USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=15 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 106 GLN : amide:sc= -13.1! C(o=-13!,f=-15!) USER MOD Set 1.2: A 107 ASN : amide:sc= 0.366 K(o=-13,f=-14) USER MOD Set 2.1: A 53 TYR OH : rot -130:sc= 0.897 USER MOD Set 2.2: A 102 LYS NZ :NH3+ -122:sc= 1.15 (180deg=0) USER MOD Set 3.1: A 82 MET CE :methyl -177:sc= -3.05! (180deg=-0.562) USER MOD Set 3.2: A 84 THR OG1 : rot -130:sc= -2.38! USER MOD Single : A 11 CYS SG : rot 82:sc= -3.29 USER MOD Single : A 12 HIS : no HD1:sc= -1.38 X(o=-1.4,f=-1.1) USER MOD Single : A 13 ASN : amide:sc= -7.23! C(o=-7.2!,f=-14!) USER MOD Single : A 14 LYS NZ :NH3+ 175:sc= 0.997 (180deg=0.949) USER MOD Single : A 20 GLN : amide:sc= -0.979 X(o=-0.98,f=-0.89) USER MOD Single : A 21 MET CE :methyl -150:sc= -4.69! (180deg=-10.1!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -179:sc= -0.279 (180deg=-0.282) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.0492) USER MOD Single : A 77 TYR OH : rot 169:sc= -0.125 USER MOD Single : A 78 ASN :FLIP amide:sc= -0.183 F(o=-0.8,f=-0.18) 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 108 THR OG1 : rot 86:sc= -0.861 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 HIS :FLIP no HE2:sc= -9.13! F(o=-11,f=-9.1!) USER MOD ----------------------------------------------------------------- ATOM 53 N GLU A 5 2.535 7.513 -6.404 1.00 42.44 N ATOM 54 CA GLU A 5 1.536 7.493 -7.466 1.00 51.31 C ATOM 55 C GLU A 5 1.270 8.902 -7.990 1.00 23.20 C ATOM 56 O GLU A 5 2.166 9.745 -8.018 1.00 30.35 O ATOM 57 CB GLU A 5 0.233 6.872 -6.959 1.00 11.03 C ATOM 58 CG GLU A 5 0.444 5.742 -5.965 1.00 72.12 C ATOM 59 CD GLU A 5 0.810 4.434 -6.639 1.00 31.31 C ATOM 60 OE1 GLU A 5 1.863 4.385 -7.308 1.00 73.35 O ATOM 61 OE2 GLU A 5 0.043 3.458 -6.496 1.00 11.52 O ATOM 0 HA GLU A 5 1.925 6.887 -8.284 1.00 51.31 H new ATOM 0 HB2 GLU A 5 -0.372 7.649 -6.491 1.00 11.03 H new ATOM 0 HB3 GLU A 5 -0.335 6.495 -7.809 1.00 11.03 H new ATOM 0 HG2 GLU A 5 1.233 6.020 -5.267 1.00 72.12 H new ATOM 0 HG3 GLU A 5 -0.465 5.603 -5.380 1.00 72.12 H new ATOM 68 N GLY A 6 0.032 9.149 -8.406 1.00 33.42 N ATOM 69 CA GLY A 6 -0.330 10.455 -8.924 1.00 73.10 C ATOM 70 C GLY A 6 -0.581 11.466 -7.823 1.00 51.32 C ATOM 71 O GLY A 6 -1.232 12.487 -8.045 1.00 11.44 O ATOM 0 H GLY A 6 -0.727 8.468 -8.394 1.00 33.42 H new ATOM 0 HA2 GLY A 6 0.467 10.819 -9.572 1.00 73.10 H new ATOM 0 HA3 GLY A 6 -1.225 10.363 -9.540 1.00 73.10 H new ATOM 75 N VAL A 7 -0.065 11.182 -6.632 1.00 4.13 N ATOM 76 CA VAL A 7 -0.236 12.074 -5.492 1.00 13.55 C ATOM 77 C VAL A 7 1.035 12.872 -5.222 1.00 15.23 C ATOM 78 O VAL A 7 2.052 12.684 -5.889 1.00 0.13 O ATOM 79 CB VAL A 7 -0.619 11.293 -4.220 1.00 43.52 C ATOM 80 CG1 VAL A 7 -1.516 10.115 -4.567 1.00 1.11 C ATOM 81 CG2 VAL A 7 0.629 10.826 -3.487 1.00 5.22 C ATOM 0 H VAL A 7 0.475 10.340 -6.431 1.00 4.13 H new ATOM 0 HA VAL A 7 -1.045 12.760 -5.746 1.00 13.55 H new ATOM 0 HB VAL A 7 -1.174 11.958 -3.558 1.00 43.52 H new ATOM 0 HG11 VAL A 7 -1.776 9.575 -3.656 1.00 1.11 H new ATOM 0 HG12 VAL A 7 -2.425 10.479 -5.046 1.00 1.11 H new ATOM 0 HG13 VAL A 7 -0.990 9.446 -5.248 1.00 1.11 H new ATOM 0 HG21 VAL A 7 0.340 10.276 -2.591 1.00 5.22 H new ATOM 0 HG22 VAL A 7 1.212 10.176 -4.139 1.00 5.22 H new ATOM 0 HG23 VAL A 7 1.230 11.690 -3.204 1.00 5.22 H new ATOM 91 N VAL A 8 0.969 13.764 -4.238 1.00 41.33 N ATOM 92 CA VAL A 8 2.115 14.591 -3.878 1.00 62.52 C ATOM 93 C VAL A 8 3.349 13.734 -3.614 1.00 53.32 C ATOM 94 O VAL A 8 3.540 13.229 -2.508 1.00 24.21 O ATOM 95 CB VAL A 8 1.821 15.446 -2.631 1.00 70.35 C ATOM 96 CG1 VAL A 8 0.620 16.347 -2.873 1.00 52.13 C ATOM 97 CG2 VAL A 8 1.595 14.557 -1.418 1.00 2.14 C ATOM 0 H VAL A 8 0.134 13.932 -3.676 1.00 41.33 H new ATOM 0 HA VAL A 8 2.308 15.251 -4.724 1.00 62.52 H new ATOM 0 HB VAL A 8 2.686 16.079 -2.433 1.00 70.35 H new ATOM 0 HG11 VAL A 8 0.427 16.944 -1.981 1.00 52.13 H new ATOM 0 HG12 VAL A 8 0.825 17.008 -3.715 1.00 52.13 H new ATOM 0 HG13 VAL A 8 -0.254 15.736 -3.097 1.00 52.13 H new ATOM 0 HG21 VAL A 8 1.389 15.177 -0.546 1.00 2.14 H new ATOM 0 HG22 VAL A 8 0.747 13.897 -1.603 1.00 2.14 H new ATOM 0 HG23 VAL A 8 2.487 13.958 -1.234 1.00 2.14 H new ATOM 107 N ILE A 9 4.182 13.576 -4.637 1.00 2.22 N ATOM 108 CA ILE A 9 5.398 12.782 -4.515 1.00 5.35 C ATOM 109 C ILE A 9 6.130 13.094 -3.213 1.00 40.24 C ATOM 110 O ILE A 9 5.806 14.060 -2.524 1.00 1.44 O ATOM 111 CB ILE A 9 6.353 13.028 -5.698 1.00 55.13 C ATOM 112 CG1 ILE A 9 5.593 12.927 -7.023 1.00 24.01 C ATOM 113 CG2 ILE A 9 7.505 12.035 -5.665 1.00 11.32 C ATOM 114 CD1 ILE A 9 4.801 11.647 -7.169 1.00 33.02 C ATOM 0 H ILE A 9 4.037 13.987 -5.559 1.00 2.22 H new ATOM 0 HA ILE A 9 5.092 11.736 -4.517 1.00 5.35 H new ATOM 0 HB ILE A 9 6.764 14.034 -5.611 1.00 55.13 H new ATOM 0 HG12 ILE A 9 4.915 13.776 -7.109 1.00 24.01 H new ATOM 0 HG13 ILE A 9 6.303 13.001 -7.847 1.00 24.01 H new ATOM 0 HG21 ILE A 9 8.171 12.222 -6.507 1.00 11.32 H new ATOM 0 HG22 ILE A 9 8.058 12.150 -4.733 1.00 11.32 H new ATOM 0 HG23 ILE A 9 7.113 11.020 -5.731 1.00 11.32 H new ATOM 0 HD11 ILE A 9 4.288 11.644 -8.131 1.00 33.02 H new ATOM 0 HD12 ILE A 9 5.476 10.793 -7.115 1.00 33.02 H new ATOM 0 HD13 ILE A 9 4.067 11.580 -6.366 1.00 33.02 H new ATOM 126 N ALA A 10 7.120 12.270 -2.885 1.00 74.02 N ATOM 127 CA ALA A 10 7.900 12.460 -1.669 1.00 22.21 C ATOM 128 C ALA A 10 9.363 12.092 -1.893 1.00 21.05 C ATOM 129 O ALA A 10 9.796 10.992 -1.547 1.00 62.01 O ATOM 130 CB ALA A 10 7.315 11.636 -0.532 1.00 34.41 C ATOM 0 H ALA A 10 7.400 11.465 -3.445 1.00 74.02 H new ATOM 0 HA ALA A 10 7.854 13.515 -1.399 1.00 22.21 H new ATOM 0 HB1 ALA A 10 7.908 11.788 0.370 1.00 34.41 H new ATOM 0 HB2 ALA A 10 6.287 11.949 -0.347 1.00 34.41 H new ATOM 0 HB3 ALA A 10 7.330 10.580 -0.803 1.00 34.41 H new ATOM 136 N CYS A 11 10.119 13.018 -2.472 1.00 71.33 N ATOM 137 CA CYS A 11 11.534 12.790 -2.743 1.00 71.34 C ATOM 138 C CYS A 11 12.255 12.297 -1.493 1.00 14.12 C ATOM 139 O CYS A 11 11.643 12.126 -0.438 1.00 21.13 O ATOM 140 CB CYS A 11 12.190 14.074 -3.253 1.00 23.24 C ATOM 141 SG CYS A 11 13.060 15.014 -1.977 1.00 11.44 S ATOM 0 H CYS A 11 9.776 13.934 -2.763 1.00 71.33 H new ATOM 0 HA CYS A 11 11.612 12.021 -3.511 1.00 71.34 H new ATOM 0 HB2 CYS A 11 12.894 13.820 -4.046 1.00 23.24 H new ATOM 0 HB3 CYS A 11 11.424 14.709 -3.698 1.00 23.24 H new ATOM 0 HG CYS A 11 14.242 14.506 -1.794 1.00 11.44 H new ATOM 147 N HIS A 12 13.558 12.069 -1.618 1.00 62.15 N ATOM 148 CA HIS A 12 14.363 11.594 -0.498 1.00 53.42 C ATOM 149 C HIS A 12 15.815 11.392 -0.920 1.00 20.14 C ATOM 150 O HIS A 12 16.521 10.552 -0.363 1.00 44.42 O ATOM 151 CB HIS A 12 13.791 10.286 0.049 1.00 3.24 C ATOM 152 CG HIS A 12 13.018 10.456 1.321 1.00 52.24 C ATOM 153 ND1 HIS A 12 12.027 9.585 1.721 1.00 23.52 N ATOM 154 CD2 HIS A 12 13.095 11.404 2.284 1.00 70.10 C ATOM 155 CE1 HIS A 12 11.527 9.990 2.875 1.00 65.40 C ATOM 156 NE2 HIS A 12 12.159 11.092 3.239 1.00 74.55 N ATOM 0 H HIS A 12 14.080 12.205 -2.484 1.00 62.15 H new ATOM 0 HA HIS A 12 14.333 12.351 0.286 1.00 53.42 H new ATOM 0 HB2 HIS A 12 13.142 9.840 -0.704 1.00 3.24 H new ATOM 0 HB3 HIS A 12 14.608 9.585 0.221 1.00 3.24 H new ATOM 0 HD2 HIS A 12 13.768 12.249 2.299 1.00 70.10 H new ATOM 0 HE1 HIS A 12 10.736 9.503 3.427 1.00 65.40 H new ATOM 0 HE2 HIS A 12 11.981 11.624 4.091 1.00 74.55 H new ATOM 164 N ASN A 13 16.253 12.167 -1.907 1.00 23.43 N ATOM 165 CA ASN A 13 17.621 12.071 -2.404 1.00 1.04 C ATOM 166 C ASN A 13 17.823 12.971 -3.619 1.00 15.22 C ATOM 167 O ASN A 13 18.667 12.701 -4.473 1.00 20.31 O ATOM 168 CB ASN A 13 17.954 10.623 -2.767 1.00 73.52 C ATOM 169 CG ASN A 13 16.796 9.917 -3.447 1.00 64.23 C ATOM 170 OD1 ASN A 13 15.743 9.707 -2.846 1.00 21.33 O ATOM 171 ND2 ASN A 13 16.988 9.547 -4.708 1.00 71.02 N ATOM 0 H ASN A 13 15.681 12.868 -2.378 1.00 23.43 H new ATOM 0 HA ASN A 13 18.292 12.403 -1.612 1.00 1.04 H new ATOM 0 HB2 ASN A 13 18.823 10.607 -3.425 1.00 73.52 H new ATOM 0 HB3 ASN A 13 18.228 10.078 -1.863 1.00 73.52 H new ATOM 0 HD21 ASN A 13 16.246 9.068 -5.218 1.00 71.02 H new ATOM 0 HD22 ASN A 13 17.878 9.742 -5.167 1.00 71.02 H new ATOM 178 N LYS A 14 17.041 14.044 -3.690 1.00 24.33 N ATOM 179 CA LYS A 14 17.134 14.986 -4.798 1.00 52.33 C ATOM 180 C LYS A 14 16.755 14.316 -6.115 1.00 52.22 C ATOM 181 O LYS A 14 15.706 14.607 -6.691 1.00 45.24 O ATOM 182 CB LYS A 14 18.551 15.556 -4.893 1.00 52.42 C ATOM 183 CG LYS A 14 18.919 16.042 -6.285 1.00 23.55 C ATOM 184 CD LYS A 14 19.798 17.280 -6.229 1.00 22.23 C ATOM 185 CE LYS A 14 19.028 18.488 -5.718 1.00 74.31 C ATOM 186 NZ LYS A 14 19.673 19.768 -6.120 1.00 60.04 N ATOM 0 H LYS A 14 16.336 14.282 -2.993 1.00 24.33 H new ATOM 0 HA LYS A 14 16.434 15.800 -4.610 1.00 52.33 H new ATOM 0 HB2 LYS A 14 18.649 16.384 -4.191 1.00 52.42 H new ATOM 0 HB3 LYS A 14 19.263 14.791 -4.584 1.00 52.42 H new ATOM 0 HG2 LYS A 14 19.439 15.249 -6.822 1.00 23.55 H new ATOM 0 HG3 LYS A 14 18.011 16.264 -6.846 1.00 23.55 H new ATOM 0 HD2 LYS A 14 20.653 17.091 -5.580 1.00 22.23 H new ATOM 0 HD3 LYS A 14 20.193 17.492 -7.223 1.00 22.23 H new ATOM 0 HE2 LYS A 14 18.009 18.458 -6.103 1.00 74.31 H new ATOM 0 HE3 LYS A 14 18.959 18.442 -4.631 1.00 74.31 H new ATOM 0 HZ1 LYS A 14 19.074 20.566 -5.826 1.00 60.04 H new ATOM 0 HZ2 LYS A 14 20.604 19.846 -5.662 1.00 60.04 H new ATOM 0 HZ3 LYS A 14 19.792 19.787 -7.153 1.00 60.04 H new ATOM 200 N ASP A 15 17.613 13.418 -6.585 1.00 21.32 N ATOM 201 CA ASP A 15 17.367 12.704 -7.833 1.00 12.24 C ATOM 202 C ASP A 15 15.870 12.537 -8.077 1.00 22.24 C ATOM 203 O ASP A 15 15.395 12.685 -9.202 1.00 64.51 O ATOM 204 CB ASP A 15 18.048 11.335 -7.805 1.00 51.01 C ATOM 205 CG ASP A 15 18.806 11.040 -9.084 1.00 60.33 C ATOM 206 OD1 ASP A 15 19.884 11.637 -9.287 1.00 25.44 O ATOM 207 OD2 ASP A 15 18.321 10.211 -9.883 1.00 5.22 O ATOM 0 H ASP A 15 18.486 13.167 -6.121 1.00 21.32 H new ATOM 0 HA ASP A 15 17.786 13.293 -8.649 1.00 12.24 H new ATOM 0 HB2 ASP A 15 18.735 11.292 -6.960 1.00 51.01 H new ATOM 0 HB3 ASP A 15 17.297 10.562 -7.645 1.00 51.01 H new ATOM 212 N GLU A 16 15.134 12.227 -7.014 1.00 74.23 N ATOM 213 CA GLU A 16 13.691 12.038 -7.115 1.00 22.43 C ATOM 214 C GLU A 16 12.967 13.380 -7.147 1.00 2.50 C ATOM 215 O GLU A 16 12.029 13.574 -7.920 1.00 51.13 O ATOM 216 CB GLU A 16 13.182 11.199 -5.941 1.00 15.14 C ATOM 217 CG GLU A 16 14.215 10.231 -5.390 1.00 3.32 C ATOM 218 CD GLU A 16 13.599 8.936 -4.899 1.00 34.02 C ATOM 219 OE1 GLU A 16 12.633 9.001 -4.109 1.00 51.25 O ATOM 220 OE2 GLU A 16 14.081 7.858 -5.303 1.00 61.32 O ATOM 0 H GLU A 16 15.512 12.102 -6.075 1.00 74.23 H new ATOM 0 HA GLU A 16 13.483 11.511 -8.046 1.00 22.43 H new ATOM 0 HB2 GLU A 16 12.859 11.866 -5.142 1.00 15.14 H new ATOM 0 HB3 GLU A 16 12.304 10.637 -6.261 1.00 15.14 H new ATOM 0 HG2 GLU A 16 14.949 10.009 -6.165 1.00 3.32 H new ATOM 0 HG3 GLU A 16 14.752 10.707 -4.570 1.00 3.32 H new ATOM 227 N PHE A 17 13.410 14.305 -6.301 1.00 75.10 N ATOM 228 CA PHE A 17 12.804 15.629 -6.231 1.00 14.53 C ATOM 229 C PHE A 17 12.801 16.300 -7.601 1.00 72.25 C ATOM 230 O PHE A 17 11.837 16.969 -7.975 1.00 44.11 O ATOM 231 CB PHE A 17 13.554 16.504 -5.224 1.00 42.23 C ATOM 232 CG PHE A 17 14.115 17.762 -5.824 1.00 60.32 C ATOM 233 CD1 PHE A 17 15.294 17.732 -6.551 1.00 3.30 C ATOM 234 CD2 PHE A 17 13.463 