USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 799 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 82 MET CE :methyl -168:sc= -7.07! (180deg=-3.99!) USER MOD Set 1.2: A 84 THR OG1 : rot -140:sc= -2.58! USER MOD Set 2.1: A 53 TYR OH : rot -130:sc= 0.791 USER MOD Set 2.2: A 106 GLN : amide:sc= -6.5! C(o=-5.7!,f=-12!) USER MOD Single : A 11 CYS SG : rot -70:sc= -4.42! USER MOD Single : A 12 HIS : no HE2:sc= -6.78! C(o=-6.8!,f=-8.6!) USER MOD Single : A 13 ASN :FLIP amide:sc= -4.05! C(o=-11!,f=-4!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -3.24 K(o=-3.2,f=-4.1!) USER MOD Single : A 21 MET CE :methyl -160:sc= -5.59 (180deg=-8.7!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -176:sc= 0.0104 (180deg=-0.00725) USER MOD Single : A 76 LYS NZ :NH3+ 155:sc= -0.144 (180deg=-0.935) USER MOD Single : A 77 TYR OH : rot 180:sc= -0.308 USER MOD Single : A 78 ASN : amide:sc= -0.236 X(o=-0.24,f=-0.015) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot -123:sc= -2.21! USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 HIS :FLIP no HE2:sc= -9.29! C(o=-11!,f=-9.3!) USER MOD ----------------------------------------------------------------- ATOM 53 N GLU A 5 2.777 7.080 -6.060 1.00 15.33 N ATOM 54 CA GLU A 5 1.784 7.056 -7.128 1.00 32.45 C ATOM 55 C GLU A 5 1.655 8.428 -7.783 1.00 24.31 C ATOM 56 O GLU A 5 2.620 9.189 -7.849 1.00 73.21 O ATOM 57 CB GLU A 5 0.426 6.610 -6.581 1.00 53.13 C ATOM 58 CG GLU A 5 0.526 5.598 -5.452 1.00 40.32 C ATOM 59 CD GLU A 5 1.142 4.286 -5.897 1.00 41.34 C ATOM 60 OE1 GLU A 5 2.345 4.280 -6.233 1.00 2.21 O ATOM 61 OE2 GLU A 5 0.422 3.266 -5.911 1.00 0.32 O ATOM 0 HA GLU A 5 2.116 6.343 -7.882 1.00 32.45 H new ATOM 0 HB2 GLU A 5 -0.118 7.485 -6.226 1.00 53.13 H new ATOM 0 HB3 GLU A 5 -0.159 6.179 -7.393 1.00 53.13 H new ATOM 0 HG2 GLU A 5 1.123 6.019 -4.643 1.00 40.32 H new ATOM 0 HG3 GLU A 5 -0.469 5.410 -5.049 1.00 40.32 H new ATOM 68 N GLY A 6 0.456 8.736 -8.267 1.00 0.10 N ATOM 69 CA GLY A 6 0.223 10.015 -8.911 1.00 53.35 C ATOM 70 C GLY A 6 -0.145 11.104 -7.923 1.00 4.10 C ATOM 71 O GLY A 6 -0.884 12.031 -8.255 1.00 71.40 O ATOM 0 H GLY A 6 -0.358 8.123 -8.225 1.00 0.10 H new ATOM 0 HA2 GLY A 6 1.119 10.312 -9.457 1.00 53.35 H new ATOM 0 HA3 GLY A 6 -0.577 9.909 -9.644 1.00 53.35 H new ATOM 75 N VAL A 7 0.372 10.993 -6.703 1.00 71.32 N ATOM 76 CA VAL A 7 0.094 11.975 -5.662 1.00 53.25 C ATOM 77 C VAL A 7 1.332 12.805 -5.345 1.00 44.42 C ATOM 78 O VAL A 7 2.389 12.620 -5.950 1.00 13.42 O ATOM 79 CB VAL A 7 -0.402 11.299 -4.371 1.00 15.15 C ATOM 80 CG1 VAL A 7 -1.299 10.115 -4.698 1.00 31.22 C ATOM 81 CG2 VAL A 7 0.775 10.865 -3.511 1.00 1.33 C ATOM 0 H VAL A 7 0.986 10.232 -6.412 1.00 71.32 H new ATOM 0 HA VAL A 7 -0.690 12.629 -6.045 1.00 53.25 H new ATOM 0 HB VAL A 7 -0.989 12.023 -3.805 1.00 15.15 H new ATOM 0 HG11 VAL A 7 -1.640 9.650 -3.773 1.00 31.22 H new ATOM 0 HG12 VAL A 7 -2.161 10.459 -5.270 1.00 31.22 H new ATOM 0 HG13 VAL A 7 -0.740 9.387 -5.286 1.00 31.22 H new ATOM 0 HG21 VAL A 7 0.406 10.389 -2.603 1.00 1.33 H new ATOM 0 HG22 VAL A 7 1.390 10.158 -4.067 1.00 1.33 H new ATOM 0 HG23 VAL A 7 1.373 11.737 -3.246 1.00 1.33 H new ATOM 91 N VAL A 8 1.196 13.722 -4.392 1.00 32.31 N ATOM 92 CA VAL A 8 2.304 14.580 -3.992 1.00 43.22 C ATOM 93 C VAL A 8 3.546 13.758 -3.665 1.00 13.12 C ATOM 94 O VAL A 8 3.701 13.268 -2.546 1.00 15.23 O ATOM 95 CB VAL A 8 1.935 15.441 -2.770 1.00 11.23 C ATOM 96 CG1 VAL A 8 0.717 16.301 -3.070 1.00 41.45 C ATOM 97 CG2 VAL A 8 1.689 14.561 -1.553 1.00 41.15 C ATOM 0 H VAL A 8 0.328 13.889 -3.883 1.00 32.31 H new ATOM 0 HA VAL A 8 2.518 15.235 -4.837 1.00 43.22 H new ATOM 0 HB VAL A 8 2.772 16.103 -2.549 1.00 11.23 H new ATOM 0 HG11 VAL A 8 0.472 16.902 -2.195 1.00 41.45 H new ATOM 0 HG12 VAL A 8 0.934 16.958 -3.912 1.00 41.45 H new ATOM 0 HG13 VAL A 8 -0.129 15.660 -3.318 1.00 41.45 H new ATOM 0 HG21 VAL A 8 1.429 15.186 -0.699 1.00 41.15 H new ATOM 0 HG22 VAL A 8 0.870 13.873 -1.761 1.00 41.15 H new ATOM 0 HG23 VAL A 8 2.591 13.993 -1.326 1.00 41.15 H new ATOM 107 N ILE A 9 4.428 13.611 -4.648 1.00 13.43 N ATOM 108 CA ILE A 9 5.657 12.850 -4.463 1.00 73.22 C ATOM 109 C ILE A 9 6.293 13.153 -3.111 1.00 63.50 C ATOM 110 O ILE A 9 5.932 14.123 -2.447 1.00 11.41 O ATOM 111 CB ILE A 9 6.677 13.150 -5.577 1.00 62.51 C ATOM 112 CG1 ILE A 9 6.027 12.985 -6.952 1.00 51.53 C ATOM 113 CG2 ILE A 9 7.888 12.238 -5.445 1.00 71.34 C ATOM 114 CD1 ILE A 9 5.337 11.652 -7.139 1.00 52.42 C ATOM 0 H ILE A 9 4.314 14.009 -5.580 1.00 13.43 H new ATOM 0 HA ILE A 9 5.385 11.795 -4.505 1.00 73.22 H new ATOM 0 HB ILE A 9 7.011 14.183 -5.476 1.00 62.51 H new ATOM 0 HG12 ILE A 9 5.301 13.784 -7.100 1.00 51.53 H new ATOM 0 HG13 ILE A 9 6.790 13.101 -7.722 1.00 51.53 H new ATOM 0 HG21 ILE A 9 8.600 12.462 -6.239 1.00 71.34 H new ATOM 0 HG22 ILE A 9 8.362 12.400 -4.477 1.00 71.34 H new ATOM 0 HG23 ILE A 9 7.571 11.198 -5.524 1.00 71.34 H new ATOM 0 HD11 ILE A 9 4.899 11.606 -8.136 1.00 52.42 H new ATOM 0 HD12 ILE A 9 6.063 10.847 -7.024 1.00 52.42 H new ATOM 0 HD13 ILE A 9 4.551 11.541 -6.392 1.00 52.42 H new ATOM 126 N ALA A 10 7.244 12.315 -2.710 1.00 44.23 N ATOM 127 CA ALA A 10 7.935 12.495 -1.439 1.00 54.21 C ATOM 128 C ALA A 10 9.437 12.287 -1.596 1.00 20.41 C ATOM 129 O ALA A 10 10.020 11.403 -0.967 1.00 35.55 O ATOM 130 CB ALA A 10 7.374 11.542 -0.394 1.00 74.03 C ATOM 0 H ALA A 10 7.553 11.505 -3.247 1.00 44.23 H new ATOM 0 HA ALA A 10 7.770 13.520 -1.106 1.00 54.21 H new ATOM 0 HB1 ALA A 10 7.899 11.687 0.550 1.00 74.03 H new ATOM 0 HB2 ALA A 10 6.312 11.741 -0.253 1.00 74.03 H new ATOM 0 HB3 ALA A 10 7.509 10.514 -0.730 1.00 74.03 H new ATOM 136 N CYS A 11 10.058 13.104 -2.438 1.00 43.34 N ATOM 137 CA CYS A 11 11.494 13.008 -2.679 1.00 13.01 C ATOM 138 C CYS A 11 12.255 12.851 -1.367 1.00 24.41 C ATOM 139 O CYS A 11 11.736 13.161 -0.294 1.00 62.42 O ATOM 140 CB CYS A 11 11.991 14.246 -3.426 1.00 11.51 C ATOM 141 SG CYS A 11 13.739 14.621 -3.153 1.00 72.45 S ATOM 0 H CYS A 11 9.590 13.841 -2.966 1.00 43.34 H new ATOM 0 HA CYS A 11 11.677 12.126 -3.292 1.00 13.01 H new ATOM 0 HB2 CYS A 11 11.823 14.105 -4.494 1.00 11.51 H new ATOM 0 HB3 CYS A 11 11.394 15.105 -3.121 1.00 11.51 H new ATOM 0 HG CYS A 11 13.908 15.038 -1.933 1.00 72.45 H new ATOM 147 N HIS A 12 13.489 12.365 -1.460 1.00 4.14 N ATOM 148 CA HIS A 12 14.323 12.165 -0.279 1.00 50.15 C ATOM 149 C HIS A 12 15.773 11.907 -0.676 1.00 45.31 C ATOM 150 O HIS A 12 16.474 11.129 -0.031 1.00 23.10 O ATOM 151 CB HIS A 12 13.794 10.996 0.552 1.00 0.33 C ATOM 152 CG HIS A 12 13.643 11.317 2.008 1.00 62.34 C ATOM 153 ND1 HIS A 12 14.485 10.819 2.979 1.00 25.41 N ATOM 154 CD2 HIS A 12 12.742 12.092 2.655 1.00 75.43 C ATOM 155 CE1 HIS A 12 14.107 11.272 4.161 1.00 24.20 C ATOM 156 NE2 HIS A 12 13.051 12.047 3.992 1.00 44.03 N ATOM 0 H HIS A 12 13.933 12.103 -2.340 1.00 4.14 H new ATOM 0 HA HIS A 12 14.285 13.074 0.321 1.00 50.15 H new ATOM 0 HB2 HIS A 12 12.828 10.686 0.154 1.00 0.33 H new ATOM 0 HB3 HIS A 12 14.470 10.148 0.443 1.00 0.33 H new ATOM 0 HD1 HIS A 12 15.276 10.198 2.811 1.00 25.41 H new ATOM 0 HD2 HIS A 12 11.931 12.644 2.204 1.00 75.43 H new ATOM 0 HE1 HIS A 12 14.581 11.047 5.105 1.00 24.20 H new ATOM 164 N ASN A 13 16.216 12.566 -1.742 1.00 64.23 N ATOM 165 CA ASN A 13 17.583 12.407 -2.226 1.00 21.43 C ATOM 166 C ASN A 13 17.815 13.237 -3.485 1.00 30.34 C ATOM 167 O ASN A 13 18.668 12.909 -4.310 1.00 3.25 O ATOM 168 CB ASN A 13 17.876 10.933 -2.512 1.00 64.51 C ATOM 169 CG ASN A 13 17.724 10.587 -3.981 1.00 1.50 C ATOM 170 OD1 ASN A 13 16.737 11.192 -4.631 1.00 62.31 O flip ATOM 171 ND2 ASN A 13 18.485 9.787 -4.524 1.00 51.54 N flip ATOM 0 H ASN A 13 15.648 13.215 -2.287 1.00 64.23 H new ATOM 0 HA ASN A 13 18.261 12.762 -1.449 1.00 21.43 H new ATOM 0 HB2 ASN A 13 18.890 10.698 -2.189 1.00 64.51 H new ATOM 0 HB3 ASN A 13 17.202 10.311 -1.923 1.00 64.51 H new ATOM 0 HD21 ASN A 13 19.230 9.346 -3.985 1.00 51.54 H new ATOM 0 HD22 ASN A 13 18.371 9.565 -5.513 1.00 51.54 H new ATOM 178 N LYS A 14 17.050 14.314 -3.626 1.00 31.24 N ATOM 179 CA LYS A 14 17.172 15.193 -4.782 1.00 52.41 C ATOM 180 C LYS A 14 16.763 14.470 -6.061 1.00 65.04 C ATOM 181 O LYS A 14 15.726 14.771 -6.652 1.00 0.21 O ATOM 182 CB LYS A 14 18.608 15.706 -4.910 1.00 1.03 C ATOM 183 CG LYS A 14 19.034 15.973 -6.343 1.00 74.11 C ATOM 184 CD LYS A 14 20.011 17.133 -6.428 1.00 11.32 C ATOM 185 CE LYS A 14 19.412 18.409 -5.855 1.00 44.02 C ATOM 186 NZ LYS A 14 19.909 19.621 -6.564 1.00 13.24 N ATOM 0 H LYS A 14 16.338 14.599 -2.953 1.00 31.24 H new ATOM 0 HA LYS A 14 16.502 16.040 -4.635 1.00 52.41 H new ATOM 0 HB2 LYS A 14 18.709 16.625 -4.333 1.00 1.03 H new ATOM 0 HB3 LYS A 14 19.286 14.976 -4.468 1.00 1.03 H new ATOM 0 HG2 LYS A 14 19.495 15.077 -6.759 1.00 74.11 H new ATOM 0 HG3 LYS A 14 18.155 16.191 -6.950 1.00 74.11 H new ATOM 0 HD2 LYS A 14 20.923 16.883 -5.886 1.00 11.32 H new ATOM 0 HD3 LYS A 14 20.293 17.297 -7.468 1.00 11.32 H new ATOM 0 HE2 LYS A 14 18.325 18.365 -5.928 1.00 44.02 H new ATOM 0 HE3 LYS A 14 19.657 18.482 -4.795 1.00 44.02 H new ATOM 0 HZ1 LYS A 14 19.478 20.470 -6.145 1.00 13.24 H new ATOM 0 HZ2 LYS A 14 20.943 19.677 -6.473 1.00 13.24 H new ATOM 0 HZ3 LYS A 14 19.653 19.564 -7.570 1.00 13.24 H new ATOM 200 N ASP A 15 17.585 13.515 -6.483 1.00 35.40 N ATOM 201 CA ASP A 15 17.307 12.746 -7.691 1.00 42.30 C ATOM 202 C ASP A 15 15.804 12.593 -7.905 1.00 25.05 C ATOM 203 O ASP A 15 15.320 12.650 -9.034 1.00 51.31 O ATOM 204 CB ASP A 15 17.966 11.369 -7.607 1.00 61.44 C ATOM 205 CG ASP A 15 18.778 11.039 -8.845 1.00 34.22 C ATOM 206 OD1 ASP A 15 18.264 11.247 -9.964 1.00 43.23 O ATOM 207 OD2 ASP A 15 19.926 10.573 -8.694 1.00 2.31 O ATOM 0 H ASP A 15 18.449 13.255 -6.007 1.00 35.40 H new ATOM 0 HA ASP A 15 17.723 13.288 -8.541 1.00 42.30 H new ATOM 0 HB2 ASP A 15 18.613 11.332 -6.731 1.00 61.44 H new ATOM 0 HB3 ASP A 15 17.197 10.609 -7.467 1.00 61.44 H new ATOM 212 N GLU A 16 15.073 12.397 -6.812 1.00 25.24 N ATOM 213 CA GLU A 16 13.626 12.233 -6.881 1.00 1.33 C ATOM 214 C GLU A 16 12.930 13.587 -6.984 1.00 51.24 C ATOM 215 O GLU A 16 11.989 13.756 -7.760 1.00 42.34 O ATOM 216 CB GLU A 16 13.117 11.478 -5.651 1.00 54.41 C ATOM 217 CG GLU A 16 14.105 10.459 -5.110 1.00 71.22 C ATOM 218 CD GLU A 16 13.453 9.127 -4.792 1.00 5.04 C ATOM 219 OE1 GLU A 16 13.140 8.377 -5.740 1.00 3.34 O ATOM 220 OE2 GLU A 16 13.257 8.835 -3.593 1.00 63.12 O ATOM 0 H GLU A 16 15.459 12.348 -5.869 1.00 25.24 H new ATOM 0 HA GLU A 16 13.393 11.655 -7.775 1.00 1.33 H new ATOM 0 HB2 GLU A 16 12.882 12.196 -4.866 1.00 54.41 H new ATOM 0 HB3 GLU A 16 12.187 10.970 -5.906 1.00 54.41 H new ATOM 0 HG2 GLU A 16 14.899 10.305 -5.840 1.00 71.22 H new ATOM 0 HG3 GLU A 16 14.573 10.855 -4.209 1.00 71.22 H new ATOM 227 N PHE A 17 13.399 14.549 -6.196 1.00 71.12 N ATOM 228 CA PHE A 17 12.821 15.888 -6.197 1.00 63.13 C ATOM 229 C PHE A 17 12.778 16.460 -7.611 1.00 51.31 C ATOM 230 O PHE A 17 11.812 17.120 -7.996 1.00 4.32 O ATOM 231 CB PHE A 17 13.627 16.815 -5.284 1.00 73.43 C ATOM 232 CG PHE A 17 14.032 18.102 -5.944 1.00 33.05 C ATOM 233 CD1 PHE A 17 15.028 18.119 -6.906 1.00 41.31 C ATOM 234 CD2 PHE A 17 13.416 19.295 -5.600 1.00 63.01 C ATOM 235 CE1 PHE A 17 15.403 19.302 -7.515 1.00 51.21 C ATOM 236 CE2 PHE A 17 13.787 20.481 -6.206 1.00 34.31 C ATOM 