USER MOD reduce.3.24.130724 H: found=0, std=0, add=1070, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 1071 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 25 SER OG : rot 81:sc= 1.54 USER MOD Set 1.2: A 120 LYS NZ :NH3+ -161:sc= 1.05 (180deg=-0.182) USER MOD Set 2.1: A 109 THR OG1 : rot -99:sc= 0.347 USER MOD Set 2.2: A 111 ASN : amide:sc= -1.65! C(o=-1.3!,f=-9.9!) USER MOD Single : A 3 THR OG1 : rot -140:sc= 0 USER MOD Single : A 9 SER OG : rot 69:sc= -0.114 USER MOD Single : A 24 LYS NZ :NH3+ 169:sc= 0.175 (180deg=0.142) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -167:sc= 0.722 (180deg=0.593) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 130:sc= -0.073 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 138:sc= 0.956 (180deg=0.209) USER MOD Single : A 41 LYS NZ :NH3+ -142:sc= 0.734 (180deg=0.0215) USER MOD Single : A 46 LYS NZ :NH3+ 171:sc= -0.0012 (180deg=-0.0823) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -1.39 K(o=-1.4,f=-0.18) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0542 USER MOD Single : A 72 TYR OH : rot 134:sc= -0.0734 USER MOD Single : A 74 GLN : amide:sc= -1.26 X(o=-1.3,f=-0.93) USER MOD Single : A 75 LYS NZ :NH3+ -113:sc= 1.23 (180deg=-0.326) USER MOD Single : A 84 MET CE :methyl -152:sc= -0.579 (180deg=-1.73) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 GLN : amide:sc= -1.57 K(o=-1.6,f=-0.44) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0.2 X(o=0.2,f=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -132:sc= 1.18 (180deg=-0.13) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ 167:sc= -0.0309 (180deg=-0.202) USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 0.320 13.315 -0.912 1.00 25.44 N ATOM 21 CA GLY A 2 1.394 12.711 -0.114 1.00 1.31 C ATOM 22 C GLY A 2 0.944 11.478 0.657 1.00 4.43 C ATOM 23 O GLY A 2 0.857 11.501 1.891 1.00 73.53 O ATOM 0 HA2 GLY A 2 2.219 12.439 -0.773 1.00 1.31 H new ATOM 0 HA3 GLY A 2 1.777 13.451 0.588 1.00 1.31 H new ATOM 27 N THR A 3 0.629 10.411 -0.081 1.00 33.11 N ATOM 28 CA THR A 3 0.059 9.180 0.484 1.00 23.35 C ATOM 29 C THR A 3 0.820 7.953 -0.031 1.00 34.32 C ATOM 30 O THR A 3 0.985 7.795 -1.241 1.00 31.23 O ATOM 31 CB THR A 3 -1.452 9.073 0.111 1.00 72.44 C ATOM 32 OG1 THR A 3 -2.159 10.230 0.607 1.00 41.40 O ATOM 33 CG2 THR A 3 -2.103 7.792 0.670 1.00 62.13 C ATOM 0 H THR A 3 0.762 10.374 -1.092 1.00 33.11 H new ATOM 0 HA THR A 3 0.154 9.215 1.569 1.00 23.35 H new ATOM 0 HB THR A 3 -1.517 9.028 -0.976 1.00 72.44 H new ATOM 0 HG1 THR A 3 -3.030 9.954 0.962 1.00 41.40 H new ATOM 0 HG21 THR A 3 -3.154 7.763 0.384 1.00 62.13 H new ATOM 0 HG22 THR A 3 -1.593 6.918 0.265 1.00 62.13 H new ATOM 0 HG23 THR A 3 -2.023 7.788 1.757 1.00 62.13 H new ATOM 41 N VAL A 4 1.282 7.100 0.903 1.00 51.04 N ATOM 42 CA VAL A 4 2.001 5.859 0.591 1.00 63.44 C ATOM 43 C VAL A 4 1.095 4.649 0.867 1.00 22.44 C ATOM 44 O VAL A 4 0.795 4.339 2.025 1.00 22.51 O ATOM 45 CB VAL A 4 3.332 5.741 1.422 1.00 45.51 C ATOM 46 CG1 VAL A 4 4.137 4.487 1.014 1.00 35.25 C ATOM 47 CG2 VAL A 4 4.183 7.017 1.272 1.00 15.20 C ATOM 0 H VAL A 4 1.163 7.258 1.904 1.00 51.04 H new ATOM 0 HA VAL A 4 2.269 5.878 -0.465 1.00 63.44 H new ATOM 0 HB VAL A 4 3.063 5.633 2.473 1.00 45.51 H new ATOM 0 HG11 VAL A 4 5.051 4.433 1.605 1.00 35.25 H new ATOM 0 HG12 VAL A 4 3.536 3.595 1.192 1.00 35.25 H new ATOM 0 HG13 VAL A 4 4.392 4.547 -0.044 1.00 35.25 H new ATOM 0 HG21 VAL A 4 5.099 6.914 1.855 1.00 15.20 H new ATOM 0 HG22 VAL A 4 4.436 7.165 0.222 1.00 15.20 H new ATOM 0 HG23 VAL A 4 3.618 7.876 1.633 1.00 15.20 H new ATOM 57 N VAL A 5 0.656 3.991 -0.211 1.00 52.41 N ATOM 58 CA VAL A 5 -0.175 2.786 -0.158 1.00 34.12 C ATOM 59 C VAL A 5 0.728 1.539 -0.261 1.00 11.14 C ATOM 60 O VAL A 5 1.366 1.320 -1.289 1.00 62.12 O ATOM 61 CB VAL A 5 -1.259 2.781 -1.306 1.00 42.14 C ATOM 62 CG1 VAL A 5 -2.178 1.534 -1.217 1.00 31.12 C ATOM 63 CG2 VAL A 5 -2.085 4.096 -1.296 1.00 64.44 C ATOM 0 H VAL A 5 0.873 4.288 -1.162 1.00 52.41 H new ATOM 0 HA VAL A 5 -0.709 2.773 0.792 1.00 34.12 H new ATOM 0 HB VAL A 5 -0.732 2.725 -2.258 1.00 42.14 H new ATOM 0 HG11 VAL A 5 -2.912 1.564 -2.023 1.00 31.12 H new ATOM 0 HG12 VAL A 5 -1.575 0.630 -1.309 1.00 31.12 H new ATOM 0 HG13 VAL A 5 -2.694 1.530 -0.257 1.00 31.12 H new ATOM 0 HG21 VAL A 5 -2.825 4.067 -2.096 1.00 64.44 H new ATOM 0 HG22 VAL A 5 -2.592 4.200 -0.337 1.00 64.44 H new ATOM 0 HG23 VAL A 5 -1.419 4.945 -1.448 1.00 64.44 H new ATOM 73 N ILE A 6 0.805 0.758 0.829 1.00 44.24 N ATOM 74 CA ILE A 6 1.570 -0.496 0.880 1.00 72.53 C