USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=13 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 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 112 HIS :FLIP no HE2:sc= -9.85! C(o=-11!,f=-9.9!) USER MOD Set 2.1: A 82 MET CE :methyl -166:sc= -7.07! (180deg=-4.34!) USER MOD Set 2.2: A 84 THR OG1 : rot -150:sc= -2.74! USER MOD Set 3.1: A 76 LYS NZ :NH3+ -157:sc= -0.0525 (180deg=-0.138) USER MOD Set 3.2: A 77 TYR OH : rot 180:sc= -0.0552 USER MOD Single : A 11 CYS SG : rot 120:sc= -5.25 USER MOD Single : A 12 HIS : no HD1:sc= -0.353 K(o=-0.35,f=-0.88) USER MOD Single : A 13 ASN :FLIP amide:sc= -7.12! C(o=-9.3!,f=-7.1!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -1.92 X(o=-1.9,f=-1.7) USER MOD Single : A 21 MET CE :methyl -152:sc= -8.95! (180deg=-12.3!) 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+ -121:sc= 0.0996 (180deg=-1.01) 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 53 TYR OH : 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.212 X(o=-0.21,f=-0.031) 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 106 GLN : amide:sc= -13! C(o=-13!,f=-15!) USER MOD Single : A 107 ASN : amide:sc=-0.00667 X(o=-0.0067,f=-0.0067) USER MOD Single : A 108 THR OG1 : rot 88:sc= -0.852 USER MOD ----------------------------------------------------------------- ATOM 53 N GLU A 5 2.645 6.962 -6.531 1.00 3.25 N ATOM 54 CA GLU A 5 1.504 7.057 -7.433 1.00 41.02 C ATOM 55 C GLU A 5 1.373 8.469 -7.998 1.00 34.34 C ATOM 56 O GLU A 5 2.328 9.244 -7.988 1.00 53.13 O ATOM 57 CB GLU A 5 0.216 6.665 -6.706 1.00 23.21 C ATOM 58 CG GLU A 5 0.396 5.517 -5.726 1.00 52.15 C ATOM 59 CD GLU A 5 0.365 4.161 -6.405 1.00 3.22 C ATOM 60 OE1 GLU A 5 1.090 3.981 -7.405 1.00 45.22 O ATOM 61 OE2 GLU A 5 -0.384 3.280 -5.934 1.00 72.12 O ATOM 0 HA GLU A 5 1.670 6.367 -8.260 1.00 41.02 H new ATOM 0 HB2 GLU A 5 -0.167 7.533 -6.170 1.00 23.21 H new ATOM 0 HB3 GLU A 5 -0.538 6.388 -7.443 1.00 23.21 H new ATOM 0 HG2 GLU A 5 1.345 5.636 -5.203 1.00 52.15 H new ATOM 0 HG3 GLU A 5 -0.391 5.560 -4.973 1.00 52.15 H new ATOM 68 N GLY A 6 0.181 8.795 -8.490 1.00 20.44 N ATOM 69 CA GLY A 6 -0.054 10.112 -9.052 1.00 73.51 C ATOM 70 C GLY A 6 -0.373 11.146 -7.992 1.00 15.45 C ATOM 71 O GLY A 6 -1.074 12.123 -8.257 1.00 74.15 O ATOM 0 H GLY A 6 -0.625 8.171 -8.509 1.00 20.44 H new ATOM 0 HA2 GLY A 6 0.827 10.428 -9.610 1.00 73.51 H new ATOM 0 HA3 GLY A 6 -0.879 10.058 -9.763 1.00 73.51 H new ATOM 75 N VAL A 7 0.141 10.933 -6.784 1.00 74.44 N ATOM 76 CA VAL A 7 -0.094 11.854 -5.679 1.00 41.33 C ATOM 77 C VAL A 7 1.162 12.655 -5.355 1.00 65.51 C ATOM 78 O VAL A 7 2.219 12.440 -5.949 1.00 62.50 O ATOM 79 CB VAL A 7 -0.554 11.107 -4.414 1.00 15.25 C ATOM 80 CG1 VAL A 7 -1.429 9.919 -4.783 1.00 61.31 C ATOM 81 CG2 VAL A 7 0.646 10.662 -3.592 1.00 72.51 C ATOM 0 H VAL A 7 0.723 10.130 -6.546 1.00 74.44 H new ATOM 0 HA VAL A 7 -0.884 12.535 -5.997 1.00 41.33 H new ATOM 0 HB VAL A 7 -1.148 11.789 -3.806 1.00 15.25 H new ATOM 0 HG11 VAL A 7 -1.744 9.404 -3.876 1.00 61.31 H new ATOM 0 HG12 VAL A 7 -2.307 10.269 -5.326 1.00 61.31 H new ATOM 0 HG13 VAL A 7 -0.863 9.232 -5.413 1.00 61.31 H new ATOM 0 HG21 VAL A 7 0.302 10.136 -2.702 1.00 72.51 H new ATOM 0 HG22 VAL A 7 1.269 9.996 -4.189 1.00 72.51 H new ATOM 0 HG23 VAL A 7 1.228 11.535 -3.296 1.00 72.51 H new ATOM 91 N VAL A 8 1.041 13.579 -4.408 1.00 14.13 N ATOM 92 CA VAL A 8 2.167 14.411 -4.002 1.00 50.44 C ATOM 93 C VAL A 8 3.410 13.567 -3.746 1.00 20.12 C ATOM 94 O VAL A 8 3.600 13.041 -2.649 1.00 11.25 O ATOM 95 CB VAL A 8 1.839 15.221 -2.734 1.00 32.23 C ATOM 96 CG1 VAL A 8 0.666 16.156 -2.985 1.00 72.13 C ATOM 97 CG2 VAL A 8 1.547 14.288 -1.568 1.00 2.12 C ATOM 0 H VAL A 8 0.173 13.771 -3.907 1.00 14.13 H new ATOM 0 HA VAL A 8 2.363 15.101 -4.823 1.00 50.44 H new ATOM 0 HB VAL A 8 2.707 15.828 -2.477 1.00 32.23 H new ATOM 0 HG11 VAL A 8 0.449 16.720 -2.078 1.00 72.13 H new ATOM 0 HG12 VAL A 8 0.917 16.847 -3.790 1.00 72.13 H new ATOM 0 HG13 VAL A 8 -0.210 15.573 -3.268 1.00 72.13 H new ATOM 0 HG21 VAL A 8 1.317 14.877 -0.680 1.00 2.12 H new ATOM 0 HG22 VAL A 8 0.695 13.654 -1.814 1.00 2.12 H new ATOM 0 HG23 VAL A 8 2.419 13.664 -1.374 1.00 2.12 H new ATOM 107 N ILE A 9 4.254 13.441 -4.764 1.00 52.44 N ATOM 108 CA ILE A 9 5.480 12.662 -4.648 1.00 60.15 C ATOM 109 C ILE A 9 6.175 12.926 -3.317 1.00 63.22 C ATOM 110 O ILE A 9 5.831 13.866 -2.601 1.00 63.33 O ATOM 111 CB ILE A 9 6.457 12.976 -5.796 1.00 65.05 C ATOM 112 CG1 ILE A 9 5.731 12.927 -7.142 1.00 13.30 C ATOM 113 CG2 ILE A 9 7.623 11.998 -5.782 1.00 50.22 C ATOM 114 CD1 ILE A 9 4.905 11.675 -7.338 1.00 24.20 C ATOM 0 H ILE A 9 4.111 13.869 -5.679 1.00 52.44 H new ATOM 0 HA ILE A 9 5.193 11.612 -4.703 1.00 60.15 H new ATOM 0 HB ILE A 9 6.850 13.983 -5.653 1.00 65.05 H new ATOM 0 HG12 ILE A 9 5.081 13.798 -7.227 1.00 13.30 H new ATOM 0 HG13 ILE A 9 6.465 12.997 -7.944 1.00 13.30 H new ATOM 0 HG21 ILE A 9 8.305 12.233 -6.599 1.00 50.22 H new ATOM 0 HG22 ILE A 9 8.153 12.078 -4.833 1.00 50.22 H new ATOM 0 HG23 ILE A 9 7.247 10.982 -5.904 1.00 50.22 H new ATOM 0 HD11 ILE A 9 4.419 11.709 -8.313 1.00 24.20 H new ATOM 0 HD12 ILE A 9 5.553 10.800 -7.285 1.00 24.20 H new ATOM 0 HD13 ILE A 9 4.147 11.613 -6.557 1.00 24.20 H new ATOM 126 N ALA A 10 7.157 12.091 -2.993 1.00 31.42 N ATOM 127 CA ALA A 10 7.904 12.236 -1.750 1.00 32.25 C ATOM 128 C ALA A 10 9.355 11.803 -1.927 1.00 61.12 C ATOM 129 O ALA A 10 9.740 10.707 -1.518 1.00 4.01 O ATOM 130 CB ALA A 10 7.243 11.431 -0.640 1.00 1.31 C ATOM 0 H ALA A 10 7.454 11.307 -3.574 1.00 31.42 H new ATOM 0 HA ALA A 10 7.898 13.290 -1.473 1.00 32.25 H new ATOM 0 HB1 ALA A 10 7.811 11.548 0.283 1.00 1.31 H new ATOM 0 HB2 ALA A 10 6.225 11.790 -0.487 1.00 1.31 H new ATOM 0 HB3 ALA A 10 7.219 10.378 -0.919 1.00 1.31 H new ATOM 136 N CYS A 11 10.155 12.669 -2.540 1.00 31.51 N ATOM 137 CA CYS A 11 11.564 12.374 -2.773 1.00 44.52 C ATOM 138 C CYS A 11 12.352 12.416 -1.468 1.00 12.43 C ATOM 139 O CYS A 11 11.777 12.552 -0.387 1.00 55.13 O ATOM 140 CB CYS A 11 12.156 13.370 -3.772 1.00 40.10 C ATOM 141 SG CYS A 11 12.340 15.047 -3.122 1.00 12.23 S ATOM 0 H CYS A 11 9.852 13.580 -2.884 1.00 31.51 H new ATOM 0 HA CYS A 11 11.635 11.368 -3.187 1.00 44.52 H new ATOM 0 HB2 CYS A 11 13.132 13.008 -4.095 1.00 40.10 H new ATOM 0 HB3 CYS A 11 11.520 13.403 -4.657 1.00 40.10 H new ATOM 0 HG CYS A 11 13.593 15.392 -3.161 1.00 12.23 H new ATOM 147 N HIS A 12 13.672 12.298 -1.574 1.00 75.55 N ATOM 148 CA HIS A 12 14.539 12.321 -0.402 1.00 34.22 C ATOM 149 C HIS A 12 16.002 12.171 -0.805 1.00 63.14 C ATOM 150 O HIS A 12 16.815 11.646 -0.045 1.00 51.33 O ATOM 151 CB HIS A 12 14.149 11.206 0.569 1.00 15.13 C ATOM 152 CG HIS A 12 13.746 9.934 -0.110 1.00 71.52 C ATOM 153 ND1 HIS A 12 12.434 9.523 -0.224 1.00 3.33 N ATOM 154 CD2 HIS A 12 14.491 8.979 -0.715 1.00 52.04 C ATOM 155 CE1 HIS A 12 12.390 8.371 -0.868 1.00 20.33 C ATOM 156 NE2 HIS A 12 13.625 8.019 -1.178 1.00 32.24 N ATOM 0 H HIS A 12 14.164 12.185 -2.460 1.00 75.55 H new ATOM 0 HA HIS A 12 14.414 13.284 0.093 1.00 34.22 H new ATOM 0 HB2 HIS A 12 14.989 11.003 1.233 1.00 15.13 H new ATOM 0 HB3 HIS A 12 13.325 11.551 1.194 1.00 15.13 H new ATOM 0 HD2 HIS A 12 15.566 8.973 -0.815 1.00 52.04 H new ATOM 0 HE1 HIS A 12 11.496 7.812 -1.102 1.00 20.33 H new ATOM 0 HE2 HIS A 12 13.892 7.172 -1.680 1.00 32.24 H new ATOM 164 N ASN A 13 16.330 12.635 -2.007 1.00 24.11 N ATOM 165 CA ASN A 13 17.696 12.551 -2.512 1.00 10.01 C ATOM 166 C ASN A 13 17.879 13.444 -3.735 1.00 64.03 C ATOM 167 O ASN A 13 18.816 13.264 -4.514 1.00 53.43 O ATOM 168 CB ASN A 13 18.043 11.104 -2.866 1.00 72.44 C ATOM 169 CG ASN A 13 18.174 10.890 -4.362 1.00 51.21 C ATOM 170 OD1 ASN A 13 17.044 10.700 -5.034 1.00 11.32 O flip ATOM 171 ND2 ASN A 13 19.278 10.896 -4.907 1.00 1.43 N flip ATOM 0 H ASN A 13 15.669 13.073 -2.649 1.00 24.11 H new ATOM 0 HA ASN A 13 18.369 12.897 -1.728 1.00 10.01 H new ATOM 0 HB2 ASN A 13 18.978 10.828 -2.379 1.00 72.44 H new ATOM 0 HB3 ASN A 13 17.272 10.442 -2.473 1.00 72.44 H new ATOM 0 HD21 ASN A 13 20.120 11.046 -4.351 1.00 1.43 H new ATOM 0 HD22 ASN A 13 19.350 10.751 -5.914 1.00 1.43 H new ATOM 178 N LYS A 14 16.979 14.408 -3.898 1.00 21.42 N ATOM 179 CA LYS A 14 17.041 15.331 -5.025 1.00 31.04 C ATOM 180 C LYS A 14 16.742 14.611 -6.335 1.00 74.34 C ATOM 181 O LYS A 14 15.724 14.869 -6.978 1.00 34.51 O ATOM 182 CB LYS A 14 18.421 15.989 -5.096 1.00 15.53 C ATOM 183 CG LYS A 14 18.864 16.321 -6.510 1.00 63.51 C ATOM 184 CD LYS A 14 19.745 17.558 -6.543 1.00 3.12 C ATOM 185 CE LYS A 14 19.052 18.753 -5.906 1.00 71.21 C ATOM 186 NZ LYS A 14 19.248 19.997 -6.701 1.00 25.31 N ATOM 0 H LYS A 14 16.197 14.570 -3.263 1.00 21.42 H new ATOM 0 HA LYS A 14 16.285 16.101 -4.874 1.00 31.04 H new ATOM 0 HB2 LYS A 14 18.409 16.904 -4.504 1.00 15.53 H new ATOM 0 HB3 LYS A 14 19.155 15.324 -4.641 1.00 15.53 H new ATOM 0 HG2 LYS A 14 19.408 15.475 -6.930 1.00 63.51 H new ATOM 0 HG3 LYS A 14 17.988 16.480 -7.139 1.00 63.51 H new ATOM 0 HD2 LYS A 14 20.679 17.355 -6.018 1.00 3.12 H new ATOM 0 HD3 LYS A 14 20.004 17.794 -7.575 1.00 3.12 H new ATOM 0 HE2 LYS A 14 17.986 18.547 -5.812 1.00 71.21 H new ATOM 0 HE3 LYS A 14 19.438 18.902 -4.898 1.00 71.21 H new ATOM 0 HZ1 LYS A 14 18.761 20.788 -6.234 1.00 25.31 H new ATOM 0 HZ2 LYS A 14 20.264 20.208 -6.770 1.00 25.31 H new ATOM 0 HZ3 LYS A 14 18.857 19.864 -7.655 1.00 25.31 H new ATOM 200 N ASP A 15 17.633 13.707 -6.725 1.00 65.43 N ATOM 201 CA ASP A 15 17.463 12.947 -7.958 1.00 62.04 C ATOM 202 C ASP A 15 15.985 12.806 -8.310 1.00 25.51 C ATOM 203 O ASP A 15 15.597 12.951 -9.468 1.00 61.14 O ATOM 204 CB ASP A 15 18.103 11.564 -7.823 1.00 53.22 C ATOM 205 CG ASP A 15 19.100 11.277 -8.928 1.00 4.20 C ATOM 206 OD1 ASP A 15 19.877 12.190 -9.279 1.00 0.44 O ATOM 207 OD2 ASP A 15 19.105 10.139 -9.441 1.00 41.15 O ATOM 0 H ASP A 15 18.481 13.482 -6.205 1.00 65.43 H new ATOM 0 HA ASP A 15 17.959 13.491 -8.762 1.00 62.04 H new ATOM 0 HB2 ASP A 15 18.604 11.491 -6.858 1.00 53.22 H new ATOM 0 HB3 ASP A 15 17.323 10.803 -7.835 1.00 53.22 H new ATOM 212 N GLU A 16 15.167 12.520 -7.302 1.00 3.13 N ATOM 213 CA GLU A 16 13.733 12.357 -7.506 1.00 13.11 C ATOM 214 C GLU A 16 13.031 13.712 -7.543 1.00 20.31 C ATOM 215 O GLU A 16 12.182 13.960 -8.399 1.00 40.42 O ATOM 216 CB GLU A 16 13.133 11.490 -6.397 1.00 74.23 C ATOM 217 CG GLU A 16 14.174 10.776 -5.552 1.00 0.23 C ATOM 218 CD GLU A 16 13.677 9.450 -5.010 1.00 71.24 C ATOM 219 OE1 GLU A 16 12.579 9.427 -4.416 1.00 73.40 O ATOM 220 OE2 GLU A 16 14.385 8.436 -5.181 1.00 24.14 O ATOM 0 H GLU A 16 15.473 12.397 -6.337 1.00 3.13 H new ATOM 0 HA GLU A 16 13.582 11.863 -8.466 1.00 13.11 H new ATOM 0 HB2 GLU A 16 12.519 12.116 -5.750 1.00 74.23 H new ATOM 0 HB3 GLU A 16 12.471 10.749 -6.845 1.00 74.23 H new ATOM 0 HG2 GLU A 16 15.069 10.607 -6.151 1.00 0.23 H new ATOM 0 HG3 GLU A 16 14.464 11.418 -4.720 1.00 0.23 H new ATOM 227 N PHE A 17 13.392 14.584 -6.607 1.00 74.14 N ATOM 228 CA PHE A 17 12.796 15.913 -6.531 1.00 63.01 C ATOM 229 C PHE A 17 12.810 16.594 -7.896 1.00 51.24 C ATOM 230 O PHE A 17 11.827 17.213 -8.303 1.00 14.40 O ATOM 231 CB PHE A 17 13.546 16.773 -5.512 1.00 3.21 C ATOM 232 CG PHE A 17 14.140 18.021 -6.101 1.00 73.45 C ATOM 233 CD1 PHE A 17 15.360 17.981 -6.756 1.00 62.20 C ATOM 234 CD2 PHE A 17 13.477 19.233 -6.001 1.00 1.44 C ATOM 235 CE1 PHE A 17 15.909 19.127 -7.300 1.00 71.20 C ATOM 236 CE2 PHE A 17 14.021 20.383 -6.543 1.00 73.50 C ATOM 237 CZ PHE A 17 15.239 20.329 -7.192 1.00 54.54 C ATOM 0 H PHE A 17 14.094 14.394 -5.891 1.00 74.14 H new ATOM 0 HA PHE A 17 11.760 15.802 -6.211 1.00 63.01 H new ATOM 0 HB2 PHE A 17 12.863 17.050 -4.709 1.00 3.21 H new ATOM 0 HB3 PHE A 17 14.342 16.179 -5.063 1.00 3.21 H new ATOM 0 HD1 PHE A 17 15.889 17.043 -6.843 1.00 62.20 H new ATOM 0 HD2 PHE A 17 12.525 19.280 -5.494 1.00 1.44 H new ATOM 0 HE1 PHE A 17 16.861 19.082 -7.809 1.00 71.20 H new ATOM 0 HE2 PHE A 17 13.494 21.322 -6.459 1.00 73.50 H new ATOM 0 HZ PHE A 17 15.667 21.226 -7.614 1.00 54.54 H new ATOM 247 N ASP A 18 13.931 16.476 -8.599 1.00 22.52 N ATOM 248 CA ASP A 18 14.074 17.079 -9.919 1.00 21.13 C ATOM 249 C ASP A 18 13.137 16.416 -10.924 1.00 22.14 C ATOM 250 O ASP A 18 12.632 17.066 -11.839 1.00 25.43 O ATOM 251 CB ASP A 18 15.521 16.966 -10.401 1.00 3.04 C ATOM 252 CG ASP A 18 16.279 18.272 -10.268 1.00 42.30 C ATOM 253 OD1 ASP A 18 15.678 19.335 -10.527 1.00 12.51 O ATOM 254 OD2 ASP A 18 17.474 18.231 -9.906 1.00 50.42 O ATOM 0 H ASP A 18 14.755 15.968 -8.276 1.00 22.52 H new ATOM 0 HA ASP A 18 13.807 18.133 -9.840 1.00 21.13 H new ATOM 0 HB2 ASP A 18 16.032 16.192 -9.828 1.00 3.04 H new ATOM 0 HB3 ASP A 18 15.530 16.649 -11.444 1.00 3.04 H new ATOM 259 N ALA A 19 12.910 15.118 -10.747 1.00 3.54 N ATOM 260 CA ALA A 19 12.034 14.368 -11.637 1.00 34.20 C ATOM 261 C ALA A 19 10.677 15.050 -11.775 1.00 34.35 C ATOM 262 O ALA A 19 10.007 14.917 -12.798 1.00 74.32 O ATOM 263 CB ALA A 19 11.862 12.943 -11.131 1.00 12.31 C ATOM 0 H ALA A 19 13.321 14.565 -9.995 1.00 3.54 H new ATOM 0 HA ALA A 19 12.498 14.338 -12.623 1.00 34.20 H new ATOM 0 HB1 ALA A 19 11.205 12.394 -11.806 1.00 12.31 H new ATOM 0 HB2 ALA A 19 12.834 12.451 -11.091 1.00 12.31 H new ATOM 0 HB3 ALA A 19 11.424 12.962 -10.133 1.00 12.31 H new ATOM 269 N GLN A 20 10.278 15.779 -10.737 1.00 60.21 N ATOM 270 CA GLN A 20 9.000 16.480 -10.743 1.00 74.01 C ATOM 271 C GLN A 20 9.170 17.919 -11.217 1.00 44.35 C ATOM 272 O GLN A 20 8.485 18.365 -12.138 1.00 24.04 O ATOM 273 CB GLN A 20 8.377 16.461 -9.346 1.00 3.42 C ATOM 274 CG GLN A 20 7.420 15.302 -9.121 1.00 63.14 C ATOM 275 CD GLN A 20 7.983 13.979 -9.602 1.00 43.02 C ATOM 276 OE1 GLN A 20 7.406 13.324 -10.470 1.00 53.14 O ATOM 277 NE2 GLN A 20 9.117 13.578 -9.039 1.00 42.32 N ATOM 0 H GLN A 20 10.821 15.899 -9.882 1.00 60.21 H new ATOM 0 HA GLN A 20 8.336 15.965 -11.437 1.00 74.01 H new ATOM 0 HB2 GLN A 20 9.173 16.413 -8.603 1.00 3.42 H new ATOM 0 HB3 GLN A 20 7.844 17.398 -9.182 1.00 3.42 H new ATOM 0 HG2 GLN A 20 7.187 15.229 -8.059 1.00 63.14 H new ATOM 0 HG3 GLN A 20 6.483 15.504 -9.639 1.00 63.14 H new ATOM 0 HE21 GLN A 20 9.562 14.152 -8.323 1.00 42.32 H new ATOM 0 HE22 GLN A 20 9.543 12.696 -9.323 1.00 42.32 H new ATOM 286 N MET A 21 10.088 18.641 -10.583 1.00 1.31 N ATOM 287 CA MET A 21 10.349 20.031 -10.941 1.00 61.44 C ATOM 288 C MET A 21 10.491 20.185 -12.452 1.00 71.23 C ATOM 289 O MET A 21 10.099 21.204 -13.023 1.00 23.42 O ATOM 290 CB MET A 21 11.616 20.530 -10.245 1.00 3.01 C ATOM 291 CG MET A 21 11.367 21.675 -9.277 1.00 34.03 C ATOM 292 SD MET A 21 11.174 21.115 -7.574 1.00 12.04 S ATOM 293 CE MET A 21 9.633 20.208 -7.688 1.00 4.33 C ATOM 0 H MET A 21 10.664 18.287 -9.819 1.00 1.31 H new ATOM 0 HA MET A 21 9.501 20.631 -10.610 1.00 61.44 H new ATOM 0 HB2 MET A 21 12.074 19.702 -9.705 1.00 3.01 H new ATOM 0 HB3 MET A 21 12.332 20.853 -11.000 1.00 3.01 H new ATOM 0 HG2 MET A 21 12.197 22.379 -9.332 1.00 34.03 H new ATOM 0 HG3 MET A 21 10.470 22.215 -9.582 1.00 34.03 H new ATOM 0 HE1 MET A 21 9.127 20.228 -6.723 1.00 4.33 H new ATOM 0 HE2 MET A 21 8.995 20.669 -8.442 1.00 4.33 H new ATOM 0 HE3 MET A 21 9.839 19.175 -7.969 1.00 4.33 H new ATOM 303 N THR A 22 11.054 19.167 -13.096 1.00 52.15 N ATOM 304 CA THR A 22 11.249 19.190 -14.541 1.00 14.44 C ATOM 305 C THR A 22 9.986 18.751 -15.273 1.00 20.31 C ATOM 306 O THR A 22 9.769 19.111 -16.430 1.00 64.11 O ATOM 307 CB THR A 22 12.417 18.281 -14.965 1.00 4.04 C ATOM 308 OG1 THR A 22 13.582 19.071 -15.229 1.00 52.23 O ATOM 309 CG2 THR A 22 12.054 17.474 -16.202 1.00 12.11 C ATOM 0 H THR A 22 11.383 18.316 -12.640 1.00 52.15 H new ATOM 0 HA THR A 22 11.483 20.219 -14.812 1.00 14.44 H new ATOM 0 HB THR A 22 12.625 17.590 -14.148 1.00 4.04 H new ATOM 0 HG1 THR A 22 14.321 18.485 -15.496 1.00 52.23 H new ATOM 0 HG21 THR A 22 12.895 16.840 -16.482 1.00 12.11 H new ATOM 0 HG22 THR A 22 11.185 16.851 -15.988 1.00 12.11 H new ATOM 0 HG23 THR A 22 11.821 18.152 -17.023 1.00 12.11 H new ATOM 317 N LYS A 23 9.154 17.970 -14.592 1.00 0.34 N ATOM 318 CA LYS A 23 7.911 17.482 -15.176 1.00 54.21 C ATOM 319 C LYS A 23 6.812 18.535 -15.075 1.00 53.30 C ATOM 320 O LYS A 23 5.626 18.208 -15.048 1.00 31.34 O ATOM 321 CB LYS A 23 7.465 16.196 -14.477 1.00 72.10 C ATOM 322 CG LYS A 23 7.766 14.936 -15.271 1.00 54.50 C ATOM 323 CD LYS A 23 7.820 13.711 -14.374 1.00 1.42 C ATOM 324 CE LYS A 23 8.991 12.809 -14.733 1.00 53.10 C ATOM 325 NZ LYS A 23 8.606 11.371 -14.722 1.00 21.55 N ATOM 0 H LYS A 23 9.319 17.661 -13.634 1.00 0.34 H new ATOM 0 HA LYS A 23 8.093 17.271 -16.230 1.00 54.21 H new ATOM 0 HB2 LYS A 23 7.957 16.130 -13.507 1.00 72.10 H new ATOM 0 HB3 LYS A 23 6.393 16.248 -14.287 1.00 72.10 H new ATOM 0 HG2 LYS A 23 7.002 14.795 -16.035 1.00 54.50 H new ATOM 0 HG3 LYS A 23 8.718 15.050 -15.790 1.00 54.50 H new ATOM 0 HD2 LYS A 23 7.906 14.024 -13.333 1.00 1.42 H new ATOM 0 HD3 LYS A 23 6.888 13.152 -14.463 1.00 1.42 H new ATOM 0 HE2 LYS A 23 9.367 13.077 -15.721 1.00 53.10 H new ATOM 0 HE3 LYS A 23 9.805 12.973 -14.027 1.00 53.10 H new ATOM 0 HZ1 LYS A 23 9.431 10.789 -14.972 1.00 21.55 H new ATOM 0 HZ2 LYS A 23 8.271 11.108 -13.773 1.00 21.55 H new ATOM 0 HZ3 LYS A 23 7.846 11.210 -15.414 1.00 21.55 H new ATOM 339 N ALA A 24 7.214 19.801 -15.021 1.00 62.34 N ATOM 340 CA ALA A 24 6.263 20.901 -14.927 1.00 44.42 C ATOM 341 C ALA A 24 6.522 21.944 -16.009 1.00 50.42 C ATOM 342 O ALA A 24 5.611 22.338 -16.737 1.00 55.33 O ATOM 343 CB ALA A 24 6.331 21.541 -13.548 1.00 61.22 C ATOM 0 H ALA A 24 8.192 20.090 -15.041 1.00 62.34 H new ATOM 0 HA ALA A 24 5.262 20.497 -15.080 1.00 44.42 H new ATOM 0 HB1 ALA A 24 5.615 22.361 -13.492 1.00 61.22 H new ATOM 0 HB2 ALA A 24 6.090 20.797 -12.789 1.00 61.22 H new ATOM 0 HB3 ALA A 24 7.336 21.924 -13.374 1.00 61.22 H new ATOM 349 N LYS A 25 7.770 22.389 -16.109 1.00 50.34 N ATOM 350 CA LYS A 25 8.150 23.387 -17.103 1.00 32.42 C ATOM 351 C LYS A 25 7.859 22.887 -18.514 1.00 54.03 C ATOM 352 O LYS A 25 7.280 23.605 -19.329 1.00 10.11 O ATOM 353 CB LYS A 25 9.635 23.731 -16.968 1.00 70.53 C ATOM 354 CG LYS A 25 10.537 22.511 -16.892 1.00 42.04 C ATOM 355 CD LYS A 25 11.724 22.752 -15.974 1.00 71.44 C ATOM 356 CE LYS A 25 11.279 23.237 -14.603 1.00 74.24 C ATOM 357 NZ LYS A 25 12.185 22.757 -13.524 1.00 5.42 N ATOM 0 H LYS A 25 8.536 22.074 -15.514 1.00 50.34 H new ATOM 0 HA LYS A 25 7.558 24.285 -16.925 1.00 32.42 H new ATOM 0 HB2 LYS A 25 9.936 24.343 -17.818 1.00 70.53 H new ATOM 0 HB3 LYS A 25 9.779 24.336 -16.073 1.00 70.53 H new ATOM 0 HG2 LYS A 25 9.965 21.656 -16.532 1.00 42.04 H new ATOM 0 HG3 LYS A 25 10.893 22.258 -17.891 1.00 42.04 H new ATOM 0 HD2 LYS A 25 12.296 21.830 -15.867 1.00 71.44 H new ATOM 0 HD3 LYS A 25 12.389 23.489 -16.424 1.00 71.44 H new ATOM 0 HE2 LYS A 25 11.250 24.327 -14.595 1.00 74.24 H new ATOM 0 HE3 LYS A 25 10.265 22.890 -14.407 1.00 74.24 H new ATOM 0 HZ1 LYS A 25 11.641 22.195 -12.839 1.00 5.42 H new ATOM 0 HZ2 LYS A 25 12.935 22.167 -13.937 1.00 5.42 H new ATOM 0 HZ3 LYS A 25 12.612 23.573 -13.041 1.00 5.42 H new ATOM 371 N GLU A 26 8.262 21.652 -18.795 1.00 64.02 N ATOM 372 CA GLU A 26 8.043 21.058 -20.109 1.00 24.44 C ATOM 373 C GLU A 26 6.576 20.683 -20.299 1.00 2.44 C ATOM 374 O GLU A 26 6.003 20.900 -21.366 1.00 33.24 O ATOM 375 CB GLU A 26 8.924 19.819 -20.286 1.00 20.13 C ATOM 376 CG GLU A 26 9.109 19.016 -19.009 1.00 74.21 C ATOM 377 CD GLU A 26 9.054 17.519 -19.248 1.00 43.43 C ATOM 378 OE1 GLU A 26 10.009 16.980 -19.846 1.00 73.25 O ATOM 379 OE2 GLU A 26 8.058 16.888 -18.838 1.00 1.20 O ATOM 0 H GLU A 26 8.741 21.044 -18.131 1.00 64.02 H new ATOM 0 HA GLU A 26 8.312 21.798 -20.863 1.00 24.44 H new ATOM 0 HB2 GLU A 26 8.484 19.177 -21.049 1.00 20.13 H new ATOM 0 HB3 GLU A 26 9.902 20.128 -20.655 1.00 20.13 H new ATOM 0 HG2 GLU A 26 10.067 19.273 -18.558 1.00 74.21 H new ATOM 0 HG3 GLU A 26 8.335 19.295 -18.294 1.00 74.21 H new ATOM 386 N ALA A 27 5.975 20.120 -19.255 1.00 45.15 N ATOM 387 CA ALA A 27 4.576 19.717 -19.306 1.00 73.11 C ATOM 388 C ALA A 27 3.658 20.930 -19.413 1.00 4.41 C ATOM 389 O ALA A 27 2.562 20.845 -19.964 1.00 51.33 O ATOM 390 CB ALA A 27 4.220 18.890 -18.079 1.00 51.23 C ATOM 0 H ALA A 27 6.436 19.933 -18.364 1.00 45.15 H new ATOM 0 HA ALA A 27 4.432 19.106 -20.197 1.00 73.11 H new ATOM 0 HB1 ALA A 27 3.172 18.596 -18.130 1.00 51.23 H new ATOM 0 HB2 ALA A 27 4.846 17.998 -18.047 1.00 51.23 H new ATOM 0 HB3 ALA A 27 4.387 19.483 -17.180 1.00 51.23 H new ATOM 396 N GLY A 28 4.115 22.060 -18.881 1.00 15.25 N ATOM 397 CA GLY A 28 3.322 23.275 -18.926 1.00 34.20 C ATOM 398 C GLY A 28 2.409 23.416 -17.724 1.00 55.43 C ATOM 399 O GLY A 28 1.325 23.993 -17.822 1.00 42.34 O ATOM 0 H GLY A 28 5.020 22.156 -18.420 1.00 15.25 H new ATOM 0 HA2 GLY A 28 3.987 24.137 -18.977 1.00 34.20 H new ATOM 0 HA3 GLY A 28 2.723 23.281 -19.836 1.00 34.20 H new ATOM 403 N LYS A 29 2.845 22.887 -16.586 1.00 52.42 N ATOM 404 CA LYS A 29 2.060 22.957 -15.359 1.00 72.54 C ATOM 405 C LYS A 29 2.862 23.606 -14.236 1.00 70.50 C ATOM 406 O LYS A 29 4.067 23.824 -14.366 1.00 15.01 O ATOM 407 CB LYS A 29 1.612 21.556 -14.937 1.00 35.41 C ATOM 408 CG LYS A 29 2.691 20.761 -14.223 1.00 3.12 C ATOM 409 CD LYS A 29 2.846 19.371 -14.817 1.00 41.32 C ATOM 410 CE LYS A 29 1.502 18.783 -15.217 1.00 54.10 C ATOM 411 NZ LYS A 29 1.402 17.339 -14.867 1.00 51.02 N ATOM 0 H LYS A 29 3.738 22.405 -16.488 1.00 52.42 H new ATOM 0 HA LYS A 29 1.180 23.570 -15.554 1.00 72.54 H new ATOM 0 HB2 LYS A 29 0.744 21.643 -14.283 1.00 35.41 H new ATOM 0 HB3 LYS A 29 1.291 21.005 -15.821 1.00 35.41 H new ATOM 0 HG2 LYS A 29 3.640 21.293 -14.289 1.00 3.12 H new ATOM 0 HG3 LYS A 29 2.444 20.680 -13.165 1.00 3.12 H new ATOM 0 HD2 LYS A 29 3.498 19.418 -15.689 1.00 41.32 H new ATOM 0 HD3 LYS A 29 3.330 18.716 -14.092 1.00 41.32 H new ATOM 0 HE2 LYS A 29 0.703 19.333 -14.721 1.00 54.10 H new ATOM 0 HE3 LYS A 29 1.356 18.908 -16.290 1.00 54.10 H new ATOM 0 HZ1 LYS A 29 0.471 16.975 -15.156 1.00 51.02 H new ATOM 0 HZ2 LYS A 29 2.149 16.810 -15.361 1.00 51.02 H new ATOM 0 HZ3 LYS A 29 1.516 17.222 -13.840 1.00 51.02 H new ATOM 425 N VAL A 30 2.187 23.910 -13.132 1.00 54.44 N ATOM 426 CA VAL A 30 2.837 24.532 -11.985 1.00 62.12 C ATOM 427 C VAL A 30 3.498 23.486 -11.095 1.00 31.33 C ATOM 428 O VAL A 30 3.166 22.302 -11.157 1.00 75.04 O ATOM 429 CB VAL A 30 1.836 25.346 -11.145 1.00 54.41 C ATOM 430 CG1 VAL A 30 1.896 24.925 -9.685 1.00 31.31 C ATOM 431 CG2 VAL A 30 2.107 26.836 -11.290 1.00 51.20 C ATOM 0 H VAL A 30 1.190 23.735 -13.008 1.00 54.44 H new ATOM 0 HA VAL A 30 3.599 25.204 -12.379 1.00 62.12 H new ATOM 0 HB VAL A 30 0.831 25.145 -11.515 1.00 