237 CZ PHE A 17 14.782 20.485 -7.164 1.00 31.44 C ATOM 0 H PHE A 17 14.178 14.426 -5.549 1.00 71.12 H new ATOM 0 HA PHE A 17 11.800 15.817 -5.821 1.00 63.13 H new ATOM 0 HB2 PHE A 17 13.036 17.041 -4.396 1.00 73.43 H new ATOM 0 HB3 PHE A 17 14.522 16.292 -4.947 1.00 73.43 H new ATOM 0 HD1 PHE A 17 15.518 17.197 -7.184 1.00 41.31 H new ATOM 0 HD2 PHE A 17 12.638 19.298 -4.851 1.00 63.01 H new ATOM 0 HE1 PHE A 17 16.181 19.301 -8.264 1.00 51.21 H new ATOM 0 HE2 PHE A 17 13.299 21.404 -5.930 1.00 34.31 H new ATOM 0 HZ PHE A 17 15.074 21.411 -7.638 1.00 31.44 H new ATOM 247 N ASP A 18 13.831 16.203 -8.379 1.00 53.24 N ATOM 248 CA ASP A 18 13.914 16.692 -9.751 1.00 31.31 C ATOM 249 C ASP A 18 12.896 15.987 -10.642 1.00 31.53 C ATOM 250 O ASP A 18 12.282 16.606 -11.510 1.00 64.34 O ATOM 251 CB ASP A 18 15.325 16.484 -10.304 1.00 54.11 C ATOM 252 CG ASP A 18 16.061 17.792 -10.517 1.00 24.12 C ATOM 253 OD1 ASP A 18 15.389 18.831 -10.686 1.00 45.12 O ATOM 254 OD2 ASP A 18 17.310 17.776 -10.513 1.00 11.51 O ATOM 0 H ASP A 18 14.639 15.659 -8.075 1.00 53.24 H new ATOM 0 HA ASP A 18 13.688 17.758 -9.745 1.00 31.31 H new ATOM 0 HB2 ASP A 18 15.893 15.858 -9.616 1.00 54.11 H new ATOM 0 HB3 ASP A 18 15.266 15.945 -11.250 1.00 54.11 H new ATOM 259 N ALA A 19 12.723 14.688 -10.420 1.00 72.43 N ATOM 260 CA ALA A 19 11.779 13.899 -11.202 1.00 30.50 C ATOM 261 C ALA A 19 10.462 14.644 -11.388 1.00 50.22 C ATOM 262 O ALA A 19 9.706 14.363 -12.317 1.00 73.04 O ATOM 263 CB ALA A 19 11.536 12.553 -10.534 1.00 60.05 C ATOM 0 H ALA A 19 13.224 14.160 -9.705 1.00 72.43 H new ATOM 0 HA ALA A 19 12.213 13.731 -12.188 1.00 30.50 H new ATOM 0 HB1 ALA A 19 10.829 11.974 -11.128 1.00 60.05 H new ATOM 0 HB2 ALA A 19 12.478 12.009 -10.458 1.00 60.05 H new ATOM 0 HB3 ALA A 19 11.127 12.711 -9.536 1.00 60.05 H new ATOM 269 N GLN A 20 10.195 15.595 -10.499 1.00 34.24 N ATOM 270 CA GLN A 20 8.967 16.379 -10.565 1.00 44.53 C ATOM 271 C GLN A 20 9.255 17.801 -11.037 1.00 2.03 C ATOM 272 O GLN A 20 8.632 18.291 -11.978 1.00 10.11 O ATOM 273 CB GLN A 20 8.283 16.412 -9.198 1.00 33.22 C ATOM 274 CG GLN A 20 7.227 15.333 -9.020 1.00 72.44 C ATOM 275 CD GLN A 20 7.478 14.121 -9.896 1.00 53.14 C ATOM 276 OE1 GLN A 20 6.840 13.950 -10.936 1.00 64.30 O ATOM 277 NE2 GLN A 20 8.410 13.272 -9.480 1.00 43.34 N ATOM 0 H GLN A 20 10.812 15.841 -9.725 1.00 34.24 H new ATOM 0 HA GLN A 20 8.301 15.904 -11.285 1.00 44.53 H new ATOM 0 HB2 GLN A 20 9.039 16.301 -8.420 1.00 33.22 H new ATOM 0 HB3 GLN A 20 7.820 17.389 -9.056 1.00 33.22 H new ATOM 0 HG2 GLN A 20 7.202 15.023 -7.975 1.00 72.44 H new ATOM 0 HG3 GLN A 20 6.246 15.748 -9.253 1.00 72.44 H new ATOM 0 HE21 GLN A 20 8.914 13.453 -8.612 1.00 43.34 H new ATOM 0 HE22 GLN A 20 8.622 12.439 -10.028 1.00 43.34 H new ATOM 286 N MET A 21 10.203 18.458 -10.376 1.00 31.11 N ATOM 287 CA MET A 21 10.573 19.824 -10.729 1.00 25.54 C ATOM 288 C MET A 21 10.788 19.957 -12.233 1.00 1.31 C ATOM 289 O MET A 21 10.638 21.041 -12.798 1.00 72.15 O ATOM 290 CB MET A 21 11.842 20.240 -9.982 1.00 22.53 C ATOM 291 CG MET A 21 11.701 21.552 -9.228 1.00 32.12 C ATOM 292 SD MET A 21 11.240 21.315 -7.501 1.00 22.43 S ATOM 293 CE MET A 21 9.764 20.316 -7.678 1.00 63.51 C ATOM 0 H MET A 21 10.728 18.067 -9.594 1.00 31.11 H new ATOM 0 HA MET A 21 9.755 20.483 -10.437 1.00 25.54 H new ATOM 0 HB2 MET A 21 12.114 19.453 -9.278 1.00 22.53 H new ATOM 0 HB3 MET A 21 12.662 20.327 -10.695 1.00 22.53 H new ATOM 0 HG2 MET A 21 12.643 22.098 -9.277 1.00 32.12 H new ATOM 0 HG3 MET A 21 10.949 22.170 -9.719 1.00 32.12 H new ATOM 0 HE1 MET A 21 9.170 20.379 -6.766 1.00 63.51 H new ATOM 0 HE2 MET A 21 9.176 20.682 -8.520 1.00 63.51 H new ATOM 0 HE3 MET A 21 10.046 19.278 -7.856 1.00 63.51 H new ATOM 303 N THR A 22 11.141 18.849 -12.877 1.00 30.01 N ATOM 304 CA THR A 22 11.378 18.843 -14.315 1.00 13.11 C ATOM 305 C THR A 22 10.106 18.495 -15.080 1.00 60.11 C ATOM 306 O THR A 22 9.962 18.836 -16.254 1.00 65.45 O ATOM 307 CB THR A 22 12.484 17.842 -14.698 1.00 41.10 C ATOM 308 OG1 THR A 22 13.737 18.523 -14.830 1.00 53.30 O ATOM 309 CG2 THR A 22 12.146 17.135 -16.002 1.00 30.44 C ATOM 0 H THR A 22 11.269 17.944 -12.425 1.00 30.01 H new ATOM 0 HA THR A 22 11.699 19.849 -14.587 1.00 13.11 H new ATOM 0 HB THR A 22 12.558 17.096 -13.907 1.00 41.10 H new ATOM 0 HG1 THR A 22 14.435 17.879 -15.072 1.00 53.30 H new ATOM 0 HG21 THR A 22 12.942 16.433 -16.252 1.00 30.44 H new ATOM 0 HG22 THR A 22 11.207 16.594 -15.890 1.00 30.44 H new ATOM 0 HG23 THR A 22 12.047 17.871 -16.800 1.00 30.44 H new ATOM 317 N LYS A 23 9.184 17.815 -14.407 1.00 70.44 N ATOM 318 CA LYS A 23 7.922 17.421 -15.023 1.00 10.42 C ATOM 319 C LYS A 23 6.905 18.556 -14.950 1.00 74.54 C ATOM 320 O LYS A 23 5.697 18.319 -14.934 1.00 61.44 O ATOM 321 CB LYS A 23 7.362 16.175 -14.334 1.00 72.33 C ATOM 322 CG LYS A 23 7.759 14.875 -15.012 1.00 62.04 C ATOM 323 CD LYS A 23 7.534 13.679 -14.102 1.00 52.50 C ATOM 324 CE LYS A 23 8.623 12.632 -14.277 1.00 40.41 C ATOM 325 NZ LYS A 23 8.082 11.353 -14.813 1.00 55.04 N ATOM 0 H LYS A 23 9.287 17.525 -13.434 1.00 70.44 H new ATOM 0 HA LYS A 23 8.113 17.194 -16.072 1.00 10.42 H new ATOM 0 HB2 LYS A 23 7.707 16.156 -13.300 1.00 72.33 H new ATOM 0 HB3 LYS A 23 6.274 16.243 -14.306 1.00 72.33 H new ATOM 0 HG2 LYS A 23 7.181 14.750 -15.928 1.00 62.04 H new ATOM 0 HG3 LYS A 23 8.809 14.921 -15.301 1.00 62.04 H new ATOM 0 HD2 LYS A 23 7.510 14.010 -13.064 1.00 52.50 H new ATOM 0 HD3 LYS A 23 6.562 13.234 -14.318 1.00 52.50 H new ATOM 0 HE2 LYS A 23 9.389 13.014 -14.952 1.00 40.41 H new ATOM 0 HE3 LYS A 23 9.107 12.448 -13.318 1.00 40.41 H new ATOM 0 HZ1 LYS A 23 8.855 10.666 -14.918 1.00 55.04 H new ATOM 0 HZ2 LYS A 23 7.370 10.975 -14.156 1.00 55.04 H new ATOM 0 HZ3 LYS A 23 7.642 11.523 -15.740 1.00 55.04 H new ATOM 339 N ALA A 24 7.401 19.788 -14.908 1.00 72.31 N ATOM 340 CA ALA A 24 6.535 20.958 -14.841 1.00 54.11 C ATOM 341 C ALA A 24 6.872 21.955 -15.945 1.00 24.14 C ATOM 342 O ALA A 24 5.983 22.480 -16.615 1.00 1.22 O ATOM 343 CB ALA A 24 6.647 21.621 -13.476 1.00 64.31 C ATOM 0 H ALA A 24 8.398 20.002 -14.919 1.00 72.31 H new ATOM 0 HA ALA A 24 5.507 20.627 -14.988 1.00 54.11 H new ATOM 0 HB1 ALA A 24 5.995 22.493 -13.441 1.00 64.31 H new ATOM 0 HB2 ALA A 24 6.349 20.913 -12.702 1.00 64.31 H new ATOM 0 HB3 ALA A 24 7.678 21.932 -13.306 1.00 64.31 H new ATOM 349 N LYS A 25 8.163 22.212 -16.128 1.00 51.14 N ATOM 350 CA LYS A 25 8.619 23.146 -17.151 1.00 64.32 C ATOM 351 C LYS A 25 8.335 22.604 -18.548 1.00 65.44 C ATOM 352 O LYS A 25 7.935 23.348 -19.443 1.00 32.05 O ATOM 353 CB LYS A 25 10.117 23.416 -16.992 1.00 43.01 C ATOM 354 CG LYS A 25 10.974 22.165 -17.078 1.00 73.44 C ATOM 355 CD LYS A 25 12.074 22.169 -16.031 1.00 22.23 C ATOM 356 CE LYS A 25 12.739 23.533 -15.926 1.00 61.31 C ATOM 357 NZ LYS A 25 14.223 23.434 -16.001 1.00 21.54 N ATOM 0 H LYS A 25 8.912 21.787 -15.581 1.00 51.14 H new ATOM 0 HA LYS A 25 8.072 24.080 -17.025 1.00 64.32 H new ATOM 0 HB2 LYS A 25 10.435 24.117 -17.763 1.00 43.01 H new ATOM 0 HB3 LYS A 25 10.290 23.899 -16.031 1.00 43.01 H new ATOM 0 HG2 LYS A 25 10.347 21.284 -16.945 1.00 73.44 H new ATOM 0 HG3 LYS A 25 11.417 22.094 -18.072 1.00 73.44 H new ATOM 0 HD2 LYS A 25 11.657 21.891 -15.063 1.00 22.23 H new ATOM 0 HD3 LYS A 25 12.821 21.417 -16.284 1.00 22.23 H new ATOM 0 HE2 LYS A 25 12.377 24.176 -16.728 1.00 61.31 H new ATOM 0 HE3 LYS A 25 12.454 24.005 -14.986 1.00 61.31 H new ATOM 0 HZ1 LYS A 25 14.639 24.384 -15.926 1.00 21.54 H new ATOM 0 HZ2 LYS A 25 14.571 22.841 -15.221 1.00 21.54 H new ATOM 0 HZ3 LYS A 25 14.497 23.007 -16.909 1.00 21.54 H new ATOM 371 N GLU A 26 8.545 21.303 -18.728 1.00 14.14 N ATOM 372 CA GLU A 26 8.310 20.663 -20.017 1.00 31.25 C ATOM 373 C GLU A 26 6.856 20.217 -20.146 1.00 23.32 C ATOM 374 O GLU A 26 6.250 20.342 -21.209 1.00 71.32 O ATOM 375 CB GLU A 26 9.241 19.461 -20.191 1.00 41.32 C ATOM 376 CG GLU A 26 9.542 18.731 -18.893 1.00 71.44 C ATOM 377 CD GLU A 26 9.760 17.244 -19.098 1.00 4.11 C ATOM 378 OE1 GLU A 26 9.088 16.661 -19.975 1.00 3.53 O ATOM 379 OE2 GLU A 26 10.603 16.664 -18.382 1.00 34.52 O ATOM 0 H GLU A 26 8.877 20.673 -17.998 1.00 14.14 H new ATOM 0 HA GLU A 26 8.519 21.392 -20.800 1.00 31.25 H new ATOM 0 HB2 GLU A 26 8.790 18.762 -20.895 1.00 41.32 H new ATOM 0 HB3 GLU A 26 10.178 19.799 -20.634 1.00 41.32 H new ATOM 0 HG2 GLU A 26 10.430 19.165 -18.434 1.00 71.44 H new ATOM 0 HG3 GLU A 26 8.717 18.881 -18.196 1.00 71.44 H new ATOM 386 N ALA A 27 6.304 19.695 -19.055 1.00 43.30 N ATOM 387 CA ALA A 27 4.922 19.232 -19.045 1.00 64.21 C ATOM 388 C ALA A 27 3.953 20.392 -19.240 1.00 13.42 C ATOM 389 O ALA A 27 2.868 20.222 -19.795 1.00 63.41 O ATOM 390 CB ALA A 27 4.620 18.501 -17.745 1.00 41.22 C ATOM 0 H ALA A 27 6.793 19.582 -18.167 1.00 43.30 H new ATOM 0 HA ALA A 27 4.790 18.540 -19.877 1.00 64.21 H new ATOM 0 HB1 ALA A 27 3.585 18.161 -17.751 1.00 41.22 H new ATOM 0 HB2 ALA A 27 5.284 17.642 -17.648 1.00 41.22 H new ATOM 0 HB3 ALA A 27 4.775 19.176 -16.903 1.00 41.22 H new ATOM 396 N GLY A 28 4.351 21.574 -18.778 1.00 14.11 N ATOM 397 CA GLY A 28 3.504 22.745 -18.910 1.00 42.52 C ATOM 398 C GLY A 28 2.551 22.907 -17.743 1.00 33.30 C ATOM 399 O GLY A 28 1.415 23.349 -17.916 1.00 12.14 O ATOM 0 H GLY A 28 5.244 21.741 -18.315 1.00 14.11 H new ATOM 0 HA2 GLY A 28 4.129 23.634 -18.990 1.00 42.52 H new ATOM 0 HA3 GLY A 28 2.932 22.673 -19.835 1.00 42.52 H new ATOM 403 N LYS A 29 3.012 22.545 -16.550 1.00 54.53 N ATOM 404 CA LYS A 29 2.193 22.651 -15.349 1.00 15.43 C ATOM 405 C LYS A 29 2.976 23.298 -14.211 1.00 65.30 C ATOM 406 O LYS A 29 4.208 23.305 -14.218 1.00 35.34 O ATOM 407 CB LYS A 29 1.698 21.268 -14.920 1.00 61.01 C ATOM 408 CG LYS A 29 2.808 20.343 -14.452 1.00 4.41 C ATOM 409 CD LYS A 29 2.311 18.918 -14.278 1.00 41.13 C ATOM 410 CE LYS A 29 1.437 18.487 -15.446 1.00 33.23 C ATOM 411 NZ LYS A 29 1.428 17.007 -15.615 1.00 15.31 N ATOM 0 H LYS A 29 3.949 22.175 -16.390 1.00 54.53 H new ATOM 0 HA LYS A 29 1.335 23.282 -15.580 1.00 15.43 H new ATOM 0 HB2 LYS A 29 0.971 21.385 -14.116 1.00 61.01 H new ATOM 0 HB3 LYS A 29 1.177 20.802 -15.756 1.00 61.01 H new ATOM 0 HG2 LYS A 29 3.624 20.359 -15.174 1.00 4.41 H new ATOM 0 HG3 LYS A 29 3.211 20.706 -13.507 1.00 4.41 H new ATOM 0 HD2 LYS A 29 3.162 18.243 -14.190 1.00 41.13 H new ATOM 0 HD3 LYS A 29 1.745 18.840 -13.350 1.00 41.13 H new ATOM 0 HE2 LYS A 29 0.418 18.841 -15.287 1.00 33.23 H new ATOM 0 HE3 LYS A 29 1.798 18.955 -16.362 1.00 33.23 H new ATOM 0 HZ1 LYS A 29 0.821 16.753 -16.421 1.00 15.31 H new ATOM 0 HZ2 LYS A 29 2.397 16.672 -15.792 1.00 15.31 H new ATOM 0 HZ3 LYS A 29 1.060 16.561 -14.751 1.00 15.31 H new ATOM 425 N VAL A 30 2.255 23.839 -13.234 1.00 65.12 N ATOM 426 CA VAL A 30 2.884 24.485 -12.088 1.00 52.22 C ATOM 427 C VAL A 30 3.540 23.460 -11.171 1.00 21.24 C ATOM 428 O VAL A 30 3.220 22.272 -11.220 1.00 2.05 O ATOM 429 CB VAL A 30 1.863 25.305 -11.277 1.00 20.02 C ATOM 430 CG1 VAL A 30 1.968 24.973 -9.796 1.00 12.40 C ATOM 431 CG2 VAL A 30 2.067 26.794 -11.514 1.00 31.31 C ATOM 0 H VAL A 30 1.235 23.843 -13.213 1.00 65.12 H new ATOM 0 HA VAL A 30 3.647 25.156 -12.482 1.00 52.22 H new ATOM 0 HB VAL A 30 0.861 25.041 -11.614 1.00 20.02 H new ATOM 0 HG11 VAL A 30 1.239 25.562 -9.239 1.00 12.40 H new ATOM 0 HG12 VAL A 30 1.768 23.912 -9.646 1.00 12.40 H new ATOM 0 HG13 VAL A 30 2.972 25.207 -9.441 1.00 12.40 H new ATOM 0 HG21 VAL A 30 1.337 27.358 -10.933 1.00 31.31 H new ATOM 0 HG22 VAL A 30 3.073 27.077 -11.205 1.00 31.31 H new ATOM 0 HG23 VAL A 30 1.937 27.015 -12.573 1.00 31.31 H new ATOM 441 N VAL A 31 4.460 23.927 -10.333 1.00 25.12 N ATOM 442 CA VAL A 31 5.162 23.051 -9.402 1.00 34.13 C ATOM 443 C VAL A 31 4.786 23.369 -7.959 1.00 0.22 C ATOM 444 O VAL A 31 4.532 24.523 -7.613 1.00 41.52 O ATOM 445 CB VAL A 31 6.689 23.170 -9.561 1.00 70.22 C ATOM 446 CG1 VAL A 31 7.402 22.491 -8.401 1.00 74.15 C ATOM 447 CG2 VAL A 31 7.133 22.578 -10.890 1.00 41.35 C ATOM 0 H VAL A 31 4.737 24.907 -10.280 1.00 25.12 H new ATOM 0 HA VAL A 31 4.859 22.031 -9.638 1.00 34.13 H new ATOM 0 HB VAL A 31 6.957 24.227 -9.552 1.00 70.22 H new ATOM 0 HG11 VAL A 31 8.480 22.586 -8.531 1.00 74.15 H new ATOM 0 HG12 VAL A 31 7.106 22.965 -7.465 1.00 74.15 H new ATOM 0 HG13 VAL A 31 7.131 21.436 -8.375 1.00 74.15 H new ATOM 0 HG21 VAL A 31 8.215 22.670 -10.986 1.00 41.35 H new ATOM 0 HG22 VAL A 31 6.854 21.525 -10.931 1.00 41.35 H new ATOM 0 HG23 VAL A 31 6.649 23.114 -11.707 1.00 41.35 H new ATOM 457 N ILE A 32 4.753 22.339 -7.121 1.00 22.42 N ATOM 458 CA ILE A 32 4.410 22.509 -5.714 1.00 62.14 C ATOM 459 C ILE A 32 5.240 21.585 -4.830 1.00 64.32 C ATOM 460 O ILE A 32 4.906 20.413 -4.654 1.00 22.22 O ATOM 461 CB ILE A 32 2.916 22.236 -5.462 1.00 74.14 C ATOM 462 CG1 ILE A 32 2.055 23.054 -6.428 1.00 4.24 C ATOM 463 CG2 ILE A 32 2.554 22.557 -4.020 1.00 3.01 C ATOM 464 CD1 ILE A 32 1.603 22.275 -7.643 1.00 2.31 C ATOM 0 H ILE A 32 4.960 21.377 -7.392 1.00 22.42 H new ATOM 0 HA ILE A 32 4.630 23.546 -5.459 1.00 62.14 H new ATOM 0 HB ILE A 32 2.721 21.178 -5.638 1.00 74.14 H new ATOM 0 HG12 ILE A 32 1.178 23.423 -5.896 1.00 4.24 H new ATOM 0 HG13 ILE A 32 2.620 23.927 -6.756 1.00 4.24 H new ATOM 0 HG21 ILE A 32 1.494 22.359 -3.858 1.00 3.01 H new ATOM 0 HG22 ILE A 32 3.146 21.935 -3.349 1.00 3.01 H new ATOM 0 HG23 ILE A 32 2.761 23.608 -3.818 1.00 3.01 H new ATOM 0 HD11 ILE A 32 0.998 22.917 -8.283 1.00 2.31 H new ATOM 0 HD12 ILE A 32 2.475 21.928 -8.198 1.00 2.31 H new ATOM 0 HD13 ILE A 32 1.010 21.417 -7.325 1.00 2.31 H new ATOM 476 N ILE A 33 6.323 22.120 -4.276 1.00 14.33 N ATOM 477 CA ILE A 33 7.199 21.344 -3.407 1.00 51.31 C ATOM 478 C ILE A 33 6.853 21.564 -1.938 1.00 54.55 C ATOM 479 O ILE A 33 6.777 22.701 -1.471 1.00 43.15 O ATOM 480 CB ILE A 33 8.679 21.705 -3.634 1.00 20.14 C ATOM 481 CG1 ILE A 33 8.892 22.204 -5.064 1.00 52.31 C ATOM 482 CG2 ILE A 33 9.567 20.502 -3.349 1.00 14.50 C ATOM 483 CD1 ILE A 33 8.774 23.706 -5.204 1.00 32.23 C ATOM 0 H ILE A 33 6.615 23.088 -4.414 1.00 14.33 H new ATOM 0 HA ILE A 33 7.046 20.295 -3.660 1.00 51.31 H new ATOM 0 HB ILE A 33 8.952 22.505 -2.946 1.00 20.14 H new ATOM 0 HG12 ILE A 33 9.879 21.892 -5.406 1.00 52.31 H new ATOM 0 HG13 ILE A 33 8.162 21.728 -5.719 1.00 52.31 H new ATOM 0 HG21 ILE A 33 10.610 20.772 -3.514 1.00 14.50 H new ATOM 0 HG22 ILE A 33 9.433 20.188 -2.314 1.00 14.50 H new ATOM 0 HG23 ILE A 33 9.295 19.683 -4.015 1.00 14.50 H new ATOM 0 HD11 ILE A 33 8.937 23.988 -6.244 1.00 32.23 H new ATOM 0 HD12 ILE A 33 7.779 24.023 -4.893 1.00 32.23 H new ATOM 0 HD13 ILE A 33 9.522 24.190 -4.576 1.00 32.23 H new ATOM 495 N ASP A 34 6.645 20.470 -1.215 1.00 74.10 N ATOM 496 CA ASP A 34 6.309 20.543 0.202 1.00 22.53 C ATOM 497 C ASP A 34 7.525 20.220 1.066 1.00 52.13 C ATOM 498 O ASP A 34 7.711 19.080 1.493 1.00 43.52 O ATOM 499 CB ASP A 34 5.167 19.579 0.528 1.00 52.01 C ATOM 500 CG ASP A 34 4.965 19.404 2.020 1.00 32.22 C ATOM 501 OD1 ASP A 34 4.835 20.426 2.726 1.00 53.32 O ATOM 502 OD2 ASP A 34 4.936 18.244 2.482 1.00 11.35 O ATOM 0 H ASP A 34 6.703 19.522 -1.586 1.00 74.10 H new ATOM 0 HA ASP A 34 5.989 21.561 0.422 1.00 22.53 H new ATOM 0 HB2 ASP A 34 4.244 19.949 0.080 1.00 52.01 H new ATOM 0 HB3 ASP A 34 5.374 18.609 0.076 1.00 52.01 H new ATOM 507 N PHE A 35 8.350 21.231 1.318 1.00 71.21 N ATOM 508 CA PHE A 35 9.549 21.055 2.129 1.00 62.44 C ATOM 509 C PHE A 35 9.200 20.486 3.501 1.00 55.51 C ATOM 510 O PHE A 35 8.079 20.030 3.730 1.00 12.43 O ATOM 511 CB PHE A 35 10.283 22.388 2.288 1.00 61.30 C ATOM 512 CG PHE A 35 11.121 22.757 1.097 1.00 12.02 C ATOM 513 CD1 PHE A 35 12.180 21.955 0.703 1.00 74.11 C ATOM 514 CD2 PHE A 35 10.849 23.906 0.372 1.00 61.21 C ATOM 515 CE1 PHE A 35 12.952 22.293 -0.392 1.00 23.00 C ATOM 516 CE2 PHE A 35 11.618 24.249 -0.724 1.00 62.23 C ATOM 517 CZ PHE A 35 12.671 23.441 -1.107 1.00 74.51 C ATOM 0 H PHE A 35 8.210 22.180 0.972 1.00 71.21 H new ATOM 0 HA PHE A 35 10.202 20.347 1.618 1.00 62.44 H new ATOM 0 HB2 PHE A 35 9.552 23.177 2.466 1.00 61.30 H new ATOM 0 HB3 PHE A 35 10.921 22.339 3.170 1.00 61.30 H new ATOM 0 HD1 PHE A 35 12.404 21.056 1.258 1.00 74.11 H new ATOM 0 HD2 PHE A 35 10.027 24.541 0.667 1.00 61.21 H new ATOM 0 HE1 PHE A 35 13.775 21.660 -0.689 1.00 23.00 H new ATOM 0 HE2 PHE A 35 11.396 25.148 -1.280 1.00 62.23 H new ATOM 0 HZ PHE A 35 13.273 23.706 -1.963 1.00 74.51 H new ATOM 527 N THR A 36 10.168 20.517 4.412 1.00 74.34 N ATOM 528 CA THR A 36 9.964 20.004 5.761 1.00 63.25 C ATOM 529 C THR A 36 11.294 19.799 6.477 1.00 20.30 C ATOM 530 O THR A 36 12.207 19.171 5.943 1.00 65.15 O ATOM 531 CB THR A 36 9.192 18.671 5.744 1.00 11.24 C ATOM 532 OG1 THR A 36 9.402 17.968 6.974 1.00 43.01 O ATOM 533 CG2 THR A 36 9.634 17.803 4.576 1.00 45.41 C ATOM 0 H THR A 36 11.101 20.892 4.240 1.00 74.34 H new ATOM 0 HA THR A 36 9.376 20.749 6.298 1.00 63.25 H new ATOM 0 HB THR A 36 8.131 18.893 5.629 1.00 11.24 H new ATOM 0 HG1 THR A 36 8.907 17.122 6.956 1.00 43.01 H new ATOM 0 HG21 THR A 36 9.075 16.868 4.586 1.00 45.41 H new ATOM 0 HG22 THR A 36 9.445 18.329 3.640 1.00 45.41 H new ATOM 0 HG23 THR A 36 10.699 17.590 4.664 1.00 45.41 H new ATOM 629 N ARG A 44 -0.307 14.441 8.969 1.00 14.13 N ATOM 630 CA ARG A 44 -1.376 13.514 9.320 1.00 34.01 C ATOM 631 C ARG A 44 -2.744 14.155 9.106 1.00 13.32 C ATOM 632 O ARG A 44 -3.537 13.694 8.285 1.00 64.53 O ATOM 633 CB ARG A 44 -1.234 13.065 10.776 1.00 63.15 C ATOM 634 CG ARG A 44 -2.499 13.252 11.597 1.00 24.04 C ATOM 635 CD ARG A 44 -2.476 12.400 12.857 1.00 61.34 C ATOM 636 NE ARG A 44 -3.181 13.040 13.964 1.00 42.12 N ATOM 637 CZ ARG A 44 -4.503 13.157 14.024 1.00 44.32 C ATOM 638 NH1 ARG A 44 -5.259 12.679 13.045 1.00 1.34 N ATOM 639 NH2 ARG A 44 -5.070 13.753 15.065 1.00 54.14 N ATOM 0 HA ARG A 44 -1.296 12.644 8.669 1.00 34.01 H new ATOM 0 HB2 ARG A 44 -0.950 12.013 10.797 1.00 63.15 H new ATOM 0 HB3 ARG A 44 -0.422 13.624 11.242 1.00 63.15 H new ATOM 0 HG2 ARG A 44 -2.606 14.302 11.868 1.00 24.04 H new ATOM 0 HG3 ARG A 44 -3.368 12.988 10.994 1.00 24.04 H new ATOM 0 HD2 ARG A 44 -2.932 11.432 12.648 1.00 61.34 H new ATOM 0 HD3 ARG A 44 -1.443 12.210 13.147 1.00 61.34 H new ATOM 0 HE ARG A 44 -2.628 13.418 14.733 1.00 42.12 H new ATOM 0 HH11 ARG A 44 -4.826 12.220 12.244 1.00 1.34 H new ATOM 0 HH12 ARG A 44 -6.274 12.770 13.093 1.00 1.34 H new ATOM 0 HH21 ARG A 44 -4.491 14.122 15.819 1.00 54.14 H new ATOM 0 HH22 ARG A 44 -6.085 13.843 15.111 1.00 54.14 H new ATOM 653 N PHE A 45 -3.015 15.222 9.851 1.00 30.24 N ATOM 654 CA PHE A 45 -4.288 15.926 9.745 1.00 64.03 C ATOM 655 C PHE A 45 -4.540 16.379 8.310 1.00 44.43 C ATOM 656 O PHE A 45 -5.654 16.266 7.798 1.00 30.14 O ATOM 657 CB PHE A 45 -4.307 17.134 10.684 1.00 63.30 C ATOM 658 CG PHE A 45 -5.534 17.987 10.538 1.00 32.14 C ATOM 659 CD1 PHE A 45 -6.756 17.556 11.029 1.00 71.40 C ATOM 660 CD2 PHE A 45 -5.466 19.220 9.910 1.00 13.13 C ATOM 661 CE1 PHE A 45 -7.888 18.338 10.897 1.00 4.40 C ATOM 662 CE2 PHE A 45 -6.594 20.007 9.776 1.00 52.42 C ATOM 663 CZ PHE A 45 -7.807 19.566 10.269 1.00 65.44 C ATOM 0 H PHE A 45 -2.370 15.618 10.535 1.00 30.24 H new ATOM 0 HA PHE A 45 -5.081 15.237 10.035 1.00 64.03 H new ATOM 0 HB2 PHE A 45 -4.238 16.785 11.714 1.00 63.30 H new ATOM 0 HB3 PHE A 45 -3.425 17.745 10.495 1.00 63.30 H new ATOM 0 HD1 PHE A 45 -6.825 16.597 11.521 1.00 71.40 H new ATOM 0 HD2 PHE A 45 -4.521 19.570 9.521 1.00 13.13 H new ATOM 0 HE1 PHE A 45 -8.834 17.990 11.284 1.00 4.40 H new ATOM 0 HE2 PHE A 45 -6.527 20.967 9.286 1.00 52.42 H new ATOM 0 HZ PHE A 45 -8.690 20.180 10.164 1.00 65.44 H new ATOM 673 N ILE A 46 -3.497 16.894 7.666 1.00 21.34 N ATOM 674 CA ILE A 46 -3.605 17.364 6.291 1.00 64.11 C ATOM 675 C ILE A 46 -2.946 16.387 5.323 1.00 73.31 C ATOM 676 O ILE A 46 -2.757 16.695 4.147 1.00 50.13 O ATOM 677 CB ILE A 46 -2.961 18.752 6.118 1.00 4.25 C ATOM 678 CG1 ILE A 46 -3.575 19.478 4.920 1.00 12.31 C ATOM 679 CG2 ILE A 46 -1.454 18.620 5.949 1.00 15.12 C ATOM 680 CD1 ILE A 46 -3.494 20.985 5.020 1.00 13.42 C ATOM 0 H ILE A 46 -2.568 16.996 8.075 1.00 21.34 H new ATOM 0 HA ILE A 46 -4.669 17.435 6.065 1.00 64.11 H new ATOM 0 HB ILE A 46 -3.156 19.341 7.014 1.00 4.25 H new ATOM 0 HG12 ILE A 46 -3.068 19.155 4.011 1.00 12.31 H new ATOM 0 HG13 ILE A 46 -4.620 19.184 4.824 1.00 12.31 H new ATOM 0 HG21 ILE A 46 -1.013 19.610 5.828 1.00 15.12 H new ATOM 0 HG22 ILE A 46 -1.030 18.139 6.831 1.00 15.12 H new ATOM 0 HG23 ILE A 46 -1.238 18.016 5.067 1.00 15.12 H new ATOM 0 HD11 ILE A 46 -3.948 21.433 4.136 1.00 13.42 H new ATOM 0 HD12 ILE A 46 -4.026 21.320 5.911 1.00 13.42 H new ATOM 0 HD13 ILE A 46 -2.449 21.290 5.085 1.00 13.42 H new ATOM 692 N ALA A 47 -2.601 15.206 5.826 1.00 41.11 N ATOM 693 CA ALA A 47 -1.967 14.182 5.005 1.00 34.30 C ATOM 694 C ALA A 47 -2.833 13.831 3.800 1.00 73.12 C ATOM 695 O ALA A 47 -2.394 13.890 2.651 1.00 11.22 O ATOM 696 CB ALA A 47 -1.687 12.938 5.836 1.00 51.31 C ATOM 0 H ALA A 47 -2.750 14.935 6.798 1.00 41.11 H new ATOM 0 HA ALA A 47 -1.022 14.580 4.637 1.00 34.30 H new ATOM 0 HB1 ALA A 47 -1.213 12.181 5.210 1.00 51.31 H new ATOM 0 HB2 ALA A 47 -1.023 13.194 6.662 1.00 51.31 H new ATOM 0 HB3 ALA A 47 -2.624 12.547 6.232 1.00 51.31 H new ATOM 702 N PRO A 48 -4.093 13.456 4.065 1.00 75.43 N ATOM 703 CA PRO A 48 -5.047 13.088 3.014 1.00 32.51 C ATOM 704 C PRO A 48 -5.477 14.286 2.175 1.00 3.21 C ATOM 705 O PRO A 48 -6.340 14.171 1.305 1.00 32.43 O ATOM 706 CB PRO A 48 -6.238 12.528 3.796 1.00 12.14 C ATOM 707 CG PRO A 48 -6.151 13.177 5.134 1.00 10.24 C ATOM 708 CD PRO A 48 -4.684 13.362 5.410 1.00 15.32 C ATOM 0 HA PRO A 48 -4.617 12.383 2.303 1.00 32.51 H new ATOM 0 HB2 PRO A 48 -7.181 12.763 3.303 1.00 12.14 H new ATOM 0 HB3 PRO A 48 -6.183 11.443 3.878 1.00 12.14 H new ATOM 0 HG2 PRO A 48 -6.673 14.134 5.138 1.00 10.24 H new ATOM 0 HG3 PRO A 48 -6.617 12.557 5.900 1.00 10.24 H new ATOM 0 HD2 PRO A 48 -4.496 14.262 5.995 1.00 15.32 H new ATOM 0 HD3 PRO A 48 -4.272 12.524 5.972 1.00 15.32 H new ATOM 716 N VAL A 49 -4.868 15.438 2.441 1.00 31.44 N ATOM 717 CA VAL A 49 -5.187 16.658 1.710 1.00 65.25 C ATOM 718 C VAL A 49 -4.156 16.929 0.619 1.00 54.21 C ATOM 719 O VAL A 49 -4.509 17.202 -0.529 1.00 22.01 O ATOM 720 CB VAL A 49 -5.254 17.875 2.651 1.00 55.24 C ATOM 721 CG1 VAL A 49 -5.042 19.165 1.872 1.00 33.41 C ATOM 722 CG2 VAL A 49 -6.583 17.902 3.391 1.00 11.20 C ATOM 0 H VAL A 49 -4.151 15.551 3.158 1.00 31.44 H new ATOM 0 HA VAL A 49 -6.165 16.507 1.253 1.00 65.25 H new ATOM 0 HB VAL A 49 -4.455 17.788 3.387 1.00 55.24 H new ATOM 0 HG11 VAL A 49 -5.093 20.014 2.554 1.00 33.41 H new ATOM 0 HG12 VAL A 49 -4.064 19.143 1.392 1.00 33.41 H new