ATOM 0 HD2 ARG A 86 4.289 5.229 -6.461 1.00 0.00 H new ATOM 0 HD3 ARG A 86 3.490 5.899 -5.053 1.00 0.00 H new ATOM 0 HE ARG A 86 6.378 6.198 -4.887 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.428 7.526 -6.312 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.110 9.146 -6.493 1.00 0.00 H new ATOM 0 HH21 ARG A 86 7.239 8.281 -5.120 1.00 0.00 H new ATOM 0 HH22 ARG A 86 6.257 9.571 -5.821 1.00 0.00 H new ATOM 1335 N HIS A 87 2.093 0.445 -3.520 1.00 0.00 N ATOM 1336 CA HIS A 87 1.050 -0.548 -3.747 1.00 0.00 C ATOM 1337 C HIS A 87 -0.285 0.128 -4.042 1.00 0.00 C ATOM 1338 O HIS A 87 -0.544 1.237 -3.576 1.00 0.00 O ATOM 1339 CB HIS A 87 0.913 -1.465 -2.529 1.00 0.00 C ATOM 1340 CG HIS A 87 2.217 -2.029 -2.056 1.00 0.00 C ATOM 1341 ND1 HIS A 87 2.863 -3.070 -2.690 1.00 0.00 N ATOM 1342 CD2 HIS A 87 2.997 -1.692 -1.000 1.00 0.00 C ATOM 1343 CE1 HIS A 87 3.983 -3.349 -2.044 1.00 0.00 C ATOM 1344 NE2 HIS A 87 4.087 -2.527 -1.018 1.00 0.00 N ATOM 0 H HIS A 87 2.104 0.837 -2.579 1.00 0.00 H new ATOM 0 HA HIS A 87 1.335 -1.147 -4.612 1.00 0.00 H new ATOM 0 HB2 HIS A 87 0.451 -0.907 -1.715 1.00 0.00 H new ATOM 0 HB3 HIS A 87 0.240 -2.286 -2.776 1.00 0.00 H new ATOM 0 HD2 HIS A 87 2.798 -0.913 -0.279 1.00 0.00 H new ATOM 0 HE1 HIS A 87 4.692 -4.119 -2.311 1.00 0.00 H new ATOM 0 HE2 HIS A 87 4.854 -2.514 -0.346 1.00 0.00 H new ATOM 1353 N MET A 88 -1.127 -0.545 -4.819 1.00 0.00 N ATOM 1354 CA MET A 88 -2.433 -0.003 -5.176 1.00 0.00 C ATOM 1355 C MET A 88 -3.542 -1.006 -4.885 1.00 0.00 C ATOM 1356 O MET A 88 -3.536 -2.123 -5.401 1.00 0.00 O ATOM 1357 CB MET A 88 -2.459 0.390 -6.655 1.00 0.00 C ATOM 1358 CG MET A 88 -3.578 1.358 -7.007 1.00 0.00 C ATOM 1359 SD MET A 88 -4.984 0.542 -7.786 1.00 0.00 S ATOM 1360 CE MET A 88 -6.083 1.933 -8.045 1.00 0.00 C ATOM 0 H MET A 88 -0.929 -1.465 -5.213 1.00 0.00 H new ATOM 0 HA MET A 88 -2.606 0.884 -4.567 1.00 0.00 H new ATOM 0 HB2 MET A 88 -1.503 0.841 -6.920 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.565 -0.510 -7.260 1.00 0.00 H new ATOM 0 HG2 MET A 88 -3.913 1.865 -6.102 1.00 0.00 H new ATOM 0 HG3 MET A 88 -3.191 2.126 -7.677 1.00 0.00 H new ATOM 0 HE1 MET A 88 -7.052 1.572 -8.388 1.00 0.00 H new ATOM 0 HE2 MET A 88 -6.209 2.476 -7.109 1.00 0.00 H new ATOM 0 HE3 MET A 88 -5.657 2.598 -8.796 1.00 0.00 H new ATOM 1370 N PHE A 89 -4.497 -0.596 -4.056 1.00 0.00 N ATOM 1371 CA PHE A 89 -5.619 -1.453 -3.696 1.00 0.00 C ATOM 1372 C PHE A 89 -6.943 -0.737 -3.945 1.00 0.00 C ATOM 1373 O PHE A 89 -7.003 0.492 -3.945 1.00 0.00 O ATOM 1374 CB PHE A 89 -5.520 -1.869 -2.226 1.00 0.00 C ATOM 1375 CG PHE A 89 -4.329 -2.736 -1.925 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -3.099 -2.169 -1.634 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -4.442 -4.118 -1.933 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -2.003 -2.965 -1.355 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -3.350 -4.917 -1.655 1.00 0.00 C ATOM 1380 CZ PHE A 89 -2.129 -4.340 -1.365 1.00 0.00 C ATOM 0 H PHE A 89 -4.515 0.326 -3.621 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.581 -2.345 -4.321 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.473 -0.974 -1.606 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.428 -2.403 -1.946 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.995 -1.094 -1.625 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.394 -4.575 -2.159 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.049 -2.511 -1.129 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.451 -5.992 -1.664 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.274 -4.963 -1.146 1.00 0.00 H new ATOM 1390 N SER A 90 -8.002 -1.511 -4.157 1.00 0.00 N ATOM 1391 CA SER A 90 -9.322 -0.944 -4.408 1.00 0.00 C ATOM 1392 C SER A 90 -10.368 -1.573 -3.495 1.00 0.00 C ATOM 1393 O SER A 90 -10.405 -2.791 -3.321 1.00 0.00 O ATOM 1394 CB SER A 90 -9.718 -1.139 -5.872 1.00 0.00 C ATOM 1395 OG SER A 90 -11.037 -0.681 -6.110 1.00 0.00 O ATOM 0 H SER A 90 -7.972 -2.531 -4.160 1.00 0.00 H new ATOM 0 HA SER A 90 -9.276 0.124 -4.194 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.022 -0.601 -6.515 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.643 -2.194 -6.134 1.00 0.00 H new ATOM 0 HG SER A 90 -11.265 -0.816 -7.054 1.00 0.00 H new ATOM 1401 N PHE A 91 -11.220 -0.736 -2.913 1.00 0.00 N ATOM 1402 CA PHE A 91 -12.267 -1.211 -2.019 1.00 0.00 C ATOM 1403 C PHE A 91 -13.627 -0.675 -2.450 1.00 0.00 C ATOM 1404 O PHE A 91 -13.728 0.429 -2.985 1.00 0.00 O ATOM 1405 CB PHE A 91 -11.974 -0.781 -0.580 1.00 0.00 C ATOM 1406 CG PHE A 91 -10.593 -1.145 -0.112 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -9.477 -0.552 -0.680 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -10.413 -2.077 0.898 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -8.206 -0.883 -0.249 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -9.144 -2.411 1.332 1.00 0.00 C ATOM 1411 CZ PHE A 91 -8.039 -1.813 0.758 1.00 0.00 C ATOM 0 H PHE A 91 -11.205 0.275 -3.045 1.00 0.00 H new ATOM 0 HA PHE A 91 -12.287 -2.300 -2.069 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -12.103 0.298 -0.499 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -12.706 -1.241 0.084 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -9.601 0.176 -1.468 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -11.273 -2.547 1.351 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -7.344 -0.414 -0.700 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -9.016 -3.139 2.119 1.00 0.00 H new ATOM 0 HZ PHE A 91 -7.047 -2.072 1.096 1.00 0.00 H new ATOM 1421 N ASN A 92 -14.672 -1.459 -2.214 1.00 0.00 N ATOM 1422 CA ASN A 92 -16.023 -1.055 -2.579 1.00 0.00 C ATOM 1423 C ASN A 92 -16.746 -0.415 -1.399 1.00 0.00 C ATOM 1424 O ASN A 92 -17.682 0.364 -1.580 1.00 0.00 O ATOM 1425 CB ASN A 92 -16.822 -2.248 -3.090 1.00 0.00 C ATOM 1426 CG ASN A 92 -16.145 -2.948 -4.251 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -15.284 -2.375 -4.919 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -16.533 -4.193 -4.499 1.00 0.00 N ATOM 0 H ASN A 92 -14.610 -2.376 -1.772 1.00 0.00 H new ATOM 0 HA ASN A 92 -15.941 -0.315 -3.375 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -16.967 -2.959 -2.277 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -17.812 -1.912 -3.400 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -16.114 -4.714 -5.269 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -17.250 -4.629 -3.919 1.00 0.00 H new ATOM 1435 N ASN A 93 -16.309 -0.750 -0.192 1.00 0.00 N ATOM 1436 CA ASN A 93 -16.915 -0.209 1.016 1.00 0.00 C ATOM 1437 C ASN A 93 -16.000 0.825 1.665 1.00 0.00 C ATOM 1438 O ASN A 93 -14.901 0.499 2.114 1.00 0.00 O ATOM 1439 CB ASN A 93 -17.216 -1.333 2.009 1.00 0.00 C ATOM 1440 CG ASN A 93 -18.283 -2.284 1.499 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -19.050 -1.947 0.597 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -18.337 -3.477 2.078 1.00 0.00 N ATOM 0 H ASN A 93 -15.536 -1.394 -0.024 1.00 0.00 H new ATOM 0 HA ASN A 93 -17.849 0.280 0.737 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -16.302 -1.891 2.210 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -17.540 -0.901 2.956 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -19.035 -4.158 1.779 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -17.681 -3.713 2.822 1.00 0.00 H new ATOM 1449 N ARG A 94 -16.460 2.071 1.706 1.00 0.00 N ATOM 1450 CA ARG A 94 -15.680 3.152 2.297 1.00 0.00 C ATOM 1451 C ARG A 94 -15.326 2.839 3.746 1.00 0.00 C ATOM 1452 O ARG A 94 -14.279 3.249 4.247 1.00 0.00 O ATOM 1453 CB ARG A 94 -16.453 4.470 2.219 1.00 0.00 C ATOM 1454 CG ARG A 94 -15.623 5.686 2.599 1.00 0.00 C ATOM 1455 CD ARG A 94 -15.742 6.002 4.081 1.00 0.00 C ATOM 1456 NE ARG A 94 -15.019 7.218 4.441 1.00 0.00 N ATOM 1457 CZ ARG A 94 -14.673 7.533 5.688 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -14.980 6.723 6.694 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -14.016 8.660 5.928 1.00 0.00 N ATOM 0 H ARG A 94 -17.367 2.357 1.338 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.754 3.250 1.730 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -16.830 4.601 1.205 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -17.320 4.412 2.877 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -14.578 5.507 2.347 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -15.949 6.547 2.015 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -16.794 6.114 4.344 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -15.355 5.165 4.662 1.00 0.00 H new ATOM 0 HE ARG A 94 -14.764 7.864 3.694 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -15.483 5.854 6.514 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -14.712 6.969 7.647 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -13.776 9.284 5.158 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -13.751 8.902 6.883 1.00 0.00 H new ATOM 1473 N THR A 95 -16.209 2.106 4.408 1.00 0.00 N ATOM 1474 CA THR A 95 -16.019 1.725 5.786 1.00 0.00 C ATOM 1475 C THR A 95 -14.802 0.819 5.946 1.00 0.00 C ATOM 1476 O THR A 95 -13.990 1.007 6.852 1.00 0.00 O ATOM 1477 CB THR A 95 -17.269 1.021 6.273 1.00 0.00 C ATOM 1478 OG1 THR A 95 -18.377 1.326 5.442 1.00 0.00 O ATOM 1479 CG2 THR A 95 -17.647 1.385 7.682 1.00 0.00 C ATOM 0 H THR A 95 -17.077 1.762 3.997 1.00 0.00 H new ATOM 0 HA THR A 95 -15.840 2.620 6.382 1.00 0.00 H new ATOM 0 HB THR A 95 -17.030 -0.042 6.239 1.00 0.00 H new ATOM 0 HG1 THR A 95 -19.173 0.860 5.774 1.00 0.00 H new ATOM 0 HG21 THR A 95 -18.550 0.846 7.967 1.00 0.00 H new ATOM 0 HG22 THR A 95 -16.835 1.116 8.358 1.00 0.00 H new ATOM 0 HG23 THR A 95 -17.830 2.458 7.744 1.00 0.00 H new ATOM 1487 N VAL A 96 -14.681 -0.163 5.058 1.00 0.00 N ATOM 1488 CA VAL A 96 -13.561 -1.096 5.100 1.00 0.00 C ATOM 1489 C VAL A 96 -12.235 -0.353 4.993 1.00 0.00 C ATOM 1490 O VAL A 96 -11.292 -0.634 5.733 1.00 0.00 O ATOM 1491 CB VAL A 96 -13.654 -2.140 3.970 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -12.487 -3.113 4.035 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -14.979 -2.885 4.041 1.00 0.00 C ATOM 0 H VAL A 96 -15.344 -0.333 4.302 1.00 0.00 H new ATOM 0 HA VAL A 96 -13.609 -1.614 6.058 1.00 0.00 H new ATOM 0 HB VAL A 96 -13.604 -1.616 3.016 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.574 -3.840 3.228 