54.41 H new ATOM 0 HG11 VAL A 30 1.181 25.512 -9.108 1.00 31.31 H new ATOM 0 HG12 VAL A 30 1.649 23.867 -9.601 1.00 31.31 H new ATOM 0 HG13 VAL A 30 2.901 25.095 -9.298 1.00 31.31 H new ATOM 0 HG21 VAL A 30 1.390 27.396 -10.690 1.00 51.20 H new ATOM 0 HG22 VAL A 30 3.118 27.057 -10.948 1.00 51.20 H new ATOM 0 HG23 VAL A 30 2.007 27.124 -12.337 1.00 51.20 H new ATOM 441 N VAL A 31 4.436 23.930 -10.265 1.00 1.35 N ATOM 442 CA VAL A 31 5.143 23.033 -9.359 1.00 24.21 C ATOM 443 C VAL A 31 4.778 23.317 -7.907 1.00 12.55 C ATOM 444 O VAL A 31 4.551 24.467 -7.527 1.00 32.31 O ATOM 445 CB VAL A 31 6.670 23.155 -9.526 1.00 54.11 C ATOM 446 CG1 VAL A 31 7.390 22.437 -8.395 1.00 61.34 C ATOM 447 CG2 VAL A 31 7.103 22.608 -10.878 1.00 34.11 C ATOM 0 H VAL A 31 4.724 24.906 -10.201 1.00 1.35 H new ATOM 0 HA VAL A 31 4.836 22.019 -9.616 1.00 24.21 H new ATOM 0 HB VAL A 31 6.940 24.210 -9.484 1.00 54.11 H new ATOM 0 HG11 VAL A 31 8.467 22.534 -8.530 1.00 61.34 H new ATOM 0 HG12 VAL A 31 7.102 22.880 -7.441 1.00 61.34 H new ATOM 0 HG13 VAL A 31 7.117 21.382 -8.402 1.00 61.34 H new ATOM 0 HG21 VAL A 31 8.184 22.702 -10.979 1.00 34.11 H new ATOM 0 HG22 VAL A 31 6.822 21.558 -10.953 1.00 34.11 H new ATOM 0 HG23 VAL A 31 6.614 23.172 -11.672 1.00 34.11 H new ATOM 457 N ILE A 32 4.723 22.264 -7.099 1.00 2.04 N ATOM 458 CA ILE A 32 4.387 22.401 -5.687 1.00 52.20 C ATOM 459 C ILE A 32 5.217 21.453 -4.829 1.00 65.33 C ATOM 460 O ILE A 32 4.900 20.269 -4.709 1.00 52.13 O ATOM 461 CB ILE A 32 2.892 22.127 -5.435 1.00 43.33 C ATOM 462 CG1 ILE A 32 2.031 22.969 -6.379 1.00 41.10 C ATOM 463 CG2 ILE A 32 2.538 22.418 -3.985 1.00 14.03 C ATOM 464 CD1 ILE A 32 1.482 22.189 -7.553 1.00 51.31 C ATOM 0 H ILE A 32 4.907 21.306 -7.398 1.00 2.04 H new ATOM 0 HA ILE A 32 4.612 23.430 -5.408 1.00 52.20 H new ATOM 0 HB ILE A 32 2.692 21.074 -5.633 1.00 43.33 H new ATOM 0 HG12 ILE A 32 1.201 23.396 -5.817 1.00 41.10 H new ATOM 0 HG13 ILE A 32 2.625 23.803 -6.753 1.00 41.10 H new ATOM 0 HG21 ILE A 32 1.479 22.220 -3.822 1.00 14.03 H new ATOM 0 HG22 ILE A 32 3.131 21.780 -3.330 1.00 14.03 H new ATOM 0 HG23 ILE A 32 2.750 23.464 -3.761 1.00 14.03 H new ATOM 0 HD11 ILE A 32 0.882 22.849 -8.179 1.00 51.31 H new ATOM 0 HD12 ILE A 32 2.307 21.784 -8.139 1.00 51.31 H new ATOM 0 HD13 ILE A 32 0.861 21.371 -7.188 1.00 51.31 H new ATOM 476 N ILE A 33 6.281 21.981 -4.233 1.00 62.25 N ATOM 477 CA ILE A 33 7.156 21.182 -3.384 1.00 73.21 C ATOM 478 C ILE A 33 6.846 21.409 -1.908 1.00 44.13 C ATOM 479 O ILE A 33 6.790 22.548 -1.444 1.00 21.25 O ATOM 480 CB ILE A 33 8.639 21.505 -3.642 1.00 24.13 C ATOM 481 CG1 ILE A 33 8.867 21.815 -5.123 1.00 14.54 C ATOM 482 CG2 ILE A 33 9.519 20.346 -3.197 1.00 72.20 C ATOM 483 CD1 ILE A 33 9.243 23.256 -5.387 1.00 3.41 C ATOM 0 H ILE A 33 6.558 22.959 -4.322 1.00 62.25 H new ATOM 0 HA ILE A 33 6.972 20.137 -3.635 1.00 73.21 H new ATOM 0 HB ILE A 33 8.909 22.386 -3.060 1.00 24.13 H new ATOM 0 HG12 ILE A 33 9.656 21.166 -5.505 1.00 14.54 H new ATOM 0 HG13 ILE A 33 7.961 21.576 -5.680 1.00 14.54 H new ATOM 0 HG21 ILE A 33 10.565 20.590 -3.386 1.00 72.20 H new ATOM 0 HG22 ILE A 33 9.375 20.168 -2.131 1.00 72.20 H new ATOM 0 HG23 ILE A 33 9.249 19.449 -3.755 1.00 72.20 H new ATOM 0 HD11 ILE A 33 9.389 23.404 -6.457 1.00 3.41 H new ATOM 0 HD12 ILE A 33 8.445 23.910 -5.036 1.00 3.41 H new ATOM 0 HD13 ILE A 33 10.166 23.494 -4.858 1.00 3.41 H new ATOM 495 N ASP A 34 6.648 20.318 -1.176 1.00 44.44 N ATOM 496 CA ASP A 34 6.348 20.398 0.248 1.00 34.14 C ATOM 497 C ASP A 34 7.569 20.026 1.083 1.00 21.12 C ATOM 498 O ASP A 34 7.792 18.854 1.389 1.00 54.21 O ATOM 499 CB ASP A 34 5.177 19.477 0.596 1.00 11.24 C ATOM 500 CG ASP A 34 5.179 19.064 2.055 1.00 1.00 C ATOM 501 OD1 ASP A 34 4.581 19.789 2.877 1.00 31.54 O ATOM 502 OD2 ASP A 34 5.780 18.017 2.374 1.00 31.54 O ATOM 0 H ASP A 34 6.690 19.368 -1.546 1.00 44.44 H new ATOM 0 HA ASP A 34 6.073 21.427 0.479 1.00 34.14 H new ATOM 0 HB2 ASP A 34 4.240 19.983 0.366 1.00 11.24 H new ATOM 0 HB3 ASP A 34 5.220 18.586 -0.031 1.00 11.24 H new ATOM 507 N PHE A 35 8.358 21.031 1.448 1.00 64.20 N ATOM 508 CA PHE A 35 9.559 20.809 2.246 1.00 51.23 C ATOM 509 C PHE A 35 9.204 20.236 3.615 1.00 41.32 C ATOM 510 O PHE A 35 8.084 19.775 3.837 1.00 11.31 O ATOM 511 CB PHE A 35 10.334 22.118 2.413 1.00 23.51 C ATOM 512 CG PHE A 35 11.165 22.480 1.215 1.00 30.43 C ATOM 513 CD1 PHE A 35 12.272 21.722 0.869 1.00 60.13 C ATOM 514 CD2 PHE A 35 10.839 23.578 0.436 1.00 30.01 C ATOM 515 CE1 PHE A 35 13.038 22.052 -0.233 1.00 44.12 C ATOM 516 CE2 PHE A 35 11.601 23.913 -0.667 1.00 62.31 C ATOM 517 CZ PHE A 35 12.703 23.150 -1.001 1.00 70.35 C ATOM 0 H PHE A 35 8.188 22.007 1.204 1.00 64.20 H new ATOM 0 HA PHE A 35 10.186 20.088 1.722 1.00 51.23 H new ATOM 0 HB2 PHE A 35 9.629 22.925 2.614 1.00 23.51 H new ATOM 0 HB3 PHE A 35 10.983 22.038 3.285 1.00 23.51 H new ATOM 0 HD1 PHE A 35 12.539 20.864 1.467 1.00 60.13 H new ATOM 0 HD2 PHE A 35 9.980 24.179 0.694 1.00 30.01 H new ATOM 0 HE1 PHE A 35 13.897 21.452 -0.493 1.00 44.12 H new ATOM 0 HE2 PHE A 35 11.335 24.771 -1.267 1.00 62.31 H new ATOM 0 HZ PHE A 35 13.302 23.412 -1.861 1.00 70.35 H new ATOM 527 N THR A 36 10.167 20.268 4.531 1.00 41.23 N ATOM 528 CA THR A 36 9.959 19.751 5.877 1.00 14.33 C ATOM 529 C THR A 36 11.286 19.441 6.559 1.00 43.11 C ATOM 530 O THR A 36 12.077 18.639 6.063 1.00 41.33 O ATOM 531 CB THR A 36 9.092 18.478 5.862 1.00 23.23 C ATOM 532 OG1 THR A 36 9.235 17.774 7.101 1.00 35.12 O ATOM 533 CG2 THR A 36 9.487 17.568 4.708 1.00 11.54 C ATOM 0 H THR A 36 11.099 20.647 4.364 1.00 41.23 H new ATOM 0 HA THR A 36 9.440 20.529 6.437 1.00 14.33 H new ATOM 0 HB THR A 36 8.051 18.775 5.731 1.00 23.23 H new ATOM 0 HG1 THR A 36 8.680 16.967 7.085 1.00 35.12 H new ATOM 0 HG21 THR A 36 8.861 16.676 4.718 1.00 11.54 H new ATOM 0 HG22 THR A 36 9.350 18.097 3.765 1.00 11.54 H new ATOM 0 HG23 THR A 36 10.533 17.279 4.814 1.00 11.54 H new ATOM 629 N ARG A 44 0.039 14.409 9.560 1.00 15.12 N ATOM 630 CA ARG A 44 -0.912 13.308 9.464 1.00 24.51 C ATOM 631 C ARG A 44 -2.330 13.830 9.257 1.00 73.32 C ATOM 632 O ARG A 44 -3.132 13.217 8.552 1.00 61.45 O ATOM 633 CB ARG A 44 -0.854 12.445 10.726 1.00 63.51 C ATOM 634 CG ARG A 44 0.328 11.489 10.757 1.00 40.23 C ATOM 635 CD ARG A 44 0.039 10.220 9.970 1.00 44.54 C ATOM 636 NE ARG A 44 0.340 9.017 10.741 1.00 40.40 N ATOM 637 CZ ARG A 44 0.566 7.829 10.191 1.00 13.34 C ATOM 638 NH1 ARG A 44 0.525 7.686 8.874 1.00 45.21 N ATOM 639 NH2 ARG A 44 0.833 6.781 10.960 1.00 11.32 N ATOM 0 HA ARG A 44 -0.639 12.699 8.602 1.00 24.51 H new ATOM 0 HB2 ARG A 44 -0.807 13.096 11.599 1.00 63.51 H new ATOM 0 HB3 ARG A 44 -1.777 11.871 10.806 1.00 63.51 H new ATOM 0 HG2 ARG A 44 1.207 11.983 10.343 1.00 40.23 H new ATOM 0 HG3 ARG A 44 0.563 11.232 11.790 1.00 40.23 H new ATOM 0 HD2 ARG A 44 -1.010 10.208 9.674 1.00 44.54 H new ATOM 0 HD3 ARG A 44 0.629 10.220 9.053 1.00 44.54 H new ATOM 0 HE ARG A 44 0.379 9.093 11.757 1.00 40.40 H new ATOM 0 HH11 ARG A 44 0.320 8.489 8.280 1.00 45.21 H new ATOM 0 HH12 ARG A 44 0.699 6.773 8.455 1.00 45.21 H new ATOM 0 HH21 ARG A 44 0.865 6.887 11.974 1.00 11.32 H new ATOM 0 HH22 ARG A 44 1.006 5.869 10.537 1.00 11.32 H new ATOM 653 N PHE A 45 -2.634 14.966 9.876 1.00 24.44 N ATOM 654 CA PHE A 45 -3.956 15.570 9.761 1.00 22.32 C ATOM 655 C PHE A 45 -4.227 16.015 8.327 1.00 34.22 C ATOM 656 O PHE A 45 -5.300 15.758 7.779 1.00 23.10 O ATOM 657 CB PHE A 45 -4.078 16.764 10.710 1.00 55.13 C ATOM 658 CG PHE A 45 -5.305 17.597 10.469 1.00 2.21 C ATOM 659 CD1 PHE A 45 -6.569 17.072 10.684 1.00 63.45 C ATOM 660 CD2 PHE A 45 -5.194 18.906 10.028 1.00 44.01 C ATOM 661 CE1 PHE A 45 -7.699 17.836 10.463 1.00 33.34 C ATOM 662 CE2 PHE A 45 -6.321 19.675 9.807 1.00 65.15 C ATOM 663 CZ PHE A 45 -7.575 19.139 10.023 1.00 21.23 C ATOM 0 H PHE A 45 -1.982 15.487 10.463 1.00 24.44 H new ATOM 0 HA PHE A 45 -4.697 14.819 10.036 1.00 22.32 H new ATOM 0 HB2 PHE A 45 -4.091 16.401 11.738 1.00 55.13 H new ATOM 0 HB3 PHE A 45 -3.194 17.394 10.605 1.00 55.13 H new ATOM 0 HD1 PHE A 45 -6.672 16.054 11.028 1.00 63.45 H new ATOM 0 HD2 PHE A 45 -4.216 19.330 9.855 1.00 44.01 H new ATOM 0 HE1 PHE A 45 -8.678 17.414 10.634 1.00 33.34 H new ATOM 0 HE2 PHE A 45 -6.221 20.695 9.466 1.00 65.15 H new ATOM 0 HZ PHE A 45 -8.457 19.737 9.848 1.00 21.23 H new ATOM 673 N ILE A 46 -3.249 16.683 7.726 1.00 10.53 N ATOM 674 CA ILE A 46 -3.382 17.164 6.357 1.00 62.14 C ATOM 675 C ILE A 46 -2.728 16.201 5.371 1.00 53.43 C ATOM 676 O ILE A 46 -2.637 16.487 4.177 1.00 25.12 O ATOM 677 CB ILE A 46 -2.754 18.560 6.186 1.00 13.03 C ATOM 678 CG1 ILE A 46 -3.438 19.315 5.045 1.00 72.35 C ATOM 679 CG2 ILE A 46 -1.259 18.441 5.929 1.00 15.14 C ATOM 680 CD1 ILE A 46 -3.348 20.819 5.175 1.00 2.00 C ATOM 0 H ILE A 46 -2.355 16.904 8.166 1.00 10.53 H new ATOM 0 HA ILE A 46 -4.450 17.227 6.147 1.00 62.14 H new ATOM 0 HB ILE A 46 -2.900 19.123 7.108 1.00 13.03 H new ATOM 0 HG12 ILE A 46 -2.988 19.013 4.099 1.00 72.35 H new ATOM 0 HG13 ILE A 46 -4.488 19.024 5.006 1.00 72.35 H new ATOM 0 HG21 ILE A 46 -0.830 19.436 5.810 1.00 15.14 H new ATOM 0 HG22 ILE A 46 -0.784 17.939 6.772 1.00 15.14 H new ATOM 0 HG23 ILE A 46 -1.091 17.863 5.020 1.00 15.14 H new ATOM 0 HD11 ILE A 46 -3.854 21.288 4.331 1.00 2.00 H new ATOM 0 HD12 ILE A 46 -3.824 21.133 6.104 1.00 2.00 H new ATOM 0 HD13 ILE A 46 -2.301 21.121 5.183 1.00 2.00 H new ATOM 692 N ALA A 47 -2.277 15.059 5.878 1.00 0.12 N ATOM 693 CA ALA A 47 -1.636 14.052 5.042 1.00 45.20 C ATOM 694 C ALA A 47 -2.526 13.667 3.866 1.00 52.03 C ATOM 695 O ALA A 47 -2.126 13.739 2.703 1.00 14.24 O ATOM 696 CB ALA A 47 -1.288 12.823 5.868 1.00 35.25 C ATOM 0 H ALA A 47 -2.344 14.808 6.864 1.00 0.12 H new ATOM 0 HA ALA A 47 -0.716 14.480 4.643 1.00 45.20 H new ATOM 0 HB1 ALA A 47 -0.810 12.079 5.230 1.00 35.25 H new ATOM 0 HB2 ALA A 47 -0.606 13.105 6.670 1.00 35.25 H new ATOM 0 HB3 ALA A 47 -2.198 12.403 6.296 1.00 35.25 H new ATOM 702 N PRO A 48 -3.763 13.247 4.171 1.00 2.04 N ATOM 703 CA PRO A 48 -4.736 12.842 3.152 1.00 23.15 C ATOM 704 C PRO A 48 -5.235 14.022 2.326 1.00 70.01 C ATOM 705 O PRO A 48 -6.037 13.854 1.407 1.00 11.32 O ATOM 706 CB PRO A 48 -5.880 12.242 3.973 1.00 21.33 C ATOM 707 CG PRO A 48 -5.774 12.897 5.307 1.00 44.10 C ATOM 708 CD PRO A 48 -4.307 13.136 5.535 1.00 23.13 C ATOM 0 HA PRO A 48 -4.304 12.151 2.428 1.00 23.15 H new ATOM 0 HB2 PRO A 48 -6.846 12.441 3.510 1.00 21.33 H new ATOM 0 HB3 PRO A 48 -5.783 11.159 4.055 1.00 21.33 H new ATOM 0 HG2 PRO A 48 -6.330 13.834 5.327 1.00 44.10 H new ATOM 0 HG3 PRO A 48 -6.192 12.262 6.088 1.00 44.10 H new ATOM 0 HD2 PRO A 48 -4.133 14.044 6.112 1.00 23.13 H new ATOM 0 HD3 PRO A 48 -3.847 12.315 6.085 1.00 23.13 H new ATOM 716 N VAL A 49 -4.755 15.216 2.658 1.00 52.41 N ATOM 717 CA VAL A 49 -5.152 16.425 1.945 1.00 22.30 C ATOM 718 C VAL A 49 -4.173 16.746 0.822 1.00 43.35 C ATOM 719 O VAL A 49 -4.577 17.100 -0.286 1.00 42.33 O ATOM 720 CB VAL A 49 -5.241 17.634 2.895 1.00 24.54 C ATOM 721 CG1 VAL A 49 -5.037 18.932 2.129 1.00 35.40 C ATOM 722 CG2 VAL A 49 -6.575 17.639 3.626 1.00 2.41 C ATOM 0 H VAL A 49 -4.091 15.372 3.416 1.00 52.41 H new ATOM 0 HA VAL A 49 -6.138 16.233 1.521 1.00 22.30 H new ATOM 0 HB VAL A 49 -4.447 17.551 3.637 1.00 24.54 H new ATOM 0 HG11 VAL A 49 -5.103 19.775 2.817 1.00 35.40 