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 76 LYS NZ :NH3+ -143:sc= 0.0304 (180deg=-0.0829) USER MOD Set 1.2: A 77 TYR OH : rot 180:sc= 0.16 USER MOD Single : A 11 CYS SG : rot -70:sc= -4.38! USER MOD Single : A 12 HIS : no HD1:sc= -7.72! C(o=-7.7!,f=-9.4!) USER MOD Single : A 13 ASN : amide:sc= -6.52! C(o=-6.5!,f=-12!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN :FLIP amide:sc= -3.94! C(o=-6.7!,f=-3.9!) USER MOD Single : A 21 MET CE :methyl -157:sc= -4.6! (180deg=-7.25!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -170:sc= 0.2 (180deg=0.0945) 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 53 TYR OH : rot 0: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+ 145:sc= 1.22 (180deg=0.373) USER MOD Single : A 78 ASN : amide:sc= -0.421 X(o=-0.42,f=-0.0068) USER MOD Single : A 82 MET CE :methyl 144:sc= -3.94! (180deg=-7.68!) USER MOD Single : A 84 THR OG1 : rot 73:sc= 0.856 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= -14! C(o=-14!,f=-16!) USER MOD Single : A 107 ASN : amide:sc=-0.00418 X(o=-0.0042,f=0) USER MOD Single : A 108 THR OG1 : rot 88:sc= -1.06 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 HIS :FLIP no HE2:sc= -8.77! C(o=-10!,f=-8.8!) USER MOD ----------------------------------------------------------------- ATOM 53 N GLU A 5 2.576 7.274 -6.477 1.00 2.13 N ATOM 54 CA GLU A 5 1.605 7.277 -7.565 1.00 21.15 C ATOM 55 C GLU A 5 1.432 8.681 -8.135 1.00 53.44 C ATOM 56 O GLU A 5 2.370 9.477 -8.152 1.00 61.33 O ATOM 57 CB GLU A 5 0.257 6.743 -7.076 1.00 0.02 C ATOM 58 CG GLU A 5 0.378 5.676 -6.001 1.00 25.01 C ATOM 59 CD GLU A 5 0.906 4.361 -6.541 1.00 71.02 C ATOM 60 OE1 GLU A 5 2.109 4.296 -6.871 1.00 73.42 O ATOM 61 OE2 GLU A 5 0.117 3.398 -6.634 1.00 74.14 O ATOM 0 HA GLU A 5 1.980 6.627 -8.355 1.00 21.15 H new ATOM 0 HB2 GLU A 5 -0.333 7.573 -6.687 1.00 0.02 H new ATOM 0 HB3 GLU A 5 -0.290 6.332 -7.924 1.00 0.02 H new ATOM 0 HG2 GLU A 5 1.041 6.033 -5.213 1.00 25.01 H new ATOM 0 HG3 GLU A 5 -0.599 5.512 -5.546 1.00 25.01 H new ATOM 68 N GLY A 6 0.223 8.979 -8.603 1.00 60.22 N ATOM 69 CA GLY A 6 -0.052 10.286 -9.169 1.00 53.43 C ATOM 70 C GLY A 6 -0.393 11.316 -8.111 1.00 15.24 C ATOM 71 O GLY A 6 -1.142 12.259 -8.369 1.00 73.43 O ATOM 0 H GLY A 6 -0.570 8.338 -8.600 1.00 60.22 H new ATOM 0 HA2 GLY A 6 0.817 10.624 -9.734 1.00 53.43 H new ATOM 0 HA3 GLY A 6 -0.879 10.206 -9.874 1.00 53.43 H new ATOM 75 N VAL A 7 0.156 11.136 -6.913 1.00 54.45 N ATOM 76 CA VAL A 7 -0.095 12.057 -5.811 1.00 52.33 C ATOM 77 C VAL A 7 1.160 12.848 -5.460 1.00 12.15 C ATOM 78 O VAL A 7 2.212 12.669 -6.073 1.00 51.01 O ATOM 79 CB VAL A 7 -0.587 11.311 -4.557 1.00 23.31 C ATOM 80 CG1 VAL A 7 -1.479 10.142 -4.946 1.00 55.42 C ATOM 81 CG2 VAL A 7 0.594 10.836 -3.723 1.00 71.45 C ATOM 0 H VAL A 7 0.777 10.361 -6.682 1.00 54.45 H new ATOM 0 HA VAL A 7 -0.873 12.744 -6.143 1.00 52.33 H new ATOM 0 HB VAL A 7 -1.176 12.001 -3.953 1.00 23.31 H new ATOM 0 HG11 VAL A 7 -1.817 9.627 -4.047 1.00 55.42 H new ATOM 0 HG12 VAL A 7 -2.343 10.512 -5.499 1.00 55.42 H new ATOM 0 HG13 VAL A 7 -0.917 9.448 -5.572 1.00 55.42 H new ATOM 0 HG21 VAL A 7 0.228 10.311 -2.841 1.00 71.45 H new ATOM 0 HG22 VAL A 7 1.211 10.162 -4.317 1.00 71.45 H new ATOM 0 HG23 VAL A 7 1.190 11.695 -3.413 1.00 71.45 H new ATOM 91 N VAL A 8 1.042 13.724 -4.467 1.00 12.14 N ATOM 92 CA VAL A 8 2.167 14.542 -4.031 1.00 43.21 C ATOM 93 C VAL A 8 3.394 13.683 -3.747 1.00 31.44 C ATOM 94 O VAL A 8 3.538 13.131 -2.655 1.00 42.30 O ATOM 95 CB VAL A 8 1.817 15.352 -2.768 1.00 63.24 C ATOM 96 CG1 VAL A 8 0.627 16.262 -3.030 1.00 72.52 C ATOM 97 CG2 VAL A 8 1.540 14.420 -1.599 1.00 34.15 C ATOM 0 H VAL A 8 0.178 13.885 -3.949 1.00 12.14 H new ATOM 0 HA VAL A 8 2.390 15.232 -4.845 1.00 43.21 H new ATOM 0 HB VAL A 8 2.671 15.978 -2.509 1.00 63.24 H new ATOM 0 HG11 VAL A 8 0.394 16.826 -2.127 1.00 72.52 H new ATOM 0 HG12 VAL A 8 0.868 16.953 -3.837 1.00 72.52 H new ATOM 0 HG13 VAL A 8 -0.236 15.660 -3.314 1.00 72.52 H new ATOM 0 HG21 VAL A 8 1.294 15.008 -0.715 1.00 34.15 H new ATOM 0 HG22 VAL A 8 0.702 13.767 -1.845 1.00 34.15 H new ATOM 0 HG23 VAL A 8 2.424 13.815 -1.398 1.00 34.15 H new ATOM 107 N ILE A 9 4.275 13.573 -4.735 1.00 40.31 N ATOM 108 CA ILE A 9 5.491 12.782 -4.590 1.00 55.02 C ATOM 109 C ILE A 9 6.139 13.015 -3.230 1.00 23.10 C ATOM 110 O ILE A 9 5.769 13.937 -2.504 1.00 35.42 O ATOM 111 CB ILE A 9 6.511 13.110 -5.696 1.00 40.10 C ATOM 112 CG1 ILE A 9 5.833 13.092 -7.068 1.00 22.44 C ATOM 113 CG2 ILE A 9 7.669 12.124 -5.658 1.00 33.20 C ATOM 114 CD1 ILE A 9 5.016 11.844 -7.321 1.00 14.42 C ATOM 0 H ILE A 9 4.170 14.022 -5.645 1.00 40.31 H new ATOM 0 HA ILE A 9 5.199 11.735 -4.676 1.00 55.02 H new ATOM 0 HB ILE A 9 6.906 14.111 -5.520 1.00 40.10 H new ATOM 0 HG12 ILE A 9 5.186 13.965 -7.156 1.00 22.44 H new ATOM 0 HG13 ILE A 9 6.595 13.181 -7.842 1.00 22.44 H new ATOM 0 HG21 ILE A 9 8.381 12.369 -6.446 1.00 33.20 H new ATOM 0 HG22 ILE A 9 8.165 12.182 -4.689 1.00 33.20 H new ATOM 0 HG23 ILE A 9 7.291 11.113 -5.812 1.00 33.20 H new ATOM 0 HD11 ILE A 9 4.564 11.899 -8.312 1.00 14.42 H new ATOM 0 HD12 ILE A 9 5.663 10.968 -7.265 1.00 14.42 H new ATOM 0 HD13 ILE A 9 4.231 11.764 -6.569 1.00 14.42 H new ATOM 126 N ALA A 10 7.111 12.174 -2.892 1.00 62.23 N ATOM 127 CA ALA A 10 7.815 12.290 -1.621 1.00 52.21 C ATOM 128 C ALA A 10 9.319 12.120 -1.808 1.00 75.43 C ATOM 129 O ALA A 10 9.936 11.250 -1.192 1.00 13.12 O ATOM 130 CB ALA A 10 7.285 11.266 -0.629 1.00 31.41 C ATOM 0 H ALA A 10 7.429 11.404 -3.481 1.00 62.23 H new ATOM 0 HA ALA A 10 7.636 13.290 -1.225 1.00 52.21 H new ATOM 0 HB1 ALA A 10 7.820 11.364 0.316 1.00 31.41 H new ATOM 0 HB2 ALA A 10 6.221 11.437 -0.463 1.00 31.41 H new ATOM 0 HB3 ALA A 10 7.434 10.262 -1.028 1.00 31.41 H new ATOM 136 N CYS A 11 9.902 12.953 -2.662 1.00 51.41 N ATOM 137 CA CYS A 11 11.334 12.893 -2.932 1.00 2.55 C ATOM 138 C CYS A 11 12.124 12.715 -1.639 1.00 14.13 C ATOM 139 O CYS A 11 11.618 12.983 -0.548 1.00 43.52 O ATOM 140 CB CYS A 11 11.792 14.162 -3.652 1.00 41.40 C ATOM 141 SG CYS A 11 13.531 14.578 -3.381 1.00 52.33 S ATOM 0 H CYS A 11 9.405 13.678 -3.180 1.00 51.41 H new ATOM 0 HA CYS A 11 11.522 12.032 -3.573 1.00 2.55 H new ATOM 0 HB2 CYS A 11 11.621 14.042 -4.722 1.00 41.40 H new ATOM 0 HB3 CYS A 11 11.174 14.997 -3.322 1.00 41.40 H new ATOM 0 HG CYS A 11 13.697 14.970 -2.153 1.00 52.33 H new ATOM 147 N HIS A 12 13.365 12.259 -1.768 1.00 24.11 N ATOM 148 CA HIS A 12 14.225 12.043 -0.609 1.00 40.34 C ATOM 149 C HIS A 12 15.667 11.797 -1.041 1.00 45.44 C ATOM 150 O HIS A 12 16.368 10.972 -0.457 1.00 3.30 O ATOM 151 CB HIS A 12 13.718 10.859 0.215 1.00 43.42 C ATOM 152 CG HIS A 12 13.531 11.177 1.667 1.00 72.35 C ATOM 153 ND1 HIS A 12 14.279 10.594 2.667 1.00 24.21 N ATOM 154 CD2 HIS A 12 12.674 12.024 2.284 1.00 24.52 C ATOM 155 CE1 HIS A 12 13.890 11.067 3.838 1.00 64.15 C ATOM 156 NE2 HIS A 12 12.918 11.937 3.633 1.00 73.31 N ATOM 0 H HIS A 12 13.798 12.032 -2.663 1.00 24.11 H new ATOM 0 HA HIS A 12 14.197 12.942 0.006 1.00 40.34 H new ATOM 0 HB2 HIS A 12 12.769 10.518 -0.199 1.00 43.42 H new ATOM 0 HB3 HIS A 12 14.422 10.033 0.120 1.00 43.42 H new ATOM 0 HD2 HIS A 12 11.936 12.651 1.805 1.00 24.52 H new ATOM 0 HE1 HIS A 12 14.298 10.789 4.799 1.00 64.15 H new ATOM 0 HE2 HIS A 12 12.428 12.460 4.359 1.00 73.31 H new ATOM 164 N ASN A 13 16.104 12.519 -2.069 1.00 75.30 N ATOM 165 CA ASN A 13 17.462 12.378 -2.580 1.00 61.52 C ATOM 166 C ASN A 13 17.677 13.262 -3.805 1.00 22.51 C ATOM 167 O ASN A 13 18.493 12.951 -4.673 1.00 40.22 O ATOM 168 CB ASN A 13 17.746 10.917 -2.935 1.00 64.34 C ATOM 169 CG ASN A 13 16.560 10.241 -3.596 1.00 44.14 C ATOM 170 OD1 ASN A 13 15.528 10.017 -2.965 1.00 12.55 O ATOM 171 ND2 ASN A 13 16.704 9.912 -4.875 1.00 10.31 N ATOM 0 H ASN A 13 15.537 13.207 -2.564 1.00 75.30 H new ATOM 0 HA ASN A 13 18.153 12.696 -1.799 1.00 61.52 H new ATOM 0 HB2 ASN A 13 18.606 10.869 -3.602 1.00 64.34 H new ATOM 0 HB3 ASN A 13 18.014 10.372 -2.030 1.00 64.34 H new ATOM 0 HD21 ASN A 13 15.940 9.454 -5.373 1.00 10.31 H new ATOM 0 HD22 ASN A 13 17.578 10.117 -5.359 1.00 10.31 H new ATOM 178 N LYS A 14 16.940 14.365 -3.868 1.00 10.21 N ATOM 179 CA LYS A 14 17.050 15.297 -4.984 1.00 71.42 C ATOM 180 C LYS A 14 16.605 14.640 -6.287 1.00 22.51 C ATOM 181 O LYS A 14 15.560 14.981 -6.840 1.00 34.00 O ATOM 182 CB LYS A 14 18.490 15.796 -5.118 1.00 42.24 C ATOM 183 CG LYS A 14 18.860 16.214 -6.531 1.00 61.42 C ATOM 184 CD LYS A 14 19.786 17.419 -6.532 1.00 72.44 C ATOM 185 CE LYS A 14 19.087 18.659 -5.997 1.00 31.23 C ATOM 186 NZ LYS A 14 19.375 19.860 -6.828 1.00 53.31 N ATOM 0 H LYS A 14 16.259 14.636 -3.159 1.00 10.21 H new ATOM 0 HA LYS A 14 16.395 16.145 -4.783 1.00 71.42 H new ATOM 0 HB2 LYS A 14 18.636 16.643 -4.448 1.00 42.24 H new ATOM 0 HB3 LYS A 14 19.170 15.010 -4.791 1.00 42.24 H new ATOM 0 HG2 LYS A 14 19.344 15.382 -7.043 1.00 61.42 H new ATOM 0 HG3 LYS A 14 17.955 16.449 -7.091 1.00 61.42 H new ATOM 0 HD2 LYS A 14 20.665 17.204 -5.924 1.00 72.44 H new ATOM 0 HD3 LYS A 14 20.138 17.608 -7.546 1.00 72.44 H new ATOM 0 HE2 LYS A 14 18.011 18.486 -5.969 1.00 31.23 H new ATOM 0 HE3 LYS A 14 19.407 18.842 -4.971 1.00 31.23 H new ATOM 0 HZ1 LYS A 14 18.880 20.684 -6.430 1.00 53.31 H new ATOM 0 HZ2 LYS A 14 20.399 20.041 -6.834 1.00 53.31 H new ATOM 0 HZ3 LYS A 14 19.047 19.696 -7.801 1.00 53.31 H new ATOM 200 N ASP A 15 17.404 13.695 -6.771 1.00 4.13 N ATOM 201 CA ASP A 15 17.091 12.988 -8.007 1.00 44.22 C ATOM 202 C ASP A 15 15.583 12.863 -8.195 1.00 13.41 C ATOM 203 O ASP A 15 15.076 12.970 -9.311 1.00 41.41 O ATOM 204 CB ASP A 15 17.734 11.600 -8.003 1.00 11.31 C ATOM 205 CG ASP A 15 18.526 11.325 -9.266 1.00 3.12 C ATOM 206 OD1 ASP A 15 19.720 11.691 -9.309 1.00 72.33 O ATOM 207 OD2 ASP A 15 17.953 10.743 -10.210 1.00 41.43 O ATOM 0 H ASP A 15 18.273 13.401 -6.326 1.00 4.13 H new ATOM 0 HA ASP A 15 17.496 13.565 -8.839 1.00 44.22 H new ATOM 0 HB2 ASP A 15 18.392 11.510 -7.138 1.00 11.31 H new ATOM 0 HB3 ASP A 15 16.957 10.843 -7.893 1.00 11.31 H new ATOM 212 N GLU A 16 14.871 12.635 -7.095 1.00 44.31 N ATOM 213 CA GLU A 16 13.421 12.494 -7.140 1.00 72.00 C ATOM 214 C GLU A 16 12.742 13.860 -7.184 1.00 41.04 C ATOM 215 O GLU A 16 11.774 14.061 -7.918 1.00 11.12 O ATOM 216 CB GLU A 16 12.925 11.705 -5.926 1.00 42.21 C ATOM 217 CG GLU A 16 13.901 10.641 -5.452 1.00 11.42 C ATOM 218 CD GLU A 16 13.208 9.358 -5.037 1.00 62.20 C ATOM 219 OE1 GLU A 16 12.411 9.398 -4.076 1.00 44.31 O ATOM 220 OE2 GLU A 16 13.463 8.314 -5.672 1.00 72.54 O ATOM 0 H GLU A 16 15.275 12.544 -6.163 1.00 44.31 H new ATOM 0 HA GLU A 16 13.163 11.950 -8.049 1.00 72.00 H new ATOM 0 HB2 GLU A 16 12.730 12.398 -5.108 1.00 42.21 H new ATOM 0 HB3 GLU A 16 11.976 11.231 -6.175 1.00 42.21 H new ATOM 0 HG2 GLU A 16 14.612 10.424 -6.249 1.00 11.42 H new ATOM 0 HG3 GLU A 16 14.475 11.029 -4.610 1.00 11.42 H new ATOM 227 N PHE A 17 13.257 14.796 -6.394 1.00 30.23 N ATOM 228 CA PHE A 17 12.701 16.143 -6.341 1.00 33.34 C ATOM 229 C PHE A 17 12.686 16.780 -7.727 1.00 11.10 C ATOM 230 O PHE A 17 11.694 17.385 -8.133 1.00 53.13 O ATOM 231 CB PHE A 17 13.508 17.013 -5.375 1.00 51.23 C ATOM 232 CG PHE A 17 14.082 18.245 -6.016 1.00 35.15 C ATOM 233 CD1 PHE A 17 15.299 18.196 -6.675 1.00 61.21 C ATOM 234 CD2 PHE A 17 13.403 19.452 -5.958 1.00 60.52 C ATOM 