USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 902 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 67 THR OG1 : rot 100:sc= -0.365 USER MOD Set 1.2: A 82 MET CE :methyl 160:sc= -0.0585 (180deg=-0.379) USER MOD Set 2.1: A 25 ASN : amide:sc= 1.15 K(o=2.4,f=-6.1) USER MOD Set 2.2: A 92 LYS NZ :NH3+ 165:sc= 1.26 (180deg=0) USER MOD Set 3.1: A 13 THR OG1 : rot 180:sc= 0.301 USER MOD Set 3.2: A 16 THR OG1 : rot 87:sc= 0.32 USER MOD Single : A 1 MET CE :methyl 166:sc= -0.0313 (180deg=-0.316) USER MOD Single : A 1 MET N :NH3+ -156:sc= -0.0749 (180deg=-0.855) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0.705 K(o=0.7,f=-1.2) USER MOD Single : A 11 CYS SG : rot 90:sc= -2.08 USER MOD Single : A 12 HIS : no HE2:sc= 1.15 K(o=1.2,f=-4.8!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 20 GLN : amide:sc= -0.515 X(o=-0.52,f=-0.51) USER MOD Single : A 22 GLN : amide:sc= -0.192 K(o=-0.19,f=-0.95) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 81:sc= 0.0062 USER MOD Single : A 28 LYS NZ :NH3+ 168:sc= -0.0227 (180deg=-0.182) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 138:sc= -2.69! USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -160:sc= -0.675 (180deg=-1.42!) USER MOD Single : A 59 ASN : amide:sc= -0.056 X(o=-0.056,f=-0.48) USER MOD Single : A 64 LYS NZ :NH3+ 168:sc= 0.1 (180deg=-0.0545) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 76:sc= 1.15 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot 59:sc= 0.77 USER MOD Single : A 86 MET CE :methyl -157:sc= -0.197 (180deg=-1.02) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 168:sc= -0.0289 (180deg=-0.194) USER MOD Single : A 101 LYS NZ :NH3+ -142:sc= 1.27 (180deg=0.845) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= 0.753 K(o=0.75,f=-1.5!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 59:sc= 0.174 USER MOD Single : A 111 LYS NZ :NH3+ -163:sc= 1.27 (180deg=0.796) USER MOD Single : A 112 HIS : no HD1:sc= -3.69! C(o=-3.7!,f=-6.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.777 8.866 -24.461 1.00 0.00 N ATOM 2 CA MET A 1 -7.329 8.383 -23.238 1.00 0.00 C ATOM 3 C MET A 1 -6.345 7.504 -22.515 1.00 0.00 C ATOM 4 O MET A 1 -6.077 6.366 -22.919 1.00 0.00 O ATOM 5 CB MET A 1 -8.653 7.661 -23.517 1.00 0.00 C ATOM 6 CG MET A 1 -9.685 8.565 -24.196 1.00 0.00 C ATOM 7 SD MET A 1 -11.233 7.738 -24.626 1.00 0.00 S ATOM 8 CE MET A 1 -11.824 7.256 -23.010 1.00 0.00 C ATOM 0 H1 MET A 1 -7.258 9.747 -24.735 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.761 9.051 -24.334 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.909 8.153 -25.207 1.00 0.00 H new ATOM 0 HA MET A 1 -7.538 9.226 -22.580 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.463 6.794 -24.149 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.064 7.288 -22.579 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.906 9.403 -23.535 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.245 8.981 -25.103 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.871 6.962 -23.078 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.234 6.416 -22.642 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.727 8.096 -22.322 1.00 0.00 H new ATOM 18 N ALA A 2 -5.768 8.049 -21.486 1.00 0.00 N ATOM 19 CA ALA A 2 -4.818 7.345 -20.685 1.00 0.00 C ATOM 20 C ALA A 2 -5.482 6.890 -19.408 1.00 0.00 C ATOM 21 O ALA A 2 -5.887 7.703 -18.572 1.00 0.00 O ATOM 22 CB ALA A 2 -3.612 8.223 -20.387 1.00 0.00 C ATOM 0 H ALA A 2 -5.947 9.005 -21.178 1.00 0.00 H new ATOM 0 HA ALA A 2 -4.463 6.471 -21.232 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -2.900 7.668 -19.776 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -3.136 8.517 -21.322 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -3.935 9.114 -19.849 1.00 0.00 H new ATOM 28 N SER A 3 -5.654 5.613 -19.282 1.00 0.00 N ATOM 29 CA SER A 3 -6.233 5.045 -18.109 1.00 0.00 C ATOM 30 C SER A 3 -5.466 3.802 -17.738 1.00 0.00 C ATOM 31 O SER A 3 -5.796 2.682 -18.152 1.00 0.00 O ATOM 32 CB SER A 3 -7.717 4.775 -18.324 1.00 0.00 C ATOM 33 OG SER A 3 -8.362 5.985 -18.708 1.00 0.00 O ATOM 0 H SER A 3 -5.395 4.931 -19.995 1.00 0.00 H new ATOM 0 HA SER A 3 -6.165 5.745 -17.277 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.853 4.016 -19.094 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.164 4.385 -17.410 1.00 0.00 H new ATOM 0 HG SER A 3 -9.317 5.816 -18.849 1.00 0.00 H new ATOM 39 N GLU A 4 -4.404 4.023 -17.022 1.00 0.00 N ATOM 40 CA GLU A 4 -3.483 2.995 -16.671 1.00 0.00 C ATOM 41 C GLU A 4 -3.778 2.487 -15.275 1.00 0.00 C ATOM 42 O GLU A 4 -3.423 3.120 -14.274 1.00 0.00 O ATOM 43 CB GLU A 4 -2.069 3.555 -16.762 1.00 0.00 C ATOM 44 CG GLU A 4 -0.962 2.557 -16.540 1.00 0.00 C ATOM 45 CD GLU A 4 0.386 3.206 -16.640 1.00 0.00 C ATOM 46 OE1 GLU A 4 0.877 3.411 -17.762 1.00 0.00 O ATOM 47 OE2 GLU A 4 0.983 3.538 -15.603 1.00 0.00 O ATOM 0 H GLU A 4 -4.153 4.943 -16.661 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.580 2.154 -17.358 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.937 4.005 -17.746 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.966 4.355 -16.029 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -1.075 2.098 -15.558 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.038 1.757 -17.276 1.00 0.00 H new ATOM 54 N GLU A 5 -4.472 1.406 -15.209 1.00 0.00 N ATOM 55 CA GLU A 5 -4.802 0.783 -13.964 1.00 0.00 C ATOM 56 C GLU A 5 -4.002 -0.489 -13.760 1.00 0.00 C ATOM 57 O GLU A 5 -3.299 -0.947 -14.675 1.00 0.00 O ATOM 58 CB GLU A 5 -6.330 0.565 -13.816 1.00 0.00 C ATOM 59 CG GLU A 5 -7.077 0.194 -15.110 1.00 0.00 C ATOM 60 CD GLU A 5 -6.485 -0.970 -15.862 1.00 0.00 C ATOM 61 OE1 GLU A 5 -6.832 -2.131 -15.576 1.00 0.00 O ATOM 62 OE2 GLU A 5 -5.658 -0.735 -16.754 1.00 0.00 O ATOM 0 H GLU A 5 -4.835 0.918 -16.028 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.517 1.464 -13.162 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -6.497 -0.224 -13.082 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.771 1.476 -13.411 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.113 -0.039 -14.863 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.094 1.064 -15.767 1.00 0.00 H new ATOM 69 N GLY A 6 -4.071 -1.036 -12.570 1.00 0.00 N ATOM 70 CA GLY A 6 -3.351 -2.256 -12.279 1.00 0.00 C ATOM 71 C GLY A 6 -1.939 -1.998 -11.844 1.00 0.00 C ATOM 72 O GLY A 6 -1.159 -2.927 -11.666 1.00 0.00 O ATOM 0 H GLY A 6 -4.613 -0.661 -11.792 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -3.874 -2.806 -11.497 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.345 -2.891 -13.165 1.00 0.00 H new ATOM 76 N GLN A 7 -1.603 -0.747 -11.663 1.00 0.00 N ATOM 77 CA GLN A 7 -0.275 -0.397 -11.268 1.00 0.00 C ATOM 78 C GLN A 7 -0.210 0.258 -9.916 1.00 0.00 C ATOM 79 O GLN A 7 -1.120 0.992 -9.499 1.00 0.00 O ATOM 80 CB GLN A 7 0.506 0.350 -12.373 1.00 0.00 C ATOM 81 CG GLN A 7 -0.183 1.569 -13.008 1.00 0.00 C ATOM 82 CD GLN A 7 -0.317 2.761 -12.082 1.00 0.00 C ATOM 83 OE1 GLN A 7 0.506 2.969 -11.198 1.00 0.00 O ATOM 84 NE2 GLN A 7 -1.341 3.552 -12.282 1.00 0.00 N ATOM 0 H GLN A 7 -2.236 0.043 -11.785 1.00 0.00 H new ATOM 0 HA GLN A 7 0.257 -1.339 -11.139 1.00 0.00 H new ATOM 0 HB2 GLN A 7 1.457 0.678 -11.954 1.00 0.00 H new ATOM 0 HB3 GLN A 7 0.736 -0.361 -13.166 1.00 0.00 H new ATOM 0 HG2 GLN A 7 0.380 1.871 -13.891 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -1.176 1.274 -13.348 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -2.006 3.347 -13.028 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -1.474 4.373 -11.692 1.00 0.00 H new ATOM 93 N VAL A 8 0.836 -0.063 -9.235 1.00 0.00 N ATOM 94 CA VAL A 8 1.111 0.404 -7.898 1.00 0.00 C ATOM 95 C VAL A 8 2.403 1.212 -7.957 1.00 0.00 C ATOM 96 O VAL A 8 3.322 0.815 -8.676 1.00 0.00 O ATOM 97 CB VAL A 8 1.314 -0.813 -6.957 1.00 0.00 C ATOM 98 CG1 VAL A 8 1.544 -0.373 -5.552 1.00 0.00 C ATOM 99 CG2 VAL A 8 0.132 -1.773 -7.025 1.00 0.00 C ATOM 0 H VAL A 8 1.559 -0.683 -9.600 1.00 0.00 H new ATOM 0 HA VAL A 8 0.286 1.010 -7.522 1.00 0.00 H new ATOM 0 HB VAL A 8 2.202 -1.344 -7.301 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.683 -1.247 -4.915 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.435 0.253 -5.508 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.683 0.197 -5.203 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.307 -2.614 -6.354 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.777 -1.252 -6.725 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.020 -2.140 -8.045 1.00 0.00 H new ATOM 109 N ILE A 9 2.512 2.321 -7.222 1.00 0.00 N ATOM 110 CA ILE A 9 3.725 3.096 -7.328 1.00 0.00 C ATOM 111 C ILE A 9 4.784 2.560 -6.371 1.00 0.00 C ATOM 112 O ILE A 9 4.624 2.596 -5.148 1.00 0.00 O ATOM 113 CB ILE A 9 3.522 4.650 -7.160 1.00 0.00 C ATOM 114 CG1 ILE A 9 2.684 5.246 -8.315 1.00 0.00 C ATOM 115 CG2 ILE A 9 4.863 5.376 -7.081 1.00 0.00 C ATOM 116 CD1 ILE A 9 1.233 4.816 -8.364 1.00 0.00 C ATOM 0 H ILE A 9 1.806 2.681 -6.580 1.00 0.00 H new ATOM 0 HA ILE A 9 4.074 2.972 -8.353 1.00 0.00 H new ATOM 0 HB ILE A 9 2.980 4.796 -6.226 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.719 6.333 -8.241 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.156 4.975 -9.259 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.691 6.446 -6.965 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.428 5.005 -6.226 1.00 0.00 H new ATOM 0 HG23 ILE A 9 5.429 5.196 -7.995 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.741 5.293 -9.212 1.00 0.00 H new ATOM 0 HD12 ILE A 9 1.178 3.733 -8.475 1.00 0.00 H new ATOM 0 HD13 ILE A 9 0.734 5.112 -7.441 1.00 0.00 H new ATOM 128 N ALA A 10 5.839 2.034 -6.923 1.00 0.00 N ATOM 129 CA ALA A 10 6.903 1.473 -6.135 1.00 0.00 C ATOM 130 C ALA A 10 7.944 2.519 -5.846 1.00 0.00 C ATOM 131 O ALA A 10 8.632 2.996 -6.750 1.00 0.00 O ATOM 132 CB ALA A 10 7.516 0.271 -6.833 1.00 0.00 C ATOM 0 H ALA A 10 5.988 1.981 -7.931 1.00 0.00 H new ATOM 0 HA ALA A 10 6.489 1.130 -5.187 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.319 -0.137 -6.218 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.752 -0.491 -6.984 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.918 0.577 -7.799 1.00 0.00 H new ATOM 138 N CYS A 11 8.058 2.884 -4.604 1.00 0.00 N ATOM 139 CA CYS A 11 8.984 3.877 -4.215 1.00 0.00 C ATOM 140 C CYS A 11 10.314 3.234 -3.925 1.00 0.00 C ATOM 141 O CYS A 11 10.444 2.430 -3.004 1.00 0.00 O ATOM 142 CB CYS A 11 8.486 4.588 -2.985 1.00 0.00 C ATOM 143 SG CYS A 11 6.800 5.222 -3.139 1.00 0.00 S ATOM 0 H CYS A 11 7.506 2.495 -3.840 1.00 0.00 H new ATOM 0 HA CYS A 11 9.097 4.600 -5.022 1.00 0.00 H new ATOM 0 HB2 CYS A 11 8.530 3.903 -2.138 1.00 0.00 H new ATOM 0 HB3 CYS A 11 9.157 5.417 -2.760 1.00 0.00 H new ATOM 0 HG CYS A 11 5.957 4.315 -2.743 1.00 0.00 H new ATOM 149 N HIS A 12 11.285 3.557 -4.721 1.00 0.00 N ATOM 150 CA HIS A 12 12.619 3.057 -4.515 1.00 0.00 C ATOM 151 C HIS A 12 13.463 4.127 -3.894 1.00 0.00 C ATOM 152 O HIS A 12 14.660 3.949 -3.661 1.00 0.00 O ATOM 153 CB HIS A 12 13.250 2.537 -5.810 1.00 0.00 C ATOM 154 CG HIS A 12 12.597 1.303 -6.354 1.00 0.00 C ATOM 155 ND1 HIS A 12 13.037 0.040 -6.056 1.00 0.00 N ATOM 156 CD2 HIS A 12 11.532 1.140 -7.179 1.00 0.00 C ATOM 157 CE1 HIS A 12 12.282 -0.849 -6.668 1.00 0.00 C ATOM 158 NE2 HIS A 12 11.362 -0.208 -7.354 1.00 0.00 N ATOM 0 H HIS A 12 11.182 4.171 -5.529 1.00 0.00 H new ATOM 0 HA HIS A 12 12.561 2.205 -3.838 1.00 0.00 H new ATOM 0 HB2 HIS A 12 13.205 3.322 -6.565 1.00 0.00 H new ATOM 0 HB3 HIS A 12 14.305 2.328 -5.630 1.00 0.00 H new ATOM 0 HD1 HIS A 12 13.829 -0.179 -5.452 1.00 0.00 H new ATOM 0 HD2 HIS A 12 10.932 1.925 -7.615 1.00 0.00 H new ATOM 0 HE1 HIS A 12 12.399 -1.921 -6.615 1.00 0.00 H new ATOM 167 N THR A 13 12.822 5.232 -3.601 1.00 0.00 N ATOM 168 CA THR A 13 13.456 6.382 -3.034 1.00 0.00 C ATOM 169 C THR A 13 12.476 7.047 -2.098 1.00 0.00 C ATOM 170 O THR A 13 11.251 6.842 -2.231 1.00 0.00 O ATOM 171 CB THR A 13 13.882 7.393 -4.133 1.00 0.00 C ATOM 172 OG1 THR A 13 12.755 7.716 -4.961 1.00 0.00 O ATOM 173 CG2 THR A 13 15.020 6.853 -4.995 1.00 0.00 C ATOM 0 H THR A 13 11.821 5.353 -3.756 1.00 0.00 H new ATOM 0 HA THR A 13 14.354 6.066 -2.503 1.00 0.00 H new ATOM 0 HB THR A 13 14.244 8.291 -3.633 1.00 0.00 H new ATOM 0 HG1 THR A 13 13.029 8.355 -5.651 1.00 0.00 H new ATOM 0 HG21 THR A 13 15.286 7.592 -5.751 1.00 0.00 H new ATOM 0 HG22 THR A 13 15.887 6.648 -4.367 1.00 0.00 H new ATOM 0 HG23 THR A 13 14.701 5.933 -5.484 1.00 0.00 H new ATOM 181 N VAL A 14 12.976 7.823 -1.169 1.00 0.00 N ATOM 182 CA VAL A 14 12.124 8.509 -0.225 1.00 0.00 C ATOM 183 C VAL A 14 11.408 9.666 -0.913 1.00 0.00 C ATOM 184 O VAL A 14 10.322 10.056 -0.516 1.00 0.00 O ATOM 185 CB VAL A 14 12.921 9.030 1.000 1.00 0.00 C ATOM 186 CG1 VAL A 14 12.004 9.691 2.022 1.00 0.00 C ATOM 187 CG2 VAL A 14 13.718 7.908 1.650 1.00 0.00 C ATOM 0 H VAL A 14 13.973 7.997 -1.045 1.00 0.00 H new ATOM 0 HA VAL A 14 11.390 7.791 0.140 1.00 0.00 H new ATOM 0 HB VAL A 14 13.619 9.784 0.636 1.00 0.00 H new ATOM 0 HG11 VAL A 14 12.595 10.044 2.867 1.00 0.00 H new ATOM 0 HG12 VAL A 14 11.492 10.535 1.559 1.00 0.00 H new ATOM 0 HG13 VAL A 14 11.268 8.967 2.372 1.00 0.00 H new ATOM 0 HG21 VAL A 14 14.267 8.300 2.506 1.00 0.00 H new ATOM 0 HG22 VAL A 14 13.038 7.124 1.984 1.00 0.00 H new ATOM 0 HG23 VAL A 14 14.421 7.494 0.927 1.00 0.00 H new ATOM 197 N GLU A 15 12.013 10.182 -1.974 1.00 0.00 N ATOM 198 CA GLU A 15 11.481 11.270 -2.717 1.00 0.00 C ATOM 199 C GLU A 15 10.130 10.902 -3.312 1.00 0.00 C ATOM 200 O GLU A 15 9.166 11.624 -3.127 1.00 0.00 O ATOM 201 CB GLU A 15 12.445 11.660 -3.832 1.00 0.00 C ATOM 202 CG