USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 685 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 81 GLN : amide:sc= 0.0218 K(o=0.66,f=-0.26) USER MOD Set 1.2: A 84 GLN : amide:sc= 0.641 K(o=0.66,f=-1.3) USER MOD Single : A 1 SER N :NH3+ -117:sc= 0.0826 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 HIS : no HE2:sc= 0.379 K(o=0.38,f=-3!) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 171:sc=-0.00885 (180deg=-0.144) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 180:sc= -0.0106 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 171:sc=-0.00619 (180deg=-0.136) USER MOD Single : A 15 GLN : amide:sc= -0.927 X(o=-0.93,f=-0.99) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0267 USER MOD Single : A 20 THR OG1 : rot -40:sc= 0.107 USER MOD Single : A 24 LYS NZ :NH3+ 164:sc= 1.22 (180deg=0.953) USER MOD Single : A 28 ASN : amide:sc= 0.259 K(o=0.26,f=-4.5!) USER MOD Single : A 33 LYS NZ :NH3+ 168:sc= 1.05 (180deg=0.948) USER MOD Single : A 34 LYS NZ :NH3+ 159:sc= 0.912 (180deg=0.619) USER MOD Single : A 35 HIS : no HD1:sc= -0.0191 X(o=-0.019,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.0153 K(o=-0.015,f=-0.8) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 42 CYS SG : rot 130:sc= -0.73 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : +bothHN:sc= 1.98 K(o=2,f=-6.1!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 52 SER OG : rot 137:sc= 0.282 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.315 X(o=-0.32,f=-0.1) USER MOD Single : A 65 ASN : amide:sc= -0.31 K(o=-0.31,f=-3.6!) USER MOD Single : A 66 LYS NZ :NH3+ -136:sc= 1.25 (180deg=0.489) USER MOD Single : A 68 GLN : amide:sc=-0.000725 K(o=-0.00072,f=-1.2) USER MOD Single : A 69 CYS SG : rot 180:sc= -0.559 USER MOD Single : A 70 GLN : amide:sc= -0.266 K(o=-0.27,f=-1.8) USER MOD Single : A 74 ASN : amide:sc= 0.742 K(o=0.74,f=0) USER MOD Single : A 77 MET CE :methyl -155:sc=-0.00566 (180deg=-0.204) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -124:sc= -0.0317 (180deg=-1.03) USER MOD Single : A 82 SER OG : rot 72:sc= 0.17 USER MOD Single : A 83 HIS : no HE2:sc= 0.91 K(o=0.91,f=-3.1!) USER MOD Single : A 86 LYS NZ :NH3+ 168:sc= -0.0116 (180deg=-0.211) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 21.678 4.782 -10.049 1.00 0.00 N ATOM 2 CA SER A 1 22.071 4.874 -11.464 1.00 0.00 C ATOM 3 C SER A 1 21.416 3.774 -12.290 1.00 0.00 C ATOM 4 O SER A 1 20.952 2.777 -11.741 1.00 0.00 O ATOM 5 CB SER A 1 23.587 4.812 -11.612 1.00 0.00 C ATOM 6 OG SER A 1 24.158 5.921 -10.958 1.00 0.00 O ATOM 0 H1 SER A 1 21.154 5.639 -9.778 1.00 0.00 H new ATOM 0 H2 SER A 1 21.073 3.948 -9.910 1.00 0.00 H new ATOM 0 H3 SER A 1 22.529 4.695 -9.457 1.00 0.00 H new ATOM 0 HA SER A 1 21.724 5.836 -11.840 1.00 0.00 H new ATOM 0 HB2 SER A 1 23.969 3.885 -11.184 1.00 0.00 H new ATOM 0 HB3 SER A 1 23.863 4.814 -12.667 1.00 0.00 H new ATOM 0 HG SER A 1 25.133 5.887 -11.047 1.00 0.00 H new ATOM 12 N GLY A 2 21.378 3.953 -13.612 1.00 0.00 N ATOM 13 CA GLY A 2 20.767 2.999 -14.526 1.00 0.00 C ATOM 14 C GLY A 2 19.251 3.174 -14.589 1.00 0.00 C ATOM 15 O GLY A 2 18.643 3.763 -13.691 1.00 0.00 O ATOM 0 H GLY A 2 21.774 4.770 -14.076 1.00 0.00 H new ATOM 0 HA2 GLY A 2 21.190 3.126 -15.522 1.00 0.00 H new ATOM 0 HA3 GLY A 2 21.004 1.984 -14.206 1.00 0.00 H new ATOM 19 N SER A 3 18.634 2.663 -15.657 1.00 0.00 N ATOM 20 CA SER A 3 17.199 2.783 -15.875 1.00 0.00 C ATOM 21 C SER A 3 16.413 1.929 -14.885 1.00 0.00 C ATOM 22 O SER A 3 16.902 0.901 -14.418 1.00 0.00 O ATOM 23 CB SER A 3 16.872 2.388 -17.315 1.00 0.00 C ATOM 24 OG SER A 3 15.480 2.480 -17.534 1.00 0.00 O ATOM 0 H SER A 3 19.121 2.154 -16.394 1.00 0.00 H new ATOM 0 HA SER A 3 16.904 3.819 -15.710 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.402 3.040 -18.009 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.213 1.371 -17.509 1.00 0.00 H new ATOM 0 HG SER A 3 15.277 2.227 -18.459 1.00 0.00 H new ATOM 30 N HIS A 4 15.191 2.364 -14.566 1.00 0.00 N ATOM 31 CA HIS A 4 14.286 1.667 -13.658 1.00 0.00 C ATOM 32 C HIS A 4 12.847 1.764 -14.162 1.00 0.00 C ATOM 33 O HIS A 4 12.505 2.675 -14.914 1.00 0.00 O ATOM 34 CB HIS A 4 14.404 2.238 -12.238 1.00 0.00 C ATOM 35 CG HIS A 4 15.683 1.885 -11.525 1.00 0.00 C ATOM 36 ND1 HIS A 4 16.957 2.335 -11.832 1.00 0.00 N ATOM 37 CD2 HIS A 4 15.783 1.083 -10.424 1.00 0.00 C ATOM 38 CE1 HIS A 4 17.813 1.798 -10.943 1.00 0.00 C ATOM 39 NE2 HIS A 4 17.120 1.034 -10.077 1.00 0.00 N ATOM 0 H HIS A 4 14.799 3.228 -14.941 1.00 0.00 H new ATOM 0 HA HIS A 4 14.568 0.615 -13.627 1.00 0.00 H new ATOM 0 HB2 HIS A 4 14.319 3.324 -12.289 1.00 0.00 H new ATOM 0 HB3 HIS A 4 13.562 1.880 -11.645 1.00 0.00 H new ATOM 0 HD1 HIS A 4 17.203 2.963 -12.597 1.00 0.00 H new ATOM 0 HD2 HIS A 4 14.970 0.582 -9.920 1.00 0.00 H new ATOM 0 HE1 HIS A 4 18.882 1.954 -10.927 1.00 0.00 H new ATOM 48 N MET A 5 12.000 0.819 -13.739 1.00 0.00 N ATOM 49 CA MET A 5 10.597 0.786 -14.136 1.00 0.00 C ATOM 50 C MET A 5 9.793 1.882 -13.431 1.00 0.00 C ATOM 51 O MET A 5 8.741 2.288 -13.920 1.00 0.00 O ATOM 52 CB MET A 5 10.040 -0.605 -13.826 1.00 0.00 C ATOM 53 CG MET A 5 8.554 -0.716 -14.167 1.00 0.00 C ATOM 54 SD MET A 5 7.893 -2.390 -13.972 1.00 0.00 S ATOM 55 CE MET A 5 6.184 -2.078 -14.488 1.00 0.00 C ATOM 0 H MET A 5 12.271 0.060 -13.114 1.00 0.00 H new ATOM 0 HA MET A 5 10.514 0.981 -15.205 1.00 0.00 H new ATOM 0 HB2 MET A 5 10.598 -1.353 -14.389 1.00 0.00 H new ATOM 0 HB3 MET A 5 10.187 -0.827 -12.769 1.00 0.00 H new ATOM 0 HG2 MET A 5 7.991 -0.035 -13.529 1.00 0.00 H new ATOM 0 HG3 MET A 5 8.400 -0.390 -15.196 1.00 0.00 H new ATOM 0 HE1 MET A 5 5.613 -3.005 -14.434 1.00 0.00 H new ATOM 0 HE2 MET A 5 5.735 -1.336 -13.829 1.00 0.00 H new ATOM 0 HE3 MET A 5 6.175 -1.706 -15.512 1.00 0.00 H new ATOM 65 N LYS A 6 10.290 2.359 -12.285 1.00 0.00 N ATOM 66 CA LYS A 6 9.639 3.415 -11.525 1.00 0.00 C ATOM 67 C LYS A 6 9.821 4.767 -12.209 1.00 0.00 C ATOM 68 O LYS A 6 10.735 4.953 -13.011 1.00 0.00 O ATOM 69 CB LYS A 6 10.188 3.455 -10.100 1.00 0.00 C ATOM 70 CG LYS A 6 9.907 2.141 -9.365 1.00 0.00 C ATOM 71 CD LYS A 6 10.432 2.235 -7.932 1.00 0.00 C ATOM 72 CE LYS A 6 10.097 0.975 -7.134 1.00 0.00 C ATOM 73 NZ LYS A 6 10.725 -0.224 -7.720 1.00 0.00 N ATOM 0 H LYS A 6 11.155 2.020 -11.864 1.00 0.00 H new ATOM 0 HA LYS A 6 8.571 3.200 -11.481 1.00 0.00 H new ATOM 0 HB2 LYS A 6 11.262 3.639 -10.126 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.736 4.284 -9.556 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.836 1.938 -9.359 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.386 1.311 -9.885 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.512 2.382 -7.947 1.00 0.00 H new ATOM 0 HD3 LYS A 6 9.998 3.106 -7.440 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.434 1.096 -6.104 1.00 0.00 H new ATOM 0 HE3 LYS A 6 9.016 0.841 -7.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 10.605 -1.030 -7.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.275 -0.441 -8.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.739 -0.047 -7.868 1.00 0.00 H new ATOM 87 N THR A 7 8.937 5.710 -11.879 1.00 0.00 N ATOM 88 CA THR A 7 8.974 7.061 -12.417 1.00 0.00 C ATOM 89 C THR A 7 10.166 7.904 -11.971 1.00 0.00 C ATOM 90 O THR A 7 10.835 7.577 -10.990 1.00 0.00 O ATOM 91 CB THR A 7 7.644 7.803 -12.227 1.00 0.00 C ATOM 92 OG1 THR A 7 7.674 8.512 -11.006 1.00 0.00 O ATOM 93 CG2 THR A 7 6.435 6.871 -12.216 1.00 0.00 C ATOM 0 H THR A 7 8.171 5.551 -11.225 1.00 0.00 H new ATOM 0 HA THR A 7 9.125 6.915 -13.487 1.00 0.00 H new ATOM 0 HB THR A 7 7.535 8.476 -13.077 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.826 8.988 -10.883 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.526 7.456 -12.078 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.381 6.334 -13.163 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.534 6.156 -11.399 1.00 0.00 H new ATOM 101 N CYS A 8 10.421 8.992 -12.702 1.00 0.00 N ATOM 102 CA CYS A 8 11.478 9.945 -12.388 1.00 0.00 C ATOM 103 C CYS A 8 10.931 11.374 -12.355 1.00 0.00 C ATOM 104 O CYS A 8 11.702 12.325 -12.221 1.00 0.00 O ATOM 105 CB CYS A 8 12.622 9.805 -13.394 1.00 0.00 C ATOM 106 SG CYS A 8 13.392 8.173 -13.230 1.00 0.00 S ATOM 0 H CYS A 8 9.890 9.235 -13.538 1.00 0.00 H new ATOM 0 HA CYS A 8 11.869 9.725 -11.394 1.00 0.00 H new ATOM 0 HB2 CYS A 8 12.245 9.938 -14.408 1.00 0.00 H new ATOM 0 HB3 CYS A 8 13.364 10.585 -13.225 1.00 0.00 H new ATOM 0 HG CYS A 8 14.361 8.062 -14.090 1.00 0.00 H new ATOM 112 N VAL A 9 9.607 11.529 -12.474 1.00 0.00 N ATOM 113 CA VAL A 9 8.956 12.833 -12.451 1.00 0.00 C ATOM 114 C VAL A 9 8.963 13.449 -11.052 1.00 0.00 C ATOM 115 O VAL A 9 8.940 12.732 -10.053 1.00 0.00 O ATOM 116 CB VAL A 9 7.547 12.721 -13.053 1.00 0.00 C ATOM 117 CG1 VAL A 9 6.596 11.979 -12.115 1.00 0.00 C ATOM 118 CG2 VAL A 9 6.971 14.107 -13.338 1.00 0.00 C ATOM 0 H VAL A 9 8.960 10.749 -12.589 1.00 0.00 H new ATOM 0 HA VAL A 9 9.526 13.524 -13.072 1.00 0.00 H new ATOM 0 HB VAL A 9 7.640 12.160 -13.983 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.608 11.918 -12.572 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.975 10.973 -11.934 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.525 12.516 -11.169 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.973 14.006 -13.764 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.913 14.675 -12.409 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.615 14.631 -14.044 1.00 0.00 H new ATOM 128 N VAL A 10 8.995 14.783 -10.988 1.00 0.00 N ATOM 129 CA VAL A 10 9.005 15.536 -9.736 1.00 0.00 C ATOM 130 C VAL A 10 8.214 16.829 -9.891 1.00 0.00 C ATOM 131 O VAL A 10 8.043 17.333 -11.000 1.00 0.00 O ATOM 132 CB VAL A 10 10.442 15.837 -9.286 1.00 0.00 C ATOM 133 CG1 VAL A 10 11.273 14.559 -9.137 1.00 0.00 C ATOM 134 CG2 VAL A 10 11.146 16.775 -10.270 1.00 0.00 C ATOM 0 H VAL A 10 9.015 15.376 -11.817 1.00 0.00 H new ATOM 0 HA VAL A 10 8.532 14.925 -8.967 1.00 