235 CE1 PHE A 17 15.829 19.328 -7.264 1.00 64.03 C ATOM 236 CE2 PHE A 17 13.928 20.587 -6.546 1.00 2.00 C ATOM 237 CZ PHE A 17 15.143 20.525 -7.201 1.00 34.32 C ATOM 0 H PHE A 17 14.059 14.646 -5.781 1.00 30.23 H new ATOM 0 HA PHE A 17 11.674 16.072 -5.983 1.00 33.34 H new ATOM 0 HB2 PHE A 17 12.868 17.310 -4.544 1.00 51.23 H new ATOM 0 HB3 PHE A 17 14.320 16.419 -4.955 1.00 51.23 H new ATOM 0 HD1 PHE A 17 15.840 17.263 -6.729 1.00 61.21 H new ATOM 0 HD2 PHE A 17 12.453 19.506 -5.447 1.00 60.52 H new ATOM 0 HE1 PHE A 17 16.780 19.277 -7.774 1.00 64.03 H new ATOM 0 HE2 PHE A 17 13.389 21.522 -6.494 1.00 2.00 H new ATOM 0 HZ PHE A 17 15.555 21.410 -7.662 1.00 34.32 H new ATOM 247 N ASP A 18 13.793 16.640 -8.447 1.00 42.15 N ATOM 248 CA ASP A 18 13.909 17.201 -9.789 1.00 12.25 C ATOM 249 C ASP A 18 12.984 16.478 -10.762 1.00 34.41 C ATOM 250 O ASP A 18 12.521 17.059 -11.743 1.00 45.21 O ATOM 251 CB ASP A 18 15.355 17.113 -10.279 1.00 31.34 C ATOM 252 CG ASP A 18 16.084 18.438 -10.173 1.00 22.44 C ATOM 253 OD1 ASP A 18 15.437 19.488 -10.365 1.00 71.31 O ATOM 254 OD2 ASP A 18 17.303 18.424 -9.898 1.00 14.31 O ATOM 0 H ASP A 18 14.623 16.143 -8.125 1.00 42.15 H new ATOM 0 HA ASP A 18 13.612 18.249 -9.745 1.00 12.25 H new ATOM 0 HB2 ASP A 18 15.888 16.361 -9.697 1.00 31.34 H new ATOM 0 HB3 ASP A 18 15.364 16.779 -11.316 1.00 31.34 H new ATOM 259 N ALA A 19 12.719 15.205 -10.484 1.00 13.33 N ATOM 260 CA ALA A 19 11.848 14.403 -11.334 1.00 23.30 C ATOM 261 C ALA A 19 10.451 15.008 -11.416 1.00 41.04 C ATOM 262 O ALA A 19 9.614 14.554 -12.195 1.00 73.14 O ATOM 263 CB ALA A 19 11.777 12.974 -10.816 1.00 72.35 C ATOM 0 H ALA A 19 13.095 14.708 -9.677 1.00 13.33 H new ATOM 0 HA ALA A 19 12.270 14.394 -12.339 1.00 23.30 H new ATOM 0 HB1 ALA A 19 11.123 12.386 -11.460 1.00 72.35 H new ATOM 0 HB2 ALA A 19 12.776 12.537 -10.816 1.00 72.35 H new ATOM 0 HB3 ALA A 19 11.381 12.974 -9.800 1.00 72.35 H new ATOM 269 N GLN A 20 10.207 16.034 -10.608 1.00 2.24 N ATOM 270 CA GLN A 20 8.910 16.700 -10.589 1.00 41.01 C ATOM 271 C GLN A 20 9.042 18.160 -11.008 1.00 51.45 C ATOM 272 O GLN A 20 8.177 18.698 -11.699 1.00 14.45 O ATOM 273 CB GLN A 20 8.288 16.612 -9.195 1.00 32.34 C ATOM 274 CG GLN A 20 7.254 15.505 -9.059 1.00 1.54 C ATOM 275 CD GLN A 20 7.468 14.381 -10.053 1.00 2.31 C ATOM 276 OE1 GLN A 20 8.645 13.768 -10.009 1.00 54.31 O flip ATOM 277 NE2 GLN A 20 6.586 14.067 -10.852 1.00 61.00 N flip ATOM 0 H GLN A 20 10.890 16.422 -9.958 1.00 2.24 H new ATOM 0 HA GLN A 20 8.259 16.193 -11.302 1.00 41.01 H new ATOM 0 HB2 GLN A 20 9.079 16.451 -8.463 1.00 32.34 H new ATOM 0 HB3 GLN A 20 7.820 17.567 -8.954 1.00 32.34 H new ATOM 0 HG2 GLN A 20 7.290 15.102 -8.047 1.00 1.54 H new ATOM 0 HG3 GLN A 20 6.258 15.924 -9.200 1.00 1.54 H new ATOM 0 HE21 GLN A 20 5.696 14.565 -10.851 1.00 61.00 H new ATOM 0 HE22 GLN A 20 6.745 13.309 -11.515 1.00 61.00 H new ATOM 286 N MET A 21 10.130 18.796 -10.587 1.00 1.24 N ATOM 287 CA MET A 21 10.375 20.195 -10.920 1.00 31.34 C ATOM 288 C MET A 21 10.593 20.366 -12.420 1.00 11.34 C ATOM 289 O MET A 21 10.510 21.476 -12.947 1.00 54.01 O ATOM 290 CB MET A 21 11.591 20.719 -10.153 1.00 34.54 C ATOM 291 CG MET A 21 11.298 21.959 -9.324 1.00 22.20 C ATOM 292 SD MET A 21 11.037 21.583 -7.580 1.00 13.21 S ATOM 293 CE MET A 21 9.645 20.461 -7.680 1.00 74.33 C ATOM 0 H MET A 21 10.856 18.365 -10.015 1.00 1.24 H new ATOM 0 HA MET A 21 9.496 20.771 -10.630 1.00 31.34 H new ATOM 0 HB2 MET A 21 11.963 19.932 -9.496 1.00 34.54 H new ATOM 0 HB3 MET A 21 12.387 20.946 -10.862 1.00 34.54 H new ATOM 0 HG2 MET A 21 12.127 22.660 -9.420 1.00 22.20 H new ATOM 0 HG3 MET A 21 10.413 22.456 -9.721 1.00 22.20 H new ATOM 0 HE1 MET A 21 9.112 20.457 -6.729 1.00 74.33 H new ATOM 0 HE2 MET A 21 8.971 20.787 -8.473 1.00 74.33 H new ATOM 0 HE3 MET A 21 10.003 19.455 -7.899 1.00 74.33 H new ATOM 303 N THR A 22 10.873 19.261 -13.103 1.00 31.32 N ATOM 304 CA THR A 22 11.104 19.289 -14.541 1.00 42.25 C ATOM 305 C THR A 22 9.822 18.994 -15.311 1.00 14.24 C ATOM 306 O THR A 22 9.617 19.499 -16.415 1.00 21.02 O ATOM 307 CB THR A 22 12.184 18.272 -14.957 1.00 40.41 C ATOM 308 OG1 THR A 22 13.460 18.917 -15.034 1.00 43.21 O ATOM 309 CG2 THR A 22 11.846 17.643 -16.300 1.00 43.13 C ATOM 0 H THR A 22 10.945 18.335 -12.683 1.00 31.32 H new ATOM 0 HA THR A 22 11.448 20.294 -14.785 1.00 42.25 H new ATOM 0 HB THR A 22 12.220 17.485 -14.204 1.00 40.41 H new ATOM 0 HG1 THR A 22 14.141 18.264 -15.297 1.00 43.21 H new ATOM 0 HG21 THR A 22 12.623 16.929 -16.573 1.00 43.13 H new ATOM 0 HG22 THR A 22 10.888 17.128 -16.230 1.00 43.13 H new ATOM 0 HG23 THR A 22 11.785 18.421 -17.061 1.00 43.13 H new ATOM 317 N LYS A 23 8.959 18.174 -14.720 1.00 72.14 N ATOM 318 CA LYS A 23 7.694 17.812 -15.349 1.00 13.43 C ATOM 319 C LYS A 23 6.652 18.907 -15.144 1.00 12.43 C ATOM 320 O LYS A 23 5.451 18.641 -15.137 1.00 75.32 O ATOM 321 CB LYS A 23 7.177 16.489 -14.779 1.00 4.32 C ATOM 322 CG LYS A 23 7.671 15.268 -15.535 1.00 33.33 C ATOM 323 CD LYS A 23 8.997 14.770 -14.985 1.00 42.13 C ATOM 324 CE LYS A 23 8.884 13.348 -14.457 1.00 15.42 C ATOM 325 NZ LYS A 23 10.220 12.733 -14.227 1.00 42.44 N ATOM 0 H LYS A 23 9.113 17.748 -13.806 1.00 72.14 H new ATOM 0 HA LYS A 23 7.869 17.696 -16.419 1.00 13.43 H new ATOM 0 HB2 LYS A 23 7.482 16.408 -13.736 1.00 4.32 H new ATOM 0 HB3 LYS A 23 6.087 16.498 -14.792 1.00 4.32 H new ATOM 0 HG2 LYS A 23 6.928 14.473 -15.470 1.00 33.33 H new ATOM 0 HG3 LYS A 23 7.783 15.514 -16.591 1.00 33.33 H new ATOM 0 HD2 LYS A 23 9.754 14.809 -15.768 1.00 42.13 H new ATOM 0 HD3 LYS A 23 9.331 15.431 -14.185 1.00 42.13 H new ATOM 0 HE2 LYS A 23 8.320 13.351 -13.524 1.00 15.42 H new ATOM 0 HE3 LYS A 23 8.322 12.741 -15.167 1.00 15.42 H new ATOM 0 HZ1 LYS A 23 10.106 11.718 -14.032 1.00 42.44 H new ATOM 0 HZ2 LYS A 23 10.810 12.859 -15.074 1.00 42.44 H new ATOM 0 HZ3 LYS A 23 10.678 13.192 -13.414 1.00 42.44 H new ATOM 339 N ALA A 24 7.120 20.140 -14.978 1.00 3.11 N ATOM 340 CA ALA A 24 6.229 21.275 -14.776 1.00 53.45 C ATOM 341 C ALA A 24 6.533 22.395 -15.766 1.00 61.12 C ATOM 342 O ALA A 24 5.623 23.008 -16.326 1.00 25.25 O ATOM 343 CB ALA A 24 6.340 21.787 -13.348 1.00 31.22 C ATOM 0 H ALA A 24 8.112 20.378 -14.980 1.00 3.11 H new ATOM 0 HA ALA A 24 5.207 20.938 -14.951 1.00 53.45 H new ATOM 0 HB1 ALA A 24 5.669 22.635 -13.212 1.00 31.22 H new ATOM 0 HB2 ALA A 24 6.066 20.992 -12.654 1.00 31.22 H new ATOM 0 HB3 ALA A 24 7.365 22.101 -13.153 1.00 31.22 H new ATOM 349 N LYS A 25 7.818 22.658 -15.978 1.00 62.31 N ATOM 350 CA LYS A 25 8.244 23.703 -16.901 1.00 13.31 C ATOM 351 C LYS A 25 7.953 23.306 -18.345 1.00 1.13 C ATOM 352 O LYS A 25 7.473 24.117 -19.136 1.00 31.02 O ATOM 353 CB LYS A 25 9.738 23.986 -16.730 1.00 11.25 C ATOM 354 CG LYS A 25 10.605 22.742 -16.808 1.00 65.10 C ATOM 355 CD LYS A 25 11.642 22.714 -15.698 1.00 3.04 C ATOM 356 CE LYS A 25 12.397 24.031 -15.607 1.00 1.44 C ATOM 357 NZ LYS A 25 13.800 23.836 -15.148 1.00 2.24 N ATOM 0 H LYS A 25 8.583 22.161 -15.522 1.00 62.31 H new ATOM 0 HA LYS A 25 7.681 24.607 -16.671 1.00 13.31 H new ATOM 0 HB2 LYS A 25 10.056 24.689 -17.499 1.00 11.25 H new ATOM 0 HB3 LYS A 25 9.899 24.472 -15.768 1.00 11.25 H new ATOM 0 HG2 LYS A 25 9.976 21.854 -16.742 1.00 65.10 H new ATOM 0 HG3 LYS A 25 11.106 22.706 -17.776 1.00 65.10 H new ATOM 0 HD2 LYS A 25 11.152 22.508 -14.746 1.00 3.04 H new ATOM 0 HD3 LYS A 25 12.346 21.901 -15.877 1.00 3.04 H new ATOM 0 HE2 LYS A 25 12.398 24.517 -16.583 1.00 1.44 H new ATOM 0 HE3 LYS A 25 11.879 24.699 -14.919 1.00 1.44 H new ATOM 0 HZ1 LYS A 25 14.280 24.757 -15.099 1.00 2.24 H new ATOM 0 HZ2 LYS A 25 13.799 23.396 -14.206 1.00 2.24 H new ATOM 0 HZ3 LYS A 25 14.302 23.219 -15.818 1.00 2.24 H new ATOM 371 N GLU A 26 8.246 22.053 -18.680 1.00 3.44 N ATOM 372 CA GLU A 26 8.015 21.550 -20.028 1.00 41.05 C ATOM 373 C GLU A 26 6.535 21.253 -20.252 1.00 41.43 C ATOM 374 O GLU A 26 5.979 21.575 -21.302 1.00 34.52 O ATOM 375 CB GLU A 26 8.843 20.287 -20.274 1.00 74.41 C ATOM 376 CG GLU A 26 8.897 19.352 -19.077 1.00 51.40 C ATOM 377 CD GLU A 26 8.691 17.900 -19.461 1.00 23.22 C ATOM 378 OE1 GLU A 26 9.621 17.301 -20.041 1.00 2.44 O ATOM 379 OE2 GLU A 26 7.600 17.362 -19.181 1.00 34.33 O ATOM 0 H GLU A 26 8.643 21.369 -18.036 1.00 3.44 H new ATOM 0 HA GLU A 26 8.324 22.321 -20.734 1.00 41.05 H new ATOM 0 HB2 GLU A 26 8.426 19.750 -21.126 1.00 74.41 H new ATOM 0 HB3 GLU A 26 9.859 20.576 -20.545 1.00 74.41 H new ATOM 0 HG2 GLU A 26 9.861 19.459 -18.580 1.00 51.40 H new ATOM 0 HG3 GLU A 26 8.133 19.645 -18.357 1.00 51.40 H new ATOM 386 N ALA A 27 5.904 20.638 -19.258 1.00 21.42 N ATOM 387 CA ALA A 27 4.489 20.299 -19.345 1.00 22.44 C ATOM 388 C ALA A 27 3.625 21.554 -19.388 1.00 3.51 C ATOM 389 O ALA A 27 2.540 21.554 -19.968 1.00 24.22 O ATOM 390 CB ALA A 27 4.085 19.418 -18.172 1.00 33.41 C ATOM 0 H ALA A 27 6.350 20.364 -18.383 1.00 21.42 H new ATOM 0 HA ALA A 27 4.329 19.748 -20.272 1.00 22.44 H new ATOM 0 HB1 ALA A 27 3.026 19.172 -18.249 1.00 33.41 H new ATOM 0 HB2 ALA A 27 4.673 18.500 -18.187 1.00 33.41 H new ATOM 0 HB3 ALA A 27 4.267 19.950 -17.238 1.00 33.41 H new ATOM 396 N GLY A 28 4.114 22.625 -18.769 1.00 41.23 N ATOM 397 CA GLY A 28 3.373 23.873 -18.749 1.00 21.24 C ATOM 398 C GLY A 28 2.432 23.968 -17.564 1.00 53.44 C ATOM 399 O GLY A 28 1.379 24.601 -17.648 1.00 11.44 O ATOM 0 H GLY A 28 5.010 22.650 -18.281 1.00 41.23 H new ATOM 0 HA2 GLY A 28 4.073 24.708 -18.721 1.00 21.24 H new ATOM 0 HA3 GLY A 28 2.801 23.968 -19.672 1.00 21.24 H new ATOM 403 N LYS A 29 2.809 23.337 -16.458 1.00 23.00 N ATOM 404 CA LYS A 29 1.992 23.352 -15.251 1.00 12.43 C ATOM 405 C LYS A 29 2.769 23.935 -14.075 1.00 22.13 C ATOM 406 O LYS A 29 3.995 24.043 -14.120 1.00 33.51 O ATOM 407 CB LYS A 29 1.519 21.937 -14.912 1.00 72.13 C ATOM 408 CG LYS A 29 2.572 21.095 -14.213 1.00 35.24 C ATOM 409 CD LYS A 29 2.735 19.739 -14.880 1.00 1.44 C ATOM 410 CE LYS A 29 1.395 19.169 -15.320 1.00 3.53 C ATOM 411 NZ LYS A 29 1.290 17.713 -15.029 1.00 72.31 N ATOM 0 H LYS A 29 3.677 22.808 -16.372 1.00 23.00 H new ATOM 0 HA LYS A 29 1.123 23.983 -15.439 1.00 12.43 H new ATOM 0 HB2 LYS A 29 0.636 22.001 -14.276 1.00 72.13 H new ATOM 0 HB3 LYS A 29 1.215 21.435 -15.830 1.00 72.13 H new ATOM 0 HG2 LYS A 29 3.526 21.623 -14.222 1.00 35.24 H new ATOM 0 HG3 LYS A 29 2.294 20.956 -13.168 1.00 35.24 H new ATOM 0 HD2 LYS A 29 3.392 19.834 -15.744 1.00 1.44 H new ATOM 0 HD3 LYS A 29 3.216 19.048 -14.188 1.00 1.44 H new ATOM 0 HE2 LYS A 29 0.590 19.700 -14.812 1.00 3.53 H new ATOM 0 HE3 LYS A 29 1.262 19.336 -16.389 1.00 3.53 H new ATOM 0 HZ1 LYS A 29 0.363 17.362 -15.343 1.00 72.31 H new ATOM 0 HZ2 LYS A 29 2.043 17.203 -15.534 1.00 72.31 H new ATOM 0 HZ3 LYS A 29 1.391 17.555 -14.006 1.00 72.31 H new ATOM 425 N VAL A 30 2.049 24.308 -13.022 1.00 11.14 N ATOM 426 CA VAL A 30 2.671 24.877 -11.832 1.00 65.03 C ATOM 427 C VAL A 30 3.319 23.792 -10.978 1.00 54.35 C ATOM 428 O VAL A 30 2.993 22.612 -11.104 1.00 30.33 O ATOM 429 CB VAL A 30 1.648 25.646 -10.976 1.00 52.33 C ATOM 430 CG1 VAL A 30 1.734 25.212 -9.521 1.00 65.12 C ATOM 431 CG2 VAL A 30 1.865 27.146 -11.107 1.00 54.33 C ATOM 0 H VAL A 30 1.034 24.226 -12.969 1.00 11.14 H new ATOM 0 HA VAL A 30 3.438 25.570 -12.177 1.00 65.03 H new ATOM 0 HB VAL A 30 0.648 25.413 -11.341 1.00 52.33 H new