ATOM 75 C ILE A 6 0.594 -1.671 0.721 1.00 42.53 C ATOM 76 O ILE A 6 -0.249 -1.913 1.593 1.00 51.24 O ATOM 77 CB ILE A 6 2.377 -0.626 2.231 1.00 73.41 C ATOM 78 CG1 ILE A 6 3.297 0.619 2.451 1.00 20.55 C ATOM 79 CG2 ILE A 6 3.210 -1.937 2.275 1.00 71.33 C ATOM 80 CD1 ILE A 6 4.292 0.880 1.324 1.00 41.30 C ATOM 0 H ILE A 6 0.334 0.982 1.706 1.00 44.24 H new ATOM 0 HA ILE A 6 2.299 -0.502 0.069 1.00 72.53 H new ATOM 0 HB ILE A 6 1.651 -0.667 3.043 1.00 73.41 H new ATOM 0 HG12 ILE A 6 2.669 1.501 2.575 1.00 20.55 H new ATOM 0 HG13 ILE A 6 3.849 0.487 3.382 1.00 20.55 H new ATOM 0 HG21 ILE A 6 3.752 -1.992 3.219 1.00 71.33 H new ATOM 0 HG22 ILE A 6 2.543 -2.795 2.189 1.00 71.33 H new ATOM 0 HG23 ILE A 6 3.920 -1.945 1.448 1.00 71.33 H new ATOM 0 HD11 ILE A 6 4.888 1.762 1.561 1.00 41.30 H new ATOM 0 HD12 ILE A 6 4.949 0.018 1.212 1.00 41.30 H new ATOM 0 HD13 ILE A 6 3.751 1.048 0.393 1.00 41.30 H new ATOM 92 N VAL A 7 0.689 -2.360 -0.417 1.00 51.44 N ATOM 93 CA VAL A 7 -0.153 -3.514 -0.743 1.00 33.22 C ATOM 94 C VAL A 7 0.635 -4.808 -0.476 1.00 62.33 C ATOM 95 O VAL A 7 1.628 -5.095 -1.158 1.00 43.03 O ATOM 96 CB VAL A 7 -0.643 -3.464 -2.238 1.00 12.01 C ATOM 97 CG1 VAL A 7 -1.539 -4.675 -2.578 1.00 3.54 C ATOM 98 CG2 VAL A 7 -1.375 -2.133 -2.530 1.00 31.23 C ATOM 0 H VAL A 7 1.362 -2.130 -1.149 1.00 51.44 H new ATOM 0 HA VAL A 7 -1.040 -3.489 -0.110 1.00 33.22 H new ATOM 0 HB VAL A 7 0.237 -3.517 -2.879 1.00 12.01 H new ATOM 0 HG11 VAL A 7 -1.860 -4.610 -3.618 1.00 3.54 H new ATOM 0 HG12 VAL A 7 -0.977 -5.597 -2.429 1.00 3.54 H new ATOM 0 HG13 VAL A 7 -2.414 -4.675 -1.927 1.00 3.54 H new ATOM 0 HG21 VAL A 7 -1.705 -2.120 -3.569 1.00 31.23 H new ATOM 0 HG22 VAL A 7 -2.240 -2.042 -1.873 1.00 31.23 H new ATOM 0 HG23 VAL A 7 -0.696 -1.298 -2.354 1.00 31.23 H new ATOM 108 N VAL A 8 0.196 -5.557 0.544 1.00 31.00 N ATOM 109 CA VAL A 8 0.810 -6.823 0.968 1.00 71.13 C ATOM 110 C VAL A 8 -0.119 -7.986 0.574 1.00 23.54 C ATOM 111 O VAL A 8 -1.218 -8.109 1.126 1.00 34.04 O ATOM 112 CB VAL A 8 1.052 -6.829 2.528 1.00 72.22 C ATOM 113 CG1 VAL A 8 1.647 -8.175 3.018 1.00 5.33 C ATOM 114 CG2 VAL A 8 1.926 -5.621 2.962 1.00 43.44 C ATOM 0 H VAL A 8 -0.612 -5.295 1.109 1.00 31.00 H new ATOM 0 HA VAL A 8 1.775 -6.937 0.474 1.00 71.13 H new ATOM 0 HB VAL A 8 0.080 -6.723 3.009 1.00 72.22 H new ATOM 0 HG11 VAL A 8 1.797 -8.135 4.097 1.00 5.33 H new ATOM 0 HG12 VAL A 8 0.960 -8.986 2.777 1.00 5.33 H new ATOM 0 HG13 VAL A 8 2.603 -8.351 2.525 1.00 5.33 H new ATOM 0 HG21 VAL A 8 2.077 -5.650 4.041 1.00 43.44 H new ATOM 0 HG22 VAL A 8 2.892 -5.671 2.459 1.00 43.44 H new ATOM 0 HG23 VAL A 8 1.424 -4.692 2.691 1.00 43.44 H new ATOM 124 N SER A 9 0.306 -8.802 -0.405 1.00 71.22 N ATOM 125 CA SER A 9 -0.433 -10.007 -0.822 1.00 32.42 C ATOM 126 C SER A 9 0.544 -11.126 -1.187 1.00 14.51 C ATOM 127 O SER A 9 1.502 -10.881 -1.901 1.00 41.04 O ATOM 128 CB SER A 9 -1.354 -9.702 -2.016 1.00 53.12 C ATOM 129 OG SER A 9 -2.105 -10.847 -2.374 1.00 25.00 O ATOM 0 H SER A 9 1.168 -8.647 -0.928 1.00 71.22 H new ATOM 0 HA SER A 9 -1.052 -10.332 0.014 1.00 32.42 H new ATOM 0 HB2 SER A 9 -2.028 -8.884 -1.762 1.00 53.12 H new ATOM 0 HB3 SER A 9 -0.758 -9.372 -2.866 1.00 53.12 H new ATOM 0 HG SER A 9 -2.759 -11.043 -1.671 1.00 25.00 H new ATOM 135 N ARG A 10 0.267 -12.354 -0.726 1.00 63.22 N ATOM 136 CA ARG A 10 1.167 -13.515 -0.907 1.00 73.12 C ATOM 137 C ARG A 10 1.060 -14.092 -2.334 1.00 62.23 C ATOM 138 O ARG A 10 2.016 -14.698 -2.844 1.00 41.20 O ATOM 139 CB ARG A 10 0.809 -14.586 0.149 1.00 72.33 C ATOM 140 CG ARG A 10 1.696 -15.850 0.168 1.00 32.23 C ATOM 141 CD ARG A 10 1.235 -16.848 1.246 1.00 32.12 C ATOM 142 NE ARG A 10 1.158 -16.211 2.580 1.00 70.23 N ATOM 143 CZ ARG A 10 0.155 -16.347 3.466 1.00 33.22 C ATOM 144 NH1 ARG A 10 -0.907 -17.108 3.207 1.00 5.23 N ATOM 145 NH2 ARG A 10 0.217 -15.701 4.614 1.00 34.43 N ATOM 0 H ARG A 10 -0.588 -12.576 -0.215 1.00 63.22 H new ATOM 0 HA ARG A 10 2.200 -13.194 -0.771 1.00 73.12 H new ATOM 0 HB2 ARG A 10 0.852 -14.123 1.135 1.00 72.33 H new ATOM 0 HB3 ARG A 10 -0.224 -14.895 -0.013 1.00 72.33 H new ATOM 0 HG2 ARG A 10 1.667 -16.330 -0.810 1.00 32.23 H new ATOM 0 HG3 ARG A 10 2.732 -15.566 0.353 1.00 32.23 H new ATOM 0 HD2 ARG A 10 0.258 -17.250 0.977 1.00 32.12 H new ATOM 0 HD3 ARG A 10 1.927 -17.690 1.283 1.00 32.12 H new ATOM 0 HE ARG A 10 1.938 -15.613 2.853 1.00 70.23 H new ATOM 0 HH11 ARG A 10 -0.974 -17.605 2.319 1.00 5.23 H new ATOM 0 HH12 ARG A 10 -1.654 -17.194 3.897 1.00 5.23 H new ATOM 0 HH21 ARG A 10 1.019 -15.106 4.822 