0.00 H new ATOM 0 HB VAL A 10 10.365 16.322 -8.313 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.283 14.817 -8.817 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.811 13.910 -8.393 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.317 14.040 -10.094 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.161 16.969 -9.924 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.181 16.309 -11.255 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.598 17.715 -10.332 1.00 0.00 H new ATOM 144 N GLU A 11 7.735 17.365 -8.768 1.00 0.00 N ATOM 145 CA GLU A 11 7.013 18.627 -8.736 1.00 0.00 C ATOM 146 C GLU A 11 7.986 19.801 -8.710 1.00 0.00 C ATOM 147 O GLU A 11 9.146 19.643 -8.327 1.00 0.00 O ATOM 148 CB GLU A 11 6.092 18.675 -7.516 1.00 0.00 C ATOM 149 CG GLU A 11 4.954 17.663 -7.653 1.00 0.00 C ATOM 150 CD GLU A 11 3.959 18.035 -8.751 1.00 0.00 C ATOM 151 OE1 GLU A 11 3.131 17.161 -9.096 1.00 0.00 O ATOM 152 OE2 GLU A 11 4.023 19.187 -9.236 1.00 0.00 O ATOM 0 H GLU A 11 7.840 16.929 -7.852 1.00 0.00 H new ATOM 0 HA GLU A 11 6.407 18.703 -9.639 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.666 18.464 -6.614 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.681 19.678 -7.405 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.372 16.679 -7.866 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.427 17.585 -6.702 1.00 0.00 H new ATOM 159 N LYS A 12 7.511 20.982 -9.116 1.00 0.00 N ATOM 160 CA LYS A 12 8.322 22.190 -9.151 1.00 0.00 C ATOM 161 C LYS A 12 7.508 23.434 -8.824 1.00 0.00 C ATOM 162 O LYS A 12 6.313 23.504 -9.115 1.00 0.00 O ATOM 163 CB LYS A 12 9.006 22.349 -10.512 1.00 0.00 C ATOM 164 CG LYS A 12 10.373 21.665 -10.519 1.00 0.00 C ATOM 165 CD LYS A 12 11.088 21.918 -11.843 1.00 0.00 C ATOM 166 CE LYS A 12 12.512 21.376 -11.758 1.00 0.00 C ATOM 167 NZ LYS A 12 13.238 21.594 -13.022 1.00 0.00 N ATOM 0 H LYS A 12 6.550 21.122 -9.429 1.00 0.00 H new ATOM 0 HA LYS A 12 9.086 22.082 -8.381 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.377 21.921 -11.292 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.124 23.408 -10.743 1.00 0.00 H new ATOM 0 HG2 LYS A 12 10.979 22.040 -9.694 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.251 20.593 -10.363 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.550 21.434 -12.658 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.105 22.986 -12.062 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.043 21.865 -10.941 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.486 20.311 -11.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.203 21.216 -12.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.742 21.107 -13.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.281 22.613 -13.226 1.00 0.00 H new ATOM 181 N ILE A 13 8.182 24.413 -8.217 1.00 0.00 N ATOM 182 CA ILE A 13 7.625 25.717 -7.881 1.00 0.00 C ATOM 183 C ILE A 13 8.715 26.771 -8.067 1.00 0.00 C ATOM 184 O ILE A 13 9.896 26.476 -7.894 1.00 0.00 O ATOM 185 CB ILE A 13 7.080 25.711 -6.442 1.00 0.00 C ATOM 186 CG1 ILE A 13 5.786 24.887 -6.368 1.00 0.00 C ATOM 187 CG2 ILE A 13 6.816 27.138 -5.943 1.00 0.00 C ATOM 188 CD1 ILE A 13 5.186 24.884 -4.958 1.00 0.00 C ATOM 0 H ILE A 13 9.158 24.314 -7.939 1.00 0.00 H new ATOM 0 HA ILE A 13 6.788 25.953 -8.539 1.00 0.00 H new ATOM 0 HB ILE A 13 7.835 25.257 -5.800 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.058 25.292 -7.071 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.991 23.862 -6.677 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.432 27.102 -4.924 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.745 27.707 -5.960 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.083 27.620 -6.590 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.272 24.289 -4.953 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.903 24.454 -4.258 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.955 25.906 -4.659 1.00 0.00 H new ATOM 200 N LYS A 14 8.317 28.000 -8.412 1.00 0.00 N ATOM 201 CA LYS A 14 9.233 29.123 -8.550 1.00 0.00 C ATOM 202 C LYS A 14 8.564 30.397 -8.043 1.00 0.00 C ATOM 203 O LYS A 14 7.394 30.637 -8.334 1.00 0.00 O ATOM 204 CB LYS A 14 9.687 29.257 -10.008 1.00 0.00 C ATOM 205 CG LYS A 14 10.552 30.507 -10.203 1.00 0.00 C ATOM 206 CD LYS A 14 11.082 30.611 -11.635 1.00 0.00 C ATOM 207 CE LYS A 14 9.959 30.691 -12.669 1.00 0.00 C ATOM 208 NZ LYS A 14 9.085 31.859 -12.438 1.00 0.00 N ATOM 0 H LYS A 14 7.344 28.239 -8.603 1.00 0.00 H new ATOM 0 HA LYS A 14 10.123 28.949 -7.945 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.251 28.371 -10.299 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.815 29.309 -10.660 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.966 31.395 -9.966 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.390 30.482 -9.506 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.715 31.494 -11.722 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.710 29.746 -11.851 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.389 30.750 -13.669 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.364 29.778 -12.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.432 31.968 -13.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.539 31.717 -11.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.667 32.716 -12.347 1.00 0.00 H new ATOM 222 N GLN A 15 9.307 31.210 -7.292 1.00 0.00 N ATOM 223 CA GLN A 15 8.798 32.463 -6.763 1.00 0.00 C ATOM 224 C GLN A 15 9.946 33.418 -6.430 1.00 0.00 C ATOM 225 O GLN A 15 11.039 32.988 -6.077 1.00 0.00 O ATOM 226 CB GLN A 15 7.921 32.175 -5.538 1.00 0.00 C ATOM 227 CG GLN A 15 7.436 33.461 -4.862 1.00 0.00 C ATOM 228 CD GLN A 15 6.675 34.360 -5.828 1.00 0.00 C ATOM 229 OE1 GLN A 15 5.906 33.886 -6.660 1.00 0.00 O ATOM 230 NE2 GLN A 15 6.881 35.668 -5.721 1.00 0.00 N ATOM 0 H GLN A 15 10.275 31.014 -7.037 1.00 0.00 H new ATOM 0 HA GLN A 15 8.186 32.957 -7.518 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.061 31.578 -5.841 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.485 31.579 -4.821 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.793 33.208 -4.019 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.291 34.004 -4.459 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.527 36.027 -5.018 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.393 36.314 -6.342 1.00 0.00 H new ATOM 239 N TRP A 16 9.681 34.720 -6.545 1.00 0.00 N ATOM 240 CA TRP A 16 10.641 35.771 -6.260 1.00 0.00 C ATOM 241 C TRP A 16 10.572 36.195 -4.796 1.00 0.00 C ATOM 242 O TRP A 16 9.505 36.162 -4.181 1.00 0.00 O ATOM 243 CB TRP A 16 10.333 36.967 -7.165 1.00 0.00 C ATOM 244 CG TRP A 16 10.358 36.673 -8.627 1.00 0.00 C ATOM 245 CD1 TRP A 16 9.364 36.078 -9.326 1.00 0.00 C ATOM 246 CD2 TRP A 16 11.437 36.892 -9.588 1.00 0.00 C ATOM 247 NE1 TRP A 16 9.747 35.922 -10.641 1.00 0.00 N ATOM 248 CE2 TRP A 16 11.017 36.411 -10.862 1.00 0.00 C ATOM 249 CE3 TRP A 16 12.720 37.471 -9.517 1.00 0.00 C ATOM 250 CZ2 TRP A 16 11.832 36.486 -12.000 1.00 0.00 C ATOM 251 CZ3 TRP A 16 13.535 37.566 -10.655 1.00 0.00 C ATOM 252 CH2 TRP A 16 13.098 37.076 -11.893 1.00 0.00 C ATOM 0 H TRP A 16 8.773 35.074 -6.845 1.00 0.00 H new ATOM 0 HA TRP A 16 11.648 35.399 -6.451 1.00 0.00 H new ATOM 0 HB2 TRP A 16 9.349 37.357 -6.905 1.00 0.00 H new ATOM 0 HB3 TRP A 16 11.054 37.757 -6.956 1.00 0.00 H new ATOM 0 HD1 TRP A 16 8.413 35.771 -8.915 1.00 0.00 H new ATOM 0 HE1 TRP A 16 9.163 35.497 -11.361 1.00 0.00 H new ATOM 0 HE3 TRP A 16 13.082 37.848 -8.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 11.489 36.094 -12.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 14.511 38.022 -10.576 1.00 0.00 H new ATOM 0 HH2 TRP A 16 13.735 37.153 -12.762 1.00 0.00 H new ATOM 263 N ILE A 17 11.719 36.598 -4.246 1.00 0.00 N ATOM 264 CA ILE A 17 11.818 37.177 -2.910 1.00 0.00 C ATOM 265 C ILE A 17 12.739 38.393 -3.029 1.00 0.00 C ATOM 266 O ILE A 17 13.658 38.387 -3.848 1.00 0.00 O ATOM 267 CB ILE A 17 12.338 36.152 -1.887 1.00 0.00 C ATOM 268 CG1 ILE A 17 13.873 36.084 -1.875 1.00 0.00 C ATOM 269 CG2 ILE A 17 11.716 34.769 -2.104 1.00 0.00 C ATOM 270 CD1 ILE A 17 14.380 35.064 -0.855 1.00 0.00 C ATOM 0 H ILE A 17 12.617 36.529 -4.725 1.00 0.00 H new ATOM 0 HA ILE A 17 10.838 37.478 -2.541 1.00 0.00 H new ATOM 0 HB ILE A 17 12.024 36.498 -0.902 1.00 0.00 H new ATOM 0 HG12 ILE A 17 14.234 35.818 -2.868 1.00 0.00 H new ATOM 0 HG13 ILE A 17 14.280 37.068 -1.641 1.00 0.00 H new ATOM 0 HG21 ILE A 17 12.108 34.073 -1.362 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.633 34.837 -2.001 1.00 0.00 H new ATOM 0 HG23 ILE A 17 11.964 34.411 -3.103 1.00 0.00 H new ATOM 0 HD11 ILE A 17 15.470 35.042 -0.873 1.00 0.00 H new ATOM 0 HD12 ILE A 17 14.039 35.346 0.141 1.00 0.00 H new ATOM 0 HD13 ILE A 17 13.993 34.076 -1.105 1.00 0.00 H new ATOM 282 N PRO A 18 12.517 39.441 -2.228 1.00 0.00 N ATOM 283 CA PRO A 18 13.322 40.651 -2.262 1.00 0.00 C ATOM 284 C PRO A 18 14.755 40.330 -1.849 1.00 0.00 C ATOM 285 O PRO A 18 14.983 39.520 -0.949 1.00 0.00 O ATOM 286 CB PRO A 18 12.649 41.613 -1.287 1.00 0.00 C ATOM 287 CG PRO A 18 11.928 40.681 -0.315 1.00 0.00 C ATOM 288 CD PRO A 18 11.483 39.537 -1.220 1.00 0.00 C ATOM 0 HA PRO A 18 13.381 41.091 -3.257 1.00 0.00 H new ATOM 0 HB2 PRO A 18 13.377 42.242 -0.775 1.00 0.00 H new ATOM 0 HB3 PRO A 18 11.953 42.280 -1.796 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.588 40.335 0.480 1.00 0.00 H new ATOM 0 HG3 PRO A 18 11.081 41.172 0.164 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.386 38.606 -0.662 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.511 39.742 -1.668 1.00 0.00 H new ATOM 296 N THR A 19 15.730 40.970 -2.501 1.00 0.00 N ATOM 297 CA THR A 19 17.138 40.706 -2.233 1.00 0.00 C ATOM 298 C THR A 19 17.604 40.974 -0.805 1.00 0.00 C ATOM 299 O THR A 19 18.661 40.499 -0.392 1.00 0.00 O ATOM 300 CB THR A 19 18.052 41.327 -3.293 1.00 0.00 C ATOM 301 OG1 THR A 19 17.366 41.453 -4.522 1.00 0.00 O ATOM 