ATOM 0 HG11 VAL A 30 1.003 25.767 -8.932 1.00 65.12 H new ATOM 0 HG12 VAL A 30 1.525 24.145 -9.447 1.00 65.12 H new ATOM 0 HG13 VAL A 30 2.735 25.413 -9.140 1.00 65.12 H new ATOM 0 HG21 VAL A 30 1.133 27.674 -10.496 1.00 54.33 H new ATOM 0 HG22 VAL A 30 2.870 27.399 -10.770 1.00 54.33 H new ATOM 0 HG23 VAL A 30 1.747 27.441 -12.150 1.00 54.33 H new ATOM 441 N VAL A 31 4.237 24.201 -10.109 1.00 64.20 N ATOM 442 CA VAL A 31 4.930 23.264 -9.232 1.00 40.22 C ATOM 443 C VAL A 31 4.571 23.511 -7.771 1.00 44.22 C ATOM 444 O VAL A 31 4.318 24.647 -7.367 1.00 61.53 O ATOM 445 CB VAL A 31 6.458 23.365 -9.398 1.00 70.24 C ATOM 446 CG1 VAL A 31 7.167 22.776 -8.188 1.00 72.23 C ATOM 447 CG2 VAL A 31 6.901 22.670 -10.677 1.00 24.22 C ATOM 0 H VAL A 31 4.518 25.175 -9.993 1.00 64.20 H new ATOM 0 HA VAL A 31 4.606 22.263 -9.519 1.00 40.22 H new ATOM 0 HB VAL A 31 6.730 24.418 -9.471 1.00 70.24 H new ATOM 0 HG11 VAL A 31 8.246 22.856 -8.323 1.00 72.23 H new ATOM 0 HG12 VAL A 31 6.872 23.322 -7.292 1.00 72.23 H new ATOM 0 HG13 VAL A 31 6.892 21.727 -8.080 1.00 72.23 H new ATOM 0 HG21 VAL A 31 7.983 22.751 -10.779 1.00 24.22 H new ATOM 0 HG22 VAL A 31 6.618 21.618 -10.636 1.00 24.22 H new ATOM 0 HG23 VAL A 31 6.420 23.142 -11.533 1.00 24.22 H new ATOM 457 N ILE A 32 4.552 22.441 -6.983 1.00 42.44 N ATOM 458 CA ILE A 32 4.226 22.543 -5.566 1.00 61.44 C ATOM 459 C ILE A 32 5.078 21.587 -4.737 1.00 15.42 C ATOM 460 O ILE A 32 4.751 20.408 -4.600 1.00 60.05 O ATOM 461 CB ILE A 32 2.738 22.242 -5.308 1.00 71.23 C ATOM 462 CG1 ILE A 32 1.857 23.079 -6.238 1.00 1.42 C ATOM 463 CG2 ILE A 32 2.388 22.511 -3.853 1.00 13.54 C ATOM 464 CD1 ILE A 32 1.410 22.337 -7.478 1.00 0.23 C ATOM 0 H ILE A 32 4.758 21.494 -7.302 1.00 42.44 H new ATOM 0 HA ILE A 32 4.438 23.569 -5.266 1.00 61.44 H new ATOM 0 HB ILE A 32 2.554 21.188 -5.516 1.00 71.23 H new ATOM 0 HG12 ILE A 32 0.977 23.414 -5.688 1.00 1.42 H new ATOM 0 HG13 ILE A 32 2.405 23.973 -6.537 1.00 1.42 H new ATOM 0 HG21 ILE A 32 1.333 22.294 -3.686 1.00 13.54 H new ATOM 0 HG22 ILE A 32 2.996 21.875 -3.209 1.00 13.54 H new ATOM 0 HG23 ILE A 32 2.584 23.557 -3.619 1.00 13.54 H new ATOM 0 HD11 ILE A 32 0.790 22.992 -8.090 1.00 0.23 H new ATOM 0 HD12 ILE A 32 2.284 22.026 -8.051 1.00 0.23 H new ATOM 0 HD13 ILE A 32 0.834 21.458 -7.188 1.00 0.23 H new ATOM 476 N ILE A 33 6.169 22.105 -4.183 1.00 51.24 N ATOM 477 CA ILE A 33 7.066 21.299 -3.364 1.00 55.05 C ATOM 478 C ILE A 33 6.740 21.449 -1.882 1.00 45.22 C ATOM 479 O ILE A 33 6.649 22.563 -1.366 1.00 52.21 O ATOM 480 CB ILE A 33 8.539 21.683 -3.597 1.00 13.40 C ATOM 481 CG1 ILE A 33 8.745 22.152 -5.039 1.00 13.32 C ATOM 482 CG2 ILE A 33 9.449 20.506 -3.282 1.00 3.11 C ATOM 483 CD1 ILE A 33 9.023 23.634 -5.158 1.00 44.32 C ATOM 0 H ILE A 33 6.453 23.079 -4.286 1.00 51.24 H new ATOM 0 HA ILE A 33 6.919 20.261 -3.662 1.00 55.05 H new ATOM 0 HB ILE A 33 8.795 22.504 -2.928 1.00 13.40 H new ATOM 0 HG12 ILE A 33 9.575 21.598 -5.478 1.00 13.32 H new ATOM 0 HG13 ILE A 33 7.857 21.909 -5.622 1.00 13.32 H new ATOM 0 HG21 ILE A 33 10.487 20.793 -3.452 1.00 3.11 H new ATOM 0 HG22 ILE A 33 9.319 20.214 -2.240 1.00 3.11 H new ATOM 0 HG23 ILE A 33 9.195 19.666 -3.929 1.00 3.11 H new ATOM 0 HD11 ILE A 33 9.159 23.896 -6.207 1.00 44.32 H new ATOM 0 HD12 ILE A 33 8.183 24.196 -4.750 1.00 44.32 H new ATOM 0 HD13 ILE A 33 9.928 23.880 -4.603 1.00 44.32 H new ATOM 495 N ASP A 34 6.569 20.321 -1.203 1.00 30.24 N ATOM 496 CA ASP A 34 6.257 20.326 0.222 1.00 40.01 C ATOM 497 C ASP A 34 7.500 20.019 1.051 1.00 32.35 C ATOM 498 O ASP A 34 7.758 18.866 1.399 1.00 74.01 O ATOM 499 CB ASP A 34 5.159 19.307 0.529 1.00 32.10 C ATOM 500 CG ASP A 34 5.092 18.954 2.002 1.00 61.31 C ATOM 501 OD1 ASP A 34 4.819 19.859 2.817 1.00 52.21 O ATOM 502 OD2 ASP A 34 5.314 17.772 2.340 1.00 61.24 O ATOM 0 H ASP A 34 6.641 19.391 -1.616 1.00 30.24 H new ATOM 0 HA ASP A 34 5.902 21.322 0.488 1.00 40.01 H new ATOM 0 HB2 ASP A 34 4.197 19.707 0.210 1.00 32.10 H new ATOM 0 HB3 ASP A 34 5.336 18.401 -0.051 1.00 32.10 H new ATOM 507 N PHE A 35 8.268 21.057 1.365 1.00 54.12 N ATOM 508 CA PHE A 35 9.485 20.898 2.152 1.00 71.02 C ATOM 509 C PHE A 35 9.170 20.326 3.531 1.00 61.11 C ATOM 510 O PHE A 35 8.060 19.855 3.783 1.00 42.33 O ATOM 511 CB PHE A 35 10.203 22.241 2.296 1.00 3.22 C ATOM 512 CG PHE A 35 11.017 22.619 1.091 1.00 34.42 C ATOM 513 CD1 PHE A 35 12.100 21.848 0.701 1.00 75.34 C ATOM 514 CD2 PHE A 35 10.698 23.745 0.349 1.00 24.14 C ATOM 515 CE1 PHE A 35 12.850 22.192 -0.408 1.00 52.00 C ATOM 516 CE2 PHE A 35 11.445 24.094 -0.760 1.00 73.23 C ATOM 517 CZ PHE A 35 12.522 23.317 -1.139 1.00 4.32 C ATOM 0 H PHE A 35 8.069 22.018 1.086 1.00 54.12 H new ATOM 0 HA PHE A 35 10.138 20.199 1.629 1.00 71.02 H new ATOM 0 HB2 PHE A 35 9.464 23.020 2.484 1.00 3.22 H new ATOM 0 HB3 PHE A 35 10.856 22.203 3.168 1.00 3.22 H new ATOM 0 HD1 PHE A 35 12.361 20.968 1.270 1.00 75.34 H new ATOM 0 HD2 PHE A 35 9.857 24.356 0.640 1.00 24.14 H new ATOM 0 HE1 PHE A 35 13.691 21.582 -0.702 1.00 52.00 H new ATOM 0 HE2 PHE A 35 11.187 24.974 -1.330 1.00 73.23 H new ATOM 0 HZ PHE A 35 13.107 23.589 -2.005 1.00 4.32 H new ATOM 527 N THR A 36 10.156 20.369 4.422 1.00 14.32 N ATOM 528 CA THR A 36 9.986 19.854 5.775 1.00 51.40 C ATOM 529 C THR A 36 11.329 19.708 6.480 1.00 4.32 C ATOM 530 O THR A 36 12.292 19.203 5.904 1.00 71.32 O ATOM 531 CB THR A 36 9.270 18.491 5.771 1.00 32.33 C ATOM 532 OG1 THR A 36 9.552 17.786 6.985 1.00 24.33 O ATOM 533 CG2 THR A 36 9.707 17.653 4.579 1.00 10.10 C ATOM 0 H THR A 36 11.080 20.755 4.231 1.00 14.32 H new ATOM 0 HA THR A 36 9.373 20.576 6.314 1.00 51.40 H new ATOM 0 HB THR A 36 8.197 18.669 5.695 1.00 32.33 H new ATOM 0 HG1 THR A 36 9.092 16.921 6.975 1.00 24.33 H new ATOM 0 HG21 THR A 36 9.188 16.695 4.598 1.00 10.10 H new ATOM 0 HG22 THR A 36 9.464 18.179 3.656 1.00 10.10 H new ATOM 0 HG23 THR A 36 10.783 17.484 4.628 1.00 10.10 H new ATOM 629 N ARG A 44 -0.327 13.993 8.975 1.00 40.03 N ATOM 630 CA ARG A 44 -1.353 13.040 9.380 1.00 71.00 C ATOM 631 C ARG A 44 -2.747 13.641 9.220 1.00 64.42 C ATOM 632 O ARG A 44 -3.596 13.088 8.521 1.00 61.53 O ATOM 633 CB ARG A 44 -1.135 12.610 10.832 1.00 51.12 C ATOM 634 CG ARG A 44 -0.140 11.472 10.987 1.00 21.21 C ATOM 635 CD ARG A 44 -0.717 10.336 11.817 1.00 15.23 C ATOM 636 NE ARG A 44 -0.505 10.540 13.248 1.00 44.54 N ATOM 637 CZ ARG A 44 -0.890 9.675 14.179 1.00 41.21 C ATOM 638 NH1 ARG A 44 -1.504 8.553 13.832 1.00 31.40 N ATOM 639 NH2 ARG A 44 -0.661 9.932 15.460 1.00 25.14 N ATOM 0 HA ARG A 44 -1.277 12.166 8.734 1.00 71.00 H new ATOM 0 HB2 ARG A 44 -0.786 13.467 11.407 1.00 51.12 H new ATOM 0 HB3 ARG A 44 -2.091 12.307 11.260 1.00 51.12 H new ATOM 0 HG2 ARG A 44 0.143 11.098 10.003 1.00 21.21 H new ATOM 0 HG3 ARG A 44 0.769 11.844 11.460 1.00 21.21 H new ATOM 0 HD2 ARG A 44 -1.785 10.248 11.618 1.00 15.23 H new ATOM 0 HD3 ARG A 44 -0.257 9.395 11.513 1.00 15.23 H new ATOM 0 HE ARG A 44 -0.035 11.394 13.549 1.00 44.54 H new ATOM 0 HH11 ARG A 44 -1.682 8.352 12.848 1.00 31.40 H new ATOM 0 HH12 ARG A 44 -1.799 7.890 14.549 1.00 31.40 H new ATOM 0 HH21 ARG A 44 -0.189 10.795 15.731 1.00 25.14 H new ATOM 0 HH22 ARG A 44 -0.957 9.267 16.174 1.00 25.14 H new ATOM 653 N PHE A 45 -2.975 14.775 9.873 1.00 42.33 N ATOM 654 CA PHE A 45 -4.266 15.450 9.804 1.00 4.52 C ATOM 655 C PHE A 45 -4.547 15.944 8.388 1.00 43.10 C ATOM 656 O PHE A 45 -5.664 15.816 7.885 1.00 5.52 O ATOM 657 CB PHE A 45 -4.303 16.626 10.783 1.00 43.01 C ATOM 658 CG PHE A 45 -5.474 17.543 10.574 1.00 2.12 C ATOM 659 CD1 PHE A 45 -6.679 17.306 11.215 1.00 30.13 C ATOM 660 CD2 PHE A 45 -5.369 18.642 9.737 1.00 13.44 C ATOM 661 CE1 PHE A 45 -7.758 18.148 11.024 1.00 33.22 C ATOM 662 CE2 PHE A 45 -6.445 19.488 9.543 1.00 52.12 C ATOM 663 CZ PHE A 45 -7.641 19.241 10.188 1.00 20.10 C ATOM 0 H PHE A 45 -2.283 15.246 10.456 1.00 42.33 H new ATOM 0 HA PHE A 45 -5.038 14.732 10.079 1.00 4.52 H new ATOM 0 HB2 PHE A 45 -4.332 16.240 11.802 1.00 43.01 H new ATOM 0 HB3 PHE A 45 -3.381 17.199 10.685 1.00 43.01 H new ATOM 0 HD1 PHE A 45 -6.776 16.454 11.871 1.00 30.13 H new ATOM 0 HD2 PHE A 45 -4.436 18.840 9.230 1.00 13.44 H new ATOM 0 HE1 PHE A 45 -8.693 17.951 11.528 1.00 33.22 H new ATOM 0 HE2 PHE A 45 -6.350 20.341 8.888 1.00 52.12 H new ATOM 0 HZ PHE A 45 -8.483 19.901 10.039 1.00 20.10 H new ATOM 673 N ILE A 46 -3.526 16.508 7.751 1.00 11.21 N ATOM 674 CA ILE A 46 -3.663 17.021 6.393 1.00 22.53 C ATOM 675 C ILE A 46 -3.006 16.085 5.384 1.00 4.11 C ATOM 676 O ILE A 46 -2.837 16.435 4.216 1.00 1.15 O ATOM 677 CB ILE A 46 -3.042 18.423 6.256 1.00 53.42 C ATOM 678 CG1 ILE A 46 -3.708 19.189 5.111 1.00 52.50 C ATOM 679 CG2 ILE A 46 -1.542 18.319 6.028 1.00 23.22 C ATOM 680 CD1 ILE A 46 -3.697 20.690 5.301 1.00 11.11 C ATOM 0 H ILE A 46 -2.595 16.621 8.153 1.00 11.21 H new ATOM 0 HA ILE A 46 -4.731 17.084 6.185 1.00 22.53 H new ATOM 0 HB ILE A 46 -3.211 18.971 7.183 1.00 53.42 H new ATOM 0 HG12 ILE A 46 -3.200 18.945 4.178 1.00 52.50 H new ATOM 0 HG13 ILE A 46 -4.739 18.851 5.010 1.00 52.50 H new ATOM 0 HG21 ILE A 46 -1.118 19.319 5.933 1.00 23.22 H new ATOM 0 HG22 ILE A 46 -1.080 17.808 6.873 1.00 23.22 H new ATOM 0 HG23 ILE A 46 -1.351 17.756 5.114 1.00 23.22 H new ATOM 0 HD11 ILE A 46 -4.185 21.168 4.452 1.00 11.11 H new ATOM 0 HD12 ILE A 46 -4.230 20.945 6.217 1.00 11.11 H new ATOM 0 HD13 ILE A 46 -2.667 21.040 5.371 1.00 11.11 H new ATOM 692 N ALA A 47 -2.638 14.893 5.843 1.00 51.15 N ATOM 693 CA ALA A 47 -2.003 13.905 4.979 1.00 10.21 C ATOM 694 C ALA A 47 -2.881 13.584 3.774 1.00 22.13 C ATOM 695 O ALA A 47 -2.456 13.681 2.623 1.00 62.32 O ATOM 696 CB ALA A 47 -1.696 12.638 5.764 1.00 41.24 C ATOM 0 H ALA A 47 -2.769 14.588 6.808 1.00 51.15 H new ATOM 0 HA ALA A 47 -1.068 14.327 4.611 1.00 10.21 H new ATOM 0 HB1 ALA A 47 -1.222 11.909 5.107 1.00 41.24 H new ATOM 0 HB2 ALA A 47 -1.023 12.875 6.588 1.00 41.24 H new ATOM 0 HB3 ALA A 47 -2.622 12.222 6.160 1.00 41.24 H new ATOM 702 N PRO A 48 -4.135 13.192 4.043 1.00 60.53 N ATOM 703 CA PRO A 48 -5.099 12.848 2.993 1.00 63.31 C ATOM 704 C PRO A 48 -5.547 14.068 2.195 1.00 23.42 C ATOM 705 O PRO A 48 -6.425 13.973 1.338 1.00 60.12 O ATOM 706 CB PRO A 48 -6.276 12.256 3.772 1.00 11.41 C ATOM 707 CG PRO A 48 -6.178 12.866 5.128 1.00 45.11 C ATOM 708 CD PRO A 48 -4.709 13.054 5.392 1.00 71.23 C ATOM 0 HA PRO A 48 -4.673 12.167 2.256 1.00 63.31 H new ATOM 0 HB2 PRO A 48 -7.227 12.498 3.297 1.00 11.41 H new ATOM 0 HB3 PRO A 48 -6.212 11.169 3.821 1.00 11.41 H new ATOM 0 HG2 PRO A 48 -6.707 13.819 5.167 1.00 45.11 H new ATOM 0 HG3 PRO A 48 -6.630 12.220 5.880 1.00 45.11 H new ATOM 0 HD2 PRO A 48 -4.520 13.938 6.001 1.00 71.23 H new ATOM 0 HD3 PRO A 48 -4.284 12.203 5.924 1.00 71.23 H new ATOM 716 N VAL A 49 -4.937 15.214 2.483 1.00 73.53 N ATOM 717 CA VAL A 49 -5.273 16.452 1.791 1.00 45.33 C ATOM 718 C VAL A 49 -4.255 16.765 0.699 1.00 32.41 C ATOM 719 O VAL A 49 -4.621 17.065 -0.438 1.00 3.25 O ATOM 720 CB VAL A 49 -5.341 17.640 2.768 1.00 12.44 C ATOM 721 CG1 VAL A 49 -5.124 18.953 2.030 1.00 21.35 C ATOM 722 CG2 VAL A 49 -6.672 17.648 3.505 1.00 31.50 C ATOM 0 H VAL A 49 -4.208 15.310 3.190 1.00 73.53 H new ATOM 0 HA VAL A 49 -6.254 16.306 1.339 1.00 45.33 H new ATOM 0 HB VAL A 49 -4.544 17.528 3.503 1.00 12.44 H new ATOM 0 HG11 VAL A 49 -5.176 19.781 2.737 1.00 21.35 