GLU A 15 13.808 12.214 -3.404 1.00 0.00 C ATOM 203 CD GLU A 15 14.621 11.235 -2.610 1.00 0.00 C ATOM 204 OE1 GLU A 15 14.913 10.143 -3.132 1.00 0.00 O ATOM 205 OE2 GLU A 15 14.911 11.509 -1.447 1.00 0.00 O ATOM 0 H GLU A 15 12.903 9.836 -2.333 1.00 0.00 H new ATOM 0 HA GLU A 15 11.347 12.116 -2.043 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.616 10.783 -4.456 1.00 0.00 H new ATOM 0 HB3 GLU A 15 11.956 12.406 -4.458 1.00 0.00 H new ATOM 0 HG2 GLU A 15 14.369 12.507 -4.292 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.656 13.116 -2.811 1.00 0.00 H new ATOM 212 N THR A 16 10.066 9.759 -4.003 1.00 0.00 N ATOM 213 CA THR A 16 8.822 9.297 -4.600 1.00 0.00 C ATOM 214 C THR A 16 7.789 9.014 -3.502 1.00 0.00 C ATOM 215 O THR A 16 6.617 9.368 -3.632 1.00 0.00 O ATOM 216 CB THR A 16 9.062 8.027 -5.434 1.00 0.00 C ATOM 217 OG1 THR A 16 10.099 8.291 -6.388 1.00 0.00 O ATOM 218 CG2 THR A 16 7.799 7.615 -6.181 1.00 0.00 C ATOM 0 H THR A 16 10.863 9.142 -4.159 1.00 0.00 H new ATOM 0 HA THR A 16 8.441 10.078 -5.258 1.00 0.00 H new ATOM 0 HB THR A 16 9.348 7.217 -4.763 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.972 8.122 -5.977 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.997 6.715 -6.762 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.001 7.416 -5.465 1.00 0.00 H new ATOM 0 HG23 THR A 16 7.494 8.419 -6.851 1.00 0.00 H new ATOM 226 N TRP A 17 8.259 8.413 -2.423 1.00 0.00 N ATOM 227 CA TRP A 17 7.439 8.105 -1.263 1.00 0.00 C ATOM 228 C TRP A 17 6.791 9.380 -0.702 1.00 0.00 C ATOM 229 O TRP A 17 5.570 9.454 -0.525 1.00 0.00 O ATOM 230 CB TRP A 17 8.342 7.415 -0.229 1.00 0.00 C ATOM 231 CG TRP A 17 7.743 7.169 1.111 1.00 0.00 C ATOM 232 CD1 TRP A 17 8.206 7.651 2.295 1.00 0.00 C ATOM 233 CD2 TRP A 17 6.577 6.408 1.418 1.00 0.00 C ATOM 234 NE1 TRP A 17 7.424 7.214 3.318 1.00 0.00 N ATOM 235 CE2 TRP A 17 6.413 6.453 2.814 1.00 0.00 C ATOM 236 CE3 TRP A 17 5.658 5.687 0.659 1.00 0.00 C ATOM 237 CZ2 TRP A 17 5.373 5.807 3.463 1.00 0.00 C ATOM 238 CZ3 TRP A 17 4.623 5.050 1.307 1.00 0.00 C ATOM 239 CH2 TRP A 17 4.490 5.116 2.699 1.00 0.00 C ATOM 0 H TRP A 17 9.232 8.122 -2.326 1.00 0.00 H new ATOM 0 HA TRP A 17 6.619 7.439 -1.533 1.00 0.00 H new ATOM 0 HB2 TRP A 17 8.664 6.458 -0.640 1.00 0.00 H new ATOM 0 HB3 TRP A 17 9.237 8.023 -0.097 1.00 0.00 H new ATOM 0 HD1 TRP A 17 9.070 8.289 2.407 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.571 7.423 4.306 1.00 0.00 H new ATOM 0 HE3 TRP A 17 5.755 5.629 -0.415 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 5.269 5.852 4.537 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 3.901 4.490 0.731 1.00 0.00 H new ATOM 0 HH2 TRP A 17 3.666 4.605 3.175 1.00 0.00 H new ATOM 250 N ASN A 18 7.615 10.370 -0.477 1.00 0.00 N ATOM 251 CA ASN A 18 7.203 11.663 0.046 1.00 0.00 C ATOM 252 C ASN A 18 6.252 12.355 -0.931 1.00 0.00 C ATOM 253 O ASN A 18 5.184 12.847 -0.548 1.00 0.00 O ATOM 254 CB ASN A 18 8.446 12.535 0.234 1.00 0.00 C ATOM 255 CG ASN A 18 8.163 13.883 0.858 1.00 0.00 C ATOM 256 OD1 ASN A 18 7.864 14.870 0.161 1.00 0.00 O ATOM 257 ND2 ASN A 18 8.298 13.950 2.150 1.00 0.00 N ATOM 0 H ASN A 18 8.617 10.306 -0.654 1.00 0.00 H new ATOM 0 HA ASN A 18 6.689 11.518 0.996 1.00 0.00 H new ATOM 0 HB2 ASN A 18 9.161 12.000 0.859 1.00 0.00 H new ATOM 0 HB3 ASN A 18 8.920 12.687 -0.735 1.00 0.00 H new ATOM 0 HD21 ASN A 18 8.158 14.838 2.632 1.00 0.00 H new ATOM 0 HD22 ASN A 18 8.544 13.115 2.681 1.00 0.00 H new ATOM 264 N GLU A 19 6.654 12.359 -2.194 1.00 0.00 N ATOM 265 CA GLU A 19 5.938 13.004 -3.286 1.00 0.00 C ATOM 266 C GLU A 19 4.499 12.483 -3.383 1.00 0.00 C ATOM 267 O GLU A 19 3.546 13.259 -3.547 1.00 0.00 O ATOM 268 CB GLU A 19 6.687 12.704 -4.595 1.00 0.00 C ATOM 269 CG GLU A 19 6.201 13.450 -5.816 1.00 0.00 C ATOM 270 CD GLU A 19 6.382 14.943 -5.693 1.00 0.00 C ATOM 271 OE1 GLU A 19 7.531 15.414 -5.733 1.00 0.00 O ATOM 272 OE2 GLU A 19 5.380 15.665 -5.607 1.00 0.00 O ATOM 0 H GLU A 19 7.513 11.900 -2.496 1.00 0.00 H new ATOM 0 HA GLU A 19 5.894 14.078 -3.105 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.742 12.933 -4.448 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.618 11.635 -4.794 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.740 13.093 -6.694 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.146 13.228 -5.977 1.00 0.00 H new ATOM 279 N GLN A 20 4.346 11.181 -3.270 1.00 0.00 N ATOM 280 CA GLN A 20 3.084 10.566 -3.376 1.00 0.00 C ATOM 281 C GLN A 20 2.207 10.772 -2.152 1.00 0.00 C ATOM 282 O GLN A 20 1.013 11.020 -2.288 1.00 0.00 O ATOM 283 CB GLN A 20 3.258 9.121 -3.692 1.00 0.00 C ATOM 284 CG GLN A 20 3.840 8.861 -5.076 1.00 0.00 C ATOM 285 CD GLN A 20 3.008 9.484 -6.182 1.00 0.00 C ATOM 286 OE1 GLN A 20 3.229 10.633 -6.583 1.00 0.00 O ATOM 287 NE2 GLN A 20 2.054 8.749 -6.680 1.00 0.00 N ATOM 0 H GLN A 20 5.115 10.533 -3.101 1.00 0.00 H new ATOM 0 HA GLN A 20 2.551 11.052 -4.193 1.00 0.00 H new ATOM 0 HB2 GLN A 20 3.910 8.671 -2.943 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.292 8.623 -3.615 1.00 0.00 H new ATOM 0 HG2 GLN A 20 4.854 9.258 -5.121 1.00 0.00 H new ATOM 0 HG3 GLN A 20 3.911 7.786 -5.241 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.899 7.805 -6.326 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.462 9.118 -7.424 1.00 0.00 H new ATOM 296 N LEU A 21 2.786 10.690 -0.964 1.00 0.00 N ATOM 297 CA LEU A 21 2.054 10.873 0.240 1.00 0.00 C ATOM 298 C LEU A 21 1.560 12.279 0.399 1.00 0.00 C ATOM 299 O LEU A 21 0.426 12.497 0.835 1.00 0.00 O ATOM 300 CB LEU A 21 2.893 10.513 1.408 1.00 0.00 C ATOM 301 CG LEU A 21 3.238 9.053 1.623 1.00 0.00 C ATOM 302 CD1 LEU A 21 4.041 8.920 2.894 1.00 0.00 C ATOM 303 CD2 LEU A 21 1.983 8.193 1.694 1.00 0.00 C ATOM 0 H LEU A 21 3.778 10.494 -0.827 1.00 0.00 H new ATOM 0 HA LEU A 21 1.185 10.218 0.186 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.828 11.067 1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.386 10.870 2.304 1.00 0.00 H new ATOM 0 HG LEU A 21 3.827 8.701 0.776 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.294 7.872 3.057 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.957 9.505 2.809 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.453 9.286 3.736 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.264 7.151 1.849 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.359 8.527 2.523 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.426 8.284 0.761 1.00 0.00 H new ATOM 315 N GLN A 22 2.402 13.232 0.075 1.00 0.00 N ATOM 316 CA GLN A 22 2.023 14.617 0.144 1.00 0.00 C ATOM 317 C GLN A 22 0.849 14.856 -0.801 1.00 0.00 C ATOM 318 O GLN A 22 -0.135 15.497 -0.436 1.00 0.00 O ATOM 319 CB GLN A 22 3.210 15.521 -0.212 1.00 0.00 C ATOM 320 CG GLN A 22 2.939 17.007 -0.030 1.00 0.00 C ATOM 321 CD GLN A 22 2.592 17.358 1.408 1.00 0.00 C ATOM 322 OE1 GLN A 22 1.428 17.351 1.802 1.00 0.00 O ATOM 323 NE2 GLN A 22 3.591 17.664 2.197 1.00 0.00 N ATOM 0 H GLN A 22 3.358 13.069 -0.240 1.00 0.00 H new ATOM 0 HA GLN A 22 1.720 14.863 1.162 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.064 15.241 0.405 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.493 15.339 -1.249 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.817 17.575 -0.339 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.119 17.307 -0.683 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.545 17.660 1.837 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.415 17.907 3.172 1.00 0.00 H new ATOM 332 N LYS A 23 0.942 14.279 -1.994 1.00 0.00 N ATOM 333 CA LYS A 23 -0.108 14.393 -2.985 1.00 0.00 C ATOM 334 C LYS A 23 -1.389 13.730 -2.501 1.00 0.00 C ATOM 335 O LYS A 23 -2.462 14.292 -2.643 1.00 0.00 O ATOM 336 CB LYS A 23 0.327 13.778 -4.304 1.00 0.00 C ATOM 337 CG LYS A 23 -0.693 13.915 -5.422 1.00 0.00 C ATOM 338 CD LYS A 23 -0.201 13.266 -6.697 1.00 0.00 C ATOM 339 CE LYS A 23 -1.204 13.428 -7.821 1.00 0.00 C ATOM 340 NZ LYS A 23 -0.730 12.793 -9.064 1.00 0.00 N ATOM 0 H LYS A 23 1.743 13.724 -2.295 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.304 15.454 -3.140 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.260 14.245 -4.619 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.537 12.720 -4.147 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.634 13.456 -5.117 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.897 14.970 -5.604 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.751 13.710 -6.989 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.018 12.206 -6.521 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.156 12.987 -7.526 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.385 14.488 -7.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.440 12.923 -9.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.166 13.231 -9.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.581 11.777 -8.900 1.00 0.00 H new ATOM 354 N ALA A 24 -1.268 12.539 -1.911 1.00 0.00 N ATOM 355 CA ALA A 24 -2.435 11.810 -1.419 1.00 0.00 C ATOM 356 C ALA A 24 -3.150 12.604 -0.340 1.00 0.00 C ATOM 357 O ALA A 24 -4.373 12.602 -0.259 1.00 0.00 O ATOM 358 CB ALA A 24 -2.029 10.441 -0.894 1.00 0.00 C ATOM 0 H ALA A 24 -0.378 12.062 -1.764 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.124 11.669 -2.252 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.912 9.914 -0.532 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.566 9.866 -1.696 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.318 10.561 -0.077 1.00 0.00 H new ATOM 364 N ASN A 25 -2.373 13.301 0.458 1.00 0.00 N ATOM 365 CA ASN A 25 -2.893 14.125 1.537 1.00 0.00 C ATOM 366 C ASN A 25 -3.622 15.319 0.967 1.00 0.00 C ATOM 367 O ASN A 25 -4.776 15.592 1.298 1.00 0.00 O ATOM 368 CB ASN A 25 -1.739 14.649 2.366 1.00 0.00 C ATOM 369 CG ASN A 25 -2.194 15.362 3.624 1.00 0.00 C ATOM 370 OD1 ASN A 25 -3.232 15.033 4.201 1.00 0.00 O ATOM 371 ND2 ASN A 25 -1.442 16.346 4.043 1.00 0.00 N ATOM 0 H ASN A 25 -1.356 13.315 0.380 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.568 13.521 2.143 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.088 13.819 2.640 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.145 15.334 1.761 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.708 16.872 4.876 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.590 16.588 3.537 1.00 0.00 H new ATOM 378 N GLU A 26 -2.930 16.028 0.114 1.00 0.00 N ATOM 379 CA GLU A 26 -3.453 17.241 -0.519 1.00 0.00 C ATOM 380 C GLU A 26 -4.638 16.986 -1.440 1.00 0.00 C ATOM 381 O GLU A 26 -5.634 17.707 -1.390 1.00 0.00 O ATOM 382 CB GLU A 26 -2.351 17.974 -1.263 1.00 0.00 C ATOM 383 CG GLU A 26 -1.285 18.548 -0.357 1.00 0.00 C ATOM 384 CD GLU A 26 -1.860 19.548 0.601 1.00 0.00 C ATOM 385 OE1 GLU A 26 -2.124 20.684 0.185 1.00 0.00 O ATOM 386 OE2 GLU A 26 -2.062 19.220 1.784 1.00 0.00 O ATOM 0 H GLU A 26 -1.980 15.790 -0.172 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.825 17.868 0.291 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.884 17.289 -1.970 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.793 18.782 -1.846 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.806 17.742 0.200 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.511 19.023 -0.959 1.00 0.00 H new ATOM 393 N SER A 27 -4.555 15.953 -2.249 1.00 0.00 N ATOM 394 CA SER A 27 -5.612 15.643 -3.178 1.00 0.00 C ATOM 395 C SER A 27 -6.737 14.863 -2.498 1.00 0.00 C ATOM 396 O SER A 27 -7.758 14.544 -3.128 1.00 0.00 O ATOM 397 CB SER A 27 -5.049 14.867 -4.355 1.00 0.00 C ATOM 398 OG SER A 27 -4.031 15.617 -5.009 1.00 0.00 O ATOM 0 H SER A 27 -3.762 15.313 -2.280 1.00 0.00 H new ATOM 0 HA SER A 27 -6.039 16.577 -3.542 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.643 13.916 -4.010 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.847 14.635 -5.060 1.00 0.00 H new ATOM 0 HG SER A 27 -3.188 15.522 -4.518 1.00 0.00 H new ATOM 404 N LYS A 28 -6.540 14.567 -1.196 1.00 0.00 N ATOM 405 CA LYS A 28 -7.509 13.846 -0.374 1.00 0.00 C ATOM 406 C LYS A 28 -7.795 12.474 -0.964 1.00 0.00 C ATOM 407 O LYS A 28 -8.912 11.962 -0.905 1.00 0.00 O ATOM 408 CB LYS A 28 -8.779 14.663 -0.224 1.00 0.00 C ATOM 409 CG LYS A 28 -8.563 16.014 0.447 1.00 0.00 C ATOM 410 CD LYS A 28 -9.862 16.779 0.579 1.00 0.00 C ATOM 411 CE LYS A 28 -9.653 18.145 1.219 1.00 0.00 C ATOM 412 NZ LYS A 28 -8.756 19.026 0.422 1.00 0.00 N ATOM 0 H LYS A 28 -5.694 14.828 -0.690 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.087 13.695 0.620 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.216 14.823 -1.210 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.502 14.090 0.357 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.124 15.866 1.434 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.851 16.601 -0.134 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.311 16.904 -0.406 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.565 16.201 1.179 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.619 18.635 1.342 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.233 18.013 2.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.809 19.998 0.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.777 18.682 0.