18.973 -5.661 1.00 2.51 C ATOM 235 CE1 PHE A 17 15.813 18.888 -7.105 1.00 30.33 C ATOM 236 CE2 PHE A 17 13.977 20.132 -6.213 1.00 32.14 C ATOM 237 CZ PHE A 17 15.154 20.089 -6.934 1.00 53.23 C ATOM 0 H PHE A 17 14.186 14.162 -5.655 1.00 75.10 H new ATOM 0 HA PHE A 17 11.772 15.511 -5.902 1.00 14.53 H new ATOM 0 HB2 PHE A 17 12.878 16.769 -4.411 1.00 42.23 H new ATOM 0 HB3 PHE A 17 14.368 15.925 -4.787 1.00 42.23 H new ATOM 0 HD1 PHE A 17 15.814 16.795 -6.687 1.00 3.30 H new ATOM 0 HD2 PHE A 17 12.543 19.013 -5.097 1.00 2.51 H new ATOM 0 HE1 PHE A 17 16.732 18.851 -7.671 1.00 30.33 H new ATOM 0 HE2 PHE A 17 13.458 21.070 -6.080 1.00 32.14 H new ATOM 0 HZ PHE A 17 15.558 20.994 -7.364 1.00 53.23 H new ATOM 247 N ASP A 18 13.886 16.115 -8.346 1.00 14.24 N ATOM 248 CA ASP A 18 14.009 16.701 -9.675 1.00 64.04 C ATOM 249 C ASP A 18 13.043 16.039 -10.653 1.00 0.22 C ATOM 250 O ASP A 18 12.543 16.680 -11.577 1.00 2.34 O ATOM 251 CB ASP A 18 15.445 16.563 -10.185 1.00 73.54 C ATOM 252 CG ASP A 18 16.202 17.875 -10.145 1.00 44.05 C ATOM 253 OD1 ASP A 18 15.573 18.930 -10.370 1.00 63.14 O ATOM 254 OD2 ASP A 18 17.425 17.847 -9.890 1.00 52.42 O ATOM 0 H ASP A 18 14.692 15.564 -8.052 1.00 14.24 H new ATOM 0 HA ASP A 18 13.757 17.759 -9.604 1.00 64.04 H new ATOM 0 HB2 ASP A 18 15.972 15.824 -9.582 1.00 73.54 H new ATOM 0 HB3 ASP A 18 15.430 16.187 -11.208 1.00 73.54 H new ATOM 259 N ALA A 19 12.786 14.752 -10.443 1.00 14.44 N ATOM 260 CA ALA A 19 11.879 14.004 -11.304 1.00 52.13 C ATOM 261 C ALA A 19 10.547 14.731 -11.463 1.00 24.54 C ATOM 262 O ALA A 19 9.773 14.433 -12.372 1.00 11.44 O ATOM 263 CB ALA A 19 11.656 12.605 -10.748 1.00 43.42 C ATOM 0 H ALA A 19 13.193 14.206 -9.684 1.00 14.44 H new ATOM 0 HA ALA A 19 12.338 13.922 -12.289 1.00 52.13 H new ATOM 0 HB1 ALA A 19 10.976 12.058 -11.401 1.00 43.42 H new ATOM 0 HB2 ALA A 19 12.609 12.079 -10.693 1.00 43.42 H new ATOM 0 HB3 ALA A 19 11.222 12.675 -9.750 1.00 43.42 H new ATOM 269 N GLN A 20 10.288 15.683 -10.572 1.00 64.50 N ATOM 270 CA GLN A 20 9.049 16.450 -10.613 1.00 62.23 C ATOM 271 C GLN A 20 9.302 17.865 -11.121 1.00 41.43 C ATOM 272 O GLN A 20 8.648 18.325 -12.057 1.00 11.54 O ATOM 273 CB GLN A 20 8.409 16.500 -9.225 1.00 3.12 C ATOM 274 CG GLN A 20 7.246 15.536 -9.056 1.00 2.14 C ATOM 275 CD GLN A 20 7.411 14.272 -9.877 1.00 4.44 C ATOM 276 OE1 GLN A 20 6.656 14.026 -10.817 1.00 53.11 O ATOM 277 NE2 GLN A 20 8.404 13.463 -9.525 1.00 14.02 N ATOM 0 H GLN A 20 10.919 15.941 -9.814 1.00 64.50 H new ATOM 0 HA GLN A 20 8.366 15.953 -11.302 1.00 62.23 H new ATOM 0 HB2 GLN A 20 9.168 16.275 -8.476 1.00 3.12 H new ATOM 0 HB3 GLN A 20 8.060 17.514 -9.031 1.00 3.12 H new ATOM 0 HG2 GLN A 20 7.149 15.271 -8.003 1.00 2.14 H new ATOM 0 HG3 GLN A 20 6.321 16.034 -9.346 1.00 2.14 H new ATOM 0 HE21 GLN A 20 9.006 13.707 -8.738 1.00 14.02 H new ATOM 0 HE22 GLN A 20 8.565 12.598 -10.041 1.00 14.02 H new ATOM 286 N MET A 21 10.255 18.551 -10.498 1.00 71.01 N ATOM 287 CA MET A 21 10.594 19.915 -10.888 1.00 63.53 C ATOM 288 C MET A 21 10.757 20.023 -12.401 1.00 71.41 C ATOM 289 O MET A 21 10.606 21.101 -12.977 1.00 73.52 O ATOM 290 CB MET A 21 11.881 20.362 -10.192 1.00 62.41 C ATOM 291 CG MET A 21 11.671 21.485 -9.190 1.00 43.32 C ATOM 292 SD MET A 21 11.328 20.878 -7.528 1.00 15.14 S ATOM 293 CE MET A 21 9.736 20.096 -7.775 1.00 74.53 C ATOM 0 H MET A 21 10.806 18.185 -9.721 1.00 71.01 H new ATOM 0 HA MET A 21 9.777 20.568 -10.580 1.00 63.53 H new ATOM 0 HB2 MET A 21 12.323 19.507 -9.680 1.00 62.41 H new ATOM 0 HB3 MET A 21 12.598 20.688 -10.946 1.00 62.41 H new ATOM 0 HG2 MET A 21 12.560 22.116 -9.166 1.00 43.32 H new ATOM 0 HG3 MET A 21 10.843 22.112 -9.521 1.00 43.32 H new ATOM 0 HE1 MET A 21 9.157 20.149 -6.853 1.00 74.53 H new ATOM 0 HE2 MET A 21 9.198 20.610 -8.571 1.00 74.53 H new ATOM 0 HE3 MET A 21 9.882 19.052 -8.051 1.00 74.53 H new ATOM 303 N THR A 22 11.066 18.899 -13.041 1.00 23.34 N ATOM 304 CA THR A 22 11.251 18.868 -14.486 1.00 32.31 C ATOM 305 C THR A 22 9.946 18.534 -15.200 1.00 12.23 C ATOM 306 O THR A 22 9.752 18.892 -16.362 1.00 3.23 O ATOM 307 CB THR A 22 12.323 17.840 -14.893 1.00 71.54 C ATOM 308 OG1 THR A 22 13.589 18.489 -15.052 1.00 23.24 O ATOM 309 CG2 THR A 22 11.939 17.143 -16.190 1.00 62.40 C ATOM 0 H THR A 22 11.193 17.998 -12.580 1.00 23.34 H new ATOM 0 HA THR A 22 11.581 19.863 -14.784 1.00 32.31 H new ATOM 0 HB THR A 22 12.395 17.092 -14.104 1.00 71.54 H new ATOM 0 HG1 THR A 22 14.265 17.828 -15.309 1.00 23.24 H new ATOM 0 HG21 THR A 22 12.711 16.422 -16.458 1.00 62.40 H new ATOM 0 HG22 THR A 22 10.989 16.625 -16.057 1.00 62.40 H new ATOM 0 HG23 THR A 22 11.842 17.882 -16.985 1.00 62.40 H new ATOM 317 N LYS A 23 9.052 17.847 -14.497 1.00 74.13 N ATOM 318 CA LYS A 23 7.763 17.466 -15.063 1.00 14.14 C ATOM 319 C LYS A 23 6.758 18.608 -14.944 1.00 70.34 C ATOM 320 O LYS A 23 5.551 18.380 -14.872 1.00 71.33 O ATOM 321 CB LYS A 23 7.221 16.221 -14.357 1.00 31.20 C ATOM 322 CG LYS A 23 7.341 14.953 -15.184 1.00 73.51 C ATOM 323 CD LYS A 23 7.670 13.750 -14.316 1.00 64.31 C ATOM 324 CE LYS A 23 8.965 13.083 -14.756 1.00 74.20 C ATOM 325 NZ LYS A 23 8.712 11.901 -15.626 1.00 33.44 N ATOM 0 H LYS A 23 9.196 17.543 -13.534 1.00 74.13 H new ATOM 0 HA LYS A 23 7.910 17.242 -16.120 1.00 14.14 H new ATOM 0 HB2 LYS A 23 7.756 16.084 -13.417 1.00 31.20 H new ATOM 0 HB3 LYS A 23 6.173 16.383 -14.106 1.00 31.20 H new ATOM 0 HG2 LYS A 23 6.406 14.774 -15.716 1.00 73.51 H new ATOM 0 HG3 LYS A 23 8.117 15.082 -15.938 1.00 73.51 H new ATOM 0 HD2 LYS A 23 7.756 14.063 -13.276 1.00 64.31 H new ATOM 0 HD3 LYS A 23 6.853 13.030 -14.366 1.00 64.31 H new ATOM 0 HE2 LYS A 23 9.581 13.804 -15.293 1.00 74.20 H new ATOM 0 HE3 LYS A 23 9.531 12.773 -13.877 1.00 74.20 H new ATOM 0 HZ1 LYS A 23 9.619 11.475 -15.905 1.00 33.44 H new ATOM 0 HZ2 LYS A 23 8.146 11.201 -15.105 1.00 33.44 H new ATOM 0 HZ3 LYS A 23 8.195 12.201 -16.477 1.00 33.44 H new ATOM 339 N ALA A 24 7.265 19.836 -14.926 1.00 54.35 N ATOM 340 CA ALA A 24 6.411 21.013 -14.821 1.00 1.12 C ATOM 341 C ALA A 24 6.712 22.011 -15.934 1.00 11.23 C ATOM 342 O ALA A 24 5.800 22.557 -16.556 1.00 23.21 O ATOM 343 CB ALA A 24 6.584 21.670 -13.459 1.00 70.12 C ATOM 0 H ALA A 24 8.262 20.042 -14.983 1.00 54.35 H new ATOM 0 HA ALA A 24 5.375 20.691 -14.928 1.00 1.12 H new ATOM 0 HB1 ALA A 24 5.941 22.548 -13.394 1.00 70.12 H new ATOM 0 HB2 ALA A 24 6.312 20.962 -12.676 1.00 70.12 H new ATOM 0 HB3 ALA A 24 7.623 21.972 -13.330 1.00 70.12 H new ATOM 349 N LYS A 25 7.996 22.247 -16.180 1.00 22.43 N ATOM 350 CA LYS A 25 8.418 23.179 -17.218 1.00 64.12 C ATOM 351 C LYS A 25 8.092 22.633 -18.605 1.00 2.23 C ATOM 352 O LYS A 25 7.665 23.375 -19.488 1.00 54.12 O ATOM 353 CB LYS A 25 9.920 23.453 -17.107 1.00 31.13 C ATOM 354 CG LYS A 25 10.764 22.192 -17.031 1.00 2.51 C ATOM 355 CD LYS A 25 11.720 22.232 -15.851 1.00 24.13 C ATOM 356 CE LYS A 25 12.491 23.542 -15.801 1.00 13.41 C ATOM 357 NZ LYS A 25 13.903 23.340 -15.374 1.00 32.12 N ATOM 0 H LYS A 25 8.763 21.805 -15.674 1.00 22.43 H new ATOM 0 HA LYS A 25 7.873 24.112 -17.076 1.00 64.12 H new ATOM 0 HB2 LYS A 25 10.238 24.042 -17.967 1.00 31.13 H new ATOM 0 HB3 LYS A 25 10.106 24.059 -16.220 1.00 31.13 H new ATOM 0 HG2 LYS A 25 10.113 21.322 -16.944 1.00 2.51 H new ATOM 0 HG3 LYS A 25 11.330 22.075 -17.955 1.00 2.51 H new ATOM 0 HD2 LYS A 25 11.161 22.102 -14.924 1.00 24.13 H new ATOM 0 HD3 LYS A 25 12.420 21.399 -15.920 1.00 24.13 H new ATOM 0 HE2 LYS A 25 12.473 24.011 -16.785 1.00 13.41 H new ATOM 0 HE3 LYS A 25 11.998 24.227 -15.112 1.00 13.41 H new ATOM 0 HZ1 LYS A 25 14.394 24.257 -15.353 1.00 32.12 H new ATOM 0 HZ2 LYS A 25 13.921 22.915 -14.425 1.00 32.12 H new ATOM 0 HZ3 LYS A 25 14.382 22.707 -16.046 1.00 32.12 H new ATOM 371 N GLU A 26 8.296 21.332 -18.787 1.00 13.13 N ATOM 372 CA GLU A 26 8.022 20.688 -20.066 1.00 40.41 C ATOM 373 C GLU A 26 6.559 20.265 -20.160 1.00 60.31 C ATOM 374 O GLU A 26 5.913 20.449 -21.191 1.00 45.14 O ATOM 375 CB GLU A 26 8.930 19.471 -20.255 1.00 10.35 C ATOM 376 CG GLU A 26 9.196 18.706 -18.969 1.00 62.23 C ATOM 377 CD GLU A 26 9.271 17.207 -19.188 1.00 4.12 C ATOM 378 OE1 GLU A 26 8.438 16.676 -19.951 1.00 21.41 O ATOM 379 OE2 GLU A 26 10.165 16.566 -18.595 1.00 75.13 O ATOM 0 H GLU A 26 8.650 20.704 -18.065 1.00 13.13 H new ATOM 0 HA GLU A 26 8.225 21.409 -20.857 1.00 40.41 H new ATOM 0 HB2 GLU A 26 8.475 18.798 -20.981 1.00 10.35 H new ATOM 0 HB3 GLU A 26 9.880 19.799 -20.676 1.00 10.35 H new ATOM 0 HG2 GLU A 26 10.132 19.053 -18.531 1.00 62.23 H new ATOM 0 HG3 GLU A 26 8.407 18.926 -18.250 1.00 62.23 H new ATOM 386 N ALA A 27 6.043 19.695 -19.076 1.00 3.44 N ATOM 387 CA ALA A 27 4.657 19.247 -19.034 1.00 61.43 C ATOM 388 C ALA A 27 3.696 20.417 -19.208 1.00 14.41 C ATOM 389 O ALA A 27 2.603 20.261 -19.751 1.00 60.34 O ATOM 390 CB ALA A 27 4.376 18.520 -17.727 1.00 63.14 C ATOM 0 H ALA A 27 6.565 19.533 -18.215 1.00 3.44 H new ATOM 0 HA ALA A 27 4.500 18.556 -19.862 1.00 61.43 H new ATOM 0 HB1 ALA A 27 3.337 18.191 -17.710 1.00 63.14 H new ATOM 0 HB2 ALA A 27 5.032 17.654 -17.644 1.00 63.14 H new ATOM 0 HB3 ALA A 27 4.557 19.194 -16.890 1.00 63.14 H new ATOM 396 N GLY A 28 4.110 21.592 -18.742 1.00 33.34 N ATOM 397 CA GLY A 28 3.272 22.772 -18.854 1.00 65.34 C ATOM 398 C GLY A 28 2.353 22.946 -17.662 1.00 50.30 C ATOM 399 O GLY A 28 1.216 23.396 -17.806 1.00 32.15 O ATOM 0 H GLY A 28 5.011 21.748 -18.289 1.00 33.34 H new ATOM 0 HA2 GLY A 28 3.904 23.654 -18.953 1.00 65.34 H new ATOM 0 HA3 GLY A 28 2.674 22.704 -19.763 1.00 65.34 H new ATOM 403 N LYS A 29 2.844 22.588 -16.481 1.00 4.45 N ATOM 404 CA LYS A 29 2.060 22.707 -15.257 1.00 72.03 C ATOM 405 C LYS A 29 2.886 23.334 -14.139 1.00 44.54 C ATOM 406 O LYS A 29 4.115 23.262 -14.147 1.00 23.35 O ATOM 407 CB LYS A 29 1.550 21.332 -14.819 1.00 11.32 C ATOM 408 CG LYS A 29 2.649 20.400 -14.339 1.00 41.41 C ATOM 409 CD LYS A 29 2.140 18.979 -14.168 1.00 30.00 C ATOM 410 CE LYS A 29 1.298 18.542 -15.357 1.00 22.40 C ATOM 411 NZ LYS A 29 1.355 17.068 -15.564 1.00 52.05 N ATOM 0 H LYS A 29 3.783 22.212 -16.345 1.00 4.45 H new ATOM 0 HA LYS A 29 1.209 23.356 -15.462 1.00 72.03 H new ATOM 0 HB2 LYS A 29 0.821 21.462 -14.019 1.00 11.32 H new ATOM 0 HB3 LYS A 29 1.028 20.865 -15.654 1.00 11.32 H new ATOM 0 HG2 LYS A 29 3.472 20.409 -15.053 1.00 41.41 H new ATOM 0 HG3 LYS A 29 3.046 20.762 -13.390 1.00 41.41 H new ATOM 0 HD2 LYS A 29 2.985 18.300 -14.050 1.00 30.00 H new ATOM 0 HD3 LYS A 29 1.547 18.911 -13.256 1.00 30.00 H new ATOM 0 HE2 LYS A 29 0.263 18.847 -15.201 1.00 22.40 H new ATOM 0 HE3 LYS A 29 1.648 19.049 -16.256 1.00 22.40 H new ATOM 0 HZ1 LYS A 29 0.769 16.810 -16.383 1.00 52.05 H new ATOM 0 HZ2 LYS A 29 2.339 16.780 -15.738 1.00 52.05 H new ATOM 0 HZ3 LYS A 29 0.997 16.584 -14.716 1.00 52.05 H new ATOM 425 N VAL A 30 2.204 23.950 -13.179 1.00 20.33 N ATOM 426 CA VAL A 30 2.875 24.588 -12.053 1.00 23.45 C ATOM 427 C VAL A 30 3.544 23.553 -11.154 1.00 11.42 C ATOM 428 O VAL A 30 3.240 22.363 -11.227 1.00 21.44 O ATOM 429 CB VAL A 30 1.891 25.422 -11.212 1.00 11.30 C ATOM 430 CG1 VAL A 30 1.925 24.983 -9.756 1.00 63.43 C ATOM 431 CG2 VAL A 30 2.208 26.905 -11.337 1.00 60.23 C ATOM 0 H VAL A 30 1.187 24.021 -13.159 1.00 20.33 H new ATOM 0 HA VAL A 30 3.635 25.249 -12.471 1.00 23.45 H new ATOM 0 HB VAL A 30 0.884 25.255 -11.593 