H new ATOM 0 HG12 VAL A 49 -4.144 18.944 1.552 1.00 21.35 H new ATOM 0 HG13 VAL A 49 -5.897 19.076 1.271 1.00 21.35 H new ATOM 0 HG21 VAL A 49 -6.703 18.494 4.191 1.00 31.50 H new ATOM 0 HG22 VAL A 49 -7.486 17.735 2.785 1.00 31.50 H new ATOM 0 HG23 VAL A 49 -6.782 16.721 4.067 1.00 31.50 H new ATOM 732 N PHE A 50 -2.976 16.691 1.052 1.00 50.15 N ATOM 733 CA PHE A 50 -1.904 16.966 0.102 1.00 53.52 C ATOM 734 C PHE A 50 -1.909 15.948 -1.034 1.00 74.14 C ATOM 735 O PHE A 50 -2.249 16.273 -2.172 1.00 22.32 O ATOM 736 CB PHE A 50 -0.549 16.949 0.811 1.00 4.30 C ATOM 737 CG PHE A 50 -0.448 17.939 1.936 1.00 11.40 C ATOM 738 CD1 PHE A 50 -1.404 18.930 2.092 1.00 44.53 C ATOM 739 CD2 PHE A 50 0.602 17.879 2.837 1.00 5.35 C ATOM 740 CE1 PHE A 50 -1.314 19.843 3.126 1.00 13.01 C ATOM 741 CE2 PHE A 50 0.697 18.789 3.874 1.00 72.31 C ATOM 742 CZ PHE A 50 -0.262 19.772 4.018 1.00 50.53 C ATOM 0 H PHE A 50 -2.657 16.443 1.988 1.00 50.15 H new ATOM 0 HA PHE A 50 -2.073 17.956 -0.321 1.00 53.52 H new ATOM 0 HB2 PHE A 50 -0.365 15.948 1.201 1.00 4.30 H new ATOM 0 HB3 PHE A 50 0.235 17.157 0.083 1.00 4.30 H new ATOM 0 HD1 PHE A 50 -2.229 18.990 1.398 1.00 44.53 H new ATOM 0 HD2 PHE A 50 1.355 17.113 2.729 1.00 5.35 H new ATOM 0 HE1 PHE A 50 -2.065 20.611 3.236 1.00 13.01 H new ATOM 0 HE2 PHE A 50 1.520 18.731 4.570 1.00 72.31 H new ATOM 0 HZ PHE A 50 -0.190 20.484 4.827 1.00 50.53 H new ATOM 752 N ALA A 51 -1.530 14.714 -0.717 1.00 0.40 N ATOM 753 CA ALA A 51 -1.492 13.648 -1.710 1.00 21.35 C ATOM 754 C ALA A 51 -2.765 13.633 -2.549 1.00 32.25 C ATOM 755 O ALA A 51 -2.709 13.578 -3.776 1.00 70.55 O ATOM 756 CB ALA A 51 -1.290 12.301 -1.030 1.00 5.50 C ATOM 0 H ALA A 51 -1.245 14.428 0.220 1.00 0.40 H new ATOM 0 HA ALA A 51 -0.651 13.836 -2.377 1.00 21.35 H new ATOM 0 HB1 ALA A 51 -1.264 11.514 -1.783 1.00 5.50 H new ATOM 0 HB2 ALA A 51 -0.349 12.309 -0.480 1.00 5.50 H new ATOM 0 HB3 ALA A 51 -2.113 12.115 -0.339 1.00 5.50 H new ATOM 762 N GLU A 52 -3.912 13.682 -1.877 1.00 64.41 N ATOM 763 CA GLU A 52 -5.199 13.672 -2.563 1.00 5.05 C ATOM 764 C GLU A 52 -5.351 14.904 -3.451 1.00 32.44 C ATOM 765 O GLU A 52 -5.993 14.850 -4.500 1.00 14.13 O ATOM 766 CB GLU A 52 -6.342 13.617 -1.547 1.00 41.11 C ATOM 767 CG GLU A 52 -6.927 14.979 -1.215 1.00 52.42 C ATOM 768 CD GLU A 52 -8.158 14.887 -0.335 1.00 32.43 C ATOM 769 OE1 GLU A 52 -9.064 14.093 -0.665 1.00 15.22 O ATOM 770 OE2 GLU A 52 -8.216 15.607 0.684 1.00 64.04 O ATOM 0 H GLU A 52 -3.976 13.729 -0.860 1.00 64.41 H new ATOM 0 HA GLU A 52 -5.240 12.784 -3.194 1.00 5.05 H new ATOM 0 HB2 GLU A 52 -7.133 12.976 -1.937 1.00 41.11 H new ATOM 0 HB3 GLU A 52 -5.979 13.153 -0.630 1.00 41.11 H new ATOM 0 HG2 GLU A 52 -6.171 15.582 -0.713 1.00 52.42 H new ATOM 0 HG3 GLU A 52 -7.184 15.495 -2.140 1.00 52.42 H new ATOM 777 N TYR A 53 -4.757 16.012 -3.022 1.00 70.41 N ATOM 778 CA TYR A 53 -4.829 17.258 -3.776 1.00 21.22 C ATOM 779 C TYR A 53 -4.006 17.167 -5.058 1.00 13.45 C ATOM 780 O TYR A 53 -4.464 17.558 -6.131 1.00 74.40 O ATOM 781 CB TYR A 53 -4.334 18.425 -2.920 1.00 42.01 C ATOM 782 CG TYR A 53 -5.386 18.981 -1.987 1.00 22.41 C ATOM 783 CD1 TYR A 53 -6.589 18.315 -1.789 1.00 71.23 C ATOM 784 CD2 TYR A 53 -5.176 20.171 -1.302 1.00 2.20 C ATOM 785 CE1 TYR A 53 -7.553 18.819 -0.938 1.00 51.22 C ATOM 786 CE2 TYR A 53 -6.134 20.682 -0.448 1.00 4.43 C ATOM 787 CZ TYR A 53 -7.321 20.003 -0.270 1.00 2.14 C ATOM 788 OH TYR A 53 -8.278 20.508 0.580 1.00 10.11 O ATOM 0 H TYR A 53 -4.221 16.073 -2.157 1.00 70.41 H new ATOM 0 HA TYR A 53 -5.871 17.431 -4.046 1.00 21.22 H new ATOM 0 HB2 TYR A 53 -3.477 18.096 -2.333 1.00 42.01 H new ATOM 0 HB3 TYR A 53 -3.984 19.222 -3.575 1.00 42.01 H new ATOM 0 HD1 TYR A 53 -6.774 17.387 -2.310 1.00 71.23 H new ATOM 0 HD2 TYR A 53 -4.248 20.706 -1.439 1.00 2.20 H new ATOM 0 HE1 TYR A 53 -8.483 18.289 -0.796 1.00 51.22 H new ATOM 0 HE2 TYR A 53 -5.954 21.608 0.077 1.00 4.43 H new ATOM 0 HH TYR A 53 -9.053 19.908 0.593 1.00 10.11 H new ATOM 798 N ALA A 54 -2.789 16.649 -4.936 1.00 44.10 N ATOM 799 CA ALA A 54 -1.902 16.504 -6.084 1.00 10.21 C ATOM 800 C ALA A 54 -2.665 16.007 -7.307 1.00 43.43 C ATOM 801 O ALA A 54 -2.456 16.490 -8.420 1.00 51.45 O ATOM 802 CB ALA A 54 -0.759 15.557 -5.751 1.00 61.35 C ATOM 0 H ALA A 54 -2.394 16.323 -4.054 1.00 44.10 H new ATOM 0 HA ALA A 54 -1.489 17.485 -6.320 1.00 10.21 H new ATOM 0 HB1 ALA A 54 -0.105 15.458 -6.617 1.00 61.35 H new ATOM 0 HB2 ALA A 54 -0.191 15.954 -4.910 1.00 61.35 H new ATOM 0 HB3 ALA A 54 -1.162 14.579 -5.487 1.00 61.35 H new ATOM 808 N LYS A 55 -3.549 15.039 -7.094 1.00 52.04 N ATOM 809 CA LYS A 55 -4.344 14.476 -8.179 1.00 52.23 C ATOM 810 C LYS A 55 -5.508 15.396 -8.534 1.00 74.44 C ATOM 811 O LYS A 55 -5.804 15.615 -9.709 1.00 41.03 O ATOM 812 CB LYS A 55 -4.873 13.094 -7.788 1.00 1.31 C ATOM 813 CG LYS A 55 -3.803 12.167 -7.239 1.00 23.13 C ATOM 814 CD LYS A 55 -4.409 11.034 -6.428 1.00 32.01 C ATOM 815 CE LYS A 55 -5.309 10.156 -7.284 1.00 33.25 C ATOM 816 NZ LYS A 55 -4.551 9.051 -7.933 1.00 32.32 N ATOM 0 H LYS A 55 -3.733 14.627 -6.179 1.00 52.04 H new ATOM 0 HA LYS A 55 -3.701 14.378 -9.054 1.00 52.23 H new ATOM 0 HB2 LYS A 55 -5.658 13.213 -7.041 1.00 1.31 H new ATOM 0 HB3 LYS A 55 -5.332 12.629 -8.661 1.00 1.31 H new ATOM 0 HG2 LYS A 55 -3.220 11.755 -8.063 1.00 23.13 H new ATOM 0 HG3 LYS A 55 -3.114 12.735 -6.614 1.00 23.13 H new ATOM 0 HD2 LYS A 55 -3.613 10.428 -5.995 1.00 32.01 H new ATOM 0 HD3 LYS A 55 -4.983 11.446 -5.598 1.00 32.01 H new ATOM 0 HE2 LYS A 55 -6.103 9.737 -6.665 1.00 33.25 H new ATOM 0 HE3 LYS A 55 -5.789 10.765 -8.049 1.00 33.25 H new ATOM 0 HZ1 LYS A 55 -5.200 8.476 -8.507 1.00 32.32 H new ATOM 0 HZ2 LYS A 55 -3.810 9.450 -8.543 1.00 32.32 H new ATOM 0 HZ3 LYS A 55 -4.114 8.454 -7.202 1.00 32.32 H new ATOM 830 N LYS A 56 -6.166 15.932 -7.512 1.00 3.21 N ATOM 831 CA LYS A 56 -7.296 16.831 -7.715 1.00 60.41 C ATOM 832 C LYS A 56 -6.907 18.000 -8.614 1.00 61.33 C ATOM 833 O LYS A 56 -7.754 18.587 -9.287 1.00 54.11 O ATOM 834 CB LYS A 56 -7.805 17.355 -6.371 1.00 33.03 C ATOM 835 CG LYS A 56 -8.394 16.275 -5.480 1.00 25.52 C ATOM 836 CD LYS A 56 -9.779 16.654 -4.983 1.00 45.12 C ATOM 837 CE LYS A 56 -9.745 17.935 -4.164 1.00 53.55 C ATOM 838 NZ LYS A 56 -11.115 18.415 -3.829 1.00 23.23 N ATOM 0 H LYS A 56 -5.936 15.759 -6.533 1.00 3.21 H new ATOM 0 HA LYS A 56 -8.092 16.269 -8.204 1.00 60.41 H new ATOM 0 HB2 LYS A 56 -6.983 17.840 -5.845 1.00 33.03 H new ATOM 0 HB3 LYS A 56 -8.562 18.118 -6.551 1.00 33.03 H new ATOM 0 HG2 LYS A 56 -8.449 15.337 -6.032 1.00 25.52 H new ATOM 0 HG3 LYS A 56 -7.735 16.105 -4.629 1.00 25.52 H new ATOM 0 HD2 LYS A 56 -10.450 16.782 -5.833 1.00 45.12 H new ATOM 0 HD3 LYS A 56 -10.184 15.844 -4.377 1.00 45.12 H new ATOM 0 HE2 LYS A 56 -9.185 17.764 -3.245 1.00 53.55 H new ATOM 0 HE3 LYS A 56 -9.215 18.708 -4.720 1.00 53.55 H new ATOM 0 HZ1 LYS A 56 -11.049 19.290 -3.271 1.00 23.23 H new ATOM 0 HZ2 LYS A 56 -11.641 18.603 -4.706 1.00 23.23 H new ATOM 0 HZ3 LYS A 56 -11.612 17.688 -3.276 1.00 23.23 H new ATOM 852 N PHE A 57 -5.620 18.332 -8.622 1.00 72.41 N ATOM 853 CA PHE A 57 -5.119 19.430 -9.439 1.00 50.45 C ATOM 854 C PHE A 57 -4.160 18.918 -10.510 1.00 52.43 C ATOM 855 O PHE A 57 -2.949 18.837 -10.307 1.00 64.21 O ATOM 856 CB PHE A 57 -4.415 20.467 -8.562 1.00 24.14 C ATOM 857 CG PHE A 57 -5.343 21.501 -7.992 1.00 54.04 C ATOM 858 CD1 PHE A 57 -5.667 22.636 -8.719 1.00 31.42 C ATOM 859 CD2 PHE A 57 -5.892 21.339 -6.731 1.00 33.34 C ATOM 860 CE1 PHE A 57 -6.522 23.589 -8.198 1.00 62.11 C ATOM 861 CE2 PHE A 57 -6.748 22.288 -6.205 1.00 2.31 C ATOM 862 CZ PHE A 57 -7.062 23.415 -6.939 1.00 50.40 C ATOM 0 H PHE A 57 -4.905 17.856 -8.072 1.00 72.41 H new ATOM 0 HA PHE A 57 -5.970 19.900 -9.933 1.00 50.45 H new ATOM 0 HB2 PHE A 57 -3.908 19.955 -7.744 1.00 24.14 H new ATOM 0 HB3 PHE A 57 -3.646 20.966 -9.151 1.00 24.14 H new ATOM 0 HD1 PHE A 57 -5.247 22.777 -9.704 1.00 31.42 H new ATOM 0 HD2 PHE A 57 -5.648 20.461 -6.152 1.00 33.34 H new ATOM 0 HE1 PHE A 57 -6.767 24.468 -8.775 1.00 62.11 H new ATOM 0 HE2 PHE A 57 -7.171 22.148 -5.221 1.00 2.31 H new ATOM 0 HZ PHE A 57 -7.729 24.159 -6.529 1.00 50.40 H new ATOM 872 N PRO A 58 -4.714 18.564 -11.679 1.00 53.03 N ATOM 873 CA PRO A 58 -3.927 18.054 -12.806 1.00 34.41 C ATOM 874 C PRO A 58 -3.051 19.131 -13.436 1.00 22.42 C ATOM 875 O PRO A 58 -2.266 18.854 -14.342 1.00 5.24 O ATOM 876 CB PRO A 58 -4.993 17.583 -13.799 1.00 12.22 C ATOM 877 CG PRO A 58 -6.198 18.398 -13.476 1.00 22.03 C ATOM 878 CD PRO A 58 -6.152 18.635 -11.991 1.00 64.15 C ATOM 0 HA PRO A 58 -3.235 17.270 -12.498 1.00 34.41 H new ATOM 0 HB2 PRO A 58 -4.672 17.741 -14.829 1.00 12.22 H new ATOM 0 HB3 PRO A 58 -5.194 16.518 -13.688 1.00 12.22 H new ATOM 0 HG2 PRO A 58 -6.189 19.341 -14.022 1.00 22.03 H new ATOM 0 HG3 PRO A 58 -7.111 17.874 -13.760 1.00 22.03 H new ATOM 0 HD2 PRO A 58 -6.573 19.605 -11.725 1.00 64.15 H new ATOM 0 HD3 PRO A 58 -6.719 17.881 -11.446 1.00 64.15 H new ATOM 886 N GLY A 59 -3.190 20.360 -12.950 1.00 12.35 N ATOM 887 CA GLY A 59 -2.404 21.460 -13.477 1.00 51.21 C ATOM 888 C GLY A 59 -1.141 21.706 -12.676 1.00 43.15 C ATOM 889 O GLY A 59 -0.592 22.807 -12.693 1.00 0.40 O ATOM 0 H GLY A 59 -3.833 20.614 -12.200 1.00 12.35 H new ATOM 0 HA2 GLY A 59 -2.138 21.249 -14.513 1.00 51.21 H new ATOM 0 HA3 GLY A 59 -3.010 22.366 -13.482 1.00 51.21 H new ATOM 893 N ALA A 60 -0.679 20.678 -11.972 1.00 63.03 N ATOM 894 CA ALA A 60 0.528 20.788 -11.162 1.00 70.41 C ATOM 895 C ALA A 60 1.239 19.443 -11.051 1.00 40.25 C ATOM 896 O ALA A 60 0.647 18.394 -11.303 1.00 71.35 O ATOM 897 CB ALA A 60 0.188 21.322 -9.779 1.00 0.52 C ATOM 0 H ALA A 60 -1.122 19.760 -11.946 1.00 63.03 H new ATOM 0 HA ALA A 60 1.204 21.488 -11.654 1.00 70.41 H new ATOM 0 HB1 ALA A 60 1.099 21.399 -9.185 1.00 0.52 H new ATOM 0 HB2 ALA A 60 -0.269 22.307 -9.872 1.00 0.52 H new ATOM 0 HB3 ALA A 60 -0.509 20.643 -9.288 1.00 0.52 H new ATOM 903 N VAL A 61 2.513 19.482 -10.674 1.00 31.03 N ATOM 904 CA VAL A 61 3.305 18.266 -10.529 1.00 51.45 C ATOM 905 C VAL A 61 3.297 17.773 -9.087 1.00 3.42 C ATOM 906 O VAL A 61 3.292 16.569 -8.831 1.00 5.11 O ATOM 907 CB VAL A 61 4.762 18.489 -10.976 1.00 51.45 C ATOM 908 CG1 VAL A 61 4.814 18.906 -12.438 1.00 62.15 C ATOM 909 CG2 VAL A 61 5.437 19.528 -10.093 1.00 73.12 C ATOM 0 H VAL A 61 3.019 20.342 -10.463 1.00 31.03 H new ATOM 0 HA VAL A 61 2.847 17.512 -11.170 1.00 51.45 H new ATOM 0 HB VAL A 61 5.304 17.549 -10.871 1.00 51.45 H new ATOM 0 HG11 VAL A 61 5.851 19.059 -12.736 1.00 62.15 H new ATOM 0 HG12 VAL A 61 4.371 18.125 -13.055 1.00 62.15 H new ATOM 0 HG13 VAL A 61 4.257 19.834 -12.572 1.00 62.15 H new ATOM 0 HG21 VAL A 61 6.466 19.673 -10.423 1.00 73.12 H new ATOM 0 HG22 VAL A 61 4.897 20.472 -10.164 1.00 73.12 H new ATOM 0 HG23 VAL A 61 5.433 19.184 -9.059 1.00 73.12 H new ATOM 919 N PHE A 62 3.296 18.712 -8.147 1.00 14.55 N ATOM 920 CA PHE A 62 3.289 18.374 -6.728 1.00 71.01 C ATOM 921 C PHE A 62 4.484 17.494 -6.373 1.00 42.42 C ATOM 922 O PHE A 62 5.088 16.866 -7.244 1.00 52.31 O ATOM 923 CB PHE A 62 1.988 17.659 -6.359 1.00 34.12 C ATOM 924 CG PHE A 62 0.773 18.537 -6.455 1.00 51.03 C ATOM 925 CD1 PHE A 62 0.120 18.709 -7.665 1.00 64.15 C ATOM 926 CD2 PHE A 62 0.283 19.190 -5.336 1.00 2.13 C ATOM 927 CE1 PHE A 62 -0.997 19.517 -7.757 1.00 