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.054 19.015 -0.574 1.00 0.00 H new ATOM 426 N THR A 29 -6.760 11.870 -1.476 1.00 0.00 N ATOM 427 CA THR A 29 -6.844 10.594 -2.100 1.00 0.00 C ATOM 428 C THR A 29 -6.632 9.510 -1.064 1.00 0.00 C ATOM 429 O THR A 29 -5.842 9.654 -0.125 1.00 0.00 O ATOM 430 CB THR A 29 -5.778 10.460 -3.186 1.00 0.00 C ATOM 431 OG1 THR A 29 -5.844 11.600 -4.057 1.00 0.00 O ATOM 432 CG2 THR A 29 -5.981 9.191 -4.017 1.00 0.00 C ATOM 0 H THR A 29 -5.819 12.264 -1.468 1.00 0.00 H new ATOM 0 HA THR A 29 -7.830 10.491 -2.553 1.00 0.00 H new ATOM 0 HB THR A 29 -4.805 10.402 -2.699 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.160 11.519 -4.754 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.205 9.128 -4.780 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.923 8.318 -3.367 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.959 9.223 -4.496 1.00 0.00 H new ATOM 440 N LEU A 30 -7.329 8.460 -1.232 1.00 0.00 N ATOM 441 CA LEU A 30 -7.249 7.340 -0.356 1.00 0.00 C ATOM 442 C LEU A 30 -6.021 6.543 -0.812 1.00 0.00 C ATOM 443 O LEU A 30 -5.873 6.252 -2.004 1.00 0.00 O ATOM 444 CB LEU A 30 -8.578 6.525 -0.460 1.00 0.00 C ATOM 445 CG LEU A 30 -8.837 5.338 0.510 1.00 0.00 C ATOM 446 CD1 LEU A 30 -10.261 4.854 0.334 1.00 0.00 C ATOM 447 CD2 LEU A 30 -7.896 4.171 0.262 1.00 0.00 C ATOM 0 H LEU A 30 -7.991 8.341 -1.998 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.136 7.613 0.693 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.401 7.229 -0.338 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.640 6.134 -1.476 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.664 5.701 1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.449 4.021 1.012 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.952 5.667 0.558 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.409 4.525 -0.695 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.118 3.369 0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.028 3.807 -0.757 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.866 4.499 0.400 1.00 0.00 H new ATOM 459 N VAL A 31 -5.149 6.230 0.099 1.00 0.00 N ATOM 460 CA VAL A 31 -3.911 5.584 -0.245 1.00 0.00 C ATOM 461 C VAL A 31 -3.707 4.300 0.564 1.00 0.00 C ATOM 462 O VAL A 31 -4.014 4.250 1.753 1.00 0.00 O ATOM 463 CB VAL A 31 -2.706 6.576 -0.070 1.00 0.00 C ATOM 464 CG1 VAL A 31 -2.600 7.102 1.352 1.00 0.00 C ATOM 465 CG2 VAL A 31 -1.389 5.964 -0.517 1.00 0.00 C ATOM 0 H VAL A 31 -5.271 6.412 1.095 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.958 5.295 -1.295 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.914 7.424 -0.723 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.753 7.784 1.425 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.516 7.632 1.613 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.455 6.268 2.039 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.586 6.687 -0.377 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.182 5.073 0.076 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.453 5.692 -1.571 1.00 0.00 H new ATOM 475 N VAL A 32 -3.234 3.270 -0.098 1.00 0.00 N ATOM 476 CA VAL A 32 -2.938 2.011 0.536 1.00 0.00 C ATOM 477 C VAL A 32 -1.487 1.665 0.260 1.00 0.00 C ATOM 478 O VAL A 32 -1.062 1.588 -0.901 1.00 0.00 O ATOM 479 CB VAL A 32 -3.846 0.869 0.038 1.00 0.00 C ATOM 480 CG1 VAL A 32 -3.538 -0.431 0.773 1.00 0.00 C ATOM 481 CG2 VAL A 32 -5.317 1.226 0.188 1.00 0.00 C ATOM 0 H VAL A 32 -3.043 3.285 -1.100 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.121 2.118 1.605 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.639 0.725 -1.022 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.192 -1.221 0.404 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.498 -0.709 0.600 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.703 -0.293 1.841 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.930 0.400 -0.172 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.541 1.413 1.238 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.535 2.121 -0.395 1.00 0.00 H new ATOM 491 N VAL A 33 -0.733 1.480 1.300 1.00 0.00 N ATOM 492 CA VAL A 33 0.679 1.232 1.177 1.00 0.00 C ATOM 493 C VAL A 33 1.019 -0.177 1.626 1.00 0.00 C ATOM 494 O VAL A 33 0.556 -0.627 2.665 1.00 0.00 O ATOM 495 CB VAL A 33 1.491 2.235 2.030 1.00 0.00 C ATOM 496 CG1 VAL A 33 2.977 1.999 1.857 1.00 0.00 C ATOM 497 CG2 VAL A 33 1.126 3.673 1.680 1.00 0.00 C ATOM 0 H VAL A 33 -1.075 1.496 2.261 1.00 0.00 H new ATOM 0 HA VAL A 33 0.941 1.353 0.126 1.00 0.00 H new ATOM 0 HB VAL A 33 1.237 2.072 3.077 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.532 2.714 2.464 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.224 0.985 2.173 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.246 2.128 0.809 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.712 4.357 2.294 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.340 3.857 0.627 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.065 3.835 1.868 1.00 0.00 H new ATOM 507 N ASP A 34 1.811 -0.850 0.846 1.00 0.00 N ATOM 508 CA ASP A 34 2.291 -2.177 1.164 1.00 0.00 C ATOM 509 C ASP A 34 3.775 -2.144 1.460 1.00 0.00 C ATOM 510 O ASP A 34 4.591 -1.830 0.578 1.00 0.00 O ATOM 511 CB ASP A 34 1.990 -3.149 0.015 1.00 0.00 C ATOM 512 CG ASP A 34 2.677 -4.500 0.158 1.00 0.00 C ATOM 513 OD1 ASP A 34 2.605 -5.112 1.225 1.00 0.00 O ATOM 514 OD2 ASP A 34 3.324 -4.940 -0.823 1.00 0.00 O ATOM 0 H ASP A 34 2.152 -0.493 -0.047 1.00 0.00 H new ATOM 0 HA ASP A 34 1.770 -2.529 2.054 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.913 -3.304 -0.045 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.299 -2.692 -0.925 1.00 0.00 H new ATOM 519 N PHE A 35 4.120 -2.407 2.700 1.00 0.00 N ATOM 520 CA PHE A 35 5.484 -2.484 3.100 1.00 0.00 C ATOM 521 C PHE A 35 5.891 -3.931 2.970 1.00 0.00 C ATOM 522 O PHE A 35 5.389 -4.796 3.694 1.00 0.00 O ATOM 523 CB PHE A 35 5.625 -2.028 4.547 1.00 0.00 C ATOM 524 CG PHE A 35 5.221 -0.595 4.807 1.00 0.00 C ATOM 525 CD1 PHE A 35 3.914 -0.276 5.151 1.00 0.00 C ATOM 526 CD2 PHE A 35 6.151 0.427 4.718 1.00 0.00 C ATOM 527 CE1 PHE A 35 3.548 1.035 5.398 1.00 0.00 C ATOM 528 CE2 PHE A 35 5.791 1.740 4.966 1.00 0.00 C ATOM 529 CZ PHE A 35 4.487 2.044 5.305 1.00 0.00 C ATOM 0 H PHE A 35 3.452 -2.572 3.453 1.00 0.00 H new ATOM 0 HA PHE A 35 6.114 -1.843 2.484 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.021 -2.680 5.178 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.663 -2.159 4.854 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.175 -1.060 5.227 1.00 0.00 H new ATOM 0 HD2 PHE A 35 7.172 0.196 4.451 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.528 1.270 5.664 1.00 0.00 H new ATOM 0 HE2 PHE A 35 6.528 2.526 4.895 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.202 3.068 5.497 1.00 0.00 H new ATOM 539 N THR A 36 6.821 -4.188 2.108 1.00 0.00 N ATOM 540 CA THR A 36 7.111 -5.531 1.712 1.00 0.00 C ATOM 541 C THR A 36 8.570 -5.625 1.247 1.00 0.00 C ATOM 542 O THR A 36 9.291 -4.649 1.293 1.00 0.00 O ATOM 543 CB THR A 36 6.153 -5.866 0.534 1.00 0.00 C ATOM 544 OG1 THR A 36 6.243 -7.240 0.130 1.00 0.00 O ATOM 545 CG2 THR A 36 6.445 -4.957 -0.657 1.00 0.00 C ATOM 0 H THR A 36 7.400 -3.478 1.659 1.00 0.00 H new ATOM 0 HA THR A 36 6.972 -6.229 2.538 1.00 0.00 H new ATOM 0 HB THR A 36 5.137 -5.695 0.889 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.344 -7.591 -0.040 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.768 -5.201 -1.476 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.301 -3.917 -0.365 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.475 -5.103 -0.982 1.00 0.00 H new ATOM 553 N ALA A 37 9.011 -6.800 0.880 1.00 0.00 N ATOM 554 CA ALA A 37 10.330 -6.980 0.304 1.00 0.00 C ATOM 555 C ALA A 37 10.237 -7.915 -0.867 1.00 0.00 C ATOM 556 O ALA A 37 9.542 -8.937 -0.790 1.00 0.00 O ATOM 557 CB ALA A 37 11.325 -7.505 1.313 1.00 0.00 C ATOM 0 H ALA A 37 8.472 -7.661 0.969 1.00 0.00 H new ATOM 0 HA ALA A 37 10.691 -6.005 -0.024 1.00 0.00 H new ATOM 0 HB1 ALA A 37 12.298 -7.624 0.836 1.00 0.00 H new ATOM 0 HB2 ALA A 37 11.410 -6.801 2.141 1.00 0.00 H new ATOM 0 HB3 ALA A 37 10.986 -8.470 1.691 1.00 0.00 H new ATOM 563 N SER A 38 10.917 -7.587 -1.933 1.00 0.00 N ATOM 564 CA SER A 38 10.927 -8.414 -3.122 1.00 0.00 C ATOM 565 C SER A 38 11.612 -9.776 -2.846 1.00 0.00 C ATOM 566 O SER A 38 11.308 -10.787 -3.491 1.00 0.00 O ATOM 567 CB SER A 38 11.586 -7.649 -4.288 1.00 0.00 C ATOM 568 OG SER A 38 11.588 -8.397 -5.500 1.00 0.00 O ATOM 0 H SER A 38 11.481 -6.740 -2.007 1.00 0.00 H new ATOM 0 HA SER A 38 9.900 -8.638 -3.411 1.00 0.00 H new ATOM 0 HB2 SER A 38 11.057 -6.709 -4.446 1.00 0.00 H new ATOM 0 HB3 SER A 38 12.612 -7.397 -4.019 1.00 0.00 H new ATOM 0 HG SER A 38 12.014 -7.871 -6.209 1.00 0.00 H new ATOM 574 N TRP A 39 12.514 -9.812 -1.868 1.00 0.00 N ATOM 575 CA TRP A 39 13.167 -11.061 -1.496 1.00 0.00 C ATOM 576 C TRP A 39 12.367 -11.848 -0.460 1.00 0.00 C ATOM 577 O TRP A 39 12.827 -12.871 0.048 1.00 0.00 O ATOM 578 CB TRP A 39 14.631 -10.854 -1.047 1.00 0.00 C ATOM 579 CG TRP A 39 14.877 -9.845 0.055 1.00 0.00 C ATOM 580 CD1 TRP A 39 15.475 -8.645 -0.099 1.00 0.00 C ATOM 581 CD2 TRP A 39 14.549 -9.946 1.467 1.00 0.00 C ATOM 582 NE1 TRP A 39 15.567 -7.997 1.101 1.00 0.00 N ATOM 583 CE2 TRP A 39 15.000 -8.761 2.074 1.00 0.00 C ATOM 584 CE3 TRP A 39 13.927 -10.909 2.266 1.00 0.00 C ATOM 585 CZ2 TRP A 39 14.853 -8.514 3.438 1.00 0.00 C ATOM 586 CZ3 TRP A 39 13.779 -10.663 3.616 1.00 0.00 C ATOM 587 CH2 TRP A 39 14.241 -9.473 4.190 1.00 0.00 C ATOM 0 H TRP A 39 12.806 -8.999 -1.325 1.00 0.00 H new ATOM 0 HA TRP A 39 13.198 -11.665 -2.403 1.00 0.00 H new ATOM 0 HB2 TRP A 39 15.024 -11.816 -0.719 1.00 0.00 H new ATOM 0 HB3 TRP A 39 15.213 -10.553 -1.918 1.00 0.00 H new ATOM 0 HD1 TRP A 39 15.831 -8.251 -1.040 1.00 0.00 H new ATOM 0 HE1 TRP A 39 15.995 -7.082 1.245 1.00 0.00 H new ATOM 0 HE3 TRP A 39 13.568 -11.831 1.834 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 15.211 -7.597 3.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 13.298 -11.402 4.240 1.00 0.00 H new ATOM 0 HH2 TRP A 39 14.110 -9.311 5.250 1.00 0.00 H new ATOM 598 N CYS A 40 11.180 -11.382 -0.158 1.00 0.00 N ATOM 599 CA CYS A 40 10.310 -12.048 0.788 1.00 0.00 C ATOM 600 C CYS A 40 9.298 -12.914 0.041 1.00 0.00 C ATOM 601 O CYS A 40 8.550 -12.414 -0.798 1.00 0.00 O ATOM 602 CB CYS A 40 9.610 -11.011 1.681 1.00 0.00 C ATOM 603 SG CYS A 40 8.352 -11.682 2.818 1.00 0.00 S ATOM 0 H CYS A 40 10.787 -10.531 -0.559 1.00 0.00 H new ATOM 0 HA CYS A 40 10.902 -12.698 1.432 1.00 0.00 H new ATOM 0 HB2 CYS A 40 10.367 -10.492 2.269 1.00 0.00 H new ATOM 0 HB3 CYS A 40 9.137 -10.266 1.042 1.00 0.00 H new ATOM 608 N GLY A 41 9.279 -14.202 0.368 1.00 0.00 N ATOM 609 CA GLY A 41 8.436 -15.180 -0.316 1.00 0.00 C ATOM 610 C GLY A 41 6.943 -14.884 -0.239 1.00 0.00 C ATOM 611 O GLY A 41 6.327 -14.573 -1.271 1.00 0.00 O ATOM 0 H GLY A 41 9.848 -14.599 1.116 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.732 -15.227 -1.364 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.622 -16.165 0.112 1.00 0.00 H new ATOM 615 N PRO A 42 6.321 -14.971 0.964 1.00 0.00 N ATOM 616 CA PRO A 42 4.879 -14.704 1.138 1.00 0.00 C ATOM 617 C PRO A 42 4.513 -13.294 0.691 1.00 0.00 C ATOM 618 O PRO A 42 3.422 -13.047 0.184 1.00 0.00 O ATOM 619 CB PRO A 42 4.665 -14.857 2.649 1.00 0.00 C ATOM 620 CG PRO A 42 5.782 -15.732 3.096 1.00 0.00 C ATOM 621 CD PRO A 42 6.956 -15.356 2.245 1.00 0.00 C ATOM 0 HA PRO A 42 4.259 -15.374 0.542 1.00 0.00 H new ATOM 0 HB2 PRO A 42 4.691 -13.891 3.153 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.696 -15.306 2.869 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.000 -15.580 4.153 1.00 0.00 H new ATOM 0 HG3 PRO A 42 5.529 -16.785 2.971 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.523 -14.533 2.679 1.00 0.00 H new ATOM 0 HD3 PRO A 42 7.648 -16.189 2.119 1.00 0.00 H new ATOM 629 N CYS A 43 5.452 -12.392 0.851 1.00 0.00 N ATOM 630 CA CYS A 43 5.279 -11.004 0.467 1.00 0.00 C ATOM 631 C CYS A 43 5.168 -10.881 -1.058 1.00 0.00 C ATOM 632 O CYS A 43 4.426 -10.053 -1.576 1.00 0.00 O ATOM 633 CB CYS A 43 6.473 -10.202 0.938 1.00 0.00 C ATOM 634 SG CYS A 43 6.836 -10.328 2.719 1.00 0.00 S ATOM 0 H CYS A 43 6.366 -12.598 1.254 1.00 0.00 H new ATOM 0 HA CYS A 43 4.365 -10.625 0.924 1.00 0.00 H new ATOM 0 HB2 CYS A 43 7.352 -10.526 0.380 1.00 0.00 H new ATOM 0 HB3 CYS A 43 6.307 -9.154 0.690 1.00 0.00 H new ATOM 639 N ARG A 44 5.911 -11.704 -1.763 1.00 0.00 N ATOM 640 CA ARG A 44 5.893 -11.690 -3.204 1.00 0.00 C ATOM 641 C ARG A 44 4.616 -12.408 -3.665 1.00 0.00 C ATOM 642 O ARG A 44 4.006 -12.042 -4.660 1.00 0.00 O ATOM 643 CB ARG A 44 7.170 -12.394 -3.733 1.00 0.00 C ATOM 644 CG ARG A 44 7.543 -12.136 -5.204 1.00 0.00 C ATOM 645 CD ARG A 44 6.523 -12.639 -6.204 1.00 0.00 C ATOM 646 NE ARG A 44 6.920 -12.310 -7.566 1.00 0.00 N ATOM 647 CZ ARG A 44 6.096 -12.188 -8.608 1.00 0.00 C ATOM 648 NH1 ARG A 44 4.786 -12.400 -8.472 1.00 0.00 N ATOM 649 NH2 ARG A 44 6.594 -11.861 -9.791 1.00 0.00 N ATOM 0 H ARG A 44 6.540 -12.396 -1.355 1.00 0.00 H new ATOM 0 HA ARG A 44 5.888 -10.673 -3.596 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.010 -12.087 -3.110 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.047 -13.468 -3.597 1.00 0.00 H new ATOM 0 HG2 ARG A 44 7.679 -11.064 -5.349 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.502 -12.610 -5.412 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.413 -13.719 -6.104 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.550 -12.198 -5.989 1.00 0.00 H new ATOM 0 HE ARG A 44 7.914 -12.160 -7.738 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.403 -12.659 -7.563 1.00 0.00 H new ATOM 0 HH12 ARG A 44 4.167 -12.303 -9.277 1.00 0.00 H new ATOM 0 HH21 ARG A 44 7.597 -11.706 -9.897 1.00 0.00 H new ATOM 0 HH22 ARG A 44 5.975 -11.764 -10.596 1.00 0.00 H new ATOM 663 N PHE A 45 4.209 -13.406 -2.900 1.00 0.00 N ATOM 664 CA PHE A 45 3.013 -14.186 -3.200 1.00 0.00 C ATOM 665 C PHE A 45 1.746 -13.326 -3.077 1.00 0.00 C ATOM 666 O PHE A 45 0.793 -13.497 -3.829 1.00 0.00 O ATOM 667 CB PHE A 45 2.933 -15.407 -2.261 1.00 0.00 C ATOM 668 CG PHE A 45 1.738 -16.298 -2.488 1.00 0.00 C ATOM 669 CD1 PHE A 45 1.771 -17.288 -3.453 1.00 0.00 C ATOM 670 CD2 PHE A 45 0.582 -16.145 -1.730 1.00 0.00 C ATOM 671 CE1 PHE A 45 0.681 -18.107 -3.662 1.00 0.00 C ATOM 672 CE2 PHE A 45 -0.512 -16.962 -1.938 1.00 0.00 C ATOM 673 CZ PHE A 45 -0.462 -17.943 -2.905 1.00 0.00 C ATOM 0 H PHE A 45 4.695 -13.701 -2.053 1.00 0.00 H new ATOM 0 HA PHE A 45 3.079 -14.535 -4.231 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.840 -16.000 -2.380 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.916 -15.055 -1.230 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.661 -17.421 -4.050 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.539 -15.379 -0.970 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.722 -18.877 -4.418 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.405 -16.832 -1.344 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.316 -18.583 -3.070 1.00 0.00 H new ATOM 683 N ILE A 46 1.755 -12.392 -2.152 1.00 0.00 N ATOM 684 CA ILE A 46 0.589 -11.557 -1.912 1.00 0.00 C ATOM 685 C ILE A 46 0.612 -10.313 -2.849 1.00 0.00 C ATOM 686 O ILE A 46 -0.406 -9.635 -3.049 1.00 0.00 O ATOM 687 CB ILE A 46 0.539 -11.113 -0.407 1.00 0.00 C ATOM 688 CG1 ILE A 46 -0.806 -10.501 -0.034 1.00 0.00 C ATOM 689 CG2 ILE A 46 1.662 -10.155 -0.065 1.00 0.00 C ATOM 690 CD1 ILE A 46 -1.931 -11.492 -0.067 1.00 0.00 C ATOM 0 H ILE A 46 2.554 -12.188 -1.552 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.308 -12.137 -2.131 1.00 0.00 H new ATOM 0 HB ILE A 46 0.671 -12.020 0.183 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.738 -10.070 0.965 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.029 -9.683 -0.719 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.592 -9.872 0.985 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.621 -10.639 -0.247 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.582 -9.264 -0.687 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.862 -10.995 0.208 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.023 -11.905 -1.072 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.727 -12.297 0.639 1.00 0.00 H new ATOM 702 N ALA A 47 1.776 -10.068 -3.451 1.00 0.00 N ATOM 703 CA ALA A 47 2.005 -8.912 -4.327 1.00 0.00 C ATOM 704 C ALA A 47 1.012 -8.804 -5.530 1.00 0.00 C ATOM 705 O ALA A 47 0.455 -7.718 -5.754 1.00 0.00 O ATOM 706 CB ALA A 47 3.458 -8.860 -4.796 1.00 0.00 C ATOM 0 H ALA A 47 2.594 -10.668 -3.346 1.00 0.00 H new ATOM 0 HA ALA A 47 1.800 -8.036 -3.712 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.601 -7.995 -5.443 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.117 -8.779 -3.931 1.00 0.00 H new ATOM 0 HB3 ALA A 47 3.695 -9.769 -5.349 1.00 0.00 H new ATOM 712 N PRO A 48 0.762 -9.900 -6.325 1.00 0.00 N ATOM 713 CA PRO A 48 -0.169 -9.849 -7.475 1.00 0.00 C ATOM 714 C PRO A 48 -1.576 -9.456 -7.065 1.00 0.00 C ATOM 715 O PRO A 48 -2.315 -8.861 -7.844 1.00 0.00 O ATOM 716 CB PRO A 48 -0.169 -11.285 -8.009 1.00 0.00 C ATOM 717 CG PRO A 48 0.355 -12.102 -6.891 1.00 0.00 C ATOM 718 CD PRO A 48 1.361 -11.242 -6.207 1.00 0.00 C ATOM 0 HA PRO A 48 0.143 -9.103 -8.206 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -1.172 -11.601 -8.294 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.459 -11.378 -8.895 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -0.444 -12.391 -6.208 1.00 0.00 H new ATOM 0 HG3 PRO A 48 0.810 -13.023 -7.257 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.504 -11.533 -5.166 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.337 -11.295 -6.690 1.00 0.00 H new ATOM 726 N PHE A 49 -1.936 -9.775 -5.844 1.00 0.00 N ATOM 727 CA PHE A 49 -3.250 -9.460 -5.336 1.00 0.00 C ATOM 728 C PHE A 49 -3.366 -7.961 -5.065 1.00 0.00 C ATOM 729 O PHE A 49 -4.396 -7.359 -5.303 1.00 0.00 O ATOM 730 CB PHE A 49 -3.564 -10.282 -4.078 1.00 0.00 C ATOM 731 CG PHE A 49 -4.934 -10.022 -3.528 1.00 0.00 C ATOM 732 CD1 PHE A 49 -6.054 -10.503 -4.180 1.00 0.00 C ATOM 733 CD2 PHE A 49 -5.103 -9.278 -2.372 1.00 0.00 C ATOM 734 CE1 PHE A 49 -7.313 -10.254 -3.691 1.00 0.00 C ATOM 735 CE2 PHE A 49 -6.363 -9.023 -1.880 1.00 0.00 C ATOM 736 CZ PHE A 49 -7.469 -9.513 -2.542 1.00 0.00 C ATOM 0 H PHE A 49 -1.331 -10.257 -5.179 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.988 -9.727 -6.092 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.469 -11.342 -4.312 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -2.823 -10.057 -3.311 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.938 -11.081 -5.085 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.238 -8.894 -1.852 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -8.180 -10.639 -4.208 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.485 -8.441 -0.978 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.459 -9.315 -2.158 1.00 0.00 H new ATOM 746 N PHE A 50 -2.290 -7.370 -4.605 1.00 0.00 N ATOM 747 CA PHE A 50 -2.254 -5.938 -4.323 1.00 0.00 C ATOM 748 C PHE A 50 -2.260 -5.169 -5.653 1.00 0.00 C ATOM 749 O PHE A 50 -2.833 -4.084 -5.762 1.00 0.00 O ATOM 750 CB PHE A 50 -1.008 -5.624 -3.478 1.00 0.00 C ATOM 751 CG PHE A 50 -0.961 -4.241 -2.898 1.00 0.00 C ATOM 752 CD1 PHE A 50 -1.740 -3.928 -1.800 1.00 0.00 C ATOM 753 CD2 PHE A 50 -0.129 -3.268 -3.420 1.00 0.00 C ATOM 754 CE1 PHE A 50 -1.697 -2.678 -1.236 1.00 0.00 C ATOM 755 CE2 PHE A 50 -0.085 -2.006 -2.855 1.00 0.00 C ATOM 756 CZ PHE A 50 -0.869 -1.713 -1.761 1.00 0.00 C ATOM 0 H PHE A 50 -1.414 -7.857 -4.413 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.130 -5.629 -3.752 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.951 -6.345 -2.662 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.123 -5.772 -4.096 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.393 -4.679 -1.380 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.491 -3.495 -4.275 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.314 -2.451 -0.379 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.564 -1.250 -3.272 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.834 -0.729 -1.317 1.00 0.00 H new ATOM 766 N ALA A 51 -1.636 -5.756 -6.666 1.00 0.00 N ATOM 767 CA ALA A 51 -1.649 -5.179 -8.009 1.00 0.00 C ATOM 768 C ALA A 51 -3.046 -5.330 -8.614 1.00 0.00 C ATOM 769 O ALA A 51 -3.513 -4.482 -9.377 1.00 0.00 O ATOM 770 CB ALA A 51 -0.608 -5.857 -8.889 1.00 0.00 C ATOM 0 H ALA A 51 -1.115 -6.629 -6.586 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.400 -4.120 -7.947 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.631 -5.416 -9.885 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.382 -5.719 -8.454 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.829 -6.922 -8.959 1.00 0.00 H new ATOM 776 N ASP A 52 -3.710 -6.413 -8.234 1.00 0.00 N ATOM 777 CA ASP A 52 -5.078 -6.723 -8.664 1.00 0.00 C ATOM 778 C ASP A 52 -6.021 -5.689 -8.111 1.00 0.00 C ATOM 779 O ASP A 52 -6.948 -5.227 -8.786 1.00 0.00 O ATOM 780 CB ASP A 52 -5.485 -8.076 -8.126 1.00 0.00 C ATOM 781 CG ASP A 52 -6.827 -8.503 -8.628 1.00 0.00 C ATOM 782 OD1 ASP A 52 -6.919 -8.970 -9.772 1.00 0.00 O ATOM 783 OD2 ASP A 52 -7.831 -8.333 -7.915 1.00 0.00 O ATOM 0 H ASP A 52 -3.313 -7.115 -7.609 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.117 -6.727 -9.753 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.739 -8.818 -8.412 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.500 -8.042 -7.037 1.00 0.00 H new ATOM 788 N LEU A 53 -5.778 -5.351 -6.874 1.00 0.00 N ATOM 789 CA LEU A 53 -6.486 -4.320 -6.174 1.00 0.00 C ATOM 790 C LEU A 53 -6.353 -2.992 -6.910 1.00 0.00 C ATOM 791 O LEU A 53 -7.341 -2.292 -7.129 1.00 0.00 O ATOM 792 CB LEU A 53 -5.935 -4.232 -4.754 1.00 0.00 C ATOM 793 CG LEU A 53 -6.210 -5.404 -3.822 1.00 0.00 C ATOM 794 CD1 LEU A 53 -5.606 -5.143 -2.449 1.00 0.00 C ATOM 795 CD2 LEU A 53 -7.703 -5.667 -3.702 1.00 0.00 C ATOM 0 H LEU A 53 -5.058 -5.802 -6.309 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.549 -4.556 -6.128 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.855 -4.100 -4.819 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.339 -3.332 -4.291 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.743 -6.292 -4.248 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.811 -5.990 -1.794 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.528 -5.011 -2.545 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.046 -4.241 -2.024 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.871 -6.509 -3.031 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.198 -4.781 -3.304 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.112 -5.900 -4.685 1.00 0.00 H new ATOM 807 N ALA A 54 -5.142 -2.678 -7.321 1.00 0.00 N ATOM 808 CA ALA A 54 -4.862 -1.480 -8.099 1.00 0.00 C ATOM 809 C ALA A 54 -5.597 -1.523 -9.436 1.00 0.00 C ATOM 810 O ALA A 54 -5.949 -0.496 -10.009 1.00 0.00 O ATOM 811 CB ALA A 54 -3.368 -1.326 -8.316 1.00 0.00 C ATOM 0 H ALA A 54 -4.318 -3.246 -7.126 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.220 -0.615 -7.540 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.176 -0.425 -8.899 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.866 -1.247 -7.351 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.987 -2.194 -8.853 1.00 0.00 H new ATOM 817 N LYS A 55 -5.788 -2.726 -9.942 1.00 0.00 N ATOM 818 CA LYS A 55 -6.453 -2.937 -11.206 1.00 0.00 C ATOM 819 C LYS A 55 -7.945 -2.575 -11.129 1.00 0.00 C ATOM 820 O LYS A 55 -8.523 -2.107 -12.105 1.00 0.00 O ATOM 821 CB LYS A 55 -6.214 -4.371 -11.700 1.00 0.00 C ATOM 822 CG LYS A 55 -6.688 -4.651 -13.110 1.00 0.00 C ATOM 823 CD LYS A 55 -6.299 -6.055 -13.539 1.00 0.00 C ATOM 824 CE LYS A 55 -6.703 -6.326 -14.973 1.00 0.00 C ATOM 825 NZ LYS A 55 -6.347 -7.695 -15.403 1.00 0.00 N ATOM 0 H LYS A 55 -5.484 -3.585 -9.484 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.020 -2.262 -11.944 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.147 -4.586 -11.643 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.715 -5.061 -11.021 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.771 -4.536 -13.165 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.255 -3.923 -13.796 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.222 -6.185 -13.432 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.774 -6.783 -12.882 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.778 -6.181 -15.080 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.218 -5.603 -15.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.642 -7.836 -16.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.318 -7.826 -15.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.830 -8.387 -14.795 1.00 0.00 H new ATOM 839 N LYS A 56 -8.563 -2.782 -9.976 1.00 0.00 N ATOM 840 CA LYS A 56 -9.959 -2.357 -9.817 1.00 0.00 C ATOM 841 C LYS A 56 -10.118 -0.999 -9.160 1.00 0.00 C ATOM 842 O LYS A 56 -11.181 -0.375 -9.276 1.00 0.00 O ATOM 843 CB LYS A 56 -10.887 -3.389 -9.151 1.00 0.00 C ATOM 844 CG LYS A 56 -11.512 -4.424 -10.099 1.00 0.00 C ATOM 845 CD LYS A 56 -10.530 -5.418 -10.684 1.00 0.00 C ATOM 846 CE LYS A 56 -9.951 -6.302 -9.608 1.00 0.00 C ATOM 847 NZ LYS A 56 -9.137 -7.374 -10.170 1.00 0.00 N ATOM 0 H LYS A 56 -8.144 -3.225 -9.158 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.291 -2.269 -10.851 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -10.322 -3.919 -8.384 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.690 -2.855 -8.643 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.285 -4.971 -9.559 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -12.006 -3.898 -10.916 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.031 -6.031 -11.433 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.727 -4.885 -11.193 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.344 -5.701 -8.931 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.759 -6.731 -9.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.038 -8.138 -9.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.595 -7.746 -11.