302 CG2 THR A 19 19.310 40.485 -3.503 1.00 0.00 C ATOM 0 H THR A 19 15.565 41.675 -3.219 1.00 0.00 H new ATOM 0 HA THR A 19 17.229 39.623 -2.318 1.00 0.00 H new ATOM 0 HB THR A 19 18.347 42.313 -2.935 1.00 0.00 H new ATOM 0 HG1 THR A 19 17.962 41.853 -5.190 1.00 0.00 H new ATOM 0 HG21 THR A 19 19.938 40.952 -4.261 1.00 0.00 H new ATOM 0 HG22 THR A 19 19.863 40.416 -2.566 1.00 0.00 H new ATOM 0 HG23 THR A 19 19.028 39.485 -3.832 1.00 0.00 H new ATOM 310 N THR A 20 16.813 41.739 -0.047 1.00 0.00 N ATOM 311 CA THR A 20 17.104 42.011 1.354 1.00 0.00 C ATOM 312 C THR A 20 16.783 40.846 2.292 1.00 0.00 C ATOM 313 O THR A 20 17.203 40.848 3.448 1.00 0.00 O ATOM 314 CB THR A 20 16.460 43.331 1.793 1.00 0.00 C ATOM 315 OG1 THR A 20 17.119 43.816 2.941 1.00 0.00 O ATOM 316 CG2 THR A 20 14.983 43.142 2.133 1.00 0.00 C ATOM 0 H THR A 20 15.960 42.182 -0.389 1.00 0.00 H new ATOM 0 HA THR A 20 18.185 42.125 1.435 1.00 0.00 H new ATOM 0 HB THR A 20 16.547 44.036 0.967 1.00 0.00 H new ATOM 0 HG1 THR A 20 17.323 43.069 3.541 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.555 44.096 2.441 1.00 0.00 H new ATOM 0 HG22 THR A 20 14.452 42.772 1.256 1.00 0.00 H new ATOM 0 HG23 THR A 20 14.886 42.422 2.946 1.00 0.00 H new ATOM 324 N GLU A 21 16.042 39.848 1.797 1.00 0.00 N ATOM 325 CA GLU A 21 15.676 38.672 2.580 1.00 0.00 C ATOM 326 C GLU A 21 16.422 37.429 2.100 1.00 0.00 C ATOM 327 O GLU A 21 16.320 36.377 2.725 1.00 0.00 O ATOM 328 CB GLU A 21 14.164 38.445 2.513 1.00 0.00 C ATOM 329 CG GLU A 21 13.355 39.638 3.026 1.00 0.00 C ATOM 330 CD GLU A 21 13.595 39.950 4.505 1.00 0.00 C ATOM 331 OE1 GLU A 21 13.133 41.027 4.943 1.00 0.00 O ATOM 332 OE2 GLU A 21 14.232 39.121 5.191 1.00 0.00 O ATOM 0 H GLU A 21 15.682 39.837 0.843 1.00 0.00 H new ATOM 0 HA GLU A 21 15.964 38.853 3.616 1.00 0.00 H new ATOM 0 HB2 GLU A 21 13.879 38.237 1.482 1.00 0.00 H new ATOM 0 HB3 GLU A 21 13.909 37.562 3.099 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.604 40.518 2.433 1.00 0.00 H new ATOM 0 HG3 GLU A 21 12.294 39.440 2.872 1.00 0.00 H new ATOM 339 N VAL A 22 17.173 37.527 0.999 1.00 0.00 N ATOM 340 CA VAL A 22 17.959 36.399 0.507 1.00 0.00 C ATOM 341 C VAL A 22 19.038 36.063 1.537 1.00 0.00 C ATOM 342 O VAL A 22 19.502 34.927 1.608 1.00 0.00 O ATOM 343 CB VAL A 22 18.585 36.772 -0.841 1.00 0.00 C ATOM 344 CG1 VAL A 22 19.565 35.702 -1.326 1.00 0.00 C ATOM 345 CG2 VAL A 22 17.496 36.934 -1.902 1.00 0.00 C ATOM 0 H VAL A 22 17.251 38.374 0.436 1.00 0.00 H new ATOM 0 HA VAL A 22 17.326 35.524 0.363 1.00 0.00 H new ATOM 0 HB VAL A 22 19.123 37.709 -0.694 1.00 0.00 H new ATOM 0 HG11 VAL A 22 19.988 36.003 -2.285 1.00 0.00 H new ATOM 0 HG12 VAL A 22 20.367 35.585 -0.597 1.00 0.00 H new ATOM 0 HG13 VAL A 22 19.040 34.754 -1.443 1.00 0.00 H new ATOM 0 HG21 VAL A 22 17.953 37.199 -2.855 1.00 0.00 H new ATOM 0 HG22 VAL A 22 16.950 35.997 -2.009 1.00 0.00 H new ATOM 0 HG23 VAL A 22 16.807 37.722 -1.599 1.00 0.00 H new ATOM 355 N GLY A 23 19.434 37.055 2.340 1.00 0.00 N ATOM 356 CA GLY A 23 20.424 36.868 3.386 1.00 0.00 C ATOM 357 C GLY A 23 19.891 36.024 4.544 1.00 0.00 C ATOM 358 O GLY A 23 20.662 35.632 5.415 1.00 0.00 O ATOM 0 H GLY A 23 19.073 38.007 2.277 1.00 0.00 H new ATOM 0 HA2 GLY A 23 21.307 36.388 2.966 1.00 0.00 H new ATOM 0 HA3 GLY A 23 20.739 37.841 3.763 1.00 0.00 H new ATOM 362 N LYS A 24 18.586 35.743 4.569 1.00 0.00 N ATOM 363 CA LYS A 24 17.998 34.891 5.595 1.00 0.00 C ATOM 364 C LYS A 24 18.085 33.427 5.167 1.00 0.00 C ATOM 365 O LYS A 24 18.133 32.538 6.016 1.00 0.00 O ATOM 366 CB LYS A 24 16.532 35.284 5.811 1.00 0.00 C ATOM 367 CG LYS A 24 16.339 36.782 6.052 1.00 0.00 C ATOM 368 CD LYS A 24 17.107 37.261 7.290 1.00 0.00 C ATOM 369 CE LYS A 24 16.994 38.779 7.426 1.00 0.00 C ATOM 370 NZ LYS A 24 15.591 39.217 7.571 1.00 0.00 N ATOM 0 H LYS A 24 17.917 36.097 3.885 1.00 0.00 H new ATOM 0 HA LYS A 24 18.547 35.021 6.528 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.950 34.985 4.939 1.00 0.00 H new ATOM 0 HB3 LYS A 24 16.136 34.732 6.663 1.00 0.00 H new ATOM 0 HG2 LYS A 24 16.676 37.338 5.177 1.00 0.00 H new ATOM 0 HG3 LYS A 24 15.278 36.997 6.177 1.00 0.00 H new ATOM 0 HD2 LYS A 24 16.710 36.778 8.183 1.00 0.00 H new ATOM 0 HD3 LYS A 24 18.155 36.973 7.211 1.00 0.00 H new ATOM 0 HE2 LYS A 24 17.569 39.110 8.291 1.00 0.00 H new ATOM 0 HE3 LYS A 24 17.434 39.256 6.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 15.567 40.194 7.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 15.116 39.173 6.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 15.100 38.592 8.242 1.00 0.00 H new ATOM 384 N ILE A 25 18.107 33.174 3.855 1.00 0.00 N ATOM 385 CA ILE A 25 18.169 31.824 3.315 1.00 0.00 C ATOM 386 C ILE A 25 19.621 31.376 3.149 1.00 0.00 C ATOM 387 O ILE A 25 19.934 30.198 3.307 1.00 0.00 O ATOM 388 CB ILE A 25 17.439 31.786 1.963 1.00 0.00 C ATOM 389 CG1 ILE A 25 16.005 32.319 2.095 1.00 0.00 C ATOM 390 CG2 ILE A 25 17.433 30.360 1.413 1.00 0.00 C ATOM 391 CD1 ILE A 25 15.262 32.266 0.758 1.00 0.00 C ATOM 0 H ILE A 25 18.082 33.903 3.142 1.00 0.00 H new ATOM 0 HA ILE A 25 17.683 31.138 4.009 1.00 0.00 H new ATOM 0 HB ILE A 25 17.972 32.432 1.265 1.00 0.00 H new ATOM 0 HG12 ILE A 25 15.464 31.731 2.837 1.00 0.00 H new ATOM 0 HG13 ILE A 25 16.029 33.346 2.458 1.00 0.00 H new ATOM 0 HG21 ILE A 25 16.914 30.342 0.455 1.00 0.00 H new ATOM 0 HG22 ILE A 25 18.459 30.018 1.276 1.00 0.00 H new ATOM 0 HG23 ILE A 25 16.922 29.701 2.115 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.250 32.651 0.888 1.00 0.00 H new ATOM 0 HD12 ILE A 25 15.790 32.875 0.024 1.00 0.00 H new ATOM 0 HD13 ILE A 25 15.216 31.235 0.408 1.00 0.00 H new ATOM 403 N LEU A 26 20.510 32.318 2.825 1.00 0.00 N ATOM 404 CA LEU A 26 21.901 32.046 2.491 1.00 0.00 C ATOM 405 C LEU A 26 22.874 32.724 3.462 1.00 0.00 C ATOM 406 O LEU A 26 24.057 32.851 3.158 1.00 0.00 O ATOM 407 CB LEU A 26 22.180 32.493 1.050 1.00 0.00 C ATOM 408 CG LEU A 26 21.158 31.970 0.037 1.00 0.00 C ATOM 409 CD1 LEU A 26 21.511 32.538 -1.334 1.00 0.00 C ATOM 410 CD2 LEU A 26 21.200 30.446 -0.027 1.00 0.00 C ATOM 0 H LEU A 26 20.273 33.310 2.788 1.00 0.00 H new ATOM 0 HA LEU A 26 22.063 30.972 2.580 1.00 0.00 H new ATOM 0 HB2 LEU A 26 22.192 33.582 1.012 1.00 0.00 H new ATOM 0 HB3 LEU A 26 23.174 32.153 0.759 1.00 0.00 H new ATOM 0 HG LEU A 26 20.157 32.278 0.339 1.00 0.00 H new ATOM 0 HD11 LEU A 26 20.795 32.178 -2.072 1.00 0.00 H new ATOM 0 HD12 LEU A 26 21.477 33.627 -1.296 1.00 0.00 H new ATOM 0 HD13 LEU A 26 22.514 32.216 -1.614 1.00 0.00 H new ATOM 0 HD21 LEU A 26 20.467 30.092 -0.752 1.00 0.00 H new ATOM 0 HD22 LEU A 26 22.196 30.122 -0.330 1.00 0.00 H new ATOM 0 HD23 LEU A 26 20.967 30.034 0.955 1.00 0.00 H new ATOM 422 N GLY A 27 22.382 33.168 4.624 1.00 0.00 N ATOM 423 CA GLY A 27 23.175 33.947 5.565 1.00 0.00 C ATOM 424 C GLY A 27 24.340 33.176 6.191 1.00 0.00 C ATOM 425 O GLY A 27 25.256 33.794 6.731 1.00 0.00 O ATOM 0 H GLY A 27 21.425 32.995 4.932 1.00 0.00 H new ATOM 0 HA2 GLY A 27 23.568 34.825 5.052 1.00 0.00 H new ATOM 0 HA3 GLY A 27 22.523 34.308 6.361 1.00 0.00 H new ATOM 429 N ASN A 28 24.317 31.842 6.128 1.00 0.00 N ATOM 430 CA ASN A 28 25.390 31.015 6.662 1.00 0.00 C ATOM 431 C ASN A 28 25.377 29.637 6.011 1.00 0.00 C ATOM 432 O ASN A 28 24.608 28.769 6.424 1.00 0.00 O ATOM 433 CB ASN A 28 25.211 30.890 8.176 1.00 0.00 C ATOM 434 CG ASN A 28 26.249 29.970 8.803 1.00 0.00 C ATOM 435 OD1 ASN A 28 27.292 29.695 8.216 1.00 0.00 O ATOM 436 ND2 ASN A 28 25.969 29.487 10.010 1.00 0.00 N ATOM 0 H ASN A 28 23.555 31.311 5.706 1.00 0.00 H new ATOM 0 HA ASN A 28 26.351 31.481 6.444 1.00 0.00 H new ATOM 0 HB2 ASN A 28 25.281 31.878 8.631 1.00 0.00 H new ATOM 0 HB3 ASN A 28 24.213 30.509 8.392 1.00 0.00 H new ATOM 0 HD21 ASN A 28 26.631 28.867 10.477 1.00 0.00 H new ATOM 0 HD22 ASN A 28 25.093 29.737 10.468 1.00 0.00 H new ATOM 443 N ARG A 29 26.231 29.443 4.998 1.00 0.00 N ATOM 444 CA ARG A 29 26.386 28.167 4.300 1.00 0.00 C ATOM 445 C ARG A 29 25.056 27.583 3.827 1.00 0.00 C ATOM 446 O ARG A 29 24.946 26.375 3.633 1.00 0.00 O ATOM 447 CB ARG A 29 27.162 27.183 5.182 1.00 0.00 C ATOM 448 CG ARG A 29 28.566 27.716 5.485 1.00 0.00 C ATOM 449 CD ARG A 29 29.266 26.787 6.480 1.00 0.00 C ATOM 450 NE ARG A 29 30.650 27.213 6.730 1.00 0.00 N ATOM 451 CZ ARG A 29 31.007 28.226 7.529 1.00 0.00 C ATOM 452 NH1 ARG A 29 30.093 28.958 8.161 1.00 0.00 N ATOM 453 NH2 ARG A 29 32.293 28.516 7.698 1.00 0.00 N ATOM 0 H ARG A 29 26.839 30.178 4.638 1.00 0.00 H new ATOM 0 HA ARG A 29 26.960 28.353 3.392 1.00 0.00 H new ATOM 0 HB2 ARG A 29 26.621 27.019 6.114 1.00 0.00 H new ATOM 0 HB3 ARG A 29 27.235 26.218 4.681 1.00 0.00 H new ATOM 0 HG2 ARG A 29 29.147 27.783 4.565 1.00 0.00 H new ATOM 0 HG3 ARG A 29 28.502 28.724 5.896 1.00 0.00 H new ATOM 0 HD2 ARG A 29 28.713 26.774 7.419 1.00 0.00 H new ATOM 0 HD3 ARG A 29 29.262 25.768 6.093 1.00 0.00 H new ATOM 0 HE ARG A 29 31.394 26.698 6.259 1.00 0.00 H new ATOM 0 HH11 ARG A 29 29.102 28.751 8.041 1.00 0.00 H new ATOM 0 HH12 ARG A 29 30.384 29.726 8.766 1.00 0.00 H new ATOM 0 HH21 ARG A 29 33.007 27.967 7.219 1.00 0.00 H new ATOM 0 HH22 ARG A 29 32.566 29.288 8.307 1.00 0.00 H new ATOM 467 N ALA A 30 24.048 28.444 3.641 1.00 0.00 N ATOM 468 CA ALA A 30 22.695 28.048 3.293 1.00 0.00 C ATOM 469 C ALA A 30 22.116 27.013 4.262 1.00 0.00 C ATOM 470 O ALA A 30 21.216 26.257 3.895 1.00 0.00 O ATOM 471 CB ALA A 30 22.637 27.585 1.838 1.00 0.00 C ATOM 0 H ALA A 30 24.162 29.454 3.732 1.00 0.00 H new ATOM 0 HA ALA A 30 22.055 28.925 3.392 1.00 0.00 H new ATOM 0 HB1 ALA A 30 21.617 27.291 1.590 1.00 0.00 H new ATOM 0 HB2 ALA A 30 22.949 28.400 1.184 1.00 0.00 H new ATOM 0 HB3 ALA A 30 23.304 26.734 1.700 1.00 0.00 H new ATOM 477 N ALA A 31 22.618 26.963 5.498 1.00 0.00 N ATOM 478 CA ALA A 31 22.167 25.995 6.485 1.00 0.00 C ATOM 479 C ALA A 31 20.684 26.175 6.817 1.00 0.00 C ATOM 480 O ALA A 31 20.035 25.227 7.251 1.00 0.00 O ATOM 481 CB