H new ATOM 0 HG12 VAL A 49 -4.055 18.925 1.657 1.00 35.40 H new ATOM 0 HG13 VAL A 49 -5.807 19.027 1.363 1.00 35.40 H new ATOM 0 HG21 VAL A 49 -6.621 18.500 4.293 1.00 2.41 H new ATOM 0 HG22 VAL A 49 -7.387 17.698 2.901 1.00 2.41 H new ATOM 0 HG23 VAL A 49 -6.674 16.723 4.208 1.00 2.41 H new ATOM 732 N PHE A 50 -2.883 16.620 1.114 1.00 4.43 N ATOM 733 CA PHE A 50 -1.844 16.898 0.129 1.00 53.13 C ATOM 734 C PHE A 50 -1.879 15.873 -1.001 1.00 40.22 C ATOM 735 O PHE A 50 -2.247 16.192 -2.131 1.00 61.14 O ATOM 736 CB PHE A 50 -0.466 16.895 0.794 1.00 73.54 C ATOM 737 CG PHE A 50 -0.316 17.934 1.868 1.00 72.42 C ATOM 738 CD1 PHE A 50 -1.262 18.935 2.018 1.00 44.30 C ATOM 739 CD2 PHE A 50 0.771 17.909 2.727 1.00 75.11 C ATOM 740 CE1 PHE A 50 -1.127 19.893 3.006 1.00 62.13 C ATOM 741 CE2 PHE A 50 0.910 18.863 3.717 1.00 44.34 C ATOM 742 CZ PHE A 50 -0.039 19.857 3.855 1.00 4.34 C ATOM 0 H PHE A 50 -2.532 16.327 2.026 1.00 4.43 H new ATOM 0 HA PHE A 50 -2.033 17.885 -0.293 1.00 53.13 H new ATOM 0 HB2 PHE A 50 -0.281 15.911 1.224 1.00 73.54 H new ATOM 0 HB3 PHE A 50 0.296 17.059 0.032 1.00 73.54 H new ATOM 0 HD1 PHE A 50 -2.115 18.967 1.356 1.00 44.30 H new ATOM 0 HD2 PHE A 50 1.518 17.136 2.622 1.00 75.11 H new ATOM 0 HE1 PHE A 50 -1.871 20.668 3.113 1.00 62.13 H new ATOM 0 HE2 PHE A 50 1.760 18.831 4.382 1.00 44.34 H new ATOM 0 HZ PHE A 50 0.070 20.605 4.626 1.00 4.34 H new ATOM 752 N ALA A 51 -1.492 14.641 -0.687 1.00 14.34 N ATOM 753 CA ALA A 51 -1.480 13.569 -1.674 1.00 32.12 C ATOM 754 C ALA A 51 -2.766 13.563 -2.494 1.00 21.13 C ATOM 755 O ALA A 51 -2.729 13.498 -3.722 1.00 3.11 O ATOM 756 CB ALA A 51 -1.282 12.224 -0.990 1.00 3.30 C ATOM 0 H ALA A 51 -1.183 14.361 0.244 1.00 14.34 H new ATOM 0 HA ALA A 51 -0.647 13.745 -2.354 1.00 32.12 H new ATOM 0 HB1 ALA A 51 -1.275 11.432 -1.739 1.00 3.30 H new ATOM 0 HB2 ALA A 51 -0.333 12.225 -0.454 1.00 3.30 H new ATOM 0 HB3 ALA A 51 -2.096 12.050 -0.286 1.00 3.30 H new ATOM 762 N GLU A 52 -3.901 13.630 -1.806 1.00 15.23 N ATOM 763 CA GLU A 52 -5.199 13.631 -2.472 1.00 24.21 C ATOM 764 C GLU A 52 -5.335 14.838 -3.395 1.00 73.14 C ATOM 765 O GLU A 52 -5.949 14.753 -4.460 1.00 23.34 O ATOM 766 CB GLU A 52 -6.327 13.635 -1.439 1.00 34.31 C ATOM 767 CG GLU A 52 -6.643 15.015 -0.888 1.00 31.14 C ATOM 768 CD GLU A 52 -7.957 15.054 -0.131 1.00 43.41 C ATOM 769 OE1 GLU A 52 -8.268 14.069 0.570 1.00 1.43 O ATOM 770 OE2 GLU A 52 -8.673 16.071 -0.241 1.00 14.42 O ATOM 0 H GLU A 52 -3.949 13.684 -0.789 1.00 15.23 H new ATOM 0 HA GLU A 52 -5.271 12.725 -3.074 1.00 24.21 H new ATOM 0 HB2 GLU A 52 -7.226 13.220 -1.894 1.00 34.31 H new ATOM 0 HB3 GLU A 52 -6.055 12.977 -0.614 1.00 34.31 H new ATOM 0 HG2 GLU A 52 -5.837 15.331 -0.226 1.00 31.14 H new ATOM 0 HG3 GLU A 52 -6.680 15.730 -1.709 1.00 31.14 H new ATOM 777 N TYR A 53 -4.760 15.961 -2.980 1.00 72.12 N ATOM 778 CA TYR A 53 -4.820 17.187 -3.768 1.00 22.44 C ATOM 779 C TYR A 53 -3.980 17.061 -5.035 1.00 3.40 C ATOM 780 O TYR A 53 -4.415 17.442 -6.121 1.00 64.04 O ATOM 781 CB TYR A 53 -4.335 18.376 -2.936 1.00 71.35 C ATOM 782 CG TYR A 53 -5.378 18.914 -1.984 1.00 34.25 C ATOM 783 CD1 TYR A 53 -6.630 18.319 -1.885 1.00 12.25 C ATOM 784 CD2 TYR A 53 -5.112 20.017 -1.181 1.00 63.52 C ATOM 785 CE1 TYR A 53 -7.586 18.808 -1.016 1.00 15.22 C ATOM 786 CE2 TYR A 53 -6.061 20.511 -0.308 1.00 55.45 C ATOM 787 CZ TYR A 53 -7.297 19.904 -0.230 1.00 14.12 C ATOM 788 OH TYR A 53 -8.247 20.393 0.638 1.00 42.31 O ATOM 0 H TYR A 53 -4.247 16.048 -2.103 1.00 72.12 H new ATOM 0 HA TYR A 53 -5.858 17.354 -4.057 1.00 22.44 H new ATOM 0 HB2 TYR A 53 -3.456 18.075 -2.366 1.00 71.35 H new ATOM 0 HB3 TYR A 53 -4.022 19.175 -3.608 1.00 71.35 H new ATOM 0 HD1 TYR A 53 -6.859 17.460 -2.498 1.00 12.25 H new ATOM 0 HD2 TYR A 53 -4.146 20.496 -1.241 1.00 63.52 H new ATOM 0 HE1 TYR A 53 -8.555 18.335 -0.952 1.00 15.22 H new ATOM 0 HE2 TYR A 53 -5.837 21.368 0.310 1.00 55.45 H new ATOM 0 HH TYR A 53 -7.884 21.166 1.118 1.00 42.31 H new ATOM 798 N ALA A 54 -2.773 16.524 -4.886 1.00 52.25 N ATOM 799 CA ALA A 54 -1.872 16.346 -6.018 1.00 71.51 C ATOM 800 C ALA A 54 -2.622 15.828 -7.241 1.00 12.41 C ATOM 801 O ALA A 54 -2.426 16.316 -8.355 1.00 33.44 O ATOM 802 CB ALA A 54 -0.743 15.395 -5.649 1.00 3.35 C ATOM 0 H ALA A 54 -2.397 16.205 -3.993 1.00 52.25 H new ATOM 0 HA ALA A 54 -1.448 17.318 -6.269 1.00 71.51 H new ATOM 0 HB1 ALA A 54 -0.078 15.271 -6.503 1.00 3.35 H new ATOM 0 HB2 ALA A 54 -0.182 15.805 -4.809 1.00 3.35 H new ATOM 0 HB3 ALA A 54 -1.159 14.427 -5.370 1.00 3.35 H new ATOM 808 N LYS A 55 -3.482 14.838 -7.027 1.00 24.12 N ATOM 809 CA LYS A 55 -4.262 14.254 -8.111 1.00 54.00 C ATOM 810 C LYS A 55 -5.424 15.164 -8.496 1.00 51.44 C ATOM 811 O LYS A 55 -5.718 15.347 -9.678 1.00 71.30 O ATOM 812 CB LYS A 55 -4.793 12.878 -7.701 1.00 41.24 C ATOM 813 CG LYS A 55 -3.734 11.975 -7.093 1.00 35.32 C ATOM 814 CD LYS A 55 -4.359 10.859 -6.272 1.00 2.15 C ATOM 815 CE LYS A 55 -5.275 9.989 -7.119 1.00 3.04 C ATOM 816 NZ LYS A 55 -4.529 8.889 -7.791 1.00 11.20 N ATOM 0 H LYS A 55 -3.656 14.423 -6.112 1.00 24.12 H new ATOM 0 HA LYS A 55 -3.608 14.142 -8.976 1.00 54.00 H new ATOM 0 HB2 LYS A 55 -5.603 13.009 -6.983 1.00 41.24 H new ATOM 0 HB3 LYS A 55 -5.219 12.387 -8.576 1.00 41.24 H new ATOM 0 HG2 LYS A 55 -3.121 11.546 -7.886 1.00 35.32 H new ATOM 0 HG3 LYS A 55 -3.070 12.565 -6.461 1.00 35.32 H new ATOM 0 HD2 LYS A 55 -3.573 10.243 -5.835 1.00 2.15 H new ATOM 0 HD3 LYS A 55 -4.925 11.288 -5.445 1.00 2.15 H new ATOM 0 HE2 LYS A 55 -6.058 9.566 -6.490 1.00 3.04 H new ATOM 0 HE3 LYS A 55 -5.769 10.605 -7.870 1.00 3.04 H new ATOM 0 HZ1 LYS A 55 -5.188 8.319 -8.358 1.00 11.20 H new ATOM 0 HZ2 LYS A 55 -3.798 9.293 -8.411 1.00 11.20 H new ATOM 0 HZ3 LYS A 55 -4.079 8.286 -7.073 1.00 11.20 H new ATOM 830 N LYS A 56 -6.081 15.735 -7.492 1.00 41.13 N ATOM 831 CA LYS A 56 -7.209 16.629 -7.725 1.00 42.22 C ATOM 832 C LYS A 56 -6.802 17.796 -8.619 1.00 54.40 C ATOM 833 O LYS A 56 -7.641 18.398 -9.291 1.00 65.11 O ATOM 834 CB LYS A 56 -7.751 17.156 -6.395 1.00 13.51 C ATOM 835 CG LYS A 56 -8.446 16.096 -5.558 1.00 51.22 C ATOM 836 CD LYS A 56 -9.821 16.557 -5.104 1.00 72.54 C ATOM 837 CE LYS A 56 -9.739 17.840 -4.292 1.00 33.55 C ATOM 838 NZ LYS A 56 -11.083 18.296 -3.839 1.00 44.44 N ATOM 0 H LYS A 56 -5.851 15.594 -6.508 1.00 41.13 H new ATOM 0 HA LYS A 56 -7.992 16.063 -8.230 1.00 42.22 H new ATOM 0 HB2 LYS A 56 -6.928 17.580 -5.819 1.00 13.51 H new ATOM 0 HB3 LYS A 56 -8.452 17.967 -6.594 1.00 13.51 H new ATOM 0 HG2 LYS A 56 -8.542 15.178 -6.138 1.00 51.22 H new ATOM 0 HG3 LYS A 56 -7.834 15.860 -4.687 1.00 51.22 H new ATOM 0 HD2 LYS A 56 -10.458 16.716 -5.974 1.00 72.54 H new ATOM 0 HD3 LYS A 56 -10.288 15.775 -4.505 1.00 72.54 H new ATOM 0 HE2 LYS A 56 -9.098 17.681 -3.425 1.00 33.55 H new ATOM 0 HE3 LYS A 56 -9.274 18.621 -4.893 1.00 33.55 H new ATOM 0 HZ1 LYS A 56 -10.985 19.173 -3.289 1.00 44.44 H new ATOM 0 HZ2 LYS A 56 -11.687 18.472 -4.667 1.00 44.44 H new ATOM 0 HZ3 LYS A 56 -11.517 17.561 -3.244 1.00 44.44 H new ATOM 852 N PHE A 57 -5.511 18.111 -8.623 1.00 72.12 N ATOM 853 CA PHE A 57 -4.994 19.206 -9.435 1.00 43.03 C ATOM 854 C PHE A 57 -4.009 18.690 -10.480 1.00 70.14 C ATOM 855 O PHE A 57 -2.802 18.619 -10.251 1.00 25.12 O ATOM 856 CB PHE A 57 -4.312 20.250 -8.548 1.00 34.54 C ATOM 857 CG PHE A 57 -5.258 21.281 -8.002 1.00 5.51 C ATOM 858 CD1 PHE A 57 -5.542 22.430 -8.723 1.00 71.31 C ATOM 859 CD2 PHE A 57 -5.861 21.103 -6.767 1.00 41.44 C ATOM 860 CE1 PHE A 57 -6.412 23.381 -8.224 1.00 42.20 C ATOM 861 CE2 PHE A 57 -6.732 22.051 -6.263 1.00 44.14 C ATOM 862 CZ PHE A 57 -7.006 23.192 -6.992 1.00 74.10 C ATOM 0 H PHE A 57 -4.804 17.623 -8.073 1.00 72.12 H new ATOM 0 HA PHE A 57 -5.835 19.670 -9.951 1.00 43.03 H new ATOM 0 HB2 PHE A 57 -3.820 19.744 -7.718 1.00 34.54 H new ATOM 0 HB3 PHE A 57 -3.533 20.751 -9.123 1.00 34.54 H new ATOM 0 HD1 PHE A 57 -5.078 22.584 -9.686 1.00 71.31 H new ATOM 0 HD2 PHE A 57 -5.648 20.214 -6.192 1.00 41.44 H new ATOM 0 HE1 PHE A 57 -6.627 24.271 -8.797 1.00 42.20 H new ATOM 0 HE2 PHE A 57 -7.198 21.900 -5.300 1.00 44.14 H new ATOM 0 HZ PHE A 57 -7.684 23.935 -6.599 1.00 74.10 H new ATOM 872 N PRO A 58 -4.536 18.320 -11.657 1.00 42.12 N ATOM 873 CA PRO A 58 -3.722 17.804 -12.762 1.00 22.14 C ATOM 874 C PRO A 58 -2.839 18.881 -13.384 1.00 34.51 C ATOM 875 O PRO A 58 -1.953 18.585 -14.184 1.00 72.42 O ATOM 876 CB PRO A 58 -4.763 17.316 -13.772 1.00 12.20 C ATOM 877 CG PRO A 58 -5.980 18.126 -13.483 1.00 22.33 C ATOM 878 CD PRO A 58 -5.967 18.378 -12.000 1.00 63.23 C ATOM 0 HA PRO A 58 -3.032 17.027 -12.432 1.00 22.14 H new ATOM 0 HB2 PRO A 58 -4.422 17.466 -14.796 1.00 12.20 H new ATOM 0 HB3 PRO A 58 -4.960 16.250 -13.654 1.00 12.20 H new ATOM 0 HG2 PRO A 58 -5.966 19.064 -14.038 1.00 22.33 H new ATOM 0 HG3 PRO A 58 -6.883 17.593 -13.780 1.00 22.33 H new ATOM 0 HD2 PRO A 58 -6.400 19.347 -11.753 1.00 63.23 H new ATOM 0 HD3 PRO A 58 -6.541 17.625 -11.459 1.00 63.23 H new ATOM 886 N GLY A 59 -3.088 20.132 -13.010 1.00 2.20 N ATOM 887 CA GLY A 59 -2.307 21.234 -13.541 1.00 62.12 C ATOM 888 C GLY A 59 -1.039 21.482 -12.748 1.00 32.33 C ATOM 889 O GLY A 59 -0.478 22.576 -12.788 1.00 65.12 O ATOM 0 H GLY A 59 -3.816 20.402 -12.349 1.00 2.20 H new ATOM 0 HA2 GLY A 59 -2.048 21.024 -14.579 1.00 62.12 H new ATOM 0 HA3 GLY A 59 -2.915 22.139 -13.541 1.00 62.12 H new ATOM 893 N ALA A 60 -0.588 20.463 -12.023 1.00 14.35 N ATOM 894 CA ALA A 60 0.621 20.576 -11.216 1.00 72.34 C ATOM 895 C ALA A 60 1.325 19.229 -11.093 1.00 23.04 C ATOM 896 O ALA A 60 0.763 18.189 -11.436 1.00 31.15 O ATOM 897 CB ALA A 60 0.287 21.128 -9.838 1.00 71.43 C ATOM 0 H ALA A 60 -1.042 19.550 -11.978 1.00 14.35 H new ATOM 0 HA ALA A 60 1.299 21.267 -11.716 1.00 72.34 H new ATOM 0 HB1 ALA A 60 1.199 21.207 -9.247 1.00 71.43 H new ATOM 0 HB2 ALA A 60 -0.165 22.114 -9.941 1.00 71.43 H new ATOM 0 HB3 ALA A 60 -0.413 20.459 -9.338 1.00 71.43 H new ATOM 903 N VAL A 61 2.560 19.255 -10.601 1.00 41.20 N ATOM 904 CA VAL A 61 3.342 18.036 -10.432 1.00 35.03 C ATOM 905 C VAL A 61 3.313 17.561 -8.983 1.00 53.52 C ATOM 906 O VAL A 61 3.284 16.361 -8.712 1.00 73.24 O ATOM 907 CB VAL A 61 4.805 18.243 -10.863 1.00 44.15 C ATOM 908 CG1 VAL A 61 4.912 18.301 -12.380 1.00 20.03 C ATOM 909 CG2 VAL A 61 5.373 19.505 -10.232 1.00 41.53 C ATOM 0 H VAL A 61 3.040 20.107 -10.312 1.00 41.20 H new ATOM 0 HA VAL A 61 2.887 17.278 -11.070 1.00 35.03 H new ATOM 0 HB VAL A 61 5.392 17.394 -10.513 1.00 44.15 H new ATOM 0 HG11 VAL A 61 5.954 18.448 -12.666 1.00 20.03 H new ATOM 0 HG12 VAL A 61 4.547 17.367 -12.806 1.00 20.03 H new ATOM 0 HG13 VAL A 61 4.312 19.130 -12.756 1.00 20.03 H new ATOM 0 HG21 VAL A 61 6.408 19.635 -10.548 1.00 41.53 H new ATOM 0 HG22 VAL A 61 4.785 20.367 -10.549 1.00 41.53 H new ATOM 0 HG23 VAL A 61 5.333 19.419 -9.146 1.00 41.53 H new ATOM 919 N PHE A 62 3.320 18.512 -8.055 1.00 2.13 N ATOM 920 CA PHE A 62 3.295 18.192 -6.632 1.00 63.32 C ATOM 921 C PHE A 62 4.476 17.302 -6.254 1.00 70.04 C ATOM 922 O PHE A 62 5.002 16.562 -7.087 1.00 32.21 O ATOM 923 CB PHE A 62 1.982 17.498 -6.267 1.00 74.51 C ATOM 924 CG PHE A 62 0.777 18.385 -6.401 1.00 3.14 C ATOM 925 CD1 PHE A 62 0.142 18.534 -7.623 1.00 61.20 C ATOM 926 CD2 PHE A 62 0.280 19.070 -5.304 1.00 1.22 C ATOM 927 CE1 PHE A 62 -0.966 19.351 -7.749 