1.00 34.43 H new ATOM 0 HH22 ARG A 10 -0.537 -15.796 5.294 1.00 34.43 H new ATOM 159 N ASP A 11 -0.106 -13.889 -2.965 1.00 15.11 N ATOM 160 CA ASP A 11 -0.412 -14.392 -4.317 1.00 64.53 C ATOM 161 C ASP A 11 -0.151 -13.296 -5.375 1.00 21.35 C ATOM 162 O ASP A 11 -0.758 -12.227 -5.295 1.00 14.02 O ATOM 163 CB ASP A 11 -1.890 -14.852 -4.358 1.00 52.43 C ATOM 164 CG ASP A 11 -2.319 -15.361 -5.746 1.00 44.22 C ATOM 165 OD1 ASP A 11 -1.987 -16.514 -6.098 1.00 0.11 O ATOM 166 OD2 ASP A 11 -2.977 -14.607 -6.490 1.00 23.21 O ATOM 0 H ASP A 11 -0.874 -13.364 -2.547 1.00 15.11 H new ATOM 0 HA ASP A 11 0.237 -15.237 -4.548 1.00 64.53 H new ATOM 0 HB2 ASP A 11 -2.040 -15.644 -3.624 1.00 52.43 H new ATOM 0 HB3 ASP A 11 -2.532 -14.021 -4.066 1.00 52.43 H new ATOM 171 N GLU A 12 0.714 -13.601 -6.383 1.00 34.15 N ATOM 172 CA GLU A 12 1.145 -12.641 -7.444 1.00 5.12 C ATOM 173 C GLU A 12 -0.040 -12.049 -8.221 1.00 61.11 C ATOM 174 O GLU A 12 -0.032 -10.858 -8.566 1.00 74.23 O ATOM 175 CB GLU A 12 2.093 -13.318 -8.473 1.00 31.51 C ATOM 176 CG GLU A 12 3.405 -13.856 -7.901 1.00 42.44 C ATOM 177 CD GLU A 12 4.395 -14.289 -8.993 1.00 54.44 C ATOM 178 OE1 GLU A 12 5.314 -13.502 -9.327 1.00 44.13 O ATOM 179 OE2 GLU A 12 4.235 -15.402 -9.542 1.00 61.54 O ATOM 0 H GLU A 12 1.135 -14.525 -6.484 1.00 34.15 H new ATOM 0 HA GLU A 12 1.665 -11.842 -6.915 1.00 5.12 H new ATOM 0 HB2 GLU A 12 1.558 -14.141 -8.947 1.00 31.51 H new ATOM 0 HB3 GLU A 12 2.326 -12.596 -9.256 1.00 31.51 H new ATOM 0 HG2 GLU A 12 3.868 -13.089 -7.281 1.00 42.44 H new ATOM 0 HG3 GLU A 12 3.192 -14.705 -7.252 1.00 42.44 H new ATOM 186 N ARG A 13 -1.036 -12.909 -8.498 1.00 12.22 N ATOM 187 CA ARG A 13 -2.199 -12.550 -9.321 1.00 74.55 C ATOM 188 C ARG A 13 -3.028 -11.434 -8.666 1.00 25.02 C ATOM 189 O ARG A 13 -3.585 -10.600 -9.368 1.00 5.22 O ATOM 190 CB ARG A 13 -3.081 -13.791 -9.616 1.00 34.33 C ATOM 191 CG ARG A 13 -2.374 -14.914 -10.403 1.00 75.13 C ATOM 192 CD ARG A 13 -1.892 -14.448 -11.787 1.00 23.32 C ATOM 193 NE ARG A 13 -1.258 -15.516 -12.567 1.00 35.41 N ATOM 194 CZ ARG A 13 -0.494 -15.317 -13.652 1.00 55.04 C ATOM 195 NH1 ARG A 13 -0.242 -14.084 -14.107 1.00 50.31 N ATOM 196 NH2 ARG A 13 0.002 -16.363 -14.289 1.00 0.52 N ATOM 0 H ARG A 13 -1.055 -13.870 -8.157 1.00 12.22 H new ATOM 0 HA ARG A 13 -1.821 -12.170 -10.270 1.00 74.55 H new ATOM 0 HB2 ARG A 13 -3.438 -14.199 -8.670 1.00 34.33 H new ATOM 0 HB3 ARG A 13 -3.959 -13.470 -10.177 1.00 34.33 H new ATOM 0 HG2 ARG A 13 -1.522 -15.276 -9.828 1.00 75.13 H new ATOM 0 HG3 ARG A 13 -3.057 -15.755 -10.524 1.00 75.13 H new ATOM 0 HD2 ARG A 13 -2.740 -14.053 -12.346 1.00 23.32 H new ATOM 0 HD3 ARG A 13 -1.184 -13.629 -11.661 1.00 23.32 H new ATOM 0 HE ARG A 13 -1.408 -16.478 -12.263 1.00 35.41 H new ATOM 0 HH11 ARG A 13 -0.633 -13.273 -13.627 1.00 50.31 H new ATOM 0 HH12 ARG A 13 0.341 -13.955 -14.934 1.00 50.31 H new ATOM 0 HH21 ARG A 13 -0.198 -17.306 -13.954 1.00 0.52 H new ATOM 0 HH22 ARG A 13 0.584 -16.228 -15.115 1.00 0.52 H new ATOM 210 N ILE A 14 -3.092 -11.418 -7.322 1.00 11.23 N ATOM 211 CA ILE A 14 -3.806 -10.365 -6.574 1.00 31.54 C ATOM 212 C ILE A 14 -3.114 -8.988 -6.777 1.00 14.24 C ATOM 213 O ILE A 14 -3.800 -7.995 -7.035 1.00 74.11 O ATOM 214 CB ILE A 14 -3.941 -10.723 -5.041 1.00 53.15 C ATOM 215 CG1 ILE A 14 -4.728 -12.072 -4.854 1.00 41.01 C ATOM 216 CG2 ILE A 14 -4.624 -9.573 -4.248 1.00 33.32 C ATOM 217 CD1 ILE A 14 -4.877 -12.544 -3.411 1.00 40.35 C ATOM 0 H ILE A 14 -2.656 -12.125 -6.729 1.00 11.23 H new ATOM 0 HA ILE A 14 -4.818 -10.300 -6.973 1.00 31.54 H new ATOM 0 HB ILE A 14 -2.936 -10.851 -4.639 1.00 53.15 H new ATOM 0 HG12 ILE A 14 -5.722 -11.957 -5.286 1.00 41.01 H new ATOM 0 HG13 ILE A 14 -4.221 -12.851 -5.424 1.00 41.01 H new ATOM 0 HG21 ILE A 14 -4.701 -9.852 -3.197 1.00 33.32 H new ATOM 0 HG22 ILE A 14 -4.029 -8.664 -4.340 1.00 33.32 H new ATOM 0 HG23 ILE A 14 -5.621 -9.396 -4.651 1.00 33.32 H new ATOM 0 HD11 ILE A 14 -5.434 -13.481 -3.390 1.00 40.35 H new ATOM 0 HD12 ILE A 14 -3.890 -12.699 -2.975 1.00 40.35 H new ATOM 0 HD13 ILE A 14 -5.414 -11.790 -2.835 1.00 40.35 H new ATOM 229 N LEU A 15 -1.753 -8.955 -6.719 1.00 35.12 N ATOM 230 CA LEU A 15 -0.963 -7.698 -6.904 1.00 55.21 C ATOM 231 C LEU A 15 -1.238 -7.052 -8.281 1.00 51.23 C ATOM 232 O LEU A 15 -1.468 -5.839 -8.367 1.00 1.13 O ATOM 233 CB LEU A 15 0.584 -7.913 -6.752 1.00 21.52 C ATOM 234 CG LEU A 15 1.150 -8.225 -5.319 1.00 1.52 C ATOM 235 CD1 LEU A 15 0.597 -7.261 -4.240 1.00 62.35 C ATOM 236 CD2 LEU A 15 0.947 -9.697 -4.929 1.00 50.42 C