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.550 -2.565 3.930 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -12.499 -3.632 4.994 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -15.028 -3.618 3.236 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -15.059 -3.395 5.001 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -15.801 -2.177 3.937 1.00 0.00 H new ATOM 1503 N MET A 97 -12.172 0.606 4.075 1.00 0.00 N ATOM 1504 CA MET A 97 -10.964 1.396 3.884 1.00 0.00 C ATOM 1505 C MET A 97 -10.619 2.151 5.160 1.00 0.00 C ATOM 1506 O MET A 97 -9.447 2.377 5.466 1.00 0.00 O ATOM 1507 CB MET A 97 -11.146 2.382 2.729 1.00 0.00 C ATOM 1508 CG MET A 97 -11.447 1.710 1.400 1.00 0.00 C ATOM 1509 SD MET A 97 -10.487 2.398 0.037 1.00 0.00 S ATOM 1510 CE MET A 97 -10.812 4.147 0.243 1.00 0.00 C ATOM 0 H MET A 97 -12.942 0.853 3.454 1.00 0.00 H new ATOM 0 HA MET A 97 -10.146 0.718 3.641 1.00 0.00 H new ATOM 0 HB2 MET A 97 -11.957 3.068 2.972 1.00 0.00 H new ATOM 0 HB3 MET A 97 -10.241 2.981 2.627 1.00 0.00 H new ATOM 0 HG2 MET A 97 -11.240 0.643 1.482 1.00 0.00 H new ATOM 0 HG3 MET A 97 -12.509 1.812 1.178 1.00 0.00 H new ATOM 0 HE1 MET A 97 -11.274 4.540 -0.662 1.00 0.00 H new ATOM 0 HE2 MET A 97 -11.485 4.295 1.088 1.00 0.00 H new ATOM 0 HE3 MET A 97 -9.875 4.672 0.429 1.00 0.00 H new ATOM 1520 N ASP A 98 -11.650 2.533 5.906 1.00 0.00 N ATOM 1521 CA ASP A 98 -11.461 3.258 7.154 1.00 0.00 C ATOM 1522 C ASP A 98 -10.724 2.400 8.174 1.00 0.00 C ATOM 1523 O ASP A 98 -10.001 2.911 9.024 1.00 0.00 O ATOM 1524 CB ASP A 98 -12.808 3.706 7.722 1.00 0.00 C ATOM 1525 CG ASP A 98 -12.658 4.669 8.885 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -11.545 5.202 9.073 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -13.653 4.889 9.606 1.00 0.00 O ATOM 0 H ASP A 98 -12.625 2.352 5.667 1.00 0.00 H new ATOM 0 HA ASP A 98 -10.856 4.140 6.943 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -13.391 4.182 6.933 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.370 2.831 8.049 1.00 0.00 H new ATOM 1532 N ASN A 99 -10.917 1.091 8.079 1.00 0.00 N ATOM 1533 CA ASN A 99 -10.270 0.154 8.991 1.00 0.00 C ATOM 1534 C ASN A 99 -8.833 -0.123 8.562 1.00 0.00 C ATOM 1535 O ASN A 99 -7.906 -0.032 9.367 1.00 0.00 O ATOM 1536 CB ASN A 99 -11.056 -1.156 9.059 1.00 0.00 C ATOM 1537 CG ASN A 99 -12.507 -0.940 9.444 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -12.808 -0.229 10.403 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -13.415 -1.554 8.695 1.00 0.00 N ATOM 0 H ASN A 99 -11.516 0.653 7.380 1.00 0.00 H new ATOM 0 HA ASN A 99 -10.253 0.609 9.981 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -11.010 -1.655 8.091 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -10.586 -1.821 9.783 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -14.407 -1.446 8.905 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -13.120 -2.134 7.909 1.00 0.00 H new ATOM 1546 N ILE A 100 -8.653 -0.458 7.288 1.00 0.00 N ATOM 1547 CA ILE A 100 -7.327 -0.750 6.751 1.00 0.00 C ATOM 1548 C ILE A 100 -6.391 0.442 6.927 1.00 0.00 C ATOM 1549 O ILE A 100 -5.289 0.308 7.456 1.00 0.00 O ATOM 1550 CB ILE A 100 -7.393 -1.112 5.253 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -8.354 -2.281 5.026 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -6.006 -1.448 4.721 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -7.837 -3.599 5.556 1.00 0.00 C ATOM 0 H ILE A 100 -9.409 -0.534 6.607 1.00 