1.00 22.54 C ATOM 928 CE2 PHE A 62 -0.828 19.888 -5.423 1.00 43.12 C ATOM 929 CZ PHE A 62 -1.452 20.028 -6.647 1.00 70.52 C ATOM 0 H PHE A 62 3.343 19.510 -8.262 1.00 2.13 H new ATOM 0 HA PHE A 62 3.372 19.125 -6.074 1.00 63.32 H new ATOM 0 HB2 PHE A 62 1.853 16.624 -6.905 1.00 74.51 H new ATOM 0 HB3 PHE A 62 2.045 17.136 -5.241 1.00 74.51 H new ATOM 0 HD1 PHE A 62 0.517 18.006 -8.487 1.00 61.20 H new ATOM 0 HD2 PHE A 62 0.764 18.964 -4.344 1.00 1.22 H new ATOM 0 HE1 PHE A 62 -1.451 19.460 -8.708 1.00 22.54 H new ATOM 0 HE2 PHE A 62 -1.205 20.417 -4.560 1.00 43.12 H new ATOM 0 HZ PHE A 62 -2.318 20.666 -6.743 1.00 70.52 H new ATOM 939 N LEU A 63 4.888 17.380 -4.994 1.00 41.00 N ATOM 940 CA LEU A 63 6.007 16.583 -4.504 1.00 63.42 C ATOM 941 C LEU A 63 6.450 17.056 -3.123 1.00 71.14 C ATOM 942 O LEU A 63 6.342 18.238 -2.796 1.00 34.33 O ATOM 943 CB LEU A 63 7.181 16.659 -5.483 1.00 14.54 C ATOM 944 CG LEU A 63 8.576 16.544 -4.868 1.00 11.12 C ATOM 945 CD1 LEU A 63 9.216 15.216 -5.241 1.00 74.13 C ATOM 946 CD2 LEU A 63 9.453 17.705 -5.314 1.00 70.20 C ATOM 0 H LEU A 63 4.464 17.987 -4.293 1.00 41.00 H new ATOM 0 HA LEU A 63 5.675 15.548 -4.424 1.00 63.42 H new ATOM 0 HB2 LEU A 63 7.065 15.865 -6.221 1.00 14.54 H new ATOM 0 HB3 LEU A 63 7.119 17.605 -6.020 1.00 14.54 H new ATOM 0 HG LEU A 63 8.478 16.585 -3.783 1.00 11.12 H new ATOM 0 HD11 LEU A 63 10.208 15.152 -4.794 1.00 74.13 H new ATOM 0 HD12 LEU A 63 8.598 14.398 -4.871 1.00 74.13 H new ATOM 0 HD13 LEU A 63 9.301 15.145 -6.325 1.00 74.13 H new ATOM 0 HD21 LEU A 63 10.442 17.607 -4.867 1.00 70.20 H new ATOM 0 HD22 LEU A 63 9.544 17.696 -6.400 1.00 70.20 H new ATOM 0 HD23 LEU A 63 9.002 18.645 -4.995 1.00 70.20 H new ATOM 958 N LYS A 64 6.951 16.126 -2.318 1.00 21.15 N ATOM 959 CA LYS A 64 7.414 16.447 -0.973 1.00 23.12 C ATOM 960 C LYS A 64 8.874 16.044 -0.789 1.00 72.52 C ATOM 961 O LYS A 64 9.269 14.930 -1.136 1.00 50.41 O ATOM 962 CB LYS A 64 6.544 15.742 0.070 1.00 2.14 C ATOM 963 CG LYS A 64 7.319 14.790 0.966 1.00 53.34 C ATOM 964 CD LYS A 64 6.389 13.968 1.842 1.00 12.32 C ATOM 965 CE LYS A 64 5.201 13.439 1.053 1.00 43.34 C ATOM 966 NZ LYS A 64 4.553 12.284 1.733 1.00 11.31 N ATOM 0 H LYS A 64 7.047 15.143 -2.573 1.00 21.15 H new ATOM 0 HA LYS A 64 7.333 17.525 -0.836 1.00 23.12 H new ATOM 0 HB2 LYS A 64 6.054 16.493 0.690 1.00 2.14 H new ATOM 0 HB3 LYS A 64 5.757 15.187 -0.441 1.00 2.14 H new ATOM 0 HG2 LYS A 64 7.926 14.124 0.352 1.00 53.34 H new ATOM 0 HG3 LYS A 64 8.005 15.358 1.594 1.00 53.34 H new ATOM 0 HD2 LYS A 64 6.940 13.133 2.276 1.00 12.32 H new ATOM 0 HD3 LYS A 64 6.033 14.580 2.671 1.00 12.32 H new ATOM 0 HE2 LYS A 64 4.471 14.237 0.918 1.00 43.34 H new ATOM 0 HE3 LYS A 64 5.531 13.137 0.059 1.00 43.34 H new ATOM 0 HZ1 LYS A 64 3.748 11.953 1.164 1.00 11.31 H new ATOM 0 HZ2 LYS A 64 5.242 11.513 1.840 1.00 11.31 H new ATOM 0 HZ3 LYS A 64 4.215 12.579 2.671 1.00 11.31 H new ATOM 980 N VAL A 65 9.671 16.955 -0.240 1.00 54.13 N ATOM 981 CA VAL A 65 11.086 16.693 -0.008 1.00 71.02 C ATOM 982 C VAL A 65 11.474 17.006 1.433 1.00 73.04 C ATOM 983 O VAL A 65 10.790 17.766 2.119 1.00 23.21 O ATOM 984 CB VAL A 65 11.973 17.520 -0.958 1.00 70.41 C ATOM 985 CG1 VAL A 65 11.163 18.022 -2.144 1.00 20.43 C ATOM 986 CG2 VAL A 65 12.616 18.679 -0.212 1.00 60.20 C ATOM 0 H VAL A 65 9.360 17.881 0.052 1.00 54.13 H new ATOM 0 HA VAL A 65 11.248 15.633 -0.203 1.00 71.02 H new ATOM 0 HB VAL A 65 12.767 16.877 -1.338 1.00 70.41 H new ATOM 0 HG11 VAL A 65 11.806 18.604 -2.804 1.00 20.43 H new ATOM 0 HG12 VAL A 65 10.755 17.172 -2.692 1.00 20.43 H new ATOM 0 HG13 VAL A 65 10.346 18.650 -1.787 1.00 20.43 H new ATOM 0 HG21 VAL A 65 13.239 19.253 -0.898 1.00 60.20 H new ATOM 0 HG22 VAL A 65 11.839 19.324 0.198 1.00 60.20 H new ATOM 0 HG23 VAL A 65 13.232 18.292 0.600 1.00 60.20 H new ATOM 996 N ASP A 66 12.575 16.416 1.885 1.00 74.25 N ATOM 997 CA ASP A 66 13.055 16.633 3.244 1.00 23.42 C ATOM 998 C ASP A 66 14.276 17.548 3.250 1.00 72.34 C ATOM 999 O ASP A 66 15.277 17.269 2.589 1.00 31.15 O ATOM 1000 CB ASP A 66 13.401 15.297 3.905 1.00 53.22 C ATOM 1001 CG ASP A 66 13.321 15.362 5.417 1.00 34.44 C ATOM 1002 OD1 ASP A 66 13.211 16.482 5.958 1.00 24.21 O ATOM 1003 OD2 ASP A 66 13.368 14.292 6.061 1.00 72.15 O ATOM 0 H ASP A 66 13.152 15.784 1.330 1.00 74.25 H new ATOM 0 HA ASP A 66 12.259 17.115 3.811 1.00 23.42 H new ATOM 0 HB2 ASP A 66 12.720 14.528 3.541 1.00 53.22 H new ATOM 0 HB3 ASP A 66 14.407 14.998 3.610 1.00 53.22 H new ATOM 1008 N VAL A 67 14.185 18.642 3.998 1.00 2.43 N ATOM 1009 CA VAL A 67 15.282 19.599 4.090 1.00 73.11 C ATOM 1010 C VAL A 67 16.317 19.152 5.115 1.00 22.55 C ATOM 1011 O VAL A 67 16.908 19.974 5.815 1.00 22.15 O ATOM 1012 CB VAL A 67 14.772 21.002 4.469 1.00 3.05 C ATOM 1013 CG1 VAL A 67 13.684 21.454 3.507 1.00 21.44 C ATOM 1014 CG2 VAL A 67 14.266 21.015 5.904 1.00 70.51 C ATOM 0 H VAL A 67 13.363 18.888 4.549 1.00 2.43 H new ATOM 0 HA VAL A 67 15.747 19.643 3.105 1.00 73.11 H new ATOM 0 HB VAL A 67 15.603 21.704 4.394 1.00 3.05 H new ATOM 0 HG11 VAL A 67 13.337 22.447 3.791 1.00 21.44 H new ATOM 0 HG12 VAL A 67 14.085 21.486 2.494 1.00 21.44 H new ATOM 0 HG13 VAL A 67 12.850 20.753 3.546 1.00 21.44 H new ATOM 0 HG21 VAL A 67 13.909 22.014 6.155 1.00 70.51 H new ATOM 0 HG22 VAL A 67 13.449 20.301 6.008 1.00 70.51 H new ATOM 0 HG23 VAL A 67 15.077 20.739 6.578 1.00 70.51 H new ATOM 1024 N ASP A 68 16.532 17.843 5.199 1.00 43.34 N ATOM 1025 CA ASP A 68 17.498 17.285 6.138 1.00 42.41 C ATOM 1026 C ASP A 68 18.502 16.391 5.418 1.00 64.03 C ATOM 1027 O ASP A 68 19.600 16.147 5.918 1.00 71.33 O ATOM 1028 CB ASP A 68 16.780 16.491 7.230 1.00 72.45 C ATOM 1029 CG ASP A 68 17.431 16.654 8.589 1.00 42.24 C ATOM 1030 OD1 ASP A 68 18.593 16.223 8.745 1.00 14.21 O ATOM 1031 OD2 ASP A 68 16.779 17.213 9.496 1.00 24.41 O ATOM 0 H ASP A 68 16.050 17.149 4.628 1.00 43.34 H new ATOM 0 HA ASP A 68 18.040 18.112 6.598 1.00 42.41 H new ATOM 0 HB2 ASP A 68 15.741 16.816 7.287 1.00 72.45 H new ATOM 0 HB3 ASP A 68 16.770 15.435 6.960 1.00 72.45 H new ATOM 1036 N GLU A 69 18.118 15.905 4.242 1.00 53.25 N ATOM 1037 CA GLU A 69 18.985 15.036 3.454 1.00 15.32 C ATOM 1038 C GLU A 69 19.409 15.721 2.158 1.00 33.20 C ATOM 1039 O GLU A 69 20.536 15.550 1.692 1.00 21.23 O ATOM 1040 CB GLU A 69 18.273 13.719 3.139 1.00 53.01 C ATOM 1041 CG GLU A 69 16.914 13.903 2.484 1.00 63.15 C ATOM 1042 CD GLU A 69 15.807 13.179 3.224 1.00 74.22 C ATOM 1043 OE1 GLU A 69 15.891 13.079 4.466 1.00 54.20 O ATOM 1044 OE2 GLU A 69 14.856 12.712 2.562 1.00 65.31 O ATOM 0 H GLU A 69 17.213 16.098 3.814 1.00 53.25 H new ATOM 0 HA GLU A 69 19.878 14.826 4.042 1.00 15.32 H new ATOM 0 HB2 GLU A 69 18.906 13.122 2.482 1.00 53.01 H new ATOM 0 HB3 GLU A 69 18.148 13.153 4.062 1.00 53.01 H new ATOM 0 HG2 GLU A 69 16.679 14.966 2.436 1.00 63.15 H new ATOM 0 HG3 GLU A 69 16.958 13.540 1.457 1.00 63.15 H new ATOM 1051 N LEU A 70 18.498 16.496 1.580 1.00 72.21 N ATOM 1052 CA LEU A 70 18.776 17.207 0.337 1.00 71.33 C ATOM 1053 C LEU A 70 18.479 18.696 0.483 1.00 75.44 C ATOM 1054 O LEU A 70 18.240 19.392 -0.504 1.00 44.14 O ATOM 1055 CB LEU A 70 17.947 16.619 -0.806 1.00 75.14 C ATOM 1056 CG LEU A 70 16.507 17.122 -0.918 1.00 72.45 C ATOM 1057 CD1 LEU A 70 16.023 17.038 -2.358 1.00 33.13 C ATOM 1058 CD2 LEU A 70 15.591 16.327 0.001 1.00 22.22 C ATOM 0 H LEU A 70 17.561 16.648 1.952 1.00 72.21 H new ATOM 0 HA LEU A 70 19.835 17.088 0.108 1.00 71.33 H new ATOM 0 HB2 LEU A 70 18.459 16.830 -1.745 1.00 75.14 H new ATOM 0 HB3 LEU A 70 17.924 15.535 -0.692 1.00 75.14 H new ATOM 0 HG LEU A 70 16.482 18.167 -0.608 1.00 72.45 H new ATOM 0 HD11 LEU A 70 14.997 17.400 -2.419 1.00 33.13 H new ATOM 0 HD12 LEU A 70 16.662 17.651 -2.993 1.00 33.13 H new ATOM 0 HD13 LEU A 70 16.063 16.002 -2.695 1.00 33.13 H new ATOM 0 HD21 LEU A 70 14.571 16.699 -0.092 1.00 22.22 H new ATOM 0 HD22 LEU A 70 15.620 15.274 -0.278 1.00 22.22 H new ATOM 0 HD23 LEU A 70 15.925 16.438 1.033 1.00 22.22 H new ATOM 1070 N LYS A 71 18.496 19.179 1.720 1.00 30.42 N ATOM 1071 CA LYS A 71 18.232 20.586 1.997 1.00 71.33 C ATOM 1072 C LYS A 71 18.723 21.467 0.853 1.00 65.44 C ATOM 1073 O LYS A 71 18.120 22.494 0.545 1.00 34.33 O ATOM 1074 CB LYS A 71 18.908 21.005 3.304 1.00 13.31 C ATOM 1075 CG LYS A 71 19.972 20.031 3.779 1.00 50.13 C ATOM 1076 CD LYS A 71 21.204 20.758 4.292 1.00 31.50 C ATOM 1077 CE LYS A 71 22.212 20.999 3.179 1.00 4.44 C ATOM 1078 NZ LYS A 71 23.537 20.394 3.490 1.00 72.51 N ATOM 0 H LYS A 71 18.690 18.616 2.548 1.00 30.42 H new ATOM 0 HA LYS A 71 17.154 20.715 2.095 1.00 71.33 H new ATOM 0 HB2 LYS A 71 19.361 21.987 3.170 1.00 13.31 H new ATOM 0 HB3 LYS A 71 18.149 21.107 4.079 1.00 13.31 H new ATOM 0 HG2 LYS A 71 19.564 19.402 4.570 1.00 50.13 H new ATOM 0 HG3 LYS A 71 20.253 19.370 2.959 1.00 50.13 H new ATOM 0 HD2 LYS A 71 20.909 21.712 4.730 1.00 31.50 H new ATOM 0 HD3 LYS A 71 21.669 20.173 5.085 1.00 31.50 H new ATOM 0 HE2 LYS A 71 21.831 20.580 2.247 1.00 4.44 H new ATOM 0 HE3 LYS A 71 22.330 22.071 3.022 1.00 4.44 H new ATOM 0 HZ1 LYS A 71 24.196 20.580 2.707 1.00 72.51 H new ATOM 0 HZ2 LYS A 71 23.912 20.812 4.365 1.00 72.51 H new ATOM 0 HZ3 LYS A 71 23.429 19.367 3.615 1.00 72.51 H new ATOM 1092 N GLU A 72 19.822 21.056 0.225 1.00 15.44 N ATOM 1093 CA GLU A 72 20.392 21.809 -0.885 1.00 44.33 C ATOM 1094 C GLU A 72 19.294 22.447 -1.731 1.00 43.24 C ATOM 1095 O GLU A 72 19.497 23.496 -2.344 1.00 22.30 O ATOM 1096 CB GLU A 72 21.258 20.897 -1.757 1.00 3.40 C ATOM 1097 CG GLU A 72 20.457 19.906 -2.584 1.00 41.01 C ATOM 1098 CD GLU A 72 21.020 18.500 -2.516 1.00 24.21 C ATOM 1099 OE1 GLU A 72 21.715 18.187 -1.526 1.00 34.11 O ATOM 1100 OE2 GLU A 72 20.768 17.713 -3.452 1.00 34.23 O ATOM 0 H GLU A 72 20.333 20.207 0.467 1.00 15.44 H new ATOM 0 HA GLU A 72 21.014 22.602 -0.471 1.00 44.33 H new ATOM 0 HB2 GLU A 72 21.860 21.512 -2.426 1.00 3.40 H new ATOM 0 HB3 GLU A 72 21.951 20.349 -1.119 1.00 3.40 H new ATOM 0 HG2 GLU A 72 19.425 19.897 -2.234 1.00 41.01 H new ATOM 0 HG3 GLU A 72 20.439 20.236 -3.623 1.00 41.01 H new ATOM 1107 N VAL A 73 18.130 21.806 -1.761 1.00 2.22 N ATOM 1108 CA VAL A 73 16.999 22.310 -2.531 1.00 22.02 C ATOM 1109 C VAL A 73 16.288 23.436 -1.789 1.00 54.14 C ATOM 1110 O VAL A 73 15.972 24.474 -2.371 1.00 71.40 O ATOM 1111 CB VAL A 73 15.986 21.191 -2.837 1.00 51.22 C ATOM 1112 CG1 VAL A 73 14.753 21.760 -3.523 1.00 1.32 C ATOM 1113 CG2 VAL A 73 16.629 20.109 -3.691 1.00 44.44 C ATOM 0 H VAL A 73 17.945 20.936 -1.261 1.00 2.22 H new ATOM 0 HA VAL A 73 17.400 22.694 -3.469 1.00 22.02 H new ATOM 0 HB VAL A 73 15.673 20.740 -1.895 1.00 51.22 H new ATOM 0 HG11 VAL A 73 14.048 20.955 -3.731 1.00 1.32 H new ATOM 0 HG12 VAL A 73 14.281 22.496 -2.872 1.00 1.32 H new ATOM 0 HG13 VAL A 73 15.045 22.238 -4.458 1.00 1.32 H new ATOM 0 HG21 VAL A 73 15.899 19.327 -3.897 1.00 44.44 H new ATOM 0 HG22 VAL A 73 16.972 20.543 -4.631 1.00 44.44 H new ATOM 0 HG23 VAL A 73 17.478 19.681 -3.158 1.00 44.44 H new ATOM 1123 N ALA A 74 16.038 23.224 -0.501 1.00 45.23 N ATOM 1124 CA ALA A 74 15.366 24.222 0.321 1.00 3.41 C ATOM 1125 C ALA A 74 16.247 25.451 0.523 1.00 61.22 C ATOM 1126 O ALA A 74 15.750 26.546 0.782 1.00 34.01 O ATOM 1127 CB ALA A 74 14.976 23.624 1.665 1.00 64.25 C ATOM 0 H ALA A 74 16.291 22.370 -0.005 1.00 45.23 H new ATOM 0 HA