ALA A 31 23.020 26.162 7.744 1.00 0.00 C ATOM 0 H ALA A 31 23.346 27.593 5.836 1.00 0.00 H new ATOM 0 HA ALA A 31 22.281 24.990 6.078 1.00 0.00 H new ATOM 0 HB1 ALA A 31 22.699 25.445 8.499 1.00 0.00 H new ATOM 0 HB2 ALA A 31 24.068 25.987 7.500 1.00 0.00 H new ATOM 0 HB3 ALA A 31 22.902 27.174 8.132 1.00 0.00 H new ATOM 487 N VAL A 32 20.145 27.382 6.614 1.00 0.00 N ATOM 488 CA VAL A 32 18.730 27.640 6.849 1.00 0.00 C ATOM 489 C VAL A 32 17.906 26.991 5.744 1.00 0.00 C ATOM 490 O VAL A 32 16.820 26.471 6.006 1.00 0.00 O ATOM 491 CB VAL A 32 18.484 29.149 6.896 1.00 0.00 C ATOM 492 CG1 VAL A 32 16.997 29.443 7.083 1.00 0.00 C ATOM 493 CG2 VAL A 32 19.271 29.775 8.049 1.00 0.00 C ATOM 0 H VAL A 32 20.672 28.192 6.287 1.00 0.00 H new ATOM 0 HA VAL A 32 18.429 27.212 7.805 1.00 0.00 H new ATOM 0 HB VAL A 32 18.817 29.579 5.952 1.00 0.00 H new ATOM 0 HG11 VAL A 32 16.840 30.521 7.114 1.00 0.00 H new ATOM 0 HG12 VAL A 32 16.435 29.019 6.251 1.00 0.00 H new ATOM 0 HG13 VAL A 32 16.653 28.999 8.017 1.00 0.00 H new ATOM 0 HG21 VAL A 32 19.089 30.849 8.073 1.00 0.00 H new ATOM 0 HG22 VAL A 32 18.950 29.331 8.992 1.00 0.00 H new ATOM 0 HG23 VAL A 32 20.336 29.591 7.905 1.00 0.00 H new ATOM 503 N LYS A 33 18.414 27.015 4.506 1.00 0.00 N ATOM 504 CA LYS A 33 17.740 26.393 3.375 1.00 0.00 C ATOM 505 C LYS A 33 17.779 24.878 3.521 1.00 0.00 C ATOM 506 O LYS A 33 16.791 24.200 3.253 1.00 0.00 O ATOM 507 CB LYS A 33 18.441 26.829 2.088 1.00 0.00 C ATOM 508 CG LYS A 33 17.692 26.326 0.853 1.00 0.00 C ATOM 509 CD LYS A 33 18.398 26.797 -0.421 1.00 0.00 C ATOM 510 CE LYS A 33 19.752 26.113 -0.610 1.00 0.00 C ATOM 511 NZ LYS A 33 19.600 24.665 -0.860 1.00 0.00 N ATOM 0 H LYS A 33 19.298 27.464 4.268 1.00 0.00 H new ATOM 0 HA LYS A 33 16.696 26.705 3.341 1.00 0.00 H new ATOM 0 HB2 LYS A 33 18.508 27.916 2.058 1.00 0.00 H new ATOM 0 HB3 LYS A 33 19.461 26.446 2.079 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.641 25.237 0.868 1.00 0.00 H new ATOM 0 HG3 LYS A 33 16.666 26.694 0.866 1.00 0.00 H new ATOM 0 HD2 LYS A 33 17.764 26.592 -1.284 1.00 0.00 H new ATOM 0 HD3 LYS A 33 18.540 27.877 -0.379 1.00 0.00 H new ATOM 0 HE2 LYS A 33 20.279 26.574 -1.445 1.00 0.00 H new ATOM 0 HE3 LYS A 33 20.365 26.267 0.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 20.507 24.271 -1.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 19.309 24.190 0.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 18.877 24.513 -1.592 1.00 0.00 H new ATOM 525 N LYS A 34 18.926 24.356 3.954 1.00 0.00 N ATOM 526 CA LYS A 34 19.144 22.924 4.117 1.00 0.00 C ATOM 527 C LYS A 34 18.292 22.343 5.243 1.00 0.00 C ATOM 528 O LYS A 34 18.019 21.144 5.240 1.00 0.00 O ATOM 529 CB LYS A 34 20.633 22.677 4.371 1.00 0.00 C ATOM 530 CG LYS A 34 21.451 23.050 3.132 1.00 0.00 C ATOM 531 CD LYS A 34 22.939 23.087 3.476 1.00 0.00 C ATOM 532 CE LYS A 34 23.733 23.497 2.236 1.00 0.00 C ATOM 533 NZ LYS A 34 25.155 23.709 2.561 1.00 0.00 N ATOM 0 H LYS A 34 19.736 24.923 4.203 1.00 0.00 H new ATOM 0 HA LYS A 34 18.838 22.415 3.203 1.00 0.00 H new ATOM 0 HB2 LYS A 34 20.966 23.266 5.226 1.00 0.00 H new ATOM 0 HB3 LYS A 34 20.797 21.629 4.622 1.00 0.00 H new ATOM 0 HG2 LYS A 34 21.272 22.326 2.337 1.00 0.00 H new ATOM 0 HG3 LYS A 34 21.133 24.022 2.756 1.00 0.00 H new ATOM 0 HD2 LYS A 34 23.119 23.792 4.287 1.00 0.00 H new ATOM 0 HD3 LYS A 34 23.268 22.108 3.826 1.00 0.00 H new ATOM 0 HE2 LYS A 34 23.643 22.725 1.471 1.00 0.00 H new ATOM 0 HE3 LYS A 34 23.312 24.411 1.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 25.724 23.633 1.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 25.279 24.655 2.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 25.466 22.989 3.243 1.00 0.00 H new ATOM 547 N HIS A 35 17.868 23.170 6.201 1.00 0.00 N ATOM 548 CA HIS A 35 17.013 22.698 7.281 1.00 0.00 C ATOM 549 C HIS A 35 15.588 22.468 6.781 1.00 0.00 C ATOM 550 O HIS A 35 14.903 21.564 7.254 1.00 0.00 O ATOM 551 CB HIS A 35 17.019 23.723 8.415 1.00 0.00 C ATOM 552 CG HIS A 35 16.320 23.211 9.646 1.00 0.00 C ATOM 553 ND1 HIS A 35 16.786 22.217 10.490 1.00 0.00 N ATOM 554 CD2 HIS A 35 15.127 23.656 10.146 1.00 0.00 C ATOM 555 CE1 HIS A 35 15.884 22.058 11.477 1.00 0.00 C ATOM 556 NE2 HIS A 35 14.871 22.926 11.290 1.00 0.00 N ATOM 0 H HIS A 35 18.103 24.161 6.247 1.00 0.00 H new ATOM 0 HA HIS A 35 17.398 21.747 7.650 1.00 0.00 H new ATOM 0 HB2 HIS A 35 18.048 23.981 8.664 1.00 0.00 H new ATOM 0 HB3 HIS A 35 16.534 24.639 8.078 1.00 0.00 H new ATOM 0 HD2 HIS A 35 14.504 24.431 9.726 1.00 0.00 H new ATOM 0 HE1 HIS A 35 15.960 21.349 12.288 1.00 0.00 H new ATOM 0 HE2 HIS A 35 14.053 23.027 11.891 1.00 0.00 H new ATOM 565 N ILE A 36 15.135 23.285 5.825 1.00 0.00 N ATOM 566 CA ILE A 36 13.804 23.135 5.252 1.00 0.00 C ATOM 567 C ILE A 36 13.763 21.901 4.348 1.00 0.00 C ATOM 568 O ILE A 36 12.723 21.261 4.218 1.00 0.00 O ATOM 569 CB ILE A 36 13.429 24.414 4.487 1.00 0.00 C ATOM 570 CG1 ILE A 36 13.408 25.606 5.455 1.00 0.00 C ATOM 571 CG2 ILE A 36 12.069 24.262 3.800 1.00 0.00 C ATOM 572 CD1 ILE A 36 13.236 26.935 4.719 1.00 0.00 C ATOM 0 H ILE A 36 15.676 24.057 5.435 1.00 0.00 H new ATOM 0 HA ILE A 36 13.071 22.988 6.045 1.00 0.00 H new ATOM 0 HB ILE A 36 14.177 24.591 3.714 1.00 0.00 H new ATOM 0 HG12 ILE A 36 12.595 25.479 6.170 1.00 0.00 H new ATOM 0 HG13 ILE A 36 14.335 25.625 6.027 1.00 0.00 H new ATOM 0 HG21 ILE A 36 11.827 25.181 3.266 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.108 23.432 3.095 1.00 0.00 H new ATOM 0 HG23 ILE A 36 11.303 24.065 4.550 1.00 0.00 H new ATOM 0 HD11 ILE A 36 13.226 27.752 5.441 1.00 0.00 H new ATOM 0 HD12 ILE A 36 14.063 27.075 4.023 1.00 0.00 H new ATOM 0 HD13 ILE A 36 12.296 26.927 4.168 1.00 0.00 H new ATOM 584 N GLU A 37 14.894 21.561 3.727 1.00 0.00 N ATOM 585 CA GLU A 37 14.995 20.376 2.886 1.00 0.00 C ATOM 586 C GLU A 37 14.885 19.098 3.716 1.00 0.00 C ATOM 587 O GLU A 37 14.421 18.074 3.210 1.00 0.00 O ATOM 588 CB GLU A 37 16.325 20.401 2.132 1.00 0.00 C ATOM 589 CG GLU A 37 16.353 21.575 1.147 1.00 0.00 C ATOM 590 CD GLU A 37 17.690 21.684 0.416 1.00 0.00 C ATOM 591 OE1 GLU A 37 18.615 20.908 0.746 1.00 0.00 O ATOM 592 OE2 GLU A 37 17.778 22.559 -0.475 1.00 0.00 O ATOM 0 H GLU A 37 15.758 22.098 3.795 1.00 0.00 H new ATOM 0 HA GLU A 37 14.169 20.383 2.175 1.00 0.00 H new ATOM 0 HB2 GLU A 37 17.150 20.490 2.838 1.00 0.00 H new ATOM 0 HB3 GLU A 37 16.465 19.463 1.595 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.551 21.455 0.418 1.00 0.00 H new ATOM 0 HG3 GLU A 37 16.158 22.503 1.685 1.00 0.00 H new ATOM 599 N ARG A 38 15.308 19.146 4.984 1.00 0.00 N ATOM 600 CA ARG A 38 15.199 18.010 5.895 1.00 0.00 C ATOM 601 C ARG A 38 13.845 17.989 6.603 1.00 0.00 C ATOM 602 O ARG A 38 13.465 16.972 7.181 1.00 0.00 O ATOM 603 CB ARG A 38 16.344 18.053 6.907 1.00 0.00 C ATOM 604 CG ARG A 38 17.689 17.848 6.209 1.00 0.00 C ATOM 605 CD ARG A 38 18.817 17.924 7.234 1.00 0.00 C ATOM 606 NE ARG A 38 20.127 17.721 6.604 1.00 0.00 N ATOM 607 CZ ARG A 38 20.779 16.554 6.569 1.00 0.00 C ATOM 608 NH1 ARG A 38 20.251 15.462 7.115 1.00 0.00 N ATOM 609 NH2 ARG A 38 21.971 16.476 5.984 1.00 0.00 N ATOM 0 H ARG A 38 15.734 19.973 5.403 1.00 0.00 H new ATOM 0 HA ARG A 38 15.271 17.091 5.313 1.00 0.00 H new ATOM 0 HB2 ARG A 38 16.341 19.011 7.427 1.00 0.00 H new ATOM 0 HB3 ARG A 38 16.198 17.280 7.662 1.00 0.00 H new ATOM 0 HG2 ARG A 38 17.705 16.881 5.707 1.00 0.00 H new ATOM 0 HG3 ARG A 38 17.831 18.608 5.441 1.00 0.00 H new ATOM 0 HD2 ARG A 38 18.796 18.895 7.729 1.00 0.00 H new ATOM 0 HD3 ARG A 38 18.661 17.170 8.005 1.00 0.00 H new ATOM 0 HE ARG A 38 20.571 18.526 6.162 1.00 0.00 H new ATOM 0 HH11 ARG A 38 19.338 15.508 7.567 1.00 0.00 H new ATOM 0 HH12 ARG A 38 20.759 14.578 7.081 1.00 0.00 H new ATOM 0 HH21 ARG A 38 22.387 17.306 5.562 1.00 0.00 H new ATOM 0 HH22 ARG A 38 22.469 15.586 5.957 1.00 0.00 H new ATOM 623 N GLN A 39 13.117 19.106 6.565 1.00 0.00 N ATOM 624 CA GLN A 39 11.810 19.230 7.197 1.00 0.00 C ATOM 625 C GLN A 39 10.708 18.639 6.319 1.00 0.00 C ATOM 626 O GLN A 39 9.698 18.161 6.834 1.00 0.00 O ATOM 627 CB GLN A 39 11.547 20.716 7.468 1.00 0.00 C ATOM 628 CG GLN A 39 10.121 20.991 7.950 1.00 0.00 C ATOM 629 CD GLN A 39 9.783 20.248 9.238 1.00 0.00 C ATOM 630 OE1 GLN A 39 10.657 19.916 10.033 1.00 0.00 O ATOM 631 NE2 GLN A 39 8.498 19.981 9.452 1.00 0.00 N ATOM 0 H GLN A 39 13.424 19.955 6.090 1.00 0.00 H new ATOM 0 HA GLN A 39 11.805 18.671 8.132 1.00 0.00 H new ATOM 0 HB2 GLN A 39 12.253 21.074 8.217 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.733 21.285 6.557 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.996 22.062 8.109 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.416 20.700 7.171 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.797 20.271 8.771 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.214 19.486 10.297 1.00 0.00 H new ATOM 640 N PHE A 40 10.900 18.673 4.998 1.00 0.00 N ATOM 641 CA PHE A 40 9.903 18.209 4.042 1.00 0.00 C ATOM 642 C PHE A 40 10.448 17.236 2.998 1.00 0.00 C ATOM 643 O PHE A 40 9.748 16.889 2.053 1.00 0.00 O ATOM 644 CB PHE A 40 9.198 19.407 3.404 1.00 0.00 C ATOM 645 CG PHE A 40 8.409 20.255 4.374 1.00 0.00 C ATOM 646 CD1 PHE A 40 8.727 21.614 4.513 1.00 0.00 C ATOM 647 CD2 PHE A 40 7.377 19.696 5.141 1.00 0.00 C ATOM 648 CE1 PHE A 40 8.013 22.415 5.412 1.00 0.00 C ATOM 649 CE2 PHE A 40 6.663 20.496 6.044 1.00 0.00 C ATOM 650 CZ PHE A 40 6.982 21.854 6.179 1.00 0.00 C ATOM 0 H PHE A 40 11.754 19.024 4.565 1.00 0.00 H new ATOM 0 HA PHE A 40 9.173 17.624 4.601 1.00 0.00 H new ATOM 0 HB2 PHE A 40 9.944 20.034 2.915 1.00 0.00 H new ATOM 0 HB3 PHE A 40 8.526 19.046 2.626 1.00 0.00 H new ATOM 0 HD1 PHE A 40 9.525 22.043 3.925 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.132 18.649 5.036 1.00 0.00 H new ATOM 0 HE1 PHE A 40 8.256 23.462 5.515 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.868 20.066 6.635 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.432 