11.00 C ATOM 928 CE2 PHE A 62 -0.834 19.999 -5.421 1.00 53.21 C ATOM 929 CZ PHE A 62 -1.476 20.162 -6.633 1.00 63.02 C ATOM 0 H PHE A 62 3.300 19.713 -8.342 1.00 14.55 H new ATOM 0 HA PHE A 62 3.360 19.301 -6.159 1.00 71.01 H new ATOM 0 HB2 PHE A 62 1.857 16.798 -7.015 1.00 34.12 H new ATOM 0 HB3 PHE A 62 2.070 17.275 -5.342 1.00 34.12 H new ATOM 0 HD1 PHE A 62 0.489 18.206 -8.547 1.00 64.15 H new ATOM 0 HD2 PHE A 62 0.780 19.065 -4.385 1.00 2.13 H new ATOM 0 HE1 PHE A 62 -1.495 19.644 -8.707 1.00 11.00 H new ATOM 0 HE2 PHE A 62 -1.205 20.503 -4.541 1.00 53.21 H new ATOM 0 HZ PHE A 62 -2.350 20.792 -6.702 1.00 63.02 H new ATOM 939 N LEU A 63 4.821 17.455 -5.089 1.00 30.42 N ATOM 940 CA LEU A 63 5.945 16.653 -4.617 1.00 34.31 C ATOM 941 C LEU A 63 6.413 17.126 -3.245 1.00 2.22 C ATOM 942 O LEU A 63 6.346 18.314 -2.929 1.00 41.44 O ATOM 943 CB LEU A 63 7.101 16.722 -5.616 1.00 2.35 C ATOM 944 CG LEU A 63 8.508 16.664 -5.019 1.00 32.44 C ATOM 945 CD1 LEU A 63 9.343 15.605 -5.723 1.00 12.53 C ATOM 946 CD2 LEU A 63 9.182 18.025 -5.108 1.00 63.31 C ATOM 0 H LEU A 63 4.332 17.969 -4.356 1.00 30.42 H new ATOM 0 HA LEU A 63 5.611 15.619 -4.529 1.00 34.31 H new ATOM 0 HB2 LEU A 63 6.994 15.899 -6.323 1.00 2.35 H new ATOM 0 HB3 LEU A 63 7.008 17.646 -6.186 1.00 2.35 H new ATOM 0 HG LEU A 63 8.425 16.391 -3.967 1.00 32.44 H new ATOM 0 HD11 LEU A 63 10.341 15.578 -5.285 1.00 12.53 H new ATOM 0 HD12 LEU A 63 8.869 14.631 -5.606 1.00 12.53 H new ATOM 0 HD13 LEU A 63 9.419 15.847 -6.783 1.00 12.53 H new ATOM 0 HD21 LEU A 63 10.182 17.965 -4.678 1.00 63.31 H new ATOM 0 HD22 LEU A 63 9.253 18.328 -6.153 1.00 63.31 H new ATOM 0 HD23 LEU A 63 8.594 18.759 -4.557 1.00 63.31 H new ATOM 958 N LYS A 64 6.890 16.189 -2.432 1.00 50.14 N ATOM 959 CA LYS A 64 7.374 16.509 -1.095 1.00 12.43 C ATOM 960 C LYS A 64 8.827 16.078 -0.924 1.00 41.41 C ATOM 961 O LYS A 64 9.199 14.959 -1.277 1.00 53.12 O ATOM 962 CB LYS A 64 6.501 15.828 -0.038 1.00 4.42 C ATOM 963 CG LYS A 64 7.292 15.008 0.966 1.00 32.45 C ATOM 964 CD LYS A 64 6.375 14.215 1.883 1.00 23.40 C ATOM 965 CE LYS A 64 5.203 13.619 1.119 1.00 33.02 C ATOM 966 NZ LYS A 64 4.642 12.424 1.808 1.00 74.21 N ATOM 0 H LYS A 64 6.952 15.201 -2.677 1.00 50.14 H new ATOM 0 HA LYS A 64 7.317 17.590 -0.964 1.00 12.43 H new ATOM 0 HB2 LYS A 64 5.931 16.589 0.495 1.00 4.42 H new ATOM 0 HB3 LYS A 64 5.780 15.180 -0.536 1.00 4.42 H new ATOM 0 HG2 LYS A 64 7.957 14.326 0.437 1.00 32.45 H new ATOM 0 HG3 LYS A 64 7.921 15.669 1.562 1.00 32.45 H new ATOM 0 HD2 LYS A 64 6.941 13.417 2.364 1.00 23.40 H new ATOM 0 HD3 LYS A 64 6.002 14.863 2.676 1.00 23.40 H new ATOM 0 HE2 LYS A 64 4.423 14.372 1.005 1.00 33.02 H new ATOM 0 HE3 LYS A 64 5.527 13.341 0.116 1.00 33.02 H new ATOM 0 HZ1 LYS A 64 3.845 12.047 1.256 1.00 74.21 H new ATOM 0 HZ2 LYS A 64 5.379 11.695 1.894 1.00 74.21 H new ATOM 0 HZ3 LYS A 64 4.309 12.694 2.756 1.00 74.21 H new ATOM 980 N VAL A 65 9.645 16.973 -0.379 1.00 40.53 N ATOM 981 CA VAL A 65 11.057 16.685 -0.159 1.00 61.54 C ATOM 982 C VAL A 65 11.455 16.958 1.287 1.00 62.33 C ATOM 983 O VAL A 65 10.721 17.607 2.031 1.00 1.53 O ATOM 984 CB VAL A 65 11.953 17.520 -1.093 1.00 70.45 C ATOM 985 CG1 VAL A 65 11.173 17.971 -2.319 1.00 10.02 C ATOM 986 CG2 VAL A 65 12.531 18.714 -0.349 1.00 72.13 C ATOM 0 H VAL A 65 9.354 17.904 -0.082 1.00 40.53 H new ATOM 0 HA VAL A 65 11.202 15.627 -0.379 1.00 61.54 H new ATOM 0 HB VAL A 65 12.781 16.895 -1.429 1.00 70.45 H new ATOM 0 HG11 VAL A 65 11.822 18.560 -2.967 1.00 10.02 H new ATOM 0 HG12 VAL A 65 10.813 17.098 -2.863 1.00 10.02 H new ATOM 0 HG13 VAL A 65 10.324 18.579 -2.007 1.00 10.02 H new ATOM 0 HG21 VAL A 65 13.161 19.293 -1.024 1.00 72.13 H new ATOM 0 HG22 VAL A 65 11.719 19.342 0.017 1.00 72.13 H new ATOM 0 HG23 VAL A 65 13.127 18.364 0.494 1.00 72.13 H new ATOM 996 N ASP A 66 12.622 16.458 1.678 1.00 62.34 N ATOM 997 CA ASP A 66 13.120 16.649 3.035 1.00 72.10 C ATOM 998 C ASP A 66 14.326 17.582 3.045 1.00 45.20 C ATOM 999 O ASP A 66 15.337 17.314 2.395 1.00 50.42 O ATOM 1000 CB ASP A 66 13.495 15.303 3.658 1.00 51.32 C ATOM 1001 CG ASP A 66 13.514 15.352 5.173 1.00 74.21 C ATOM 1002 OD1 ASP A 66 13.702 16.454 5.729 1.00 15.14 O ATOM 1003 OD2 ASP A 66 13.339 14.288 5.802 1.00 24.43 O ATOM 0 H ASP A 66 13.241 15.917 1.074 1.00 62.34 H new ATOM 0 HA ASP A 66 12.326 17.105 3.626 1.00 72.10 H new ATOM 0 HB2 ASP A 66 12.785 14.544 3.331 1.00 51.32 H new ATOM 0 HB3 ASP A 66 14.477 14.999 3.295 1.00 51.32 H new ATOM 1008 N VAL A 67 14.213 18.680 3.786 1.00 23.34 N ATOM 1009 CA VAL A 67 15.295 19.653 3.881 1.00 13.12 C ATOM 1010 C VAL A 67 16.327 19.228 4.919 1.00 65.22 C ATOM 1011 O VAL A 67 16.928 20.066 5.592 1.00 73.20 O ATOM 1012 CB VAL A 67 14.761 21.051 4.247 1.00 61.11 C ATOM 1013 CG1 VAL A 67 13.683 21.485 3.265 1.00 21.25 C ATOM 1014 CG2 VAL A 67 14.231 21.062 5.673 1.00 43.11 C ATOM 0 H VAL A 67 13.383 18.918 4.329 1.00 23.34 H new ATOM 0 HA VAL A 67 15.768 19.697 2.900 1.00 13.12 H new ATOM 0 HB VAL A 67 15.584 21.763 4.184 1.00 61.11 H new ATOM 0 HG11 VAL A 67 13.318 22.475 3.540 1.00 21.25 H new ATOM 0 HG12 VAL A 67 14.100 21.518 2.258 1.00 21.25 H new ATOM 0 HG13 VAL A 67 12.858 20.773 3.293 1.00 21.25 H new ATOM 0 HG21 VAL A 67 13.858 22.057 5.915 1.00 43.11 H new ATOM 0 HG22 VAL A 67 13.421 20.338 5.766 1.00 43.11 H new ATOM 0 HG23 VAL A 67 15.034 20.798 6.362 1.00 43.11 H new ATOM 1024 N ASP A 68 16.530 17.921 5.042 1.00 30.25 N ATOM 1025 CA ASP A 68 17.492 17.383 5.997 1.00 1.14 C ATOM 1026 C ASP A 68 18.518 16.498 5.296 1.00 54.12 C ATOM 1027 O ASP A 68 19.599 16.246 5.826 1.00 70.31 O ATOM 1028 CB ASP A 68 16.772 16.586 7.086 1.00 75.33 C ATOM 1029 CG ASP A 68 17.540 16.564 8.392 1.00 22.32 C ATOM 1030 OD1 ASP A 68 18.363 15.643 8.581 1.00 1.24 O ATOM 1031 OD2 ASP A 68 17.320 17.467 9.225 1.00 13.31 O ATOM 0 H ASP A 68 16.041 17.214 4.492 1.00 30.25 H new ATOM 0 HA ASP A 68 18.016 18.221 6.457 1.00 1.14 H new ATOM 0 HB2 ASP A 68 15.786 17.018 7.255 1.00 75.33 H new ATOM 0 HB3 ASP A 68 16.618 15.563 6.742 1.00 75.33 H new ATOM 1036 N GLU A 69 18.169 16.030 4.102 1.00 61.45 N ATOM 1037 CA GLU A 69 19.059 15.171 3.329 1.00 4.20 C ATOM 1038 C GLU A 69 19.489 15.857 2.035 1.00 22.13 C ATOM 1039 O GLU A 69 20.606 15.657 1.554 1.00 15.25 O ATOM 1040 CB GLU A 69 18.372 13.842 3.010 1.00 25.55 C ATOM 1041 CG GLU A 69 17.157 13.985 2.110 1.00 60.20 C ATOM 1042 CD GLU A 69 16.211 12.804 2.214 1.00 3.03 C ATOM 1043 OE1 GLU A 69 16.612 11.686 1.829 1.00 5.03 O ATOM 1044 OE2 GLU A 69 15.070 12.999 2.681 1.00 35.25 O ATOM 0 H GLU A 69 17.277 16.231 3.649 1.00 61.45 H new ATOM 0 HA GLU A 69 19.947 14.977 3.930 1.00 4.20 H new ATOM 0 HB2 GLU A 69 19.091 13.177 2.532 1.00 25.55 H new ATOM 0 HB3 GLU A 69 18.069 13.367 3.943 1.00 25.55 H new ATOM 0 HG2 GLU A 69 16.622 14.898 2.371 1.00 60.20 H new ATOM 0 HG3 GLU A 69 17.486 14.092 1.076 1.00 60.20 H new ATOM 1051 N LEU A 70 18.596 16.665 1.476 1.00 15.33 N ATOM 1052 CA LEU A 70 18.881 17.381 0.238 1.00 53.24 C ATOM 1053 C LEU A 70 18.571 18.868 0.384 1.00 21.40 C ATOM 1054 O LEU A 70 18.328 19.563 -0.603 1.00 24.32 O ATOM 1055 CB LEU A 70 18.067 16.790 -0.915 1.00 51.30 C ATOM 1056 CG LEU A 70 16.610 17.244 -1.010 1.00 12.04 C ATOM 1057 CD1 LEU A 70 16.100 17.110 -2.436 1.00 64.52 C ATOM 1058 CD2 LEU A 70 15.739 16.443 -0.053 1.00 13.44 C ATOM 0 H LEU A 70 17.668 16.841 1.861 1.00 15.33 H new ATOM 0 HA LEU A 70 19.943 17.270 0.020 1.00 53.24 H new ATOM 0 HB2 LEU A 70 18.566 17.040 -1.851 1.00 51.30 H new ATOM 0 HB3 LEU A 70 18.083 15.704 -0.825 1.00 51.30 H new ATOM 0 HG LEU A 70 16.558 18.295 -0.725 1.00 12.04 H new ATOM 0 HD11 LEU A 70 15.062 17.438 -2.483 1.00 64.52 H new ATOM 0 HD12 LEU A 70 16.706 17.728 -3.099 1.00 64.52 H new ATOM 0 HD13 LEU A 70 16.166 16.068 -2.750 1.00 64.52 H new ATOM 0 HD21 LEU A 70 14.705 16.779 -0.134 1.00 13.44 H new ATOM 0 HD22 LEU A 70 15.797 15.385 -0.307 1.00 13.44 H new ATOM 0 HD23 LEU A 70 16.090 16.591 0.968 1.00 13.44 H new ATOM 1070 N LYS A 71 18.583 19.350 1.622 1.00 24.00 N ATOM 1071 CA LYS A 71 18.308 20.755 1.899 1.00 34.31 C ATOM 1072 C LYS A 71 18.767 21.638 0.743 1.00 34.40 C ATOM 1073 O LYS A 71 18.125 22.637 0.422 1.00 42.31 O ATOM 1074 CB LYS A 71 19.003 21.187 3.192 1.00 21.20 C ATOM 1075 CG LYS A 71 20.056 20.204 3.674 1.00 1.00 C ATOM 1076 CD LYS A 71 21.284 20.921 4.211 1.00 74.21 C ATOM 1077 CE LYS A 71 22.290 21.207 3.106 1.00 35.14 C ATOM 1078 NZ LYS A 71 23.194 22.336 3.459 1.00 41.10 N ATOM 0 H LYS A 71 18.780 18.788 2.450 1.00 24.00 H new ATOM 0 HA LYS A 71 17.231 20.872 2.016 1.00 34.31 H new ATOM 0 HB2 LYS A 71 19.470 22.159 3.036 1.00 21.20 H new ATOM 0 HB3 LYS A 71 18.253 21.315 3.973 1.00 21.20 H new ATOM 0 HG2 LYS A 71 19.634 19.570 4.454 1.00 1.00 H new ATOM 0 HG3 LYS A 71 20.346 19.549 2.853 1.00 1.00 H new ATOM 0 HD2 LYS A 71 20.983 21.857 4.682 1.00 74.21 H new ATOM 0 HD3 LYS A 71 21.754 20.312 4.983 1.00 74.21 H new ATOM 0 HE2 LYS A 71 22.883 20.313 2.914 1.00 35.14 H new ATOM 0 HE3 LYS A 71 21.759 21.441 2.183 1.00 35.14 H new ATOM 0 HZ1 LYS A 71 24.142 22.156 3.071 1.00 41.10 H new ATOM 0 HZ2 LYS A 71 22.819 23.220 3.059 1.00 41.10 H new ATOM 0 HZ3 LYS A 71 23.254 22.422 4.494 1.00 41.10 H new ATOM 1092 N GLU A 72 19.879 21.260 0.121 1.00 24.14 N ATOM 1093 CA GLU A 72 20.422 22.018 -1.000 1.00 3.35 C ATOM 1094 C GLU A 72 19.302 22.633 -1.834 1.00 63.21 C ATOM 1095 O GLU A 72 19.464 23.705 -2.417 1.00 13.22 O ATOM 1096 CB GLU A 72 21.293 21.119 -1.879 1.00 24.54 C ATOM 1097 CG GLU A 72 20.497 20.246 -2.835 1.00 0.44 C ATOM 1098 CD GLU A 72 21.382 19.369 -3.699 1.00 11.14 C ATOM 1099 OE1 GLU A 72 22.336 19.902 -4.303 1.00 3.25 O ATOM 1100 OE2 GLU A 72 21.120 18.150 -3.771 1.00 42.33 O ATOM 0 H GLU A 72 20.421 20.434 0.374 1.00 24.14 H new ATOM 0 HA GLU A 72 21.036 22.824 -0.597 1.00 3.35 H new ATOM 0 HB2 GLU A 72 21.978 21.742 -2.454 1.00 24.54 H new ATOM 0 HB3 GLU A 72 21.903 20.481 -1.240 1.00 24.54 H new ATOM 0 HG2 GLU A 72 19.815 19.616 -2.264 1.00 0.44 H new ATOM 0 HG3 GLU A 72 19.884 20.880 -3.476 1.00 0.44 H new ATOM 1107 N VAL A 73 18.166 21.945 -1.887 1.00 62.34 N ATOM 1108 CA VAL A 73 17.018 22.422 -2.650 1.00 25.33 C ATOM 1109 C VAL A 73 16.298 23.545 -1.913 1.00 33.14 C ATOM 1110 O VAL A 73 15.979 24.580 -2.497 1.00 5.23 O ATOM 1111 CB VAL A 73 16.020 21.284 -2.932 1.00 34.35 C ATOM 1112 CG1 VAL A 73 14.818 21.806 -3.705 1.00 5.54 C ATOM 1113 CG2 VAL A 73 16.700 20.153 -3.688 1.00 43.35 C ATOM 0 H VAL A 73 18.016 21.056 -1.411 1.00 62.34 H new ATOM 0 HA VAL A 73 17.402 22.801 -3.597 1.00 25.33 H new ATOM 0 HB VAL A 73 15.666 20.891 -1.979 1.00 34.35 H new ATOM 0 HG11 VAL A 73 14.124 20.987 -3.895 1.00 5.54 H new ATOM 0 HG12 VAL A 73 14.317 22.578 -3.121 1.00 5.54 H new ATOM 0 HG13 VAL A 73 15.151 22.227 -4.654 1.00 5.54 H new ATOM 0 HG21 VAL A 73 15.979 19.358 -3.878 1.00 43.35 H new ATOM 0 HG22 VAL A 73 17.085 20.529 -4.636 1.00 43.35 H new ATOM 0 HG23 VAL A 73 17.524 19.761 -3.092 1.00 43.35 H new ATOM 1123 N ALA A 74 16.043 23.333 -0.626 1.00 24.25 N ATOM 1124 CA ALA A 74 15.362 24.328 0.193 1.00 43.43 C ATOM 1125 C ALA A 74 16.217 25.580 0.359 1.00 1.21 C ATOM 1126 O ALA A 74 15.696 26.672 0.583 1.00 45.44 O ATOM 1127 CB ALA A 74 15.010 23.743 1.552 1.00 23.22 C ATOM 0 H ALA A 74 16.298 22.480 -0.128 1.00 24.25 H new ATOM 0 HA ALA A 74 14.441 