ALA A 74 14.462 24.537 -0.201 1.00 3.41 H new ATOM 0 HB1 ALA A 74 14.475 24.381 2.268 1.00 64.25 H new ATOM 0 HB2 ALA A 74 14.302 22.782 1.507 1.00 64.25 H new ATOM 0 HB3 ALA A 74 15.871 23.280 2.184 1.00 64.25 H new ATOM 1133 N GLU A 75 17.557 25.260 0.403 1.00 42.34 N ATOM 1134 CA GLU A 75 18.506 26.354 0.574 1.00 64.04 C ATOM 1135 C GLU A 75 18.470 27.298 -0.625 1.00 25.02 C ATOM 1136 O GLU A 75 18.828 28.471 -0.517 1.00 12.22 O ATOM 1137 CB GLU A 75 19.922 25.805 0.762 1.00 2.22 C ATOM 1138 CG GLU A 75 20.007 24.673 1.772 1.00 74.22 C ATOM 1139 CD GLU A 75 20.923 24.996 2.936 1.00 15.32 C ATOM 1140 OE1 GLU A 75 20.608 25.939 3.693 1.00 22.43 O ATOM 1141 OE2 GLU A 75 21.953 24.308 3.090 1.00 0.32 O ATOM 0 H GLU A 75 17.985 24.359 0.188 1.00 42.34 H new ATOM 0 HA GLU A 75 18.220 26.914 1.464 1.00 64.04 H new ATOM 0 HB2 GLU A 75 20.296 25.452 -0.199 1.00 2.22 H new ATOM 0 HB3 GLU A 75 20.577 26.615 1.081 1.00 2.22 H new ATOM 0 HG2 GLU A 75 19.009 24.453 2.150 1.00 74.22 H new ATOM 0 HG3 GLU A 75 20.364 23.772 1.273 1.00 74.22 H new ATOM 1148 N LYS A 76 18.037 26.777 -1.768 1.00 11.33 N ATOM 1149 CA LYS A 76 17.953 27.571 -2.988 1.00 13.54 C ATOM 1150 C LYS A 76 16.676 28.406 -3.006 1.00 43.34 C ATOM 1151 O LYS A 76 16.659 29.520 -3.532 1.00 31.41 O ATOM 1152 CB LYS A 76 17.998 26.661 -4.217 1.00 53.52 C ATOM 1153 CG LYS A 76 16.627 26.202 -4.684 1.00 64.03 C ATOM 1154 CD LYS A 76 16.697 24.846 -5.367 1.00 54.30 C ATOM 1155 CE LYS A 76 16.355 24.949 -6.846 1.00 25.23 C ATOM 1156 NZ LYS A 76 16.313 23.611 -7.499 1.00 43.43 N ATOM 0 H LYS A 76 17.739 25.808 -1.875 1.00 11.33 H new ATOM 0 HA LYS A 76 18.808 28.246 -3.013 1.00 13.54 H new ATOM 0 HB2 LYS A 76 18.492 27.189 -5.032 1.00 53.52 H new ATOM 0 HB3 LYS A 76 18.607 25.786 -3.989 1.00 53.52 H new ATOM 0 HG2 LYS A 76 15.951 26.147 -3.831 1.00 64.03 H new ATOM 0 HG3 LYS A 76 16.211 26.937 -5.373 1.00 64.03 H new ATOM 0 HD2 LYS A 76 17.698 24.431 -5.252 1.00 54.30 H new ATOM 0 HD3 LYS A 76 16.008 24.156 -4.880 1.00 54.30 H new ATOM 0 HE2 LYS A 76 15.389 25.441 -6.962 1.00 25.23 H new ATOM 0 HE3 LYS A 76 17.093 25.575 -7.347 1.00 25.23 H new ATOM 0 HZ1 LYS A 76 16.468 23.719 -8.522 1.00 43.43 H new ATOM 0 HZ2 LYS A 76 17.058 23.006 -7.098 1.00 43.43 H new ATOM 0 HZ3 LYS A 76 15.384 23.173 -7.334 1.00 43.43 H new ATOM 1170 N TYR A 77 15.611 27.863 -2.429 1.00 32.50 N ATOM 1171 CA TYR A 77 14.330 28.557 -2.380 1.00 52.24 C ATOM 1172 C TYR A 77 14.201 29.374 -1.098 1.00 61.22 C ATOM 1173 O TYR A 77 13.330 30.235 -0.982 1.00 70.42 O ATOM 1174 CB TYR A 77 13.178 27.555 -2.478 1.00 23.03 C ATOM 1175 CG TYR A 77 13.169 26.767 -3.768 1.00 53.12 C ATOM 1176 CD1 TYR A 77 13.531 27.362 -4.971 1.00 32.03 C ATOM 1177 CD2 TYR A 77 12.797 25.429 -3.786 1.00 33.35 C ATOM 1178 CE1 TYR A 77 13.523 26.646 -6.152 1.00 51.54 C ATOM 1179 CE2 TYR A 77 12.787 24.705 -4.962 1.00 42.12 C ATOM 1180 CZ TYR A 77 13.151 25.318 -6.143 1.00 11.31 C ATOM 1181 OH TYR A 77 13.141 24.601 -7.317 1.00 44.34 O ATOM 0 H TYR A 77 15.609 26.943 -1.988 1.00 32.50 H new ATOM 0 HA TYR A 77 14.283 29.238 -3.230 1.00 52.24 H new ATOM 0 HB2 TYR A 77 13.238 26.862 -1.639 1.00 23.03 H new ATOM 0 HB3 TYR A 77 12.233 28.090 -2.382 1.00 23.03 H new ATOM 0 HD1 TYR A 77 13.823 28.402 -4.982 1.00 32.03 H new ATOM 0 HD2 TYR A 77 12.510 24.946 -2.864 1.00 33.35 H new ATOM 0 HE1 TYR A 77 13.807 27.124 -7.078 1.00 51.54 H new ATOM 0 HE2 TYR A 77 12.496 23.665 -4.957 1.00 42.12 H new ATOM 0 HH TYR A 77 12.856 23.681 -7.136 1.00 44.34 H new ATOM 1191 N ASN A 78 15.077 29.096 -0.137 1.00 53.55 N ATOM 1192 CA ASN A 78 15.062 29.805 1.137 1.00 24.44 C ATOM 1193 C ASN A 78 13.824 29.438 1.949 1.00 13.32 C ATOM 1194 O ASN A 78 12.907 30.246 2.102 1.00 60.21 O ATOM 1195 CB ASN A 78 15.105 31.316 0.905 1.00 2.33 C ATOM 1196 CG ASN A 78 15.280 32.095 2.195 1.00 32.51 C ATOM 1197 OD1 ASN A 78 14.507 33.006 2.493 1.00 62.41 O ATOM 1198 ND2 ASN A 78 16.299 31.738 2.968 1.00 64.13 N ATOM 0 H ASN A 78 15.805 28.386 -0.217 1.00 53.55 H new ATOM 0 HA ASN A 78 15.946 29.506 1.701 1.00 24.44 H new ATOM 0 HB2 ASN A 78 15.924 31.553 0.227 1.00 2.33 H new ATOM 0 HB3 ASN A 78 14.184 31.632 0.415 1.00 2.33 H new ATOM 0 HD21 ASN A 78 16.466 32.225 3.849 1.00 64.13 H new ATOM 0 HD22 ASN A 78 16.914 30.977 2.681 1.00 64.13 H new ATOM 1246 N MET A 82 10.987 24.214 7.238 1.00 33.54 N ATOM 1247 CA MET A 82 9.567 24.010 7.505 1.00 44.23 C ATOM 1248 C MET A 82 8.889 23.309 6.332 1.00 22.32 C ATOM 1249 O MET A 82 9.452 23.181 5.245 1.00 51.15 O ATOM 1250 CB MET A 82 8.881 25.350 7.779 1.00 60.31 C ATOM 1251 CG MET A 82 9.853 26.488 8.043 1.00 43.04 C ATOM 1252 SD MET A 82 9.676 27.840 6.863 1.00 10.32 S ATOM 1253 CE MET A 82 9.734 26.946 5.312 1.00 13.51 C ATOM 0 HA MET A 82 9.475 23.376 8.387 1.00 44.23 H new ATOM 0 HB2 MET A 82 8.254 25.609 6.926 1.00 60.31 H new ATOM 0 HB3 MET A 82 8.220 25.241 8.639 1.00 60.31 H new ATOM 0 HG2 MET A 82 9.695 26.869 9.052 1.00 43.04 H new ATOM 0 HG3 MET A 82 10.873 26.106 8.002 1.00 43.04 H new ATOM 0 HE1 MET A 82 9.887 27.648 4.493 1.00 13.51 H new ATOM 0 HE2 MET A 82 10.556 26.231 5.335 1.00 13.51 H new ATOM 0 HE3 MET A 82 8.794 26.414 5.163 1.00 13.51 H new ATOM 1263 N PRO A 83 7.652 22.842 6.556 1.00 53.32 N ATOM 1264 CA PRO A 83 6.871 22.146 5.529 1.00 14.01 C ATOM 1265 C PRO A 83 6.422 23.079 4.410 1.00 43.33 C ATOM 1266 O PRO A 83 5.455 22.797 3.701 1.00 4.00 O ATOM 1267 CB PRO A 83 5.660 21.618 6.302 1.00 34.12 C ATOM 1268 CG PRO A 83 5.522 22.538 7.466 1.00 41.13 C ATOM 1269 CD PRO A 83 6.919 22.959 7.828 1.00 5.01 C ATOM 0 HA PRO A 83 7.451 21.367 5.034 1.00 14.01 H new ATOM 0 HB2 PRO A 83 4.762 21.625 5.684 1.00 34.12 H new ATOM 0 HB3 PRO A 83 5.816 20.589 6.627 1.00 34.12 H new ATOM 0 HG2 PRO A 83 4.908 23.402 7.210 1.00 41.13 H new ATOM 0 HG3 PRO A 83 5.036 22.038 8.303 1.00 41.13 H new ATOM 0 HD2 PRO A 83 6.944 23.978 8.214 1.00 5.01 H new ATOM 0 HD3 PRO A 83 7.345 22.316 8.598 1.00 5.01 H new ATOM 1277 N THR A 84 7.131 24.193 4.254 1.00 1.34 N ATOM 1278 CA THR A 84 6.806 25.169 3.222 1.00 73.45 C ATOM 1279 C THR A 84 6.488 24.482 1.898 1.00 13.30 C ATOM 1280 O THR A 84 7.266 23.663 1.409 1.00 42.40 O ATOM 1281 CB THR A 84 7.961 26.165 3.006 1.00 75.23 C ATOM 1282 OG1 THR A 84 7.687 27.389 3.696 1.00 53.21 O ATOM 1283 CG2 THR A 84 8.163 26.446 1.524 1.00 11.14 C ATOM 0 H THR A 84 7.935 24.441 4.830 1.00 1.34 H new ATOM 0 HA THR A 84 5.927 25.714 3.567 1.00 73.45 H new ATOM 0 HB THR A 84 8.874 25.721 3.403 1.00 75.23 H new ATOM 0 HG1 THR A 84 8.108 28.135 3.219 1.00 53.21 H new ATOM 0 HG21 THR A 84 8.984 27.152 1.396 1.00 11.14 H new ATOM 0 HG22 THR A 84 8.400 25.516 1.006 1.00 11.14 H new ATOM 0 HG23 THR A 84 7.250 26.871 1.107 1.00 11.14 H new ATOM 1291 N PHE A 85 5.339 24.822 1.322 1.00 63.32 N ATOM 1292 CA PHE A 85 4.918 24.238 0.054 1.00 61.52 C ATOM 1293 C PHE A 85 5.450 25.050 -1.123 1.00 1.41 C ATOM 1294 O PHE A 85 4.719 25.344 -2.070 1.00 45.50 O ATOM 1295 CB PHE A 85 3.392 24.160 -0.014 1.00 75.31 C ATOM 1296 CG PHE A 85 2.865 22.754 -0.075 1.00 41.32 C ATOM 1297 CD1 PHE A 85 3.170 21.932 -1.148 1.00 4.03 C ATOM 1298 CD2 PHE A 85 2.064 22.256 0.940 1.00 63.23 C ATOM 1299 CE1 PHE A 85 2.688 20.638 -1.207 1.00 11.11 C ATOM 1300 CE2 PHE A 85 1.579 20.963 0.886 1.00 23.32 C ATOM 1301 CZ PHE A 85 1.890 20.153 -0.189 1.00 4.31 C ATOM 0 H PHE A 85 4.684 25.499 1.713 1.00 63.32 H new ATOM 0 HA PHE A 85 5.330 23.231 -0.007 1.00 61.52 H new ATOM 0 HB2 PHE A 85 2.971 24.659 0.859 1.00 75.31 H new ATOM 0 HB3 PHE A 85 3.047 24.707 -0.891 1.00 75.31 H new ATOM 0 HD1 PHE A 85 3.792 22.307 -1.948 1.00 4.03 H new ATOM 0 HD2 PHE A 85 1.816 22.885 1.782 1.00 63.23 H new ATOM 0 HE1 PHE A 85 2.935 20.007 -2.048 1.00 11.11 H new ATOM 0 HE2 PHE A 85 0.957 20.586 1.684 1.00 23.32 H new ATOM 0 HZ PHE A 85 1.510 19.143 -0.233 1.00 4.31 H new ATOM 1311 N LEU A 86 6.727 25.411 -1.056 1.00 12.13 N ATOM 1312 CA LEU A 86 7.358 26.191 -2.115 1.00 22.13 C ATOM 1313 C LEU A 86 6.738 25.870 -3.471 1.00 12.43 C ATOM 1314 O LEU A 86 6.325 24.739 -3.725 1.00 23.54 O ATOM 1315 CB LEU A 86 8.862 25.914 -2.151 1.00 3.40 C ATOM 1316 CG LEU A 86 9.764 27.131 -2.364 1.00 15.23 C ATOM 1317 CD1 LEU A 86 9.246 27.985 -3.511 1.00 71.20 C ATOM 1318 CD2 LEU A 86 9.860 27.953 -1.087 1.00 2.04 C ATOM 0 H LEU A 86 7.345 25.176 -0.280 1.00 12.13 H new ATOM 0 HA LEU A 86 7.194 27.247 -1.902 1.00 22.13 H new ATOM 0 HB2 LEU A 86 9.146 25.436 -1.213 1.00 3.40 H new ATOM 0 HB3 LEU A 86 9.060 25.196 -2.947 1.00 3.40 H new ATOM 0 HG LEU A 86 10.763 26.778 -2.622 1.00 15.23 H new ATOM 0 HD11 LEU A 86 9.900 28.846 -3.648 1.00 71.20 H new ATOM 0 HD12 LEU A 86 9.229 27.393 -4.426 1.00 71.20 H new ATOM 0 HD13 LEU A 86 8.237 28.329 -3.282 1.00 71.20 H new ATOM 0 HD21 LEU A 86 10.506 28.815 -1.257 1.00 2.04 H new ATOM 0 HD22 LEU A 86 8.866 28.295 -0.799 1.00 2.04 H new ATOM 0 HD23 LEU A 86 10.277 27.339 -0.289 1.00 2.04 H new ATOM 1330 N PHE A 87 6.677 26.874 -4.340 1.00 31.03 N ATOM 1331 CA PHE A 87 6.108 26.699 -5.671 1.00 61.01 C ATOM 1332 C PHE A 87 7.092 27.150 -6.747 1.00 21.15 C ATOM 1333 O PHE A 87 7.779 28.160 -6.590 1.00 52.11 O ATOM 1334 CB PHE A 87 4.801 27.485 -5.798 1.00 23.32 C ATOM 1335 CG PHE A 87 3.675 26.909 -4.988 1.00 10.55 C ATOM 1336 CD1 PHE A 87 3.674 27.015 -3.606 1.00 32.31 C ATOM 1337 CD2 PHE A 87 2.617 26.264 -5.607 1.00 42.14 C ATOM 1338 CE1 PHE A 87 2.639 26.486 -2.858 1.00 60.51 C ATOM 1339 CE2 PHE A 87 1.579 25.733 -4.865 1.00 3.33 C ATOM 1340 CZ PHE A 87 1.590 25.845 -3.488 1.00 51.22 C ATOM 0 H PHE A 87 7.015 27.817 -4.146 1.00 31.03 H new ATOM 0 HA PHE A 87 5.901 25.638 -5.814 1.00 61.01 H new ATOM 0 HB2 PHE A 87 4.974 28.515 -5.485 1.00 23.32 H new ATOM 0 HB3 PHE A 87 4.505 27.516 -6.847 1.00 23.32 H new ATOM 0 HD1 PHE A 87 4.491 27.516 -3.108 1.00 32.31 H new ATOM 0 HD2 PHE A 87 2.603 26.175 -6.683 1.00 42.14 H new ATOM 0 HE1 PHE A 87 2.650 26.574 -1.782 1.00 60.51 H new ATOM 0 HE2 PHE A 87 0.761 25.231 -5.361 1.00 3.33 H new ATOM 0 HZ PHE A 87 0.780 25.432 -2.905 1.00 51.22 H new ATOM 1350 N ILE A 88 7.155 26.394 -7.837 1.00 72.41 N ATOM 1351 CA ILE A 88 8.054 26.715 -8.939 1.00 12.15 C ATOM 1352 C ILE A 88 7.304 26.758 -10.266 1.00 20.43 C ATOM 1353 O ILE A 88 7.388 25.829 -11.069 1.00 61.33 O ATOM 1354 CB ILE A 88 9.203 25.695 -9.043 1.00 51.14 C ATOM 1355 CG1 ILE A 88 9.753 25.369 -7.653 1.00 73.43 C ATOM 1356 CG2 ILE A 88 10.307 26.231 -9.943 1.00 14.20 C ATOM 1357 CD1 ILE A 88 10.548 26.498 -7.037 1.00 40.35 C ATOM 0 H ILE A 88 6.594 25.554 -7.981 1.00 72.41 H new ATOM 0 HA ILE A 88 8.472 27.700 -8.729 1.00 12.15 H new ATOM 0 HB ILE A 88 8.815 24.777 -9.484 1.00 51.14 H new ATOM 0 HG12 ILE A 88 8.923 25.118 -6.993 1.00 73.43 H new ATOM 0 HG13 ILE A 88 10.386 24.484 -7.720 1.00 73.43 H new ATOM 0 HG21 ILE A 88 11.112 25.499 -10.007 1.00 14.20 H new ATOM 0 HG22 ILE A 88 9.906 26.417 -10.939 1.00 14.20 H new ATOM 0 HG23 ILE A 88 10.695 27.162 -9.528 1.00 14.20 H new ATOM 0 HD11 ILE A 88 10.906 26.196 -6.053 1.00 40.35 H new ATOM 0 HD12 ILE A 88 11.399 26.735 -7.676 1.00 40.35 H new ATOM 0 HD13 ILE A 88 9.913 27.378 -6.937 1.00 40.35 H new ATOM 1369 N LYS A 89 6.571 27.843 -10.490 1.00 44.15 N ATOM 1370 CA LYS A 89 5.808 28.010 -11.722 1.00 3.24 C ATOM 1371 C LYS A 89 6.712 28.459 -12.865 1.00 62.44 C ATOM 1372 O LYS A 89 7.368 29.497 -12.780 