22.470 6.875 1.00 0.00 H new ATOM 660 N ASN A 41 11.701 16.803 3.173 1.00 0.00 N ATOM 661 CA ASN A 41 12.402 15.924 2.241 1.00 0.00 C ATOM 662 C ASN A 41 12.484 16.511 0.823 1.00 0.00 C ATOM 663 O ASN A 41 12.785 15.794 -0.130 1.00 0.00 O ATOM 664 CB ASN A 41 11.795 14.514 2.267 1.00 0.00 C ATOM 665 CG ASN A 41 11.874 13.879 3.649 1.00 0.00 C ATOM 666 OD1 ASN A 41 12.632 14.317 4.511 1.00 0.00 O ATOM 667 ND2 ASN A 41 11.086 12.831 3.874 1.00 0.00 N ATOM 0 H ASN A 41 12.264 17.061 3.983 1.00 0.00 H new ATOM 0 HA ASN A 41 13.436 15.842 2.577 1.00 0.00 H new ATOM 0 HB2 ASN A 41 10.753 14.563 1.951 1.00 0.00 H new ATOM 0 HB3 ASN A 41 12.317 13.882 1.548 1.00 0.00 H new ATOM 0 HD21 ASN A 41 11.100 12.368 4.783 1.00 0.00 H new ATOM 0 HD22 ASN A 41 10.467 12.491 3.138 1.00 0.00 H new ATOM 674 N CYS A 42 12.215 17.814 0.692 1.00 0.00 N ATOM 675 CA CYS A 42 12.258 18.523 -0.576 1.00 0.00 C ATOM 676 C CYS A 42 13.671 19.034 -0.852 1.00 0.00 C ATOM 677 O CYS A 42 14.600 18.771 -0.089 1.00 0.00 O ATOM 678 CB CYS A 42 11.274 19.694 -0.500 1.00 0.00 C ATOM 679 SG CYS A 42 11.832 20.858 0.775 1.00 0.00 S ATOM 0 H CYS A 42 11.958 18.408 1.480 1.00 0.00 H new ATOM 0 HA CYS A 42 11.981 17.852 -1.389 1.00 0.00 H new ATOM 0 HB2 CYS A 42 11.212 20.196 -1.466 1.00 0.00 H new ATOM 0 HB3 CYS A 42 10.274 19.330 -0.265 1.00 0.00 H new ATOM 0 HG CYS A 42 11.850 22.062 0.285 1.00 0.00 H new ATOM 685 N VAL A 43 13.827 19.769 -1.956 1.00 0.00 N ATOM 686 CA VAL A 43 15.075 20.428 -2.316 1.00 0.00 C ATOM 687 C VAL A 43 14.739 21.858 -2.717 1.00 0.00 C ATOM 688 O VAL A 43 13.685 22.100 -3.305 1.00 0.00 O ATOM 689 CB VAL A 43 15.770 19.667 -3.452 1.00 0.00 C ATOM 690 CG1 VAL A 43 17.017 20.415 -3.922 1.00 0.00 C ATOM 691 CG2 VAL A 43 16.173 18.267 -2.991 1.00 0.00 C ATOM 0 H VAL A 43 13.077 19.922 -2.631 1.00 0.00 H new ATOM 0 HA VAL A 43 15.769 20.439 -1.475 1.00 0.00 H new ATOM 0 HB VAL A 43 15.065 19.589 -4.279 1.00 0.00 H new ATOM 0 HG11 VAL A 43 17.494 19.857 -4.728 1.00 0.00 H new ATOM 0 HG12 VAL A 43 16.734 21.404 -4.283 1.00 0.00 H new ATOM 0 HG13 VAL A 43 17.714 20.519 -3.091 1.00 0.00 H new ATOM 0 HG21 VAL A 43 16.665 17.742 -3.810 1.00 0.00 H new ATOM 0 HG22 VAL A 43 16.858 18.345 -2.147 1.00 0.00 H new ATOM 0 HG23 VAL A 43 15.284 17.714 -2.687 1.00 0.00 H new ATOM 701 N ILE A 44 15.628 22.805 -2.404 1.00 0.00 N ATOM 702 CA ILE A 44 15.406 24.216 -2.702 1.00 0.00 C ATOM 703 C ILE A 44 16.657 24.811 -3.340 1.00 0.00 C ATOM 704 O ILE A 44 17.775 24.433 -2.996 1.00 0.00 O ATOM 705 CB ILE A 44 15.001 24.972 -1.428 1.00 0.00 C ATOM 706 CG1 ILE A 44 13.722 24.370 -0.830 1.00 0.00 C ATOM 707 CG2 ILE A 44 14.790 26.466 -1.707 1.00 0.00 C ATOM 708 CD1 ILE A 44 13.374 25.007 0.516 1.00 0.00 C ATOM 0 H ILE A 44 16.516 22.613 -1.940 1.00 0.00 H new ATOM 0 HA ILE A 44 14.586 24.314 -3.414 1.00 0.00 H new ATOM 0 HB ILE A 44 15.816 24.869 -0.711 1.00 0.00 H new ATOM 0 HG12 ILE A 44 12.894 24.511 -1.525 1.00 0.00 H new ATOM 0 HG13 ILE A 44 13.851 23.295 -0.702 1.00 0.00 H new ATOM 0 HG21 ILE A 44 14.504 26.972 -0.785 1.00 0.00 H new ATOM 0 HG22 ILE A 44 15.715 26.899 -2.087 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.000 26.590 -2.448 1.00 0.00 H new ATOM 0 HD11 ILE A 44 12.463 24.555 0.908 1.00 0.00 H new ATOM 0 HD12 ILE A 44 14.191 24.843 1.218 1.00 0.00 H new ATOM 0 HD13 ILE A 44 13.219 26.078 0.383 1.00 0.00 H new ATOM 720 N THR A 45 16.460 25.746 -4.270 1.00 0.00 N ATOM 721 CA THR A 45 17.542 26.426 -4.960 1.00 0.00 C ATOM 722 C THR A 45 17.364 27.930 -5.074 1.00 0.00 C ATOM 723 O THR A 45 16.256 28.405 -5.319 1.00 0.00 O ATOM 724 CB THR A 45 17.848 25.781 -6.319 1.00 0.00 C ATOM 725 OG1 THR A 45 17.643 24.384 -6.267 1.00 0.00 O ATOM 726 CG2 THR A 45 19.279 26.072 -6.762 1.00 0.00 C ATOM 0 H THR A 45 15.532 26.051 -4.564 1.00 0.00 H new ATOM 0 HA THR A 45 18.415 26.292 -4.321 1.00 0.00 H new ATOM 0 HB THR A 45 17.164 26.217 -7.047 1.00 0.00 H new ATOM 0 HG1 THR A 45 17.842 23.991 -7.143 1.00 0.00 H new ATOM 0 HG21 THR A 45 19.464 25.601 -7.728 1.00 0.00 H new ATOM 0 HG22 THR A 45 19.421 27.149 -6.850 1.00 0.00 H new ATOM 0 HG23 THR A 45 19.976 25.674 -6.025 1.00 0.00 H new ATOM 734 N VAL A 46 18.454 28.681 -4.897 1.00 0.00 N ATOM 735 CA VAL A 46 18.435 30.132 -5.037 1.00 0.00 C ATOM 736 C VAL A 46 19.231 30.567 -6.259 1.00 0.00 C ATOM 737 O VAL A 46 20.223 29.934 -6.615 1.00 0.00 O ATOM 738 CB VAL A 46 18.869 30.833 -3.741 1.00 0.00 C ATOM 739 CG1 VAL A 46 18.525 32.323 -3.805 1.00 0.00 C ATOM 740 CG2 VAL A 46 18.165 30.214 -2.531 1.00 0.00 C ATOM 0 H VAL A 46 19.368 28.299 -4.654 1.00 0.00 H new ATOM 0 HA VAL A 46 17.407 30.450 -5.209 1.00 0.00 H new ATOM 0 HB VAL A 46 19.947 30.707 -3.635 1.00 0.00 H new ATOM 0 HG11 VAL A 46 18.838 32.809 -2.881 1.00 0.00 H new ATOM 0 HG12 VAL A 46 19.043 32.780 -4.648 1.00 0.00 H new ATOM 0 HG13 VAL A 46 17.449 32.443 -3.932 1.00 0.00 H new ATOM 0 HG21 VAL A 46 18.486 30.724 -1.623 1.00 0.00 H new ATOM 0 HG22 VAL A 46 17.086 30.319 -2.645 1.00 0.00 H new ATOM 0 HG23 VAL A 46 18.421 29.157 -2.463 1.00 0.00 H new ATOM 750 N HIS A 47 18.792 31.651 -6.897 1.00 0.00 N ATOM 751 CA HIS A 47 19.343 32.114 -8.159 1.00 0.00 C ATOM 752 C HIS A 47 19.742 33.585 -8.097 1.00 0.00 C ATOM 753 O HIS A 47 19.275 34.400 -8.892 1.00 0.00 O ATOM 754 CB HIS A 47 18.335 31.797 -9.269 1.00 0.00 C ATOM 755 CG HIS A 47 18.296 30.332 -9.613 1.00 0.00 C ATOM 756 ND1 HIS A 47 19.285 29.636 -10.281 1.00 0.00 N ATOM 757 CD2 HIS A 47 17.278 29.459 -9.352 1.00 0.00 C ATOM 758 CE1 HIS A 47 18.874 28.361 -10.424 1.00 0.00 C ATOM 759 NE2 HIS A 47 17.651 28.233 -9.872 1.00 0.00 N ATOM 0 H HIS A 47 18.035 32.236 -6.544 1.00 0.00 H new ATOM 0 HA HIS A 47 20.272 31.588 -8.381 1.00 0.00 H new ATOM 0 HB2 HIS A 47 17.342 32.120 -8.956 1.00 0.00 H new ATOM 0 HB3 HIS A 47 18.590 32.369 -10.161 1.00 0.00 H new ATOM 0 HD1 HIS A 47 20.171 30.020 -10.609 1.00 0.00 H new ATOM 0 HD2 HIS A 47 16.356 29.684 -8.837 1.00 0.00 H new ATOM 0 HE1 HIS A 47 19.433 27.571 -10.903 1.00 0.00 H new ATOM 0 HE2 HIS A 47 17.096 27.378 -9.843 1.00 0.00 H new ATOM 768 N THR A 48 20.615 33.927 -7.145 1.00 0.00 N ATOM 769 CA THR A 48 21.103 35.288 -6.971 1.00 0.00 C ATOM 770 C THR A 48 21.884 35.865 -8.147 1.00 0.00 C ATOM 771 O THR A 48 22.157 37.063 -8.173 1.00 0.00 O ATOM 772 CB THR A 48 21.856 35.465 -5.646 1.00 0.00 C ATOM 773 OG1 THR A 48 23.229 35.198 -5.841 1.00 0.00 O ATOM 774 CG2 THR A 48 21.343 34.551 -4.535 1.00 0.00 C ATOM 0 H THR A 48 21.001 33.262 -6.474 1.00 0.00 H new ATOM 0 HA THR A 48 20.194 35.888 -6.934 1.00 0.00 H new ATOM 0 HB THR A 48 21.690 36.496 -5.333 1.00 0.00 H new ATOM 0 HG1 THR A 48 23.708 35.313 -4.994 1.00 0.00 H new ATOM 0 HG21 THR A 48 21.918 34.726 -3.625 1.00 0.00 H new ATOM 0 HG22 THR A 48 20.291 34.763 -4.346 1.00 0.00 H new ATOM 0 HG23 THR A 48 21.454 33.510 -4.840 1.00 0.00 H new ATOM 782 N GLU A 49 22.248 35.023 -9.124 1.00 0.00 N ATOM 783 CA GLU A 49 22.933 35.473 -10.323 1.00 0.00 C ATOM 784 C GLU A 49 21.965 36.213 -11.251 1.00 0.00 C ATOM 785 O GLU A 49 22.396 36.875 -12.195 1.00 0.00 O ATOM 786 CB GLU A 49 23.593 34.282 -11.033 1.00 0.00 C ATOM 787 CG GLU A 49 22.607 33.266 -11.627 1.00 0.00 C ATOM 788 CD GLU A 49 22.049 32.270 -10.611 1.00 0.00 C ATOM 789 OE1 GLU A 49 22.467 32.318 -9.432 1.00 0.00 O ATOM 790 OE2 GLU A 49 21.197 31.452 -11.025 1.00 0.00 O ATOM 0 H GLU A 49 22.073 34.018 -9.097 1.00 0.00 H new ATOM 0 HA GLU A 49 23.718 36.174 -10.040 1.00 0.00 H new ATOM 0 HB2 GLU A 49 24.230 34.660 -11.832 1.00 0.00 H new ATOM 0 HB3 GLU A 49 24.242 33.767 -10.324 1.00 0.00 H new ATOM 0 HG2 GLU A 49 21.777 33.805 -12.084 1.00 0.00 H new ATOM 0 HG3 GLU A 49 23.106 32.715 -12.424 1.00 0.00 H new ATOM 797 N VAL A 50 20.657 36.107 -10.987 1.00 0.00 N ATOM 798 CA VAL A 50 19.635 36.835 -11.730 1.00 0.00 C ATOM 799 C VAL A 50 19.542 38.268 -11.215 1.00 0.00 C ATOM 800 O VAL A 50 19.900 38.545 -10.074 1.00 0.00 O ATOM 801 CB VAL A 50 18.279 36.123 -11.607 1.00 0.00 C ATOM 802 CG1 VAL A 50 17.184 36.836 -12.407 1.00 0.00 C ATOM 803 CG2 VAL A 50 18.395 34.686 -12.109 1.00 0.00 C ATOM 0 H VAL A 50 20.282 35.511 -10.249 1.00 0.00 H new ATOM 0 HA VAL A 50 19.911 36.861 -12.784 1.00 0.00 H new ATOM 0 HB VAL A 50 18.003 36.137 -10.553 1.00 0.00 H new ATOM 0 HG11 VAL A 50 16.242 36.300 -12.292 1.00 0.00 H new ATOM 0 HG12 VAL A 50 17.069 37.855 -12.038 1.00 0.00 H new ATOM 0 HG13 VAL A 50 17.461 36.861 -13.461 1.00 0.00 H new ATOM 0 HG21 VAL A 50 17.429 34.190 -12.018 1.00 0.00 H new ATOM 0 HG22 VAL A 50 18.704 34.690 -13.154 1.00 0.00 H new ATOM 0 HG23 VAL A 50 19.135 34.151 -11.514 1.00 0.00 H new ATOM 813 N GLN A 51 19.055 39.178 -12.060 1.00 0.00 N ATOM 814 CA GLN A 51 18.850 40.562 -11.676 1.00 0.00 C ATOM 815 C GLN A 51 17.635 41.133 -12.398 1.00 0.00 C ATOM 816 O GLN A 51 17.537 41.057 -13.622 1.00 0.00 O ATOM 817 CB GLN A 51 20.119 41.365 -11.964 1.00 0.00 C ATOM 818 CG GLN A 51 19.919 42.849 -11.644 1.00 0.00 C ATOM 819 CD GLN A 51 21.220 43.641 -11.752 1.00 0.00 C ATOM 820 OE1 GLN A 51 22.270 43.103 -12.102 1.00 0.00 O ATOM 821 NE2 GLN A 51 21.159 44.934 -11.453 1.00 0.00 N ATOM 0 H GLN A 51 18.795 38.971 -13.024 1.00 0.00 H new ATOM 0 HA GLN A 51 18.649 40.625 -10.607 1.00 0.00 H new ATOM 0 HB2 GLN A 51 20.945 40.970 -11.372 1.00 0.00 H new ATOM 0 HB3 GLN A 51 20.395 41.250 -13.012 1.00 0.00 H new ATOM 0 HG2 GLN A 51 19.181 43.270 -12.327 1.00 0.00 H new ATOM 0 HG3 GLN A 51 19.516 42.951 -10.636 1.00 0.00 H new ATOM 0 HE21 GLN A 51 20.273 45.350 -11.166 1.00 0.00 H new ATOM 0 HE22 GLN A 51 21.998 45.511 -11.510 1.00 0.00 H new ATOM 830 N SER A 52 16.713 41.702 -11.621 1.00 0.00 N ATOM 831 CA SER A 52 15.515 42.347 -12.137 1.00 0.00 C ATOM 832 C SER A 52 15.345 43.736 -11.530 1.00 0.00 C ATOM 833 O SER A 52 15.849 44.010 -10.442 1.00 0.00 O ATOM 834 CB SER A 52 14.293 41.470 -11.876 1.00 0.00 C ATOM 835 OG SER A 52 14.390 40.278 -12.628 1.00 0.00 O ATOM 0 H SER A 52 16.782 41.726 -10.604 