1.00 11.30 H new ATOM 0 HG11 VAL A 30 1.223 25.584 -9.178 1.00 63.43 H new ATOM 0 HG12 VAL A 30 1.646 23.932 -9.686 1.00 63.43 H new ATOM 0 HG13 VAL A 30 2.931 25.118 -9.359 1.00 63.43 H new ATOM 0 HG21 VAL A 30 1.503 27.480 -10.736 1.00 60.23 H new ATOM 0 HG22 VAL A 30 3.222 27.091 -10.983 1.00 60.23 H new ATOM 0 HG23 VAL A 30 2.126 27.208 -12.381 1.00 60.23 H new ATOM 441 N VAL A 31 4.456 24.016 -10.305 1.00 44.43 N ATOM 442 CA VAL A 31 5.168 23.132 -9.390 1.00 72.11 C ATOM 443 C VAL A 31 4.812 23.441 -7.940 1.00 64.41 C ATOM 444 O VAL A 31 4.596 24.597 -7.576 1.00 73.22 O ATOM 445 CB VAL A 31 6.693 23.248 -9.569 1.00 41.23 C ATOM 446 CG1 VAL A 31 7.420 22.541 -8.436 1.00 34.43 C ATOM 447 CG2 VAL A 31 7.115 22.685 -10.918 1.00 22.12 C ATOM 0 H VAL A 31 4.719 24.999 -10.232 1.00 44.43 H new ATOM 0 HA VAL A 31 4.859 22.114 -9.628 1.00 72.11 H new ATOM 0 HB VAL A 31 6.965 24.303 -9.540 1.00 41.23 H new ATOM 0 HG11 VAL A 31 8.496 22.634 -8.580 1.00 34.43 H new ATOM 0 HG12 VAL A 31 7.141 22.995 -7.485 1.00 34.43 H new ATOM 0 HG13 VAL A 31 7.145 21.486 -8.429 1.00 34.43 H new ATOM 0 HG21 VAL A 31 8.196 22.775 -11.028 1.00 22.12 H new ATOM 0 HG22 VAL A 31 6.830 21.635 -10.979 1.00 22.12 H new ATOM 0 HG23 VAL A 31 6.622 23.242 -11.715 1.00 22.12 H new ATOM 457 N ILE A 32 4.755 22.400 -7.116 1.00 72.54 N ATOM 458 CA ILE A 32 4.427 22.560 -5.705 1.00 62.12 C ATOM 459 C ILE A 32 5.252 21.614 -4.839 1.00 1.44 C ATOM 460 O ILE A 32 4.904 20.445 -4.674 1.00 64.53 O ATOM 461 CB ILE A 32 2.931 22.306 -5.442 1.00 62.21 C ATOM 462 CG1 ILE A 32 2.074 23.133 -6.403 1.00 4.14 C ATOM 463 CG2 ILE A 32 2.584 22.634 -3.998 1.00 23.14 C ATOM 464 CD1 ILE A 32 1.556 22.343 -7.584 1.00 23.23 C ATOM 0 H ILE A 32 4.932 21.437 -7.401 1.00 72.54 H new ATOM 0 HA ILE A 32 4.663 23.591 -5.441 1.00 62.12 H new ATOM 0 HB ILE A 32 2.721 21.250 -5.615 1.00 62.21 H new ATOM 0 HG12 ILE A 32 1.228 23.549 -5.856 1.00 4.14 H new ATOM 0 HG13 ILE A 32 2.662 23.974 -6.769 1.00 4.14 H new ATOM 0 HG21 ILE A 32 1.523 22.449 -3.828 1.00 23.14 H new ATOM 0 HG22 ILE A 32 3.173 22.006 -3.330 1.00 23.14 H new ATOM 0 HG23 ILE A 32 2.806 23.682 -3.800 1.00 23.14 H new ATOM 0 HD11 ILE A 32 0.957 22.993 -8.222 1.00 23.23 H new ATOM 0 HD12 ILE A 32 2.397 21.949 -8.155 1.00 23.23 H new ATOM 0 HD13 ILE A 32 0.940 21.517 -7.227 1.00 23.23 H new ATOM 476 N ILE A 33 6.345 22.129 -4.285 1.00 53.52 N ATOM 477 CA ILE A 33 7.217 21.332 -3.433 1.00 24.33 C ATOM 478 C ILE A 33 6.934 21.594 -1.957 1.00 44.35 C ATOM 479 O ILE A 33 6.964 22.738 -1.503 1.00 52.22 O ATOM 480 CB ILE A 33 8.703 21.622 -3.719 1.00 14.24 C ATOM 481 CG1 ILE A 33 8.894 22.020 -5.184 1.00 22.43 C ATOM 482 CG2 ILE A 33 9.555 20.409 -3.377 1.00 52.04 C ATOM 483 CD1 ILE A 33 9.157 23.496 -5.380 1.00 11.31 C ATOM 0 H ILE A 33 6.647 23.095 -4.412 1.00 53.52 H new ATOM 0 HA ILE A 33 7.009 20.286 -3.660 1.00 24.33 H new ATOM 0 HB ILE A 33 9.024 22.454 -3.092 1.00 14.24 H new ATOM 0 HG12 ILE A 33 9.726 21.453 -5.601 1.00 22.43 H new ATOM 0 HG13 ILE A 33 8.004 21.740 -5.747 1.00 22.43 H new ATOM 0 HG21 ILE A 33 10.602 20.630 -3.585 1.00 52.04 H new ATOM 0 HG22 ILE A 33 9.437 20.168 -2.321 1.00 52.04 H new ATOM 0 HG23 ILE A 33 9.237 19.559 -3.981 1.00 52.04 H new ATOM 0 HD11 ILE A 33 9.282 23.705 -6.442 1.00 11.31 H new ATOM 0 HD12 ILE A 33 8.315 24.070 -4.994 1.00 11.31 H new ATOM 0 HD13 ILE A 33 10.064 23.778 -4.845 1.00 11.31 H new ATOM 495 N ASP A 34 6.662 20.528 -1.214 1.00 62.41 N ATOM 496 CA ASP A 34 6.377 20.642 0.211 1.00 32.44 C ATOM 497 C ASP A 34 7.584 20.218 1.043 1.00 75.31 C ATOM 498 O ASP A 34 7.793 19.030 1.291 1.00 3.21 O ATOM 499 CB ASP A 34 5.162 19.788 0.580 1.00 25.11 C ATOM 500 CG ASP A 34 5.195 19.328 2.024 1.00 11.34 C ATOM 501 OD1 ASP A 34 5.336 20.189 2.918 1.00 13.14 O ATOM 502 OD2 ASP A 34 5.079 18.108 2.261 1.00 73.20 O ATOM 0 H ASP A 34 6.633 19.574 -1.575 1.00 62.41 H new ATOM 0 HA ASP A 34 6.157 21.687 0.430 1.00 32.44 H new ATOM 0 HB2 ASP A 34 4.252 20.362 0.405 1.00 25.11 H new ATOM 0 HB3 ASP A 34 5.121 18.918 -0.075 1.00 25.11 H new ATOM 507 N PHE A 35 8.375 21.196 1.470 1.00 53.43 N ATOM 508 CA PHE A 35 9.562 20.925 2.272 1.00 61.25 C ATOM 509 C PHE A 35 9.187 20.250 3.588 1.00 51.22 C ATOM 510 O PHE A 35 8.077 19.739 3.744 1.00 42.45 O ATOM 511 CB PHE A 35 10.324 22.222 2.549 1.00 14.54 C ATOM 512 CG PHE A 35 11.090 22.733 1.363 1.00 4.31 C ATOM 513 CD1 PHE A 35 12.192 22.043 0.884 1.00 30.20 C ATOM 514 CD2 PHE A 35 10.709 23.904 0.727 1.00 62.41 C ATOM 515 CE1 PHE A 35 12.900 22.511 -0.207 1.00 14.22 C ATOM 516 CE2 PHE A 35 11.413 24.377 -0.365 1.00 32.32 C ATOM 517 CZ PHE A 35 12.509 23.679 -0.833 1.00 31.22 C ATOM 0 H PHE A 35 8.215 22.184 1.274 1.00 53.43 H new ATOM 0 HA PHE A 35 10.204 20.249 1.708 1.00 61.25 H new ATOM 0 HB2 PHE A 35 9.618 22.987 2.872 1.00 14.54 H new ATOM 0 HB3 PHE A 35 11.016 22.058 3.375 1.00 14.54 H new ATOM 0 HD1 PHE A 35 12.501 21.129 1.369 1.00 30.20 H new ATOM 0 HD2 PHE A 35 9.852 24.453 1.089 1.00 62.41 H new ATOM 0 HE1 PHE A 35 13.758 21.964 -0.570 1.00 14.22 H new ATOM 0 HE2 PHE A 35 11.106 25.291 -0.851 1.00 32.32 H new ATOM 0 HZ PHE A 35 13.059 24.046 -1.687 1.00 31.22 H new ATOM 527 N THR A 36 10.121 20.252 4.534 1.00 31.30 N ATOM 528 CA THR A 36 9.890 19.639 5.836 1.00 5.22 C ATOM 529 C THR A 36 11.207 19.298 6.524 1.00 24.10 C ATOM 530 O THR A 36 12.033 18.567 5.977 1.00 33.24 O ATOM 531 CB THR A 36 9.042 18.359 5.713 1.00 41.50 C ATOM 532 OG1 THR A 36 9.172 17.570 6.900 1.00 34.53 O ATOM 533 CG2 THR A 36 9.470 17.541 4.504 1.00 13.01 C ATOM 0 H THR A 36 11.044 20.671 4.423 1.00 31.30 H new ATOM 0 HA THR A 36 9.347 20.369 6.437 1.00 5.22 H new ATOM 0 HB THR A 36 8.000 18.650 5.584 1.00 41.50 H new ATOM 0 HG1 THR A 36 8.629 16.759 6.815 1.00 34.53 H new ATOM 0 HG21 THR A 36 8.857 16.642 4.438 1.00 13.01 H new ATOM 0 HG22 THR A 36 9.342 18.135 3.599 1.00 13.01 H new ATOM 0 HG23 THR A 36 10.518 17.259 4.608 1.00 13.01 H new ATOM 629 N ARG A 44 -0.366 14.708 9.645 1.00 54.30 N ATOM 630 CA ARG A 44 -1.390 13.725 9.977 1.00 54.13 C ATOM 631 C ARG A 44 -2.787 14.313 9.797 1.00 31.13 C ATOM 632 O ARG A 44 -3.709 13.626 9.357 1.00 14.15 O ATOM 633 CB ARG A 44 -1.212 13.237 11.416 1.00 61.05 C ATOM 634 CG ARG A 44 -0.234 12.081 11.550 1.00 72.04 C ATOM 635 CD ARG A 44 -0.714 11.061 12.571 1.00 40.24 C ATOM 636 NE ARG A 44 0.368 10.607 13.441 1.00 54.33 N ATOM 637 CZ ARG A 44 1.349 9.808 13.037 1.00 32.25 C ATOM 638 NH1 ARG A 44 1.384 9.377 11.784 1.00 23.42 N ATOM 639 NH2 ARG A 44 2.297 9.438 13.889 1.00 44.35 N ATOM 0 HA ARG A 44 -1.280 12.880 9.298 1.00 54.13 H new ATOM 0 HB2 ARG A 44 -0.867 14.067 12.032 1.00 61.05 H new ATOM 0 HB3 ARG A 44 -2.181 12.930 11.809 1.00 61.05 H new ATOM 0 HG2 ARG A 44 -0.107 11.596 10.582 1.00 72.04 H new ATOM 0 HG3 ARG A 44 0.743 12.462 11.846 1.00 72.04 H new ATOM 0 HD2 ARG A 44 -1.507 11.500 13.177 1.00 40.24 H new ATOM 0 HD3 ARG A 44 -1.146 10.205 12.053 1.00 40.24 H new ATOM 0 HE ARG A 44 0.370 10.921 14.412 1.00 54.33 H new ATOM 0 HH11 ARG A 44 0.656 9.659 11.127 1.00 23.42 H new ATOM 0 HH12 ARG A 44 2.139 8.763 11.477 1.00 23.42 H new ATOM 0 HH21 ARG A 44 2.272 9.767 14.854 1.00 44.35 H new ATOM 0 HH22 ARG A 44 3.050 8.824 13.579 1.00 44.35 H new ATOM 653 N PHE A 45 -2.935 15.588 10.141 1.00 34.12 N ATOM 654 CA PHE A 45 -4.220 16.268 10.020 1.00 44.13 C ATOM 655 C PHE A 45 -4.475 16.694 8.577 1.00 72.42 C ATOM 656 O PHE A 45 -5.593 16.577 8.073 1.00 2.21 O ATOM 657 CB PHE A 45 -4.262 17.491 10.939 1.00 72.50 C ATOM 658 CG PHE A 45 -5.473 18.355 10.731 1.00 43.10 C ATOM 659 CD1 PHE A 45 -6.689 18.015 11.300 1.00 75.43 C ATOM 660 CD2 PHE A 45 -5.394 19.508 9.967 1.00 3.42 C ATOM 661 CE1 PHE A 45 -7.805 18.808 11.109 1.00 1.01 C ATOM 662 CE2 PHE A 45 -6.506 20.306 9.773 1.00 1.05 C ATOM 663 CZ PHE A 45 -7.713 19.956 10.346 1.00 22.22 C ATOM 0 H PHE A 45 -2.182 16.171 10.506 1.00 34.12 H new ATOM 0 HA PHE A 45 -5.002 15.570 10.319 1.00 44.13 H new ATOM 0 HB2 PHE A 45 -4.237 17.157 11.976 1.00 72.50 H new ATOM 0 HB3 PHE A 45 -3.366 18.090 10.775 1.00 72.50 H new ATOM 0 HD1 PHE A 45 -6.766 17.120 11.900 1.00 75.43 H new ATOM 0 HD2 PHE A 45 -4.452 19.787 9.518 1.00 3.42 H new ATOM 0 HE1 PHE A 45 -8.748 18.530 11.556 1.00 1.01 H new ATOM 0 HE2 PHE A 45 -6.431 21.202 9.174 1.00 1.05 H new ATOM 0 HZ PHE A 45 -8.583 20.578 10.198 1.00 22.22 H new ATOM 673 N ILE A 46 -3.432 17.187 7.918 1.00 12.43 N ATOM 674 CA ILE A 46 -3.543 17.630 6.534 1.00 71.21 C ATOM 675 C ILE A 46 -2.902 16.625 5.583 1.00 43.33 C ATOM 676 O ILE A 46 -2.735 16.899 4.395 1.00 54.05 O ATOM 677 CB ILE A 46 -2.885 19.007 6.329 1.00 62.15 C ATOM 678 CG1 ILE A 46 -3.534 19.736 5.151 1.00 53.33 C ATOM 679 CG2 ILE A 46 -1.389 18.850 6.102 1.00 43.24 C ATOM 680 CD1 ILE A 46 -3.502 21.243 5.281 1.00 44.02 C ATOM 0 H ILE A 46 -2.500 17.290 8.320 1.00 12.43 H new ATOM 0 HA ILE A 46 -4.607 17.709 6.312 1.00 71.21 H new ATOM 0 HB ILE A 46 -3.036 19.603 7.229 1.00 62.15 H new ATOM 0 HG12 ILE A 46 -3.025 19.448 4.231 1.00 53.33 H new ATOM 0 HG13 ILE A 46 -4.570 19.409 5.058 1.00 53.33 H new ATOM 0 HG21 ILE A 46 -0.938 19.832 5.959 1.00 43.24 H new ATOM 0 HG22 ILE A 46 -0.938 18.366 6.969 1.00 43.24 H new ATOM 0 HG23 ILE A 46 -1.218 18.239 5.216 1.00 43.24 H new ATOM 0 HD11 ILE A 46 -3.979 21.693 4.411 1.00 44.02 H new ATOM 0 HD12 ILE A 46 -4.036 21.542 6.183 1.00 44.02 H new ATOM 0 HD13 ILE A 46 -2.468 21.581 5.343 1.00 44.02 H new ATOM 692 N ALA A 47 -2.545 15.460 6.114 1.00 41.43 N ATOM 693 CA ALA A 47 -1.925 14.413 5.311 1.00 33.14 C ATOM 694 C ALA A 47 -2.808 14.034 4.127 1.00 42.53 C ATOM 695 O ALA A 47 -2.384 14.065 2.971 1.00 1.12 O ATOM 696 CB ALA A 47 -1.639 13.190 6.170 1.00 4.23 C ATOM 0 H ALA A 47 -2.674 15.218 7.096 1.00 41.43 H new ATOM 0 HA ALA A 47 -0.983 14.798 4.920 1.00 33.14 H new ATOM 0 HB1 ALA A 47 -1.176 12.416 5.558 1.00 4.23 H new ATOM 0 HB2 ALA A 47 -0.963 13.464 6.980 1.00 4.23 H new ATOM 0 HB3 ALA A 47 -2.572 12.813 6.588 1.00 4.23 H new ATOM 702 N PRO A 48 -4.065 13.668 4.417 1.00 21.05 N ATOM 703 CA PRO A 48 -5.033 13.276 3.389 1.00 51.20 C ATOM 704 C PRO A 48 -5.472 14.455 2.527 1.00 70.11 C ATOM 705 O PRO A 48 -6.340 14.317 1.665 1.00 40.32 O ATOM 706 CB PRO A 48 -6.214 12.738 4.200 1.00 13.14 C ATOM 707 CG PRO A 48 -6.108 13.419 5.521 1.00 13.30 C ATOM 708 CD PRO A 48 -4.638 13.608 5.773 1.00 41.44 C ATOM 0 HA PRO A 48 -4.614 12.553 2.690 1.00 51.20 H new ATOM 0 HB2 PRO A 48 -7.163 12.963 3.714 1.00 13.14 H new ATOM 0 HB3 PRO A 48 -6.160 11.655 4.308 1.00 13.14 H new ATOM 0 HG2 PRO A 48 -6.628 14.377 5.509 1.00 13.30 H new ATOM 0 HG3 PRO A 48 -6.565 12.818 6.307 1.00 13.30 H new ATOM 0 HD2 PRO A 48 -4.440 14.522 6.334 1.00 41.44 H new ATOM 0 HD3 PRO A 48 -4.220 12.783 6.350 1.00 41.44 H new ATOM 716 N VAL A 49 -4.866 15.614 2.765 1.00 54.12 N ATOM 717 CA VAL A 49 -5.194 16.817 2.009 1.00 62.03 C ATOM 718 C VAL A 49 -4.182 17.058 0.894 1.00 71.20 C ATOM 719 O VAL A 49 -4.554 17.300 -0.255 1.00 24.33 O ATOM 720 CB VAL A 49 -5.242 18.057 2.921 1.00 45.45 C ATOM 721 CG1 VAL A 49 -5.032 19.326 2.108 1.00 50.11 C ATOM 722 CG2 VAL A 49 -6.560 18.111 3.678 1.00 43.12 C ATOM 0 H VAL A 49 -4.146 15.745 3.475 1.00 54.12 H new ATOM 0 HA VAL A 49 -6.180 16.658 1.573 1.00 62.03 H new ATOM 0 HB VAL A 49 -4.434 17.983 3.649 1.00 45.45 H new ATOM 0 HG11 VAL A 49 -5.069 20.192 2.769 