0.00 H new ATOM 0 HA ILE A 100 -6.941 -1.603 7.309 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.769 -0.247 4.707 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.307 -2.055 5.504 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.548 -2.379 3.958 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.074 -1.701 3.663 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.349 -0.587 4.847 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.601 -2.297 5.272 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.569 -4.382 5.360 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -6.899 -3.848 5.060 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.670 -3.519 6.630 1.00 0.00 H new ATOM 1565 N LYS A 101 -6.841 1.603 6.473 1.00 0.00 N ATOM 1566 CA LYS A 101 -6.049 2.821 6.570 1.00 0.00 C ATOM 1567 C LYS A 101 -5.754 3.164 8.023 1.00 0.00 C ATOM 1568 O LYS A 101 -4.706 3.727 8.341 1.00 0.00 O ATOM 1569 CB LYS A 101 -6.792 3.977 5.900 1.00 0.00 C ATOM 1570 CG LYS A 101 -5.888 5.125 5.482 1.00 0.00 C ATOM 1571 CD LYS A 101 -6.520 6.473 5.792 1.00 0.00 C ATOM 1572 CE LYS A 101 -7.889 6.617 5.141 1.00 0.00 C ATOM 1573 NZ LYS A 101 -8.032 7.918 4.432 1.00 0.00 N ATOM 0 H LYS A 101 -7.753 1.727 6.033 1.00 0.00 H new ATOM 0 HA LYS A 101 -5.100 2.656 6.059 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -7.315 3.600 5.021 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.551 4.355 6.585 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -4.932 5.043 5.998 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -5.681 5.056 4.414 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -6.616 6.590 6.871 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -5.865 7.271 5.442 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -8.043 5.800 4.436 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -8.664 6.531 5.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -8.613 7.787 3.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -8.491 8.608 5.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -7.092 8.270 4.159 1.00 0.00 H new ATOM 1587 N MET A 102 -6.686 2.820 8.897 1.00 0.00 N ATOM 1588 CA MET A 102 -6.540 3.085 10.323 1.00 0.00 C ATOM 1589 C MET A 102 -5.627 2.062 10.981 1.00 0.00 C ATOM 1590 O MET A 102 -4.815 2.403 11.841 1.00 0.00 O ATOM 1591 CB MET A 102 -7.904 3.084 11.014 1.00 0.00 C ATOM 1592 CG MET A 102 -8.609 4.431 10.969 1.00 0.00 C ATOM 1593 SD MET A 102 -10.006 4.523 12.107 1.00 0.00 S ATOM 1594 CE MET A 102 -10.973 3.113 11.574 1.00 0.00 C ATOM 0 H MET A 102 -7.557 2.354 8.644 1.00 0.00 H new ATOM 0 HA MET A 102 -6.088 4.071 10.431 1.00 0.00 H new ATOM 0 HB2 MET A 102 -8.540 2.334 10.543 1.00 0.00 H new ATOM 0 HB3 MET A 102 -7.775 2.785 12.054 1.00 0.00 H new ATOM 0 HG2 MET A 102 -7.895 5.218 11.212 1.00 0.00 H new ATOM 0 HG3 MET A 102 -8.959 4.620 9.954 1.00 0.00 H new ATOM 0 HE1 MET A 102 -11.835 2.994 12.230 1.00 0.00 H new ATOM 0 HE2 MET A 102 -11.314 3.272 10.551 1.00 0.00 H new ATOM 0 HE3 MET A 102 -10.359 2.214 11.616 1.00 0.00 H new ATOM 1604 N THR A 103 -5.769 0.803 10.582 1.00 0.00 N ATOM 1605 CA THR A 103 -4.959 -0.264 11.146 1.00 0.00 C ATOM 1606 C THR A 103 -3.514 -0.182 10.655 1.00 0.00 C ATOM 1607 O THR A 103 -2.579 -0.380 11.429 1.00 0.00 O ATOM 1608 CB THR A 103 -5.582 -1.619 10.811 1.00 0.00 C ATOM 1609 OG1 THR A 103 -6.055 -2.254 11.987 1.00 0.00 O ATOM 1610 CG2 THR A 103 -4.627 -2.560 10.136 1.00 0.00 C ATOM 0 H THR