24.613 -0.316 1.00 43.43 H new ATOM 0 HB1 ALA A 74 14.502 24.498 2.152 1.00 23.22 H new ATOM 0 HB2 ALA A 74 14.354 22.883 1.419 1.00 23.22 H new ATOM 0 HB3 ALA A 74 15.922 23.429 2.060 1.00 23.22 H new ATOM 1133 N GLU A 75 17.531 25.413 0.249 1.00 24.22 N ATOM 1134 CA GLU A 75 18.457 26.530 0.389 1.00 4.43 C ATOM 1135 C GLU A 75 18.394 27.446 -0.830 1.00 31.21 C ATOM 1136 O GLU A 75 18.825 28.598 -0.779 1.00 65.22 O ATOM 1137 CB GLU A 75 19.886 26.017 0.581 1.00 30.13 C ATOM 1138 CG GLU A 75 20.023 25.007 1.708 1.00 5.25 C ATOM 1139 CD GLU A 75 21.177 25.326 2.640 1.00 53.20 C ATOM 1140 OE1 GLU A 75 20.971 26.103 3.596 1.00 73.41 O ATOM 1141 OE2 GLU A 75 22.286 24.799 2.412 1.00 34.54 O ATOM 0 H GLU A 75 17.978 24.515 0.063 1.00 24.22 H new ATOM 0 HA GLU A 75 18.163 27.103 1.268 1.00 4.43 H new ATOM 0 HB2 GLU A 75 20.227 25.561 -0.348 1.00 30.13 H new ATOM 0 HB3 GLU A 75 20.543 26.863 0.781 1.00 30.13 H new ATOM 0 HG2 GLU A 75 19.096 24.979 2.280 1.00 5.25 H new ATOM 0 HG3 GLU A 75 20.167 24.013 1.285 1.00 5.25 H new ATOM 1148 N LYS A 76 17.853 26.925 -1.926 1.00 61.30 N ATOM 1149 CA LYS A 76 17.731 27.693 -3.159 1.00 63.13 C ATOM 1150 C LYS A 76 16.446 28.515 -3.164 1.00 24.14 C ATOM 1151 O LYS A 76 16.394 29.600 -3.743 1.00 4.34 O ATOM 1152 CB LYS A 76 17.756 26.759 -4.371 1.00 34.50 C ATOM 1153 CG LYS A 76 16.374 26.379 -4.874 1.00 53.13 C ATOM 1154 CD LYS A 76 16.385 25.029 -5.571 1.00 63.21 C ATOM 1155 CE LYS A 76 16.089 25.166 -7.057 1.00 23.33 C ATOM 1156 NZ LYS A 76 15.814 23.847 -7.691 1.00 63.13 N ATOM 0 H LYS A 76 17.492 25.973 -1.985 1.00 61.30 H new ATOM 0 HA LYS A 76 18.578 28.376 -3.217 1.00 63.13 H new ATOM 0 HB2 LYS A 76 18.308 27.240 -5.179 1.00 34.50 H new ATOM 0 HB3 LYS A 76 18.300 25.852 -4.109 1.00 34.50 H new ATOM 0 HG2 LYS A 76 15.676 26.351 -4.037 1.00 53.13 H new ATOM 0 HG3 LYS A 76 16.014 27.143 -5.564 1.00 53.13 H new ATOM 0 HD2 LYS A 76 17.358 24.556 -5.435 1.00 63.21 H new ATOM 0 HD3 LYS A 76 15.645 24.375 -5.110 1.00 63.21 H new ATOM 0 HE2 LYS A 76 15.230 25.823 -7.197 1.00 23.33 H new ATOM 0 HE3 LYS A 76 16.936 25.638 -7.554 1.00 23.33 H new ATOM 0 HZ1 LYS A 76 16.218 23.831 -8.649 1.00 63.13 H new ATOM 0 HZ2 LYS A 76 16.245 23.091 -7.121 1.00 63.13 H new ATOM 0 HZ3 LYS A 76 14.787 23.696 -7.746 1.00 63.13 H new ATOM 1170 N TYR A 77 15.413 27.992 -2.514 1.00 33.31 N ATOM 1171 CA TYR A 77 14.128 28.677 -2.444 1.00 34.01 C ATOM 1172 C TYR A 77 14.000 29.463 -1.143 1.00 13.32 C ATOM 1173 O TYR A 77 13.138 30.331 -1.011 1.00 51.34 O ATOM 1174 CB TYR A 77 12.982 27.670 -2.559 1.00 60.00 C ATOM 1175 CG TYR A 77 12.973 26.910 -3.866 1.00 23.41 C ATOM 1176 CD1 TYR A 77 13.361 27.522 -5.051 1.00 73.34 C ATOM 1177 CD2 TYR A 77 12.579 25.578 -3.915 1.00 15.23 C ATOM 1178 CE1 TYR A 77 13.353 26.831 -6.248 1.00 24.14 C ATOM 1179 CE2 TYR A 77 12.570 24.879 -5.106 1.00 55.02 C ATOM 1180 CZ TYR A 77 12.957 25.510 -6.270 1.00 23.21 C ATOM 1181 OH TYR A 77 12.950 24.818 -7.459 1.00 61.23 O ATOM 0 H TYR A 77 15.440 27.096 -2.028 1.00 33.31 H new ATOM 0 HA TYR A 77 14.073 29.377 -3.278 1.00 34.01 H new ATOM 0 HB2 TYR A 77 13.050 26.959 -1.735 1.00 60.00 H new ATOM 0 HB3 TYR A 77 12.034 28.197 -2.448 1.00 60.00 H new ATOM 0 HD1 TYR A 77 13.674 28.555 -5.037 1.00 73.34 H new ATOM 0 HD2 TYR A 77 12.275 25.081 -3.006 1.00 15.23 H new ATOM 0 HE1 TYR A 77 13.655 27.323 -7.161 1.00 24.14 H new ATOM 0 HE2 TYR A 77 12.262 23.844 -5.126 1.00 55.02 H new ATOM 0 HH TYR A 77 12.646 23.900 -7.301 1.00 61.23 H new ATOM 1191 N ASN A 78 14.865 29.152 -0.183 1.00 43.04 N ATOM 1192 CA ASN A 78 14.850 29.829 1.108 1.00 24.34 C ATOM 1193 C ASN A 78 13.623 29.425 1.920 1.00 52.53 C ATOM 1194 O ASN A 78 12.674 30.198 2.055 1.00 74.40 O ATOM 1195 CB ASN A 78 14.870 31.346 0.913 1.00 45.10 C ATOM 1196 CG ASN A 78 15.224 32.089 2.187 1.00 33.52 C ATOM 1197 OD1 ASN A 78 14.532 33.026 2.585 1.00 50.24 O ATOM 1198 ND2 ASN A 78 16.306 31.671 2.834 1.00 13.23 N ATOM 0 H ASN A 78 15.585 28.435 -0.275 1.00 43.04 H new ATOM 0 HA ASN A 78 15.742 29.529 1.658 1.00 24.34 H new ATOM 0 HB2 ASN A 78 15.591 31.600 0.136 1.00 45.10 H new ATOM 0 HB3 ASN A 78 13.893 31.677 0.562 1.00 45.10 H new ATOM 0 HD21 ASN A 78 16.593 32.131 3.698 1.00 13.23 H new ATOM 0 HD22 ASN A 78 16.850 30.890 2.467 1.00 13.23 H new ATOM 1246 N MET A 82 10.666 23.882 7.481 1.00 62.03 N ATOM 1247 CA MET A 82 9.239 23.696 7.717 1.00 62.22 C ATOM 1248 C MET A 82 8.551 23.139 6.474 1.00 12.45 C ATOM 1249 O MET A 82 9.096 23.162 5.371 1.00 70.32 O ATOM 1250 CB MET A 82 8.591 25.020 8.123 1.00 13.44 C ATOM 1251 CG MET A 82 7.857 25.713 6.986 1.00 65.51 C ATOM 1252 SD MET A 82 8.789 27.095 6.298 1.00 21.33 S ATOM 1253 CE MET A 82 10.121 26.228 5.472 1.00 30.22 C ATOM 0 HA MET A 82 9.120 22.978 8.529 1.00 62.22 H new ATOM 0 HB2 MET A 82 7.891 24.837 8.938 1.00 13.44 H new ATOM 0 HB3 MET A 82 9.361 25.689 8.508 1.00 13.44 H new ATOM 0 HG2 MET A 82 7.652 24.990 6.197 1.00 65.51 H new ATOM 0 HG3 MET A 82 6.894 26.073 7.347 1.00 65.51 H new ATOM 0 HE1 MET A 82 10.379 26.750 4.551 1.00 30.22 H new ATOM 0 HE2 MET A 82 10.993 26.193 6.126 1.00 30.22 H new ATOM 0 HE3 MET A 82 9.803 25.212 5.236 1.00 30.22 H new ATOM 1263 N PRO A 83 7.324 22.628 6.656 1.00 63.44 N ATOM 1264 CA PRO A 83 6.535 22.056 5.560 1.00 23.03 C ATOM 1265 C PRO A 83 6.054 23.118 4.577 1.00 31.42 C ATOM 1266 O PRO A 83 4.916 23.075 4.109 1.00 53.03 O ATOM 1267 CB PRO A 83 5.346 21.413 6.278 1.00 71.02 C ATOM 1268 CG PRO A 83 5.216 22.174 7.552 1.00 74.11 C ATOM 1269 CD PRO A 83 6.613 22.568 7.944 1.00 51.04 C ATOM 0 HA PRO A 83 7.117 21.357 4.960 1.00 23.03 H new ATOM 0 HB2 PRO A 83 4.437 21.484 5.680 1.00 71.02 H new ATOM 0 HB3 PRO A 83 5.523 20.354 6.466 1.00 71.02 H new ATOM 0 HG2 PRO A 83 4.586 23.053 7.419 1.00 74.11 H new ATOM 0 HG3 PRO A 83 4.751 21.563 8.326 1.00 74.11 H new ATOM 0 HD2 PRO A 83 6.630 23.529 8.458 1.00 51.04 H new ATOM 0 HD3 PRO A 83 7.062 21.838 8.618 1.00 51.04 H new ATOM 1277 N THR A 84 6.928 24.071 4.267 1.00 33.53 N ATOM 1278 CA THR A 84 6.591 25.144 3.340 1.00 24.33 C ATOM 1279 C THR A 84 6.295 24.596 1.949 1.00 33.21 C ATOM 1280 O THR A 84 7.165 24.014 1.302 1.00 62.34 O ATOM 1281 CB THR A 84 7.729 26.177 3.241 1.00 43.12 C ATOM 1282 OG1 THR A 84 7.365 27.375 3.935 1.00 1.31 O ATOM 1283 CG2 THR A 84 8.040 26.502 1.787 1.00 31.34 C ATOM 0 H THR A 84 7.874 24.121 4.644 1.00 33.53 H new ATOM 0 HA THR A 84 5.699 25.633 3.732 1.00 24.33 H new ATOM 0 HB THR A 84 8.620 25.748 3.700 1.00 43.12 H new ATOM 0 HG1 THR A 84 7.397 27.216 4.901 1.00 1.31 H new ATOM 0 HG21 THR A 84 8.847 27.234 1.742 1.00 31.34 H new ATOM 0 HG22 THR A 84 8.345 25.593 1.268 1.00 31.34 H new ATOM 0 HG23 THR A 84 7.151 26.912 1.308 1.00 31.34 H new ATOM 1291 N PHE A 85 5.061 24.786 1.494 1.00 12.01 N ATOM 1292 CA PHE A 85 4.649 24.310 0.179 1.00 42.25 C ATOM 1293 C PHE A 85 5.177 25.227 -0.921 1.00 63.11 C ATOM 1294 O PHE A 85 4.405 25.815 -1.679 1.00 51.30 O ATOM 1295 CB PHE A 85 3.124 24.225 0.098 1.00 74.21 C ATOM 1296 CG PHE A 85 2.601 22.817 0.104 1.00 70.34 C ATOM 1297 CD1 PHE A 85 2.903 21.947 -0.932 1.00 53.53 C ATOM 1298 CD2 PHE A 85 1.807 22.362 1.145 1.00 44.43 C ATOM 1299 CE1 PHE A 85 2.424 20.651 -0.930 1.00 74.11 C ATOM 1300 CE2 PHE A 85 1.326 21.067 1.153 1.00 70.04 C ATOM 1301 CZ PHE A 85 1.633 20.211 0.113 1.00 23.54 C ATOM 0 H PHE A 85 4.329 25.266 2.017 1.00 12.01 H new ATOM 0 HA PHE A 85 5.070 23.315 0.033 1.00 42.25 H new ATOM 0 HB2 PHE A 85 2.693 24.768 0.939 1.00 74.21 H new ATOM 0 HB3 PHE A 85 2.788 24.725 -0.810 1.00 74.21 H new ATOM 0 HD1 PHE A 85 3.520 22.286 -1.751 1.00 53.53 H new ATOM 0 HD2 PHE A 85 1.562 23.028 1.959 1.00 44.43 H new ATOM 0 HE1 PHE A 85 2.668 19.983 -1.743 1.00 74.11 H new ATOM 0 HE2 PHE A 85 0.711 20.724 1.972 1.00 70.04 H new ATOM 0 HZ PHE A 85 1.255 19.199 0.116 1.00 23.54 H new ATOM 1311 N LEU A 86 6.498 25.344 -1.002 1.00 21.13 N ATOM 1312 CA LEU A 86 7.131 26.189 -2.008 1.00 3.20 C ATOM 1313 C LEU A 86 6.546 25.921 -3.391 1.00 10.32 C ATOM 1314 O LEU A 86 6.226 24.782 -3.731 1.00 43.11 O ATOM 1315 CB LEU A 86 8.642 25.950 -2.026 1.00 61.10 C ATOM 1316 CG LEU A 86 9.516 27.190 -2.219 1.00 32.02 C ATOM 1317 CD1 LEU A 86 8.827 28.192 -3.133 1.00 32.45 C ATOM 1318 CD2 LEU A 86 9.842 27.827 -0.876 1.00 34.24 C ATOM 0 H LEU A 86 7.151 24.864 -0.383 1.00 21.13 H new ATOM 0 HA LEU A 86 6.937 27.229 -1.747 1.00 3.20 H new ATOM 0 HB2 LEU A 86 8.925 25.473 -1.088 1.00 61.10 H new ATOM 0 HB3 LEU A 86 8.868 25.243 -2.824 1.00 61.10 H new ATOM 0 HG LEU A 86 10.450 26.883 -2.689 1.00 32.02 H new ATOM 0 HD11 LEU A 86 9.464 29.068 -3.259 1.00 32.45 H new ATOM 0 HD12 LEU A 86 8.645 27.733 -4.105 1.00 32.45 H new ATOM 0 HD13 LEU A 86 7.877 28.494 -2.691 1.00 32.45 H new ATOM 0 HD21 LEU A 86 10.465 28.708 -1.033 1.00 34.24 H new ATOM 0 HD22 LEU A 86 8.918 28.120 -0.378 1.00 34.24 H new ATOM 0 HD23 LEU A 86 10.378 27.110 -0.254 1.00 34.24 H new ATOM 1330 N PHE A 87 6.410 26.978 -4.185 1.00 2.10 N ATOM 1331 CA PHE A 87 5.865 26.857 -5.532 1.00 14.11 C ATOM 1332 C PHE A 87 6.871 27.341 -6.572 1.00 21.51 C ATOM 1333 O PHE A 87 7.584 28.320 -6.353 1.00 12.54 O ATOM 1334 CB PHE A 87 4.566 27.657 -5.653 1.00 34.34 C ATOM 1335 CG PHE A 87 3.403 27.022 -4.945 1.00 31.21 C ATOM 1336 CD1 PHE A 87 3.318 27.048 -3.562 1.00 41.12 C ATOM 1337 CD2 PHE A 87 2.395 26.398 -5.662 1.00 51.15 C ATOM 1338 CE1 PHE A 87 2.249 26.465 -2.908 1.00 2.12 C ATOM 1339 CE2 PHE A 87 1.324 25.814 -5.014 1.00 35.14 C ATOM 1340 CZ PHE A 87 1.251 25.846 -3.635 1.00 2.33 C ATOM 0 H PHE A 87 6.670 27.928 -3.919 1.00 2.10 H new ATOM 0 HA PHE A 87 5.655 25.804 -5.718 1.00 14.11 H new ATOM 0 HB2 PHE A 87 4.725 28.657 -5.249 1.00 34.34 H new ATOM 0 HB3 PHE A 87 4.318 27.775 -6.708 1.00 34.34 H new ATOM 0 HD1 PHE A 87 4.096 27.529 -2.988 1.00 41.12 H new ATOM 0 HD2 PHE A 87 2.447 26.368 -6.740 1.00 51.15 H new ATOM 0 HE1 PHE A 87 2.194 26.493 -1.830 1.00 2.12 H new ATOM 0 HE2 PHE A 87 0.544 25.333 -5.585 1.00 35.14 H new ATOM 0 HZ PHE A 87 0.415 25.388 -3.126 1.00 2.33 H new ATOM 1350 N ILE A 88 6.923 26.646 -7.703 1.00 64.23 N ATOM 1351 CA ILE A 88 7.842 27.004 -8.777 1.00 74.02 C ATOM 1352 C ILE A 88 7.109 27.125 -10.109 1.00 62.33 C ATOM 1353 O ILE A 88 7.183 26.232 -10.954 1.00 54.22 O ATOM 1354 CB ILE A 88 8.974 25.969 -8.919 1.00 14.35 C ATOM 1355 CG1 ILE A 88 9.498 25.563 -7.540 1.00 1.33 C ATOM 1356 CG2 ILE A 88 10.099 26.529 -9.775 1.00 41.35 C ATOM 1357 CD1 ILE A 88 10.150 26.699 -6.783 1.00 4.01 C ATOM 0 H ILE A 88 6.340 25.832 -7.900 1.00 64.23 H new ATOM 0 HA ILE A 88 8.275 27.969 -8.513 1.00 74.02 H new ATOM 0 HB ILE A 88 8.576 25.082 -9.412 1.00 14.35 H new ATOM 0 HG12 ILE A 88 8.672 25.169 -6.948 1.00 1.33 H new ATOM 0 HG13 ILE A 88 10.219 24.754 -7.658 1.00 1.33 H new ATOM 0 HG21 ILE A 88 10.891 25.786 -9.866 1.00 41.35 H new ATOM 0 HG22 ILE A 88 9.715 26.774 -10.766 1.00 41.35 H new ATOM 0 HG23 ILE A 88 10.498 27.429 -9.308 1.00 41.35 H new ATOM 0 HD11 ILE A 88 10.498 26.339 -5.815 1.00 4.01 H new ATOM 0 HD12 ILE A 88 10.997 27.078 -7.355 1.00 4.01 H new ATOM 0 HD13 ILE A 88 9.426 27.500 -6.633 1.00 4.01 H new ATOM 1369 N LYS A 89 6.404 28.236 -10.292 1.00 35.44 N ATOM 1370 CA LYS A 89 5.659 28.477 -11.522 1.00 64.41 C ATOM 1371 C LYS A 89 6.590 28.940 -12.639 1.00 34.33 C ATOM 1372 O LYS A 89 7.286 29.945 -12.502 1.00 4.41 O ATOM 1373 