1.00 50.11 H new ATOM 0 HG12 VAL A 49 -4.060 19.286 1.616 1.00 50.11 H new ATOM 0 HG13 VAL A 49 -5.816 19.410 1.356 1.00 50.11 H new ATOM 0 HG21 VAL A 49 -6.576 18.994 4.317 1.00 43.12 H new ATOM 0 HG22 VAL A 49 -7.386 18.162 2.968 1.00 43.12 H new ATOM 0 HG23 VAL A 49 -6.664 17.216 4.292 1.00 43.12 H new ATOM 732 N PHE A 50 -2.901 16.989 1.240 1.00 0.53 N ATOM 733 CA PHE A 50 -1.834 17.201 0.269 1.00 71.42 C ATOM 734 C PHE A 50 -1.868 16.130 -0.818 1.00 33.22 C ATOM 735 O PHE A 50 -2.240 16.401 -1.959 1.00 63.43 O ATOM 736 CB PHE A 50 -0.472 17.193 0.966 1.00 61.43 C ATOM 737 CG PHE A 50 -0.339 18.239 2.035 1.00 54.43 C ATOM 738 CD1 PHE A 50 -1.259 19.272 2.129 1.00 25.14 C ATOM 739 CD2 PHE A 50 0.704 18.191 2.945 1.00 30.40 C ATOM 740 CE1 PHE A 50 -1.138 20.237 3.112 1.00 72.34 C ATOM 741 CE2 PHE A 50 0.829 19.153 3.930 1.00 62.53 C ATOM 742 CZ PHE A 50 -0.094 20.176 4.014 1.00 41.34 C ATOM 0 H PHE A 50 -2.576 16.788 2.186 1.00 0.53 H new ATOM 0 HA PHE A 50 -1.989 18.174 -0.198 1.00 71.42 H new ATOM 0 HB2 PHE A 50 -0.305 16.211 1.408 1.00 61.43 H new ATOM 0 HB3 PHE A 50 0.309 17.345 0.221 1.00 61.43 H new ATOM 0 HD1 PHE A 50 -2.078 19.323 1.427 1.00 25.14 H new ATOM 0 HD2 PHE A 50 1.428 17.392 2.884 1.00 30.40 H new ATOM 0 HE1 PHE A 50 -1.860 21.038 3.174 1.00 72.34 H new ATOM 0 HE2 PHE A 50 1.648 19.104 4.633 1.00 62.53 H new ATOM 0 HZ PHE A 50 0.000 20.928 4.784 1.00 41.34 H new ATOM 752 N ALA A 51 -1.477 14.913 -0.454 1.00 35.05 N ATOM 753 CA ALA A 51 -1.464 13.801 -1.396 1.00 35.24 C ATOM 754 C ALA A 51 -2.746 13.765 -2.221 1.00 14.33 C ATOM 755 O ALA A 51 -2.704 13.644 -3.444 1.00 61.24 O ATOM 756 CB ALA A 51 -1.274 12.485 -0.656 1.00 62.11 C ATOM 0 H ALA A 51 -1.165 14.672 0.487 1.00 35.05 H new ATOM 0 HA ALA A 51 -0.627 13.946 -2.079 1.00 35.24 H new ATOM 0 HB1 ALA A 51 -1.266 11.663 -1.372 1.00 62.11 H new ATOM 0 HB2 ALA A 51 -0.328 12.505 -0.116 1.00 62.11 H new ATOM 0 HB3 ALA A 51 -2.092 12.343 0.050 1.00 62.11 H new ATOM 762 N GLU A 52 -3.885 13.871 -1.542 1.00 43.22 N ATOM 763 CA GLU A 52 -5.179 13.849 -2.214 1.00 44.41 C ATOM 764 C GLU A 52 -5.333 15.055 -3.136 1.00 51.25 C ATOM 765 O GLU A 52 -5.998 14.979 -4.170 1.00 61.30 O ATOM 766 CB GLU A 52 -6.312 13.831 -1.186 1.00 42.31 C ATOM 767 CG GLU A 52 -6.879 15.208 -0.881 1.00 23.51 C ATOM 768 CD GLU A 52 -8.102 15.149 0.013 1.00 54.32 C ATOM 769 OE1 GLU A 52 -8.894 14.194 -0.128 1.00 31.31 O ATOM 770 OE2 GLU A 52 -8.269 16.059 0.852 1.00 24.31 O ATOM 0 H GLU A 52 -3.937 13.973 -0.528 1.00 43.22 H new ATOM 0 HA GLU A 52 -5.231 12.943 -2.817 1.00 44.41 H new ATOM 0 HB2 GLU A 52 -7.114 13.190 -1.553 1.00 42.31 H new ATOM 0 HB3 GLU A 52 -5.945 13.385 -0.261 1.00 42.31 H new ATOM 0 HG2 GLU A 52 -6.111 15.815 -0.401 1.00 23.51 H new ATOM 0 HG3 GLU A 52 -7.140 15.705 -1.815 1.00 23.51 H new ATOM 777 N TYR A 53 -4.715 16.167 -2.755 1.00 11.32 N ATOM 778 CA TYR A 53 -4.786 17.391 -3.545 1.00 22.31 C ATOM 779 C TYR A 53 -3.988 17.251 -4.838 1.00 30.01 C ATOM 780 O TYR A 53 -4.463 17.608 -5.915 1.00 53.42 O ATOM 781 CB TYR A 53 -4.261 18.577 -2.735 1.00 12.24 C ATOM 782 CG TYR A 53 -5.299 19.197 -1.827 1.00 34.35 C ATOM 783 CD1 TYR A 53 -6.506 18.554 -1.579 1.00 55.24 C ATOM 784 CD2 TYR A 53 -5.074 20.424 -1.217 1.00 10.53 C ATOM 785 CE1 TYR A 53 -7.458 19.117 -0.751 1.00 74.40 C ATOM 786 CE2 TYR A 53 -6.020 20.994 -0.386 1.00 25.42 C ATOM 787 CZ TYR A 53 -7.210 20.336 -0.156 1.00 51.03 C ATOM 788 OH TYR A 53 -8.155 20.900 0.670 1.00 51.34 O ATOM 0 H TYR A 53 -4.159 16.246 -1.904 1.00 11.32 H new ATOM 0 HA TYR A 53 -5.831 17.568 -3.801 1.00 22.31 H new ATOM 0 HB2 TYR A 53 -3.414 18.249 -2.133 1.00 12.24 H new ATOM 0 HB3 TYR A 53 -3.889 19.338 -3.421 1.00 12.24 H new ATOM 0 HD1 TYR A 53 -6.703 17.598 -2.041 1.00 55.24 H new ATOM 0 HD2 TYR A 53 -4.143 20.942 -1.395 1.00 10.53 H new ATOM 0 HE1 TYR A 53 -8.392 18.605 -0.571 1.00 74.40 H new ATOM 0 HE2 TYR A 53 -5.828 21.949 0.080 1.00 25.42 H new ATOM 0 HH TYR A 53 -8.310 21.830 0.402 1.00 51.34 H new ATOM 798 N ALA A 54 -2.772 16.728 -4.721 1.00 70.45 N ATOM 799 CA ALA A 54 -1.908 16.537 -5.880 1.00 11.30 C ATOM 800 C ALA A 54 -2.699 16.015 -7.075 1.00 0.23 C ATOM 801 O ALA A 54 -2.529 16.487 -8.199 1.00 63.43 O ATOM 802 CB ALA A 54 -0.771 15.585 -5.540 1.00 35.30 C ATOM 0 H ALA A 54 -2.363 16.429 -3.836 1.00 70.45 H new ATOM 0 HA ALA A 54 -1.487 17.505 -6.152 1.00 11.30 H new ATOM 0 HB1 ALA A 54 -0.134 15.452 -6.415 1.00 35.30 H new ATOM 0 HB2 ALA A 54 -0.182 15.999 -4.722 1.00 35.30 H new ATOM 0 HB3 ALA A 54 -1.181 14.621 -5.240 1.00 35.30 H new ATOM 808 N LYS A 55 -3.564 15.038 -6.824 1.00 52.43 N ATOM 809 CA LYS A 55 -4.383 14.452 -7.879 1.00 25.43 C ATOM 810 C LYS A 55 -5.542 15.373 -8.244 1.00 32.12 C ATOM 811 O LYS A 55 -5.870 15.540 -9.419 1.00 1.13 O ATOM 812 CB LYS A 55 -4.920 13.089 -7.437 1.00 22.53 C ATOM 813 CG LYS A 55 -3.858 12.179 -6.843 1.00 44.43 C ATOM 814 CD LYS A 55 -4.476 11.074 -6.004 1.00 65.40 C ATOM 815 CE LYS A 55 -5.485 10.265 -6.804 1.00 32.11 C ATOM 816 NZ LYS A 55 -4.823 9.242 -7.661 1.00 12.44 N ATOM 0 H LYS A 55 -3.716 14.635 -5.899 1.00 52.43 H new ATOM 0 HA LYS A 55 -3.756 14.321 -8.761 1.00 25.43 H new ATOM 0 HB2 LYS A 55 -5.710 13.240 -6.701 1.00 22.53 H new ATOM 0 HB3 LYS A 55 -5.374 12.592 -8.294 1.00 22.53 H new ATOM 0 HG2 LYS A 55 -3.264 11.740 -7.645 1.00 44.43 H new ATOM 0 HG3 LYS A 55 -3.177 12.767 -6.227 1.00 44.43 H new ATOM 0 HD2 LYS A 55 -3.691 10.415 -5.634 1.00 65.40 H new ATOM 0 HD3 LYS A 55 -4.965 11.508 -5.132 1.00 65.40 H new ATOM 0 HE2 LYS A 55 -6.179 9.773 -6.122 1.00 32.11 H new ATOM 0 HE3 LYS A 55 -6.074 10.936 -7.429 1.00 32.11 H new ATOM 0 HZ1 LYS A 55 -5.545 8.712 -8.190 1.00 12.44 H new ATOM 0 HZ2 LYS A 55 -4.180 9.713 -8.329 1.00 12.44 H new ATOM 0 HZ3 LYS A 55 -4.281 8.586 -7.063 1.00 12.44 H new ATOM 830 N LYS A 56 -6.159 15.970 -7.230 1.00 33.12 N ATOM 831 CA LYS A 56 -7.281 16.877 -7.443 1.00 62.12 C ATOM 832 C LYS A 56 -6.895 18.005 -8.395 1.00 70.41 C ATOM 833 O LYS A 56 -7.742 18.550 -9.103 1.00 30.11 O ATOM 834 CB LYS A 56 -7.753 17.460 -6.109 1.00 44.23 C ATOM 835 CG LYS A 56 -8.346 16.426 -5.169 1.00 22.52 C ATOM 836 CD LYS A 56 -9.737 16.825 -4.706 1.00 3.43 C ATOM 837 CE LYS A 56 -9.718 18.156 -3.968 1.00 64.53 C ATOM 838 NZ LYS A 56 -11.059 18.508 -3.426 1.00 1.22 N ATOM 0 H LYS A 56 -5.901 15.842 -6.252 1.00 33.12 H new ATOM 0 HA LYS A 56 -8.095 16.309 -7.892 1.00 62.12 H new ATOM 0 HB2 LYS A 56 -6.911 17.946 -5.616 1.00 44.23 H new ATOM 0 HB3 LYS A 56 -8.498 18.232 -6.303 1.00 44.23 H new ATOM 0 HG2 LYS A 56 -8.392 15.460 -5.672 1.00 22.52 H new ATOM 0 HG3 LYS A 56 -7.695 16.304 -4.304 1.00 22.52 H new ATOM 0 HD2 LYS A 56 -10.402 16.894 -5.567 1.00 3.43 H new ATOM 0 HD3 LYS A 56 -10.140 16.051 -4.053 1.00 3.43 H new ATOM 0 HE2 LYS A 56 -8.997 18.108 -3.152 1.00 64.53 H new ATOM 0 HE3 LYS A 56 -9.382 18.942 -4.645 1.00 64.53 H new ATOM 0 HZ1 LYS A 56 -11.005 19.421 -2.931 1.00 1.22 H new ATOM 0 HZ2 LYS A 56 -11.742 18.578 -4.207 1.00 1.22 H new ATOM 0 HZ3 LYS A 56 -11.369 17.771 -2.761 1.00 1.22 H new ATOM 852 N PHE A 57 -5.611 18.349 -8.408 1.00 75.44 N ATOM 853 CA PHE A 57 -5.114 19.411 -9.274 1.00 44.12 C ATOM 854 C PHE A 57 -4.159 18.853 -10.326 1.00 1.42 C ATOM 855 O PHE A 57 -2.946 18.784 -10.125 1.00 72.13 O ATOM 856 CB PHE A 57 -4.406 20.484 -8.445 1.00 1.54 C ATOM 857 CG PHE A 57 -5.330 21.550 -7.929 1.00 35.24 C ATOM 858 CD1 PHE A 57 -5.591 22.684 -8.681 1.00 63.30 C ATOM 859 CD2 PHE A 57 -5.939 21.417 -6.691 1.00 1.52 C ATOM 860 CE1 PHE A 57 -6.441 23.666 -8.209 1.00 73.23 C ATOM 861 CE2 PHE A 57 -6.791 22.396 -6.214 1.00 64.01 C ATOM 862 CZ PHE A 57 -7.041 23.522 -6.974 1.00 12.13 C ATOM 0 H PHE A 57 -4.897 17.908 -7.829 1.00 75.44 H new ATOM 0 HA PHE A 57 -5.967 19.859 -9.784 1.00 44.12 H new ATOM 0 HB2 PHE A 57 -3.906 20.009 -7.601 1.00 1.54 H new ATOM 0 HB3 PHE A 57 -3.631 20.950 -9.054 1.00 1.54 H new ATOM 0 HD1 PHE A 57 -5.124 22.802 -9.648 1.00 63.30 H new ATOM 0 HD2 PHE A 57 -5.746 20.539 -6.092 1.00 1.52 H new ATOM 0 HE1 PHE A 57 -6.636 24.545 -8.805 1.00 73.23 H new ATOM 0 HE2 PHE A 57 -7.260 22.280 -5.248 1.00 64.01 H new ATOM 0 HZ PHE A 57 -7.705 24.289 -6.603 1.00 12.13 H new ATOM 872 N PRO A 58 -4.718 18.445 -11.475 1.00 0.33 N ATOM 873 CA PRO A 58 -3.935 17.886 -12.581 1.00 55.20 C ATOM 874 C PRO A 58 -3.065 18.936 -13.264 1.00 22.34 C ATOM 875 O PRO A 58 -2.260 18.616 -14.137 1.00 24.31 O ATOM 876 CB PRO A 58 -5.005 17.369 -13.546 1.00 71.02 C ATOM 877 CG PRO A 58 -6.210 18.195 -13.254 1.00 71.20 C ATOM 878 CD PRO A 58 -6.157 18.499 -11.782 1.00 71.43 C ATOM 0 HA PRO A 58 -3.240 17.118 -12.241 1.00 55.20 H new ATOM 0 HB2 PRO A 58 -4.690 17.481 -14.583 1.00 71.02 H new ATOM 0 HB3 PRO A 58 -5.203 16.309 -13.386 1.00 71.02 H new ATOM 0 HG2 PRO A 58 -6.206 19.113 -13.842 1.00 71.20 H new ATOM 0 HG3 PRO A 58 -7.123 17.657 -13.509 1.00 71.20 H new ATOM 0 HD2 PRO A 58 -6.579 19.479 -11.558 1.00 71.43 H new ATOM 0 HD3 PRO A 58 -6.720 17.769 -11.200 1.00 71.43 H new ATOM 886 N GLY A 59 -3.232 20.191 -12.859 1.00 1.23 N ATOM 887 CA GLY A 59 -2.454 21.268 -13.442 1.00 2.41 C ATOM 888 C GLY A 59 -1.156 21.515 -12.698 1.00 71.34 C ATOM 889 O GLY A 59 -0.560 22.585 -12.814 1.00 12.20 O ATOM 0 H GLY A 59 -3.892 20.481 -12.138 1.00 1.23 H new ATOM 0 HA2 GLY A 59 -2.233 21.030 -14.483 1.00 2.41 H new ATOM 0 HA3 GLY A 59 -3.048 22.182 -13.443 1.00 2.41 H new ATOM 893 N ALA A 60 -0.718 20.522 -11.931 1.00 63.24 N ATOM 894 CA ALA A 60 0.518 20.636 -11.166 1.00 74.32 C ATOM 895 C ALA A 60 1.184 19.275 -10.994 1.00 0.03 C ATOM 896 O ALA A 60 0.552 18.235 -11.180 1.00 21.15 O ATOM 897 CB ALA A 60 0.242 21.266 -9.809 1.00 53.23 C ATOM 0 H ALA A 60 -1.200 19.630 -11.823 1.00 63.24 H new ATOM 0 HA ALA A 60 1.202 21.279 -11.720 1.00 74.32 H new ATOM 0 HB1 ALA A 60 1.173 21.345 -9.248 1.00 53.23 H new ATOM 0 HB2 ALA A 60 -0.183 22.260 -9.949 1.00 53.23 H new ATOM 0 HB3 ALA A 60 -0.463 20.645 -9.256 1.00 53.23 H new ATOM 903 N VAL A 61 2.465 19.289 -10.638 1.00 12.20 N ATOM 904 CA VAL A 61 3.217 18.056 -10.440 1.00 50.01 C ATOM 905 C VAL A 61 3.218 17.642 -8.973 1.00 10.43 C ATOM 906 O VAL A 61 3.219 16.454 -8.652 1.00 31.24 O ATOM 907 CB VAL A 61 4.673 18.203 -10.922 1.00 14.14 C ATOM 908 CG1 VAL A 61 4.717 18.447 -12.422 1.00 53.04 C ATOM 909 CG2 VAL A 61 5.371 19.326 -10.170 1.00 2.01 C ATOM 0 H VAL A 61 3.003 20.141 -10.481 1.00 12.20 H new ATOM 0 HA VAL A 61 2.722 17.285 -11.031 1.00 50.01 H new ATOM 0 HB VAL A 61 5.202 17.273 -10.714 1.00 14.14 H new ATOM 0 HG11 VAL A 61 5.753 18.548 -12.744 1.00 53.04 H new ATOM 0 HG12 VAL A 61 4.256 17.606 -12.941 1.00 53.04 H new ATOM 0 HG13 VAL A 61 4.173 19.361 -12.658 1.00 53.04 H new ATOM 0 HG21 VAL A 61 6.398 19.416 -10.523 1.00 2.01 H new ATOM 0 HG22 VAL A 61 4.844 20.264 -10.345 1.00 2.01 H new ATOM 0 HG23 VAL A 61 5.372 19.104 -9.103 1.00 2.01 H new ATOM 919 N PHE A 62 3.217 18.631 -8.085 1.00 3.21 N ATOM 920 CA PHE A 62 3.219 18.370 -6.650 1.00 55.42 C ATOM 921 C PHE A 62 4.406 17.496 -6.257 1.00 51.43 C ATOM 922 O PHE A 62 4.999 16.819 -7.099 1.00 15.44 O ATOM 923 CB PHE A 62 1.912 17.693 -6.232 1.00 72.03 C ATOM 924 CG PHE A 62 0.712 18.590 -6.336 1.00 13.23 C ATOM 925 CD1 PHE A 62 0.062 18.763 -7.547 1.00 51.13 C ATOM 926 CD2 PHE A 62 0.233 19.260 -5.221 1.00 50.25 C ATOM 927 CE1 PHE A 62 -1.042 19.589 -7.645 1.00 