A 103 -6.436 0.499 9.872 1.00 0.00 H new ATOM 0 HA THR A 103 -4.936 -0.149 12.230 1.00 0.00 H new ATOM 0 HB THR A 103 -6.399 -1.402 10.122 1.00 0.00 H new ATOM 0 HG1 THR A 103 -6.003 -3.226 11.877 1.00 0.00 H new ATOM 0 HG21 THR A 103 -5.132 -3.503 9.926 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.280 -2.118 9.202 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.774 -2.743 10.789 1.00 0.00 H new ATOM 1618 N LEU A 104 -3.336 0.112 9.371 1.00 0.00 N ATOM 1619 CA LEU A 104 -2.000 0.216 8.800 1.00 0.00 C ATOM 1620 C LEU A 104 -1.229 1.369 9.434 1.00 0.00 C ATOM 1621 O LEU A 104 -0.030 1.261 9.687 1.00 0.00 O ATOM 1622 CB LEU A 104 -2.078 0.403 7.285 1.00 0.00 C ATOM 1623 CG LEU A 104 -2.089 -0.893 6.476 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -2.403 -0.608 5.015 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -0.756 -1.613 6.607 1.00 0.00 C ATOM 0 H LEU A 104 -4.095 0.281 8.711 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.468 -0.712 9.011 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.979 0.969 7.049 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.229 1.007 6.964 1.00 0.00 H new ATOM 0 HG LEU A 104 -2.870 -1.541 6.873 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.406 -1.543 4.455 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.382 -0.136 4.939 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.645 0.059 4.603 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.781 -2.534 6.025 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.043 -0.971 6.236 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.573 -1.851 7.655 1.00 0.00 H new ATOM 1637 N GLN A 105 -1.926 2.470 9.697 1.00 0.00 N ATOM 1638 CA GLN A 105 -1.305 3.638 10.309 1.00 0.00 C ATOM 1639 C GLN A 105 -0.847 3.325 11.728 1.00 0.00 C ATOM 1640 O GLN A 105 0.116 3.908 12.225 1.00 0.00 O ATOM 1641 CB GLN A 105 -2.279 4.819 10.318 1.00 0.00 C ATOM 1642 CG GLN A 105 -1.911 5.917 9.334 1.00 0.00 C ATOM 1643 CD GLN A 105 -3.128 6.557 8.692 1.00 0.00 C ATOM 1644 OE1 GLN A 105 -4.266 6.209 9.008 1.00 0.00 O ATOM 1645 NE2 GLN A 105 -2.891 7.499 7.785 1.00 0.00 N ATOM 0 H GLN A 105 -2.920 2.577 9.496 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.431 3.908 9.716 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -3.280 4.456 10.087 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -2.317 5.240 11.323 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -1.332 6.683 9.850 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -1.270 5.503 8.556 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -1.931 7.755 7.555 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -3.669 7.966 7.319 1.00 0.00 H new ATOM 1654 N GLN A 106 -1.541 2.396 12.369 1.00 0.00 N ATOM 1655 CA GLN A 106 -1.207 1.996 13.731 1.00 0.00 C ATOM 1656 C GLN A 106 0.125 1.255 13.763 1.00 0.00 C ATOM 1657 O GLN A 106 0.901 1.396 14.709 1.00 0.00 O ATOM 1658 CB GLN A 106 -2.310 1.111 14.313 1.00 0.00 C ATOM 1659 CG GLN A 106 -3.562 1.878 14.705 1.00 0.00 C ATOM 1660 CD GLN A 106 -4.697 0.967 15.128 1.00 0.00 C ATOM 1661 OE1 GLN A 106 -4.684 -0.231 14.845 1.00 0.00 O ATOM 1662 NE2 GLN A 106 -5.688 1.531 15.807 1.00 0.00 N ATOM 0 H GLN A 106 -2.340 1.904 11.969 1.00 0.00 H new ATOM 0 HA GLN A 106 -1.120 2.897 14.338 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.576 0.348 13.582 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -1.923 0.592 15.190 