1.00 51.24 O ATOM 1373 CB LYS A 89 4.685 29.029 -11.515 1.00 43.24 C ATOM 1374 CG LYS A 89 3.995 29.442 -12.804 1.00 15.14 C ATOM 1375 CD LYS A 89 3.390 30.831 -12.691 1.00 54.54 C ATOM 1376 CE LYS A 89 2.082 30.809 -11.914 1.00 44.21 C ATOM 1377 NZ LYS A 89 0.943 31.311 -12.731 1.00 73.40 N ATOM 0 H LYS A 89 6.489 28.620 -9.835 1.00 44.15 H new ATOM 0 HA LYS A 89 5.372 27.046 -11.984 1.00 3.24 H new ATOM 0 HB2 LYS A 89 3.945 28.608 -10.835 1.00 43.24 H new ATOM 0 HB3 LYS A 89 5.095 29.916 -11.031 1.00 43.24 H new ATOM 0 HG2 LYS A 89 4.712 29.422 -13.624 1.00 15.14 H new ATOM 0 HG3 LYS A 89 3.213 28.722 -13.046 1.00 15.14 H new ATOM 0 HD2 LYS A 89 4.097 31.497 -12.197 1.00 54.54 H new ATOM 0 HD3 LYS A 89 3.215 31.235 -13.688 1.00 54.54 H new ATOM 0 HE2 LYS A 89 1.872 29.791 -11.585 1.00 44.21 H new ATOM 0 HE3 LYS A 89 2.182 31.420 -11.017 1.00 44.21 H new ATOM 0 HZ1 LYS A 89 0.070 31.280 -12.166 1.00 73.40 H new ATOM 0 HZ2 LYS A 89 1.131 32.291 -13.024 1.00 73.40 H new ATOM 0 HZ3 LYS A 89 0.831 30.713 -13.574 1.00 73.40 H new ATOM 1391 N ASP A 90 6.741 27.671 -13.934 1.00 71.54 N ATOM 1392 CA ASP A 90 7.563 27.988 -15.097 1.00 14.04 C ATOM 1393 C ASP A 90 8.995 27.501 -14.899 1.00 75.43 C ATOM 1394 O ASP A 90 9.779 27.447 -15.846 1.00 33.33 O ATOM 1395 CB ASP A 90 7.555 29.495 -15.357 1.00 10.22 C ATOM 1396 CG ASP A 90 7.737 29.830 -16.824 1.00 53.31 C ATOM 1397 OD1 ASP A 90 8.886 29.768 -17.309 1.00 12.04 O ATOM 1398 OD2 ASP A 90 6.730 30.156 -17.488 1.00 31.21 O ATOM 0 H ASP A 90 6.205 26.808 -14.020 1.00 71.54 H new ATOM 0 HA ASP A 90 7.140 27.475 -15.961 1.00 14.04 H new ATOM 0 HB2 ASP A 90 6.613 29.916 -15.005 1.00 10.22 H new ATOM 0 HB3 ASP A 90 8.350 29.965 -14.779 1.00 10.22 H new ATOM 1403 N GLY A 91 9.329 27.147 -13.662 1.00 0.11 N ATOM 1404 CA GLY A 91 10.666 26.670 -13.363 1.00 5.15 C ATOM 1405 C GLY A 91 11.516 27.720 -12.675 1.00 43.30 C ATOM 1406 O GLY A 91 12.675 27.925 -13.036 1.00 73.23 O ATOM 0 H GLY A 91 8.697 27.182 -12.862 1.00 0.11 H new ATOM 0 HA2 GLY A 91 10.600 25.787 -12.727 1.00 5.15 H new ATOM 0 HA3 GLY A 91 11.153 26.361 -14.288 1.00 5.15 H new ATOM 1410 N ALA A 92 10.939 28.389 -11.682 1.00 42.11 N ATOM 1411 CA ALA A 92 11.651 29.424 -10.942 1.00 65.45 C ATOM 1412 C ALA A 92 11.185 29.481 -9.492 1.00 23.33 C ATOM 1413 O ALA A 92 11.761 28.831 -8.620 1.00 31.32 O ATOM 1414 CB ALA A 92 11.463 30.776 -11.613 1.00 42.31 C ATOM 0 H ALA A 92 9.980 28.233 -11.371 1.00 42.11 H new ATOM 0 HA ALA A 92 12.712 29.174 -10.945 1.00 65.45 H new ATOM 0 HB1 ALA A 92 12.000 31.539 -11.050 1.00 42.31 H new ATOM 0 HB2 ALA A 92 11.852 30.735 -12.630 1.00 42.31 H new ATOM 0 HB3 ALA A 92 10.402 31.024 -11.640 1.00 42.31 H new ATOM 1420 N GLU A 93 10.140 30.263 -9.241 1.00 41.11 N ATOM 1421 CA GLU A 93 9.599 30.405 -7.895 1.00 12.44 C ATOM 1422 C GLU A 93 8.369 31.309 -7.895 1.00 70.23 C ATOM 1423 O GLU A 93 8.484 32.532 -7.971 1.00 22.31 O ATOM 1424 CB GLU A 93 10.661 30.973 -6.951 1.00 63.30 C ATOM 1425 CG GLU A 93 10.335 30.779 -5.480 1.00 30.52 C ATOM 1426 CD GLU A 93 11.575 30.736 -4.608 1.00 32.11 C ATOM 1427 OE1 GLU A 93 12.616 30.233 -5.080 1.00 13.02 O ATOM 1428 OE2 GLU A 93 11.504 31.206 -3.453 1.00 14.10 O ATOM 0 H GLU A 93 9.652 30.808 -9.952 1.00 41.11 H new ATOM 0 HA GLU A 93 9.303 29.416 -7.545 1.00 12.44 H new ATOM 0 HB2 GLU A 93 11.618 30.499 -7.168 1.00 63.30 H new ATOM 0 HB3 GLU A 93 10.780 32.038 -7.151 1.00 63.30 H new ATOM 0 HG2 GLU A 93 9.688 31.590 -5.145 1.00 30.52 H new ATOM 0 HG3 GLU A 93 9.775 29.852 -5.355 1.00 30.52 H new ATOM 1435 N ALA A 94 7.192 30.697 -7.811 1.00 63.32 N ATOM 1436 CA ALA A 94 5.941 31.445 -7.801 1.00 22.44 C ATOM 1437 C ALA A 94 5.593 31.912 -6.392 1.00 2.44 C ATOM 1438 O ALA A 94 5.029 32.991 -6.207 1.00 44.20 O ATOM 1439 CB ALA A 94 4.814 30.596 -8.370 1.00 63.15 C ATOM 0 H ALA A 94 7.079 29.685 -7.749 1.00 63.32 H new ATOM 0 HA ALA A 94 6.069 32.328 -8.428 1.00 22.44 H new ATOM 0 HB1 ALA A 94 3.886 31.167 -8.356 1.00 63.15 H new ATOM 0 HB2 ALA A 94 5.052 30.315 -9.396 1.00 63.15 H new ATOM 0 HB3 ALA A 94 4.695 29.697 -7.766 1.00 63.15 H new ATOM 1445 N ASP A 95 5.932 31.094 -5.401 1.00 52.42 N ATOM 1446 CA ASP A 95 5.655 31.425 -4.008 1.00 62.01 C ATOM 1447 C ASP A 95 5.667 30.171 -3.139 1.00 40.04 C ATOM 1448 O ASP A 95 5.929 29.070 -3.623 1.00 63.32 O ATOM 1449 CB ASP A 95 4.304 32.131 -3.888 1.00 11.12 C ATOM 1450 CG ASP A 95 4.447 33.633 -3.741 1.00 54.34 C ATOM 1451 OD1 ASP A 95 5.429 34.078 -3.110 1.00 73.34 O ATOM 1452 OD2 ASP A 95 3.577 34.365 -4.258 1.00 73.35 O ATOM 0 H ASP A 95 6.399 30.197 -5.537 1.00 52.42 H new ATOM 0 HA ASP A 95 6.439 32.096 -3.657 1.00 62.01 H new ATOM 0 HB2 ASP A 95 3.703 31.911 -4.770 1.00 11.12 H new ATOM 0 HB3 ASP A 95 3.765 31.734 -3.028 1.00 11.12 H new ATOM 1457 N LYS A 96 5.382 30.346 -1.853 1.00 62.34 N ATOM 1458 CA LYS A 96 5.359 29.229 -0.916 1.00 4.32 C ATOM 1459 C LYS A 96 4.117 29.286 -0.033 1.00 21.15 C ATOM 1460 O LYS A 96 3.371 30.265 -0.055 1.00 70.22 O ATOM 1461 CB LYS A 96 6.618 29.242 -0.045 1.00 60.13 C ATOM 1462 CG LYS A 96 6.750 30.486 0.816 1.00 52.34 C ATOM 1463 CD LYS A 96 7.812 31.429 0.274 1.00 34.14 C ATOM 1464 CE LYS A 96 9.203 31.026 0.738 1.00 1.44 C ATOM 1465 NZ LYS A 96 10.017 32.207 1.141 1.00 34.10 N ATOM 0 H LYS A 96 5.164 31.251 -1.436 1.00 62.34 H new ATOM 0 HA LYS A 96 5.332 28.304 -1.492 1.00 4.32 H new ATOM 0 HB2 LYS A 96 6.612 28.363 0.600 1.00 60.13 H new ATOM 0 HB3 LYS A 96 7.495 29.160 -0.687 1.00 60.13 H new ATOM 0 HG2 LYS A 96 5.791 31.003 0.860 1.00 52.34 H new ATOM 0 HG3 LYS A 96 7.004 30.198 1.836 1.00 52.34 H new ATOM 0 HD2 LYS A 96 7.777 31.431 -0.815 1.00 34.14 H new ATOM 0 HD3 LYS A 96 7.598 32.446 0.602 1.00 34.14 H new ATOM 0 HE2 LYS A 96 9.120 30.338 1.579 1.00 1.44 H new ATOM 0 HE3 LYS A 96 9.712 30.490 -0.063 1.00 1.44 H new ATOM 0 HZ1 LYS A 96 10.958 31.891 1.451 1.00 34.10 H new ATOM 0 HZ2 LYS A 96 10.118 32.852 0.331 1.00 34.10 H new ATOM 0 HZ3 LYS A 96 9.544 32.704 1.923 1.00 34.10 H new ATOM 1479 N VAL A 97 3.902 28.230 0.746 1.00 14.43 N ATOM 1480 CA VAL A 97 2.751 28.161 1.639 1.00 1.33 C ATOM 1481 C VAL A 97 3.122 27.503 2.963 1.00 32.42 C ATOM 1482 O VAL A 97 3.656 28.151 3.863 1.00 22.54 O ATOM 1483 CB VAL A 97 1.589 27.381 0.998 1.00 73.53 C ATOM 1484 CG1 VAL A 97 0.531 27.046 2.039 1.00 64.44 C ATOM 1485 CG2 VAL A 97 0.985 28.174 -0.152 1.00 30.55 C ATOM 0 H VAL A 97 4.509 27.411 0.777 1.00 14.43 H new ATOM 0 HA VAL A 97 2.431 29.187 1.823 1.00 1.33 H new ATOM 0 HB VAL A 97 1.980 26.445 0.598 1.00 73.53 H new ATOM 0 HG11 VAL A 97 -0.282 26.495 1.567 1.00 64.44 H new ATOM 0 HG12 VAL A 97 0.975 26.435 2.825 1.00 64.44 H new ATOM 0 HG13 VAL A 97 0.141 27.968 2.471 1.00 64.44 H new ATOM 0 HG21 VAL A 97 0.165 27.608 -0.593 1.00 30.55 H new ATOM 0 HG22 VAL A 97 0.609 29.127 0.221 1.00 30.55 H new ATOM 0 HG23 VAL A 97 1.748 28.357 -0.908 1.00 30.55 H new ATOM 1495 N VAL A 98 2.835 26.209 3.075 1.00 10.43 N ATOM 1496 CA VAL A 98 3.140 25.461 4.289 1.00 14.20 C ATOM 1497 C VAL A 98 2.382 24.139 4.324 1.00 33.12 C ATOM 1498 O VAL A 98 1.174 24.097 4.094 1.00 11.20 O ATOM 1499 CB VAL A 98 2.792 26.273 5.551 1.00 42.20 C ATOM 1500 CG1 VAL A 98 2.158 25.378 6.604 1.00 22.25 C ATOM 1501 CG2 VAL A 98 4.033 26.960 6.100 1.00 3.23 C ATOM 0 H VAL A 98 2.392 25.658 2.340 1.00 10.43 H new ATOM 0 HA VAL A 98 4.212 25.262 4.278 1.00 14.20 H new ATOM 0 HB VAL A 98 2.069 27.042 5.280 1.00 42.20 H new ATOM 0 HG11 VAL A 98 1.919 25.969 7.488 1.00 22.25 H new ATOM 0 HG12 VAL A 98 1.245 24.937 6.205 1.00 22.25 H new ATOM 0 HG13 VAL A 98 2.855 24.585 6.875 1.00 22.25 H new ATOM 0 HG21 VAL A 98 3.769 27.529 6.991 1.00 3.23 H new ATOM 0 HG22 VAL A 98 4.781 26.210 6.357 1.00 3.23 H new ATOM 0 HG23 VAL A 98 4.439 27.634 5.346 1.00 3.23 H new ATOM 1511 N GLY A 99 3.100 23.059 4.615 1.00 63.51 N ATOM 1512 CA GLY A 99 2.479 21.748 4.675 1.00 12.55 C ATOM 1513 C GLY A 99 1.724 21.524 5.971 1.00 50.23 C ATOM 1514 O GLY A 99 1.857 20.475 6.601 1.00 53.44 O ATOM 0 H GLY A 99 4.101 23.068 4.810 1.00 63.51 H new ATOM 0 HA2 GLY A 99 1.794 21.635 3.835 1.00 12.55 H new ATOM 0 HA3 GLY A 99 3.246 20.981 4.567 1.00 12.55 H new ATOM 1518 N ALA A 100 0.931 22.513 6.370 1.00 33.22 N ATOM 1519 CA ALA A 100 0.152 22.418 7.599 1.00 52.34 C ATOM 1520 C ALA A 100 -1.016 23.398 7.585 1.00 54.43 C ATOM 1521 O ALA A 100 -1.585 23.716 8.630 1.00 60.15 O ATOM 1522 CB ALA A 100 1.040 22.670 8.808 1.00 43.33 C ATOM 0 H ALA A 100 0.811 23.389 5.861 1.00 33.22 H new ATOM 0 HA ALA A 100 -0.255 21.409 7.665 1.00 52.34 H new ATOM 0 HB1 ALA A 100 0.445 22.596 9.718 1.00 43.33 H new ATOM 0 HB2 ALA A 100 1.838 21.928 8.835 1.00 43.33 H new ATOM 0 HB3 ALA A 100 1.474 23.667 8.739 1.00 43.33 H new ATOM 1528 N ARG A 101 -1.369 23.875 6.395 1.00 2.02 N ATOM 1529 CA ARG A 101 -2.468 24.821 6.246 1.00 32.13 C ATOM 1530 C ARG A 101 -3.513 24.291 5.269 1.00 61.44 C ATOM 1531 O ARG A 101 -3.334 24.363 4.053 1.00 73.24 O ATOM 1532 CB ARG A 101 -1.943 26.174 5.764 1.00 40.22 C ATOM 1533 CG ARG A 101 -1.787 27.199 6.876 1.00 61.43 C ATOM 1534 CD ARG A 101 -0.732 26.770 7.884 1.00 35.11 C ATOM 1535 NE ARG A 101 -0.555 27.758 8.945 1.00 55.34 N ATOM 1536 CZ ARG A 101 0.164 28.866 8.804 1.00 23.13 C ATOM 1537 NH1 ARG A 101 0.771 29.125 7.654 1.00 14.10 N ATOM 1538 NH2 ARG A 101 0.278 29.717 9.816 1.00 42.23 N ATOM 0 H ARG A 101 -0.909 23.621 5.520 1.00 2.02 H new ATOM 0 HA ARG A 101 -2.939 24.948 7.221 1.00 32.13 H new ATOM 0 HB2 ARG A 101 -0.978 26.028 5.279 1.00 40.22 H new ATOM 0 HB3 ARG A 101 -2.623 26.570 5.009 1.00 40.22 H new ATOM 0 HG2 ARG A 101 -1.512 28.163 6.448 1.00 61.43 H new ATOM 0 HG3 ARG A 101 -2.742 27.336 7.383 1.00 61.43 H new ATOM 0 HD2 ARG A 101 -1.017 25.814 8.323 1.00 35.11 H new ATOM 0 HD3 ARG A 101 0.217 26.615 7.371 1.00 35.11 H new ATOM 0 HE ARG A 101 -1.008 27.588 9.843 1.00 55.34 H new ATOM 0 HH11 ARG A 101 0.687 28.473 6.874 1.00 14.10 H new ATOM 0 HH12 ARG A 101 1.322 29.977 7.549 1.00 14.10 H new ATOM 0 HH21 ARG A 101 -0.187 29.520 10.703 1.00 42.23 H new ATOM 0 HH22 ARG A 101 0.830 30.568 9.707 1.00 42.23 H new ATOM 1552 N LYS A 102 -4.604 23.757 5.808 1.00 3.21 N ATOM 1553 CA LYS A 102 -5.678 23.215 4.985 1.00 12.11 C ATOM 1554 C LYS A 102 -6.536 24.334 4.404 1.00 41.44 C ATOM 1555 O LYS A 102 -7.571 24.080 3.788 1.00 34.03 O ATOM 1556 CB LYS A 102 -6.550 22.266 5.810 1.00 75.45 C ATOM 1557 CG LYS A 102 -7.038 21.057 5.030 1.00 31.52 C ATOM 1558 CD LYS A 102 -8.358 21.338 4.332 1.00 1.30 C ATOM 1559 CE LYS A 102 -9.356 20.211 4.550 1.00 2.35 C ATOM 1560 NZ LYS A 102 -10.413 20.589 5.529 1.00 20.50 N ATOM 0 H LYS A 102 -4.767 23.688 6.812 1.00 3.21 H new ATOM 0 HA LYS A 102 -5.227 22.662 4.161 1.00 12.11 H new ATOM 0 HB2 LYS A 102 -5.983 21.925 6.676 1.00 75.45 H new ATOM 0 HB3 LYS A 102 -7.412 22.815 6.190 1.00 75.45 H new ATOM 0 HG2 LYS A 102 -6.288 20.773 4.291 1.00 31.52 H new ATOM 0 HG3 LYS A 102 -7.156 20.210 5.706 1.00 31.52 H new ATOM 0 HD2 LYS A 102 -8.776 22.273 4.705 1.00 1.30 H new ATOM 0 HD3 LYS A 102 -8.185 21.470 3.264 1.00 1.30 H new ATOM 0 HE2 LYS A 102 -9.819 19.947 3.599 1.00 2.35 H new ATOM 0 HE3 LYS A 102 -8.831 19.325 4.906 1.00 2.35 H new ATOM 0 HZ1 LYS A 102 -11.074 19.795 5.650 1.00 20.50 H new ATOM 0 HZ2 LYS A 102 -9.974 20.817 6.444 1.00 20.50 H new ATOM 0 HZ3 LYS A 102 -10.931 21.420 5.177 1.00 