71.22 C ATOM 928 CE2 PHE A 62 -0.871 20.087 -5.313 1.00 60.12 C ATOM 929 CZ PHE A 62 -1.510 20.251 -6.527 1.00 21.54 C ATOM 0 H PHE A 62 3.215 19.620 -8.334 1.00 3.21 H new ATOM 0 HA PHE A 62 3.307 19.325 -6.133 1.00 55.42 H new ATOM 0 HB2 PHE A 62 1.753 16.813 -6.855 1.00 72.03 H new ATOM 0 HB3 PHE A 62 2.006 17.343 -5.204 1.00 72.03 H new ATOM 0 HD1 PHE A 62 0.422 18.247 -8.425 1.00 51.13 H new ATOM 0 HD2 PHE A 62 0.728 19.134 -4.269 1.00 50.25 H new ATOM 0 HE1 PHE A 62 -1.538 19.717 -8.596 1.00 71.22 H new ATOM 0 HE2 PHE A 62 -1.234 20.604 -4.437 1.00 60.12 H new ATOM 0 HZ PHE A 62 -2.373 20.895 -6.601 1.00 21.54 H new ATOM 939 N LEU A 63 4.749 17.517 -4.974 1.00 35.40 N ATOM 940 CA LEU A 63 5.866 16.727 -4.468 1.00 33.32 C ATOM 941 C LEU A 63 6.344 17.260 -3.121 1.00 51.32 C ATOM 942 O LEU A 63 6.242 18.455 -2.843 1.00 11.32 O ATOM 943 CB LEU A 63 7.019 16.737 -5.472 1.00 65.21 C ATOM 944 CG LEU A 63 8.423 16.591 -4.883 1.00 41.43 C ATOM 945 CD1 LEU A 63 9.025 15.248 -5.265 1.00 4.04 C ATOM 946 CD2 LEU A 63 9.318 17.731 -5.350 1.00 33.33 C ATOM 0 H LEU A 63 4.270 18.072 -4.265 1.00 35.40 H new ATOM 0 HA LEU A 63 5.521 15.702 -4.330 1.00 33.32 H new ATOM 0 HB2 LEU A 63 6.860 15.928 -6.186 1.00 65.21 H new ATOM 0 HB3 LEU A 63 6.977 17.670 -6.033 1.00 65.21 H new ATOM 0 HG LEU A 63 8.347 16.636 -3.797 1.00 41.43 H new ATOM 0 HD11 LEU A 63 10.024 15.162 -4.837 1.00 4.04 H new ATOM 0 HD12 LEU A 63 8.396 14.445 -4.882 1.00 4.04 H new ATOM 0 HD13 LEU A 63 9.088 15.173 -6.351 1.00 4.04 H new ATOM 0 HD21 LEU A 63 10.313 17.611 -4.921 1.00 33.33 H new ATOM 0 HD22 LEU A 63 9.387 17.717 -6.438 1.00 33.33 H new ATOM 0 HD23 LEU A 63 8.895 18.682 -5.026 1.00 33.33 H new ATOM 958 N LYS A 64 6.868 16.367 -2.289 1.00 62.11 N ATOM 959 CA LYS A 64 7.366 16.747 -0.973 1.00 23.15 C ATOM 960 C LYS A 64 8.858 16.455 -0.850 1.00 64.50 C ATOM 961 O LYS A 64 9.317 15.363 -1.188 1.00 41.32 O ATOM 962 CB LYS A 64 6.598 16.001 0.121 1.00 62.11 C ATOM 963 CG LYS A 64 7.476 15.104 0.977 1.00 13.41 C ATOM 964 CD LYS A 64 6.645 14.220 1.892 1.00 0.42 C ATOM 965 CE LYS A 64 5.470 13.600 1.152 1.00 50.21 C ATOM 966 NZ LYS A 64 5.051 12.308 1.761 1.00 73.42 N ATOM 0 H LYS A 64 6.959 15.374 -2.503 1.00 62.11 H new ATOM 0 HA LYS A 64 7.212 17.819 -0.850 1.00 23.15 H new ATOM 0 HB2 LYS A 64 6.100 16.727 0.763 1.00 62.11 H new ATOM 0 HB3 LYS A 64 5.818 15.397 -0.342 1.00 62.11 H new ATOM 0 HG2 LYS A 64 8.098 14.481 0.334 1.00 13.41 H new ATOM 0 HG3 LYS A 64 8.150 15.717 1.575 1.00 13.41 H new ATOM 0 HD2 LYS A 64 7.273 13.431 2.306 1.00 0.42 H new ATOM 0 HD3 LYS A 64 6.277 14.809 2.733 1.00 0.42 H new ATOM 0 HE2 LYS A 64 4.630 14.294 1.159 1.00 50.21 H new ATOM 0 HE3 LYS A 64 5.742 13.439 0.109 1.00 50.21 H new ATOM 0 HZ1 LYS A 64 4.259 11.909 1.218 1.00 73.42 H new ATOM 0 HZ2 LYS A 64 5.850 11.643 1.747 1.00 73.42 H new ATOM 0 HZ3 LYS A 64 4.751 12.469 2.744 1.00 73.42 H new ATOM 980 N VAL A 65 9.611 17.436 -0.363 1.00 21.11 N ATOM 981 CA VAL A 65 11.051 17.283 -0.193 1.00 61.42 C ATOM 982 C VAL A 65 11.452 17.440 1.269 1.00 10.32 C ATOM 983 O VAL A 65 10.808 18.169 2.025 1.00 64.41 O ATOM 984 CB VAL A 65 11.828 18.307 -1.041 1.00 3.44 C ATOM 985 CG1 VAL A 65 11.263 19.705 -0.840 1.00 11.13 C ATOM 986 CG2 VAL A 65 13.310 18.268 -0.697 1.00 13.10 C ATOM 0 H VAL A 65 9.247 18.346 -0.079 1.00 21.11 H new ATOM 0 HA VAL A 65 11.304 16.278 -0.529 1.00 61.42 H new ATOM 0 HB VAL A 65 11.715 18.043 -2.092 1.00 3.44 H new ATOM 0 HG11 VAL A 65 11.825 20.415 -1.447 1.00 11.13 H new ATOM 0 HG12 VAL A 65 10.215 19.720 -1.140 1.00 11.13 H new ATOM 0 HG13 VAL A 65 11.344 19.983 0.211 1.00 11.13 H new ATOM 0 HG21 VAL A 65 13.844 18.998 -1.305 1.00 13.10 H new ATOM 0 HG22 VAL A 65 13.445 18.507 0.358 1.00 13.10 H new ATOM 0 HG23 VAL A 65 13.704 17.271 -0.897 1.00 13.10 H new ATOM 996 N ASP A 66 12.519 16.754 1.662 1.00 63.45 N ATOM 997 CA ASP A 66 13.008 16.818 3.034 1.00 41.30 C ATOM 998 C ASP A 66 14.225 17.733 3.135 1.00 70.31 C ATOM 999 O ASP A 66 15.246 17.499 2.488 1.00 31.40 O ATOM 1000 CB ASP A 66 13.363 15.419 3.538 1.00 62.40 C ATOM 1001 CG ASP A 66 13.261 15.303 5.046 1.00 10.22 C ATOM 1002 OD1 ASP A 66 12.362 15.943 5.631 1.00 34.20 O ATOM 1003 OD2 ASP A 66 14.080 14.573 5.642 1.00 71.54 O ATOM 0 H ASP A 66 13.063 16.146 1.049 1.00 63.45 H new ATOM 0 HA ASP A 66 12.214 17.229 3.657 1.00 41.30 H new ATOM 0 HB2 ASP A 66 12.698 14.690 3.075 1.00 62.40 H new ATOM 0 HB3 ASP A 66 14.377 15.170 3.225 1.00 62.40 H new ATOM 1008 N VAL A 67 14.109 18.776 3.950 1.00 12.30 N ATOM 1009 CA VAL A 67 15.199 19.726 4.136 1.00 40.41 C ATOM 1010 C VAL A 67 16.136 19.276 5.251 1.00 1.30 C ATOM 1011 O VAL A 67 16.636 20.094 6.024 1.00 40.13 O ATOM 1012 CB VAL A 67 14.667 21.134 4.464 1.00 0.02 C ATOM 1013 CG1 VAL A 67 13.675 21.591 3.405 1.00 30.54 C ATOM 1014 CG2 VAL A 67 14.031 21.154 5.846 1.00 23.11 C ATOM 0 H VAL A 67 13.271 18.985 4.492 1.00 12.30 H new ATOM 0 HA VAL A 67 15.750 19.764 3.196 1.00 40.41 H new ATOM 0 HB VAL A 67 15.506 21.829 4.465 1.00 0.02 H new ATOM 0 HG11 VAL A 67 13.310 22.588 3.654 1.00 30.54 H new ATOM 0 HG12 VAL A 67 14.167 21.617 2.433 1.00 30.54 H new ATOM 0 HG13 VAL A 67 12.836 20.896 3.368 1.00 30.54 H new ATOM 0 HG21 VAL A 67 13.661 22.156 6.062 1.00 23.11 H new ATOM 0 HG22 VAL A 67 13.202 20.447 5.875 1.00 23.11 H new ATOM 0 HG23 VAL A 67 14.774 20.874 6.593 1.00 23.11 H new ATOM 1024 N ASP A 68 16.370 17.971 5.328 1.00 22.05 N ATOM 1025 CA ASP A 68 17.249 17.411 6.349 1.00 42.04 C ATOM 1026 C ASP A 68 18.263 16.456 5.727 1.00 25.12 C ATOM 1027 O ASP A 68 19.335 16.224 6.286 1.00 12.33 O ATOM 1028 CB ASP A 68 16.429 16.682 7.414 1.00 24.31 C ATOM 1029 CG ASP A 68 17.262 16.294 8.620 1.00 11.14 C ATOM 1030 OD1 ASP A 68 17.443 17.146 9.515 1.00 0.43 O ATOM 1031 OD2 ASP A 68 17.732 15.138 8.670 1.00 54.31 O ATOM 0 H ASP A 68 15.964 17.281 4.696 1.00 22.05 H new ATOM 0 HA ASP A 68 17.790 18.232 6.819 1.00 42.04 H new ATOM 0 HB2 ASP A 68 15.606 17.320 7.735 1.00 24.31 H new ATOM 0 HB3 ASP A 68 15.987 15.786 6.978 1.00 24.31 H new ATOM 1036 N GLU A 69 17.917 15.904 4.568 1.00 13.25 N ATOM 1037 CA GLU A 69 18.797 14.973 3.873 1.00 72.40 C ATOM 1038 C GLU A 69 19.279 15.563 2.551 1.00 1.42 C ATOM 1039 O GLU A 69 20.413 15.331 2.131 1.00 24.12 O ATOM 1040 CB GLU A 69 18.075 13.648 3.619 1.00 61.52 C ATOM 1041 CG GLU A 69 16.919 13.762 2.640 1.00 51.34 C ATOM 1042 CD GLU A 69 17.285 13.288 1.247 1.00 71.23 C ATOM 1043 OE1 GLU A 69 18.321 12.606 1.105 1.00 45.34 O ATOM 1044 OE2 GLU A 69 16.534 13.598 0.298 1.00 14.35 O ATOM 0 H GLU A 69 17.034 16.086 4.091 1.00 13.25 H new ATOM 0 HA GLU A 69 19.664 14.791 4.507 1.00 72.40 H new ATOM 0 HB2 GLU A 69 18.792 12.921 3.238 1.00 61.52 H new ATOM 0 HB3 GLU A 69 17.701 13.261 4.567 1.00 61.52 H new ATOM 0 HG2 GLU A 69 16.076 13.177 3.009 1.00 51.34 H new ATOM 0 HG3 GLU A 69 16.590 14.800 2.592 1.00 51.34 H new ATOM 1051 N LEU A 70 18.410 16.328 1.900 1.00 52.02 N ATOM 1052 CA LEU A 70 18.745 16.953 0.625 1.00 64.31 C ATOM 1053 C LEU A 70 18.514 18.459 0.679 1.00 2.42 C ATOM 1054 O LEU A 70 18.262 19.097 -0.343 1.00 44.33 O ATOM 1055 CB LEU A 70 17.913 16.338 -0.502 1.00 31.35 C ATOM 1056 CG LEU A 70 16.490 16.876 -0.655 1.00 71.31 C ATOM 1057 CD1 LEU A 70 16.011 16.717 -2.090 1.00 3.41 C ATOM 1058 CD2 LEU A 70 15.546 16.168 0.305 1.00 35.44 C ATOM 0 H LEU A 70 17.468 16.531 2.234 1.00 52.02 H new ATOM 0 HA LEU A 70 19.802 16.773 0.428 1.00 64.31 H new ATOM 0 HB2 LEU A 70 18.442 16.492 -1.443 1.00 31.35 H new ATOM 0 HB3 LEU A 70 17.858 15.261 -0.340 1.00 31.35 H new ATOM 0 HG LEU A 70 16.496 17.938 -0.410 1.00 71.31 H new ATOM 0 HD11 LEU A 70 14.996 17.105 -2.180 1.00 3.41 H new ATOM 0 HD12 LEU A 70 16.672 17.270 -2.758 1.00 3.41 H new ATOM 0 HD13 LEU A 70 16.021 15.662 -2.362 1.00 3.41 H new ATOM 0 HD21 LEU A 70 14.538 16.564 0.182 1.00 35.44 H new ATOM 0 HD22 LEU A 70 15.545 15.099 0.092 1.00 35.44 H new ATOM 0 HD23 LEU A 70 15.878 16.333 1.330 1.00 35.44 H new ATOM 1070 N LYS A 71 18.603 19.024 1.879 1.00 65.51 N ATOM 1071 CA LYS A 71 18.408 20.456 2.068 1.00 52.03 C ATOM 1072 C LYS A 71 18.871 21.235 0.841 1.00 60.13 C ATOM 1073 O LYS A 71 18.333 22.297 0.530 1.00 70.24 O ATOM 1074 CB LYS A 71 19.167 20.936 3.306 1.00 3.45 C ATOM 1075 CG LYS A 71 20.197 19.941 3.813 1.00 50.25 C ATOM 1076 CD LYS A 71 21.492 20.631 4.208 1.00 13.05 C ATOM 1077 CE LYS A 71 22.426 20.787 3.019 1.00 43.43 C ATOM 1078 NZ LYS A 71 23.829 20.425 3.364 1.00 72.23 N ATOM 0 H LYS A 71 18.809 18.511 2.736 1.00 65.51 H new ATOM 0 HA LYS A 71 17.342 20.636 2.210 1.00 52.03 H new ATOM 0 HB2 LYS A 71 19.667 21.876 3.073 1.00 3.45 H new ATOM 0 HB3 LYS A 71 18.452 21.143 4.102 1.00 3.45 H new ATOM 0 HG2 LYS A 71 19.793 19.404 4.671 1.00 50.25 H new ATOM 0 HG3 LYS A 71 20.400 19.200 3.040 1.00 50.25 H new ATOM 0 HD2 LYS A 71 21.269 21.612 4.628 1.00 13.05 H new ATOM 0 HD3 LYS A 71 21.989 20.055 4.989 1.00 13.05 H new ATOM 0 HE2 LYS A 71 22.079 20.157 2.200 1.00 43.43 H new ATOM 0 HE3 LYS A 71 22.394 21.817 2.664 1.00 43.43 H new ATOM 0 HZ1 LYS A 71 24.434 20.545 2.527 1.00 72.23 H new ATOM 0 HZ2 LYS A 71 24.169 21.043 4.128 1.00 72.23 H new ATOM 0 HZ3 LYS A 71 23.865 19.434 3.678 1.00 72.23 H new ATOM 1092 N GLU A 72 19.871 20.699 0.148 1.00 73.34 N ATOM 1093 CA GLU A 72 20.405 21.345 -1.046 1.00 34.42 C ATOM 1094 C GLU A 72 19.285 21.973 -1.871 1.00 64.12 C ATOM 1095 O GLU A 72 19.511 22.921 -2.623 1.00 53.05 O ATOM 1096 CB GLU A 72 21.176 20.334 -1.898 1.00 10.43 C ATOM 1097 CG GLU A 72 20.281 19.385 -2.676 1.00 34.35 C ATOM 1098 CD GLU A 72 21.066 18.435 -3.559 1.00 33.41 C ATOM 1099 OE1 GLU A 72 21.694 18.908 -4.529 1.00 75.40 O ATOM 1100 OE2 GLU A 72 21.052 17.217 -3.279 1.00 40.42 O ATOM 0 H GLU A 72 20.327 19.820 0.392 1.00 73.34 H new ATOM 0 HA GLU A 72 21.085 22.135 -0.728 1.00 34.42 H new ATOM 0 HB2 GLU A 72 21.814 20.873 -2.598 1.00 10.43 H new ATOM 0 HB3 GLU A 72 21.833 19.752 -1.251 1.00 10.43 H new ATOM 0 HG2 GLU A 72 19.675 18.808 -1.977 1.00 34.35 H new ATOM 0 HG3 GLU A 72 19.593 19.964 -3.293 1.00 34.35 H new ATOM 1107 N VAL A 73 18.078 21.437 -1.725 1.00 72.11 N ATOM 1108 CA VAL A 73 16.923 21.944 -2.456 1.00 14.31 C ATOM 1109 C VAL A 73 16.258 23.092 -1.704 1.00 52.14 C ATOM 1110 O VAL A 73 15.777 24.049 -2.311 1.00 64.11 O ATOM 1111 CB VAL A 73 15.882 20.835 -2.701 1.00 44.24 C ATOM 1112 CG1 VAL A 73 14.798 21.321 -3.651 1.00 33.04 C ATOM 1113 CG2 VAL A 73 16.556 19.584 -3.244 1.00 43.13 C ATOM 0 H VAL A 73 17.874 20.652 -1.107 1.00 72.11 H new ATOM 0 HA VAL A 73 17.290 22.306 -3.416 1.00 14.31 H new ATOM 0 HB VAL A 73 15.412 20.584 -1.750 1.00 44.24 H new ATOM 0 HG11 VAL A 73 14.072 20.524 -3.812 1.00 33.04 H new ATOM 0 HG12 VAL A 73 14.297 22.187 -3.219 1.00 33.04 H new ATOM 0 HG13 VAL A 73 15.248 21.600 -4.604 1.00 33.04 H new ATOM 0 HG21 VAL A 73 15.807 18.810 -3.411 1.00 43.13 H new ATOM 0 HG22 VAL A 73 17.053 19.818 -4.186 1.00 43.13 H new ATOM 0 HG23 VAL A 73 17.292 19.226 -2.524 1.00 43.13 H new ATOM 1123 N ALA A 74 16.234 22.990 -0.380 1.00 24.25 N ATOM 1124 CA ALA A 74 15.631 24.021 0.456 1.00 72.43 C ATOM 1125 C ALA A 74 16.516 25.260 0.523 1.00 1.45 C ATOM 1126 O ALA A 74 16.092 26.311 1.005 1.00 64.43 O ATOM 1127 CB ALA A 74 15.368 23.480 1.854 1.00 51.44 C ATOM 0 H ALA A 74 16.625 22.203 0.138 1.00 24.25 H new ATOM 0 HA ALA A 74 14.681 24.310 