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.196 -7.004 -10.414 1.00 0.00 H new ATOM 861 N LEU A 57 -9.100 -0.531 -8.474 1.00 0.00 N ATOM 862 CA LEU A 57 -9.179 0.731 -7.805 1.00 0.00 C ATOM 863 C LEU A 57 -8.135 1.737 -8.276 1.00 0.00 C ATOM 864 O LEU A 57 -7.054 1.821 -7.725 1.00 0.00 O ATOM 865 CB LEU A 57 -9.122 0.536 -6.306 1.00 0.00 C ATOM 866 CG LEU A 57 -10.340 -0.133 -5.690 1.00 0.00 C ATOM 867 CD1 LEU A 57 -10.071 -0.515 -4.244 1.00 0.00 C ATOM 868 CD2 LEU A 57 -11.539 0.804 -5.751 1.00 0.00 C ATOM 0 H LEU A 57 -8.208 -1.014 -8.369 1.00 0.00 H new ATOM 0 HA LEU A 57 -10.143 1.166 -8.070 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.241 -0.060 -6.067 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.986 1.509 -5.835 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.555 -1.037 -6.259 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.956 -0.992 -3.823 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.230 -1.207 -4.201 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.833 0.380 -3.669 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.406 0.315 -5.307 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -11.316 1.717 -5.199 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -11.755 1.052 -6.790 1.00 0.00 H new ATOM 880 N PRO A 58 -8.449 2.484 -9.340 1.00 0.00 N ATOM 881 CA PRO A 58 -7.581 3.555 -9.849 1.00 0.00 C ATOM 882 C PRO A 58 -7.736 4.846 -9.019 1.00 0.00 C ATOM 883 O PRO A 58 -6.902 5.752 -9.082 1.00 0.00 O ATOM 884 CB PRO A 58 -8.118 3.779 -11.263 1.00 0.00 C ATOM 885 CG PRO A 58 -9.567 3.442 -11.160 1.00 0.00 C ATOM 886 CD PRO A 58 -9.651 2.305 -10.179 1.00 0.00 C ATOM 0 HA PRO A 58 -6.523 3.297 -9.808 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.971 4.809 -11.587 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.611 3.142 -11.987 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.145 4.300 -10.816 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.972 3.153 -12.130 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.565 2.353 -9.587 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.648 1.339 -10.683 1.00 0.00 H new ATOM 894 N ASN A 59 -8.817 4.918 -8.251 1.00 0.00 N ATOM 895 CA ASN A 59 -9.112 6.081 -7.404 1.00 0.00 C ATOM 896 C ASN A 59 -8.355 5.963 -6.080 1.00 0.00 C ATOM 897 O ASN A 59 -8.322 6.883 -5.259 1.00 0.00 O ATOM 898 CB ASN A 59 -10.626 6.174 -7.158 1.00 0.00 C ATOM 899 CG ASN A 59 -11.061 7.388 -6.345 1.00 0.00 C ATOM 900 OD1 ASN A 59 -10.433 8.450 -6.390 1.00 0.00 O ATOM 901 ND2 ASN A 59 -12.132 7.241 -5.601 1.00 0.00 N ATOM 0 H ASN A 59 -9.516 4.177 -8.194 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.786 6.990 -7.909 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -11.137 6.195 -8.121 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -10.954 5.271 -6.643 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -12.471 8.019 -5.035 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -12.626 6.349 -5.589 1.00 0.00 H new ATOM 908 N VAL A 60 -7.745 4.829 -5.887 1.00 0.00 N ATOM 909 CA VAL A 60 -6.970 4.579 -4.717 1.00 0.00 C ATOM 910 C VAL A 60 -5.517 4.526 -5.116 1.00 0.00 C ATOM 911 O VAL A 60 -5.162 3.880 -6.101 1.00 0.00 O ATOM 912 CB VAL A 60 -7.388 3.255 -4.024 1.00 0.00 C ATOM 913 CG1 VAL A 60 -6.517 2.975 -2.811 1.00 0.00 C ATOM 914 CG2 VAL A 60 -8.857 3.305 -3.617 1.00 0.00 C ATOM 0 H VAL A 60 -7.775 4.050 -6.545 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.139 5.381 -3.998 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.249 2.444 -4.739 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.832 2.041 -2.345 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.476 2.892 -3.122 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.618 3.790 -2.095 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -9.132 2.368 -3.133 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -9.015 4.132 -2.924 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -9.475 3.451 -4.503 1.00 0.00 H new ATOM 924 N LEU A 61 -4.696 5.213 -4.388 1.00 0.00 N ATOM 925 CA LEU A 61 -3.298 5.243 -4.679 1.00 0.00 C ATOM 926 C LEU A 61 -2.621 4.110 -3.937 1.00 0.00 C ATOM 927 O LEU A 61 -2.693 4.034 -2.716 1.00 0.00 O ATOM 928 CB LEU A 61 -2.698 6.595 -4.267 1.00 0.00 C ATOM 929 CG LEU A 61 -1.209 6.807 -4.567 1.00 0.00 C ATOM 930 CD1 LEU A 61 -0.941 6.723 -6.062 1.00 0.00 C ATOM 931 CD2 LEU A 61 -0.739 8.143 -4.016 1.00 0.00 C ATOM 0 H LEU A 61 -4.974 5.767 -3.578 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.141 5.119 -5.751 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.261 7.384 -4.766 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.851 6.723 -3.195 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.647 6.013 -4.075 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.122 6.876 -6.250 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.237 5.740 -6.430 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.516 7.492 -6.578 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.320 8.276 -4.238 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.311 8.948 -4.477 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.889 8.164 -2.937 1.00 0.00 H new ATOM 943 N PHE A 62 -2.013 3.220 -4.659 1.00 0.00 N ATOM 944 CA PHE A 62 -1.317 2.120 -4.048 1.00 0.00 C ATOM 945 C PHE A 62 0.167 2.342 -4.160 1.00 0.00 C ATOM 946 O PHE A 62 0.658 2.857 -5.174 1.00 0.00 O ATOM 947 CB PHE A 62 -1.700 0.784 -4.674 1.00 0.00 C ATOM 948 CG PHE A 62 -3.155 0.406 -4.532 1.00 0.00 C ATOM 949 CD1 PHE A 62 -4.092 0.832 -5.450 1.00 0.00 C ATOM 950 CD2 PHE A 62 -3.572 -0.388 -3.479 1.00 0.00 C ATOM 951 CE1 PHE A 62 -5.418 0.475 -5.322 1.00 0.00 C ATOM 952 CE2 PHE A 62 -4.894 -0.747 -3.344 1.00 0.00 C ATOM 953 CZ PHE A 62 -5.820 -0.316 -4.267 1.00 0.00 C ATOM 0 H PHE A 62 -1.982 3.231 -5.678 1.00 0.00 H new ATOM 0 HA PHE A 62 -1.607 2.078 -2.998 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.449 0.812 -5.734 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.091 0.001 -4.223 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -3.784 1.452 -6.279 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -2.850 -0.731 -2.753 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -6.141 0.815 -6.048 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.204 -1.366 -2.515 1.00 0.00 H new ATOM 0 HZ PHE A 62 -6.858 -0.597 -4.165 1.00 0.00 H new ATOM 963 N LEU A 63 0.870 1.968 -3.138 1.00 0.00 N ATOM 964 CA LEU A 63 2.299 2.165 -3.055 1.00 0.00 C ATOM 965 C LEU A 63 3.019 0.938 -2.528 1.00 0.00 C ATOM 966 O LEU A 63 2.562 0.303 -1.580 1.00 0.00 O ATOM 967 CB LEU A 63 2.573 3.380 -2.182 1.00 0.00 C ATOM 968 CG LEU A 63 2.206 4.718 -2.810 1.00 0.00 C ATOM 969 CD1 LEU A 63 2.057 5.782 -1.741 1.00 0.00 C ATOM 970 CD2 LEU A 63 3.311 5.144 -3.735 1.00 0.00 C ATOM 0 H LEU A 63 0.469 1.509 -2.320 1.00 0.00 H new ATOM 0 HA LEU A 63 2.688 2.335 -4.059 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.021 3.270 -1.248 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.633 3.394 -1.926 1.00 0.00 H new ATOM 0 HG LEU A 63 1.265 4.603 -3.348 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.795 6.732 -2.207 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.271 5.490 -1.044 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.998 5.890 -1.202 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.056 6.102 -4.189 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.239 5.245 -3.172 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.441 4.395 -4.516 1.00 0.00 H new ATOM 982 N LYS A 64 4.129 0.606 -3.154 1.00 0.00 N ATOM 983 CA LYS A 64 4.962 -0.467 -2.747 1.00 0.00 C ATOM 984 C LYS A 64 6.169 0.108 -2.067 1.00 0.00 C ATOM 985 O LYS A 64 6.924 0.877 -2.683 1.00 0.00 O ATOM 986 CB LYS A 64 5.450 -1.240 -3.969 1.00 0.00 C ATOM 987 CG LYS A 64 4.394 -1.959 -4.777 1.00 0.00 C ATOM 988 CD LYS A 64 3.767 -3.130 -4.035 1.00 0.00 C ATOM 989 CE LYS A 64 4.767 -4.264 -3.830 1.00 0.00 C ATOM 990 NZ LYS A 64 4.145 -5.446 -3.207 1.00 0.00 N ATOM 0 H LYS A 64 4.471 1.098 -3.979 1.00 0.00 H new ATOM 0 HA LYS A 64 4.402 -1.128 -2.085 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.969 -0.544 -4.628 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.185 -1.974 -3.638 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.612 -1.251 -5.053 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.839 -2.321 -5.704 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.396 -2.792 -3.068 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.908 -3.499 -4.595 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.197 -4.546 -4.791 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.588 -3.914 -3.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.796 -6.255 -3.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.940 -5.244 -2.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.260 -5.674 -3.703 1.00 0.00 H new ATOM 1004 N VAL A 65 6.342 -0.209 -0.830 1.00 0.00 N ATOM 1005 CA VAL A 65 7.519 0.190 -0.132 1.00 0.00 C ATOM 1006 C VAL A 65 8.315 -1.036 0.133 1.00 0.00 C ATOM 1007 O VAL A 65 7.870 -1.939 0.849 1.00 0.00 O ATOM 1008 CB VAL A 65 7.206 0.909 1.204 1.00 0.00 C ATOM 1009 CG1 VAL A 65 8.492 1.258 1.953 1.00 0.00 C ATOM 1010 CG2 VAL A 65 6.412 2.162 0.941 1.00 0.00 C ATOM 0 H VAL A 65 5.677 -0.748 -0.275 1.00 0.00 H new ATOM 0 HA VAL A 65 8.067 0.904 -0.746 1.00 0.00 H new ATOM 0 HB VAL A 65 6.620 0.232 1.825 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.244 1.762 2.887 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.046 0.345 2.169 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.104 1.917 1.337 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.196 2.661 1.886 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.988 2.830 0.301 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.476 1.903 0.446 1.00 0.00 H new ATOM 1020 N ASP A 66 9.467 -1.093 -0.436 1.00 0.00 N ATOM 1021 CA ASP A 66 10.300 -2.221 -0.251 1.00 0.00 C ATOM 1022 C ASP A 66 11.189 -1.964 0.941 1.00 0.00 C ATOM 1023 O ASP A 66 11.869 -0.947 1.015 1.00 0.00 O ATOM 1024 CB ASP A 66 11.093 -2.521 -1.500 1.00 0.00 C ATOM 1025 CG ASP A 66 11.865 -3.814 -1.410 1.00 0.00 C ATOM 1026 OD1 ASP A 66 12.973 -3.808 -0.852 1.00 0.00 O ATOM 1027 OD2 ASP A 66 11.366 -4.862 -1.918 1.00 0.00 O ATOM 0 H ASP A 66 9.853 -0.365 -1.037 1.00 0.00 H new ATOM 0 HA ASP A 66 9.695 -3.107 -0.057 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.415 -2.567 -2.352 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.787 -1.702 -1.689 1.00 0.00 H new ATOM 1032 N THR A 67 11.140 -2.852 1.875 1.00 0.00 N ATOM 1033 CA THR A 67 11.836 -2.728 3.136 1.00 0.00 C ATOM 1034 C THR A 67 13.352 -2.915 3.017 1.00 0.00 C ATOM 1035 O THR A 67 14.100 -2.523 3.907 1.00 0.00 O ATOM 1036 CB THR A 67 11.223 -3.672 4.191 1.00 0.00 C ATOM 1037 OG1 THR A 67 11.126 -4.998 3.640 1.00 0.00 O ATOM 1038 CG2 THR A 67 9.830 -3.204 4.597 1.00 0.00 C ATOM 0 H THR A 67 10.602 -3.714 1.792 1.00 0.00 H new ATOM 0 HA THR A 67 11.697 -1.700 3.470 1.00 0.00 H new ATOM 0 HB THR A 67 11.865 -3.669 5.072 1.00 0.00 H new ATOM 0 HG1 THR A 67 11.874 -5.542 3.964 1.00 0.00 H new ATOM 0 HG21 THR A 67 9.420 -3.886 5.342 1.00 0.00 H new ATOM 0 HG22 THR A 67 9.892 -2.201 5.019 1.00 0.00 H new ATOM 0 HG23 THR A 67 9.181 -3.190 3.721 1.00 0.00 H new ATOM 1046 N ASP A 68 13.794 -3.508 1.931 1.00 0.00 N ATOM 1047 CA ASP A 68 15.220 -3.650 1.683 1.00 0.00 C ATOM 1048 C ASP A 68 15.710 -2.345 1.130 1.00 0.00 C ATOM 1049 O ASP A 68 16.831 -1.897 1.388 1.00 0.00 O ATOM 1050 CB ASP A 68 15.461 -4.739 0.652 1.00 0.00 C ATOM 1051 CG ASP A 68 16.923 -4.986 0.371 1.00 0.00 C ATOM 1052 OD1 ASP A 68 17.515 -4.307 -0.510 1.00 0.00 O ATOM 1053 OD2 ASP A 68 17.494 -5.885 0.993 1.00 0.00 O ATOM 0 H ASP A 68 13.194 -3.900 1.205 1.00 0.00 H new ATOM 0 HA ASP A 68 15.740 -3.913 2.604 1.00 0.00 H new ATOM 0 HB2 ASP A 68 15.004 -5.666 1.000 1.00 0.00 H new ATOM 0 HB3 ASP A 68 14.961 -4.466 -0.277 1.00 0.00 H new ATOM 1058 N GLU A 69 14.841 -1.749 0.371 1.00 0.00 N ATOM 1059 CA GLU A 69 15.075 -0.508 -0.292 1.00 0.00 C ATOM 1060 C GLU A 69 15.064 0.625 0.711 1.00 0.00 C ATOM 1061 O GLU A 69 16.067 1.301 0.925 1.00 0.00 O ATOM 1062 CB GLU A 69 13.950 -0.283 -1.266 1.00 0.00 C ATOM 1063 CG GLU A 69 14.208 0.777 -2.292 1.00 0.00 C ATOM 1064 CD GLU A 69 15.333 0.417 -3.212 1.00 0.00 C ATOM 1065 OE1 GLU A 69 16.507 0.604 -2.841 1.00 0.00 O ATOM 1066 OE2 GLU A 69 15.061 -0.059 -4.317 1.00 0.00 O ATOM 0 H GLU A 69 13.913 -2.132 0.191 1.00 0.00 H new ATOM 0 HA GLU A 69 16.041 -0.538 -0.797 1.00 0.00 H new ATOM 0 HB2 GLU A 69 13.740 -1.221 -1.779 1.00 0.00 H new ATOM 0 HB3 GLU A 69 13.053 -0.017 -0.707 1.00 0.00 H new ATOM 0 HG2 GLU A 69 13.303 0.942 -2.876 1.00 0.00 H new ATOM 0 HG3 GLU A 69 14.439 1.717 -1.790 1.00 0.00 H new ATOM 1073 N LEU A 70 13.924 0.821 1.315 1.00 0.00 N ATOM 1074 CA LEU A 70 13.707 1.865 2.235 1.00 0.00 C ATOM 1075 C LEU A 70 13.667 1.318 3.661 1.00 0.00 C ATOM 1076 O LEU A 70 12.657 1.427 4.375 1.00 0.00 O ATOM 1077 CB LEU A 70 12.408 2.554 1.872 1.00 0.00 C ATOM 1078 CG LEU A 70 12.364 3.251 0.497 1.00 0.00 C ATOM 1079 CD1 LEU A 70 11.018 3.918 0.271 1.00 0.00 C ATOM 1080 CD2 LEU A 70 13.492 4.268 0.363 1.00 0.00 C ATOM 0 H LEU A 70 13.105 0.231 1.165 1.00 0.00 H new ATOM 0 HA LEU A 70 14.523 2.586 2.190 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.608 1.815 1.906 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.189 3.297 2.639 1.00 0.00 H new ATOM 0 HG LEU A 70 12.501 2.487 -0.268 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.011 4.403 -0.705 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.229 3.167 0.309 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.846 4.664 1.047 1.00 0.00 H new ATOM 0 HD21 LEU A 70 13.438 4.745 -0.616 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.394 5.025 1.141 1.00 0.00 H new ATOM 0 HD23 LEU A 70 14.452 3.762 0.467 1.00 0.00 H new ATOM 1092 N LYS A 71 14.780 0.753 4.071 1.00 0.00 N ATOM 1093 CA LYS A 71 14.902 0.106 5.371 1.00 0.00 C ATOM 1094 C LYS A 71 14.783 1.090 6.535 1.00 0.00 C ATOM 1095 O LYS A 71 14.222 0.756 7.586 1.00 0.00 O ATOM 1096 CB LYS A 71 16.208 -0.703 5.449 1.00 0.00 C ATOM 1097 CG LYS A 71 17.484 0.115 5.256 1.00 0.00 C ATOM 1098 CD LYS A 71 18.726 -0.768 5.264 1.00 0.00 C ATOM 1099 CE LYS A 71 18.864 -1.559 6.561 1.00 0.00 C ATOM 1100 NZ LYS A 71 20.081 -2.396 6.569 1.00 0.00 N ATOM 0 H LYS A 71 15.634 0.726 3.514 1.00 0.00 H new ATOM 0 HA LYS A 71 14.061 -0.581 5.469 1.00 0.00 H new ATOM 0 HB2 LYS A 71 16.254 -1.198 6.419 1.00 0.00 H new ATOM 0 HB3 LYS A 71 16.178 -1.487 4.692 1.00 0.00 H new ATOM 0 HG2 LYS A 71 17.429 0.658 4.312 1.00 0.00 H new ATOM 0 HG3 LYS A 71 17.562 0.860 6.048 1.00 0.00 H new ATOM 0 HD2 LYS A 71 18.684 -1.459 4.422 1.00 0.00 H new ATOM 0 HD3 LYS A 71 19.611 -0.148 5.123 1.00 0.00 H new ATOM 0 HE2 LYS A 71 18.892 -0.870 7.405 1.00 0.00 H new ATOM 0 HE3 LYS A 71 17.987 -2.192 6.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 20.138 -2.917 7.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 20.043 -3.071 5.