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -3.325 2.560 15.522 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -3.887 2.490 13.863 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -5.658 2.528 16.020 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -6.480 0.967 16.116 1.00 0.00 H new ATOM 1671 N ILE A 107 0.386 0.468 12.723 1.00 0.00 N ATOM 1672 CA ILE A 107 1.626 -0.294 12.634 1.00 0.00 C ATOM 1673 C ILE A 107 2.823 0.628 12.441 1.00 0.00 C ATOM 1674 O ILE A 107 3.836 0.494 13.126 1.00 0.00 O ATOM 1675 CB ILE A 107 1.574 -1.315 11.481 1.00 0.00 C ATOM 1676 CG1 ILE A 107 0.363 -2.236 11.642 1.00 0.00 C ATOM 1677 CG2 ILE A 107 2.859 -2.128 11.428 1.00 0.00 C ATOM 1678 CD1 ILE A 107 0.038 -3.031 10.397 1.00 0.00 C ATOM 0 H ILE A 107 -0.245 0.342 11.931 1.00 0.00 H new ATOM 0 HA ILE A 107 1.740 -0.832 13.575 1.00 0.00 H new ATOM 0 HB ILE A 107 1.474 -0.771 10.542 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.548 -2.926 12.465 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -0.505 -1.637 11.917 1.00 0.00 H new ATOM 0 HG21 ILE A 107 2.803 -2.843 10.608 1.00 0.00 H new ATOM 0 HG22 ILE A 107 3.706 -1.460 11.270 1.00 0.00 H new ATOM 0 HG23 ILE A 107 2.990 -2.664 12.368 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -0.831 -3.661 10.584 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.179 -2.348 9.576 1.00 0.00 H new ATOM 0 HD13 ILE A 107 0.890 -3.657 10.132 1.00 0.00 H new ATOM 1690 N ILE A 108 2.694 1.578 11.520 1.00 0.00 N ATOM 1691 CA ILE A 108 3.771 2.531 11.264 1.00 0.00 C ATOM 1692 C ILE A 108 4.080 3.284 12.534 1.00 0.00 C ATOM 1693 O ILE A 108 5.185 3.219 13.075 1.00 0.00 O ATOM 1694 CB ILE A 108 3.407 3.562 10.176 1.00 0.00 C ATOM 1695 CG1 ILE A 108 2.596 2.924 9.052 1.00 0.00 C ATOM 1696 CG2 ILE A 108 4.666 4.208 9.623 1.00 0.00 C ATOM 1697 CD1 ILE A 108 1.659 3.899 8.374 1.00 0.00 C ATOM 0 H ILE A 108 1.863 1.709 10.943 1.00 0.00 H new ATOM 0 HA ILE A 108 4.629 1.956 10.916 1.00 0.00 H new ATOM 0 HB ILE A 108 2.787 4.331 10.636 1.00 0.00 H new ATOM 0 HG12 ILE A 108 3.278 2.508 8.310 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.017 2.093 9.455 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.396 4.934 8.856 1.00 0.00 H new ATOM 0 HG22 ILE A 108 5.200 4.713 10.428 1.00 0.00 H new ATOM 0 HG23 ILE A 108 5.307 3.442 9.188 1.00 0.00 H new ATOM 0 HD11 ILE A 108 1.110 3.387 7.584 1.00 0.00 H new ATOM 0 HD12 ILE A 108 0.956 4.296 9.106 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.235 4.718 7.943 1.00 0.00 H new ATOM 1709 N SER A 109 3.071 3.987 13.009 1.00 0.00 N ATOM 1710 CA SER A 109 3.179 4.762 14.237 1.00 0.00 C ATOM 1711 C SER A 109 3.745 3.902 15.361 1.00 0.00 C ATOM 1712 O SER A 109 4.406 4.402 16.272 1.00 0.00 O ATOM 1713 CB SER A 109 1.814 5.322 14.641 1.00 0.00 C ATOM 1714 OG SER A 109 1.946 6.325 15.632 1.00 0.00 O ATOM 0 H SER A 109 2.156 4.040 12.560 1.00 0.00 H new ATOM 0 HA SER A 109 3.858 5.595 14.057 1.00 0.00 H new ATOM 0 HB2 SER A 109 1.314 5.736 13.765 1.00 0.00 H new ATOM 0 HB3 SER A 109 1.184 4.516 15.017 1.00 0.00 H new ATOM 0 HG SER A 109 1.059 6.667 15.871 1.00 0.00 H new ATOM 1720 N ARG A 110 3.490 2.600 15.280 1.00 0.00 N ATOM 1721 CA ARG A 110 3.980 1.660 16.275 1.00 0.00 C ATOM 1722 C ARG A 110 5.497 1.585 16.211 1.00 0.00 C ATOM 1723 O ARG A 110 6.188 1.688 17.225 1.00 0.00 O ATOM 1724 CB ARG A 110 3.354 0.281 16.033 1.00 0.00 C ATOM 1725 CG ARG A 110 4.356 -0.857 15.929 1.00 0.00 C ATOM 