0.006 1.00 72.43 H new ATOM 0 HB1 ALA A 74 14.918 24.260 2.467 1.00 51.44 H new ATOM 0 HB2 ALA A 74 14.689 22.629 1.793 1.00 51.44 H new ATOM 0 HB3 ALA A 74 16.309 23.162 2.304 1.00 51.44 H new ATOM 1133 N GLU A 75 17.747 25.130 0.039 1.00 3.00 N ATOM 1134 CA GLU A 75 18.692 26.241 0.047 1.00 61.31 C ATOM 1135 C GLU A 75 18.608 27.036 -1.253 1.00 14.13 C ATOM 1136 O GLU A 75 19.023 28.194 -1.314 1.00 73.41 O ATOM 1137 CB GLU A 75 20.118 25.725 0.250 1.00 22.21 C ATOM 1138 CG GLU A 75 20.267 24.803 1.449 1.00 71.13 C ATOM 1139 CD GLU A 75 21.323 25.282 2.426 1.00 15.40 C ATOM 1140 OE1 GLU A 75 22.516 24.995 2.199 1.00 43.41 O ATOM 1141 OE2 GLU A 75 20.954 25.945 3.418 1.00 10.33 O ATOM 0 H GLU A 75 18.113 24.267 -0.363 1.00 3.00 H new ATOM 0 HA GLU A 75 18.430 26.901 0.874 1.00 61.31 H new ATOM 0 HB2 GLU A 75 20.434 25.194 -0.648 1.00 22.21 H new ATOM 0 HB3 GLU A 75 20.789 26.575 0.370 1.00 22.21 H new ATOM 0 HG2 GLU A 75 19.309 24.725 1.964 1.00 71.13 H new ATOM 0 HG3 GLU A 75 20.525 23.802 1.103 1.00 71.13 H new ATOM 1148 N LYS A 76 18.067 26.406 -2.291 1.00 4.54 N ATOM 1149 CA LYS A 76 17.927 27.053 -3.590 1.00 13.22 C ATOM 1150 C LYS A 76 16.695 27.952 -3.619 1.00 52.25 C ATOM 1151 O LYS A 76 16.652 28.938 -4.356 1.00 14.23 O ATOM 1152 CB LYS A 76 17.831 26.002 -4.698 1.00 50.20 C ATOM 1153 CG LYS A 76 16.702 25.007 -4.496 1.00 74.24 C ATOM 1154 CD LYS A 76 16.065 24.611 -5.818 1.00 33.31 C ATOM 1155 CE LYS A 76 16.846 23.500 -6.503 1.00 24.05 C ATOM 1156 NZ LYS A 76 17.939 24.038 -7.359 1.00 62.34 N ATOM 0 H LYS A 76 17.718 25.448 -2.257 1.00 4.54 H new ATOM 0 HA LYS A 76 18.810 27.670 -3.759 1.00 13.22 H new ATOM 0 HB2 LYS A 76 17.693 26.506 -5.654 1.00 50.20 H new ATOM 0 HB3 LYS A 76 18.775 25.461 -4.756 1.00 50.20 H new ATOM 0 HG2 LYS A 76 17.085 24.118 -3.995 1.00 74.24 H new ATOM 0 HG3 LYS A 76 15.946 25.441 -3.842 1.00 74.24 H new ATOM 0 HD2 LYS A 76 15.040 24.283 -5.645 1.00 33.31 H new ATOM 0 HD3 LYS A 76 16.016 25.480 -6.474 1.00 33.31 H new ATOM 0 HE2 LYS A 76 17.268 22.835 -5.750 1.00 24.05 H new ATOM 0 HE3 LYS A 76 16.168 22.902 -7.112 1.00 24.05 H new ATOM 0 HZ1 LYS A 76 17.797 23.725 -8.341 1.00 62.34 H new ATOM 0 HZ2 LYS A 76 17.929 25.077 -7.322 1.00 62.34 H new ATOM 0 HZ3 LYS A 76 18.855 23.688 -7.013 1.00 62.34 H new ATOM 1170 N TYR A 77 15.697 27.607 -2.814 1.00 75.43 N ATOM 1171 CA TYR A 77 14.464 28.382 -2.749 1.00 55.23 C ATOM 1172 C TYR A 77 14.470 29.315 -1.542 1.00 51.55 C ATOM 1173 O TYR A 77 13.661 30.238 -1.453 1.00 71.10 O ATOM 1174 CB TYR A 77 13.253 27.450 -2.681 1.00 31.23 C ATOM 1175 CG TYR A 77 13.102 26.563 -3.896 1.00 20.22 C ATOM 1176 CD1 TYR A 77 13.710 26.892 -5.101 1.00 15.50 C ATOM 1177 CD2 TYR A 77 12.353 25.394 -3.838 1.00 55.12 C ATOM 1178 CE1 TYR A 77 13.574 26.085 -6.214 1.00 14.32 C ATOM 1179 CE2 TYR A 77 12.212 24.580 -4.946 1.00 4.14 C ATOM 1180 CZ TYR A 77 12.824 24.930 -6.131 1.00 43.21 C ATOM 1181 OH TYR A 77 12.688 24.123 -7.237 1.00 33.21 O ATOM 0 H TYR A 77 15.718 26.795 -2.197 1.00 75.43 H new ATOM 0 HA TYR A 77 14.398 28.987 -3.653 1.00 55.23 H new ATOM 0 HB2 TYR A 77 13.337 26.824 -1.793 1.00 31.23 H new ATOM 0 HB3 TYR A 77 12.350 28.049 -2.565 1.00 31.23 H new ATOM 0 HD1 TYR A 77 14.299 27.794 -5.169 1.00 15.50 H new ATOM 0 HD2 TYR A 77 11.873 25.117 -2.911 1.00 55.12 H new ATOM 0 HE1 TYR A 77 14.052 26.357 -7.144 1.00 14.32 H new ATOM 0 HE2 TYR A 77 11.626 23.675 -4.884 1.00 4.14 H new ATOM 0 HH TYR A 77 12.283 23.271 -6.972 1.00 33.21 H new ATOM 1191 N ASN A 78 15.390 29.068 -0.616 1.00 62.21 N ATOM 1192 CA ASN A 78 15.504 29.885 0.586 1.00 14.34 C ATOM 1193 C ASN A 78 14.278 29.714 1.478 1.00 32.54 C ATOM 1194 O ASN A 78 13.478 30.636 1.638 1.00 44.12 O ATOM 1195 CB ASN A 78 15.673 31.359 0.212 1.00 5.12 C ATOM 1196 CG ASN A 78 15.832 32.250 1.429 1.00 24.11 C ATOM 1197 OD1 ASN A 78 16.586 31.776 2.415 1.00 22.10 O flip ATOM 1198 ND2 ASN A 78 15.284 33.351 1.482 1.00 50.24 N flip ATOM 0 H ASN A 78 16.068 28.308 -0.675 1.00 62.21 H new ATOM 0 HA ASN A 78 16.383 29.553 1.138 1.00 14.34 H new ATOM 0 HB2 ASN A 78 16.545 31.470 -0.432 1.00 5.12 H new ATOM 0 HB3 ASN A 78 14.807 31.686 -0.364 1.00 5.12 H new ATOM 0 HD21 ASN A 78 14.714 33.675 0.701 1.00 50.24 H new ATOM 0 HD22 ASN A 78 15.400 33.939 2.307 1.00 50.24 H new ATOM 1246 N MET A 82 10.941 24.212 7.293 1.00 41.22 N ATOM 1247 CA MET A 82 9.539 23.888 7.526 1.00 75.22 C ATOM 1248 C MET A 82 8.911 23.265 6.283 1.00 72.11 C ATOM 1249 O MET A 82 9.522 23.198 5.216 1.00 4.24 O ATOM 1250 CB MET A 82 8.763 25.143 7.929 1.00 54.34 C ATOM 1251 CG MET A 82 9.639 26.375 8.086 1.00 42.24 C ATOM 1252 SD MET A 82 9.231 27.673 6.903 1.00 41.43 S ATOM 1253 CE MET A 82 10.214 27.168 5.493 1.00 4.53 C ATOM 0 HA MET A 82 9.490 23.163 8.339 1.00 75.22 H new ATOM 0 HB2 MET A 82 7.999 25.344 7.179 1.00 54.34 H new ATOM 0 HB3 MET A 82 8.245 24.954 8.869 1.00 54.34 H new ATOM 0 HG2 MET A 82 9.533 26.765 9.098 1.00 42.24 H new ATOM 0 HG3 MET A 82 10.684 26.091 7.962 1.00 42.24 H new ATOM 0 HE1 MET A 82 10.110 27.903 4.695 1.00 4.53 H new ATOM 0 HE2 MET A 82 11.261 27.097 5.786 1.00 4.53 H new ATOM 0 HE3 MET A 82 9.870 26.196 5.139 1.00 4.53 H new ATOM 1263 N PRO A 83 7.661 22.797 6.421 1.00 43.22 N ATOM 1264 CA PRO A 83 6.924 22.172 5.319 1.00 61.31 C ATOM 1265 C PRO A 83 6.534 23.175 4.239 1.00 0.20 C ATOM 1266 O PRO A 83 5.632 22.924 3.439 1.00 21.31 O ATOM 1267 CB PRO A 83 5.675 21.609 6.002 1.00 22.11 C ATOM 1268 CG PRO A 83 5.490 22.458 7.212 1.00 40.30 C ATOM 1269 CD PRO A 83 6.872 22.844 7.663 1.00 72.51 C ATOM 0 HA PRO A 83 7.522 21.419 4.805 1.00 61.31 H new ATOM 0 HB2 PRO A 83 4.807 21.661 5.345 1.00 22.11 H new ATOM 0 HB3 PRO A 83 5.809 20.561 6.270 1.00 22.11 H new ATOM 0 HG2 PRO A 83 4.894 23.341 6.982 1.00 40.30 H new ATOM 0 HG3 PRO A 83 4.962 21.913 7.994 1.00 40.30 H new ATOM 0 HD2 PRO A 83 6.886 23.838 8.111 1.00 72.51 H new ATOM 0 HD3 PRO A 83 7.259 22.152 8.411 1.00 72.51 H new ATOM 1277 N THR A 84 7.219 24.314 4.221 1.00 44.34 N ATOM 1278 CA THR A 84 6.944 25.356 3.239 1.00 1.03 C ATOM 1279 C THR A 84 6.597 24.755 1.882 1.00 10.11 C ATOM 1280 O THR A 84 7.373 23.984 1.317 1.00 75.12 O ATOM 1281 CB THR A 84 8.146 26.305 3.076 1.00 41.35 C ATOM 1282 OG1 THR A 84 8.026 27.409 3.980 1.00 74.02 O ATOM 1283 CG2 THR A 84 8.238 26.821 1.647 1.00 34.03 C ATOM 0 H THR A 84 7.968 24.539 4.875 1.00 44.34 H new ATOM 0 HA THR A 84 6.091 25.923 3.610 1.00 1.03 H new ATOM 0 HB THR A 84 9.054 25.747 3.304 1.00 41.35 H new ATOM 0 HG1 THR A 84 8.157 28.248 3.491 1.00 74.02 H new ATOM 0 HG21 THR A 84 9.094 27.489 1.556 1.00 34.03 H new ATOM 0 HG22 THR A 84 8.359 25.980 0.964 1.00 34.03 H new ATOM 0 HG23 THR A 84 7.326 27.363 1.397 1.00 34.03 H new ATOM 1291 N PHE A 85 5.427 25.113 1.363 1.00 2.33 N ATOM 1292 CA PHE A 85 4.977 24.609 0.071 1.00 22.32 C ATOM 1293 C PHE A 85 5.502 25.481 -1.066 1.00 35.22 C ATOM 1294 O PHE A 85 4.728 26.117 -1.783 1.00 61.45 O ATOM 1295 CB PHE A 85 3.449 24.555 0.025 1.00 53.31 C ATOM 1296 CG PHE A 85 2.898 23.158 0.001 1.00 2.04 C ATOM 1297 CD1 PHE A 85 3.148 22.319 -1.073 1.00 14.12 C ATOM 1298 CD2 PHE A 85 2.132 22.683 1.054 1.00 51.35 C ATOM 1299 CE1 PHE A 85 2.641 21.033 -1.097 1.00 45.32 C ATOM 1300 CE2 PHE A 85 1.623 21.398 1.035 1.00 44.11 C ATOM 1301 CZ PHE A 85 1.880 20.572 -0.042 1.00 35.24 C ATOM 0 H PHE A 85 4.773 25.750 1.818 1.00 2.33 H new ATOM 0 HA PHE A 85 5.373 23.601 -0.056 1.00 22.32 H new ATOM 0 HB2 PHE A 85 3.049 25.080 0.893 1.00 53.31 H new ATOM 0 HB3 PHE A 85 3.101 25.089 -0.859 1.00 53.31 H new ATOM 0 HD1 PHE A 85 3.745 22.673 -1.900 1.00 14.12 H new ATOM 0 HD2 PHE A 85 1.930 23.324 1.899 1.00 51.35 H new ATOM 0 HE1 PHE A 85 2.840 20.389 -1.941 1.00 45.32 H new ATOM 0 HE2 PHE A 85 1.026 21.040 1.861 1.00 44.11 H new ATOM 0 HZ PHE A 85 1.486 19.567 -0.058 1.00 35.24 H new ATOM 1311 N LEU A 86 6.820 25.506 -1.224 1.00 2.53 N ATOM 1312 CA LEU A 86 7.450 26.301 -2.273 1.00 31.30 C ATOM 1313 C LEU A 86 6.821 26.005 -3.631 1.00 1.41 C ATOM 1314 O LEU A 86 6.422 24.874 -3.909 1.00 52.52 O ATOM 1315 CB LEU A 86 8.952 26.018 -2.322 1.00 4.14 C ATOM 1316 CG LEU A 86 9.858 27.235 -2.514 1.00 24.14 C ATOM 1317 CD1 LEU A 86 9.198 28.252 -3.431 1.00 2.40 C ATOM 1318 CD2 LEU A 86 10.197 27.865 -1.171 1.00 15.25 C ATOM 0 H LEU A 86 7.474 24.985 -0.639 1.00 2.53 H new ATOM 0 HA LEU A 86 7.292 27.354 -2.041 1.00 31.30 H new ATOM 0 HB2 LEU A 86 9.238 25.520 -1.396 1.00 4.14 H new ATOM 0 HB3 LEU A 86 9.143 25.316 -3.134 1.00 4.14 H new ATOM 0 HG LEU A 86 10.785 26.904 -2.981 1.00 24.14 H new ATOM 0 HD11 LEU A 86 9.857 29.111 -3.556 1.00 2.40 H new ATOM 0 HD12 LEU A 86 9.008 27.796 -4.403 1.00 2.40 H new ATOM 0 HD13 LEU A 86 8.255 28.579 -2.993 1.00 2.40 H new ATOM 0 HD21 LEU A 86 10.842 28.729 -1.327 1.00 15.25 H new ATOM 0 HD22 LEU A 86 9.279 28.182 -0.676 1.00 15.25 H new ATOM 0 HD23 LEU A 86 10.713 27.135 -0.547 1.00 15.25 H new ATOM 1330 N PHE A 87 6.738 27.029 -4.474 1.00 1.30 N ATOM 1331 CA PHE A 87 6.159 26.879 -5.804 1.00 41.50 C ATOM 1332 C PHE A 87 7.150 27.313 -6.880 1.00 61.34 C ATOM 1333 O PHE A 87 7.804 28.349 -6.756 1.00 62.50 O ATOM 1334 CB PHE A 87 4.873 27.700 -5.919 1.00 11.21 C ATOM 1335 CG PHE A 87 3.719 27.116 -5.156 1.00 32.23 C ATOM 1336 CD1 PHE A 87 3.669 27.205 -3.774 1.00 14.31 C ATOM 1337 CD2 PHE A 87 2.684 26.478 -5.820 1.00 71.40 C ATOM 1338 CE1 PHE A 87 2.608 26.668 -3.069 1.00 61.33 C ATOM 1339 CE2 PHE A 87 1.620 25.938 -5.121 1.00 5.43 C ATOM 1340 CZ PHE A 87 1.582 26.035 -3.744 1.00 22.45 C ATOM 0 H PHE A 87 7.064 27.971 -4.260 1.00 1.30 H new ATOM 0 HA PHE A 87 5.924 25.825 -5.954 1.00 41.50 H new ATOM 0 HB2 PHE A 87 5.063 28.711 -5.557 1.00 11.21 H new ATOM 0 HB3 PHE A 87 4.598 27.784 -6.970 1.00 11.21 H new ATOM 0 HD1 PHE A 87 4.468 27.700 -3.242 1.00 14.31 H new ATOM 0 HD2 PHE A 87 2.708 26.401 -6.897 1.00 71.40 H new ATOM 0 HE1 PHE A 87 2.581 26.743 -1.992 1.00 61.33 H new ATOM 0 HE2 PHE A 87 0.821 25.442 -5.651 1.00 5.43 H new ATOM 0 HZ PHE A 87 0.751 25.617 -3.195 1.00 22.45 H new ATOM 1350 N ILE A 88 7.255 26.512 -7.936 1.00 3.32 N ATOM 1351 CA ILE A 88 8.165 26.813 -9.034 1.00 24.40 C ATOM 1352 C ILE A 88 7.414 26.922 -10.356 1.00 40.34 C ATOM 1353 O ILE A 88 7.460 26.014 -11.187 1.00 13.34 O ATOM 1354 CB ILE A 88 9.261 25.739 -9.167 1.00 23.33 C ATOM 1355 CG1 ILE A 88 9.785 25.340 -7.785 1.00 70.24 C ATOM 1356 CG2 ILE A 88 10.397 26.246 -10.043 1.00 74.14 C ATOM 1357 CD1 ILE A 88 10.621 26.413 -7.123 1.00 72.42 C ATOM 0 H ILE A 88 6.721 25.651 -8.054 1.00 3.32 H new ATOM 0 HA ILE A 88 8.632 27.771 -8.804 1.00 24.40 H new ATOM 0 HB ILE A 88 8.829 24.857 -9.640 1.00 23.33 H new ATOM 0 HG12 ILE A 88 8.940 25.100 -7.140 1.00 70.24 H new ATOM 0 HG13 ILE A 88 10.382 24.433 -7.880 1.00 70.24 H new ATOM 0 HG21 ILE A 88 11.163 25.475 -10.127 1.00 74.14 H new ATOM 0 HG22 ILE A 88 10.013 26.485 -11.035 1.00 74.14 H new ATOM 0 HG23 ILE A 88 10.830 27.141 -9.596 1.00 74.14 H new ATOM 0 HD11 ILE A 88 10.958 26.062 -6.148 1.00 72.42 H new ATOM 0 HD12 ILE A 88 11.486 26.637 -7.747 1.00 72.42 H new ATOM 0 HD13 ILE A 88 10.022 27.315 -6.996 1.00 72.42 H new ATOM 1369 N LYS A 89 6.723 28.041 -10.547 1.00 44.30 N ATOM 1370 CA LYS A 89 5.964 28.273 -11.770 1.00 12.22 C ATOM 1371 C LYS A 89 6.886 28.684 -12.913 1.00 73.04 C ATOM 1372 O LYS A 89 7.597 29.684 -12.821 1.00 2.51 O ATOM 1373 CB