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 20.920 -1.790 6.467 1.00 0.00 H new ATOM 1114 N SER A 72 15.282 2.295 6.352 1.00 0.00 N ATOM 1115 CA SER A 72 15.212 3.293 7.392 1.00 0.00 C ATOM 1116 C SER A 72 13.787 3.828 7.519 1.00 0.00 C ATOM 1117 O SER A 72 13.307 4.101 8.623 1.00 0.00 O ATOM 1118 CB SER A 72 16.213 4.402 7.122 1.00 0.00 C ATOM 1119 OG SER A 72 17.533 3.860 7.023 1.00 0.00 O ATOM 0 H SER A 72 15.739 2.604 5.494 1.00 0.00 H new ATOM 0 HA SER A 72 15.476 2.837 8.347 1.00 0.00 H new ATOM 0 HB2 SER A 72 15.954 4.919 6.198 1.00 0.00 H new ATOM 0 HB3 SER A 72 16.174 5.141 7.923 1.00 0.00 H new ATOM 0 HG SER A 72 18.171 4.583 6.847 1.00 0.00 H new ATOM 1125 N VAL A 73 13.095 3.912 6.390 1.00 0.00 N ATOM 1126 CA VAL A 73 11.715 4.371 6.373 1.00 0.00 C ATOM 1127 C VAL A 73 10.838 3.342 7.081 1.00 0.00 C ATOM 1128 O VAL A 73 10.025 3.681 7.943 1.00 0.00 O ATOM 1129 CB VAL A 73 11.207 4.583 4.922 1.00 0.00 C ATOM 1130 CG1 VAL A 73 9.770 5.089 4.908 1.00 0.00 C ATOM 1131 CG2 VAL A 73 12.118 5.541 4.167 1.00 0.00 C ATOM 0 H VAL A 73 13.469 3.667 5.473 1.00 0.00 H new ATOM 0 HA VAL A 73 11.662 5.330 6.889 1.00 0.00 H new ATOM 0 HB VAL A 73 11.227 3.617 4.418 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.443 5.228 3.877 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.123 4.362 5.399 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.714 6.040 5.437 1.00 0.00 H new ATOM 0 HG21 VAL A 73 11.744 5.675 3.152 1.00 0.00 H new ATOM 0 HG22 VAL A 73 12.137 6.504 4.677 1.00 0.00 H new ATOM 0 HG23 VAL A 73 13.127 5.130 4.130 1.00 0.00 H new ATOM 1141 N ALA A 74 11.056 2.076 6.745 1.00 0.00 N ATOM 1142 CA ALA A 74 10.322 0.970 7.347 1.00 0.00 C ATOM 1143 C ALA A 74 10.548 0.910 8.858 1.00 0.00 C ATOM 1144 O ALA A 74 9.668 0.506 9.613 1.00 0.00 O ATOM 1145 CB ALA A 74 10.733 -0.340 6.702 1.00 0.00 C ATOM 0 H ALA A 74 11.744 1.788 6.050 1.00 0.00 H new ATOM 0 HA ALA A 74 9.259 1.136 7.174 1.00 0.00 H new ATOM 0 HB1 ALA A 74 10.179 -1.160 7.159 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.514 -0.304 5.635 1.00 0.00 H new ATOM 0 HB3 ALA A 74 11.801 -0.498 6.848 1.00 0.00 H new ATOM 1151 N SER A 75 11.715 1.331 9.292 1.00 0.00 N ATOM 1152 CA SER A 75 12.042 1.338 10.697 1.00 0.00 C ATOM 1153 C SER A 75 11.337 2.487 11.437 1.00 0.00 C ATOM 1154 O SER A 75 10.962 2.346 12.605 1.00 0.00 O ATOM 1155 CB SER A 75 13.555 1.407 10.887 1.00 0.00 C ATOM 1156 OG SER A 75 14.188 0.296 10.255 1.00 0.00 O ATOM 0 H SER A 75 12.458 1.676 8.684 1.00 0.00 H new ATOM 0 HA SER A 75 11.680 0.407 11.133 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.938 2.338 10.469 1.00 0.00 H new ATOM 0 HB3 SER A 75 13.794 1.413 11.950 1.00 0.00 H new ATOM 0 HG SER A 75 14.210 0.440 9.286 1.00 0.00 H new ATOM 1162 N ASP A 76 11.123 3.608 10.750 1.00 0.00 N ATOM 1163 CA ASP A 76 10.485 4.769 11.385 1.00 0.00 C ATOM 1164 C ASP A 76 8.981 4.551 11.475 1.00 0.00 C ATOM 1165 O ASP A 76 8.344 4.907 12.466 1.00 0.00 O ATOM 1166 CB ASP A 76 10.785 6.052 10.613 1.00 0.00 C ATOM 1167 CG ASP A 76 10.301 7.289 11.345 1.00 0.00 C ATOM 1168 OD1 ASP A 76 11.082 7.858 12.140 1.00 0.00 O ATOM 1169 OD2 ASP A 76 9.149 7.723 11.138 1.00 0.00 O ATOM 0 H ASP A 76 11.375 3.741 9.771 1.00 0.00 H new ATOM 0 HA ASP A 76 10.894 4.876 12.390 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.859 6.129 10.444 1.00 0.00 H new ATOM 0 HB3 ASP A 76 10.311 6.003 9.633 1.00 0.00 H new ATOM 1174 N TRP A 77 8.426 3.925 10.449 1.00 0.00 N ATOM 1175 CA TRP A 77 7.014 3.566 10.435 1.00 0.00 C ATOM 1176 C TRP A 77 6.760 2.342 11.297 1.00 0.00 C ATOM 1177 O TRP A 77 5.616 1.982 11.567 1.00 0.00 O ATOM 1178 CB TRP A 77 6.519 3.338 9.013 1.00 0.00 C ATOM 1179 CG TRP A 77 6.386 4.597 8.205 1.00 0.00 C ATOM 1180 CD1 TRP A 77 7.388 5.373 7.706 1.00 0.00 C ATOM 1181 CD2 TRP A 77 5.163 5.211 7.789 1.00 0.00 C ATOM 1182 NE1 TRP A 77 6.861 6.439 7.025 1.00 0.00 N ATOM 1183 CE2 TRP A 77 5.498 6.359 7.058 1.00 0.00 C ATOM 1184 CE3 TRP A 77 3.815 4.899 7.971 1.00 0.00 C ATOM 1185 CZ2 TRP A 77 4.537 7.196 6.505 1.00 0.00 C ATOM 1186 CZ3 TRP A 77 2.860 5.728 7.423 1.00 0.00 C ATOM 1187 CH2 TRP A 77 3.225 6.865 6.697 1.00 0.00 C ATOM 0 H TRP A 77 8.935 3.653 9.608 1.00 0.00 H new ATOM 0 HA TRP A 77 6.453 4.401 10.855 1.00 0.00 H new ATOM 0 HB2 TRP A 77 7.206 2.662 8.504 1.00 0.00 H new ATOM 0 HB3 TRP A 77 5.551 2.839 9.052 1.00 0.00 H new ATOM 0 HD1 TRP A 77 8.443 5.177 7.829 1.00 0.00 H new ATOM 0 HE1 TRP A 77 7.400 7.174 6.567 1.00 0.00 H new ATOM 0 HE3 TRP A 77 3.525 4.023 8.532 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 4.816 8.076 5.944 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 1.814 5.495 7.557 1.00 0.00 H new ATOM 0 HH2 TRP A 77 2.454 7.495 6.279 1.00 0.00 H new ATOM 1198 N ALA A 78 7.849 1.726 11.725 1.00 0.00 N ATOM 1199 CA ALA A 78 7.846 0.560 12.580 1.00 0.00 C ATOM 1200 C ALA A 78 7.168 -0.627 11.928 1.00 0.00 C ATOM 1201 O ALA A 78 6.100 -1.087 12.358 1.00 0.00 O ATOM 1202 CB ALA A 78 7.270 0.859 13.955 1.00 0.00 C ATOM 0 H ALA A 78 8.788 2.037 11.477 1.00 0.00 H new ATOM 0 HA ALA A 78 8.890 0.282 12.729 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.288 -0.046 14.562 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.866 1.632 14.439 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.242 1.206 13.851 1.00 0.00 H new ATOM 1208 N ILE A 79 7.759 -1.077 10.864 1.00 0.00 N ATOM 1209 CA ILE A 79 7.281 -2.222 10.152 1.00 0.00 C ATOM 1210 C ILE A 79 8.243 -3.355 10.406 1.00 0.00 C ATOM 1211 O ILE A 79 9.351 -3.370 9.870 1.00 0.00 O ATOM 1212 CB ILE A 79 7.200 -1.945 8.624 1.00 0.00 C ATOM 1213 CG1 ILE A 79 6.322 -0.705 8.332 1.00 0.00 C ATOM 1214 CG2 ILE A 79 6.681 -3.170 7.872 1.00 0.00 C ATOM 1215 CD1 ILE A 79 4.886 -0.814 8.813 1.00 0.00 C ATOM 0 H ILE A 79 8.596 -0.655 10.461 1.00 0.00 H new ATOM 0 HA ILE A 79 6.277 -2.470 10.497 1.00 0.00 H new ATOM 0 HB ILE A 79 8.209 -1.735 8.268 1.00 0.00 H new ATOM 0 HG12 ILE A 79 6.782 0.166 8.799 1.00 0.00 H new ATOM 0 HG13 ILE A 79 6.318 -0.525 7.257 1.00 0.00 H new ATOM 0 HG21 ILE A 79 6.634 -2.949 6.806 1.00 0.00 H new ATOM 0 HG22 ILE A 79 7.353 -4.011 8.039 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.685 -3.424 8.234 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.349 0.101 8.564 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.403 -1.662 8.327 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.874 -0.960 9.893 1.00 0.00 H new ATOM 1227 N GLN A 80 7.863 -4.258 11.264 1.00 0.00 N ATOM 1228 CA GLN A 80 8.724 -5.370 11.598 1.00 0.00 C ATOM 1229 C GLN A 80 8.186 -6.660 10.991 1.00 0.00 C ATOM 1230 O GLN A 80 8.949 -7.557 10.618 1.00 0.00 O ATOM 1231 CB GLN A 80 8.896 -5.478 13.115 1.00 0.00 C ATOM 1232 CG GLN A 80 9.818 -6.594 13.567 1.00 0.00 C ATOM 1233 CD GLN A 80 10.010 -6.604 15.063 1.00 0.00 C ATOM 1234 OE1 GLN A 80 9.259 -7.246 15.799 1.00 0.00 O ATOM 1235 NE2 GLN A 80 11.006 -5.900 15.528 1.00 0.00 N ATOM 0 H GLN A 80 6.965 -4.252 11.748 1.00 0.00 H new ATOM 0 HA GLN A 80 9.712 -5.195 11.171 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.281 -4.531 13.492 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.916 -5.627 13.569 1.00 0.00 H new ATOM 0 HG2 GLN A 80 9.408 -7.553 13.249 1.00 0.00 H new ATOM 0 HG3 GLN A 80 10.786 -6.483 13.079 1.00 0.00 H new ATOM 0 HE21 GLN A 80 11.607 -5.381 14.887 1.00 0.00 H new ATOM 0 HE22 GLN A 80 11.184 -5.869 16.532 1.00 0.00 H new ATOM 1244 N ALA A 81 6.882 -6.747 10.880 1.00 0.00 N ATOM 1245 CA ALA A 81 6.263 -7.900 10.278 1.00 0.00 C ATOM 1246 C ALA A 81 6.076 -7.630 8.807 1.00 0.00 C ATOM 1247 O ALA A 81 5.652 -6.539 8.413 1.00 0.00 O ATOM 1248 CB ALA A 81 4.948 -8.218 10.944 1.00 0.00 C ATOM 0 H ALA A 81 6.229 -6.031 11.200 1.00 0.00 H new ATOM 0 HA ALA A 81 6.905 -8.771 10.410 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.502 -9.093 10.470 1.00 0.00 H new ATOM 0 HB2 ALA A 81 5.116 -8.424 12.001 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.274 -7.367 10.843 1.00 0.00 H new ATOM 1254 N MET A 82 6.394 -8.582 7.998 1.00 0.00 N ATOM 1255 CA MET A 82 6.369 -8.381 6.586 1.00 0.00 C ATOM 1256 C MET A 82 5.426 -9.380 5.954 1.00 0.00 C ATOM 1257 O MET A 82 5.490 -10.565 6.271 1.00 0.00 O ATOM 1258 CB MET A 82 7.764 -8.608 6.041 1.00 0.00 C ATOM 1259 CG MET A 82 8.842 -7.756 6.708 1.00 0.00 C ATOM 1260 SD MET A 82 10.516 -8.264 6.273 1.00 0.00 S ATOM 1261 CE MET A 82 10.476 -8.103 4.510 1.00 0.00 C ATOM 0 H MET A 82 6.677 -9.517 8.292 1.00 0.00 H new ATOM 0 HA MET A 82 6.034 -7.369 6.360 1.00 0.00 H new ATOM 0 HB2 MET A 82 8.022 -9.660 6.161 1.00 0.00 H new ATOM 0 HB3 MET A 82 7.762 -8.400 4.971 1.00 0.00 H new ATOM 0 HG2 MET A 82 8.700 -6.713 6.424 1.00 0.00 H new ATOM 0 HG3 MET A 82 8.722 -7.811 7.790 1.00 0.00 H new ATOM 0 HE1 MET A 82 11.494 -8.031 4.128 1.00 0.00 H new ATOM 0 HE2 MET A 82 9.986 -8.975 4.076 1.00 0.00 H new ATOM 0 HE3 MET A 82 9.923 -7.204 4.239 1.00 0.00 H new ATOM 1271 N PRO A 83 4.538 -8.945 5.066 1.00 0.00 N ATOM 1272 CA PRO A 83 4.387 -7.550 4.684 1.00 0.00 C ATOM 1273 C PRO A 83 3.294 -6.841 5.520 1.00 0.00 C ATOM 1274 O PRO A 83 2.412 -7.485 6.074 1.00 0.00 O ATOM 1275 CB PRO A 83 3.947 -7.664 3.228 1.00 0.00 C ATOM 1276 CG PRO A 83 3.145 -8.925 3.169 1.00 0.00 C ATOM 1277 CD PRO A 83 3.607 -9.801 4.315 1.00 0.00 C ATOM 0 HA PRO A 83 5.293 -6.964 4.838 1.00 0.00 H new ATOM 0 HB2 PRO A 83 3.352 -6.802 2.926 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.805 -7.709 2.558 1.00 0.00 H new ATOM 0 HG2 PRO A 83 2.080 -8.709 3.255 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.292 -9.430 2.214 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.770 -10.120 4.936 1.00 0.00 H new ATOM 0 HD3 PRO A 83 4.099 -10.704 3.954 1.00 0.00 H new ATOM 1285 N THR A 84 3.380 -5.550 5.644 1.00 0.00 N ATOM 1286 CA THR A 84 2.357 -4.808 6.331 1.00 0.00 C ATOM 1287 C THR A 84 1.615 -3.928 5.328 1.00 0.00 C ATOM 1288 O THR A 84 2.233 -3.131 4.622 1.00 0.00 O ATOM 1289 CB THR A 84 2.947 -3.935 7.447 1.00 0.00 C ATOM 1290 OG1 THR A 84 3.626 -4.754 8.424 1.00 0.00 O ATOM 1291 CG2 THR A 84 1.875 -3.099 8.145 1.00 0.00 C ATOM 0 H THR A 84 4.147 -4.985 5.279 1.00 0.00 H new ATOM 0 HA THR A 84 1.669 -5.518 6.791 1.00 0.00 H new ATOM 0 HB THR A 84 3.658 -3.255 6.978 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.338 -5.264 7.985 1.00 0.00 H new ATOM 0 HG21 THR A 84 2.336 -2.496 8.928 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.394 -2.444 7.418 1.00 0.00 H new ATOM 0 HG23 THR A 84 1.129 -3.760 8.587 1.00 0.00 H new ATOM 1299 N PHE A 85 0.313 -4.055 5.286 1.00 0.00 N ATOM 1300 CA PHE A 85 -0.500 -3.296 4.394 1.00 0.00 C ATOM 1301 C PHE A 85 -1.181 -2.226 5.185 1.00 0.00 C ATOM 1302 O PHE A 85 -1.896 -2.517 6.122 1.00 0.00 O ATOM 1303 CB PHE A 85 -1.570 -4.193 3.789 1.00 0.00 C ATOM 1304 CG PHE A 85 -1.059 -5.318 2.943 1.00 0.00 C ATOM 1305 CD1 PHE A 85 -0.759 -6.548 3.505 1.00 0.00 C ATOM 1306 CD2 PHE A 85 -0.889 -5.147 1.584 1.00 0.00 C ATOM 1307 CE1 PHE A 85 -0.298 -7.580 2.723 1.00 0.00 C ATOM 1308 CE2 PHE A 85 -0.430 -6.174 0.798 1.00 0.00 C ATOM 1309 CZ PHE A 85 -0.132 -7.391 1.366 1.00 0.00 C ATOM 0 H PHE A 85 -0.210 -4.698 5.880 1.00 0.00 H new ATOM 0 HA PHE A 85 0.116 -2.871 3.601 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -2.169 -4.612 4.597 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -2.236 -3.578 3.183 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -0.888 -6.697 4.567 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.120 -4.193 1.134 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -0.066 -8.536 3.169 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.303 -6.027 -0.264 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.232 -8.199 0.749 1.00 0.00 H new ATOM 1319 N MET A 86 -0.969 -1.012 4.830 1.00 0.00 N ATOM 1320 CA MET A 86 -1.558 0.071 5.551 1.00 0.00 C ATOM 1321 C MET A 86 -2.580 0.781 4.703 1.00 0.00 C ATOM 1322 O MET A 86 -2.289 1.226 3.596 1.00 0.00 O ATOM 1323 CB MET A 86 -0.486 1.031 6.049 1.00 0.00 C ATOM 1324 CG MET A 86 -1.015 2.168 6.911 1.00 0.00 C ATOM 1325 SD MET A 86 0.295 3.241 7.524 1.00 0.00 S ATOM 1326 CE MET A 86 1.276 2.074 8.470 1.00 0.00 C ATOM 0 H MET A 86 -0.388 -0.735 4.039 1.00 0.00 H new ATOM 0 HA MET A 86 -2.073 -0.333 6.423 1.00 0.00 H new ATOM 0 HB2 MET A 86 0.251 0.469 6.622 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.034 1.454 5.189 1.00 0.00 H new ATOM 0 HG2 MET A 86 -1.722 2.760 6.330 1.00 0.00 H new ATOM 0 HG3 MET A 86 -1.565 1.753 7.756 1.00 0.00 H new ATOM 0 HE1 MET A 86 1.857 2.611 9.220 1.00 0.00 H new ATOM 0 HE2 MET A 86 0.616 1.361 8.964 1.00 0.00 H new ATOM 0 HE3 MET A 86 1.952 1.541 7.801 1.00 0.00 H new ATOM 1336 N PHE A 87 -3.762 0.862 5.220 1.00 0.00 N ATOM 1337 CA PHE A 87 -4.864 1.478 4.588 1.00 0.00 C ATOM 1338 C PHE A 87 -5.082 2.851 5.178 1.00 0.00 C ATOM 1339 O PHE A 87 -5.364 2.996 6.382 1.00 0.00 O ATOM 1340 CB PHE A 87 -6.095 0.615 4.831 1.00 0.00 C ATOM 1341 CG PHE A 87 -6.101 -0.701 4.101 1.00 0.00 C ATOM 1342 CD1 PHE A 87 -5.446 -1.809 4.617 1.00 0.00 C ATOM 1343 CD2 PHE A 87 -6.763 -0.828 2.892 1.00 0.00 C ATOM 1344 CE1 PHE A 87 -5.455 -3.013 3.940 1.00 0.00 C ATOM 1345 CE2 PHE A 87 -6.776 -2.030 2.212 1.00 0.00 C ATOM 1346 CZ PHE A 87 -6.120 -3.124 2.738 1.00 0.00 C ATOM 0 H PHE A 87 -3.988 0.480 6.138 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.679 1.579 3.518 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -6.179 0.421 5.900 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.980 1.180 4.539 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.923 -1.730 5.559 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -7.277 0.025 2.474 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.940 -3.868 