ATOM 0 HG13 VAL A 49 -5.817 19.263 1.112 1.00 33.41 H new ATOM 0 HG21 VAL A 49 -6.614 18.768 4.052 1.00 11.20 H new ATOM 0 HG22 VAL A 49 -7.399 17.965 2.671 1.00 11.20 H new ATOM 0 HG23 VAL A 49 -6.689 16.992 3.981 1.00 11.20 H new ATOM 732 N PHE A 50 -2.881 16.852 0.985 1.00 52.03 N ATOM 733 CA PHE A 50 -1.798 17.090 0.037 1.00 34.24 C ATOM 734 C PHE A 50 -1.799 16.035 -1.065 1.00 50.13 C ATOM 735 O PHE A 50 -2.139 16.322 -2.213 1.00 33.44 O ATOM 736 CB PHE A 50 -0.450 17.087 0.761 1.00 41.15 C ATOM 737 CG PHE A 50 -0.354 18.113 1.853 1.00 3.03 C ATOM 738 CD1 PHE A 50 -1.286 19.134 1.948 1.00 73.53 C ATOM 739 CD2 PHE A 50 0.669 18.057 2.786 1.00 31.35 C ATOM 740 CE1 PHE A 50 -1.199 20.079 2.952 1.00 54.22 C ATOM 741 CE2 PHE A 50 0.761 18.999 3.793 1.00 14.42 C ATOM 742 CZ PHE A 50 -0.176 20.011 3.876 1.00 4.44 C ATOM 0 H PHE A 50 -2.572 16.627 1.931 1.00 52.03 H new ATOM 0 HA PHE A 50 -1.955 18.067 -0.420 1.00 34.24 H new ATOM 0 HB2 PHE A 50 -0.277 16.098 1.186 1.00 41.15 H new ATOM 0 HB3 PHE A 50 0.344 17.265 0.035 1.00 41.15 H new ATOM 0 HD1 PHE A 50 -2.090 19.192 1.229 1.00 73.53 H new ATOM 0 HD2 PHE A 50 1.403 17.267 2.725 1.00 31.35 H new ATOM 0 HE1 PHE A 50 -1.931 20.871 3.014 1.00 54.22 H new ATOM 0 HE2 PHE A 50 1.564 18.944 4.514 1.00 14.42 H new ATOM 0 HZ PHE A 50 -0.108 20.748 4.663 1.00 4.44 H new ATOM 752 N ALA A 51 -1.415 14.814 -0.708 1.00 44.11 N ATOM 753 CA ALA A 51 -1.372 13.716 -1.666 1.00 21.14 C ATOM 754 C ALA A 51 -2.635 13.682 -2.519 1.00 52.30 C ATOM 755 O ALA A 51 -2.564 13.599 -3.745 1.00 35.04 O ATOM 756 CB ALA A 51 -1.187 12.391 -0.941 1.00 64.11 C ATOM 0 H ALA A 51 -1.129 14.560 0.238 1.00 44.11 H new ATOM 0 HA ALA A 51 -0.522 13.877 -2.329 1.00 21.14 H new ATOM 0 HB1 ALA A 51 -1.157 11.580 -1.668 1.00 64.11 H new ATOM 0 HB2 ALA A 51 -0.253 12.411 -0.380 1.00 64.11 H new ATOM 0 HB3 ALA A 51 -2.019 12.232 -0.255 1.00 64.11 H new ATOM 762 N GLU A 52 -3.789 13.747 -1.863 1.00 33.15 N ATOM 763 CA GLU A 52 -5.068 13.722 -2.563 1.00 11.12 C ATOM 764 C GLU A 52 -5.203 14.925 -3.492 1.00 62.35 C ATOM 765 O GLU A 52 -5.826 14.838 -4.551 1.00 3.00 O ATOM 766 CB GLU A 52 -6.224 13.707 -1.560 1.00 23.10 C ATOM 767 CG GLU A 52 -6.799 15.084 -1.274 1.00 35.31 C ATOM 768 CD GLU A 52 -8.037 15.028 -0.399 1.00 42.40 C ATOM 769 OE1 GLU A 52 -8.881 14.136 -0.623 1.00 34.11 O ATOM 770 OE2 GLU A 52 -8.161 15.877 0.509 1.00 62.24 O ATOM 0 H GLU A 52 -3.865 13.817 -0.848 1.00 33.15 H new ATOM 0 HA GLU A 52 -5.106 12.814 -3.164 1.00 11.12 H new ATOM 0 HB2 GLU A 52 -7.017 13.064 -1.942 1.00 23.10 H new ATOM 0 HB3 GLU A 52 -5.877 13.266 -0.625 1.00 23.10 H new ATOM 0 HG2 GLU A 52 -6.041 15.696 -0.786 1.00 35.31 H new ATOM 0 HG3 GLU A 52 -7.046 15.574 -2.216 1.00 35.31 H new ATOM 777 N TYR A 53 -4.615 16.045 -3.089 1.00 11.41 N ATOM 778 CA TYR A 53 -4.671 17.267 -3.883 1.00 74.23 C ATOM 779 C TYR A 53 -3.836 17.130 -5.153 1.00 12.14 C ATOM 780 O TYR A 53 -4.280 17.489 -6.243 1.00 11.23 O ATOM 781 CB TYR A 53 -4.178 18.458 -3.061 1.00 10.33 C ATOM 782 CG TYR A 53 -5.242 19.062 -2.172 1.00 5.33 C ATOM 783 CD1 TYR A 53 -6.447 18.407 -1.954 1.00 31.40 C ATOM 784 CD2 TYR A 53 -5.042 20.289 -1.550 1.00 65.25 C ATOM 785 CE1 TYR A 53 -7.422 18.955 -1.143 1.00 72.22 C ATOM 786 CE2 TYR A 53 -6.010 20.844 -0.737 1.00 32.21 C ATOM 787 CZ TYR A 53 -7.199 20.173 -0.537 1.00 2.24 C ATOM 788 OH TYR A 53 -8.167 20.723 0.272 1.00 2.50 O ATOM 0 H TYR A 53 -4.094 16.133 -2.217 1.00 11.41 H new ATOM 0 HA TYR A 53 -5.709 17.437 -4.169 1.00 74.23 H new ATOM 0 HB2 TYR A 53 -3.338 18.140 -2.443 1.00 10.33 H new ATOM 0 HB3 TYR A 53 -3.803 19.226 -3.738 1.00 10.33 H new ATOM 0 HD1 TYR A 53 -6.625 17.452 -2.427 1.00 31.40 H new ATOM 0 HD2 TYR A 53 -4.113 20.817 -1.705 1.00 65.25 H new ATOM 0 HE1 TYR A 53 -8.354 18.432 -0.985 1.00 72.22 H new ATOM 0 HE2 TYR A 53 -5.838 21.798 -0.260 1.00 32.21 H new ATOM 0 HH TYR A 53 -8.324 21.654 0.008 1.00 2.50 H new ATOM 798 N ALA A 54 -2.624 16.607 -5.002 1.00 3.32 N ATOM 799 CA ALA A 54 -1.726 16.420 -6.135 1.00 32.21 C ATOM 800 C ALA A 54 -2.479 15.887 -7.349 1.00 52.03 C ATOM 801 O ALA A 54 -2.275 16.349 -8.472 1.00 5.31 O ATOM 802 CB ALA A 54 -0.592 15.478 -5.760 1.00 30.44 C ATOM 0 H ALA A 54 -2.241 16.305 -4.106 1.00 3.32 H new ATOM 0 HA ALA A 54 -1.305 17.391 -6.398 1.00 32.21 H new ATOM 0 HB1 ALA A 54 0.071 15.348 -6.616 1.00 30.44 H new ATOM 0 HB2 ALA A 54 -0.030 15.899 -4.926 1.00 30.44 H new ATOM 0 HB3 ALA A 54 -1.003 14.511 -5.469 1.00 30.44 H new ATOM 808 N LYS A 55 -3.351 14.911 -7.118 1.00 1.32 N ATOM 809 CA LYS A 55 -4.136 14.315 -8.192 1.00 64.03 C ATOM 810 C LYS A 55 -5.307 15.215 -8.575 1.00 23.55 C ATOM 811 O LYS A 55 -5.604 15.396 -9.755 1.00 40.24 O ATOM 812 CB LYS A 55 -4.653 12.938 -7.770 1.00 11.00 C ATOM 813 CG LYS A 55 -3.581 12.042 -7.174 1.00 13.25 C ATOM 814 CD LYS A 55 -4.187 10.942 -6.318 1.00 62.22 C ATOM 815 CE LYS A 55 -5.075 10.022 -7.141 1.00 73.50 C ATOM 816 NZ LYS A 55 -4.359 8.783 -7.555 1.00 11.24 N ATOM 0 H LYS A 55 -3.532 14.516 -6.195 1.00 1.32 H new ATOM 0 HA LYS A 55 -3.489 14.202 -9.062 1.00 64.03 H new ATOM 0 HB2 LYS A 55 -5.453 13.067 -7.041 1.00 11.00 H new ATOM 0 HB3 LYS A 55 -5.089 12.442 -8.637 1.00 11.00 H new ATOM 0 HG2 LYS A 55 -2.990 11.597 -7.975 1.00 13.25 H new ATOM 0 HG3 LYS A 55 -2.899 12.641 -6.570 1.00 13.25 H new ATOM 0 HD2 LYS A 55 -3.391 10.361 -5.853 1.00 62.22 H new ATOM 0 HD3 LYS A 55 -4.770 11.386 -5.511 1.00 62.22 H new ATOM 0 HE2 LYS A 55 -5.958 9.754 -6.560 1.00 73.50 H new ATOM 0 HE3 LYS A 55 -5.425 10.552 -8.027 1.00 73.50 H new ATOM 0 HZ1 LYS A 55 -4.999 8.183 -8.114 1.00 11.24 H new ATOM 0 HZ2 LYS A 55 -3.531 9.037 -8.131 1.00 11.24 H new ATOM 0 HZ3 LYS A 55 -4.047 8.263 -6.710 1.00 11.24 H new ATOM 830 N LYS A 56 -5.968 15.777 -7.568 1.00 61.25 N ATOM 831 CA LYS A 56 -7.105 16.660 -7.798 1.00 40.13 C ATOM 832 C LYS A 56 -6.724 17.807 -8.730 1.00 22.55 C ATOM 833 O LYS A 56 -7.558 18.314 -9.479 1.00 13.52 O ATOM 834 CB LYS A 56 -7.620 17.218 -6.470 1.00 34.02 C ATOM 835 CG LYS A 56 -8.250 16.167 -5.572 1.00 73.02 C ATOM 836 CD LYS A 56 -9.655 16.564 -5.150 1.00 21.33 C ATOM 837 CE LYS A 56 -9.654 17.870 -4.370 1.00 75.04 C ATOM 838 NZ LYS A 56 -11.036 18.330 -4.058 1.00 21.34 N ATOM 0 H LYS A 56 -5.735 15.636 -6.585 1.00 61.25 H new ATOM 0 HA LYS A 56 -7.895 16.078 -8.272 1.00 40.13 H new ATOM 0 HB2 LYS A 56 -6.793 17.690 -5.939 1.00 34.02 H new ATOM 0 HB3 LYS A 56 -8.354 17.998 -6.673 1.00 34.02 H new ATOM 0 HG2 LYS A 56 -8.283 15.212 -6.096 1.00 73.02 H new ATOM 0 HG3 LYS A 56 -7.630 16.024 -4.687 1.00 73.02 H new ATOM 0 HD2 LYS A 56 -10.286 16.667 -6.033 1.00 21.33 H new ATOM 0 HD3 LYS A 56 -10.089 15.774 -4.538 1.00 21.33 H new ATOM 0 HE2 LYS A 56 -9.097 17.739 -3.442 1.00 75.04 H new ATOM 0 HE3 LYS A 56 -9.137 18.637 -4.947 1.00 75.04 H new ATOM 0 HZ1 LYS A 56 -10.993 19.223 -3.526 1.00 21.34 H new ATOM 0 HZ2 LYS A 56 -11.560 18.480 -4.944 1.00 21.34 H new ATOM 0 HZ3 LYS A 56 -11.521 17.609 -3.486 1.00 21.34 H new ATOM 852 N PHE A 57 -5.458 18.209 -8.678 1.00 72.43 N ATOM 853 CA PHE A 57 -4.967 19.295 -9.518 1.00 24.11 C ATOM 854 C PHE A 57 -4.011 18.768 -10.585 1.00 15.11 C ATOM 855 O PHE A 57 -2.798 18.701 -10.389 1.00 22.40 O ATOM 856 CB PHE A 57 -4.262 20.350 -8.663 1.00 10.03 C ATOM 857 CG PHE A 57 -5.190 21.400 -8.122 1.00 4.41 C ATOM 858 CD1 PHE A 57 -5.462 22.546 -8.853 1.00 24.23 C ATOM 859 CD2 PHE A 57 -5.790 21.242 -6.883 1.00 42.23 C ATOM 860 CE1 PHE A 57 -6.314 23.514 -8.357 1.00 10.11 C ATOM 861 CE2 PHE A 57 -6.644 22.207 -6.383 1.00 4.05 C ATOM 862 CZ PHE A 57 -6.907 23.344 -7.121 1.00 3.00 C ATOM 0 H PHE A 57 -4.754 17.799 -8.064 1.00 72.43 H new ATOM 0 HA PHE A 57 -5.823 19.752 -10.015 1.00 24.11 H new ATOM 0 HB2 PHE A 57 -3.760 19.856 -7.831 1.00 10.03 H new ATOM 0 HB3 PHE A 57 -3.488 20.833 -9.260 1.00 10.03 H new ATOM 0 HD1 PHE A 57 -5.003 22.684 -9.821 1.00 24.23 H new ATOM 0 HD2 PHE A 57 -5.588 20.355 -6.301 1.00 42.23 H new ATOM 0 HE1 PHE A 57 -6.516 24.403 -8.935 1.00 10.11 H new ATOM 0 HE2 PHE A 57 -7.105 22.072 -5.416 1.00 4.05 H new ATOM 0 HZ PHE A 57 -7.575 24.099 -6.733 1.00 3.00 H new ATOM 872 N PRO A 58 -4.571 18.385 -11.742 1.00 31.30 N ATOM 873 CA PRO A 58 -3.788 17.857 -12.863 1.00 53.04 C ATOM 874 C PRO A 58 -2.925 18.927 -13.522 1.00 51.54 C ATOM 875 O PRO A 58 -2.166 18.644 -14.448 1.00 24.45 O ATOM 876 CB PRO A 58 -4.857 17.357 -13.838 1.00 54.22 C ATOM 877 CG PRO A 58 -6.066 18.169 -13.523 1.00 73.14 C ATOM 878 CD PRO A 58 -6.011 18.437 -12.045 1.00 12.51 C ATOM 0 HA PRO A 58 -3.088 17.085 -12.543 1.00 53.04 H new ATOM 0 HB2 PRO A 58 -4.545 17.496 -14.873 1.00 54.22 H new ATOM 0 HB3 PRO A 58 -5.049 16.292 -13.703 1.00 54.22 H new ATOM 0 HG2 PRO A 58 -6.069 19.101 -14.089 1.00 73.14 H new ATOM 0 HG3 PRO A 58 -6.977 17.632 -13.789 1.00 73.14 H new ATOM 0 HD2 PRO A 58 -6.439 19.408 -11.797 1.00 12.51 H new ATOM 0 HD3 PRO A 58 -6.568 17.689 -11.480 1.00 12.51 H new ATOM 886 N GLY A 59 -3.047 20.160 -13.039 1.00 11.21 N ATOM 887 CA GLY A 59 -2.272 21.254 -13.593 1.00 45.42 C ATOM 888 C GLY A 59 -0.982 21.495 -12.833 1.00 34.21 C ATOM 889 O GLY A 59 -0.388 22.568 -12.929 1.00 12.10 O ATOM 0 H GLY A 59 -3.669 20.420 -12.274 1.00 11.21 H new ATOM 0 HA2 GLY A 59 -2.041 21.039 -14.636 1.00 45.42 H new ATOM 0 HA3 GLY A 59 -2.873 22.163 -13.580 1.00 45.42 H new ATOM 893 N ALA A 60 -0.550 20.494 -12.074 1.00 24.45 N ATOM 894 CA ALA A 60 0.677 20.601 -11.294 1.00 2.21 C ATOM 895 C ALA A 60 1.339 19.238 -11.121 1.00 10.33 C ATOM 896 O ALA A 60 0.713 18.201 -11.339 1.00 21.11 O ATOM 897 CB ALA A 60 0.387 21.226 -9.937 1.00 22.50 C ATOM 0 H ALA A 60 -1.031 19.599 -11.982 1.00 24.45 H new ATOM 0 HA ALA A 60 1.369 21.245 -11.838 1.00 2.21 H new ATOM 0 HB1 ALA A 60 1.312 21.300 -9.365 1.00 22.50 H new ATOM 0 HB2 ALA A 60 -0.033 22.222 -10.077 1.00 22.50 H new ATOM 0 HB3 ALA A 60 -0.326 20.605 -9.395 1.00 22.50 H new ATOM 903 N VAL A 61 2.609 19.248 -10.728 1.00 32.23 N ATOM 904 CA VAL A 61 3.356 18.012 -10.525 1.00 15.01 C ATOM 905 C VAL A 61 3.330 17.589 -9.061 1.00 22.35 C ATOM 906 O VAL A 61 3.254 16.400 -8.748 1.00 14.32 O ATOM 907 CB VAL A 61 4.820 18.160 -10.980 1.00 35.20 C ATOM 908 CG1 VAL A 61 4.889 18.429 -12.475 1.00 65.24 C ATOM 909 CG2 VAL A 61 5.511 19.266 -10.198 1.00 0.31 C ATOM 0 H VAL A 61 3.142 20.098 -10.544 1.00 32.23 H new ATOM 0 HA VAL A 61 2.871 17.246 -11.130 1.00 15.01 H new ATOM 0 HB VAL A 61 5.342 17.224 -10.779 1.00 35.20 H new ATOM 0 HG11 VAL A 61 5.931 18.531 -12.779 1.00 65.24 H new ATOM 0 HG12 VAL A 61 4.433 17.600 -13.015 1.00 65.24 H new ATOM 0 HG13 VAL A 61 4.353 19.350 -12.704 1.00 65.24 H new ATOM 0 HG21 VAL A 61 6.544 19.357 -10.532 1.00 0.31 H new ATOM 0 HG22 VAL A 61 4.991 20.209 -10.365 1.00 0.31 H new ATOM 0 HG23 VAL A 61 5.493 19.026 -9.135 1.00 0.31 H new ATOM 919 N PHE A 62 3.395 18.569 -8.166 1.00 13.13 N ATOM 920 CA PHE A 62 3.380 18.299 -6.733 1.00 33.41 C ATOM 921 C PHE A 62 4.546 17.398 -6.337 1.00 60.22 C ATOM 922 O PHE A 62 5.007 16.576 -7.130 1.00 23.40 O ATOM 923 CB PHE A 62 2.056 17.645 -6.330 1.00 2.14 C ATOM 924 CG PHE A 62 0.873 18.562 -6.452 1.00 1.33 C ATOM 925 CD1 PHE A 62 0.225 18.721 -7.666 1.00 61.42 C ATOM 926 CD2 PHE A 62 0.409 19.266 -5.352 1.00 75.41 C ATOM 927 CE1 PHE A 62 -0.863 19.565 -7.781 1.00 73.44 C ATOM 928 CE2 PHE A 62 -0.680 20.111 -5.461 