LYS A 89 4.906 29.355 -11.540 1.00 33.31 C ATOM 1374 CG LYS A 89 4.407 29.999 -12.821 1.00 54.44 C ATOM 1375 CD LYS A 89 2.893 30.135 -12.825 1.00 22.41 C ATOM 1376 CE LYS A 89 2.389 30.783 -11.545 1.00 55.41 C ATOM 1377 NZ LYS A 89 1.229 31.682 -11.799 1.00 13.31 N ATOM 0 H LYS A 89 6.673 28.802 -9.870 1.00 44.30 H new ATOM 0 HA LYS A 89 5.469 27.341 -12.043 1.00 12.22 H new ATOM 0 HB2 LYS A 89 4.060 28.917 -11.010 1.00 33.31 H new ATOM 0 HB3 LYS A 89 5.323 30.127 -10.893 1.00 33.31 H new ATOM 0 HG2 LYS A 89 4.862 30.983 -12.936 1.00 54.44 H new ATOM 0 HG3 LYS A 89 4.722 29.401 -13.676 1.00 54.44 H new ATOM 0 HD2 LYS A 89 2.582 30.731 -13.683 1.00 22.41 H new ATOM 0 HD3 LYS A 89 2.438 29.151 -12.939 1.00 22.41 H new ATOM 0 HE2 LYS A 89 2.100 30.008 -10.835 1.00 55.41 H new ATOM 0 HE3 LYS A 89 3.196 31.353 -11.084 1.00 55.41 H new ATOM 0 HZ1 LYS A 89 0.914 32.105 -10.902 1.00 13.31 H new ATOM 0 HZ2 LYS A 89 1.512 32.436 -12.457 1.00 13.31 H new ATOM 0 HZ3 LYS A 89 0.450 31.134 -12.216 1.00 13.31 H new ATOM 1391 N ASP A 90 6.867 27.907 -13.991 1.00 31.24 N ATOM 1392 CA ASP A 90 7.699 28.192 -15.154 1.00 24.45 C ATOM 1393 C ASP A 90 9.100 27.615 -14.973 1.00 44.42 C ATOM 1394 O ASP A 90 9.851 27.468 -15.937 1.00 33.22 O ATOM 1395 CB ASP A 90 7.782 29.700 -15.391 1.00 53.24 C ATOM 1396 CG ASP A 90 8.043 30.044 -16.845 1.00 35.22 C ATOM 1397 OD1 ASP A 90 8.768 29.279 -17.515 1.00 1.03 O ATOM 1398 OD2 ASP A 90 7.520 31.077 -17.313 1.00 4.04 O ATOM 0 H ASP A 90 6.284 27.075 -14.083 1.00 31.24 H new ATOM 0 HA ASP A 90 7.240 27.721 -16.023 1.00 24.45 H new ATOM 0 HB2 ASP A 90 6.850 30.167 -15.072 1.00 53.24 H new ATOM 0 HB3 ASP A 90 8.576 30.119 -14.773 1.00 53.24 H new ATOM 1403 N GLY A 91 9.447 27.292 -13.731 1.00 14.23 N ATOM 1404 CA GLY A 91 10.757 26.737 -13.446 1.00 40.23 C ATOM 1405 C GLY A 91 11.657 27.718 -12.721 1.00 30.32 C ATOM 1406 O GLY A 91 12.831 27.863 -13.062 1.00 35.55 O ATOM 0 H GLY A 91 8.844 27.405 -12.916 1.00 14.23 H new ATOM 0 HA2 GLY A 91 10.643 25.837 -12.841 1.00 40.23 H new ATOM 0 HA3 GLY A 91 11.231 26.435 -14.380 1.00 40.23 H new ATOM 1410 N ALA A 92 11.106 28.394 -11.718 1.00 52.34 N ATOM 1411 CA ALA A 92 11.867 29.366 -10.943 1.00 32.11 C ATOM 1412 C ALA A 92 11.347 29.455 -9.512 1.00 71.22 C ATOM 1413 O ALA A 92 11.854 28.782 -8.616 1.00 32.54 O ATOM 1414 CB ALA A 92 11.815 30.732 -11.611 1.00 73.22 C ATOM 0 H ALA A 92 10.135 28.286 -11.423 1.00 52.34 H new ATOM 0 HA ALA A 92 12.904 29.032 -10.905 1.00 32.11 H new ATOM 0 HB1 ALA A 92 12.388 31.448 -11.021 1.00 73.22 H new ATOM 0 HB2 ALA A 92 12.241 30.664 -12.612 1.00 73.22 H new ATOM 0 HB3 ALA A 92 10.779 31.064 -11.679 1.00 73.22 H new ATOM 1420 N GLU A 93 10.333 30.290 -9.306 1.00 45.24 N ATOM 1421 CA GLU A 93 9.747 30.467 -7.983 1.00 51.22 C ATOM 1422 C GLU A 93 8.516 31.367 -8.049 1.00 43.15 C ATOM 1423 O GLU A 93 8.630 32.579 -8.232 1.00 35.22 O ATOM 1424 CB GLU A 93 10.776 31.062 -7.020 1.00 42.41 C ATOM 1425 CG GLU A 93 10.524 30.707 -5.564 1.00 44.24 C ATOM 1426 CD GLU A 93 11.772 30.828 -4.710 1.00 74.53 C ATOM 1427 OE1 GLU A 93 12.072 31.951 -4.255 1.00 50.11 O ATOM 1428 OE2 GLU A 93 12.447 29.799 -4.497 1.00 41.25 O ATOM 0 H GLU A 93 9.901 30.854 -10.038 1.00 45.24 H new ATOM 0 HA GLU A 93 9.441 29.487 -7.616 1.00 51.22 H new ATOM 0 HB2 GLU A 93 11.770 30.714 -7.303 1.00 42.41 H new ATOM 0 HB3 GLU A 93 10.776 32.147 -7.126 1.00 42.41 H new ATOM 0 HG2 GLU A 93 9.749 31.361 -5.163 1.00 44.24 H new ATOM 0 HG3 GLU A 93 10.144 29.687 -5.503 1.00 44.24 H new ATOM 1435 N ALA A 94 7.341 30.764 -7.901 1.00 2.54 N ATOM 1436 CA ALA A 94 6.090 31.510 -7.942 1.00 15.30 C ATOM 1437 C ALA A 94 5.701 32.008 -6.554 1.00 41.40 C ATOM 1438 O ALA A 94 5.065 33.053 -6.415 1.00 1.34 O ATOM 1439 CB ALA A 94 4.980 30.648 -8.525 1.00 21.52 C ATOM 0 H ALA A 94 7.230 29.761 -7.752 1.00 2.54 H new ATOM 0 HA ALA A 94 6.236 32.379 -8.584 1.00 15.30 H new ATOM 0 HB1 ALA A 94 4.051 31.218 -8.550 1.00 21.52 H new ATOM 0 HB2 ALA A 94 5.247 30.346 -9.538 1.00 21.52 H new ATOM 0 HB3 ALA A 94 4.845 29.761 -7.906 1.00 21.52 H new ATOM 1445 N ASP A 95 6.087 31.254 -5.531 1.00 12.33 N ATOM 1446 CA ASP A 95 5.779 31.620 -4.153 1.00 20.31 C ATOM 1447 C ASP A 95 5.801 30.392 -3.247 1.00 43.33 C ATOM 1448 O ASP A 95 6.086 29.281 -3.696 1.00 12.45 O ATOM 1449 CB ASP A 95 4.412 32.300 -4.077 1.00 15.44 C ATOM 1450 CG ASP A 95 4.518 33.812 -4.049 1.00 3.54 C ATOM 1451 OD1 ASP A 95 5.334 34.335 -3.261 1.00 64.31 O ATOM 1452 OD2 ASP A 95 3.785 34.474 -4.814 1.00 30.34 O ATOM 0 H ASP A 95 6.614 30.386 -5.629 1.00 12.33 H new ATOM 0 HA ASP A 95 6.543 32.317 -3.809 1.00 20.31 H new ATOM 0 HB2 ASP A 95 3.811 31.997 -4.934 1.00 15.44 H new ATOM 0 HB3 ASP A 95 3.889 31.959 -3.184 1.00 15.44 H new ATOM 1457 N LYS A 96 5.500 30.600 -1.970 1.00 3.31 N ATOM 1458 CA LYS A 96 5.485 29.512 -1.000 1.00 21.11 C ATOM 1459 C LYS A 96 4.178 29.502 -0.213 1.00 43.32 C ATOM 1460 O LYS A 96 3.237 30.223 -0.545 1.00 2.42 O ATOM 1461 CB LYS A 96 6.670 29.641 -0.040 1.00 33.44 C ATOM 1462 CG LYS A 96 7.914 30.228 -0.684 1.00 14.25 C ATOM 1463 CD LYS A 96 8.194 31.633 -0.176 1.00 30.45 C ATOM 1464 CE LYS A 96 9.284 31.634 0.885 1.00 44.31 C ATOM 1465 NZ LYS A 96 9.723 33.016 1.227 1.00 62.41 N ATOM 0 H LYS A 96 5.263 31.513 -1.582 1.00 3.31 H new ATOM 0 HA LYS A 96 5.567 28.572 -1.545 1.00 21.11 H new ATOM 0 HB2 LYS A 96 6.377 30.267 0.803 1.00 33.44 H new ATOM 0 HB3 LYS A 96 6.909 28.657 0.362 1.00 33.44 H new ATOM 0 HG2 LYS A 96 8.770 29.587 -0.475 1.00 14.25 H new ATOM 0 HG3 LYS A 96 7.789 30.250 -1.767 1.00 14.25 H new ATOM 0 HD2 LYS A 96 8.494 32.269 -1.009 1.00 30.45 H new ATOM 0 HD3 LYS A 96 7.281 32.060 0.238 1.00 30.45 H new ATOM 0 HE2 LYS A 96 8.917 31.137 1.783 1.00 44.31 H new ATOM 0 HE3 LYS A 96 10.139 31.059 0.528 1.00 44.31 H new ATOM 0 HZ1 LYS A 96 10.466 32.974 1.953 1.00 62.41 H new ATOM 0 HZ2 LYS A 96 10.096 33.482 0.376 1.00 62.41 H new ATOM 0 HZ3 LYS A 96 8.913 33.557 1.591 1.00 62.41 H new ATOM 1479 N VAL A 97 4.127 28.682 0.831 1.00 25.24 N ATOM 1480 CA VAL A 97 2.937 28.581 1.667 1.00 71.41 C ATOM 1481 C VAL A 97 3.260 27.929 3.007 1.00 74.23 C ATOM 1482 O VAL A 97 3.742 28.586 3.929 1.00 1.20 O ATOM 1483 CB VAL A 97 1.828 27.771 0.968 1.00 2.14 C ATOM 1484 CG1 VAL A 97 0.733 27.401 1.957 1.00 3.13 C ATOM 1485 CG2 VAL A 97 1.257 28.553 -0.205 1.00 14.15 C ATOM 0 H VAL A 97 4.897 28.077 1.118 1.00 25.24 H new ATOM 0 HA VAL A 97 2.582 29.597 1.838 1.00 71.41 H new ATOM 0 HB VAL A 97 2.263 26.849 0.583 1.00 2.14 H new ATOM 0 HG11 VAL A 97 -0.041 26.829 1.445 1.00 3.13 H new ATOM 0 HG12 VAL A 97 1.157 26.799 2.761 1.00 3.13 H new ATOM 0 HG13 VAL A 97 0.298 28.309 2.374 1.00 3.13 H new ATOM 0 HG21 VAL A 97 0.475 27.966 -0.687 1.00 14.15 H new ATOM 0 HG22 VAL A 97 0.837 29.492 0.154 1.00 14.15 H new ATOM 0 HG23 VAL A 97 2.050 28.761 -0.924 1.00 14.15 H new ATOM 1495 N VAL A 98 2.990 26.631 3.107 1.00 23.04 N ATOM 1496 CA VAL A 98 3.253 25.889 4.334 1.00 23.44 C ATOM 1497 C VAL A 98 2.397 24.629 4.409 1.00 44.21 C ATOM 1498 O VAL A 98 1.174 24.689 4.292 1.00 2.42 O ATOM 1499 CB VAL A 98 2.986 26.752 5.581 1.00 11.33 C ATOM 1500 CG1 VAL A 98 2.268 25.941 6.649 1.00 21.11 C ATOM 1501 CG2 VAL A 98 4.288 27.326 6.121 1.00 74.32 C ATOM 0 H VAL A 98 2.590 26.072 2.353 1.00 23.04 H new ATOM 0 HA VAL A 98 4.306 25.609 4.314 1.00 23.44 H new ATOM 0 HB VAL A 98 2.341 27.582 5.295 1.00 11.33 H new ATOM 0 HG11 VAL A 98 2.088 26.568 7.522 1.00 21.11 H new ATOM 0 HG12 VAL A 98 1.316 25.584 6.256 1.00 21.11 H new ATOM 0 HG13 VAL A 98 2.885 25.089 6.935 1.00 21.11 H new ATOM 0 HG21 VAL A 98 4.080 27.933 7.002 1.00 74.32 H new ATOM 0 HG22 VAL A 98 4.960 26.512 6.392 1.00 74.32 H new ATOM 0 HG23 VAL A 98 4.758 27.945 5.356 1.00 74.32 H new ATOM 1511 N GLY A 99 3.050 23.487 4.605 1.00 50.33 N ATOM 1512 CA GLY A 99 2.333 22.229 4.692 1.00 71.40 C ATOM 1513 C GLY A 99 1.637 22.049 6.027 1.00 42.03 C ATOM 1514 O GLY A 99 1.752 20.999 6.658 1.00 70.34 O ATOM 0 H GLY A 99 4.062 23.411 4.705 1.00 50.33 H new ATOM 0 HA2 GLY A 99 1.595 22.179 3.891 1.00 71.40 H new ATOM 0 HA3 GLY A 99 3.030 21.406 4.535 1.00 71.40 H new ATOM 1518 N ALA A 100 0.915 23.077 6.459 1.00 51.51 N ATOM 1519 CA ALA A 100 0.198 23.028 7.727 1.00 10.20 C ATOM 1520 C ALA A 100 -1.027 23.936 7.701 1.00 43.40 C ATOM 1521 O ALA A 100 -1.613 24.233 8.742 1.00 74.01 O ATOM 1522 CB ALA A 100 1.122 23.418 8.871 1.00 22.22 C ATOM 0 H ALA A 100 0.811 23.954 5.949 1.00 51.51 H new ATOM 0 HA ALA A 100 -0.144 22.005 7.883 1.00 10.20 H new ATOM 0 HB1 ALA A 100 0.573 23.377 9.812 1.00 22.22 H new ATOM 0 HB2 ALA A 100 1.963 22.726 8.911 1.00 22.22 H new ATOM 0 HB3 ALA A 100 1.492 24.431 8.711 1.00 22.22 H new ATOM 1528 N ARG A 101 -1.407 24.375 6.506 1.00 42.34 N ATOM 1529 CA ARG A 101 -2.561 25.252 6.345 1.00 62.41 C ATOM 1530 C ARG A 101 -3.529 24.690 5.308 1.00 15.40 C ATOM 1531 O ARG A 101 -3.207 24.605 4.123 1.00 40.32 O ATOM 1532 CB ARG A 101 -2.110 26.654 5.931 1.00 62.41 C ATOM 1533 CG ARG A 101 -2.150 27.666 7.064 1.00 24.41 C ATOM 1534 CD ARG A 101 -1.405 27.159 8.290 1.00 51.34 C ATOM 1535 NE ARG A 101 -1.155 28.224 9.257 1.00 11.40 N ATOM 1536 CZ ARG A 101 -0.760 28.005 10.506 1.00 34.12 C ATOM 1537 NH1 ARG A 101 -0.571 26.765 10.937 1.00 13.30 N ATOM 1538 NH2 ARG A 101 -0.553 29.027 11.327 1.00 34.42 N ATOM 0 H ARG A 101 -0.933 24.138 5.635 1.00 42.34 H new ATOM 0 HA ARG A 101 -3.077 25.313 7.303 1.00 62.41 H new ATOM 0 HB2 ARG A 101 -1.094 26.599 5.540 1.00 62.41 H new ATOM 0 HB3 ARG A 101 -2.746 27.006 5.118 1.00 62.41 H new ATOM 0 HG2 ARG A 101 -1.708 28.605 6.731 1.00 24.41 H new ATOM 0 HG3 ARG A 101 -3.186 27.878 7.328 1.00 24.41 H new ATOM 0 HD2 ARG A 101 -1.984 26.367 8.765 1.00 51.34 H new ATOM 0 HD3 ARG A 101 -0.457 26.719 7.982 1.00 51.34 H new ATOM 0 HE ARG A 101 -1.291 29.189 8.957 1.00 11.40 H new ATOM 0 HH11 ARG A 101 -0.729 25.977 10.309 1.00 13.30 H new ATOM 0 HH12 ARG A 101 -0.268 26.599 11.897 1.00 13.30 H new ATOM 0 HH21 ARG A 101 -0.697 29.982 10.999 1.00 34.42 H new ATOM 0 HH22 ARG A 101 -0.250 28.857 12.286 1.00 34.42 H new ATOM 1552 N LYS A 102 -4.718 24.308 5.762 1.00 31.14 N ATOM 1553 CA LYS A 102 -5.735 23.755 4.876 1.00 51.33 C ATOM 1554 C LYS A 102 -6.532 24.868 4.202 1.00 34.42 C ATOM 1555 O LYS A 102 -7.493 24.605 3.478 1.00 64.11 O ATOM 1556 CB LYS A 102 -6.679 22.838 5.657 1.00 3.21 C ATOM 1557 CG LYS A 102 -7.013 21.547 4.930 1.00 50.43 C ATOM 1558 CD LYS A 102 -8.170 21.736 3.963 1.00 62.13 C ATOM 1559 CE LYS A 102 -9.233 20.664 4.150 1.00 40.31 C ATOM 1560 NZ LYS A 102 -9.683 20.096 2.849 1.00 42.10 N ATOM 0 H LYS A 102 -5.001 24.372 6.740 1.00 31.14 H new ATOM 0 HA LYS A 102 -5.231 23.173 4.104 1.00 51.33 H new ATOM 0 HB2 LYS A 102 -6.225 22.597 6.618 1.00 3.21 H new ATOM 0 HB3 LYS A 102 -7.603 23.376 5.867 1.00 3.21 H new ATOM 0 HG2 LYS A 102 -6.136 21.197 4.386 1.00 50.43 H new ATOM 0 HG3 LYS A 102 -7.267 20.774 5.656 1.00 50.43 H new ATOM 0 HD2 LYS A 102 -8.614 22.720 4.113 1.00 62.13 H new ATOM 0 HD3 LYS A 102 -7.798 21.707 2.939 1.00 62.13 H new ATOM 0 HE2 LYS A 102 -8.837 19.865 4.777 1.00 40.31 H new ATOM 0 HE3 LYS A 102 -10.088 21.088 4.676 1.00 40.31 H new ATOM 0 HZ1 LYS A 102 -10.710 20.229 2.749 1.00 42.10 H new ATOM 0 HZ2 LYS A 102 -9.193 20.581 2.070 1.00 42.10 H new ATOM 0 HZ3 LYS A 102 -9.461 19.080 2.818 1.00 42.10 H new