1726 CD ARG A 110 3.665 -2.210 15.889 1.00 0.00 C ATOM 1727 NE ARG A 110 4.621 -3.313 15.876 1.00 0.00 N ATOM 1728 CZ ARG A 110 5.258 -3.755 16.958 1.00 0.00 C ATOM 1729 NH1 ARG A 110 5.043 -3.191 18.140 1.00 0.00 N ATOM 1730 NH2 ARG A 110 6.113 -4.764 16.858 1.00 0.00 N ATOM 0 H ARG A 110 2.944 2.173 14.531 1.00 0.00 H new ATOM 0 HA ARG A 110 3.695 2.000 17.271 1.00 0.00 H new ATOM 0 HB2 ARG A 110 2.660 0.064 16.845 1.00 0.00 H new ATOM 0 HB3 ARG A 110 2.769 0.318 15.114 1.00 0.00 H new ATOM 0 HG2 ARG A 110 4.960 -0.730 15.031 1.00 0.00 H new ATOM 0 HG3 ARG A 110 5.038 -0.821 16.779 1.00 0.00 H new ATOM 0 HD2 ARG A 110 3.010 -2.308 16.755 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.033 -2.268 15.003 1.00 0.00 H new ATOM 0 HE ARG A 110 4.812 -3.772 14.985 1.00 0.00 H new ATOM 0 HH11 ARG A 110 4.387 -2.415 18.223 1.00 0.00 H new ATOM 0 HH12 ARG A 110 5.534 -3.534 18.966 1.00 0.00 H new ATOM 0 HH21 ARG A 110 6.282 -5.201 15.952 1.00 0.00 H new ATOM 0 HH22 ARG A 110 6.601 -5.103 17.687 1.00 0.00 H new ATOM 1744 N TYR A 111 5.998 1.415 15.001 1.00 0.00 N ATOM 1745 CA TYR A 111 7.431 1.335 14.767 1.00 0.00 C ATOM 1746 C TYR A 111 8.060 2.719 14.863 1.00 0.00 C ATOM 1747 O TYR A 111 9.226 2.860 15.230 1.00 0.00 O ATOM 1748 CB TYR A 111 7.714 0.722 13.394 1.00 0.00 C ATOM 1749 CG TYR A 111 7.257 -0.714 13.270 1.00 0.00 C ATOM 1750 CD1 TYR A 111 7.696 -1.683 14.164 1.00 0.00 C ATOM 1751 CD2 TYR A 111 6.385 -1.101 12.260 1.00 0.00 C ATOM 1752 CE1 TYR A 111 7.280 -2.995 14.056 1.00 0.00 C ATOM 1753 CE2 TYR A 111 5.965 -2.412 12.144 1.00 0.00 C ATOM 1754 CZ TYR A 111 6.414 -3.354 13.045 1.00 0.00 C ATOM 1755 OH TYR A 111 5.997 -4.662 12.933 1.00 0.00 O ATOM 0 H TYR A 111 5.430 1.329 14.158 1.00 0.00 H new ATOM 0 HA TYR A 111 7.871 0.695 15.532 1.00 0.00 H new ATOM 0 HB2 TYR A 111 7.219 1.320 12.629 1.00 0.00 H new ATOM 0 HB3 TYR A 111 8.785 0.773 13.196 1.00 0.00 H new ATOM 0 HD1 TYR A 111 8.374 -1.405 14.957 1.00 0.00 H new ATOM 0 HD2 TYR A 111 6.030 -0.365 11.554 1.00 0.00 H new ATOM 0 HE1 TYR A 111 7.631 -3.736 14.759 1.00 0.00 H new ATOM 0 HE2 TYR A 111 5.289 -2.697 11.352 1.00 0.00 H new ATOM 0 HH TYR A 111 5.980 -5.077 13.821 1.00 0.00 H new ATOM 1765 N LYS A 112 7.272 3.738 14.536 1.00 0.00 N ATOM 1766 CA LYS A 112 7.743 5.114 14.591 1.00 0.00 C ATOM 1767 C LYS A 112 8.087 5.508 16.023 1.00 0.00 C ATOM 1768 O LYS A 112 9.150 6.070 16.287 1.00 0.00 O ATOM 1769 CB LYS A 112 6.680 6.060 14.033 1.00 0.00 C ATOM 1770 CG LYS A 112 6.424 5.875 12.547 1.00 0.00 C ATOM 1771 CD LYS A 112 6.327 7.211 11.832 1.00 0.00 C ATOM 1772 CE LYS A 112 5.442 7.121 10.599 1.00 0.00 C ATOM 1773 NZ LYS A 112 6.204 6.678 9.399 1.00 0.00 N ATOM 0 H LYS A 112 6.304 3.635 14.230 1.00 0.00 H new ATOM 0 HA LYS A 112 8.644 5.191 13.982 1.00 0.00 H new ATOM 0 HB2 LYS A 112 5.747 5.907 14.576 1.00 0.00 H new ATOM 0 HB3 LYS A 112 6.989 7.089 14.215 1.00 0.00 H new ATOM 0 HG2 LYS A 112 7.228 5.283 12.109 1.00 0.00 H new ATOM 0 HG3 LYS A 112 5.500 5.315 12.402 1.00 0.00 H new ATOM 0 HD2 LYS A 112 5.927 7.961 12.514 1.00 0.00 H new ATOM 0 HD3 LYS A 112 7.324 7.543 11.542 1.00 0.00 H new ATOM 0 HE2 LYS A 112 4.626 6.424 10.788 1.00 0.00 H new ATOM 0 HE3 LYS A 112 4.991 8.094 10.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 5.546 6.515 8.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 6.889 7.413 9.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 6.710 5.795 9.615 1.00 0.00 H new