1.00 62.21 C ATOM 929 CZ PHE A 62 -1.317 20.260 -6.677 1.00 71.53 C ATOM 0 H PHE A 62 3.459 19.558 -8.408 1.00 13.13 H new ATOM 0 HA PHE A 62 3.483 19.249 -6.208 1.00 33.41 H new ATOM 0 HB2 PHE A 62 1.890 16.766 -6.953 1.00 2.14 H new ATOM 0 HB3 PHE A 62 2.131 17.297 -5.300 1.00 2.14 H new ATOM 0 HD1 PHE A 62 0.574 18.179 -8.532 1.00 61.42 H new ATOM 0 HD2 PHE A 62 0.904 19.153 -4.399 1.00 75.41 H new ATOM 0 HE1 PHE A 62 -1.358 19.681 -8.734 1.00 73.44 H new ATOM 0 HE2 PHE A 62 -1.032 20.654 -4.596 1.00 62.21 H new ATOM 0 HZ PHE A 62 -2.168 20.919 -6.765 1.00 71.53 H new ATOM 939 N LEU A 63 5.019 17.559 -5.106 1.00 71.03 N ATOM 940 CA LEU A 63 6.132 16.761 -4.604 1.00 1.32 C ATOM 941 C LEU A 63 6.547 17.223 -3.210 1.00 64.35 C ATOM 942 O LEU A 63 6.389 18.392 -2.859 1.00 21.02 O ATOM 943 CB LEU A 63 7.323 16.852 -5.560 1.00 11.44 C ATOM 944 CG LEU A 63 8.707 16.731 -4.921 1.00 50.31 C ATOM 945 CD1 LEU A 63 9.221 15.304 -5.028 1.00 42.01 C ATOM 946 CD2 LEU A 63 9.682 17.702 -5.573 1.00 34.55 C ATOM 0 H LEU A 63 4.649 18.235 -4.437 1.00 71.03 H new ATOM 0 HA LEU A 63 5.804 15.723 -4.541 1.00 1.32 H new ATOM 0 HB2 LEU A 63 7.222 16.068 -6.311 1.00 11.44 H new ATOM 0 HB3 LEU A 63 7.270 17.805 -6.086 1.00 11.44 H new ATOM 0 HG LEU A 63 8.623 16.987 -3.865 1.00 50.31 H new ATOM 0 HD11 LEU A 63 10.207 15.237 -4.568 1.00 42.01 H new ATOM 0 HD12 LEU A 63 8.535 14.631 -4.515 1.00 42.01 H new ATOM 0 HD13 LEU A 63 9.290 15.020 -6.078 1.00 42.01 H new ATOM 0 HD21 LEU A 63 10.662 17.602 -5.106 1.00 34.55 H new ATOM 0 HD22 LEU A 63 9.762 17.478 -6.637 1.00 34.55 H new ATOM 0 HD23 LEU A 63 9.321 18.722 -5.444 1.00 34.55 H new ATOM 958 N LYS A 64 7.082 16.297 -2.421 1.00 53.12 N ATOM 959 CA LYS A 64 7.524 16.608 -1.067 1.00 51.10 C ATOM 960 C LYS A 64 8.973 16.180 -0.856 1.00 52.41 C ATOM 961 O LYS A 64 9.337 15.034 -1.119 1.00 12.12 O ATOM 962 CB LYS A 64 6.622 15.916 -0.042 1.00 64.34 C ATOM 963 CG LYS A 64 7.389 15.190 1.050 1.00 13.42 C ATOM 964 CD LYS A 64 6.456 14.414 1.964 1.00 32.22 C ATOM 965 CE LYS A 64 5.383 13.680 1.173 1.00 4.41 C ATOM 966 NZ LYS A 64 4.786 12.561 1.953 1.00 3.55 N ATOM 0 H LYS A 64 7.220 15.325 -2.696 1.00 53.12 H new ATOM 0 HA LYS A 64 7.459 17.687 -0.929 1.00 51.10 H new ATOM 0 HB2 LYS A 64 5.970 16.659 0.416 1.00 64.34 H new ATOM 0 HB3 LYS A 64 5.979 15.203 -0.559 1.00 64.34 H new ATOM 0 HG2 LYS A 64 8.109 14.507 0.598 1.00 13.42 H new ATOM 0 HG3 LYS A 64 7.959 15.911 1.637 1.00 13.42 H new ATOM 0 HD2 LYS A 64 7.032 13.697 2.550 1.00 32.22 H new ATOM 0 HD3 LYS A 64 5.985 15.098 2.670 1.00 32.22 H new ATOM 0 HE2 LYS A 64 4.599 14.381 0.887 1.00 4.41 H new ATOM 0 HE3 LYS A 64 5.814 13.290 0.251 1.00 4.41 H new ATOM 0 HZ1 LYS A 64 4.060 12.087 1.379 1.00 3.55 H new ATOM 0 HZ2 LYS A 64 5.529 11.878 2.205 1.00 3.55 H new ATOM 0 HZ3 LYS A 64 4.352 12.936 2.821 1.00 3.55 H new ATOM 980 N VAL A 65 9.796 17.109 -0.379 1.00 33.02 N ATOM 981 CA VAL A 65 11.204 16.827 -0.130 1.00 44.10 C ATOM 982 C VAL A 65 11.578 17.130 1.317 1.00 63.04 C ATOM 983 O VAL A 65 10.823 17.779 2.041 1.00 62.41 O ATOM 984 CB VAL A 65 12.114 17.645 -1.066 1.00 23.11 C ATOM 985 CG1 VAL A 65 11.361 18.050 -2.324 1.00 33.14 C ATOM 986 CG2 VAL A 65 12.659 18.868 -0.344 1.00 20.13 C ATOM 0 H VAL A 65 9.511 18.063 -0.158 1.00 33.02 H new ATOM 0 HA VAL A 65 11.354 15.765 -0.326 1.00 44.10 H new ATOM 0 HB VAL A 65 12.957 17.020 -1.362 1.00 23.11 H new ATOM 0 HG11 VAL A 65 12.020 18.627 -2.973 1.00 33.14 H new ATOM 0 HG12 VAL A 65 11.025 17.157 -2.850 1.00 33.14 H new ATOM 0 HG13 VAL A 65 10.498 18.657 -2.052 1.00 33.14 H new ATOM 0 HG21 VAL A 65 13.300 19.434 -1.020 1.00 20.13 H new ATOM 0 HG22 VAL A 65 11.831 19.497 -0.017 1.00 20.13 H new ATOM 0 HG23 VAL A 65 13.238 18.551 0.523 1.00 20.13 H new ATOM 996 N ASP A 66 12.748 16.657 1.731 1.00 64.32 N ATOM 997 CA ASP A 66 13.224 16.878 3.091 1.00 23.03 C ATOM 998 C ASP A 66 14.412 17.835 3.103 1.00 64.25 C ATOM 999 O ASP A 66 15.444 17.567 2.486 1.00 1.52 O ATOM 1000 CB ASP A 66 13.617 15.549 3.739 1.00 4.54 C ATOM 1001 CG ASP A 66 13.522 15.593 5.252 1.00 63.42 C ATOM 1002 OD1 ASP A 66 12.913 16.546 5.781 1.00 64.24 O ATOM 1003 OD2 ASP A 66 14.058 14.674 5.907 1.00 74.42 O ATOM 0 H ASP A 66 13.384 16.118 1.144 1.00 64.32 H new ATOM 0 HA ASP A 66 12.413 17.327 3.664 1.00 23.03 H new ATOM 0 HB2 ASP A 66 12.970 14.758 3.360 1.00 4.54 H new ATOM 0 HB3 ASP A 66 14.636 15.294 3.449 1.00 4.54 H new ATOM 1008 N VAL A 67 14.260 18.952 3.807 1.00 73.23 N ATOM 1009 CA VAL A 67 15.320 19.949 3.898 1.00 34.23 C ATOM 1010 C VAL A 67 16.339 19.570 4.967 1.00 42.34 C ATOM 1011 O VAL A 67 16.893 20.436 5.645 1.00 63.42 O ATOM 1012 CB VAL A 67 14.751 21.344 4.218 1.00 4.30 C ATOM 1013 CG1 VAL A 67 13.727 21.757 3.172 1.00 63.43 C ATOM 1014 CG2 VAL A 67 14.140 21.364 5.611 1.00 62.11 C ATOM 0 H VAL A 67 13.413 19.189 4.323 1.00 73.23 H new ATOM 0 HA VAL A 67 15.812 19.980 2.926 1.00 34.23 H new ATOM 0 HB VAL A 67 15.569 22.064 4.195 1.00 4.30 H new ATOM 0 HG11 VAL A 67 13.336 22.745 3.415 1.00 63.43 H new ATOM 0 HG12 VAL A 67 14.201 21.786 2.191 1.00 63.43 H new ATOM 0 HG13 VAL A 67 12.909 21.037 3.159 1.00 63.43 H new ATOM 0 HG21 VAL A 67 13.743 22.357 5.820 1.00 62.11 H new ATOM 0 HG22 VAL A 67 13.334 20.632 5.665 1.00 62.11 H new ATOM 0 HG23 VAL A 67 14.905 21.117 6.347 1.00 62.11 H new ATOM 1024 N ASP A 68 16.583 18.272 5.111 1.00 54.43 N ATOM 1025 CA ASP A 68 17.537 17.778 6.096 1.00 45.21 C ATOM 1026 C ASP A 68 18.582 16.882 5.438 1.00 5.51 C ATOM 1027 O ASP A 68 19.655 16.652 5.995 1.00 10.15 O ATOM 1028 CB ASP A 68 16.811 17.009 7.201 1.00 41.24 C ATOM 1029 CG ASP A 68 17.681 16.792 8.423 1.00 1.21 C ATOM 1030 OD1 ASP A 68 17.951 17.777 9.142 1.00 2.20 O ATOM 1031 OD2 ASP A 68 18.091 15.637 8.661 1.00 2.24 O ATOM 0 H ASP A 68 16.133 17.543 4.558 1.00 54.43 H new ATOM 0 HA ASP A 68 18.045 18.636 6.536 1.00 45.21 H new ATOM 0 HB2 ASP A 68 15.913 17.555 7.490 1.00 41.24 H new ATOM 0 HB3 ASP A 68 16.486 16.043 6.814 1.00 41.24 H new ATOM 1036 N GLU A 69 18.261 16.380 4.250 1.00 34.12 N ATOM 1037 CA GLU A 69 19.172 15.508 3.518 1.00 35.32 C ATOM 1038 C GLU A 69 19.593 16.146 2.198 1.00 54.23 C ATOM 1039 O GLU A 69 20.715 15.950 1.730 1.00 2.12 O ATOM 1040 CB GLU A 69 18.513 14.152 3.255 1.00 64.23 C ATOM 1041 CG GLU A 69 17.291 14.233 2.355 1.00 25.22 C ATOM 1042 CD GLU A 69 16.348 13.061 2.546 1.00 61.04 C ATOM 1043 OE1 GLU A 69 16.818 11.905 2.490 1.00 53.42 O ATOM 1044 OE2 GLU A 69 15.140 13.300 2.751 1.00 54.43 O ATOM 0 H GLU A 69 17.377 16.562 3.774 1.00 34.12 H new ATOM 0 HA GLU A 69 20.062 15.359 4.129 1.00 35.32 H new ATOM 0 HB2 GLU A 69 19.245 13.484 2.801 1.00 64.23 H new ATOM 0 HB3 GLU A 69 18.224 13.707 4.207 1.00 64.23 H new ATOM 0 HG2 GLU A 69 16.757 15.161 2.557 1.00 25.22 H new ATOM 0 HG3 GLU A 69 17.613 14.270 1.314 1.00 25.22 H new ATOM 1051 N LEU A 70 18.684 16.910 1.601 1.00 45.31 N ATOM 1052 CA LEU A 70 18.960 17.578 0.334 1.00 41.15 C ATOM 1053 C LEU A 70 18.638 19.066 0.421 1.00 40.41 C ATOM 1054 O LEU A 70 18.362 19.714 -0.589 1.00 73.44 O ATOM 1055 CB LEU A 70 18.148 16.934 -0.792 1.00 4.21 C ATOM 1056 CG LEU A 70 16.687 17.370 -0.899 1.00 74.11 C ATOM 1057 CD1 LEU A 70 16.177 17.185 -2.320 1.00 64.21 C ATOM 1058 CD2 LEU A 70 15.825 16.591 0.084 1.00 54.30 C ATOM 0 H LEU A 70 17.750 17.082 1.974 1.00 45.31 H new ATOM 0 HA LEU A 70 20.022 17.467 0.117 1.00 41.15 H new ATOM 0 HB2 LEU A 70 18.642 17.152 -1.739 1.00 4.21 H new ATOM 0 HB3 LEU A 70 18.175 15.852 -0.660 1.00 4.21 H new ATOM 0 HG LEU A 70 16.625 18.429 -0.647 1.00 74.11 H new ATOM 0 HD11 LEU A 70 15.135 17.501 -2.377 1.00 64.21 H new ATOM 0 HD12 LEU A 70 16.776 17.787 -3.003 1.00 64.21 H new ATOM 0 HD13 LEU A 70 16.254 16.134 -2.600 1.00 64.21 H new ATOM 0 HD21 LEU A 70 14.788 16.914 -0.006 1.00 54.30 H new ATOM 0 HD22 LEU A 70 15.893 15.526 -0.137 1.00 54.30 H new ATOM 0 HD23 LEU A 70 16.175 16.774 1.100 1.00 54.30 H new ATOM 1070 N LYS A 71 18.678 19.605 1.635 1.00 35.31 N ATOM 1071 CA LYS A 71 18.394 21.018 1.856 1.00 74.33 C ATOM 1072 C LYS A 71 18.838 21.855 0.661 1.00 41.12 C ATOM 1073 O LYS A 71 18.204 22.853 0.321 1.00 15.00 O ATOM 1074 CB LYS A 71 19.095 21.508 3.125 1.00 71.14 C ATOM 1075 CG LYS A 71 20.172 20.562 3.628 1.00 13.43 C ATOM 1076 CD LYS A 71 21.401 21.319 4.103 1.00 51.34 C ATOM 1077 CE LYS A 71 22.420 21.484 2.985 1.00 32.23 C ATOM 1078 NZ LYS A 71 23.433 22.526 3.308 1.00 41.32 N ATOM 0 H LYS A 71 18.905 19.084 2.482 1.00 35.31 H new ATOM 0 HA LYS A 71 17.317 21.132 1.977 1.00 74.33 H new ATOM 0 HB2 LYS A 71 19.542 22.483 2.930 1.00 71.14 H new ATOM 0 HB3 LYS A 71 18.352 21.649 3.910 1.00 71.14 H new ATOM 0 HG2 LYS A 71 19.776 19.960 4.446 1.00 13.43 H new ATOM 0 HG3 LYS A 71 20.453 19.873 2.832 1.00 13.43 H new ATOM 0 HD2 LYS A 71 21.105 22.300 4.474 1.00 51.34 H new ATOM 0 HD3 LYS A 71 21.858 20.787 4.938 1.00 51.34 H new ATOM 0 HE2 LYS A 71 22.921 20.533 2.807 1.00 32.23 H new ATOM 0 HE3 LYS A 71 21.906 21.751 2.062 1.00 32.23 H new ATOM 0 HZ1 LYS A 71 24.068 22.656 2.495 1.00 41.32 H new ATOM 0 HZ2 LYS A 71 22.952 23.424 3.519 1.00 41.32 H new ATOM 0 HZ3 LYS A 71 23.987 22.227 4.136 1.00 41.32 H new ATOM 1092 N GLU A 72 19.931 21.441 0.027 1.00 31.31 N ATOM 1093 CA GLU A 72 20.458 22.154 -1.130 1.00 64.54 C ATOM 1094 C GLU A 72 19.326 22.719 -1.984 1.00 24.43 C ATOM 1095 O GLU A 72 19.490 23.737 -2.656 1.00 74.11 O ATOM 1096 CB GLU A 72 21.333 21.224 -1.975 1.00 11.14 C ATOM 1097 CG GLU A 72 20.596 20.002 -2.495 1.00 70.43 C ATOM 1098 CD GLU A 72 21.015 18.725 -1.793 1.00 21.30 C ATOM 1099 OE1 GLU A 72 21.595 18.816 -0.691 1.00 33.12 O ATOM 1100 OE2 GLU A 72 20.763 17.634 -2.346 1.00 73.23 O ATOM 0 H GLU A 72 20.468 20.616 0.295 1.00 31.31 H new ATOM 0 HA GLU A 72 21.065 22.983 -0.767 1.00 64.54 H new ATOM 0 HB2 GLU A 72 21.733 21.784 -2.820 1.00 11.14 H new ATOM 0 HB3 GLU A 72 22.184 20.898 -1.378 1.00 11.14 H new ATOM 0 HG2 GLU A 72 19.523 20.147 -2.367 1.00 70.43 H new ATOM 0 HG3 GLU A 72 20.778 19.901 -3.565 1.00 70.43 H new ATOM 1107 N VAL A 73 18.178 22.050 -1.951 1.00 62.45 N ATOM 1108 CA VAL A 73 17.018 22.484 -2.721 1.00 4.13 C ATOM 1109 C VAL A 73 16.290 23.625 -2.020 1.00 2.44 C ATOM 1110 O VAL A 73 15.916 24.615 -2.648 1.00 11.12 O ATOM 1111 CB VAL A 73 16.031 21.325 -2.951 1.00 21.40 C ATOM 1112 CG1 VAL A 73 14.852 21.786 -3.793 1.00 53.51 C ATOM 1113 CG2 VAL A 73 16.737 20.147 -3.607 1.00 15.20 C ATOM 0 H VAL A 73 18.026 21.206 -1.399 1.00 62.45 H new ATOM 0 HA VAL A 73 17.390 22.831 -3.685 1.00 4.13 H new ATOM 0 HB VAL A 73 15.649 20.998 -1.984 1.00 21.40 H new ATOM 0 HG11 VAL A 73 14.166 20.953 -3.945 1.00 53.51 H new ATOM 0 HG12 VAL A 73 14.333 22.595 -3.280 1.00 53.51 H new ATOM 0 HG13 VAL A 73 15.211 22.141 -4.759 1.00 53.51 H new ATOM 0 HG21 VAL A 73 16.025 19.337 -3.762 1.00 15.20 H new ATOM 0 HG22 VAL A 73 17.148 20.458 -4.567 1.00 15.20 H new ATOM 0 HG23 VAL A 73 17.545 19.802 -2.962 1.00 15.20 H new ATOM 1123 N ALA A 74 16.093 23.480 -0.713 1.00 41.33 N ATOM 1124 CA ALA A 74 15.412 24.500 0.074 1.00 11.24 C ATOM 1125 C ALA A 74 16.263 25.759 0.196 1.00 5.25 C ATOM 1126 O ALA A 74 15.741 26.873 0.212 1.00 11.15 O ATOM 1127 CB ALA A 74 15.066 23.958 1.454 1.00 45.54 C ATOM 0 H ALA A 74 16.396 22.666 -0.178 1.00 41.33 H new ATOM 0 HA ALA A 74 14.489 24.766 -0.442 1.00 11.24 H new ATOM 0 HB1 