4.353 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -7.299 -2.113 1.271 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.128 -4.065 2.209 1.00 0.00 H new ATOM 1356 N LEU A 88 -4.950 3.850 4.372 1.00 0.00 N ATOM 1357 CA LEU A 88 -5.149 5.189 4.824 1.00 0.00 C ATOM 1358 C LEU A 88 -6.282 5.790 4.007 1.00 0.00 C ATOM 1359 O LEU A 88 -6.627 5.275 2.959 1.00 0.00 O ATOM 1360 CB LEU A 88 -3.888 6.087 4.612 1.00 0.00 C ATOM 1361 CG LEU A 88 -2.511 5.638 5.173 1.00 0.00 C ATOM 1362 CD1 LEU A 88 -1.930 4.468 4.393 1.00 0.00 C ATOM 1363 CD2 LEU A 88 -1.537 6.805 5.173 1.00 0.00 C ATOM 0 H LEU A 88 -4.703 3.765 3.386 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.366 5.155 5.892 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.769 6.230 3.538 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.110 7.064 5.041 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.670 5.301 6.197 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.967 4.188 4.820 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.612 3.619 4.448 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.794 4.757 3.351 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.576 6.477 5.569 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.405 7.169 4.154 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.931 7.608 5.796 1.00 0.00 H new ATOM 1375 N LYS A 89 -6.829 6.864 4.466 1.00 0.00 N ATOM 1376 CA LYS A 89 -7.841 7.570 3.732 1.00 0.00 C ATOM 1377 C LYS A 89 -7.525 9.030 3.745 1.00 0.00 C ATOM 1378 O LYS A 89 -7.373 9.634 4.818 1.00 0.00 O ATOM 1379 CB LYS A 89 -9.231 7.323 4.295 1.00 0.00 C ATOM 1380 CG LYS A 89 -10.330 8.104 3.596 1.00 0.00 C ATOM 1381 CD LYS A 89 -11.694 7.837 4.200 1.00 0.00 C ATOM 1382 CE LYS A 89 -12.755 8.676 3.512 1.00 0.00 C ATOM 1383 NZ LYS A 89 -14.111 8.410 4.038 1.00 0.00 N ATOM 0 H LYS A 89 -6.591 7.284 5.364 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.843 7.198 2.707 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.456 6.259 4.226 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.234 7.581 5.354 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.110 9.170 3.656 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.345 7.840 2.538 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.940 6.779 4.104 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.677 8.065 5.266 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -12.519 9.732 3.640 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -12.737 8.473 2.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -14.801 9.006 3.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -14.349 7.408 3.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -14.138 8.628 5.054 1.00 0.00 H new ATOM 1397 N GLU A 90 -7.383 9.581 2.553 1.00 0.00 N ATOM 1398 CA GLU A 90 -7.088 10.991 2.334 1.00 0.00 C ATOM 1399 C GLU A 90 -5.713 11.373 2.894 1.00 0.00 C ATOM 1400 O GLU A 90 -5.437 12.541 3.173 1.00 0.00 O ATOM 1401 CB GLU A 90 -8.174 11.877 2.923 1.00 0.00 C ATOM 1402 CG GLU A 90 -9.546 11.691 2.303 1.00 0.00 C ATOM 1403 CD GLU A 90 -10.589 12.537 2.973 1.00 0.00 C ATOM 1404 OE1 GLU A 90 -10.631 13.759 2.727 1.00 0.00 O ATOM 1405 OE2 GLU A 90 -11.387 11.995 3.772 1.00 0.00 O ATOM 0 H GLU A 90 -7.471 9.049 1.687 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.064 11.153 1.256 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.244 11.681 3.993 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.876 12.919 2.808 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -9.501 11.943 1.243 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.834 10.642 2.369 1.00 0.00 H new ATOM 1412 N GLY A 91 -4.848 10.385 3.015 1.00 0.00 N ATOM 1413 CA GLY A 91 -3.530 10.606 3.560 1.00 0.00 C ATOM 1414 C GLY A 91 -3.477 10.383 5.061 1.00 0.00 C ATOM 1415 O GLY A 91 -2.405 10.390 5.654 1.00 0.00 O ATOM 0 H GLY A 91 -5.038 9.421 2.742 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.821 9.937 3.071 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.214 11.625 3.336 1.00 0.00 H new ATOM 1419 N LYS A 92 -4.628 10.188 5.674 1.00 0.00 N ATOM 1420 CA LYS A 92 -4.692 9.928 7.102 1.00 0.00 C ATOM 1421 C LYS A 92 -4.838 8.432 7.331 1.00 0.00 C ATOM 1422 O LYS A 92 -5.672 7.786 6.702 1.00 0.00 O ATOM 1423 CB LYS A 92 -5.854 10.696 7.792 1.00 0.00 C ATOM 1424 CG LYS A 92 -5.741 12.241 7.814 1.00 0.00 C ATOM 1425 CD LYS A 92 -5.826 12.876 6.426 1.00 0.00 C ATOM 1426 CE LYS A 92 -5.736 14.393 6.497 1.00 0.00 C ATOM 1427 NZ LYS A 92 -5.777 15.017 5.156 1.00 0.00 N ATOM 0 H LYS A 92 -5.534 10.204 5.206 1.00 0.00 H new ATOM 0 HA LYS A 92 -3.767 10.288 7.552 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.785 10.429 7.292 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -5.933 10.344 8.821 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -6.535 12.647 8.440 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -4.795 12.522 8.277 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -5.021 12.492 5.800 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -6.764 12.589 5.951 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -6.559 14.777 7.100 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.812 14.678 7.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -5.968 16.035 5.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -4.862 14.880 4.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -6.530 14.575 4.590 1.00 0.00 H new ATOM 1441 N ILE A 93 -4.031 7.891 8.216 1.00 0.00 N ATOM 1442 CA ILE A 93 -4.003 6.451 8.485 1.00 0.00 C ATOM 1443 C ILE A 93 -5.311 5.988 9.128 1.00 0.00 C ATOM 1444 O ILE A 93 -5.774 6.586 10.107 1.00 0.00 O ATOM 1445 CB ILE A 93 -2.814 6.070 9.422 1.00 0.00 C ATOM 1446 CG1 ILE A 93 -1.479 6.542 8.817 1.00 0.00 C ATOM 1447 CG2 ILE A 93 -2.783 4.555 9.664 1.00 0.00 C ATOM 1448 CD1 ILE A 93 -0.267 6.274 9.693 1.00 0.00 C ATOM 0 H ILE A 93 -3.370 8.429 8.776 1.00 0.00 H new ATOM 0 HA ILE A 93 -3.874 5.951 7.525 1.00 0.00 H new ATOM 0 HB ILE A 93 -2.958 6.571 10.380 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -1.334 6.049 7.856 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -1.541 7.612 8.620 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -1.948 4.308 10.319 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -3.716 4.242 10.132 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.663 4.037 8.713 1.00 0.00 H new ATOM 0 HD11 ILE A 93 0.631 6.637 9.193 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -0.385 6.790 10.646 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.176 5.202 9.870 1.00 0.00 H new ATOM 1460 N LEU A 94 -5.910 4.950 8.565 1.00 0.00 N ATOM 1461 CA LEU A 94 -7.104 4.379 9.120 1.00 0.00 C ATOM 1462 C LEU A 94 -6.791 3.104 9.852 1.00 0.00 C ATOM 1463 O LEU A 94 -7.046 2.986 11.053 1.00 0.00 O ATOM 1464 CB LEU A 94 -8.152 4.096 8.047 1.00 0.00 C ATOM 1465 CG LEU A 94 -8.767 5.295 7.338 1.00 0.00 C ATOM 1466 CD1 LEU A 94 -9.867 4.836 6.408 1.00 0.00 C ATOM 1467 CD2 LEU A 94 -9.306 6.307 8.331 1.00 0.00 C ATOM 0 H LEU A 94 -5.577 4.490 7.717 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.512 5.113 9.815 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.697 3.455 7.292 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.959 3.525 8.506 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.985 5.783 6.756 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -10.302 5.700 5.905 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.454 4.153 5.666 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -10.639 4.324 6.982 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.738 7.150 7.793 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -10.073 5.839 8.948 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.495 6.660 8.967 1.00 0.00 H new ATOM 1479 N ASP A 95 -6.232 2.154 9.128 1.00 0.00 N ATOM 1480 CA ASP A 95 -5.938 0.842 9.662 1.00 0.00 C ATOM 1481 C ASP A 95 -4.915 0.117 8.846 1.00 0.00 C ATOM 1482 O ASP A 95 -4.692 0.438 7.697 1.00 0.00 O ATOM 1483 CB ASP A 95 -7.187 -0.018 9.820 1.00 0.00 C ATOM 1484 CG ASP A 95 -8.081 -0.097 8.606 1.00 0.00 C ATOM 1485 OD1 ASP A 95 -7.786 -0.839 7.670 1.00 0.00 O ATOM 1486 OD2 ASP A 95 -9.145 0.557 8.604 1.00 0.00 O ATOM 0 H ASP A 95 -5.969 2.273 8.150 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.523 1.016 10.655 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -6.879 -1.028 10.089 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -7.771 0.370 10.655 1.00 0.00 H new ATOM 1491 N LYS A 96 -4.263 -0.832 9.457 1.00 0.00 N ATOM 1492 CA LYS A 96 -3.271 -1.618 8.778 1.00 0.00 C ATOM 1493 C LYS A 96 -3.433 -3.108 9.043 1.00 0.00 C ATOM 1494 O LYS A 96 -4.020 -3.512 10.048 1.00 0.00 O ATOM 1495 CB LYS A 96 -1.818 -1.102 9.055 1.00 0.00 C ATOM 1496 CG LYS A 96 -1.371 -0.983 10.529 1.00 0.00 C ATOM 1497 CD LYS A 96 -1.257 -2.324 11.244 1.00 0.00 C ATOM 1498 CE LYS A 96 -0.772 -2.155 12.679 1.00 0.00 C ATOM 1499 NZ LYS A 96 -1.680 -1.306 13.484 1.00 0.00 N ATOM 0 H LYS A 96 -4.403 -1.082 10.436 1.00 0.00 H new ATOM 0 HA LYS A 96 -3.440 -1.485 7.709 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -1.122 -1.768 8.545 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.716 -0.120 8.593 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -0.406 -0.478 10.567 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -2.082 -0.354 11.065 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -2.227 -2.821 11.243 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -0.568 -2.970 10.700 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -0.684 -3.135 13.148 1.00 0.00 H new ATOM 0 HE3 LYS A 96 0.225 -1.714 12.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -1.427 -1.383 14.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -1.590 -0.316 13.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -2.662 -1.622 13.349 1.00 0.00 H new ATOM 1513 N VAL A 97 -2.913 -3.896 8.146 1.00 0.00 N ATOM 1514 CA VAL A 97 -2.938 -5.332 8.238 1.00 0.00 C ATOM 1515 C VAL A 97 -1.513 -5.777 8.392 1.00 0.00 C ATOM 1516 O VAL A 97 -0.662 -5.462 7.550 1.00 0.00 O ATOM 1517 CB VAL A 97 -3.521 -5.979 6.952 1.00 0.00 C ATOM 1518 CG1 VAL A 97 -3.598 -7.497 7.079 1.00 0.00 C ATOM 1519 CG2 VAL A 97 -4.879 -5.403 6.628 1.00 0.00 C ATOM 0 H VAL A 97 -2.447 -3.550 7.307 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.566 -5.634 9.076 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.844 -5.746 6.130 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.010 -7.918 6.162 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.599 -7.899 7.246 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.240 -7.760 7.920 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.267 -5.872 5.723 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -5.562 -5.593 7.456 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.790 -4.328 6.470 1.00 0.00 H new ATOM 1529 N VAL A 98 -1.241 -6.464 9.451 1.00 0.00 N ATOM 1530 CA VAL A 98 0.098 -6.862 9.755 1.00 0.00 C ATOM 1531 C VAL A 98 0.337 -8.331 9.367 1.00 0.00 C ATOM 1532 O VAL A 98 -0.301 -9.251 9.897 1.00 0.00 O ATOM 1533 CB VAL A 98 0.429 -6.581 11.262 1.00 0.00 C ATOM 1534 CG1 VAL A 98 -0.516 -7.312 12.210 1.00 0.00 C ATOM 1535 CG2 VAL A 98 1.870 -6.895 11.583 1.00 0.00 C ATOM 0 H VAL A 98 -1.938 -6.767 10.131 1.00 0.00 H new ATOM 0 HA VAL A 98 0.785 -6.263 9.157 1.00 0.00 H new ATOM 0 HB VAL A 98 0.276 -5.513 11.418 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -0.245 -7.085 13.241 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -1.540 -6.988 12.024 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -0.439 -8.386 12.043 1.00 0.00 H new ATOM 0 HG21 VAL A 98 2.062 -6.688 12.636 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.067 -7.947 11.378 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.523 -6.277 10.967 1.00 0.00 H new ATOM 1545 N GLY A 99 1.222 -8.534 8.415 1.00 0.00 N ATOM 1546 CA GLY A 99 1.541 -9.861 7.962 1.00 0.00 C ATOM 1547 C GLY A 99 0.647 -10.270 6.818 1.00 0.00 C ATOM 1548 O GLY A 99 -0.400 -9.646 6.586 1.00 0.00 O ATOM 0 H GLY A 99 1.733 -7.790 7.941 1.00 0.00 H new ATOM 0 HA2 GLY A 99 2.583 -9.901 7.646 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.430 -10.567 8.785 1.00 0.00 H new ATOM 1552 N ALA A 100 1.037 -11.293 6.090 1.00 0.00 N ATOM 1553 CA ALA A 100 0.224 -11.763 5.010 1.00 0.00 C ATOM 1554 C ALA A 100 -0.891 -12.597 5.578 1.00 0.00 C ATOM 1555 O ALA A 100 -0.667 -13.685 6.110 1.00 0.00 O ATOM 1556 CB ALA A 100 1.053 -12.570 4.017 1.00 0.00 C ATOM 0 H ALA A 100 1.907 -11.807 6.231 1.00 0.00 H new ATOM 0 HA ALA A 100 -0.193 -10.913 4.469 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.413 -12.916 3.205 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.846 -11.943 3.611 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.493 -13.429 4.524 1.00 0.00 H new ATOM 1562 N LYS A 101 -2.073 -12.074 5.502 1.00 0.00 N ATOM 1563 CA LYS A 101 -3.236 -12.732 5.980 1.00 0.00 C ATOM 1564 C LYS A 101 -4.183 -12.798 4.815 1.00 0.00 C ATOM 1565 O LYS A 101 -4.691 -11.782 4.394 1.00 0.00 O ATOM 1566 CB LYS A 101 -3.811 -11.876 7.100 1.00 0.00 C ATOM 1567 CG LYS A 101 -2.798 -11.664 8.212 1.00 0.00 C ATOM 1568 CD LYS A 101 -3.229 -10.682 9.229 1.00 0.00 C ATOM 1569 CE LYS A 101 -4.399 -11.148 10.057 1.00 0.00 C ATOM 1570 NZ LYS A 101 -4.846 -10.097 10.988 1.00 0.00 N ATOM 0 H LYS A 101 -2.255 -11.156 5.096 1.00 0.00 H new ATOM 0 HA LYS A 101 -3.044 -13.734 6.364 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -4.121 -10.911 6.700 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.703 -12.355 7.505 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -2.603 -12.619 8.701 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.856 -11.332 7.775 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -2.390 -10.464 9.890 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -3.494 -9.749 8.732 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -5.222 -11.430 9.401 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -4.118 -12.039 10.