20.50 H new ATOM 1574 N ASP A 103 -6.098 25.573 4.601 1.00 24.22 N ATOM 1575 CA ASP A 103 -6.824 26.731 4.094 1.00 11.00 C ATOM 1576 C ASP A 103 -5.896 27.655 3.312 1.00 62.01 C ATOM 1577 O ASP A 103 -6.338 28.639 2.719 1.00 74.00 O ATOM 1578 CB ASP A 103 -7.474 27.497 5.247 1.00 3.53 C ATOM 1579 CG ASP A 103 -6.589 28.610 5.774 1.00 40.31 C ATOM 1580 OD1 ASP A 103 -5.472 28.308 6.244 1.00 10.54 O ATOM 1581 OD2 ASP A 103 -7.013 29.783 5.715 1.00 51.14 O ATOM 0 H ASP A 103 -5.243 25.801 5.109 1.00 24.22 H new ATOM 0 HA ASP A 103 -7.603 26.374 3.420 1.00 11.00 H new ATOM 0 HB2 ASP A 103 -8.422 27.918 4.911 1.00 3.53 H new ATOM 0 HB3 ASP A 103 -7.702 26.804 6.057 1.00 3.53 H new ATOM 1586 N ASP A 104 -4.607 27.332 3.316 1.00 12.01 N ATOM 1587 CA ASP A 104 -3.616 28.133 2.607 1.00 20.20 C ATOM 1588 C ASP A 104 -3.028 27.355 1.434 1.00 42.44 C ATOM 1589 O ASP A 104 -2.450 27.939 0.515 1.00 11.05 O ATOM 1590 CB ASP A 104 -2.500 28.563 3.560 1.00 11.24 C ATOM 1591 CG ASP A 104 -1.959 29.942 3.234 1.00 35.53 C ATOM 1592 OD1 ASP A 104 -1.516 30.149 2.085 1.00 25.53 O ATOM 1593 OD2 ASP A 104 -1.981 30.813 4.128 1.00 52.53 O ATOM 0 H ASP A 104 -4.224 26.521 3.802 1.00 12.01 H new ATOM 0 HA ASP A 104 -4.113 29.022 2.218 1.00 20.20 H new ATOM 0 HB2 ASP A 104 -2.877 28.556 4.583 1.00 11.24 H new ATOM 0 HB3 ASP A 104 -1.688 27.837 3.515 1.00 11.24 H new ATOM 1598 N LEU A 105 -3.177 26.036 1.470 1.00 34.05 N ATOM 1599 CA LEU A 105 -2.660 25.177 0.411 1.00 51.45 C ATOM 1600 C LEU A 105 -3.605 25.161 -0.787 1.00 32.24 C ATOM 1601 O LEU A 105 -3.309 25.740 -1.831 1.00 5.20 O ATOM 1602 CB LEU A 105 -2.456 23.755 0.934 1.00 72.53 C ATOM 1603 CG LEU A 105 -2.130 22.693 -0.118 1.00 12.23 C ATOM 1604 CD1 LEU A 105 -0.736 22.913 -0.684 1.00 50.30 C ATOM 1605 CD2 LEU A 105 -2.252 21.298 0.477 1.00 21.14 C ATOM 0 H LEU A 105 -3.652 25.537 2.222 1.00 34.05 H new ATOM 0 HA LEU A 105 -1.700 25.579 0.087 1.00 51.45 H new ATOM 0 HB2 LEU A 105 -1.649 23.771 1.667 1.00 72.53 H new ATOM 0 HB3 LEU A 105 -3.360 23.450 1.461 1.00 72.53 H new ATOM 0 HG LEU A 105 -2.849 22.783 -0.932 1.00 12.23 H new ATOM 0 HD11 LEU A 105 -0.522 22.148 -1.431 1.00 50.30 H new ATOM 0 HD12 LEU A 105 -0.683 23.898 -1.148 1.00 50.30 H new ATOM 0 HD13 LEU A 105 -0.003 22.851 0.120 1.00 50.30 H new ATOM 0 HD21 LEU A 105 -2.017 20.555 -0.285 1.00 21.14 H new ATOM 0 HD22 LEU A 105 -1.557 21.196 1.310 1.00 21.14 H new ATOM 0 HD23 LEU A 105 -3.270 21.142 0.833 1.00 21.14 H new ATOM 1617 N GLN A 106 -4.744 24.495 -0.626 1.00 30.23 N ATOM 1618 CA GLN A 106 -5.733 24.405 -1.693 1.00 71.43 C ATOM 1619 C GLN A 106 -6.058 25.786 -2.252 1.00 73.12 C ATOM 1620 O GLN A 106 -6.625 25.909 -3.337 1.00 14.32 O ATOM 1621 CB GLN A 106 -7.009 23.736 -1.180 1.00 33.32 C ATOM 1622 CG GLN A 106 -7.729 24.540 -0.109 1.00 73.15 C ATOM 1623 CD GLN A 106 -6.826 24.907 1.051 1.00 0.13 C ATOM 1624 OE1 GLN A 106 -6.729 26.074 1.433 1.00 70.15 O ATOM 1625 NE2 GLN A 106 -6.158 23.910 1.621 1.00 55.34 N ATOM 0 H GLN A 106 -5.004 24.010 0.233 1.00 30.23 H new ATOM 0 HA GLN A 106 -5.311 23.799 -2.495 1.00 71.43 H new ATOM 0 HB2 GLN A 106 -7.687 23.574 -2.018 1.00 33.32 H new ATOM 0 HB3 GLN A 106 -6.758 22.754 -0.779 1.00 33.32 H new ATOM 0 HG2 GLN A 106 -8.132 25.450 -0.553 1.00 73.15 H new ATOM 0 HG3 GLN A 106 -8.577 23.965 0.263 1.00 73.15 H new ATOM 0 HE21 GLN A 106 -6.268 22.958 1.273 1.00 55.34 H new ATOM 0 HE22 GLN A 106 -5.535 24.097 2.407 1.00 55.34 H new ATOM 1634 N ASN A 107 -5.695 26.822 -1.503 1.00 54.24 N ATOM 1635 CA ASN A 107 -5.950 28.195 -1.924 1.00 3.41 C ATOM 1636 C ASN A 107 -4.835 28.700 -2.836 1.00 14.34 C ATOM 1637 O ASN A 107 -5.064 29.536 -3.711 1.00 71.41 O ATOM 1638 CB ASN A 107 -6.079 29.109 -0.703 1.00 63.05 C ATOM 1639 CG ASN A 107 -5.974 30.578 -1.067 1.00 34.40 C ATOM 1640 OD1 ASN A 107 -6.882 31.143 -1.677 1.00 44.43 O ATOM 1641 ND2 ASN A 107 -4.864 31.202 -0.693 1.00 2.13 N ATOM 0 H ASN A 107 -5.224 26.737 -0.602 1.00 54.24 H new ATOM 0 HA ASN A 107 -6.886 28.210 -2.482 1.00 3.41 H new ATOM 0 HB2 ASN A 107 -7.036 28.926 -0.215 1.00 63.05 H new ATOM 0 HB3 ASN A 107 -5.301 28.860 0.018 1.00 63.05 H new ATOM 0 HD21 ASN A 107 -4.737 32.191 -0.910 1.00 2.13 H new ATOM 0 HD22 ASN A 107 -4.138 30.693 -0.189 1.00 2.13 H new ATOM 1648 N THR A 108 -3.627 28.187 -2.625 1.00 12.15 N ATOM 1649 CA THR A 108 -2.477 28.586 -3.426 1.00 21.52 C ATOM 1650 C THR A 108 -2.423 27.807 -4.735 1.00 51.25 C ATOM 1651 O THR A 108 -2.111 28.366 -5.788 1.00 24.44 O ATOM 1652 CB THR A 108 -1.158 28.372 -2.660 1.00 64.41 C ATOM 1653 OG1 THR A 108 -1.020 29.362 -1.635 1.00 42.13 O ATOM 1654 CG2 THR A 108 0.033 28.442 -3.604 1.00 4.01 C ATOM 0 H THR A 108 -3.420 27.494 -1.906 1.00 12.15 H new ATOM 0 HA THR A 108 -2.595 29.648 -3.642 1.00 21.52 H new ATOM 0 HB THR A 108 -1.184 27.381 -2.206 1.00 64.41 H new ATOM 0 HG1 THR A 108 -1.455 29.047 -0.815 1.00 42.13 H new ATOM 0 HG21 THR A 108 0.953 28.288 -3.041 1.00 4.01 H new ATOM 0 HG22 THR A 108 -0.060 27.668 -4.365 1.00 4.01 H new ATOM 0 HG23 THR A 108 0.060 29.421 -4.083 1.00 4.01 H new ATOM 1662 N ILE A 109 -2.730 26.516 -4.664 1.00 40.42 N ATOM 1663 CA ILE A 109 -2.718 25.663 -5.845 1.00 70.45 C ATOM 1664 C ILE A 109 -3.723 26.147 -6.885 1.00 13.55 C ATOM 1665 O ILE A 109 -3.575 25.884 -8.078 1.00 1.40 O ATOM 1666 CB ILE A 109 -3.034 24.199 -5.485 1.00 75.04 C ATOM 1667 CG1 ILE A 109 -1.793 23.512 -4.912 1.00 14.34 C ATOM 1668 CG2 ILE A 109 -3.543 23.451 -6.709 1.00 23.44 C ATOM 1669 CD1 ILE A 109 -1.588 23.771 -3.436 1.00 3.25 C ATOM 0 H ILE A 109 -2.990 26.038 -3.801 1.00 40.42 H new ATOM 0 HA ILE A 109 -1.713 25.718 -6.263 1.00 70.45 H new ATOM 0 HB ILE A 109 -3.815 24.188 -4.725 1.00 75.04 H new ATOM 0 HG12 ILE A 109 -1.874 22.438 -5.077 1.00 14.34 H new ATOM 0 HG13 ILE A 109 -0.914 23.853 -5.458 1.00 14.34 H new ATOM 0 HG21 ILE A 109 -3.762 22.418 -6.439 1.00 23.44 H new ATOM 0 HG22 ILE A 109 -4.450 23.930 -7.077 1.00 23.44 H new ATOM 0 HG23 ILE A 109 -2.782 23.469 -7.489 1.00 23.44 H new ATOM 0 HD11 ILE A 109 -0.690 23.254 -3.097 1.00 3.25 H new ATOM 0 HD12 ILE A 109 -1.475 24.842 -3.267 1.00 3.25 H new ATOM 0 HD13 ILE A 109 -2.450 23.404 -2.879 1.00 3.25 H new ATOM 1681 N VAL A 110 -4.747 26.859 -6.423 1.00 3.22 N ATOM 1682 CA VAL A 110 -5.776 27.384 -7.312 1.00 42.31 C ATOM 1683 C VAL A 110 -5.292 28.638 -8.032 1.00 73.04 C ATOM 1684 O VAL A 110 -5.717 28.928 -9.151 1.00 62.32 O ATOM 1685 CB VAL A 110 -7.068 27.714 -6.542 1.00 12.21 C ATOM 1686 CG1 VAL A 110 -7.636 26.462 -5.891 1.00 11.55 C ATOM 1687 CG2 VAL A 110 -6.808 28.795 -5.503 1.00 62.50 C ATOM 0 H VAL A 110 -4.885 27.085 -5.438 1.00 3.22 H new ATOM 0 HA VAL A 110 -5.988 26.606 -8.045 1.00 42.31 H new ATOM 0 HB VAL A 110 -7.806 28.093 -7.250 1.00 12.21 H new ATOM 0 HG11 VAL A 110 -8.549 26.715 -5.351 1.00 11.55 H new ATOM 0 HG12 VAL A 110 -7.862 25.723 -6.660 1.00 11.55 H new ATOM 0 HG13 VAL A 110 -6.905 26.050 -5.195 1.00 11.55 H new ATOM 0 HG21 VAL A 110 -7.732 29.016 -4.968 1.00 62.50 H new ATOM 0 HG22 VAL A 110 -6.054 28.447 -4.797 1.00 62.50 H new ATOM 0 HG23 VAL A 110 -6.451 29.698 -5.999 1.00 62.50 H new ATOM 1697 N LYS A 111 -4.401 29.379 -7.384 1.00 3.52 N ATOM 1698 CA LYS A 111 -3.856 30.602 -7.962 1.00 14.42 C ATOM 1699 C LYS A 111 -2.725 30.287 -8.935 1.00 2.51 C ATOM 1700 O LYS A 111 -2.474 31.042 -9.876 1.00 24.44 O ATOM 1701 CB LYS A 111 -3.349 31.531 -6.857 1.00 10.45 C ATOM 1702 CG LYS A 111 -1.856 31.416 -6.602 1.00 71.43 C ATOM 1703 CD LYS A 111 -1.505 31.771 -5.167 1.00 55.53 C ATOM 1704 CE LYS A 111 -1.168 33.248 -5.026 1.00 30.23 C ATOM 1705 NZ LYS A 111 0.127 33.456 -4.320 1.00 72.42 N ATOM 0 H LYS A 111 -4.040 29.154 -6.457 1.00 3.52 H new ATOM 0 HA LYS A 111 -4.654 31.102 -8.510 1.00 14.42 H new ATOM 0 HB2 LYS A 111 -3.585 32.561 -7.123 1.00 10.45 H new ATOM 0 HB3 LYS A 111 -3.885 31.310 -5.934 1.00 10.45 H new ATOM 0 HG2 LYS A 111 -1.527 30.399 -6.817 1.00 71.43 H new ATOM 0 HG3 LYS A 111 -1.318 32.076 -7.283 1.00 71.43 H new ATOM 0 HD2 LYS A 111 -2.342 31.524 -4.514 1.00 55.53 H new ATOM 0 HD3 LYS A 111 -0.657 31.170 -4.839 1.00 55.53 H new ATOM 0 HE2 LYS A 111 -1.121 33.706 -6.014 1.00 30.23 H new ATOM 0 HE3 LYS A 111 -1.965 33.752 -4.479 1.00 30.23 H new ATOM 0 HZ1 LYS A 111 0.321 34.475 -4.244 1.00 72.42 H new ATOM 0 HZ2 LYS A 111 0.074 33.042 -3.368 1.00 72.42 H new ATOM 0 HZ3 LYS A 111 0.892 32.997 -4.855 1.00 72.42 H new ATOM 1719 N HIS A 112 -2.046 29.168 -8.704 1.00 3.43 N ATOM 1720 CA HIS A 112 -0.942 28.753 -9.562 1.00 22.12 C ATOM 1721 C HIS A 112 -1.388 27.661 -10.530 1.00 5.11 C ATOM 1722 O HIS A 112 -1.101 27.723 -11.726 1.00 35.23 O ATOM 1723 CB HIS A 112 0.230 28.253 -8.716 1.00 14.33 C ATOM 1724 CG HIS A 112 0.650 29.216 -7.648 1.00 24.51 C ATOM 1725 ND1 HIS A 112 1.046 29.003 -6.371 1.00 14.35 N flip ATOM 1726 CD2 HIS A 112 0.695 30.580 -7.840 1.00 13.42 C flip ATOM 1727 CE1 HIS A 112 1.320 30.231 -5.820 1.00 75.02 C flip ATOM 1728 NE2 HIS A 112 1.101 31.166 -6.727 1.00 51.12 N flip ATOM 0 H HIS A 112 -2.241 28.533 -7.930 1.00 3.43 H new ATOM 0 HA HIS A 112 -0.619 29.618 -10.141 1.00 22.12 H new ATOM 0 HB2 HIS A 112 -0.045 27.306 -8.252 1.00 14.33 H new ATOM 0 HB3 HIS A 112 1.080 28.053 -9.369 1.00 14.33 H new ATOM 0 HD1 HIS A 112 1.126 28.099 -5.905 1.00 14.35 H new ATOM 0 HD2 HIS A 112 0.439 31.090 -8.757 1.00 13.42 H new ATOM 0 HE1 HIS A 112 1.659 30.404 -4.809 1.00 75.02 H new ATOM 1736 N VAL A 113 -2.089 26.662 -10.005 1.00 31.51 N ATOM 1737 CA VAL A 113 -2.575 25.556 -10.822 1.00 44.23 C ATOM 1738 C VAL A 113 -4.017 25.787 -11.259 1.00 0.44 C ATOM 1739 O VAL A 113 -4.438 25.324 -12.318 1.00 11.43 O ATOM 1740 CB VAL A 113 -2.487 24.218 -10.065 1.00 71.44 C ATOM 1741 CG1 VAL A 113 -2.595 23.049 -11.033 1.00 20.21 C ATOM 1742 CG2 VAL A 113 -1.195 24.141 -9.266 1.00 41.43 C ATOM 0 H VAL A 113 -2.333 26.595 -9.017 1.00 31.51 H new ATOM 0 HA VAL A 113 -1.935 25.509 -11.703 1.00 44.23 H new ATOM 0 HB VAL A 113 -3.322 24.160 -9.367 1.00 71.44 H new ATOM 0 HG11 VAL A 113 -2.531 22.112 -10.480 1.00 20.21 H new ATOM 0 HG12 VAL A 113 -3.550 23.097 -11.556 1.00 20.21 H new ATOM 0 HG13 VAL A 113 -1.782 23.100 -11.757 1.00 20.21 H new ATOM 0 HG21 VAL A 113 -1.150 23.189 -8.738 1.00 41.43 H new ATOM 0 HG22 VAL A 113 -0.344 24.221 -9.942 1.00 41.43 H new ATOM 0 HG23 VAL A 113 -1.164 24.958 -8.545 1.00 41.43 H new ATOM 1752 N GLY A 114 -4.771 26.508 -10.434 1.00 2.22 N ATOM 1753 CA GLY A 114 -6.159 26.789 -10.752 1.00 4.12 C ATOM 1754 C GLY A 114 -6.308 27.930 -11.738 1.00 41.50 C ATOM 1755 O GLY A 114 -7.390 28.153 -12.281 1.00 4.11 O ATOM 0 H GLY A 114 -4.445 26.902 -9.551 1.00 2.22 H new ATOM 0 HA2 GLY A 114 -6.622 25.893 -11.165 1.00 4.12 H new ATOM 0 HA3 GLY A 114 -6.696 27.032 -9.835 1.00 4.12 H new ATOM 1759 N ALA A 115 -5.219 28.657 -11.969 1.00 72.22 N ATOM 1760 CA ALA A 115 -5.234 29.781 -12.897 1.00 3.12 C ATOM 1761 C ALA A 115 -6.451 30.669 -12.664 1.00 54.10 C ATOM 1762 O ALA A 115 -6.860 31.425 -13.546 1.00 42.31 O ATOM 1763 CB ALA A 115 -5.210 29.280 -14.333 1.00 51.44 C ATOM 0 H ALA A 115 -4.316 28.487 -11.526 1.00 72.22 H new ATOM 0 HA ALA A 115 -4.341 30.380 -12.718 1.00 3.12 H new ATOM 0 HB1 ALA A 115 -5.222 30.130 -15.015 1.00 51.44 H new ATOM 0 HB2 ALA A 115 -4.306 28.694 -14.499 1.00 51.44 H new ATOM 0 HB3 ALA A 115 -6.085 28.656 -14.515 1.00 51.44 H new