ALA A 74 14.558 24.730 2.031 1.00 45.54 H new ATOM 0 HB2 ALA A 74 14.412 23.092 1.351 1.00 45.54 H new ATOM 0 HB3 ALA A 74 15.980 23.663 1.969 1.00 45.54 H new ATOM 1133 N GLU A 75 17.577 25.574 0.283 1.00 60.30 N ATOM 1134 CA GLU A 75 18.500 26.696 0.405 1.00 11.03 C ATOM 1135 C GLU A 75 18.433 27.592 -0.828 1.00 11.42 C ATOM 1136 O GLU A 75 18.722 28.787 -0.758 1.00 10.21 O ATOM 1137 CB GLU A 75 19.930 26.190 0.604 1.00 20.33 C ATOM 1138 CG GLU A 75 20.042 25.068 1.623 1.00 5.33 C ATOM 1139 CD GLU A 75 21.226 25.243 2.555 1.00 12.42 C ATOM 1140 OE1 GLU A 75 22.266 25.765 2.103 1.00 41.13 O ATOM 1141 OE2 GLU A 75 21.111 24.858 3.738 1.00 52.42 O ATOM 0 H GLU A 75 18.026 24.658 0.271 1.00 60.30 H new ATOM 0 HA GLU A 75 18.205 27.282 1.275 1.00 11.03 H new ATOM 0 HB2 GLU A 75 20.319 25.841 -0.352 1.00 20.33 H new ATOM 0 HB3 GLU A 75 20.560 27.021 0.921 1.00 20.33 H new ATOM 0 HG2 GLU A 75 19.125 25.023 2.211 1.00 5.33 H new ATOM 0 HG3 GLU A 75 20.133 24.116 1.101 1.00 5.33 H new ATOM 1148 N LYS A 76 18.050 27.007 -1.957 1.00 61.14 N ATOM 1149 CA LYS A 76 17.944 27.750 -3.207 1.00 53.23 C ATOM 1150 C LYS A 76 16.667 28.584 -3.237 1.00 50.33 C ATOM 1151 O LYS A 76 16.642 29.679 -3.801 1.00 21.31 O ATOM 1152 CB LYS A 76 17.967 26.790 -4.399 1.00 14.40 C ATOM 1153 CG LYS A 76 16.585 26.429 -4.915 1.00 73.05 C ATOM 1154 CD LYS A 76 16.598 25.108 -5.666 1.00 72.10 C ATOM 1155 CE LYS A 76 16.396 25.313 -7.160 1.00 1.35 C ATOM 1156 NZ LYS A 76 17.238 26.424 -7.685 1.00 72.43 N ATOM 0 H LYS A 76 17.807 26.019 -2.032 1.00 61.14 H new ATOM 0 HA LYS A 76 18.799 28.423 -3.274 1.00 53.23 H new ATOM 0 HB2 LYS A 76 18.541 27.242 -5.208 1.00 14.40 H new ATOM 0 HB3 LYS A 76 18.488 25.877 -4.110 1.00 14.40 H new ATOM 0 HG2 LYS A 76 15.888 26.367 -4.079 1.00 73.05 H new ATOM 0 HG3 LYS A 76 16.223 27.219 -5.573 1.00 73.05 H new ATOM 0 HD2 LYS A 76 17.546 24.599 -5.493 1.00 72.10 H new ATOM 0 HD3 LYS A 76 15.813 24.460 -5.277 1.00 72.10 H new ATOM 0 HE2 LYS A 76 16.639 24.392 -7.689 1.00 1.35 H new ATOM 0 HE3 LYS A 76 15.346 25.528 -7.359 1.00 1.35 H new ATOM 0 HZ1 LYS A 76 17.412 26.278 -8.700 1.00 72.43 H new ATOM 0 HZ2 LYS A 76 16.745 27.329 -7.545 1.00 72.43 H new ATOM 0 HZ3 LYS A 76 18.146 26.442 -7.177 1.00 72.43 H new ATOM 1170 N TYR A 77 15.610 28.061 -2.626 1.00 53.35 N ATOM 1171 CA TYR A 77 14.329 28.758 -2.584 1.00 64.33 C ATOM 1172 C TYR A 77 14.202 29.588 -1.311 1.00 24.24 C ATOM 1173 O TYR A 77 13.315 30.431 -1.192 1.00 53.10 O ATOM 1174 CB TYR A 77 13.177 27.756 -2.670 1.00 70.43 C ATOM 1175 CG TYR A 77 13.185 26.931 -3.937 1.00 62.43 C ATOM 1176 CD1 TYR A 77 13.618 27.474 -5.141 1.00 1.24 C ATOM 1177 CD2 TYR A 77 12.759 25.608 -3.932 1.00 3.23 C ATOM 1178 CE1 TYR A 77 13.627 26.725 -6.301 1.00 72.40 C ATOM 1179 CE2 TYR A 77 12.766 24.851 -5.087 1.00 31.32 C ATOM 1180 CZ TYR A 77 13.200 25.413 -6.269 1.00 3.31 C ATOM 1181 OH TYR A 77 13.207 24.662 -7.422 1.00 41.41 O ATOM 0 H TYR A 77 15.614 27.157 -2.153 1.00 53.35 H new ATOM 0 HA TYR A 77 14.282 29.431 -3.440 1.00 64.33 H new ATOM 0 HB2 TYR A 77 13.224 27.087 -1.811 1.00 70.43 H new ATOM 0 HB3 TYR A 77 12.232 28.295 -2.603 1.00 70.43 H new ATOM 0 HD1 TYR A 77 13.953 28.500 -5.170 1.00 1.24 H new ATOM 0 HD2 TYR A 77 12.417 25.164 -3.009 1.00 3.23 H new ATOM 0 HE1 TYR A 77 13.966 27.163 -7.228 1.00 72.40 H new ATOM 0 HE2 TYR A 77 12.433 23.824 -5.065 1.00 31.32 H new ATOM 0 HH TYR A 77 12.877 23.760 -7.227 1.00 41.41 H new ATOM 1191 N ASN A 78 15.098 29.342 -0.360 1.00 63.21 N ATOM 1192 CA ASN A 78 15.088 30.066 0.906 1.00 71.21 C ATOM 1193 C ASN A 78 13.826 29.750 1.703 1.00 71.30 C ATOM 1194 O ASN A 78 12.950 30.600 1.862 1.00 31.22 O ATOM 1195 CB ASN A 78 15.183 31.572 0.656 1.00 0.35 C ATOM 1196 CG ASN A 78 15.419 32.356 1.933 1.00 21.02 C ATOM 1197 OD1 ASN A 78 14.681 33.290 2.247 1.00 43.34 O ATOM 1198 ND2 ASN A 78 16.452 31.978 2.677 1.00 64.23 N ATOM 0 H ASN A 78 15.840 28.647 -0.442 1.00 63.21 H new ATOM 0 HA ASN A 78 15.953 29.745 1.487 1.00 71.21 H new ATOM 0 HB2 ASN A 78 15.994 31.771 -0.044 1.00 0.35 H new ATOM 0 HB3 ASN A 78 14.263 31.918 0.185 1.00 0.35 H new ATOM 0 HD21 ASN A 78 16.660 32.468 3.547 1.00 64.23 H new ATOM 0 HD22 ASN A 78 17.037 31.198 2.378 1.00 64.23 H new ATOM 1246 N MET A 82 10.961 24.417 7.012 1.00 44.31 N ATOM 1247 CA MET A 82 9.563 24.178 7.348 1.00 55.43 C ATOM 1248 C MET A 82 8.840 23.477 6.202 1.00 65.23 C ATOM 1249 O MET A 82 9.370 23.331 5.100 1.00 73.42 O ATOM 1250 CB MET A 82 8.862 25.498 7.675 1.00 11.33 C ATOM 1251 CG MET A 82 9.820 26.661 7.879 1.00 70.30 C ATOM 1252 SD MET A 82 9.644 27.935 6.616 1.00 51.41 S ATOM 1253 CE MET A 82 9.782 26.955 5.124 1.00 75.34 C ATOM 0 HA MET A 82 9.532 23.531 8.224 1.00 55.43 H new ATOM 0 HB2 MET A 82 8.172 25.743 6.867 1.00 11.33 H new ATOM 0 HB3 MET A 82 8.264 25.368 8.577 1.00 11.33 H new ATOM 0 HG2 MET A 82 9.647 27.102 8.861 1.00 70.30 H new ATOM 0 HG3 MET A 82 10.844 26.288 7.873 1.00 70.30 H new ATOM 0 HE1 MET A 82 9.907 27.615 4.265 1.00 75.34 H new ATOM 0 HE2 MET A 82 10.645 26.293 5.202 1.00 75.34 H new ATOM 0 HE3 MET A 82 8.878 26.359 4.995 1.00 75.34 H new ATOM 1263 N PRO A 83 7.603 23.031 6.465 1.00 10.50 N ATOM 1264 CA PRO A 83 6.782 22.338 5.468 1.00 43.02 C ATOM 1265 C PRO A 83 6.316 23.268 4.353 1.00 62.23 C ATOM 1266 O PRO A 83 5.328 22.991 3.671 1.00 4.41 O ATOM 1267 CB PRO A 83 5.586 21.836 6.280 1.00 21.31 C ATOM 1268 CG PRO A 83 5.496 22.768 7.438 1.00 10.51 C ATOM 1269 CD PRO A 83 6.909 23.171 7.756 1.00 4.15 C ATOM 0 HA PRO A 83 7.335 21.545 4.964 1.00 43.02 H new ATOM 0 HB2 PRO A 83 4.671 21.851 5.688 1.00 21.31 H new ATOM 0 HB3 PRO A 83 5.735 20.808 6.610 1.00 21.31 H new ATOM 0 HG2 PRO A 83 4.888 23.639 7.192 1.00 10.51 H new ATOM 0 HG3 PRO A 83 5.027 22.283 8.294 1.00 10.51 H new ATOM 0 HD2 PRO A 83 6.960 24.193 8.131 1.00 4.15 H new ATOM 0 HD3 PRO A 83 7.348 22.529 8.520 1.00 4.15 H new ATOM 1277 N THR A 84 7.034 24.372 4.171 1.00 54.34 N ATOM 1278 CA THR A 84 6.693 25.343 3.139 1.00 40.44 C ATOM 1279 C THR A 84 6.363 24.652 1.821 1.00 50.14 C ATOM 1280 O THR A 84 7.130 23.821 1.335 1.00 64.03 O ATOM 1281 CB THR A 84 7.842 26.343 2.907 1.00 14.31 C ATOM 1282 OG1 THR A 84 7.643 27.512 3.710 1.00 53.31 O ATOM 1283 CG2 THR A 84 7.928 26.738 1.440 1.00 23.25 C ATOM 0 H THR A 84 7.855 24.616 4.725 1.00 54.34 H new ATOM 0 HA THR A 84 5.815 25.884 3.492 1.00 40.44 H new ATOM 0 HB THR A 84 8.777 25.861 3.192 1.00 14.31 H new ATOM 0 HG1 THR A 84 7.889 28.309 3.195 1.00 53.31 H new ATOM 0 HG21 THR A 84 8.746 27.444 1.301 1.00 23.25 H new ATOM 0 HG22 THR A 84 8.108 25.850 0.834 1.00 23.25 H new ATOM 0 HG23 THR A 84 6.991 27.203 1.133 1.00 23.25 H new ATOM 1291 N PHE A 85 5.217 25.001 1.246 1.00 72.03 N ATOM 1292 CA PHE A 85 4.785 24.413 -0.017 1.00 50.31 C ATOM 1293 C PHE A 85 5.371 25.177 -1.201 1.00 63.20 C ATOM 1294 O PHE A 85 4.704 25.378 -2.217 1.00 10.34 O ATOM 1295 CB PHE A 85 3.257 24.408 -0.105 1.00 65.45 C ATOM 1296 CG PHE A 85 2.656 23.035 0.001 1.00 50.40 C ATOM 1297 CD1 PHE A 85 2.884 22.086 -0.982 1.00 45.21 C ATOM 1298 CD2 PHE A 85 1.862 22.695 1.084 1.00 75.00 C ATOM 1299 CE1 PHE A 85 2.333 20.822 -0.887 1.00 52.41 C ATOM 1300 CE2 PHE A 85 1.308 21.433 1.185 1.00 74.24 C ATOM 1301 CZ PHE A 85 1.542 20.496 0.197 1.00 24.24 C ATOM 0 H PHE A 85 4.571 25.688 1.634 1.00 72.03 H new ATOM 0 HA PHE A 85 5.148 23.386 -0.054 1.00 50.31 H new ATOM 0 HB2 PHE A 85 2.853 25.035 0.690 1.00 65.45 H new ATOM 0 HB3 PHE A 85 2.954 24.857 -1.051 1.00 65.45 H new ATOM 0 HD1 PHE A 85 3.500 22.337 -1.833 1.00 45.21 H new ATOM 0 HD2 PHE A 85 1.674 23.424 1.858 1.00 75.00 H new ATOM 0 HE1 PHE A 85 2.521 20.091 -1.659 1.00 52.41 H new ATOM 0 HE2 PHE A 85 0.693 21.179 2.036 1.00 74.24 H new ATOM 0 HZ PHE A 85 1.107 19.510 0.272 1.00 24.24 H new ATOM 1311 N LEU A 86 6.623 25.600 -1.063 1.00 31.12 N ATOM 1312 CA LEU A 86 7.301 26.342 -2.120 1.00 53.21 C ATOM 1313 C LEU A 86 6.789 25.923 -3.494 1.00 72.43 C ATOM 1314 O LEU A 86 6.489 24.751 -3.726 1.00 3.03 O ATOM 1315 CB LEU A 86 8.812 26.121 -2.037 1.00 1.30 C ATOM 1316 CG LEU A 86 9.686 27.344 -2.318 1.00 14.52 C ATOM 1317 CD1 LEU A 86 9.079 28.191 -3.426 1.00 70.54 C ATOM 1318 CD2 LEU A 86 9.869 28.171 -1.053 1.00 74.21 C ATOM 0 H LEU A 86 7.189 25.442 -0.229 1.00 31.12 H new ATOM 0 HA LEU A 86 7.087 27.402 -1.981 1.00 53.21 H new ATOM 0 HB2 LEU A 86 9.051 25.750 -1.040 1.00 1.30 H new ATOM 0 HB3 LEU A 86 9.083 25.336 -2.742 1.00 1.30 H new ATOM 0 HG LEU A 86 10.666 26.998 -2.648 1.00 14.52 H new ATOM 0 HD11 LEU A 86 9.715 29.057 -3.612 1.00 70.54 H new ATOM 0 HD12 LEU A 86 9.000 27.597 -4.336 1.00 70.54 H new ATOM 0 HD13 LEU A 86 8.087 28.527 -3.125 1.00 70.54 H new ATOM 0 HD21 LEU A 86 10.494 29.037 -1.272 1.00 74.21 H new ATOM 0 HD22 LEU A 86 8.896 28.507 -0.694 1.00 74.21 H new ATOM 0 HD23 LEU A 86 10.349 27.562 -0.287 1.00 74.21 H new ATOM 1330 N PHE A 87 6.693 26.887 -4.404 1.00 33.41 N ATOM 1331 CA PHE A 87 6.218 26.617 -5.756 1.00 43.22 C ATOM 1332 C PHE A 87 7.276 26.996 -6.789 1.00 54.21 C ATOM 1333 O PHE A 87 8.154 27.817 -6.521 1.00 61.52 O ATOM 1334 CB PHE A 87 4.924 27.387 -6.028 1.00 63.04 C ATOM 1335 CG PHE A 87 3.745 26.870 -5.255 1.00 22.30 C ATOM 1336 CD1 PHE A 87 3.705 26.977 -3.874 1.00 54.11 C ATOM 1337 CD2 PHE A 87 2.677 26.277 -5.909 1.00 22.23 C ATOM 1338 CE1 PHE A 87 2.621 26.501 -3.160 1.00 42.21 C ATOM 1339 CE2 PHE A 87 1.591 25.799 -5.200 1.00 13.40 C ATOM 1340 CZ PHE A 87 1.562 25.913 -3.824 1.00 24.21 C ATOM 0 H PHE A 87 6.938 27.862 -4.230 1.00 33.41 H new ATOM 0 HA PHE A 87 6.020 25.548 -5.839 1.00 43.22 H new ATOM 0 HB2 PHE A 87 5.077 28.438 -5.782 1.00 63.04 H new ATOM 0 HB3 PHE A 87 4.699 27.339 -7.093 1.00 63.04 H new ATOM 0 HD1 PHE A 87 4.530 27.437 -3.350 1.00 54.11 H new ATOM 0 HD2 PHE A 87 2.693 26.187 -6.985 1.00 22.23 H new ATOM 0 HE1 PHE A 87 2.602 26.589 -2.084 1.00 42.21 H new ATOM 0 HE2 PHE A 87 0.766 25.337 -5.722 1.00 13.40 H new ATOM 0 HZ PHE A 87 0.713 25.543 -3.268 1.00 24.21 H new ATOM 1350 N ILE A 88 7.184 26.393 -7.969 1.00 61.23 N ATOM 1351 CA ILE A 88 8.132 26.667 -9.042 1.00 73.14 C ATOM 1352 C ILE A 88 7.435 26.689 -10.399 1.00 21.13 C ATOM 1353 O ILE A 88 7.557 25.752 -11.188 1.00 24.45 O ATOM 1354 CB ILE A 88 9.262 25.622 -9.076 1.00 25.24 C ATOM 1355 CG1 ILE A 88 9.792 25.367 -7.663 1.00 65.21 C ATOM 1356 CG2 ILE A 88 10.385 26.085 -9.993 1.00 34.52 C ATOM 1357 CD1 ILE A 88 10.723 26.449 -7.162 1.00 53.42 C ATOM 0 H ILE A 88 6.463 25.712 -8.206 1.00 61.23 H new ATOM 0 HA ILE A 88 8.562 27.648 -8.840 1.00 73.14 H new ATOM 0 HB ILE A 88 8.861 24.687 -9.468 1.00 25.24 H new ATOM 0 HG12 ILE A 88 8.949 25.279 -6.978 1.00 65.21 H new ATOM 0 HG13 ILE A 88 10.317 24.412 -7.647 1.00 65.21 H new ATOM 0 HG21 ILE A 88 11.176 25.335 -10.006 1.00 34.52 H new ATOM 0 HG22 ILE A 88 9.997 26.221 -11.003 1.00 34.52 H new ATOM 0 HG23 ILE A 88 10.787 27.030 -9.628 1.00 34.52 H new ATOM 0 HD11 ILE A 88 11.059 26.202 -6.155 1.00 53.42 H new ATOM 0 HD12 ILE A 88 11.585 26.523 -7.825 1.00 53.42 H new ATOM 0 HD13 ILE A 88 10.196 27.403 -7.145 1.00 53.42 H new ATOM 1369 N LYS A 89 6.705 27.766 -10.665 1.00 14.40 N ATOM 1370 CA LYS A 89 5.990 27.914 -11.927 1.00 51.13 C ATOM 1371 C LYS A 89 6.944 28.308 -13.050 1.00 43.00 C ATOM 1372 O LYS A 89 7.623 29.332 -12.970 1.00 23.23 O ATOM 1373 CB LYS A 89 4.885 28.964 -11.791 1.00 75.44 C ATOM 1374 CG LYS A 89 4.466 29.581 -13.115 1.00 4.45 C ATOM 1375 CD LYS A 89 2.957 29.726 -13.210 1.00 72.22 C ATOM 1376 CE LYS A 89 2.369 30.294 -11.928 1.00 32.24 C ATOM 1377 NZ LYS A 89 1.215 31.196 -12.198 1.00 60.51 N ATOM 0 H LYS A 89 6.593 28.550 -10.023 1.00 14.40 H new ATOM 0 HA LYS A 89 5.541 26.953 -12.176 1.00 51.13 H new ATOM 0 HB2 LYS A 89 4.015 28.505 -11.322 1.00 75.44 H new ATOM 0 HB3 LYS A 89 5.227 29.755 -11.123 1.00 75.44 H new ATOM 0 HG2 LYS A 89 4.934 30.559 -13.226 1.00 4.45 H new ATOM 0 HG3 LYS A 89 4.825 28.961 -13.936 1.00 4.45 H new ATOM 0 HD2 LYS A 89 2.705 30.378 -14.047 1.00 72.22 H new ATOM 0 HD3 LYS A 89 2.510 28.754 -13.417 1.00 72.22 H new ATOM 0 HE2 LYS A 89 2.047 29.476 -11.283 1.00 32.24 H new ATOM 0 HE3 LYS A 89 3.140 30.843 -11.387 1.00 32.24 H new ATOM 0 HZ1 LYS A 89 0.843 31.562 -11.299 1.00 60.51 H new ATOM 0 HZ2 LYS A 89 1.527 31.990 -12.793 1.00 60.51 H new ATOM 0 HZ3 LYS A 89 0.468 30.666 -12.692 1.00 60.51 H new ATOM 1391 N ASP A 90 6.990 27.490 -14.096 1.00 13.21 N ATOM 1392 CA ASP A 90 7.859 27.755 -15.236 1.00 61.14 C ATOM 1393 C ASP A 90 9.273 27.249 -14.971 1.00 24.34 C ATOM 1394 O ASP A 90 10.092 27.156 -15.884 1.00 4.11 O ATOM 1395 CB ASP A 90 7.890 29.253 -15.545 1.00 33.33 C ATOM 1396 CG ASP A 90 8.144 29.537 -17.012 1.00 72.31 C ATOM 1397 OD1 ASP A 90 7.262 29.222 -17.839 1.00 63.40 O ATOM 1398 OD2 ASP A 90 9.224 30.075 -17.333 1.00 74.25 O ATOM 0 H ASP A 90 6.435 26.638 -14.178 1.00 13.21 H new ATOM 0 HA ASP A 90 7.457 27.223 -16.098 1.00 61.14 H new ATOM 0 HB2 ASP A 90 6.941 29.701 -15.250 1.00 33.33 H new ATOM 0 HB3 ASP A 90 8.667 29.728 -14.946 1.00 33.33 H new ATOM 1403 N GLY A 91 9.553 26.923 -13.712 1.00 45.12 N ATOM 1404 CA GLY A 91 10.870 26.432 -13.348 1.00 74.34 C ATOM 1405 C GLY A 91 11.709 27.484 -12.651 1.00 61.22 C ATOM 1406 O GLY A 91 12.897 27.631 -12.939 1.00 34.43 O ATOM 0 H GLY A 91 8.892 26.990 -12.938 1.00 45.12 H new ATOM 0 HA2 GLY A 91 10.764 25.566 -12.695 1.00 74.34 H new ATOM 0 HA3 GLY A 91 11.389 26.094 -14.245 1.00 74.34 H new ATOM 1410 N ALA A 92 11.091 28.219 -11.733 1.00 54.21 N ATOM 1411 CA ALA A 92 11.789 29.263 -10.993 1.00 32.10 C ATOM 1412 C ALA A 92 11.265 29.367 -9.565 1.00 23.25 C ATOM 1413 O ALA A 92 11.785 28.721 -8.655 1.00 45.32 O ATOM 1414 CB ALA A 92 11.650 30.599 -11.707 1.00 15.33 C ATOM 0 H ALA A 92 10.108 28.111 -11.484 1.00 54.21 H new ATOM 0 HA ALA A 92 12.845 28.997 -10.946 1.00 32.10 H new ATOM 0 HB1 ALA A 92 12.176 31.369 -11.143 1.00 15.33 H new ATOM 0 HB2 ALA A 92 12.079 30.524 -12.706 1.00 15.33 H new ATOM 0 HB3 ALA A 92 10.595 30.862 -11.784 1.00 15.33 H new ATOM 1420 N GLU A 93 10.234 30.184 -9.375 1.00 72.20 N ATOM 1421 CA GLU A 93 9.642 30.372 -8.056 1.00 11.42 C ATOM 1422 C GLU A 93 8.396 31.249 -8.139 1.00 12.31 C ATOM 1423 O GLU A 93 8.490 32.466 -8.296 1.00 13.23 O ATOM 1424 CB GLU A 93 10.659 31.002 -7.101 1.00 71.43 C ATOM 1425 CG GLU A 93 10.365 30.733 -5.635 1.00 71.30 C ATOM 1426 CD GLU A 93 11.600 30.843 -4.763 1.00 21.15 C ATOM 1427 OE1 GLU A 93 12.644 31.306 -5.267 1.00 42.10 O ATOM 1428 OE2 GLU A 93 11.522 30.466 -3.574 1.00 60.14 O ATOM 0 H GLU A 93 9.792 30.726 -10.117 1.00 72.20 H new ATOM 0 HA GLU A 93 9.352 29.393 -7.673 1.00 11.42 H new ATOM 0 HB2 GLU A 93 11.652 30.622 -7.339 1.00 71.43 H new ATOM 0 HB3 GLU A 93 10.682 32.079 -7.267 1.00 71.43 H new ATOM 0 HG2 GLU A 93 9.613 31.439 -5.284 1.00 71.30 H new ATOM 0 HG3 GLU A 93 9.939 29.735 -5.531 1.00 71.30 H new ATOM 1435 N ALA A 94 7.229 30.621 -8.033 1.00 44.22 N ATOM 1436 CA ALA A 94 5.965 31.343 -8.095 1.00 13.22 C ATOM 1437 C ALA A 94 5.559 31.859 -6.718 1.00 45.22 C ATOM 1438 O ALA A 94 4.951 32.923 -6.598 1.00 30.42 O ATOM 1439 CB ALA A 94 4.874 30.450 -8.668 1.00 24.13 C ATOM 0 H ALA A 94 7.134 29.614 -7.904 1.00 44.22 H new ATOM 0 HA ALA A 94 6.098 32.203 -8.752 1.00 13.22 H new ATOM 0 HB1 ALA A 94 3.935 31.003 -8.708 1.00 24.13 H new ATOM 0 HB2 ALA A 94 5.153 30.134 -9.673 1.00 24.13 H new ATOM 0 HB3 ALA A 94 4.751 29.572 -8.033 1.00 24.13 H new ATOM 1445 N ASP A 95 5.900 31.099 -5.683 1.00 51.31 N ATOM 1446 CA ASP A 95 5.572 31.480 -4.314 1.00 54.33 C ATOM 1447 C ASP A 95 5.568 30.261 -3.397 1.00 3.41 C ATOM 1448 O ASP A 95 5.820 29.139 -3.836 1.00 53.15 O ATOM 1449 CB ASP A 95 4.209 32.173 -4.268 1.00 33.32 C ATOM 1450 CG ASP A 95 4.328 33.683 -4.203 1.00 63.31 C ATOM 1451 OD1 ASP A 95 5.141 34.180 -3.395 1.00 34.31 O ATOM 1452 OD2 ASP A 95 3.610 34.367 -4.961 1.00 44.32 O ATOM 0 H ASP A 95 6.403 30.216 -5.766 1.00 51.31 H new ATOM 0 HA ASP A 95 6.336 32.174 -3.963 1.00 54.33 H new ATOM 0 HB2 ASP A 95 3.633 31.895 -5.151 1.00 33.32 H new ATOM 0 HB3 ASP A 95 3.653 31.818 -3.400 1.00 33.32 H new ATOM 1457 N LYS A 96 5.283 30.490 -2.119 1.00 72.55 N ATOM 1458 CA LYS A 96 5.246 29.411 -1.139 1.00 3.22 C ATOM 1459 C LYS A 96 3.996 29.508 -0.270 1.00 3.01 C ATOM 1460 O LYS A 96 3.257 30.490 -0.336 1.00 75.22 O ATOM 1461 CB LYS A 96 6.497 29.453 -0.258 1.00 20.51 C ATOM 1462 CG LYS A 96 6.641 30.741 0.534 1.00 31.51 C ATOM 1463 CD LYS A 96 7.722 31.635 -0.048 1.00 41.41 C ATOM 1464 CE LYS A 96 9.082 31.338 0.565 1.00 12.25 C ATOM 1465 NZ LYS A 96 10.079 32.396 0.243 1.00 11.23 N ATOM 0 H LYS A 96 5.074 31.413 -1.738 1.00 72.55 H new ATOM 0 HA LYS A 96 5.220 28.464 -1.678 1.00 3.22 H new ATOM 0 HB2 LYS A 96 6.472 28.612 0.434 1.00 20.51 H new ATOM 0 HB3 LYS A 96 7.378 29.322 -0.886 1.00 20.51 H new ATOM 0 HG2 LYS A 96 5.690 31.274 0.539 1.00 31.51 H new ATOM 0 HG3 LYS A 96 6.881 30.507 1.571 1.00 31.51 H new ATOM 0 HD2 LYS A 96 7.770 31.494 -1.128 1.00 41.41 H new ATOM 0 HD3 LYS A 96 7.464 32.680 0.126 1.00 41.41 H new ATOM 0 HE2 LYS A 96 8.981 31.251 1.647 1.00 12.25 H new ATOM 0 HE3 LYS A 96 9.443 30.376 0.200 1.00 12.25 H new ATOM 0 HZ1 LYS A 96 10.992 32.157 0.679 1.00 11.23 H new ATOM 0 HZ2 LYS A 96 10.194 32.462 -0.788 1.00 11.23 H new ATOM 0 HZ3 LYS A 96 9.748 33.310 0.613 1.00 11.23 H new ATOM 1479 N VAL A 97 3.767 28.484 0.546 1.00 62.22 N ATOM 1480 CA VAL A 97 2.608 28.455 1.430 1.00 62.00 C ATOM 1481 C VAL A 97 2.956 27.820 2.771 1.00 20.35 C ATOM 1482 O VAL A 97 3.469 28.485 3.671 1.00 11.14 O ATOM 1483 CB VAL A 97 1.438 27.680 0.796 1.00 54.52 C ATOM 1484 CG1 VAL A 97 0.373 27.375 1.838 1.00 75.22 C ATOM 1485 CG2 VAL A 97 0.848 28.465 -0.367 1.00 22.31 C ATOM 0 H VAL A 97 4.369 27.663 0.613 1.00 62.22 H new ATOM 0 HA VAL A 97 2.305 29.490 1.589 1.00 62.00 H new ATOM 0 HB VAL A 97 1.817 26.733 0.411 1.00 54.52 H new ATOM 0 HG11 VAL A 97 -0.446 26.827 1.372 1.00 75.22 H new ATOM 0 HG12 VAL A 97 0.806 26.771 2.635 1.00 75.22 H new ATOM 0 HG13 VAL A 97 -0.006 28.308 2.255 1.00 75.22 H new ATOM 0 HG21 VAL A 97 0.022 27.903 -0.804 1.00 22.31 H new ATOM 0 HG22 VAL A 97 0.482 29.427 -0.008 1.00 22.31 H new ATOM 0 HG23 VAL A 97 1.616 28.628 -1.123 1.00 22.31 H new ATOM 1495 N VAL A 98 2.674 26.527 2.899 1.00 70.12 N ATOM 1496 CA VAL A 98 2.958 25.800 4.130 1.00 4.13 C ATOM 1497 C VAL A 98 2.170 24.497 4.194 1.00 73.01 C ATOM 1498 O VAL A 98 0.963 24.477 3.956 1.00 12.33 O ATOM 1499 CB VAL A 98 2.627 26.649 5.372 1.00 24.22 C ATOM 1500 CG1 VAL A 98 1.962 25.795 6.441 1.00 63.00 C ATOM 1501 CG2 VAL A 98 3.884 27.312 5.914 1.00 5.30 C ATOM 0 H VAL A 98 2.249 25.962 2.164 1.00 70.12 H new ATOM 0 HA VAL A 98 4.025 25.576 4.126 1.00 4.13 H new ATOM 0 HB VAL A 98 1.928 27.432 5.079 1.00 24.22 H new ATOM 0 HG11 VAL A 98 1.736 26.412 7.311 1.00 63.00 H new ATOM 0 HG12 VAL A 98 1.038 25.372 6.046 1.00 63.00 H new ATOM 0 HG13 VAL A 98 2.635 24.989 6.733 1.00 63.00 H new ATOM 0 HG21 VAL A 98 3.632 27.908 6.791 1.00 5.30 H new ATOM 0 HG22 VAL A 98 4.608 26.546 6.191 1.00 5.30 H new ATOM 0 HG23 VAL A 98 4.314 27.958 5.148 1.00 5.30 H new ATOM 1511 N GLY A 99 2.861 23.408 4.517 1.00 1.12 N ATOM 1512 CA GLY A 99 2.209 22.115 4.607 1.00 71.21 C ATOM 1513 C GLY A 99 1.492 21.917 5.928 1.00 42.22 C ATOM 1514 O GLY A 99 1.583 20.852 6.538 1.00 40.33 O ATOM 0 H GLY A 99 3.861 23.398 4.718 1.00 1.12 H new ATOM 0 HA2 GLY A 99 1.494 22.015 3.791 1.00 71.21 H new ATOM 0 HA3 GLY A 99 2.952 21.328 4.479 1.00 71.21 H new ATOM 1518 N ALA A 100 0.779 22.947 6.372 1.00 74.22 N ATOM 1519 CA ALA A 100 0.043 22.881 7.629 1.00 44.23 C ATOM 1520 C ALA A 100 -1.193 23.773 7.588 1.00 33.54 C ATOM 1521 O ALA A 100 -1.800 24.056 8.622 1.00 63.23 O ATOM 1522 CB ALA A 100 0.945 23.278 8.789 1.00 74.14 C ATOM 0 H ALA A 100 0.695 23.837 5.880 1.00 74.22 H new ATOM 0 HA ALA A 100 -0.288 21.853 7.775 1.00 44.23 H new ATOM 0 HB1 ALA A 100 0.383 23.225 9.722 1.00 74.14 H new ATOM 0 HB2 ALA A 100 1.795 22.598 8.838 1.00 74.14 H new ATOM 0 HB3 ALA A 100 1.303 24.296 8.639 1.00 74.14 H new ATOM 1528 N ARG A 101 -1.561 24.212 6.389 1.00 14.05 N ATOM 1529 CA ARG A 101 -2.725 25.073 6.215 1.00 0.15 C ATOM 1530 C ARG A 101 -3.704 24.468 5.213 1.00 1.34 C ATOM 1531 O ARG A 101 -3.398 24.345 4.027 1.00 54.40 O ATOM 1532 CB ARG A 101 -2.292 26.463 5.746 1.00 2.11 C ATOM 1533 CG ARG A 101 -2.095 27.455 6.881 1.00 41.22 C ATOM 1534 CD ARG A 101 -0.872 27.111 7.716 1.00 21.41 C ATOM 1535 NE ARG A 101 -0.695 28.034 8.834 1.00 64.23 N ATOM 1536 CZ ARG A 101 -0.271 29.285 8.693 1.00 14.13 C ATOM 1537 NH1 ARG A 101 0.016 29.760 7.489 1.00 0.03 N ATOM 1538 NH2 ARG A 101 -0.135 30.064 9.759 1.00 53.33 N ATOM 0 H ARG A 101 -1.070 23.986 5.524 1.00 14.05 H new ATOM 0 HA ARG A 101 -3.227 25.162 7.178 1.00 0.15 H new ATOM 0 HB2 ARG A 101 -1.361 26.375 5.186 1.00 2.11 H new ATOM 0 HB3 ARG A 101 -3.041 26.855 5.058 1.00 2.11 H new ATOM 0 HG2 ARG A 101 -1.987 28.460 6.473 1.00 41.22 H new ATOM 0 HG3 ARG A 101 -2.980 27.463 7.517 1.00 41.22 H new ATOM 0 HD2 ARG A 101 -0.968 26.094 8.097 1.00 21.41 H new ATOM 0 HD3 ARG A 101 0.016 27.132 7.084 1.00 21.41 H new ATOM 0 HE ARG A 101 -0.908 27.700 9.774 1.00 64.23 H new ATOM 0 HH11 ARG A 101 -0.089 29.164 6.668 1.00 0.03 H new ATOM 0 HH12 ARG A 101 0.341 30.721 7.384 1.00 0.03 H new ATOM 0 HH21 ARG A 101 -0.356 29.702 10.687 1.00 53.33 H new ATOM 0 HH22 ARG A 101 0.191 31.025 9.651 1.00 53.33 H new ATOM 1552 N LYS A 102 -4.882 24.091 5.699 1.00 40.43 N ATOM 1553 CA LYS A 102 -5.907 23.500 4.847 1.00 31.10 C ATOM 1554 C LYS A 102 -6.797 24.578 4.238 1.00 53.50 C ATOM 1555 O LYS A 102 -7.847 24.281 3.668 1.00 13.10 O ATOM 1556 CB LYS A 102 -6.759 22.514 5.649 1.00 20.42 C ATOM 1557 CG LYS A 102 -7.263 21.339 4.829 1.00 34.33 C ATOM 1558 CD LYS A 102 -8.519 21.699 4.053 1.00 30.40 C ATOM 1559 CE LYS A 102 -9.504 20.540 4.019 1.00 14.40 C ATOM 1560 NZ LYS A 102 -10.627 20.739 4.977 1.00 22.25 N ATOM 0 H LYS A 102 -5.150 24.184 6.679 1.00 40.43 H new ATOM 0 HA LYS A 102 -5.408 22.966 4.038 1.00 31.10 H new ATOM 0 HB2 LYS A 102 -6.172 22.137 6.486 1.00 20.42 H new ATOM 0 HB3 LYS A 102 -7.613 23.044 6.071 1.00 20.42 H new ATOM 0 HG2 LYS A 102 -6.486 21.018 4.136 1.00 34.33 H new ATOM 0 HG3 LYS A 102 -7.471 20.496 5.488 1.00 34.33 H new ATOM 0 HD2 LYS A 102 -8.993 22.568 4.509 1.00 30.40 H new ATOM 0 HD3 LYS A 102 -8.251 21.980 3.035 1.00 30.40 H new ATOM 0 HE2 LYS A 102 -9.902 20.431 3.010 1.00 14.40 H new ATOM 0 HE3 LYS A 102 -8.983 19.613 4.258 1.00 14.40 H new ATOM 0 HZ1 LYS A 102 -11.276 19.928 4.924 1.00 22.25 H new ATOM 0 HZ2 LYS A 102 -10.250 20.818 5.943 1.00 22.25 H new ATOM 0 HZ3 LYS A 102 -11.140 21.610 4.734 1.00 22.25 H new ATOM 1574 N