1.00 0.00 H new ATOM 0 HA SER A 52 15.618 42.472 -13.215 1.00 0.00 H new ATOM 0 HB2 SER A 52 14.222 41.236 -10.814 1.00 0.00 H new ATOM 0 HB3 SER A 52 13.384 42.008 -12.145 1.00 0.00 H new ATOM 0 HG SER A 52 14.117 39.518 -12.073 1.00 0.00 H new ATOM 841 N SER A 53 14.631 44.616 -12.235 1.00 0.00 N ATOM 842 CA SER A 53 14.468 46.009 -11.835 1.00 0.00 C ATOM 843 C SER A 53 13.649 46.152 -10.552 1.00 0.00 C ATOM 844 O SER A 53 13.688 47.206 -9.915 1.00 0.00 O ATOM 845 CB SER A 53 13.787 46.779 -12.964 1.00 0.00 C ATOM 846 OG SER A 53 14.585 46.746 -14.130 1.00 0.00 O ATOM 0 H SER A 53 14.149 44.378 -13.102 1.00 0.00 H new ATOM 0 HA SER A 53 15.459 46.416 -11.636 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.809 46.345 -13.172 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.619 47.812 -12.659 1.00 0.00 H new ATOM 0 HG SER A 53 14.137 47.241 -14.847 1.00 0.00 H new ATOM 852 N PHE A 54 12.913 45.104 -10.166 1.00 0.00 N ATOM 853 CA PHE A 54 12.123 45.110 -8.944 1.00 0.00 C ATOM 854 C PHE A 54 12.864 44.795 -7.641 1.00 0.00 C ATOM 855 O PHE A 54 12.254 44.761 -6.573 1.00 0.00 O ATOM 856 CB PHE A 54 10.776 44.405 -9.113 1.00 0.00 C ATOM 857 CG PHE A 54 10.836 43.144 -9.942 1.00 0.00 C ATOM 858 CD1 PHE A 54 11.511 42.018 -9.451 1.00 0.00 C ATOM 859 CD2 PHE A 54 10.215 43.096 -11.200 1.00 0.00 C ATOM 860 CE1 PHE A 54 11.556 40.842 -10.213 1.00 0.00 C ATOM 861 CE2 PHE A 54 10.262 41.920 -11.961 1.00 0.00 C ATOM 862 CZ PHE A 54 10.932 40.792 -11.470 1.00 0.00 C ATOM 0 H PHE A 54 12.853 44.234 -10.694 1.00 0.00 H new ATOM 0 HA PHE A 54 11.893 46.164 -8.788 1.00 0.00 H new ATOM 0 HB2 PHE A 54 10.381 44.160 -8.127 1.00 0.00 H new ATOM 0 HB3 PHE A 54 10.072 45.097 -9.575 1.00 0.00 H new ATOM 0 HD1 PHE A 54 11.996 42.056 -8.487 1.00 0.00 H new ATOM 0 HD2 PHE A 54 9.701 43.966 -11.582 1.00 0.00 H new ATOM 0 HE1 PHE A 54 12.072 39.973 -9.832 1.00 0.00 H new ATOM 0 HE2 PHE A 54 9.781 41.883 -12.927 1.00 0.00 H new ATOM 0 HZ PHE A 54 10.969 39.886 -12.057 1.00 0.00 H new ATOM 872 N GLY A 55 14.179 44.561 -7.725 1.00 0.00 N ATOM 873 CA GLY A 55 15.005 44.357 -6.539 1.00 0.00 C ATOM 874 C GLY A 55 14.734 43.013 -5.867 1.00 0.00 C ATOM 875 O GLY A 55 14.608 42.955 -4.642 1.00 0.00 O ATOM 0 H GLY A 55 14.691 44.509 -8.606 1.00 0.00 H new ATOM 0 HA2 GLY A 55 16.057 44.416 -6.818 1.00 0.00 H new ATOM 0 HA3 GLY A 55 14.819 45.161 -5.827 1.00 0.00 H new ATOM 879 N ALA A 56 14.639 41.939 -6.658 1.00 0.00 N ATOM 880 CA ALA A 56 14.348 40.615 -6.135 1.00 0.00 C ATOM 881 C ALA A 56 15.193 39.536 -6.808 1.00 0.00 C ATOM 882 O ALA A 56 15.849 39.781 -7.822 1.00 0.00 O ATOM 883 CB ALA A 56 12.856 40.332 -6.314 1.00 0.00 C ATOM 0 H ALA A 56 14.762 41.970 -7.670 1.00 0.00 H new ATOM 0 HA ALA A 56 14.604 40.593 -5.076 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.625 39.340 -5.925 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.276 41.079 -5.772 1.00 0.00 H new ATOM 0 HB3 ALA A 56 12.602 40.375 -7.373 1.00 0.00 H new ATOM 889 N THR A 57 15.174 38.331 -6.232 1.00 0.00 N ATOM 890 CA THR A 57 15.923 37.178 -6.706 1.00 0.00 C ATOM 891 C THR A 57 14.923 36.021 -6.684 1.00 0.00 C ATOM 892 O THR A 57 14.209 35.846 -5.698 1.00 0.00 O ATOM 893 CB THR A 57 17.066 36.912 -5.723 1.00 0.00 C ATOM 894 OG1 THR A 57 18.154 37.756 -6.029 1.00 0.00 O ATOM 895 CG2 THR A 57 17.548 35.461 -5.793 1.00 0.00 C ATOM 0 H THR A 57 14.619 38.131 -5.400 1.00 0.00 H new ATOM 0 HA THR A 57 16.350 37.317 -7.699 1.00 0.00 H new ATOM 0 HB THR A 57 16.689 37.107 -4.719 1.00 0.00 H new ATOM 0 HG1 THR A 57 18.886 37.588 -5.399 1.00 0.00 H new ATOM 0 HG21 THR A 57 18.359 35.312 -5.081 1.00 0.00 H new ATOM 0 HG22 THR A 57 16.723 34.791 -5.549 1.00 0.00 H new ATOM 0 HG23 THR A 57 17.905 35.244 -6.800 1.00 0.00 H new ATOM 903 N PRO A 58 14.860 35.226 -7.759 1.00 0.00 N ATOM 904 CA PRO A 58 13.974 34.083 -7.853 1.00 0.00 C ATOM 905 C PRO A 58 14.548 32.872 -7.115 1.00 0.00 C ATOM 906 O PRO A 58 15.763 32.747 -6.953 1.00 0.00 O ATOM 907 CB PRO A 58 13.840 33.819 -9.349 1.00 0.00 C ATOM 908 CG PRO A 58 15.208 34.227 -9.891 1.00 0.00 C ATOM 909 CD PRO A 58 15.628 35.381 -8.979 1.00 0.00 C ATOM 0 HA PRO A 58 13.007 34.272 -7.386 1.00 0.00 H new ATOM 0 HB2 PRO A 58 13.619 32.772 -9.556 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.037 34.408 -9.793 1.00 0.00 H new ATOM 0 HG2 PRO A 58 15.919 33.402 -9.847 1.00 0.00 H new ATOM 0 HG3 PRO A 58 15.149 34.541 -10.933 1.00 0.00 H new ATOM 0 HD2 PRO A 58 16.698 35.346 -8.774 1.00 0.00 H new ATOM 0 HD3 PRO A 58 15.424 36.343 -9.449 1.00 0.00 H new ATOM 917 N VAL A 59 13.652 31.982 -6.673 1.00 0.00 N ATOM 918 CA VAL A 59 14.006 30.719 -6.037 1.00 0.00 C ATOM 919 C VAL A 59 13.183 29.561 -6.592 1.00 0.00 C ATOM 920 O VAL A 59 12.104 29.779 -7.144 1.00 0.00 O ATOM 921 CB VAL A 59 13.999 30.789 -4.500 1.00 0.00 C ATOM 922 CG1 VAL A 59 14.291 32.197 -3.980 1.00 0.00 C ATOM 923 CG2 VAL A 59 12.656 30.333 -3.921 1.00 0.00 C ATOM 0 H VAL A 59 12.645 32.127 -6.751 1.00 0.00 H new ATOM 0 HA VAL A 59 15.045 30.518 -6.299 1.00 0.00 H new ATOM 0 HB VAL A 59 14.792 30.116 -4.173 1.00 0.00 H new ATOM 0 HG11 VAL A 59 14.275 32.193 -2.890 1.00 0.00 H new ATOM 0 HG12 VAL A 59 15.274 32.516 -4.327 1.00 0.00 H new ATOM 0 HG13 VAL A 59 13.533 32.887 -4.352 1.00 0.00 H new ATOM 0 HG21 VAL A 59 12.689 30.396 -2.833 1.00 0.00 H new ATOM 0 HG22 VAL A 59 11.860 30.975 -4.298 1.00 0.00 H new ATOM 0 HG23 VAL A 59 12.462 29.303 -4.219 1.00 0.00 H new ATOM 933 N GLU A 60 13.688 28.334 -6.454 1.00 0.00 N ATOM 934 CA GLU A 60 13.055 27.142 -6.992 1.00 0.00 C ATOM 935 C GLU A 60 12.943 26.057 -5.926 1.00 0.00 C ATOM 936 O GLU A 60 13.727 26.034 -4.978 1.00 0.00 O ATOM 937 CB GLU A 60 13.848 26.646 -8.202 1.00 0.00 C ATOM 938 CG GLU A 60 13.676 27.595 -9.391 1.00 0.00 C ATOM 939 CD GLU A 60 14.607 27.237 -10.550 1.00 0.00 C ATOM 940 OE1 GLU A 60 14.375 27.783 -11.651 1.00 0.00 O ATOM 941 OE2 GLU A 60 15.537 26.429 -10.335 1.00 0.00 O ATOM 0 H GLU A 60 14.559 28.144 -5.958 1.00 0.00 H new ATOM 0 HA GLU A 60 12.043 27.389 -7.312 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.904 26.568 -7.943 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.512 25.646 -8.477 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.642 27.563 -9.734 1.00 0.00 H new ATOM 0 HG3 GLU A 60 13.874 28.618 -9.070 1.00 0.00 H new ATOM 948 N ILE A 61 11.967 25.158 -6.081 1.00 0.00 N ATOM 949 CA ILE A 61 11.715 24.072 -5.139 1.00 0.00 C ATOM 950 C ILE A 61 11.414 22.789 -5.907 1.00 0.00 C ATOM 951 O ILE A 61 10.842 22.845 -6.993 1.00 0.00 O ATOM 952 CB ILE A 61 10.554 24.438 -4.201 1.00 0.00 C ATOM 953 CG1 ILE A 61 10.791 25.814 -3.562 1.00 0.00 C ATOM 954 CG2 ILE A 61 10.352 23.354 -3.137 1.00 0.00 C ATOM 955 CD1 ILE A 61 9.648 26.225 -2.635 1.00 0.00 C ATOM 0 H ILE A 61 11.325 25.167 -6.873 1.00 0.00 H new ATOM 0 HA ILE A 61 12.602 23.912 -4.527 1.00 0.00 H new ATOM 0 HB ILE A 61 9.638 24.496 -4.790 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.724 25.795 -2.999 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.907 26.562 -4.346 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.525 23.634 -2.484 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.125 22.405 -3.623 1.00 0.00 H new ATOM 0 HG23 ILE A 61 11.262 23.250 -2.546 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.861 27.205 -2.207 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.718 26.271 -3.202 1.00 0.00 H new ATOM 0 HD13 ILE A 61 9.548 25.493 -1.834 1.00 0.00 H new ATOM 967 N VAL A 62 11.793 21.638 -5.345 1.00 0.00 N ATOM 968 CA VAL A 62 11.555 20.333 -5.945 1.00 0.00 C ATOM 969 C VAL A 62 11.159 19.320 -4.875 1.00 0.00 C ATOM 970 O VAL A 62 11.711 19.329 -3.777 1.00 0.00 O ATOM 971 CB VAL A 62 12.788 19.856 -6.715 1.00 0.00 C ATOM 972 CG1 VAL A 62 12.509 18.524 -7.413 1.00 0.00 C ATOM 973 CG2 VAL A 62 13.223 20.881 -7.764 1.00 0.00 C ATOM 0 H VAL A 62 12.279 21.591 -4.450 1.00 0.00 H new ATOM 0 HA VAL A 62 10.731 20.425 -6.653 1.00 0.00 H new ATOM 0 HB VAL A 62 13.590 19.730 -5.987 1.00 0.00 H new ATOM 0 HG11 VAL A 62 13.399 18.204 -7.954 1.00 0.00 H new ATOM 0 HG12 VAL A 62 12.246 17.772 -6.669 1.00 0.00 H new ATOM 0 HG13 VAL A 62 11.683 18.646 -8.113 1.00 0.00 H new ATOM 0 HG21 VAL A 62 14.101 20.510 -8.292 1.00 0.00 H new ATOM 0 HG22 VAL A 62 12.412 21.041 -8.475 1.00 0.00 H new ATOM 0 HG23 VAL A 62 13.466 21.823 -7.273 1.00 0.00 H new ATOM 983 N ALA A 63 10.203 18.445 -5.200 1.00 0.00 N ATOM 984 CA ALA A 63 9.752 17.387 -4.304 1.00 0.00 C ATOM 985 C ALA A 63 9.039 16.295 -5.099 1.00 0.00 C ATOM 986 O ALA A 63 8.714 16.491 -6.272 1.00 0.00 O ATOM 987 CB ALA A 63 8.812 17.973 -3.251 1.00 0.00 C ATOM 0 H ALA A 63 9.720 18.454 -6.098 1.00 0.00 H new ATOM 0 HA ALA A 63 10.615 16.946 -3.805 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.476 17.181 -2.582 1.00 0.00 H new ATOM 0 HB2 ALA A 63 9.339 18.734 -2.676 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.950 18.423 -3.743 1.00 0.00 H new ATOM 993 N GLN A 64 8.788 15.146 -4.470 1.00 0.00 N ATOM 994 CA GLN A 64 8.116 14.036 -5.136 1.00 0.00 C ATOM 995 C GLN A 64 6.628 14.317 -5.319 1.00 0.00 C ATOM 996 O GLN A 64 5.970 13.656 -6.124 1.00 0.00 O ATOM 997 CB GLN A 64 8.279 12.761 -4.301 1.00 0.00 C ATOM 998 CG GLN A 64 9.750 12.433 -4.043 1.00 0.00 C ATOM 999 CD GLN A 64 10.566 12.323 -5.330 1.00 0.00 C ATOM 1000 OE1 GLN A 64 11.689 12.811 -5.404 1.00 0.00 O ATOM 1001 NE2 GLN A 64 10.007 11.683 -6.354 1.00 0.00 N ATOM 0 H GLN A 64 9.041 14.962 -3.499 1.00 0.00 H new ATOM 0 HA GLN A 64 8.571 13.910 -6.118 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.762 12.882 -3.349 1.00 0.00 H new ATOM 0 HB3 GLN A 64 7.806 11.926 -4.817 1.00 0.00 H new ATOM 0 HG2 GLN A 64 10.184 13.205 -3.408 1.00 0.00 H new ATOM 0 HG3 GLN A 64 9.817 11.494 -3.494 1.00 0.00 H new ATOM 0 HE21 GLN A 64 9.071 11.289 -6.259 1.00 0.00 H new ATOM 0 HE22 GLN A 64 10.514 11.587 -7.234 1.00 0.00 H new ATOM 1010 N ASN A 65 6.086 15.289 -4.580 1.00 0.00 N ATOM 1011 CA ASN A 65 4.667 15.591 -4.609 1.00 0.00 C ATOM 1012 C ASN A 65 4.398 17.018 -4.119 1.00 0.00 C ATOM 1013 O ASN A 65 5.261 17.652 -3.513 1.00 0.00 O ATOM 1014 CB ASN A 65 3.924 14.550 -3.759 1.00 0.00 C ATOM 1015 CG ASN A 65 4.457 14.444 -2.335 1.00 0.00 C ATOM 1016 OD1 ASN A 65 4.875 15.429 -1.738 1.00 0.00 O ATOM 1017 ND2 ASN A 65 4.444 13.238 -1.772 1.00 0.00 N ATOM 0 H ASN A 65 6.624 15.883 -3.949 1.00 0.00 H new ATOM 0 HA ASN A 65 4.301 15.539 -5.635 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.865 14.807 -3.725 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.000 13.576 -4.242 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.788 13.116 -0.819 1.00 0.00 H new ATOM 0 HD22 ASN A 65 4.090 12.436 -2.293 1.00 0.00 H new ATOM 1024 N LYS A 66 3.189 17.532 -4.377 1.00 0.00 N ATOM 1025 CA LYS A 66 2.812 18.869 -3.939 1.00 0.00 C ATOM 1026 C LYS A 66 2.599 18.910 -2.426 1.00 0.00 C ATOM 1027 O LYS A 66 2.568 19.987 -1.838 1.00 0.00 O ATOM 1028 CB LYS A 66 1.548 19.329 -4.670 1.00 0.00 C ATOM 1029 CG LYS A 66 1.753 19.371 -6.186 1.00 0.00 C ATOM 1030 CD LYS A 66 0.519 20.004 -6.840 1.00 0.00 C ATOM 1031 CE LYS A 66 0.619 20.001 -8.364 1.00 0.00 C ATOM 1032 NZ LYS A 66 1.780 20.773 -8.849 1.00 0.00 N ATOM 0 H LYS A 66 2.459 17.036 -4.888 1.00 0.00 H new ATOM 0 HA LYS A 66 3.627 19.551 -4.183 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.725 18.655 -4.433 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.262 20.319 -4.314 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.645 19.948 -6.429 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.909 18.364 -6.573 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.374 19.459 -6.533 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.405 21.028 -6.485 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.694 18.973 -8.719 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.295 20.418 -8.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.492 21.364 -9.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.137 21.381 -8.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.530 20.119 -9.150 1.00 0.00 H new ATOM 1046 N GLU A 67 2.449 17.741 -1.795 1.00 0.00 N ATOM 1047 CA GLU A 67 2.254 17.633 -0.355 1.00 0.00 C ATOM 1048 C GLU A 67 3.537 17.977 0.408 1.00 0.00 C ATOM 1049 O GLU A 67 3.536 17.997 1.638 1.00 0.00 O ATOM 1050 CB GLU A 67 1.788 16.218 0.000 1.00 0.00 C ATOM 1051 CG GLU A 67 0.478 15.881 -0.718 1.00 0.00 C ATOM 1052 CD GLU A 67 -0.082 14.524 -0.294 1.00 0.00 C ATOM 1053 OE1 GLU A 67 -1.202 14.203 -0.750 1.00 0.00 O ATOM 1054 OE2 GLU A 67 0.602 13.816 0.479 1.00 0.00 O ATOM 0 H GLU A 67 2.460 16.842 -2.276 1.00 0.00 H new ATOM 0 HA GLU A 67 1.489 18.350 -0.059 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.556 15.497 -0.278 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.649 16.136 1.078 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.258 16.657 -0.509 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.646 15.882 -1.795 1.00 0.00 H new ATOM 1061 N GLN A 68 4.630 18.244 -0.314 1.00 0.00 N ATOM 1062 CA GLN A 68 5.896 18.649 0.282 1.00 0.00 C ATOM 1063 C GLN A 68 6.467 19.879 -0.419 1.00 0.00 C ATOM 1064 O GLN A 68 7.214 20.638 0.190 1.00 0.00 O ATOM 1065 CB GLN A 68 6.887 17.488 0.188 1.00 0.00 C ATOM 1066 CG GLN A 68 6.459 16.304 1.053 1.00 0.00 C ATOM 1067 CD GLN A 68 7.355 15.091 0.831 1.00 0.00 C ATOM 1068 OE1 GLN A 68 8.142 15.038 -0.112 1.00 0.00 O ATOM 1069 NE2 GLN A 68 7.241 14.097 1.708 1.00 0.00 N ATOM 0 H GLN A 68 4.656 18.183 -1.332 1.00 0.00 H new ATOM 0 HA GLN A 68 5.724 18.909 1.327 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.973 17.167 -0.850 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.875 17.827 0.500 1.00 0.00 H new ATOM 0 HG2 GLN A 68 6.489 16.591 2.104 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.426 16.041 0.824 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.578 14.171 2.480 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.816 13.261 1.608 1.00 0.00 H new ATOM 1078 N CYS A 69 6.122 20.089 -1.693 1.00 0.00 N ATOM 1079 CA CYS A 69 6.633 21.232 -2.439 1.00 0.00 C ATOM 1080 C CYS A 69 5.928 22.506 -1.972 1.00 0.00 C ATOM 1081 O CYS A 69 6.557 23.558 -1.872 1.00 0.00 O ATOM 1082 CB CYS A 69 6.367 20.980 -3.920 1.00 0.00 C ATOM 1083 SG CYS A 69 7.345 22.146 -4.902 1.00 0.00 S ATOM 0 H CYS A 69 5.495 19.484 -2.223 1.00 0.00 H new ATOM 0 HA CYS A 69 7.703 21.358 -2.272 1.00 0.00 H new ATOM 0 HB2 CYS A 69 6.630 19.955 -4.181 1.00 0.00 H new ATOM 0 HB3 CYS A 69 5.306 21.102 -4.138 1.00 0.00 H new ATOM 0 HG CYS A 69 7.127 21.938 -6.167 1.00 0.00 H new ATOM 1089 N GLN A 70 4.625 22.417 -1.681 1.00 0.00 N ATOM 1090 CA GLN A 70 3.863 23.565 -1.211 1.00 0.00 C ATOM 1091 C GLN A 70 4.207 23.891 0.239 1.00 0.00 C ATOM 1092 O GLN A 70 4.141 25.052 0.644 1.00 0.00 O ATOM 1093 CB GLN A 70 2.364 23.272 -1.306 1.00 0.00 C ATOM 1094 CG GLN A 70 1.893 23.028 -2.743 1.00 0.00 C ATOM 1095 CD GLN A 70 1.899 24.291 -3.601 1.00 0.00 C ATOM 1096 OE1 GLN A 70 2.224 25.380 -3.136 1.00 0.00 O ATOM 1097 NE2 GLN A 70 1.536 24.144 -4.871 1.00 0.00 N ATOM 0 H GLN A 70 4.081 21.558 -1.765 1.00 0.00 H new ATOM 0 HA GLN A 70 4.120 24.417 -1.840 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.131 22.397 -0.699 1.00 0.00 H new ATOM 0 HB3 GLN A 70 1.808 24.109 -0.884 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.535 22.279 -3.206 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.884 22.615 -2.723 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.272 23.224 -5.223 1.00 0.00 H new ATOM 0 HE22 GLN A 70 1.521 24.952 -5.494 1.00 0.00 H new ATOM 1106 N GLU A 71 4.579 22.882 1.031 1.00 0.00 N ATOM 1107 CA GLU A 71 4.918 23.102 2.427 1.00 0.00 C ATOM 1108 C GLU A 71 6.276 23.795 2.523 1.00 0.00 C ATOM 1109 O GLU A 71 6.507 24.576 3.444 1.00 0.00 O ATOM 1110 CB GLU A 71 4.951 21.757 3.161 1.00 0.00 C ATOM 1111 CG GLU A 71 3.631 20.984 3.031 1.00 0.00 C ATOM 1112 CD GLU A 71 2.445 21.713 3.666 1.00 0.00 C ATOM 1113 OE1 GLU A 71 1.302 21.272 3.399 1.00 0.00 O ATOM 1114 OE2 GLU A 71 2.679 22.694 4.404 1.00 0.00 O ATOM 0 H GLU A 71 4.651 21.912 0.725 1.00 0.00 H new ATOM 0 HA GLU A 71 4.167 23.740 2.892 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.765 21.150 2.764 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.166 21.928 4.216 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.421 20.810 1.976 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.742 20.006 3.499 1.00 0.00 H new ATOM 1121 N ALA A 72 7.171 23.514 1.573 1.00 0.00 N ATOM 1122 CA ALA A 72 8.474 24.153 1.514 1.00 0.00 C ATOM 1123 C ALA A 72 8.370 25.555 0.918 1.00 0.00 C ATOM 1124 O ALA A 72 9.223 26.403 1.174 1.00 0.00 O ATOM 1125 CB ALA A 72 9.395 23.276 0.673 1.00 0.00 C ATOM 0 H ALA A 72 7.007 22.837 0.827 1.00 0.00 H new ATOM 0 HA ALA A 72 8.877 24.261 2.521 1.00 0.00 H new ATOM 0 HB1 ALA A 72 10.381 23.736 0.614 1.00 0.00 H new ATOM 0 HB2 ALA A 72 9.481 22.292 1.133 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.982 23.172 -0.331 1.00 0.00 H new ATOM 1131 N ARG A 73 7.325 25.807 0.123 1.00 0.00 N ATOM 1132 CA ARG A 73 7.061 27.126 -0.450 1.00 0.00 C ATOM 1133 C ARG A 73 6.551 28.070 0.627 1.00 0.00 C ATOM 1134 O ARG A 73 7.088 29.159 0.812 1.00 0.00 O ATOM 1135 CB ARG A 73 6.042 26.966 -1.584 1.00 0.00 C ATOM 1136 CG ARG A 73 5.359 28.279 -1.972 1.00 0.00 C ATOM 1137 CD ARG A 73 6.366 29.336 -2.422 1.00 0.00 C ATOM 1138 NE ARG A 73 5.677 30.581 -2.783 1.00 0.00 N ATOM 1139 CZ ARG A 73 5.024 30.767 -3.929 1.00 0.00 C ATOM 1140 NH1 ARG A 73 4.996 29.798 -4.834 1.00 0.00 N ATOM 1141 NH2 ARG A 73 4.402 31.916 -4.171 1.00 0.00 N ATOM 0 H ARG A 73 6.639 25.100 -0.140 1.00 0.00 H new ATOM 0 HA ARG A 73 7.977 27.557 -0.853 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.544 26.553 -2.459 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.283 26.245 -1.282 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.645 28.093 -2.775 1.00 0.00 H new ATOM 0 HG3 ARG A 73 4.791 28.658 -1.122 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.082 29.528 -1.623 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.933 28.966 -3.276 1.00 0.00 H new ATOM 0 HE ARG A 73 5.700 31.351 -2.115 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.473 28.915 -4.651 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.497 29.935 -5.713 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.423 32.663 -3.477 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.904 32.051 -5.051 1.00 0.00 H new ATOM 1155 N ASN A 74 5.508 27.651 1.340 1.00 0.00 N ATOM 1156 CA ASN A 74 4.901 28.449 2.390 1.00 0.00 C ATOM 1157 C ASN A 74 5.832 28.626 3.591 1.00 0.00 C ATOM 1158 O ASN A 74 5.580 29.464 4.453 1.00 0.00 O ATOM 1159 CB ASN A 74 3.571 27.802 2.785 1.00 0.00 C ATOM 1160 CG ASN A 74 2.506 28.064 1.731 1.00 0.00 C ATOM 1161 OD1 ASN A 74 1.996 29.174 1.621 1.00 0.00 O ATOM 1162 ND2 ASN A 74 2.159 27.046 0.951 1.00 0.00 N ATOM 0 H ASN A 74 5.062 26.744 1.201 1.00 0.00 H new ATOM 0 HA ASN A 74 4.716 29.455 2.014 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.708 26.728 2.911 1.00 0.00 H new ATOM 0 HB3 ASN A 74 3.242 28.196 3.746 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.447 27.174 0.232 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.605 26.136 1.071 1.00 0.00 H new ATOM 1169 N ALA A 75 6.916 27.843 3.651 1.00 0.00 N ATOM 1170 CA ALA A 75 7.916 27.956 4.699 1.00 0.00 C ATOM 1171 C ALA A 75 8.959 29.035 4.389 1.00 0.00 C ATOM 1172 O ALA A 75 9.824 29.302 5.221 1.00 0.00 O ATOM 1173 CB ALA A 75 8.590 26.598 4.888 1.00 0.00 C ATOM 0 H ALA A 75 7.117 27.113 2.968 1.00 0.00 H new ATOM 0 HA ALA A 75 7.417 28.258 5.620 1.00 0.00 H new ATOM 0 HB1 ALA A 75 9.343 26.672 5.673 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.842 25.857 5.171 1.00 0.00 H new ATOM 0 HB3 ALA A 75 9.066 26.295 3.956 1.00 0.00 H new ATOM 1179 N VAL A 76 8.892 29.653 3.204 