ATOM 0 H LEU A 15 -1.179 -9.781 -6.546 1.00 35.12 H new ATOM 0 HA LEU A 15 -1.296 -7.033 -6.107 1.00 55.21 H new ATOM 0 HB2 LEU A 15 0.873 -8.732 -7.411 1.00 21.52 H new ATOM 0 HB3 LEU A 15 1.083 -7.017 -7.120 1.00 21.52 H new ATOM 0 HG LEU A 15 2.225 -8.051 -5.368 1.00 1.52 H new ATOM 0 HD11 LEU A 15 1.020 -7.520 -3.269 1.00 62.35 H new ATOM 0 HD12 LEU A 15 0.870 -6.237 -4.493 1.00 62.35 H new ATOM 0 HD13 LEU A 15 -0.489 -7.347 -4.198 1.00 62.35 H new ATOM 0 HD21 LEU A 15 1.353 -9.868 -3.932 1.00 50.42 H new ATOM 0 HD22 LEU A 15 -0.118 -9.931 -4.933 1.00 50.42 H new ATOM 0 HD23 LEU A 15 1.462 -10.337 -5.645 1.00 50.42 H new ATOM 248 N GLU A 16 -1.209 -7.877 -9.348 1.00 22.41 N ATOM 249 CA GLU A 16 -1.349 -7.393 -10.741 1.00 15.23 C ATOM 250 C GLU A 16 -2.796 -6.938 -11.043 1.00 10.44 C ATOM 251 O GLU A 16 -3.000 -6.027 -11.857 1.00 61.14 O ATOM 252 CB GLU A 16 -0.870 -8.468 -11.758 1.00 20.51 C ATOM 253 CG GLU A 16 -1.694 -9.766 -11.783 1.00 34.24 C ATOM 254 CD GLU A 16 -1.202 -10.785 -12.821 1.00 44.03 C ATOM 255 OE1 GLU A 16 -0.279 -11.564 -12.514 1.00 2.42 O ATOM 256 OE2 GLU A 16 -1.753 -10.822 -13.945 1.00 71.32 O ATOM 0 H GLU A 16 -1.089 -8.887 -9.272 1.00 22.41 H new ATOM 0 HA GLU A 16 -0.706 -6.520 -10.851 1.00 15.23 H new ATOM 0 HB2 GLU A 16 -0.883 -8.030 -12.756 1.00 20.51 H new ATOM 0 HB3 GLU A 16 0.166 -8.720 -11.533 1.00 20.51 H new ATOM 0 HG2 GLU A 16 -1.665 -10.224 -10.794 1.00 34.24 H new ATOM 0 HG3 GLU A 16 -2.736 -9.522 -11.991 1.00 34.24 H new ATOM 263 N GLU A 17 -3.794 -7.560 -10.371 1.00 72.55 N ATOM 264 CA GLU A 17 -5.209 -7.136 -10.488 1.00 14.51 C ATOM 265 C GLU A 17 -5.406 -5.758 -9.852 1.00 31.31 C ATOM 266 O GLU A 17 -6.116 -4.913 -10.398 1.00 13.05 O ATOM 267 CB GLU A 17 -6.180 -8.163 -9.838 1.00 64.21 C ATOM 268 CG GLU A 17 -6.231 -9.528 -10.548 1.00 34.44 C ATOM 269 CD GLU A 17 -6.512 -9.417 -12.053 1.00 0.22 C ATOM 270 OE1 GLU A 17 -7.659 -9.121 -12.435 1.00 23.53 O ATOM 271 OE2 GLU A 17 -5.582 -9.616 -12.866 1.00 14.23 O ATOM 0 H GLU A 17 -3.646 -8.352 -9.746 1.00 72.55 H new ATOM 0 HA GLU A 17 -5.444 -7.083 -11.551 1.00 14.51 H new ATOM 0 HB2 GLU A 17 -5.884 -8.318 -8.800 1.00 64.21 H new ATOM 0 HB3 GLU A 17 -7.183 -7.737 -9.823 1.00 64.21 H new ATOM 0 HG2 GLU A 17 -5.282 -10.043 -10.399 1.00 34.44 H new ATOM 0 HG3 GLU A 17 -7.003 -10.142 -10.085 1.00 34.44 H new ATOM 278 N LEU A 18 -4.747 -5.548 -8.701 1.00 35.15 N ATOM 279 CA LEU A 18 -4.800 -4.279 -7.961 1.00 4.40 C ATOM 280 C LEU A 18 -4.041 -3.170 -8.708 1.00 41.11 C ATOM 281 O LEU A 18 -4.446 -2.007 -8.655 1.00 3.31 O ATOM 282 CB LEU A 18 -4.264 -4.486 -6.519 1.00 14.41 C ATOM 283 CG LEU A 18 -5.121 -5.449 -5.634 1.00 31.45 C ATOM 284 CD1 LEU A 18 -4.510 -5.658 -4.234 1.00 72.22 C ATOM 285 CD2 LEU A 18 -6.568 -4.944 -5.540 1.00 32.03 C ATOM 0 H LEU A 18 -4.162 -6.256 -8.257 1.00 35.15 H new ATOM 0 HA LEU A 18 -5.837 -3.953 -7.890 1.00 4.40 H new ATOM 0 HB2 LEU A 18 -3.248 -4.876 -6.576 1.00 14.41 H new ATOM 0 HB3 LEU A 18 -4.206 -3.516 -6.025 1.00 14.41 H new ATOM 0 HG LEU A 18 -5.123 -6.425 -6.120 1.00 31.45 H new ATOM 0 HD11 LEU A 18 -5.142 -6.334 -3.658 1.00 72.22 H new ATOM 0 HD12 LEU A 18 -3.513 -6.088 -4.332 1.00 72.22 H new ATOM 0 HD13 LEU A 18 -4.442 -4.699 -3.720 1.00 72.22 H new ATOM 0 HD21 LEU A 18 -7.152 -5.625 -4.921 1.00 32.03 H new ATOM 0 HD22 LEU A 18 -6.578 -3.949 -5.094 1.00 32.03 H new ATOM 0 HD23 LEU A 18 -7.003 -4.898 -6.538 1.00 32.03 H new ATOM 297 N LEU A 19 -2.965 -3.560 -9.433 1.00 30.22 N ATOM 298 CA LEU A 19 -2.197 -2.650 -10.311 1.00 11.31 C ATOM 299 C LEU A 19 -3.104 -2.079 -11.408 1.00 41.04 C ATOM 300 O LEU A 19 -3.095 -0.867 -11.657 1.00 5.14 O ATOM 301 CB LEU A 19 -0.970 -3.381 -10.933 1.00 24.04 C ATOM 302 CG LEU A 19 -0.112 -2.552 -11.954 1.00 50.32 C ATOM 303 CD1 LEU A 19 0.489 -1.281 -11.309 1.00 61.41 C ATOM 304 CD2 LEU A 19 0.986 -3.422 -12.600 1.00 14.22 C ATOM 0 H LEU A 19 -2.607 -4.515 -9.424 1.00 30.22 H new ATOM 0 HA LEU A 19 -1.822 -1.824 -9.706 1.00 11.31 H new ATOM 0 HB2 LEU A 19 -0.318 -3.706 -10.122 1.00 24.04 H new ATOM 0 HB3 LEU A 19 -1.326 -4.280 -11.436 1.00 24.04 H new ATOM 0 HG LEU A 19 -0.787 -2.223 -12.744 1.00 50.32 H new ATOM 0 HD11 LEU A 19 1.075 -0.738 -12.051 1.00 61.41 H new ATOM 0 HD12 LEU A 19 -0.316 -0.643 -10.944 1.00 61.41 H new ATOM 0 HD13 LEU A 19 1.132 -1.565 -10.476 1.00 61.41 H new ATOM 0 HD21 LEU A 19 1.562 -2.819 -13.302 1.00 14.22 H new ATOM 0 HD22 LEU A 19 1.648 -3.808 -11.825 1.00 14.22 H new ATOM 0 HD23 LEU A 19 0.525 -4.255 -13.131 1.00 14.22 H new ATOM 316 N GLU