CB LYS A 89 4.568 29.523 -11.286 1.00 3.52 C ATOM 1374 CG LYS A 89 3.867 29.969 -12.557 1.00 43.04 C ATOM 1375 CD LYS A 89 3.222 31.335 -12.389 1.00 64.45 C ATOM 1376 CE LYS A 89 2.167 31.322 -11.294 1.00 72.35 C ATOM 1377 NZ LYS A 89 0.980 32.144 -11.659 1.00 32.14 N ATOM 0 H LYS A 89 6.333 28.985 -9.603 1.00 35.44 H new ATOM 0 HA LYS A 89 5.194 27.539 -11.825 1.00 64.41 H new ATOM 0 HB2 LYS A 89 3.828 29.115 -10.597 1.00 3.52 H new ATOM 0 HB3 LYS A 89 5.010 30.393 -10.800 1.00 3.52 H new ATOM 0 HG2 LYS A 89 4.585 30.003 -13.377 1.00 43.04 H new ATOM 0 HG3 LYS A 89 3.106 29.238 -12.830 1.00 43.04 H new ATOM 0 HD2 LYS A 89 3.988 32.073 -12.149 1.00 64.45 H new ATOM 0 HD3 LYS A 89 2.767 31.642 -13.331 1.00 64.45 H new ATOM 0 HE2 LYS A 89 1.854 30.296 -11.104 1.00 72.35 H new ATOM 0 HE3 LYS A 89 2.600 31.700 -10.368 1.00 72.35 H new ATOM 0 HZ1 LYS A 89 0.284 32.110 -10.887 1.00 32.14 H new ATOM 0 HZ2 LYS A 89 1.275 33.129 -11.816 1.00 32.14 H new ATOM 0 HZ3 LYS A 89 0.552 31.768 -12.529 1.00 32.14 H new ATOM 1391 N ASP A 90 6.594 28.201 -13.743 1.00 24.02 N ATOM 1392 CA ASP A 90 7.437 28.538 -14.884 1.00 63.43 C ATOM 1393 C ASP A 90 8.852 27.999 -14.693 1.00 74.00 C ATOM 1394 O ASP A 90 9.633 27.929 -15.640 1.00 63.54 O ATOM 1395 CB ASP A 90 7.478 30.053 -15.086 1.00 3.23 C ATOM 1396 CG ASP A 90 7.742 30.439 -16.528 1.00 75.42 C ATOM 1397 OD1 ASP A 90 8.506 29.719 -17.204 1.00 3.31 O ATOM 1398 OD2 ASP A 90 7.183 31.460 -16.981 1.00 44.11 O ATOM 0 H ASP A 90 6.023 27.365 -13.872 1.00 24.02 H new ATOM 0 HA ASP A 90 7.007 28.073 -15.771 1.00 63.43 H new ATOM 0 HB2 ASP A 90 6.530 30.485 -14.765 1.00 3.23 H new ATOM 0 HB3 ASP A 90 8.254 30.480 -14.451 1.00 3.23 H new ATOM 1403 N GLY A 91 9.174 27.621 -13.460 1.00 31.33 N ATOM 1404 CA GLY A 91 10.494 27.095 -13.166 1.00 62.43 C ATOM 1405 C GLY A 91 11.359 28.085 -12.412 1.00 14.31 C ATOM 1406 O GLY A 91 12.532 28.267 -12.735 1.00 1.14 O ATOM 0 H GLY A 91 8.544 27.670 -12.659 1.00 31.33 H new ATOM 0 HA2 GLY A 91 10.395 26.182 -12.578 1.00 62.43 H new ATOM 0 HA3 GLY A 91 10.988 26.822 -14.098 1.00 62.43 H new ATOM 1410 N ALA A 92 10.777 28.729 -11.405 1.00 20.10 N ATOM 1411 CA ALA A 92 11.502 29.706 -10.603 1.00 1.24 C ATOM 1412 C ALA A 92 10.986 29.730 -9.168 1.00 24.43 C ATOM 1413 O ALA A 92 11.522 29.047 -8.295 1.00 41.03 O ATOM 1414 CB ALA A 92 11.392 31.089 -11.228 1.00 35.11 C ATOM 0 H ALA A 92 9.806 28.591 -11.126 1.00 20.10 H new ATOM 0 HA ALA A 92 12.551 29.412 -10.580 1.00 1.24 H new ATOM 0 HB1 ALA A 92 11.938 31.808 -10.618 1.00 35.11 H new ATOM 0 HB2 ALA A 92 11.815 31.069 -12.232 1.00 35.11 H new ATOM 0 HB3 ALA A 92 10.343 31.381 -11.282 1.00 35.11 H new ATOM 1420 N GLU A 93 9.944 30.520 -8.931 1.00 71.02 N ATOM 1421 CA GLU A 93 9.358 30.632 -7.601 1.00 12.52 C ATOM 1422 C GLU A 93 8.112 31.514 -7.628 1.00 23.23 C ATOM 1423 O GLU A 93 8.206 32.735 -7.752 1.00 75.41 O ATOM 1424 CB GLU A 93 10.380 31.204 -6.616 1.00 15.42 C ATOM 1425 CG GLU A 93 10.113 30.820 -5.170 1.00 70.53 C ATOM 1426 CD GLU A 93 11.346 30.944 -4.297 1.00 21.14 C ATOM 1427 OE1 GLU A 93 12.382 30.338 -4.644 1.00 12.33 O ATOM 1428 OE2 GLU A 93 11.276 31.646 -3.266 1.00 73.14 O ATOM 0 H GLU A 93 9.488 31.092 -9.642 1.00 71.02 H new ATOM 0 HA GLU A 93 9.068 29.633 -7.274 1.00 12.52 H new ATOM 0 HB2 GLU A 93 11.375 30.859 -6.897 1.00 15.42 H new ATOM 0 HB3 GLU A 93 10.384 32.291 -6.700 1.00 15.42 H new ATOM 0 HG2 GLU A 93 9.323 31.455 -4.769 1.00 70.53 H new ATOM 0 HG3 GLU A 93 9.747 29.794 -5.132 1.00 70.53 H new ATOM 1435 N ALA A 94 6.947 30.885 -7.511 1.00 2.33 N ATOM 1436 CA ALA A 94 5.683 31.611 -7.520 1.00 43.21 C ATOM 1437 C ALA A 94 5.293 32.053 -6.114 1.00 24.34 C ATOM 1438 O ALA A 94 4.664 33.095 -5.932 1.00 74.10 O ATOM 1439 CB ALA A 94 4.585 30.752 -8.129 1.00 24.51 C ATOM 0 H ALA A 94 6.852 29.875 -7.409 1.00 2.33 H new ATOM 0 HA ALA A 94 5.811 32.505 -8.131 1.00 43.21 H new ATOM 0 HB1 ALA A 94 3.647 31.307 -8.129 1.00 24.51 H new ATOM 0 HB2 ALA A 94 4.853 30.491 -9.153 1.00 24.51 H new ATOM 0 HB3 ALA A 94 4.468 29.841 -7.542 1.00 24.51 H new ATOM 1445 N ASP A 95 5.671 31.253 -5.122 1.00 13.52 N ATOM 1446 CA ASP A 95 5.361 31.562 -3.731 1.00 14.32 C ATOM 1447 C ASP A 95 5.394 30.301 -2.874 1.00 34.23 C ATOM 1448 O ASP A 95 5.692 29.211 -3.364 1.00 11.51 O ATOM 1449 CB ASP A 95 3.987 32.228 -3.628 1.00 5.12 C ATOM 1450 CG ASP A 95 4.082 33.738 -3.535 1.00 53.34 C ATOM 1451 OD1 ASP A 95 4.868 34.234 -2.701 1.00 42.23 O ATOM 1452 OD2 ASP A 95 3.370 34.425 -4.298 1.00 33.52 O ATOM 0 H ASP A 95 6.192 30.386 -5.256 1.00 13.52 H new ATOM 0 HA ASP A 95 6.119 32.252 -3.360 1.00 14.32 H new ATOM 0 HB2 ASP A 95 3.389 31.957 -4.498 1.00 5.12 H new ATOM 0 HB3 ASP A 95 3.465 31.845 -2.751 1.00 5.12 H new ATOM 1457 N LYS A 96 5.086 30.455 -1.590 1.00 43.53 N ATOM 1458 CA LYS A 96 5.080 29.330 -0.663 1.00 62.14 C ATOM 1459 C LYS A 96 3.763 29.264 0.104 1.00 64.13 C ATOM 1460 O LYS A 96 2.818 29.990 -0.203 1.00 33.10 O ATOM 1461 CB LYS A 96 6.249 29.444 0.318 1.00 41.23 C ATOM 1462 CG LYS A 96 7.502 30.046 -0.296 1.00 34.41 C ATOM 1463 CD LYS A 96 7.708 31.483 0.153 1.00 74.31 C ATOM 1464 CE LYS A 96 8.839 31.594 1.163 1.00 45.43 C ATOM 1465 NZ LYS A 96 9.191 33.013 1.447 1.00 10.31 N ATOM 0 H LYS A 96 4.837 31.350 -1.168 1.00 43.53 H new ATOM 0 HA LYS A 96 5.189 28.413 -1.243 1.00 62.14 H new ATOM 0 HB2 LYS A 96 5.942 30.054 1.167 1.00 41.23 H new ATOM 0 HB3 LYS A 96 6.485 28.453 0.706 1.00 41.23 H new ATOM 0 HG2 LYS A 96 8.369 29.448 -0.015 1.00 34.41 H new ATOM 0 HG3 LYS A 96 7.429 30.010 -1.383 1.00 34.41 H new ATOM 0 HD2 LYS A 96 7.929 32.108 -0.712 1.00 74.31 H new ATOM 0 HD3 LYS A 96 6.786 31.863 0.594 1.00 74.31 H new ATOM 0 HE2 LYS A 96 8.548 31.099 2.090 1.00 45.43 H new ATOM 0 HE3 LYS A 96 9.717 31.071 0.784 1.00 45.43 H new ATOM 0 HZ1 LYS A 96 9.966 33.046 2.140 1.00 10.31 H new ATOM 0 HZ2 LYS A 96 9.493 33.479 0.567 1.00 10.31 H new ATOM 0 HZ3 LYS A 96 8.360 33.506 1.832 1.00 10.31 H new ATOM 1479 N VAL A 97 3.709 28.390 1.104 1.00 64.23 N ATOM 1480 CA VAL A 97 2.509 28.231 1.916 1.00 4.25 C ATOM 1481 C VAL A 97 2.825 27.526 3.231 1.00 61.34 C ATOM 1482 O VAL A 97 3.248 28.156 4.200 1.00 33.22 O ATOM 1483 CB VAL A 97 1.425 27.435 1.167 1.00 71.03 C ATOM 1484 CG1 VAL A 97 0.338 26.977 2.128 1.00 63.14 C ATOM 1485 CG2 VAL A 97 0.835 28.270 0.040 1.00 33.23 C ATOM 0 H VAL A 97 4.483 27.781 1.371 1.00 64.23 H new ATOM 0 HA VAL A 97 2.133 29.233 2.125 1.00 4.25 H new ATOM 0 HB VAL A 97 1.886 26.549 0.730 1.00 71.03 H new ATOM 0 HG11 VAL A 97 -0.419 26.416 1.580 1.00 63.14 H new ATOM 0 HG12 VAL A 97 0.776 26.340 2.896 1.00 63.14 H new ATOM 0 HG13 VAL A 97 -0.123 27.846 2.597 1.00 63.14 H new ATOM 0 HG21 VAL A 97 0.070 27.692 -0.479 1.00 33.23 H new ATOM 0 HG22 VAL A 97 0.388 29.175 0.453 1.00 33.23 H new ATOM 0 HG23 VAL A 97 1.623 28.542 -0.662 1.00 33.23 H new ATOM 1495 N VAL A 98 2.618 26.213 3.256 1.00 35.00 N ATOM 1496 CA VAL A 98 2.881 25.420 4.451 1.00 44.21 C ATOM 1497 C VAL A 98 2.070 24.130 4.444 1.00 20.43 C ATOM 1498 O VAL A 98 0.926 24.105 3.992 1.00 2.31 O ATOM 1499 CB VAL A 98 2.557 26.211 5.732 1.00 0.11 C ATOM 1500 CG1 VAL A 98 1.900 25.308 6.765 1.00 0.41 C ATOM 1501 CG2 VAL A 98 3.817 26.851 6.296 1.00 54.53 C ATOM 0 H VAL A 98 2.269 25.676 2.462 1.00 35.00 H new ATOM 0 HA VAL A 98 3.944 25.177 4.442 1.00 44.21 H new ATOM 0 HB VAL A 98 1.855 27.006 5.480 1.00 0.11 H new ATOM 0 HG11 VAL A 98 1.678 25.884 7.663 1.00 0.41 H new ATOM 0 HG12 VAL A 98 0.975 24.902 6.357 1.00 0.41 H new ATOM 0 HG13 VAL A 98 2.576 24.490 7.016 1.00 0.41 H new ATOM 0 HG21 VAL A 98 3.569 27.406 7.201 1.00 54.53 H new ATOM 0 HG22 VAL A 98 4.544 26.075 6.534 1.00 54.53 H new ATOM 0 HG23 VAL A 98 4.241 27.532 5.558 1.00 54.53 H new ATOM 1511 N GLY A 99 2.671 23.057 4.950 1.00 33.42 N ATOM 1512 CA GLY A 99 1.989 21.776 4.994 1.00 41.14 C ATOM 1513 C GLY A 99 1.257 21.553 6.302 1.00 0.11 C ATOM 1514 O GLY A 99 1.397 20.503 6.928 1.00 73.31 O ATOM 0 H GLY A 99 3.618 23.052 5.330 1.00 33.42 H new ATOM 0 HA2 GLY A 99 1.279 21.718 4.169 1.00 41.14 H new ATOM 0 HA3 GLY A 99 2.715 20.976 4.847 1.00 41.14 H new ATOM 1518 N ALA A 100 0.475 22.544 6.718 1.00 45.55 N ATOM 1519 CA ALA A 100 -0.281 22.451 7.960 1.00 53.32 C ATOM 1520 C ALA A 100 -1.498 23.370 7.932 1.00 51.14 C ATOM 1521 O ALA A 100 -2.083 23.673 8.971 1.00 35.55 O ATOM 1522 CB ALA A 100 0.609 22.788 9.147 1.00 61.23 C ATOM 0 H ALA A 100 0.349 23.421 6.212 1.00 45.55 H new ATOM 0 HA ALA A 100 -0.635 21.425 8.065 1.00 53.32 H new ATOM 0 HB1 ALA A 100 0.031 22.714 10.068 1.00 61.23 H new ATOM 0 HB2 ALA A 100 1.444 22.088 9.186 1.00 61.23 H new ATOM 0 HB3 ALA A 100 0.991 23.803 9.039 1.00 61.23 H new ATOM 1528 N ARG A 101 -1.873 23.811 6.735 1.00 1.43 N ATOM 1529 CA ARG A 101 -3.019 24.697 6.573 1.00 51.54 C ATOM 1530 C ARG A 101 -3.949 24.188 5.475 1.00 22.12 C ATOM 1531 O ARG A 101 -3.582 24.156 4.300 1.00 1.34 O ATOM 1532 CB ARG A 101 -2.551 26.116 6.241 1.00 32.25 C ATOM 1533 CG ARG A 101 -2.498 27.037 7.449 1.00 12.22 C ATOM 1534 CD ARG A 101 -1.635 26.454 8.557 1.00 35.03 C ATOM 1535 NE ARG A 101 -1.007 27.494 9.367 1.00 41.53 N ATOM 1536 CZ ARG A 101 -0.563 27.296 10.603 1.00 51.31 C ATOM 1537 NH1 ARG A 101 -0.678 26.103 11.169 1.00 70.33 N ATOM 1538 NH2 ARG A 101 -0.002 28.293 11.276 1.00 54.14 N ATOM 0 H ARG A 101 -1.400 23.569 5.864 1.00 1.43 H new ATOM 0 HA ARG A 101 -3.569 24.713 7.514 1.00 51.54 H new ATOM 0 HB2 ARG A 101 -1.561 26.067 5.788 1.00 32.25 H new ATOM 0 HB3 ARG A 101 -3.221 26.546 5.496 1.00 32.25 H new ATOM 0 HG2 ARG A 101 -2.102 28.008 7.151 1.00 12.22 H new ATOM 0 HG3 ARG A 101 -3.508 27.206 7.824 1.00 12.22 H new ATOM 0 HD2 ARG A 101 -2.247 25.817 9.196 1.00 35.03 H new ATOM 0 HD3 ARG A 101 -0.864 25.820 8.120 1.00 35.03 H new ATOM 0 HE ARG A 101 -0.904 28.424 8.961 1.00 41.53 H new ATOM 0 HH11 ARG A 101 -1.108 25.334 10.655 1.00 70.33 H new ATOM 0 HH12 ARG A 101 -0.336 25.954 12.118 1.00 70.33 H new ATOM 0 HH21 ARG A 101 0.089 29.213 10.844 1.00 54.14 H new ATOM 0 HH22 ARG A 101 0.339 28.140 12.225 1.00 54.14 H new ATOM 1552 N LYS A 102 -5.154 23.789 5.866 1.00 33.14 N ATOM 1553 CA LYS A 102 -6.138 23.281 4.917 1.00 10.14 C ATOM 1554 C LYS A 102 -6.926 24.425 4.286 1.00 64.31 C ATOM 1555 O LYS A 102 -7.901 24.198 3.569 1.00 23.13 O ATOM 1556 CB LYS A 102 -7.096 22.312 5.614 1.00 62.21 C ATOM 1557 CG LYS A 102 -7.461 21.105 4.768 1.00 71.54 C ATOM 1558 CD LYS A 102 -8.674 21.381 3.896 1.00 54.22 C ATOM 1559 CE LYS A 102 -9.568 20.156 3.780 1.00 54.23 C ATOM 1560 NZ LYS A 102 -10.834 20.318 4.548 1.00 24.04 N ATOM 0 H LYS A 102 -5.473 23.807 6.835 1.00 33.14 H new ATOM 0 HA LYS A 102 -5.605 22.751 4.128 1.00 10.14 H new ATOM 0 HB2 LYS A 102 -6.641 21.970 6.543 1.00 62.21 H new ATOM 0 HB3 LYS A 102 -8.007 22.846 5.883 1.00 62.21 H new ATOM 0 HG2 LYS A 102 -6.614 20.831 4.139 1.00 71.54 H new ATOM 0 HG3 LYS A 102 -7.665 20.253 5.417 1.00 71.54 H new ATOM 0 HD2 LYS A 102 -9.244 22.210 4.316 1.00 54.22 H new ATOM 0 HD3 LYS A 102 -8.347 21.689 2.903 1.00 54.22 H new ATOM 0 HE2 LYS A 102 -9.801 19.974 2.731 1.00 54.23 H new ATOM 0 HE3 LYS A 102 -9.032 19.280 4.144 1.00 54.23 H new ATOM 0 HZ1 LYS A 102 -11.415 19.462 4.443 1.00 24.04 H new ATOM 0 HZ2 LYS A 102 -10.614 20.466 5.554 1.00 24.04 H new ATOM 0 HZ3 LYS A 102 -11.358 21.139 4.184 1.00 24.04 H new