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -5.123 -10.529 11.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -4.070 -9.424 11.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -5.660 -9.595 10.580 1.00 0.00 H new ATOM 1584 N LYS A 102 -4.398 -13.968 4.282 1.00 0.00 N ATOM 1585 CA LYS A 102 -5.131 -14.111 3.057 1.00 0.00 C ATOM 1586 C LYS A 102 -6.617 -13.805 3.250 1.00 0.00 C ATOM 1587 O LYS A 102 -7.192 -12.987 2.525 1.00 0.00 O ATOM 1588 CB LYS A 102 -4.909 -15.540 2.542 1.00 0.00 C ATOM 1589 CG LYS A 102 -5.211 -15.785 1.061 1.00 0.00 C ATOM 1590 CD LYS A 102 -6.686 -15.675 0.666 1.00 0.00 C ATOM 1591 CE LYS A 102 -7.547 -16.753 1.310 1.00 0.00 C ATOM 1592 NZ LYS A 102 -8.958 -16.651 0.887 1.00 0.00 N ATOM 0 H LYS A 102 -4.071 -14.847 4.684 1.00 0.00 H new ATOM 0 HA LYS A 102 -4.771 -13.391 2.322 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -3.870 -15.813 2.728 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -5.527 -16.216 3.133 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -4.639 -15.071 0.468 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -4.854 -16.780 0.794 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -7.063 -14.694 0.954 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -6.774 -15.745 -0.418 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -7.158 -17.736 1.045 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -7.485 -16.668 2.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -9.513 -17.401 1.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -9.337 -15.722 1.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -9.019 -16.757 -0.146 1.00 0.00 H new ATOM 1606 N ASP A 103 -7.220 -14.453 4.220 1.00 0.00 N ATOM 1607 CA ASP A 103 -8.652 -14.311 4.480 1.00 0.00 C ATOM 1608 C ASP A 103 -8.997 -12.994 5.159 1.00 0.00 C ATOM 1609 O ASP A 103 -9.923 -12.288 4.759 1.00 0.00 O ATOM 1610 CB ASP A 103 -9.193 -15.497 5.281 1.00 0.00 C ATOM 1611 CG ASP A 103 -10.670 -15.373 5.583 1.00 0.00 C ATOM 1612 OD1 ASP A 103 -11.499 -15.751 4.733 1.00 0.00 O ATOM 1613 OD2 ASP A 103 -11.022 -14.921 6.687 1.00 0.00 O ATOM 0 H ASP A 103 -6.742 -15.093 4.854 1.00 0.00 H new ATOM 0 HA ASP A 103 -9.142 -14.303 3.507 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -9.016 -16.417 4.724 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.641 -15.580 6.217 1.00 0.00 H new ATOM 1618 N GLU A 104 -8.235 -12.668 6.178 1.00 0.00 N ATOM 1619 CA GLU A 104 -8.496 -11.500 7.007 1.00 0.00 C ATOM 1620 C GLU A 104 -8.287 -10.205 6.193 1.00 0.00 C ATOM 1621 O GLU A 104 -9.022 -9.236 6.364 1.00 0.00 O ATOM 1622 CB GLU A 104 -7.603 -11.588 8.266 1.00 0.00 C ATOM 1623 CG GLU A 104 -7.968 -10.685 9.459 1.00 0.00 C ATOM 1624 CD GLU A 104 -7.744 -9.214 9.252 1.00 0.00 C ATOM 1625 OE1 GLU A 104 -6.590 -8.764 9.395 1.00 0.00 O ATOM 1626 OE2 GLU A 104 -8.714 -8.485 8.982 1.00 0.00 O ATOM 0 H GLU A 104 -7.414 -13.203 6.461 1.00 0.00 H new ATOM 0 HA GLU A 104 -9.535 -11.476 7.336 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -7.609 -12.622 8.612 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.580 -11.357 7.970 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -9.018 -10.843 9.704 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.387 -11.004 10.324 1.00 0.00 H new ATOM 1633 N LEU A 105 -7.321 -10.222 5.264 1.00 0.00 N ATOM 1634 CA LEU A 105 -7.063 -9.064 4.389 1.00 0.00 C ATOM 1635 C LEU A 105 -8.331 -8.682 3.677 1.00 0.00 C ATOM 1636 O LEU A 105 -8.685 -7.521 3.601 1.00 0.00 O ATOM 1637 CB LEU A 105 -6.032 -9.418 3.342 1.00 0.00 C ATOM 1638 CG LEU A 105 -5.572 -8.285 2.411 1.00 0.00 C ATOM 1639 CD1 LEU A 105 -4.947 -7.144 3.196 1.00 0.00 C ATOM 1640 CD2 LEU A 105 -4.596 -8.813 1.373 1.00 0.00 C ATOM 0 H LEU A 105 -6.707 -11.019 5.098 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.701 -8.241 5.005 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.154 -9.817 3.851 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.436 -10.221 2.726 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.452 -7.896 1.899 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -4.632 -6.359 2.509 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.678 -6.741 3.897 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.082 -7.512 3.747 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.281 -7.998 0.722 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.725 -9.235 1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.081 -9.586 0.777 1.00 0.00 H new ATOM 1652 N GLN A 106 -9.011 -9.692 3.184 1.00 0.00 N ATOM 1653 CA GLN A 106 -10.277 -9.527 2.452 1.00 0.00 C ATOM 1654 C GLN A 106 -11.294 -8.794 3.315 1.00 0.00 C ATOM 1655 O GLN A 106 -12.024 -7.936 2.835 1.00 0.00 O ATOM 1656 CB GLN A 106 -10.862 -10.886 2.049 1.00 0.00 C ATOM 1657 CG GLN A 106 -9.891 -11.814 1.342 1.00 0.00 C ATOM 1658 CD GLN A 106 -9.320 -11.251 0.066 1.00 0.00 C ATOM 1659 OE1 GLN A 106 -9.963 -10.471 -0.637 1.00 0.00 O ATOM 1660 NE2 GLN A 106 -8.104 -11.634 -0.232 1.00 0.00 N ATOM 0 H GLN A 106 -8.712 -10.663 3.272 1.00 0.00 H new ATOM 0 HA GLN A 106 -10.065 -8.948 1.553 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -11.233 -11.385 2.944 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -11.720 -10.718 1.399 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -9.072 -12.050 2.021 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -10.399 -12.752 1.117 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -7.609 -12.282 0.380 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -7.652 -11.284 -1.077 1.00 0.00 H new ATOM 1669 N SER A 107 -11.310 -9.115 4.593 1.00 0.00 N ATOM 1670 CA SER A 107 -12.233 -8.504 5.518 1.00 0.00 C ATOM 1671 C SER A 107 -11.855 -7.034 5.762 1.00 0.00 C ATOM 1672 O SER A 107 -12.734 -6.164 5.884 1.00 0.00 O ATOM 1673 CB SER A 107 -12.263 -9.306 6.808 1.00 0.00 C ATOM 1674 OG SER A 107 -12.607 -10.664 6.525 1.00 0.00 O ATOM 0 H SER A 107 -10.686 -9.803 5.014 1.00 0.00 H new ATOM 0 HA SER A 107 -13.237 -8.510 5.093 1.00 0.00 H new ATOM 0 HB2 SER A 107 -11.290 -9.262 7.297 1.00 0.00 H new ATOM 0 HB3 SER A 107 -12.987 -8.874 7.499 1.00 0.00 H new ATOM 0 HG SER A 107 -12.624 -11.178 7.359 1.00 0.00 H new ATOM 1680 N THR A 108 -10.559 -6.757 5.791 1.00 0.00 N ATOM 1681 CA THR A 108 -10.088 -5.402 5.931 1.00 0.00 C ATOM 1682 C THR A 108 -10.374 -4.614 4.625 1.00 0.00 C ATOM 1683 O THR A 108 -10.706 -3.426 4.659 1.00 0.00 O ATOM 1684 CB THR A 108 -8.574 -5.352 6.274 1.00 0.00 C ATOM 1685 OG1 THR A 108 -8.322 -6.088 7.497 1.00 0.00 O ATOM 1686 CG2 THR A 108 -8.115 -3.907 6.477 1.00 0.00 C ATOM 0 H THR A 108 -9.822 -7.458 5.719 1.00 0.00 H new ATOM 0 HA THR A 108 -10.624 -4.940 6.760 1.00 0.00 H new ATOM 0 HB THR A 108 -8.024 -5.796 5.444 1.00 0.00 H new ATOM 0 HG1 THR A 108 -8.616 -7.016 7.386 1.00 0.00 H new ATOM 0 HG21 THR A 108 -7.052 -3.893 6.716 1.00 0.00 H new ATOM 0 HG22 THR A 108 -8.289 -3.338 5.563 1.00 0.00 H new ATOM 0 HG23 THR A 108 -8.677 -3.458 7.296 1.00 0.00 H new ATOM 1694 N ILE A 109 -10.272 -5.290 3.482 1.00 0.00 N ATOM 1695 CA ILE A 109 -10.564 -4.663 2.204 1.00 0.00 C ATOM 1696 C ILE A 109 -12.043 -4.322 2.114 1.00 0.00 C ATOM 1697 O ILE A 109 -12.394 -3.208 1.769 1.00 0.00 O ATOM 1698 CB ILE A 109 -10.143 -5.557 1.011 1.00 0.00 C ATOM 1699 CG1 ILE A 109 -8.630 -5.777 1.050 1.00 0.00 C ATOM 1700 CG2 ILE A 109 -10.565 -4.926 -0.324 1.00 0.00 C ATOM 1701 CD1 ILE A 109 -8.117 -6.690 -0.025 1.00 0.00 C ATOM 0 H ILE A 109 -9.990 -6.268 3.419 1.00 0.00 H new ATOM 0 HA ILE A 109 -9.979 -3.745 2.145 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.648 -6.519 1.095 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -8.131 -4.812 0.961 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -8.358 -6.189 2.022 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.258 -5.573 -1.146 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -11.648 -4.805 -0.343 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -10.089 -3.951 -0.432 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -7.036 -6.794 0.071 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -8.586 -7.669 0.074 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -8.355 -6.271 -1.003 1.00 0.00 H new ATOM 1713 N ALA A 110 -12.894 -5.279 2.478 1.00 0.00 N ATOM 1714 CA ALA A 110 -14.348 -5.094 2.452 1.00 0.00 C ATOM 1715 C ALA A 110 -14.777 -3.951 3.358 1.00 0.00 C ATOM 1716 O ALA A 110 -15.751 -3.259 3.086 1.00 0.00 O ATOM 1717 CB ALA A 110 -15.045 -6.373 2.849 1.00 0.00 C ATOM 0 H ALA A 110 -12.599 -6.202 2.798 1.00 0.00 H new ATOM 0 HA ALA A 110 -14.636 -4.836 1.433 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -16.124 -6.222 2.826 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -14.775 -7.166 2.152 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -14.740 -6.656 3.857 1.00 0.00 H new ATOM 1723 N LYS A 111 -14.029 -3.759 4.430 1.00 0.00 N ATOM 1724 CA LYS A 111 -14.249 -2.674 5.371 1.00 0.00 C ATOM 1725 C LYS A 111 -14.169 -1.342 4.637 1.00 0.00 C ATOM 1726 O LYS A 111 -14.986 -0.457 4.827 1.00 0.00 O ATOM 1727 CB LYS A 111 -13.144 -2.707 6.389 1.00 0.00 C ATOM 1728 CG LYS A 111 -13.287 -1.740 7.546 1.00 0.00 C ATOM 1729 CD LYS A 111 -12.027 -1.731 8.392 1.00 0.00 C ATOM 1730 CE LYS A 111 -12.172 -0.817 9.589 1.00 0.00 C ATOM 1731 NZ LYS A 111 -10.902 -0.661 10.325 1.00 0.00 N ATOM 0 H LYS A 111 -13.242 -4.360 4.675 1.00 0.00 H new ATOM 0 HA LYS A 111 -15.226 -2.784 5.841 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -13.075 -3.718 6.791 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -12.201 -2.501 5.882 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -13.484 -0.737 7.167 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -14.142 -2.023 8.160 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -11.807 -2.744 8.730 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -11.182 -1.407 7.785 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -12.521 0.161 9.258 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -12.933 -1.217 10.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -11.095 -0.279 11.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -10.436 -1.587 10.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -10.279 -0.008 9.808 1.00 0.00 H new ATOM 1745 N HIS A 112 -13.171 -1.234 3.789 1.00 0.00 N ATOM 1746 CA HIS A 112 -12.909 -0.036 3.031 1.00 0.00 C ATOM 1747 C HIS A 112 -13.667 -0.004 1.705 1.00 0.00 C ATOM 1748 O HIS A 112 -13.802 1.061 1.086 1.00 0.00 O ATOM 1749 CB HIS A 112 -11.413 0.088 2.755 1.00 0.00 C ATOM 1750 CG HIS A 112 -10.560 0.339 3.961 1.00 0.00 C ATOM 1751 ND1 HIS A 112 -10.152 1.587 4.339 1.00 0.00 N ATOM 1752 CD2 HIS A 112 -10.023 -0.511 4.860 1.00 0.00 C ATOM 1753 CE1 HIS A 112 -9.405 1.494 5.410 1.00 0.00 C ATOM 1754 NE2 HIS A 112 -9.316 0.233 5.742 1.00 0.00 N ATOM 0 H HIS A 112 -12.510 -1.989 3.605 1.00 0.00 H new ATOM 0 HA HIS A 112 -13.257 0.803 3.633 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -11.072 -0.828 2.273 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -11.257 0.900 2.044 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -10.136 -1.585 4.873 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -8.941 2.319 5.931 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -8.796 -0.132 6.540 1.00 0.00 H new ATOM 1763 N LEU A 113 -14.134 -1.146 1.254 1.00 0.00 N ATOM 1764 CA LEU A 113 -14.807 -1.252 0.014 1.00 0.00 C ATOM 1765 C LEU A 113 -16.223 -0.696 0.130 1.00 0.00 C ATOM 1766 O LEU A 113 -17.122 -1.335 0.707 1.00 0.00 O ATOM 1767 CB LEU A 113 -14.798 -2.710 -0.395 1.00 0.00 C ATOM 1768 CG LEU A 113 -15.136 -3.087 -1.838 1.00 0.00 C ATOM 1769 CD1 LEU A 113 -16.584 -2.797 -2.230 1.00 0.00 C ATOM 1770 CD2 LEU A 113 -14.161 -2.453 -2.822 1.00 0.00 C ATOM 0 H LEU A 113 -14.047 -2.029 1.757 1.00 0.00 H new ATOM 0 HA LEU A 113 -14.305 -0.663 -0.754 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -13.805 -3.105 -0.178 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -15.499 -3.236 0.253 1.00 0.00 H new ATOM 0 HG LEU A 113 -15.026 -4.170 -1.890 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -16.746 -3.091 -3.267 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -17.256 -3.361 -1.583 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -16.784 -1.731 -2.120 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -14.430 -2.742 -3.838 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -14.205 -1.368 -2.729 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -13.149 -2.795 -2.604 1.00 0.00 H new ATOM 1782 N ALA A 114 -16.380 0.503 -0.376 1.00 0.00 N ATOM 1783 CA ALA A 114 -17.632 1.216 -0.437 1.00 0.00 C ATOM 1784 C ALA A 114 -17.396 2.469 -1.252 1.00 0.00 C ATOM 1785 O ALA A 114 -17.331 2.367 -2.490 1.00 0.00 O ATOM 1786 CB ALA A 114 -18.132 1.578 0.968 1.00 0.00 C ATOM 1787 OXT ALA A 114 -17.203 3.542 -0.670 1.00 0.00 O ATOM 0 H ALA A 114 -15.604 1.032 -0.774 1.00 0.00 H new ATOM 0 HA ALA A 114 -18.398 0.591 -0.897 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -19.077 2.115 0.891 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -18.278 0.667 1.548 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -17.396 2.210 1.465 1.00 0.00 H new TER 1793 ALA A 114