1.00 0.00 N ATOM 1180 CA VAL A 76 9.861 30.660 2.781 1.00 0.00 C ATOM 1181 C VAL A 76 9.194 31.978 2.386 1.00 0.00 C ATOM 1182 O VAL A 76 9.878 32.967 2.134 1.00 0.00 O ATOM 1183 CB VAL A 76 10.748 30.089 1.662 1.00 0.00 C ATOM 1184 CG1 VAL A 76 11.903 31.025 1.302 1.00 0.00 C ATOM 1185 CG2 VAL A 76 11.368 28.764 2.110 1.00 0.00 C ATOM 0 H VAL A 76 8.164 29.466 2.515 1.00 0.00 H new ATOM 0 HA VAL A 76 10.499 30.903 3.631 1.00 0.00 H new ATOM 0 HB VAL A 76 10.102 29.959 0.793 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.500 30.577 0.507 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.504 31.981 0.962 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.529 31.185 2.180 1.00 0.00 H new ATOM 0 HG21 VAL A 76 11.994 28.367 1.311 1.00 0.00 H new ATOM 0 HG22 VAL A 76 11.976 28.929 3.000 1.00 0.00 H new ATOM 0 HG23 VAL A 76 10.576 28.051 2.339 1.00 0.00 H new ATOM 1195 N MET A 77 7.860 32.017 2.330 1.00 0.00 N ATOM 1196 CA MET A 77 7.146 33.237 1.972 1.00 0.00 C ATOM 1197 C MET A 77 7.018 34.215 3.137 1.00 0.00 C ATOM 1198 O MET A 77 6.720 35.388 2.914 1.00 0.00 O ATOM 1199 CB MET A 77 5.756 32.889 1.434 1.00 0.00 C ATOM 1200 CG MET A 77 5.835 32.221 0.064 1.00 0.00 C ATOM 1201 SD MET A 77 6.473 33.300 -1.252 1.00 0.00 S ATOM 1202 CE MET A 77 8.117 32.570 -1.483 1.00 0.00 C ATOM 0 H MET A 77 7.258 31.218 2.528 1.00 0.00 H new ATOM 0 HA MET A 77 7.735 33.734 1.201 1.00 0.00 H new ATOM 0 HB2 MET A 77 5.250 32.225 2.135 1.00 0.00 H new ATOM 0 HB3 MET A 77 5.155 33.796 1.363 1.00 0.00 H new ATOM 0 HG2 MET A 77 6.472 31.340 0.138 1.00 0.00 H new ATOM 0 HG3 MET A 77 4.841 31.873 -0.216 1.00 0.00 H new ATOM 0 HE1 MET A 77 8.794 33.320 -1.894 1.00 0.00 H new ATOM 0 HE2 MET A 77 8.499 32.223 -0.523 1.00 0.00 H new ATOM 0 HE3 MET A 77 8.048 31.728 -2.172 1.00 0.00 H new ATOM 1212 N SER A 78 7.239 33.757 4.373 1.00 0.00 N ATOM 1213 CA SER A 78 7.139 34.628 5.537 1.00 0.00 C ATOM 1214 C SER A 78 7.887 34.062 6.738 1.00 0.00 C ATOM 1215 O SER A 78 8.485 34.816 7.505 1.00 0.00 O ATOM 1216 CB SER A 78 5.664 34.814 5.885 1.00 0.00 C ATOM 1217 OG SER A 78 5.526 35.590 7.057 1.00 0.00 O ATOM 0 H SER A 78 7.487 32.791 4.588 1.00 0.00 H new ATOM 0 HA SER A 78 7.598 35.585 5.291 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.148 35.300 5.057 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.193 33.842 6.028 1.00 0.00 H new ATOM 0 HG SER A 78 4.575 35.701 7.266 1.00 0.00 H new ATOM 1223 N LEU A 79 7.866 32.734 6.914 1.00 0.00 N ATOM 1224 CA LEU A 79 8.555 32.114 8.036 1.00 0.00 C ATOM 1225 C LEU A 79 10.061 32.126 7.798 1.00 0.00 C ATOM 1226 O LEU A 79 10.826 32.429 8.714 1.00 0.00 O ATOM 1227 CB LEU A 79 8.046 30.681 8.230 1.00 0.00 C ATOM 1228 CG LEU A 79 6.532 30.624 8.458 1.00 0.00 C ATOM 1229 CD1 LEU A 79 6.106 29.171 8.654 1.00 0.00 C ATOM 1230 CD2 LEU A 79 6.138 31.426 9.696 1.00 0.00 C ATOM 0 H LEU A 79 7.383 32.081 6.297 1.00 0.00 H new ATOM 0 HA LEU A 79 8.348 32.682 8.943 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.301 30.086 7.353 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.556 30.229 9.081 1.00 0.00 H new ATOM 0 HG LEU A 79 6.035 31.053 7.588 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.029 29.126 8.817 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.363 28.593 7.766 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.621 28.754 9.520 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.059 31.371 9.837 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.640 31.014 10.571 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.434 32.467 9.565 1.00 0.00 H new ATOM 1242 N MET A 80 10.474 31.791 6.571 1.00 0.00 N ATOM 1243 CA MET A 80 11.867 31.782 6.133 1.00 0.00 C ATOM 1244 C MET A 80 12.786 31.018 7.095 1.00 0.00 C ATOM 1245 O MET A 80 13.993 31.235 7.096 1.00 0.00 O ATOM 1246 CB MET A 80 12.352 33.214 5.880 1.00 0.00 C ATOM 1247 CG MET A 80 11.362 33.948 4.972 1.00 0.00 C ATOM 1248 SD MET A 80 11.976 35.514 4.303 1.00 0.00 S ATOM 1249 CE MET A 80 13.091 34.854 3.037 1.00 0.00 C ATOM 0 H MET A 80 9.825 31.511 5.835 1.00 0.00 H new ATOM 0 HA MET A 80 11.915 31.235 5.191 1.00 0.00 H new ATOM 0 HB2 MET A 80 12.453 33.745 6.826 1.00 0.00 H new ATOM 0 HB3 MET A 80 13.339 33.196 5.417 1.00 0.00 H new ATOM 0 HG2 MET A 80 11.095 33.293 4.143 1.00 0.00 H new ATOM 0 HG3 MET A 80 10.448 34.141 5.533 1.00 0.00 H new ATOM 0 HE1 MET A 80 14.095 35.248 3.195 1.00 0.00 H new ATOM 0 HE2 MET A 80 13.114 33.766 3.103 1.00 0.00 H new ATOM 0 HE3 MET A 80 12.736 35.150 2.050 1.00 0.00 H new ATOM 1259 N GLN A 81 12.208 30.124 7.911 1.00 0.00 N ATOM 1260 CA GLN A 81 12.916 29.376 8.939 1.00 0.00 C ATOM 1261 C GLN A 81 13.695 30.318 9.874 1.00 0.00 C ATOM 1262 O GLN A 81 14.676 29.925 10.503 1.00 0.00 O ATOM 1263 CB GLN A 81 13.729 28.246 8.287 1.00 0.00 C ATOM 1264 CG GLN A 81 14.494 27.353 9.272 1.00 0.00 C ATOM 1265 CD GLN A 81 13.613 26.838 10.404 1.00 0.00 C ATOM 1266 OE1 GLN A 81 14.038 26.784 11.555 1.00 0.00 O ATOM 1267 NE2 GLN A 81 12.377 26.453 10.097 1.00 0.00 N ATOM 0 H GLN A 81 11.213 29.902 7.867 1.00 0.00 H new ATOM 0 HA GLN A 81 12.215 28.876 9.607 1.00 0.00 H new ATOM 0 HB2 GLN A 81 13.053 27.622 7.702 1.00 0.00 H new ATOM 0 HB3 GLN A 81 14.441 28.686 7.589 1.00 0.00 H new ATOM 0 HG2 GLN A 81 14.919 26.506 8.734 1.00 0.00 H new ATOM 0 HG3 GLN A 81 15.328 27.914 9.693 1.00 0.00 H new ATOM 0 HE21 GLN A 81 12.050 26.509 9.132 1.00 0.00 H new ATOM 0 HE22 GLN A 81 11.756 26.102 10.826 1.00 0.00 H new ATOM 1276 N SER A 82 13.253 31.580 9.959 1.00 0.00 N ATOM 1277 CA SER A 82 13.886 32.605 10.783 1.00 0.00 C ATOM 1278 C SER A 82 12.855 33.370 11.611 1.00 0.00 C ATOM 1279 O SER A 82 13.220 34.255 12.384 1.00 0.00 O ATOM 1280 CB SER A 82 14.674 33.564 9.890 1.00 0.00 C ATOM 1281 OG SER A 82 15.679 32.867 9.188 1.00 0.00 O ATOM 0 H SER A 82 12.436 31.916 9.449 1.00 0.00 H new ATOM 0 HA SER A 82 14.567 32.116 11.480 1.00 0.00 H new ATOM 0 HB2 SER A 82 14.000 34.051 9.185 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.124 34.350 10.497 1.00 0.00 H new ATOM 0 HG SER A 82 15.267 32.310 8.495 1.00 0.00 H new ATOM 1287 N HIS A 83 11.569 33.033 11.457 1.00 0.00 N ATOM 1288 CA HIS A 83 10.471 33.664 12.180 1.00 0.00 C ATOM 1289 C HIS A 83 9.548 32.627 12.817 1.00 0.00 C ATOM 1290 O HIS A 83 8.472 32.976 13.300 1.00 0.00 O ATOM 1291 CB HIS A 83 9.681 34.580 11.237 1.00 0.00 C ATOM 1292 CG HIS A 83 10.512 35.635 10.555 1.00 0.00 C ATOM 1293 ND1 HIS A 83 10.419 36.012 9.226 1.00 0.00 N ATOM 1294 CD2 HIS A 83 11.491 36.395 11.135 1.00 0.00 C ATOM 1295 CE1 HIS A 83 11.323 36.981 9.004 1.00 0.00 C ATOM 1296 NE2 HIS A 83 11.983 37.233 10.151 1.00 0.00 N ATOM 0 H HIS A 83 11.263 32.302 10.815 1.00 0.00 H new ATOM 0 HA HIS A 83 10.897 34.262 12.986 1.00 0.00 H new ATOM 0 HB2 HIS A 83 9.197 33.968 10.476 1.00 0.00 H new ATOM 0 HB3 HIS A 83 8.889 35.069 11.804 1.00 0.00 H new ATOM 0 HD1 HIS A 83 9.777 35.622 8.536 1.00 0.00 H new ATOM 0 HD2 HIS A 83 11.817 36.349 12.164 1.00 0.00 H new ATOM 0 HE1 HIS A 83 11.493 37.477 8.060 1.00 0.00 H new ATOM 1305 N GLN A 84 9.954 31.355 12.822 1.00 0.00 N ATOM 1306 CA GLN A 84 9.145 30.274 13.373 1.00 0.00 C ATOM 1307 C GLN A 84 8.956 30.426 14.888 1.00 0.00 C ATOM 1308 O GLN A 84 8.056 29.819 15.462 1.00 0.00 O ATOM 1309 CB GLN A 84 9.802 28.938 13.011 1.00 0.00 C ATOM 1310 CG GLN A 84 9.011 27.747 13.565 1.00 0.00 C ATOM 1311 CD GLN A 84 9.495 26.419 12.997 1.00 0.00 C ATOM 1312 OE1 GLN A 84 10.433 26.364 12.208 1.00 0.00 O ATOM 1313 NE2 GLN A 84 8.855 25.322 13.399 1.00 0.00 N ATOM 0 H GLN A 84 10.851 31.050 12.444 1.00 0.00 H new ATOM 0 HA GLN A 84 8.146 30.311 12.939 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.878 28.852 11.927 1.00 0.00 H new ATOM 0 HB3 GLN A 84 10.818 28.914 13.404 1.00 0.00 H new ATOM 0 HG2 GLN A 84 9.099 27.729 14.651 1.00 0.00 H new ATOM 0 HG3 GLN A 84 7.954 27.876 13.333 1.00 0.00 H new ATOM 0 HE21 GLN A 84 8.078 25.397 14.056 1.00 0.00 H new ATOM 0 HE22 GLN A 84 9.142 24.407 13.050 1.00 0.00 H new ATOM 1322 N ASP A 85 9.804 31.236 15.534 1.00 0.00 N ATOM 1323 CA ASP A 85 9.723 31.499 16.966 1.00 0.00 C ATOM 1324 C ASP A 85 8.661 32.523 17.377 1.00 0.00 C ATOM 1325 O ASP A 85 8.524 32.842 18.558 1.00 0.00 O ATOM 1326 CB ASP A 85 11.103 31.805 17.564 1.00 0.00 C ATOM 1327 CG ASP A 85 11.932 32.794 16.739 1.00 0.00 C ATOM 1328 OD1 ASP A 85 11.378 33.400 15.793 1.00 0.00 O ATOM 1329 OD2 ASP A 85 13.132 32.941 17.066 1.00 0.00 O ATOM 0 H ASP A 85 10.568 31.727 15.070 1.00 0.00 H new ATOM 0 HA ASP A 85 9.369 30.567 17.405 1.00 0.00 H new ATOM 0 HB2 ASP A 85 10.972 32.206 18.569 1.00 0.00 H new ATOM 0 HB3 ASP A 85 11.660 30.873 17.663 1.00 0.00 H new ATOM 1334 N LYS A 86 7.909 33.040 16.397 1.00 0.00 N ATOM 1335 CA LYS A 86 6.858 34.024 16.630 1.00 0.00 C ATOM 1336 C LYS A 86 5.710 33.415 17.429 1.00 0.00 C ATOM 1337 O LYS A 86 5.317 34.038 18.440 1.00 0.00 O ATOM 1338 CB LYS A 86 6.379 34.570 15.284 1.00 0.00 C ATOM 1339 CG LYS A 86 5.216 35.555 15.432 1.00 0.00 C ATOM 1340 CD LYS A 86 5.622 36.784 16.247 1.00 0.00 C ATOM 1341 CE LYS A 86 4.472 37.789 16.317 1.00 0.00 C ATOM 1342 NZ LYS A 86 3.292 37.220 17.002 1.00 0.00 N ATOM 0 H LYS A 86 8.018 32.782 15.416 1.00 0.00 H new ATOM 0 HA LYS A 86 7.255 34.848 17.223 1.00 0.00 H new ATOM 0 HB2 LYS A 86 7.209 35.066 14.780 1.00 0.00 H new ATOM 0 HB3 LYS A 86 6.070 33.740 14.648 1.00 0.00 H new ATOM 0 HG2 LYS A 86 4.875 35.868 14.445 1.00 0.00 H new ATOM 0 HG3 LYS A 86 4.376 35.057 15.916 1.00 0.00 H new ATOM 0 HD2 LYS A 86 5.908 36.481 17.254 1.00 0.00 H new ATOM 0 HD3 LYS A 86 6.496 37.254 15.795 1.00 0.00 H new ATOM 0 HE2 LYS A 86 4.802 38.684 16.844 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.195 38.096 15.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.613 37.979 17.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.841 36.513 16.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.591 36.767 17.889 1.00 0.00 H new TER 1356 LYS A 86