A 20 -3.906 -2.972 -12.019 1.00 4.42 N ATOM 317 CA GLU A 20 -4.905 -2.596 -13.027 1.00 31.11 C ATOM 318 C GLU A 20 -5.870 -1.532 -12.485 1.00 20.53 C ATOM 319 O GLU A 20 -6.060 -0.501 -13.126 1.00 44.23 O ATOM 320 CB GLU A 20 -5.678 -3.856 -13.516 1.00 25.25 C ATOM 321 CG GLU A 20 -4.904 -4.727 -14.526 1.00 0.04 C ATOM 322 CD GLU A 20 -4.764 -4.055 -15.912 1.00 5.32 C ATOM 323 OE1 GLU A 20 -3.816 -3.268 -16.126 1.00 72.11 O ATOM 324 OE2 GLU A 20 -5.617 -4.305 -16.794 1.00 53.22 O ATOM 0 H GLU A 20 -3.876 -3.973 -11.825 1.00 4.42 H new ATOM 0 HA GLU A 20 -4.383 -2.159 -13.878 1.00 31.11 H new ATOM 0 HB2 GLU A 20 -5.936 -4.467 -12.651 1.00 25.25 H new ATOM 0 HB3 GLU A 20 -6.615 -3.538 -13.973 1.00 25.25 H new ATOM 0 HG2 GLU A 20 -3.912 -4.941 -14.129 1.00 0.04 H new ATOM 0 HG3 GLU A 20 -5.415 -5.683 -14.641 1.00 0.04 H new ATOM 331 N VAL A 21 -6.404 -1.771 -11.269 1.00 3.32 N ATOM 332 CA VAL A 21 -7.405 -0.885 -10.633 1.00 53.14 C ATOM 333 C VAL A 21 -6.875 0.550 -10.493 1.00 53.30 C ATOM 334 O VAL A 21 -7.603 1.511 -10.778 1.00 54.12 O ATOM 335 CB VAL A 21 -7.836 -1.415 -9.220 1.00 53.21 C ATOM 336 CG1 VAL A 21 -8.933 -0.529 -8.576 1.00 42.53 C ATOM 337 CG2 VAL A 21 -8.294 -2.879 -9.307 1.00 21.10 C ATOM 0 H VAL A 21 -6.155 -2.581 -10.701 1.00 3.32 H new ATOM 0 HA VAL A 21 -8.276 -0.883 -11.288 1.00 53.14 H new ATOM 0 HB VAL A 21 -6.961 -1.363 -8.572 1.00 53.21 H new ATOM 0 HG11 VAL A 21 -9.200 -0.933 -7.600 1.00 42.53 H new ATOM 0 HG12 VAL A 21 -8.557 0.487 -8.457 1.00 42.53 H new ATOM 0 HG13 VAL A 21 -9.814 -0.517 -9.218 1.00 42.53 H new ATOM 0 HG21 VAL A 21 -8.589 -3.228 -8.317 1.00 21.10 H new ATOM 0 HG22 VAL A 21 -9.143 -2.955 -9.986 1.00 21.10 H new ATOM 0 HG23 VAL A 21 -7.475 -3.495 -9.680 1.00 21.10 H new ATOM 347 N VAL A 22 -5.594 0.673 -10.082 1.00 33.35 N ATOM 348 CA VAL A 22 -4.942 1.984 -9.907 1.00 45.02 C ATOM 349 C VAL A 22 -4.901 2.736 -11.250 1.00 71.10 C ATOM 350 O VAL A 22 -5.254 3.906 -11.317 1.00 43.33 O ATOM 351 CB VAL A 22 -3.470 1.878 -9.352 1.00 52.20 C ATOM 352 CG1 VAL A 22 -2.924 3.277 -8.997 1.00 63.54 C ATOM 353 CG2 VAL A 22 -3.375 0.930 -8.145 1.00 5.32 C ATOM 0 H VAL A 22 -4.993 -0.122 -9.866 1.00 33.35 H new ATOM 0 HA VAL A 22 -5.539 2.523 -9.171 1.00 45.02 H new ATOM 0 HB VAL A 22 -2.852 1.452 -10.143 1.00 52.20 H new ATOM 0 HG11 VAL A 22 -1.907 3.185 -8.616 1.00 63.54 H new ATOM 0 HG12 VAL A 22 -2.922 3.904 -9.889 1.00 63.54 H new ATOM 0 HG13 VAL A 22 -3.557 3.732 -8.235 1.00 63.54 H new ATOM 0 HG21 VAL A 22 -2.343 0.888 -7.796 1.00 5.32 H new ATOM 0 HG22 VAL A 22 -4.015 1.297 -7.343 1.00 5.32 H new ATOM 0 HG23 VAL A 22 -3.699 -0.068 -8.440 1.00 5.32 H new ATOM 363 N LEU A 23 -4.512 2.007 -12.315 1.00 64.13 N ATOM 364 CA LEU A 23 -4.329 2.575 -13.664 1.00 55.34 C ATOM 365 C LEU A 23 -5.667 3.033 -14.284 1.00 3.14 C ATOM 366 O LEU A 23 -5.689 4.003 -15.049 1.00 72.32 O ATOM 367 CB LEU A 23 -3.629 1.539 -14.585 1.00 71.43 C ATOM 368 CG LEU A 23 -2.216 1.056 -14.117 1.00 60.14 C ATOM 369 CD1 LEU A 23 -1.676 -0.066 -15.030 1.00 4.54 C ATOM 370 CD2 LEU A 23 -1.213 2.233 -14.015 1.00 63.21 C ATOM 0 H LEU A 23 -4.316 1.007 -12.263 1.00 64.13 H new ATOM 0 HA LEU A 23 -3.698 3.459 -13.570 1.00 55.34 H new ATOM 0 HB2 LEU A 23 -4.277 0.668 -14.678 1.00 71.43 H new ATOM 0 HB3 LEU A 23 -3.533 1.973 -15.580 1.00 71.43 H new ATOM 0 HG LEU A 23 -2.330 0.641 -13.115 1.00 60.14 H new ATOM 0 HD11 LEU A 23 -0.693 -0.380 -14.678 1.00 4.54 H new ATOM 0 HD12 LEU A 23 -2.358 -0.916 -15.005 1.00 4.54 H new ATOM 0 HD13 LEU A 23 -1.595 0.304 -16.052 1.00 4.54 H new ATOM 0 HD21 LEU A 23 -0.244 1.858 -13.687 1.00 63.21 H new ATOM 0 HD22 LEU A 23 -1.108 2.707 -14.991 1.00 63.21 H new ATOM 0 HD23 LEU A 23 -1.581 2.964 -13.295 1.00 63.21 H new ATOM 382 N LYS A 24 -6.777 2.324 -13.961 1.00 3.51 N ATOM 383 CA LYS A 24 -8.127 2.679 -14.478 1.00 22.40 C ATOM 384 C LYS A 24 -8.664 3.920 -13.733 1.00 64.04 C ATOM 385 O LYS A 24 -9.352 4.761 -14.324 1.00 74.35 O ATOM 386 CB LYS A 24 -9.155 1.506 -14.328 1.00 0.42 C ATOM 387 CG LYS A 24 -8.653 0.096 -14.708 1.00 61.45 C ATOM 388 CD LYS A 24 -7.996 -0.009 -16.108 1.00 21.21 C ATOM 389 CE LYS A 24 -7.426 -1.419 -16.355 1.00 11.54 C ATOM 390 NZ LYS A 24 -6.768 -1.550 -17.682 1.00 63.51 N ATOM 0 H LYS A 24 -6.767 1.508 -13.349 1.00 3.51 H new ATOM 0 HA LYS A 24 -8.016 2.890 -15.542 1.00 22.40 H new ATOM 0 HB2 LYS A 24 -9.494 1.480 -13.292 1.00 0.42 H new ATOM 0 HB3 LYS A 24 -10.026 1.735 -14.942 1.00 0.42 H new ATOM 0 HG2 LYS A 24 -7.932 -0.231 -13.959 1.00 61.45 H new ATOM 0 HG3 LYS A 24 -9.493 -0.597 -14.665 1.00 61.45 H new ATOM 0 HD2 LYS A 24 -8.732 0.228 -16.876 1.00 21.21 H new ATOM 0 HD3 LYS A 24 -7.198 0.728 -16.194 1.00 21.21 H new ATOM 0 HE2 LYS A 24 -6.706 -1.657 -15.572 1.00 11.54 H new ATOM 0 HE3 LYS A 24 -8.231 -2.150 -16.280 1.00 11.54 H new ATOM 0 HZ1 LYS A 24 -6.244 -2.448 -17.723 1.00 63.51 H new ATOM 0 HZ2 LYS A 24 -7.490 -1.536 -18.430 1.00 63.51 H new ATOM 0 HZ3 LYS A 24 -6.109 -0.758 -17.822 1.00 63.51 H new ATOM 404 N SER A 25 -8.344 3.998 -12.421 1.00 14.31 N ATOM 405 CA SER A 25 -8.742 5.115 -11.547 1.00 62.23 C ATOM 406 C SER A 25 -7.964 6.391 -11.925 1.00 55.04 C ATOM 407 O SER A 25 -8.548 7.360 -12.416 1.00 33.54 O ATOM 408 CB SER A 25 -8.507 4.738 -10.065 1.00 34.35 C ATOM 409 OG SER A 25 -9.292 3.621 -9.679 1.00 13.11 O ATOM 0 H SER A 25 -7.799 3.282 -11.941 1.00 14.31 H new ATOM 0 HA SER A 25 -9.805 5.315 -11.684 1.00 62.23 H new ATOM 0 HB2 SER A 25 -7.452 4.513 -9.909 1.00 34.35 H new ATOM 0 HB3 SER A 25 -8.749 5.590 -9.430 1.00 34.35 H new ATOM 0 HG SER A 25 -8.857 2.796 -9.981 1.00 13.11 H new ATOM 415 N ASP A 26 -6.639 6.364 -11.707 1.00 11.22 N ATOM 416 CA ASP A 26 -5.723 7.454 -12.082 1.00 51.41 C ATOM 417 C ASP A 26 -4.406 6.841 -12.620 1.00 50.45 C ATOM 418 O ASP A 26 -3.647 6.236 -11.852 1.00 31.12 O ATOM 419 CB ASP A 26 -5.451 8.386 -10.868 1.00 31.03 C ATOM 420 CG ASP A 26 -4.617 9.642 -11.233 1.00 52.14 C ATOM 421 OD1 ASP A 26 -5.212 10.674 -11.617 1.00 24.42 O ATOM 422 OD2 ASP A 26 -3.372 9.610 -11.118 1.00 45.30 O ATOM 0 H ASP A 26 -6.169 5.577 -11.261 1.00 11.22 H new ATOM 0 HA ASP A 26 -6.180 8.062 -12.863 1.00 51.41 H new ATOM 0 HB2 ASP A 26 -6.403 8.702 -10.441 1.00 31.03 H new ATOM 0 HB3 ASP A 26 -4.927 7.822 -10.096 1.00 31.03 H new ATOM 427 N PRO A 27 -4.116 6.966 -13.959 1.00 33.11 N ATOM 428 CA PRO A 27 -2.910 6.349 -14.582 1.00 73.31 C ATOM 429 C PRO A 27 -1.600 7.090 -14.240 1.00 55.30 C ATOM 430 O PRO A 27 -0.504 6.585 -14.519 1.00 1.24 O ATOM 431 CB PRO A 27 -3.227 6.440 -16.093 1.00 2.12 C ATOM 432 CG PRO A 27 -4.072 7.673 -16.224 1.00 61.12 C ATOM 433 CD PRO A 27 -4.932 7.708 -14.974 1.00 64.24 C ATOM 0 HA PRO A 27 -2.734 5.335 -14.223 1.00 73.31 H new ATOM 0 HB2 PRO A 27 -2.316 6.518 -16.686 1.00 2.12 H new ATOM 0 HB3 PRO A 27 -3.759 5.555 -16.441 1.00 2.12 H new ATOM 0 HG2 PRO A 27 -3.453 8.567 -16.300 1.00 61.12 H new ATOM 0 HG3 PRO A 27 -4.687 7.634 -17.123 1.00 61.12 H new ATOM 0 HD2 PRO A 27 -5.134 8.731 -14.655 1.00 64.24 H new ATOM 0 HD3 PRO A 27 -5.897 7.229 -15.139 1.00 64.24 H new ATOM 441 N ASN A 28 -1.732 8.288 -13.646 1.00 11.51 N ATOM 442 CA ASN A 28 -0.596 9.169 -13.317 1.00 55.22 C ATOM 443 C ASN A 28 0.009 8.826 -11.940 1.00 41.43 C ATOM 444 O ASN A 28 1.035 9.400 -11.554 1.00 33.31 O ATOM 445 CB ASN A 28 -1.069 10.646 -13.350 1.00 54.45 C ATOM 446 CG ASN A 28 -1.606 11.072 -14.720 1.00 43.32 C ATOM 447 OD1 ASN A 28 -2.785 10.881 -15.024 1.00 45.23 O ATOM 448 ND2 ASN A 28 -0.755 11.677 -15.545 1.00 12.24 N ATOM 0 H ASN A 28 -2.636 8.676 -13.378 1.00 11.51 H new ATOM 0 HA ASN A 28 0.187 9.017 -14.060 1.00 55.22 H new ATOM 0 HB2 ASN A 28 -1.847 10.789 -12.600 1.00 54.45 H new ATOM 0 HB3 ASN A 28 -0.237 11.294 -13.074 1.00 54.45 H new ATOM 0 HD21 ASN A 28 -1.072 11.998 -16.460 1.00 12.24 H new ATOM 0 HD22 ASN A 28 0.215 11.820 -15.263 1.00 12.24 H new ATOM 455 N VAL A 29 -0.638 7.908 -11.200 1.00 4.10 N ATOM 456 CA VAL A 29 -0.153 7.442 -9.890 1.00 34.04 C ATOM 457 C VAL A 29 1.170 6.681 -10.039 1.00 1.33 C ATOM 458 O VAL A 29 1.281 5.776 -10.876 1.00 65.04 O ATOM 459 CB VAL A 29 -1.212 6.527 -9.176 1.00 44.54 C ATOM 460 CG1 VAL A 29 -0.690 5.959 -7.829 1.00 42.32 C ATOM 461 CG2 VAL A 29 -2.522 7.291 -8.968 1.00 51.03 C ATOM 0 H VAL A 29 -1.511 7.469 -11.493 1.00 4.10 H new ATOM 0 HA VAL A 29 0.010 8.326 -9.273 1.00 34.04 H new ATOM 0 HB VAL A 29 -1.396 5.675 -9.830 1.00 44.54 H new ATOM 0 HG11 VAL A 29 -1.459 5.334 -7.375 1.00 42.32 H new ATOM 0 HG12 VAL A 29 0.204 5.362 -8.008 1.00 42.32 H new ATOM 0 HG13 VAL A 29 -0.448 6.782 -7.156 1.00 42.32 H new ATOM 0 HG21 VAL A 29 -3.246 6.644 -8.472 1.00 51.03 H new ATOM 0 HG22 VAL A 29 -2.337 8.169 -8.349 1.00 51.03 H new ATOM 0 HG23 VAL A 29 -2.918 7.605 -9.934 1.00 51.03 H new ATOM 471 N LYS A 30 2.158 7.079 -9.229 1.00 30.25 N ATOM 472 CA LYS A 30 3.439 6.388 -9.108 1.00 3.22 C ATOM 473 C LYS A 30 3.203 4.974 -8.524 1.00 3.11 C ATOM 474 O LYS A 30 2.825 4.836 -7.373 1.00 14.20 O ATOM 475 CB LYS A 30 4.375 7.253 -8.208 1.00 4.52 C ATOM 476 CG LYS A 30 5.716 6.608 -7.797 1.00 52.53 C ATOM 477 CD