ATOM 1574 N ASP A 103 -6.127 26.109 4.444 1.00 14.44 N ATOM 1575 CA ASP A 103 -6.803 27.262 3.859 1.00 23.20 C ATOM 1576 C ASP A 103 -5.826 28.113 3.055 1.00 44.45 C ATOM 1577 O ASP A 103 -6.226 29.056 2.370 1.00 25.44 O ATOM 1578 CB ASP A 103 -7.455 28.108 4.954 1.00 43.04 C ATOM 1579 CG ASP A 103 -8.535 29.024 4.411 1.00 24.34 C ATOM 1580 OD1 ASP A 103 -9.399 28.538 3.652 1.00 33.55 O ATOM 1581 OD2 ASP A 103 -8.515 30.226 4.747 1.00 55.33 O ATOM 0 H ASP A 103 -5.334 26.343 5.041 1.00 14.44 H new ATOM 0 HA ASP A 103 -7.578 26.895 3.185 1.00 23.20 H new ATOM 0 HB2 ASP A 103 -7.886 27.451 5.709 1.00 43.04 H new ATOM 0 HB3 ASP A 103 -6.691 28.706 5.451 1.00 43.04 H new ATOM 1586 N ASP A 104 -4.544 27.776 3.143 1.00 42.15 N ATOM 1587 CA ASP A 104 -3.509 28.510 2.423 1.00 70.31 C ATOM 1588 C ASP A 104 -2.967 27.685 1.260 1.00 70.41 C ATOM 1589 O ASP A 104 -2.430 28.230 0.295 1.00 42.11 O ATOM 1590 CB ASP A 104 -2.370 28.888 3.371 1.00 43.25 C ATOM 1591 CG ASP A 104 -1.817 30.271 3.088 1.00 11.40 C ATOM 1592 OD1 ASP A 104 -2.591 31.248 3.171 1.00 0.32 O ATOM 1593 OD2 ASP A 104 -0.611 30.377 2.785 1.00 45.23 O ATOM 0 H ASP A 104 -4.196 26.999 3.706 1.00 42.15 H new ATOM 0 HA ASP A 104 -3.955 29.420 2.022 1.00 70.31 H new ATOM 0 HB2 ASP A 104 -2.728 28.846 4.400 1.00 43.25 H new ATOM 0 HB3 ASP A 104 -1.569 28.154 3.283 1.00 43.25 H new ATOM 1598 N LEU A 105 -3.110 26.368 1.358 1.00 33.43 N ATOM 1599 CA LEU A 105 -2.634 25.466 0.315 1.00 53.12 C ATOM 1600 C LEU A 105 -3.547 25.516 -0.906 1.00 34.20 C ATOM 1601 O LEU A 105 -3.217 26.140 -1.914 1.00 73.30 O ATOM 1602 CB LEU A 105 -2.554 24.035 0.848 1.00 61.41 C ATOM 1603 CG LEU A 105 -2.354 22.939 -0.200 1.00 32.45 C ATOM 1604 CD1 LEU A 105 -0.952 23.008 -0.784 1.00 51.35 C ATOM 1605 CD2 LEU A 105 -2.613 21.567 0.407 1.00 13.43 C ATOM 0 H LEU A 105 -3.552 25.901 2.150 1.00 33.43 H new ATOM 0 HA LEU A 105 -1.638 25.791 0.015 1.00 53.12 H new ATOM 0 HB2 LEU A 105 -1.733 23.980 1.563 1.00 61.41 H new ATOM 0 HB3 LEU A 105 -3.471 23.821 1.398 1.00 61.41 H new ATOM 0 HG LEU A 105 -3.070 23.099 -1.006 1.00 32.45 H new ATOM 0 HD11 LEU A 105 -0.828 22.221 -1.528 1.00 51.35 H new ATOM 0 HD12 LEU A 105 -0.802 23.979 -1.255 1.00 51.35 H new ATOM 0 HD13 LEU A 105 -0.219 22.874 0.012 1.00 51.35 H new ATOM 0 HD21 LEU A 105 -2.466 20.799 -0.353 1.00 13.43 H new ATOM 0 HD22 LEU A 105 -1.921 21.398 1.232 1.00 13.43 H new ATOM 0 HD23 LEU A 105 -3.637 21.520 0.777 1.00 13.43 H new ATOM 1617 N GLN A 106 -4.697 24.856 -0.806 1.00 1.10 N ATOM 1618 CA GLN A 106 -5.658 24.827 -1.902 1.00 71.20 C ATOM 1619 C GLN A 106 -5.868 26.223 -2.480 1.00 25.42 C ATOM 1620 O GLN A 106 -6.258 26.374 -3.637 1.00 20.35 O ATOM 1621 CB GLN A 106 -6.993 24.255 -1.422 1.00 72.23 C ATOM 1622 CG GLN A 106 -7.656 25.086 -0.336 1.00 11.41 C ATOM 1623 CD GLN A 106 -6.718 25.400 0.813 1.00 33.42 C ATOM 1624 OE1 GLN A 106 -6.490 26.564 1.144 1.00 33.51 O ATOM 1625 NE2 GLN A 106 -6.168 24.360 1.429 1.00 35.43 N ATOM 0 H GLN A 106 -4.985 24.335 0.022 1.00 1.10 H new ATOM 0 HA GLN A 106 -5.257 24.186 -2.687 1.00 71.20 H new ATOM 0 HB2 GLN A 106 -7.671 24.175 -2.272 1.00 72.23 H new ATOM 0 HB3 GLN A 106 -6.832 23.244 -1.047 1.00 72.23 H new ATOM 0 HG2 GLN A 106 -8.020 26.018 -0.768 1.00 11.41 H new ATOM 0 HG3 GLN A 106 -8.526 24.551 0.046 1.00 11.41 H new ATOM 0 HE21 GLN A 106 -6.385 23.412 1.122 1.00 35.43 H new ATOM 0 HE22 GLN A 106 -5.529 24.509 2.210 1.00 35.43 H new ATOM 1634 N ASN A 107 -5.606 27.240 -1.666 1.00 5.12 N ATOM 1635 CA ASN A 107 -5.766 28.624 -2.096 1.00 54.22 C ATOM 1636 C ASN A 107 -4.629 29.041 -3.023 1.00 42.33 C ATOM 1637 O ASN A 107 -4.832 29.798 -3.973 1.00 52.32 O ATOM 1638 CB ASN A 107 -5.818 29.555 -0.883 1.00 23.22 C ATOM 1639 CG ASN A 107 -7.237 29.928 -0.500 1.00 42.53 C ATOM 1640 OD1 ASN A 107 -7.674 31.058 -0.720 1.00 5.43 O ATOM 1641 ND2 ASN A 107 -7.964 28.978 0.075 1.00 11.02 N ATOM 0 H ASN A 107 -5.282 27.132 -0.705 1.00 5.12 H new ATOM 0 HA ASN A 107 -6.705 28.701 -2.645 1.00 54.22 H new ATOM 0 HB2 ASN A 107 -5.331 29.071 -0.036 1.00 23.22 H new ATOM 0 HB3 ASN A 107 -5.253 30.462 -1.100 1.00 23.22 H new ATOM 0 HD21 ASN A 107 -8.926 29.170 0.354 1.00 11.02 H new ATOM 0 HD22 ASN A 107 -7.561 28.055 0.238 1.00 11.02 H new ATOM 1648 N THR A 108 -3.429 28.542 -2.741 1.00 74.34 N ATOM 1649 CA THR A 108 -2.259 28.862 -3.549 1.00 10.24 C ATOM 1650 C THR A 108 -2.233 28.039 -4.831 1.00 74.41 C ATOM 1651 O THR A 108 -1.842 28.532 -5.889 1.00 5.31 O ATOM 1652 CB THR A 108 -0.954 28.617 -2.768 1.00 60.41 C ATOM 1653 OG1 THR A 108 -0.778 29.634 -1.776 1.00 30.34 O ATOM 1654 CG2 THR A 108 0.243 28.604 -3.706 1.00 64.13 C ATOM 0 H THR A 108 -3.242 27.915 -1.959 1.00 74.34 H new ATOM 0 HA THR A 108 -2.330 29.920 -3.802 1.00 10.24 H new ATOM 0 HB THR A 108 -1.025 27.644 -2.281 1.00 60.41 H new ATOM 0 HG1 THR A 108 -1.259 29.382 -0.960 1.00 30.34 H new ATOM 0 HG21 THR A 108 1.153 28.429 -3.132 1.00 64.13 H new ATOM 0 HG22 THR A 108 0.120 27.809 -4.442 1.00 64.13 H new ATOM 0 HG23 THR A 108 0.315 29.564 -4.217 1.00 64.13 H new ATOM 1662 N ILE A 109 -2.654 26.782 -4.730 1.00 43.24 N ATOM 1663 CA ILE A 109 -2.680 25.891 -5.884 1.00 12.33 C ATOM 1664 C ILE A 109 -3.679 26.375 -6.929 1.00 54.01 C ATOM 1665 O ILE A 109 -3.537 26.090 -8.118 1.00 72.03 O ATOM 1666 CB ILE A 109 -3.040 24.451 -5.474 1.00 62.22 C ATOM 1667 CG1 ILE A 109 -1.824 23.753 -4.861 1.00 42.02 C ATOM 1668 CG2 ILE A 109 -3.555 23.672 -6.675 1.00 62.41 C ATOM 1669 CD1 ILE A 109 -1.628 24.059 -3.393 1.00 33.12 C ATOM 0 H ILE A 109 -2.981 26.358 -3.862 1.00 43.24 H new ATOM 0 HA ILE A 109 -1.678 25.899 -6.312 1.00 12.33 H new ATOM 0 HB ILE A 109 -3.830 24.489 -4.724 1.00 62.22 H new ATOM 0 HG12 ILE A 109 -1.931 22.676 -4.988 1.00 42.02 H new ATOM 0 HG13 ILE A 109 -0.930 24.051 -5.408 1.00 42.02 H new ATOM 0 HG21 ILE A 109 -3.805 22.656 -6.370 1.00 62.41 H new ATOM 0 HG22 ILE A 109 -4.445 24.161 -7.072 1.00 62.41 H new ATOM 0 HG23 ILE A 109 -2.785 23.640 -7.445 1.00 62.41 H new ATOM 0 HD11 ILE A 109 -0.748 23.531 -3.026 1.00 33.12 H new ATOM 0 HD12 ILE A 109 -1.489 25.132 -3.260 1.00 33.12 H new ATOM 0 HD13 ILE A 109 -2.506 23.735 -2.834 1.00 33.12 H new ATOM 1681 N VAL A 110 -4.691 27.111 -6.478 1.00 25.53 N ATOM 1682 CA VAL A 110 -5.713 27.637 -7.374 1.00 44.32 C ATOM 1683 C VAL A 110 -5.214 28.877 -8.108 1.00 12.55 C ATOM 1684 O VAL A 110 -5.644 29.167 -9.224 1.00 54.21 O ATOM 1685 CB VAL A 110 -7.002 27.990 -6.609 1.00 52.14 C ATOM 1686 CG1 VAL A 110 -7.568 26.758 -5.920 1.00 12.23 C ATOM 1687 CG2 VAL A 110 -6.738 29.100 -5.603 1.00 43.24 C ATOM 0 H VAL A 110 -4.824 27.356 -5.497 1.00 25.53 H new ATOM 0 HA VAL A 110 -5.933 26.853 -8.099 1.00 44.32 H new ATOM 0 HB VAL A 110 -7.742 28.349 -7.325 1.00 52.14 H new ATOM 0 HG11 VAL A 110 -8.479 27.027 -5.384 1.00 12.23 H new ATOM 0 HG12 VAL A 110 -7.797 25.997 -6.666 1.00 12.23 H new ATOM 0 HG13 VAL A 110 -6.835 26.366 -5.215 1.00 12.23 H new ATOM 0 HG21 VAL A 110 -7.660 29.336 -5.072 1.00 43.24 H new ATOM 0 HG22 VAL A 110 -5.982 28.772 -4.890 1.00 43.24 H new ATOM 0 HG23 VAL A 110 -6.383 29.988 -6.126 1.00 43.24 H new ATOM 1697 N LYS A 111 -4.303 29.607 -7.473 1.00 15.44 N ATOM 1698 CA LYS A 111 -3.743 30.817 -8.064 1.00 74.31 C ATOM 1699 C LYS A 111 -2.627 30.475 -9.046 1.00 10.41 C ATOM 1700 O LYS A 111 -2.352 31.233 -9.977 1.00 12.32 O ATOM 1701 CB LYS A 111 -3.209 31.744 -6.970 1.00 70.11 C ATOM 1702 CG LYS A 111 -1.699 31.691 -6.812 1.00 34.03 C ATOM 1703 CD LYS A 111 -1.275 32.040 -5.395 1.00 43.22 C ATOM 1704 CE LYS A 111 -0.734 33.459 -5.309 1.00 41.33 C ATOM 1705 NZ LYS A 111 0.465 33.544 -4.430 1.00 62.43 N ATOM 0 H LYS A 111 -3.937 29.381 -6.548 1.00 15.44 H new ATOM 0 HA LYS A 111 -4.538 31.328 -8.607 1.00 74.31 H new ATOM 0 HB2 LYS A 111 -3.507 32.768 -7.196 1.00 70.11 H new ATOM 0 HB3 LYS A 111 -3.675 31.479 -6.021 1.00 70.11 H new ATOM 0 HG2 LYS A 111 -1.340 30.693 -7.065 1.00 34.03 H new ATOM 0 HG3 LYS A 111 -1.234 32.384 -7.513 1.00 34.03 H new ATOM 0 HD2 LYS A 111 -2.126 31.932 -4.722 1.00 43.22 H new ATOM 0 HD3 LYS A 111 -0.512 31.338 -5.059 1.00 43.22 H new ATOM 0 HE2 LYS A 111 -0.477 33.811 -6.308 1.00 41.33 H new ATOM 0 HE3 LYS A 111 -1.511 34.121 -4.928 1.00 41.33 H new ATOM 0 HZ1 LYS A 111 0.803 34.527 -4.398 1.00 62.43 H new ATOM 0 HZ2 LYS A 111 0.214 33.233 -3.470 1.00 62.43 H new ATOM 0 HZ3 LYS A 111 1.216 32.932 -4.807 1.00 62.43 H new ATOM 1719 N HIS A 112 -1.987 29.330 -8.833 1.00 75.30 N ATOM 1720 CA HIS A 112 -0.902 28.887 -9.701 1.00 51.32 C ATOM 1721 C HIS A 112 -1.375 27.785 -10.644 1.00 33.12 C ATOM 1722 O HIS A 112 -1.124 27.834 -11.848 1.00 73.51 O ATOM 1723 CB HIS A 112 0.277 28.388 -8.865 1.00 52.21 C ATOM 1724 CG HIS A 112 0.739 29.372 -7.835 1.00 22.24 C ATOM 1725 ND1 HIS A 112 1.129 29.192 -6.551 1.00 61.43 N flip ATOM 1726 CD2 HIS A 112 0.838 30.726 -8.077 1.00 30.30 C flip ATOM 1727 CE1 HIS A 112 1.454 30.427 -6.047 1.00 45.51 C flip ATOM 1728 NE2 HIS A 112 1.270 31.335 -6.988 1.00 42.11 N flip ATOM 0 H HIS A 112 -2.201 28.692 -8.067 1.00 75.30 H new ATOM 0 HA HIS A 112 -0.579 29.738 -10.300 1.00 51.32 H new ATOM 0 HB2 HIS A 112 -0.007 27.461 -8.368 1.00 52.21 H new ATOM 0 HB3 HIS A 112 1.109 28.152 -9.529 1.00 52.21 H new ATOM 0 HD1 HIS A 112 1.173 28.304 -6.051 1.00 61.43 H new ATOM 0 HD2 HIS A 112 0.599 31.212 -9.011 1.00 30.30 H new ATOM 0 HE1 HIS A 112 1.803 30.624 -5.044 1.00 45.51 H new ATOM 1736 N VAL A 113 -2.061 26.791 -10.088 1.00 23.04 N ATOM 1737 CA VAL A 113 -2.569 25.677 -10.878 1.00 73.44 C ATOM 1738 C VAL A 113 -4.009 25.924 -11.315 1.00 2.31 C ATOM 1739 O VAL A 113 -4.439 25.456 -12.368 1.00 64.31 O ATOM 1740 CB VAL A 113 -2.503 24.354 -10.092 1.00 33.02 C ATOM 1741 CG1 VAL A 113 -2.652 23.166 -11.030 1.00 54.44 C ATOM 1742 CG2 VAL A 113 -1.202 24.265 -9.308 1.00 73.24 C ATOM 0 H VAL A 113 -2.277 26.735 -9.093 1.00 23.04 H new ATOM 0 HA VAL A 113 -1.933 25.599 -11.760 1.00 73.44 H new ATOM 0 HB VAL A 113 -3.331 24.332 -9.383 1.00 33.02 H new ATOM 0 HG11 VAL A 113 -2.603 22.241 -10.456 1.00 54.44 H new ATOM 0 HG12 VAL A 113 -3.613 23.225 -11.542 1.00 54.44 H new ATOM 0 HG13 VAL A 113 -1.848 23.180 -11.765 1.00 54.44 H new ATOM 0 HG21 VAL A 113 -1.172 23.324 -8.759 1.00 73.24 H new ATOM 0 HG22 VAL A 113 -0.358 24.310 -9.997 1.00 73.24 H new ATOM 0 HG23 VAL A 113 -1.142 25.097 -8.606 1.00 73.24 H new ATOM 1752 N GLY A 114 -4.750 26.666 -10.497 1.00 74.41 N ATOM 1753 CA GLY A 114 -6.134 26.963 -10.816 1.00 54.51 C ATOM 1754 C GLY A 114 -6.267 28.065 -11.849 1.00 32.10 C ATOM 1755 O GLY A 114 -7.353 28.302 -12.377 1.00 70.13 O ATOM 0 H GLY A 114 -4.417 27.066 -9.620 1.00 74.41 H new ATOM 0 HA2 GLY A 114 -6.620 26.061 -11.187 1.00 54.51 H new ATOM 0 HA3 GLY A 114 -6.658 27.256 -9.907 1.00 54.51 H new ATOM 1759 N ALA A 115 -5.160 28.741 -12.136 1.00 42.14 N ATOM 1760 CA ALA A 115 -5.157 29.823 -13.113 1.00 12.31 C ATOM 1761 C ALA A 115 -6.432 30.655 -13.014 1.00 64.11 C ATOM 1762 O ALA A 115 -6.941 31.151 -14.019 1.00 54.52 O ATOM 1763 CB ALA A 115 -4.997 29.265 -14.519 1.00 62.11 C ATOM 0 H ALA A 115 -4.253 28.559 -11.706 1.00 42.14 H new ATOM 0 HA ALA A 115 -4.311 30.474 -12.894 1.00 12.31 H new ATOM 0 HB1 ALA A 115 -4.997 30.084 -15.238 1.00 62.11 H new ATOM 0 HB2 ALA A 115 -4.056 28.720 -14.589 1.00 62.11 H new ATOM 0 HB3 ALA A 115 -5.824 28.590 -14.739 1.00 62.11 H new