ATOM 1574 N ASP A 103 -6.496 25.652 4.555 1.00 3.42 N ATOM 1575 CA ASP A 103 -7.159 26.831 4.011 1.00 53.40 C ATOM 1576 C ASP A 103 -6.170 27.709 3.251 1.00 51.50 C ATOM 1577 O ASP A 103 -6.563 28.652 2.563 1.00 63.22 O ATOM 1578 CB ASP A 103 -7.817 27.636 5.133 1.00 52.20 C ATOM 1579 CG ASP A 103 -6.833 28.031 6.216 1.00 23.12 C ATOM 1580 OD1 ASP A 103 -6.198 27.127 6.800 1.00 40.23 O ATOM 1581 OD2 ASP A 103 -6.696 29.244 6.480 1.00 74.30 O ATOM 0 H ASP A 103 -5.691 25.857 5.147 1.00 3.42 H new ATOM 0 HA ASP A 103 -7.928 26.496 3.315 1.00 53.40 H new ATOM 0 HB2 ASP A 103 -8.271 28.534 4.714 1.00 52.20 H new ATOM 0 HB3 ASP A 103 -8.622 27.048 5.574 1.00 52.20 H new ATOM 1586 N ASP A 104 -4.886 27.395 3.381 1.00 31.52 N ATOM 1587 CA ASP A 104 -3.840 28.155 2.707 1.00 72.32 C ATOM 1588 C ASP A 104 -3.266 27.367 1.534 1.00 73.45 C ATOM 1589 O ASP A 104 -2.665 27.938 0.623 1.00 72.13 O ATOM 1590 CB ASP A 104 -2.725 28.513 3.691 1.00 73.22 C ATOM 1591 CG ASP A 104 -2.284 29.958 3.565 1.00 34.13 C ATOM 1592 OD1 ASP A 104 -3.093 30.786 3.098 1.00 55.02 O ATOM 1593 OD2 ASP A 104 -1.130 30.261 3.934 1.00 60.52 O ATOM 0 H ASP A 104 -4.544 26.619 3.947 1.00 31.52 H new ATOM 0 HA ASP A 104 -4.283 29.074 2.322 1.00 72.32 H new ATOM 0 HB2 ASP A 104 -3.069 28.329 4.709 1.00 73.22 H new ATOM 0 HB3 ASP A 104 -1.870 27.859 3.520 1.00 73.22 H new ATOM 1598 N LEU A 105 -3.454 26.052 1.562 1.00 35.11 N ATOM 1599 CA LEU A 105 -2.955 25.184 0.501 1.00 3.23 C ATOM 1600 C LEU A 105 -3.867 25.237 -0.720 1.00 64.03 C ATOM 1601 O LEU A 105 -3.543 25.877 -1.720 1.00 51.32 O ATOM 1602 CB LEU A 105 -2.840 23.744 1.005 1.00 53.24 C ATOM 1603 CG LEU A 105 -2.544 22.684 -0.056 1.00 74.25 C ATOM 1604 CD1 LEU A 105 -1.119 22.824 -0.568 1.00 53.15 C ATOM 1605 CD2 LEU A 105 -2.776 21.288 0.505 1.00 55.52 C ATOM 0 H LEU A 105 -3.949 25.563 2.308 1.00 35.11 H new ATOM 0 HA LEU A 105 -1.967 25.540 0.209 1.00 3.23 H new ATOM 0 HB2 LEU A 105 -2.053 23.705 1.758 1.00 53.24 H new ATOM 0 HB3 LEU A 105 -3.772 23.479 1.504 1.00 53.24 H new ATOM 0 HG LEU A 105 -3.226 22.836 -0.893 1.00 74.25 H new ATOM 0 HD11 LEU A 105 -0.927 22.061 -1.322 1.00 53.15 H new ATOM 0 HD12 LEU A 105 -0.986 23.812 -1.009 1.00 53.15 H new ATOM 0 HD13 LEU A 105 -0.421 22.700 0.260 1.00 53.15 H new ATOM 0 HD21 LEU A 105 -2.560 20.546 -0.264 1.00 55.52 H new ATOM 0 HD22 LEU A 105 -2.119 21.126 1.360 1.00 55.52 H new ATOM 0 HD23 LEU A 105 -3.815 21.191 0.822 1.00 55.52 H new ATOM 1617 N GLN A 106 -5.008 24.561 -0.630 1.00 44.32 N ATOM 1618 CA GLN A 106 -5.967 24.533 -1.728 1.00 42.01 C ATOM 1619 C GLN A 106 -6.223 25.938 -2.264 1.00 25.11 C ATOM 1620 O GLN A 106 -6.690 26.108 -3.389 1.00 63.21 O ATOM 1621 CB GLN A 106 -7.282 23.903 -1.268 1.00 33.42 C ATOM 1622 CG GLN A 106 -7.978 24.684 -0.165 1.00 20.53 C ATOM 1623 CD GLN A 106 -7.040 25.058 0.966 1.00 32.52 C ATOM 1624 OE1 GLN A 106 -6.886 26.234 1.297 1.00 62.41 O ATOM 1625 NE2 GLN A 106 -6.408 24.056 1.567 1.00 43.33 N ATOM 0 H GLN A 106 -5.291 24.026 0.191 1.00 44.32 H new ATOM 0 HA GLN A 106 -5.544 23.929 -2.531 1.00 42.01 H new ATOM 0 HB2 GLN A 106 -7.954 23.820 -2.122 1.00 33.42 H new ATOM 0 HB3 GLN A 106 -7.086 22.890 -0.917 1.00 33.42 H new ATOM 0 HG2 GLN A 106 -8.413 25.590 -0.586 1.00 20.53 H new ATOM 0 HG3 GLN A 106 -8.801 24.090 0.232 1.00 20.53 H new ATOM 0 HE21 GLN A 106 -6.566 23.096 1.260 1.00 43.33 H new ATOM 0 HE22 GLN A 106 -5.765 24.246 2.336 1.00 43.33 H new ATOM 1634 N ASN A 107 -5.913 26.942 -1.450 1.00 33.24 N ATOM 1635 CA ASN A 107 -6.111 28.333 -1.842 1.00 23.43 C ATOM 1636 C ASN A 107 -4.977 28.809 -2.745 1.00 13.20 C ATOM 1637 O ASN A 107 -5.187 29.618 -3.650 1.00 31.21 O ATOM 1638 CB ASN A 107 -6.200 29.226 -0.603 1.00 34.33 C ATOM 1639 CG ASN A 107 -5.772 30.653 -0.886 1.00 70.43 C ATOM 1640 OD1 ASN A 107 -6.548 31.453 -1.409 1.00 65.14 O ATOM 1641 ND2 ASN A 107 -4.531 30.977 -0.541 1.00 54.25 N ATOM 0 H ASN A 107 -5.524 26.818 -0.515 1.00 33.24 H new ATOM 0 HA ASN A 107 -7.047 28.399 -2.397 1.00 23.43 H new ATOM 0 HB2 ASN A 107 -7.224 29.224 -0.230 1.00 34.33 H new ATOM 0 HB3 ASN A 107 -5.573 28.811 0.186 1.00 34.33 H new ATOM 0 HD21 ASN A 107 -4.186 31.922 -0.707 1.00 54.25 H new ATOM 0 HD22 ASN A 107 -3.923 30.280 -0.110 1.00 54.25 H new ATOM 1648 N THR A 108 -3.774 28.302 -2.494 1.00 13.13 N ATOM 1649 CA THR A 108 -2.607 28.676 -3.283 1.00 33.42 C ATOM 1650 C THR A 108 -2.558 27.898 -4.593 1.00 24.11 C ATOM 1651 O THR A 108 -2.223 28.450 -5.641 1.00 43.51 O ATOM 1652 CB THR A 108 -1.301 28.431 -2.504 1.00 40.30 C ATOM 1653 OG1 THR A 108 -1.147 29.422 -1.482 1.00 51.51 O ATOM 1654 CG2 THR A 108 -0.100 28.467 -3.437 1.00 50.01 C ATOM 0 H THR A 108 -3.583 27.631 -1.750 1.00 13.13 H new ATOM 0 HA THR A 108 -2.698 29.741 -3.499 1.00 33.42 H new ATOM 0 HB THR A 108 -1.356 27.443 -2.046 1.00 40.30 H new ATOM 0 HG1 THR A 108 -1.595 29.121 -0.664 1.00 51.51 H new ATOM 0 HG21 THR A 108 0.811 28.292 -2.865 1.00 50.01 H new ATOM 0 HG22 THR A 108 -0.206 27.693 -4.197 1.00 50.01 H new ATOM 0 HG23 THR A 108 -0.043 29.443 -3.919 1.00 50.01 H new ATOM 1662 N ILE A 109 -2.893 26.614 -4.526 1.00 53.04 N ATOM 1663 CA ILE A 109 -2.888 25.761 -5.709 1.00 14.53 C ATOM 1664 C ILE A 109 -3.900 26.247 -6.741 1.00 50.41 C ATOM 1665 O ILE A 109 -3.746 26.007 -7.939 1.00 24.05 O ATOM 1666 CB ILE A 109 -3.202 24.297 -5.348 1.00 55.43 C ATOM 1667 CG1 ILE A 109 -1.982 23.635 -4.706 1.00 34.45 C ATOM 1668 CG2 ILE A 109 -3.638 23.529 -6.587 1.00 35.01 C ATOM 1669 CD1 ILE A 109 -1.826 23.953 -3.235 1.00 51.42 C ATOM 0 H ILE A 109 -3.171 26.141 -3.666 1.00 53.04 H new ATOM 0 HA ILE A 109 -1.885 25.815 -6.133 1.00 14.53 H new ATOM 0 HB ILE A 109 -4.020 24.282 -4.628 1.00 55.43 H new ATOM 0 HG12 ILE A 109 -2.058 22.555 -4.830 1.00 34.45 H new ATOM 0 HG13 ILE A 109 -1.085 23.954 -5.236 1.00 34.45 H new ATOM 0 HG21 ILE A 109 -3.857 22.496 -6.317 1.00 35.01 H new ATOM 0 HG22 ILE A 109 -4.532 23.991 -7.006 1.00 35.01 H new ATOM 0 HG23 ILE A 109 -2.838 23.549 -7.327 1.00 35.01 H new ATOM 0 HD11 ILE A 109 -0.941 23.450 -2.846 1.00 51.42 H new ATOM 0 HD12 ILE A 109 -1.718 25.030 -3.105 1.00 51.42 H new ATOM 0 HD13 ILE A 109 -2.707 23.608 -2.693 1.00 51.42 H new ATOM 1681 N VAL A 110 -4.936 26.934 -6.269 1.00 45.51 N ATOM 1682 CA VAL A 110 -5.972 27.458 -7.151 1.00 61.42 C ATOM 1683 C VAL A 110 -5.510 28.734 -7.845 1.00 61.03 C ATOM 1684 O VAL A 110 -5.922 29.028 -8.968 1.00 20.14 O ATOM 1685 CB VAL A 110 -7.272 27.748 -6.379 1.00 13.23 C ATOM 1686 CG1 VAL A 110 -7.826 26.471 -5.765 1.00 42.20 C ATOM 1687 CG2 VAL A 110 -7.032 28.803 -5.309 1.00 63.20 C ATOM 0 H VAL A 110 -5.080 27.140 -5.281 1.00 45.51 H new ATOM 0 HA VAL A 110 -6.167 26.691 -7.901 1.00 61.42 H new ATOM 0 HB VAL A 110 -8.011 28.135 -7.080 1.00 13.23 H new ATOM 0 HG11 VAL A 110 -8.745 26.696 -5.224 1.00 42.20 H new ATOM 0 HG12 VAL A 110 -8.038 25.750 -6.554 1.00 42.20 H new ATOM 0 HG13 VAL A 110 -7.093 26.051 -5.077 1.00 42.20 H new ATOM 0 HG21 VAL A 110 -7.961 28.996 -4.773 1.00 63.20 H new ATOM 0 HG22 VAL A 110 -6.277 28.446 -4.609 1.00 63.20 H new ATOM 0 HG23 VAL A 110 -6.686 29.724 -5.778 1.00 63.20 H new ATOM 1697 N LYS A 111 -4.651 29.490 -7.170 1.00 43.13 N ATOM 1698 CA LYS A 111 -4.130 30.735 -7.722 1.00 4.35 C ATOM 1699 C LYS A 111 -3.005 30.462 -8.715 1.00 40.01 C ATOM 1700 O LYS A 111 -2.782 31.238 -9.645 1.00 1.44 O ATOM 1701 CB LYS A 111 -3.622 31.642 -6.598 1.00 35.34 C ATOM 1702 CG LYS A 111 -2.123 31.553 -6.375 1.00 3.23 C ATOM 1703 CD LYS A 111 -1.747 31.937 -4.953 1.00 65.34 C ATOM 1704 CE LYS A 111 -1.361 33.405 -4.856 1.00 31.13 C ATOM 1705 NZ LYS A 111 -0.190 33.612 -3.960 1.00 43.41 N ATOM 0 H LYS A 111 -4.301 29.262 -6.239 1.00 43.13 H new ATOM 0 HA LYS A 111 -4.942 31.237 -8.248 1.00 4.35 H new ATOM 0 HB2 LYS A 111 -3.886 32.674 -6.828 1.00 35.34 H new ATOM 0 HB3 LYS A 111 -4.135 31.381 -5.672 1.00 35.34 H new ATOM 0 HG2 LYS A 111 -1.783 30.538 -6.581 1.00 3.23 H new ATOM 0 HG3 LYS A 111 -1.610 32.209 -7.078 1.00 3.23 H new ATOM 0 HD2 LYS A 111 -2.586 31.735 -4.287 1.00 65.34 H new ATOM 0 HD3 LYS A 111 -0.916 31.318 -4.615 1.00 65.34 H new ATOM 0 HE2 LYS A 111 -1.129 33.786 -5.851 1.00 31.13 H new ATOM 0 HE3 LYS A 111 -2.209 33.980 -4.484 1.00 31.13 H new ATOM 0 HZ1 LYS A 111 0.042 34.625 -3.920 1.00 43.41 H new ATOM 0 HZ2 LYS A 111 -0.420 33.272 -3.004 1.00 43.41 H new ATOM 0 HZ3 LYS A 111 0.627 33.084 -4.329 1.00 43.41 H new ATOM 1719 N HIS A 112 -2.300 29.353 -8.514 1.00 1.23 N ATOM 1720 CA HIS A 112 -1.199 28.977 -9.394 1.00 34.32 C ATOM 1721 C HIS A 112 -1.638 27.900 -10.382 1.00 23.34 C ATOM 1722 O HIS A 112 -1.378 28.000 -11.581 1.00 31.02 O ATOM 1723 CB HIS A 112 -0.010 28.478 -8.573 1.00 4.41 C ATOM 1724 CG HIS A 112 0.416 29.430 -7.497 1.00 64.43 C ATOM 1725 ND1 HIS A 112 0.842 29.203 -6.233 1.00 1.11 N flip ATOM 1726 CD2 HIS A 112 0.432 30.798 -7.666 1.00 24.13 C flip ATOM 1727 CE1 HIS A 112 1.106 30.426 -5.666 1.00 71.11 C flip ATOM 1728 NE2 HIS A 112 0.851 31.372 -6.552 1.00 62.25 N flip ATOM 0 H HIS A 112 -2.471 28.699 -7.750 1.00 1.23 H new ATOM 0 HA HIS A 112 -0.897 29.861 -9.956 1.00 34.32 H new ATOM 0 HB2 HIS A 112 -0.268 27.521 -8.119 1.00 4.41 H new ATOM 0 HB3 HIS A 112 0.832 28.297 -9.241 1.00 4.41 H new ATOM 0 HD1 HIS A 112 0.947 28.293 -5.785 1.00 1.11 H new ATOM 0 HD2 HIS A 112 0.147 31.319 -8.568 1.00 24.13 H new ATOM 0 HE1 HIS A 112 1.464 30.588 -4.660 1.00 71.11 H new ATOM 1736 N VAL A 113 -2.303 26.869 -9.870 1.00 13.35 N ATOM 1737 CA VAL A 113 -2.778 25.774 -10.706 1.00 60.24 C ATOM 1738 C VAL A 113 -4.225 25.995 -11.132 1.00 70.34 C ATOM 1739 O VAL A 113 -4.644 25.549 -12.200 1.00 2.31 O ATOM 1740 CB VAL A 113 -2.670 24.422 -9.976 1.00 11.00 C ATOM 1741 CG1 VAL A 113 -2.721 23.272 -10.970 1.00 50.02 C ATOM 1742 CG2 VAL A 113 -1.396 24.365 -9.147 1.00 42.01 C ATOM 0 H VAL A 113 -2.525 26.770 -8.879 1.00 13.35 H new ATOM 0 HA VAL A 113 -2.141 25.753 -11.590 1.00 60.24 H new ATOM 0 HB VAL A 113 -3.520 24.324 -9.301 1.00 11.00 H new ATOM 0 HG11 VAL A 113 -2.643 22.325 -10.435 1.00 50.02 H new ATOM 0 HG12 VAL A 113 -3.664 23.304 -11.516 1.00 50.02 H new ATOM 0 HG13 VAL A 113 -1.892 23.361 -11.672 1.00 50.02 H new ATOM 0 HG21 VAL A 113 -1.336 23.403 -8.638 1.00 42.01 H new ATOM 0 HG22 VAL A 113 -0.531 24.485 -9.800 1.00 42.01 H new ATOM 0 HG23 VAL A 113 -1.407 25.166 -8.408 1.00 42.01 H new ATOM 1752 N GLY A 114 -4.985 26.687 -10.289 1.00 74.03 N ATOM 1753 CA GLY A 114 -6.378 26.956 -10.596 1.00 71.22 C ATOM 1754 C GLY A 114 -6.546 28.112 -11.562 1.00 72.22 C ATOM 1755 O GLY A 114 -7.637 28.339 -12.085 1.00 62.43 O ATOM 0 H GLY A 114 -4.661 27.066 -9.399 1.00 74.03 H new ATOM 0 HA2 GLY A 114 -6.832 26.061 -11.022 1.00 71.22 H new ATOM 0 HA3 GLY A 114 -6.914 27.177 -9.673 1.00 71.22 H new ATOM 1759 N ALA A 115 -5.464 28.846 -11.798 1.00 62.12 N ATOM 1760 CA ALA A 115 -5.496 29.984 -12.708 1.00 14.43 C ATOM 1761 C ALA A 115 -6.792 30.774 -12.553 1.00 3.02 C ATOM 1762 O ALA A 115 -7.379 31.224 -13.537 1.00 71.24 O ATOM 1763 CB ALA A 115 -5.330 29.516 -14.146 1.00 34.02 C ATOM 0 H ALA A 115 -4.554 28.673 -11.371 1.00 62.12 H new ATOM 0 HA ALA A 115 -4.666 30.643 -12.455 1.00 14.43 H new ATOM 0 HB1 ALA A 115 -5.356 30.377 -14.814 1.00 34.02 H new ATOM 0 HB2 ALA A 115 -4.375 29.002 -14.253 1.00 34.02 H new ATOM 0 HB3 ALA A 115 -6.140 28.833 -14.402 1.00 34.02 H new