LYS A 30 6.611 6.216 -8.989 1.00 12.23 C ATOM 478 CE LYS A 30 7.930 5.589 -8.522 1.00 32.55 C ATOM 479 NZ LYS A 30 8.810 5.221 -9.659 1.00 41.35 N ATOM 0 H LYS A 30 2.085 7.903 -8.632 1.00 30.25 H new ATOM 0 HA LYS A 30 3.918 6.261 -10.079 1.00 3.22 H new ATOM 0 HB2 LYS A 30 4.590 8.184 -8.733 1.00 4.52 H new ATOM 0 HB3 LYS A 30 3.830 7.517 -7.302 1.00 4.52 H new ATOM 0 HG2 LYS A 30 6.262 7.303 -7.158 1.00 52.53 H new ATOM 0 HG3 LYS A 30 5.513 5.719 -7.200 1.00 52.53 H new ATOM 0 HD2 LYS A 30 6.079 5.512 -9.628 1.00 12.23 H new ATOM 0 HD3 LYS A 30 6.821 7.099 -9.593 1.00 12.23 H new ATOM 0 HE2 LYS A 30 8.453 6.290 -7.872 1.00 32.55 H new ATOM 0 HE3 LYS A 30 7.717 4.701 -7.927 1.00 32.55 H new ATOM 0 HZ1 LYS A 30 9.579 4.610 -9.319 1.00 41.35 H new ATOM 0 HZ2 LYS A 30 8.255 4.712 -10.377 1.00 41.35 H new ATOM 0 HZ3 LYS A 30 9.213 6.083 -10.079 1.00 41.35 H new ATOM 493 N THR A 31 3.366 3.934 -9.350 1.00 2.34 N ATOM 494 CA THR A 31 3.160 2.533 -8.929 1.00 34.54 C ATOM 495 C THR A 31 4.388 1.698 -9.280 1.00 0.43 C ATOM 496 O THR A 31 4.941 1.823 -10.383 1.00 34.41 O ATOM 497 CB THR A 31 1.885 1.904 -9.584 1.00 52.34 C ATOM 498 OG1 THR A 31 1.926 2.069 -11.007 1.00 31.44 O ATOM 499 CG2 THR A 31 0.586 2.514 -9.040 1.00 4.44 C ATOM 0 H THR A 31 3.643 4.033 -10.327 1.00 2.34 H new ATOM 0 HA THR A 31 3.010 2.534 -7.849 1.00 34.54 H new ATOM 0 HB THR A 31 1.889 0.844 -9.329 1.00 52.34 H new ATOM 0 HG1 THR A 31 1.124 1.670 -11.406 1.00 31.44 H new ATOM 0 HG21 THR A 31 -0.269 2.044 -9.526 1.00 4.44 H new ATOM 0 HG22 THR A 31 0.528 2.347 -7.964 1.00 4.44 H new ATOM 0 HG23 THR A 31 0.574 3.585 -9.242 1.00 4.44 H new ATOM 507 N VAL A 32 4.814 0.853 -8.321 1.00 3.12 N ATOM 508 CA VAL A 32 6.006 -0.015 -8.450 1.00 53.11 C ATOM 509 C VAL A 32 5.732 -1.349 -7.738 1.00 32.32 C ATOM 510 O VAL A 32 5.134 -1.348 -6.663 1.00 74.54 O ATOM 511 CB VAL A 32 7.305 0.641 -7.801 1.00 24.11 C ATOM 512 CG1 VAL A 32 8.552 -0.260 -7.967 1.00 11.24 C ATOM 513 CG2 VAL A 32 7.580 2.058 -8.348 1.00 3.21 C ATOM 0 H VAL A 32 4.337 0.751 -7.425 1.00 3.12 H new ATOM 0 HA VAL A 32 6.193 -0.159 -9.514 1.00 53.11 H new ATOM 0 HB VAL A 32 7.098 0.734 -6.735 1.00 24.11 H new ATOM 0 HG11 VAL A 32 9.415 0.225 -7.511 1.00 11.24 H new ATOM 0 HG12 VAL A 32 8.375 -1.219 -7.480 1.00 11.24 H new ATOM 0 HG13 VAL A 32 8.746 -0.422 -9.027 1.00 11.24 H new ATOM 0 HG21 VAL A 32 8.475 2.463 -7.876 1.00 3.21 H new ATOM 0 HG22 VAL A 32 7.729 2.009 -9.427 1.00 3.21 H new ATOM 0 HG23 VAL A 32 6.730 2.704 -8.129 1.00 3.21 H new ATOM 523 N ARG A 33 6.182 -2.473 -8.321 1.00 43.02 N ATOM 524 CA ARG A 33 6.204 -3.766 -7.628 1.00 11.45 C ATOM 525 C ARG A 33 7.671 -4.097 -7.312 1.00 33.32 C ATOM 526 O ARG A 33 8.403 -4.626 -8.161 1.00 75.01 O ATOM 527 CB ARG A 33 5.541 -4.905 -8.461 1.00 24.41 C ATOM 528 CG ARG A 33 5.632 -6.294 -7.776 1.00 50.25 C ATOM 529 CD ARG A 33 5.130 -7.470 -8.626 1.00 52.11 C ATOM 530 NE ARG A 33 5.516 -8.753 -8.001 1.00 21.24 N ATOM 531 CZ ARG A 33 5.161 -9.973 -8.423 1.00 33.32 C ATOM 532 NH1 ARG A 33 4.373 -10.135 -9.487 1.00 40.40 N ATOM 533 NH2 ARG A 33 5.643 -11.036 -7.791 1.00 14.43 N ATOM 0 H ARG A 33 6.537 -2.508 -9.277 1.00 43.02 H new ATOM 0 HA ARG A 33 5.616 -3.692 -6.713 1.00 11.45 H new ATOM 0 HB2 ARG A 33 4.493 -4.659 -8.632 1.00 24.41 H new ATOM 0 HB3 ARG A 33 6.019 -4.957 -9.439 1.00 24.41 H new ATOM 0 HG2 ARG A 33 6.671 -6.480 -7.502 1.00 50.25 H new ATOM 0 HG3 ARG A 33 5.059 -6.264 -6.849 1.00 50.25 H new ATOM 0 HD2 ARG A 33 4.046 -7.418 -8.728 1.00 52.11 H new ATOM 0 HD3 ARG A 33 5.548 -7.406 -9.631 1.00 52.11 H new ATOM 0 HE ARG A 33 6.108 -8.704 -7.171 1.00 21.24 H new ATOM 0 HH11 ARG A 33 4.029 -9.321 -9.996 1.00 40.40 H new ATOM 0 HH12 ARG A 33 4.114 -11.073 -9.792 1.00 40.40 H new ATOM 0 HH21 ARG A 33 6.273 -10.916 -6.998 1.00 14.43 H new ATOM 0 HH22 ARG A 33 5.383 -11.973 -8.098 1.00 14.43 H new ATOM 547 N THR A 34 8.124 -3.680 -6.127 1.00 44.42 N ATOM 548 CA THR A 34 9.451 -4.024 -5.606 1.00 73.20 C ATOM 549 C THR A 34 9.300 -4.743 -4.256 1.00 71.52 C ATOM 550 O THR A 34 8.592 -4.264 -3.364 1.00 54.24 O ATOM 551 CB THR A 34 10.385 -2.766 -5.492 1.00 73.43 C ATOM 552 OG1 THR A 34 11.637 -3.129 -4.888 1.00 53.32 O ATOM 553 CG2 THR A 34 9.747 -1.602 -4.712 1.00 21.05 C ATOM 0 H THR A 34 7.578 -3.091 -5.498 1.00 44.42 H new ATOM 0 HA THR A 34 9.936 -4.697 -6.313 1.00 73.20 H new ATOM 0 HB THR A 34 10.549 -2.412 -6.510 1.00 73.43 H new ATOM 0 HG1 THR A 34 12.375 -2.792 -5.437 1.00 53.32 H new ATOM 0 HG21 THR A 34 10.445 -0.766 -4.671 1.00 21.05 H new ATOM 