ASP A 103 -6.370 25.830 4.361 1.00 14.40 N ATOM 1575 CA ASP A 103 -7.128 26.953 3.820 1.00 2.11 C ATOM 1576 C ASP A 103 -6.222 27.885 3.020 1.00 32.54 C ATOM 1577 O ASP A 103 -6.687 28.852 2.418 1.00 12.52 O ATOM 1578 CB ASP A 103 -7.808 27.728 4.950 1.00 42.55 C ATOM 1579 CG ASP A 103 -6.953 28.870 5.464 1.00 14.22 C ATOM 1580 OD1 ASP A 103 -5.712 28.735 5.450 1.00 52.24 O ATOM 1581 OD2 ASP A 103 -7.526 29.898 5.883 1.00 40.45 O ATOM 0 H ASP A 103 -5.503 26.093 4.830 1.00 14.40 H new ATOM 0 HA ASP A 103 -7.892 26.556 3.151 1.00 2.11 H new ATOM 0 HB2 ASP A 103 -8.760 28.122 4.595 1.00 42.55 H new ATOM 0 HB3 ASP A 103 -8.031 27.047 5.771 1.00 42.55 H new ATOM 1586 N ASP A 104 -4.928 27.586 3.020 1.00 42.01 N ATOM 1587 CA ASP A 104 -3.956 28.396 2.294 1.00 15.53 C ATOM 1588 C ASP A 104 -3.364 27.617 1.124 1.00 15.12 C ATOM 1589 O ASP A 104 -3.070 28.185 0.072 1.00 42.24 O ATOM 1590 CB ASP A 104 -2.841 28.856 3.234 1.00 45.12 C ATOM 1591 CG ASP A 104 -2.259 30.197 2.830 1.00 34.11 C ATOM 1592 OD1 ASP A 104 -2.903 31.230 3.109 1.00 62.03 O ATOM 1593 OD2 ASP A 104 -1.161 30.213 2.235 1.00 55.03 O ATOM 0 H ASP A 104 -4.527 26.789 3.514 1.00 42.01 H new ATOM 0 HA ASP A 104 -4.472 29.271 1.899 1.00 15.53 H new ATOM 0 HB2 ASP A 104 -3.231 28.924 4.250 1.00 45.12 H new ATOM 0 HB3 ASP A 104 -2.048 28.108 3.246 1.00 45.12 H new ATOM 1598 N LEU A 105 -3.192 26.314 1.315 1.00 23.10 N ATOM 1599 CA LEU A 105 -2.634 25.456 0.276 1.00 64.23 C ATOM 1600 C LEU A 105 -3.511 25.470 -0.972 1.00 11.32 C ATOM 1601 O LEU A 105 -3.131 26.025 -2.003 1.00 21.24 O ATOM 1602 CB LEU A 105 -2.487 24.024 0.793 1.00 21.14 C ATOM 1603 CG LEU A 105 -2.315 22.940 -0.271 1.00 75.41 C ATOM 1604 CD1 LEU A 105 -0.910 22.977 -0.850 1.00 3.41 C ATOM 1605 CD2 LEU A 105 -2.617 21.567 0.312 1.00 33.14 C ATOM 0 H LEU A 105 -3.431 25.828 2.180 1.00 23.10 H new ATOM 0 HA LEU A 105 -1.650 25.843 0.011 1.00 64.23 H new ATOM 0 HB2 LEU A 105 -1.628 23.987 1.462 1.00 21.14 H new ATOM 0 HB3 LEU A 105 -3.367 23.783 1.390 1.00 21.14 H new ATOM 0 HG LEU A 105 -3.023 23.135 -1.077 1.00 75.41 H new ATOM 0 HD11 LEU A 105 -0.807 22.198 -1.605 1.00 3.41 H new ATOM 0 HD12 LEU A 105 -0.730 23.951 -1.306 1.00 3.41 H new ATOM 0 HD13 LEU A 105 -0.184 22.809 -0.054 1.00 3.41 H new ATOM 0 HD21 LEU A 105 -2.489 20.808 -0.460 1.00 33.14 H new ATOM 0 HD22 LEU A 105 -1.934 21.364 1.137 1.00 33.14 H new ATOM 0 HD23 LEU A 105 -3.644 21.544 0.677 1.00 33.14 H new ATOM 1617 N GLN A 106 -4.687 24.859 -0.869 1.00 62.02 N ATOM 1618 CA GLN A 106 -5.619 24.803 -1.989 1.00 43.43 C ATOM 1619 C GLN A 106 -5.865 26.195 -2.562 1.00 44.14 C ATOM 1620 O GLN A 106 -6.260 26.340 -3.718 1.00 62.23 O ATOM 1621 CB GLN A 106 -6.944 24.179 -1.547 1.00 44.43 C ATOM 1622 CG GLN A 106 -7.499 24.776 -0.264 1.00 52.44 C ATOM 1623 CD GLN A 106 -7.568 23.769 0.866 1.00 32.31 C ATOM 1624 OE1 GLN A 106 -8.543 23.027 0.993 1.00 1.14 O ATOM 1625 NE2 GLN A 106 -6.531 23.736 1.695 1.00 51.42 N ATOM 0 H GLN A 106 -5.017 24.396 -0.022 1.00 62.02 H new ATOM 0 HA GLN A 106 -5.175 24.182 -2.768 1.00 43.43 H new ATOM 0 HB2 GLN A 106 -7.678 24.303 -2.343 1.00 44.43 H new ATOM 0 HB3 GLN A 106 -6.803 23.107 -1.408 1.00 44.43 H new ATOM 0 HG2 GLN A 106 -6.875 25.616 0.041 1.00 52.44 H new ATOM 0 HG3 GLN A 106 -8.497 25.172 -0.454 1.00 52.44 H new ATOM 0 HE21 GLN A 106 -5.744 24.369 1.553 1.00 51.42 H new ATOM 0 HE22 GLN A 106 -6.522 23.078 2.474 1.00 51.42 H new ATOM 1634 N ASN A 107 -5.628 27.216 -1.745 1.00 52.43 N ATOM 1635 CA ASN A 107 -5.825 28.597 -2.171 1.00 52.32 C ATOM 1636 C ASN A 107 -4.691 29.052 -3.085 1.00 21.05 C ATOM 1637 O ASN A 107 -4.886 29.889 -3.966 1.00 43.43 O ATOM 1638 CB ASN A 107 -5.916 29.520 -0.954 1.00 51.22 C ATOM 1639 CG ASN A 107 -7.346 29.907 -0.628 1.00 5.34 C ATOM 1640 OD1 ASN A 107 -7.691 31.089 -0.608 1.00 33.32 O ATOM 1641 ND2 ASN A 107 -8.184 28.910 -0.369 1.00 40.42 N ATOM 0 H ASN A 107 -5.299 27.113 -0.785 1.00 52.43 H new ATOM 0 HA ASN A 107 -6.760 28.649 -2.729 1.00 52.32 H new ATOM 0 HB2 ASN A 107 -5.471 29.024 -0.091 1.00 51.22 H new ATOM 0 HB3 ASN A 107 -5.332 30.421 -1.140 1.00 51.22 H new ATOM 0 HD21 ASN A 107 -9.158 29.109 -0.142 1.00 40.42 H new ATOM 0 HD22 ASN A 107 -7.853 27.945 -0.397 1.00 40.42 H new ATOM 1648 N THR A 108 -3.504 28.494 -2.868 1.00 61.40 N ATOM 1649 CA THR A 108 -2.338 28.841 -3.670 1.00 41.13 C ATOM 1650 C THR A 108 -2.294 28.026 -4.958 1.00 4.13 C ATOM 1651 O THR A 108 -1.963 28.548 -6.023 1.00 13.42 O ATOM 1652 CB THR A 108 -1.030 28.616 -2.888 1.00 73.31 C ATOM 1653 OG1 THR A 108 -0.765 29.740 -2.042 1.00 53.32 O ATOM 1654 CG2 THR A 108 0.139 28.403 -3.838 1.00 33.40 C ATOM 0 H THR A 108 -3.325 27.799 -2.143 1.00 61.40 H new ATOM 0 HA THR A 108 -2.428 29.899 -3.916 1.00 41.13 H new ATOM 0 HB THR A 108 -1.148 27.722 -2.276 1.00 73.31 H new ATOM 0 HG1 THR A 108 0.117 30.110 -2.256 1.00 53.32 H new ATOM 0 HG21 THR A 108 1.051 28.246 -3.263 1.00 33.40 H new ATOM 0 HG22 THR A 108 -0.052 27.529 -4.460 1.00 33.40 H new ATOM 0 HG23 THR A 108 0.257 29.281 -4.473 1.00 33.40 H new ATOM 1662 N ILE A 109 -2.629 26.745 -4.853 1.00 25.41 N ATOM 1663 CA ILE A 109 -2.628 25.858 -6.010 1.00 54.42 C ATOM 1664 C ILE A 109 -3.625 26.330 -7.064 1.00 4.11 C ATOM 1665 O ILE A 109 -3.485 26.023 -8.248 1.00 4.11 O ATOM 1666 CB ILE A 109 -2.968 24.410 -5.611 1.00 11.45 C ATOM 1667 CG1 ILE A 109 -1.750 23.733 -4.980 1.00 65.01 C ATOM 1668 CG2 ILE A 109 -3.450 23.626 -6.822 1.00 24.33 C ATOM 1669 CD1 ILE A 109 -1.600 24.014 -3.501 1.00 64.14 C ATOM 0 H ILE A 109 -2.905 26.298 -3.979 1.00 25.41 H new ATOM 0 HA ILE A 109 -1.621 25.884 -6.426 1.00 54.42 H new ATOM 0 HB ILE A 109 -3.771 24.430 -4.874 1.00 11.45 H new ATOM 0 HG12 ILE A 109 -1.824 22.656 -5.131 1.00 65.01 H new ATOM 0 HG13 ILE A 109 -0.851 24.066 -5.498 1.00 65.01 H new ATOM 0 HG21 ILE A 109 -3.686 22.605 -6.524 1.00 24.33 H new ATOM 0 HG22 ILE A 109 -4.342 24.100 -7.231 1.00 24.33 H new ATOM 0 HG23 ILE A 109 -2.667 23.611 -7.581 1.00 24.33 H new ATOM 0 HD11 ILE A 109 -0.716 23.502 -3.121 1.00 64.14 H new ATOM 0 HD12 ILE A 109 -1.494 25.087 -3.344 1.00 64.14 H new ATOM 0 HD13 ILE A 109 -2.482 23.655 -2.971 1.00 64.14 H new ATOM 1681 N VAL A 110 -4.631 27.080 -6.625 1.00 42.05 N ATOM 1682 CA VAL A 110 -5.650 27.597 -7.531 1.00 3.41 C ATOM 1683 C VAL A 110 -5.148 28.829 -8.277 1.00 31.14 C ATOM 1684 O VAL A 110 -5.571 29.104 -9.400 1.00 22.41 O ATOM 1685 CB VAL A 110 -6.941 27.960 -6.774 1.00 73.11 C ATOM 1686 CG1 VAL A 110 -7.512 26.735 -6.075 1.00 54.53 C ATOM 1687 CG2 VAL A 110 -6.678 29.079 -5.777 1.00 72.45 C ATOM 0 H VAL A 110 -4.762 27.343 -5.648 1.00 42.05 H new ATOM 0 HA VAL A 110 -5.868 26.805 -8.248 1.00 3.41 H new ATOM 0 HB VAL A 110 -7.677 28.314 -7.496 1.00 73.11 H new ATOM 0 HG11 VAL A 110 -8.424 27.010 -5.545 1.00 54.53 H new ATOM 0 HG12 VAL A 110 -7.740 25.967 -6.814 1.00 54.53 H new ATOM 0 HG13 VAL A 110 -6.782 26.349 -5.364 1.00 54.53 H new ATOM 0 HG21 VAL A 110 -7.601 29.322 -5.251 1.00 72.45 H new ATOM 0 HG22 VAL A 110 -5.925 28.756 -5.058 1.00 72.45 H new ATOM 0 HG23 VAL A 110 -6.319 29.961 -6.307 1.00 72.45 H new ATOM 1697 N LYS A 111 -4.243 29.568 -7.645 1.00 1.43 N ATOM 1698 CA LYS A 111 -3.680 30.771 -8.248 1.00 35.12 C ATOM 1699 C LYS A 111 -2.555 30.419 -9.215 1.00 4.01 C ATOM 1700 O LYS A 111 -2.298 31.146 -10.175 1.00 71.45 O ATOM 1701 CB LYS A 111 -3.158 31.714 -7.162 1.00 11.31 C ATOM 1702 CG LYS A 111 -1.661 31.607 -6.931 1.00 63.53 C ATOM 1703 CD LYS A 111 -1.289 31.966 -5.502 1.00 53.05 C ATOM 1704 CE LYS A 111 -0.869 33.423 -5.386 1.00 11.24 C ATOM 1705 NZ LYS A 111 -0.042 33.666 -4.171 1.00 41.24 N ATOM 0 H LYS A 111 -3.883 29.355 -6.715 1.00 1.43 H new ATOM 0 HA LYS A 111 -4.471 31.272 -8.806 1.00 35.12 H new ATOM 0 HB2 LYS A 111 -3.402 32.740 -7.436 1.00 11.31 H new ATOM 0 HB3 LYS A 111 -3.677 31.501 -6.228 1.00 11.31 H new ATOM 0 HG2 LYS A 111 -1.330 30.592 -7.150 1.00 63.53 H new ATOM 0 HG3 LYS A 111 -1.137 32.269 -7.621 1.00 63.53 H new ATOM 0 HD2 LYS A 111 -2.138 31.777 -4.845 1.00 53.05 H new ATOM 0 HD3 LYS A 111 -0.476 31.324 -5.164 1.00 53.05 H new ATOM 0 HE2 LYS A 111 -0.305 33.710 -6.273 1.00 11.24 H new ATOM 0 HE3 LYS A 111 -1.756 34.055 -5.354 1.00 11.24 H new ATOM 0 HZ1 LYS A 111 0.224 34.670 -4.128 1.00 41.24 H new ATOM 0 HZ2 LYS A 111 -0.589 33.416 -3.323 1.00 41.24 H new ATOM 0 HZ3 LYS A 111 0.817 33.082 -4.213 1.00 41.24 H new ATOM 1719 N HIS A 112 -1.886 29.299 -8.956 1.00 13.50 N ATOM 1720 CA HIS A 112 -0.789 28.850 -9.805 1.00 41.44 C ATOM 1721 C HIS A 112 -1.254 27.754 -10.759 1.00 62.12 C ATOM 1722 O HIS A 112 -0.992 27.810 -11.961 1.00 23.13 O ATOM 1723 CB HIS A 112 0.371 28.340 -8.949 1.00 74.04 C ATOM 1724 CG HIS A 112 0.814 29.313 -7.901 1.00 23.34 C ATOM 1725 ND1 HIS A 112 1.206 29.116 -6.620 1.00 51.34 N flip ATOM 1726 CD2 HIS A 112 0.889 30.672 -8.118 1.00 43.30 C flip ATOM 1727 CE1 HIS A 112 1.509 30.348 -6.093 1.00 23.12 C flip ATOM 1728 NE2 HIS A 112 1.309 31.270 -7.018 1.00 73.12 N flip ATOM 0 H HIS A 112 -2.085 28.686 -8.165 1.00 13.50 H new ATOM 0 HA HIS A 112 -0.448 29.700 -10.396 1.00 41.44 H new ATOM 0 HB2 HIS A 112 0.074 27.409 -8.466 1.00 74.04 H new ATOM 0 HB3 HIS A 112 1.216 28.107 -9.598 1.00 74.04 H new ATOM 0 HD1 HIS A 112 1.265 28.220 -6.136 1.00 51.34 H new ATOM 0 HD2 HIS A 112 0.643 31.170 -9.044 1.00 43.30 H new ATOM 0 HE1 HIS A 112 1.854 30.533 -5.087 1.00 23.12 H new ATOM 1736 N VAL A 113 -1.945 26.757 -10.215 1.00 64.14 N ATOM 1737 CA VAL A 113 -2.446 25.648 -11.018 1.00 32.43 C ATOM 1738 C VAL A 113 -3.883 25.897 -11.464 1.00 5.34 C ATOM 1739 O VAL A 113 -4.300 25.447 -12.530 1.00 4.50 O ATOM 1740 CB VAL A 113 -2.385 24.320 -10.240 1.00 33.33 C ATOM 1741 CG1 VAL A 113 -2.536 23.139 -11.186 1.00 64.43 C ATOM 1742 CG2 VAL A 113 -1.086 24.222 -9.454 1.00 73.02 C ATOM 0 H VAL A 113 -2.170 26.695 -9.222 1.00 64.14 H new ATOM 0 HA VAL A 113 -1.803 25.577 -11.896 1.00 32.43 H new ATOM 0 HB VAL A 113 -3.214 24.296 -9.532 1.00 33.33 H new ATOM 0 HG11 VAL A 113 -2.490 22.210 -10.618 1.00 64.43 H new ATOM 0 HG12 VAL A 113 -3.496 23.204 -11.699 1.00 64.43 H new ATOM 0 HG13 VAL A 113 -1.730 23.156 -11.920 1.00 64.43 H new ATOM 0 HG21 VAL A 113 -1.060 23.278 -8.910 1.00 73.02 H new ATOM 0 HG22 VAL A 113 -0.241 24.269 -10.141 1.00 73.02 H new ATOM 0 HG23 VAL A 113 -1.025 25.049 -8.747 1.00 73.02 H new ATOM 1752 N GLY A 114 -4.636 26.619 -10.639 1.00 23.00 N ATOM 1753 CA GLY A 114 -6.018 26.917 -10.966 1.00 22.21 C ATOM 1754 C GLY A 114 -6.145 28.032 -11.985 1.00 13.04 C ATOM 1755 O GLY A 114 -7.234 28.294 -12.495 1.00 60.11 O ATOM 0 H GLY A 114 -4.313 27.002 -9.751 1.00 23.00 H new ATOM 0 HA2 GLY A 114 -6.498 26.019 -11.353 1.00 22.21 H new ATOM 0 HA3 GLY A 114 -6.551 27.197 -10.057 1.00 22.21 H new ATOM 1759 N ALA A 115 -5.030 28.692 -12.280 1.00 32.20 N ATOM 1760 CA ALA A 115 -5.022 29.785 -13.244 1.00 61.24 C ATOM 1761 C ALA A 115 -6.300 30.611 -13.148 1.00 43.43 C ATOM 1762 O ALA A 115 -6.870 31.013 -14.163 1.00 51.22 O ATOM 1763 CB ALA A 115 -4.847 29.242 -14.655 1.00 43.42 C ATOM 0 H ALA A 115 -4.121 28.489 -11.865 1.00 32.20 H new ATOM 0 HA ALA A 115 -4.181 30.437 -13.010 1.00 61.24 H new ATOM 0 HB1 ALA A 115 -4.843 30.069 -15.365 1.00 43.42 H new ATOM 0 HB2 ALA A 115 -3.903 28.701 -14.722 1.00 43.42 H new ATOM 0 HB3 ALA A 115 -5.670 28.567 -14.890 1.00 43.42 H new