0 HG22 THR A 34 8.832 -1.287 -5.213 1.00 21.05 H new ATOM 0 HG23 THR A 34 9.512 -1.928 -3.699 1.00 21.05 H new ATOM 561 N ASP A 35 9.926 -5.924 -4.140 1.00 44.20 N ATOM 562 CA ASP A 35 9.976 -6.695 -2.877 1.00 32.21 C ATOM 563 C ASP A 35 11.156 -6.240 -2.000 1.00 63.20 C ATOM 564 O ASP A 35 11.259 -6.644 -0.836 1.00 73.10 O ATOM 565 CB ASP A 35 10.031 -8.226 -3.159 1.00 34.53 C ATOM 566 CG ASP A 35 11.191 -8.638 -4.087 1.00 21.43 C ATOM 567 OD1 ASP A 35 12.259 -9.058 -3.593 1.00 33.34 O ATOM 568 OD2 ASP A 35 11.028 -8.538 -5.325 1.00 34.55 O ATOM 0 H ASP A 35 10.413 -6.375 -4.914 1.00 44.20 H new ATOM 0 HA ASP A 35 9.059 -6.496 -2.323 1.00 32.21 H new ATOM 0 HB2 ASP A 35 10.126 -8.759 -2.213 1.00 34.53 H new ATOM 0 HB3 ASP A 35 9.088 -8.539 -3.608 1.00 34.53 H new ATOM 573 N ASP A 36 12.039 -5.394 -2.563 1.00 30.41 N ATOM 574 CA ASP A 36 13.160 -4.804 -1.825 1.00 35.33 C ATOM 575 C ASP A 36 12.653 -3.571 -1.056 1.00 52.24 C ATOM 576 O ASP A 36 12.261 -2.578 -1.675 1.00 2.44 O ATOM 577 CB ASP A 36 14.304 -4.418 -2.796 1.00 23.14 C ATOM 578 CG ASP A 36 15.594 -3.992 -2.059 1.00 62.41 C ATOM 579 OD1 ASP A 36 16.520 -4.823 -1.929 1.00 73.42 O ATOM 580 OD2 ASP A 36 15.677 -2.839 -1.582 1.00 43.41 O ATOM 0 H ASP A 36 11.991 -5.104 -3.540 1.00 30.41 H new ATOM 0 HA ASP A 36 13.559 -5.531 -1.118 1.00 35.33 H new ATOM 0 HB2 ASP A 36 14.525 -5.265 -3.446 1.00 23.14 H new ATOM 0 HB3 ASP A 36 13.971 -3.602 -3.438 1.00 23.14 H new ATOM 585 N LYS A 37 12.672 -3.659 0.290 1.00 42.24 N ATOM 586 CA LYS A 37 12.120 -2.621 1.194 1.00 40.53 C ATOM 587 C LYS A 37 12.821 -1.257 1.030 1.00 50.20 C ATOM 588 O LYS A 37 12.177 -0.217 1.181 1.00 4.21 O ATOM 589 CB LYS A 37 12.167 -3.073 2.692 1.00 63.51 C ATOM 590 CG LYS A 37 13.567 -3.124 3.353 1.00 3.24 C ATOM 591 CD LYS A 37 14.466 -4.267 2.833 1.00 72.31 C ATOM 592 CE LYS A 37 15.827 -4.321 3.540 1.00 32.25 C ATOM 593 NZ LYS A 37 16.665 -5.442 3.041 1.00 54.21 N ATOM 0 H LYS A 37 13.072 -4.455 0.786 1.00 42.24 H new ATOM 0 HA LYS A 37 11.078 -2.494 0.901 1.00 40.53 H new ATOM 0 HB2 LYS A 37 11.540 -2.397 3.273 1.00 63.51 H new ATOM 0 HB3 LYS A 37 11.719 -4.064 2.764 1.00 63.51 H new ATOM 0 HG2 LYS A 37 14.072 -2.173 3.184 1.00 3.24 H new ATOM 0 HG3 LYS A 37 13.445 -3.233 4.431 1.00 3.24 H new ATOM 0 HD2 LYS A 37 13.952 -5.218 2.970 1.00 72.31 H new ATOM 0 HD3 LYS A 37 14.623 -4.141 1.762 1.00 72.31 H new ATOM 0 HE2 LYS A 37 16.353 -3.379 3.388 1.00 32.25 H new ATOM 0 HE3 LYS A 37 15.675 -4.431 4.614 1.00 32.25 H new ATOM 0 HZ1 LYS A 37 17.576 -5.445 3.543 1.00 54.21 H new ATOM 0 HZ2 LYS A 37 16.175 -6.344 3.209 1.00 54.21 H new ATOM 0 HZ3 LYS A 37 16.832 -5.323 2.021 1.00 54.21 H new ATOM 607 N GLU A 38 14.129 -1.273 0.697 1.00 72.22 N ATOM 608 CA GLU A 38 14.938 -0.045 0.556 1.00 2.45 C ATOM 609 C GLU A 38 14.595 0.672 -0.756 1.00 24.03 C ATOM 610 O GLU A 38 14.607 1.906 -0.822 1.00 13.04 O ATOM 611 CB GLU A 38 16.452 -0.370 0.606 1.00 33.32 C ATOM 612 CG GLU A 38 16.928 -1.065 1.891 1.00 74.23 C ATOM 613 CD GLU A 38 16.618 -0.275 3.176 1.00 34.42 C ATOM 614 OE1 GLU A 38 15.928 -0.808 4.071 1.00 62.43 O ATOM 615 OE2 GLU A 38 17.061 0.884 3.297 1.00 34.35 O ATOM 0 H GLU A 38 14.650 -2.131 0.520 1.00 72.22 H new ATOM 0 HA GLU A 38 14.701 0.614 1.392 1.00 2.45 H new ATOM 0 HB2 GLU A 38 16.700 -1.005 -0.245 1.00 33.32 H new ATOM 0 HB3 GLU A 38 17.011 0.558 0.485 1.00 33.32 H new ATOM 0 HG2 GLU A 38 16.459 -2.047 1.957 1.00 74.23 H new ATOM 0 HG3 GLU A 38 18.004 -1.229 1.827 1.00 74.23 H new ATOM 622 N LYS A 39 14.297 -0.123 -1.798 1.00 20.03 N ATOM 623 CA LYS A 39 13.877 0.400 -3.104 1.00 70.13 C ATOM 624 C LYS A 39 12.496 1.070 -2.988 1.00 42.32 C ATOM 625 O LYS A 39 12.276 2.124 -3.590 1.00 60.34 O ATOM 626 CB LYS A 39 13.878 -0.724 -4.175 1.00 73.14 C ATOM 627 CG LYS A 39 13.443 -0.278 -5.599 1.00 70.34 C ATOM 628 CD LYS A 39 14.266 0.919 -6.131 1.00 72.01 C ATOM 629 CE LYS A 39 13.857 1.357 -7.543 1.00 73.21 C ATOM 630 NZ LYS A 39 14.450 2.680 -7.885 1.00 42.12 N ATOM 0 H LYS A 39 14.341 -1.141 -1.757 1.00 20.03 H new ATOM 0 HA LYS A 39 14.593 1.156 -3.427 1.00 70.13 H new ATOM 0 HB2 LYS A 39 14.881 -1.147 -4.234 1.00 73.14 H new ATOM 0 HB3 LYS A 39 13.214 -1.522 -3.842 1.00 73.14 H new ATOM 0 HG2 LYS A 39 13.547 -1.118 -6.285 1.00 70.34 H new ATOM 0 HG3 LYS A 39 12.387 -0.008 -5.583 1.00 70.34 H new ATOM 0 HD2 LYS A 39 14.151 1.762 -5.449 1.00 72.01 H new ATOM 0 HD3 LYS A 39 15.323 0.652 -6.133 1.00 72.01 H new ATOM 0 HE2 LYS A 39 14.182 0.611 -8.268 1.00 73.21 H new ATOM 0 HE3 LYS A 39 12.771 1.413 -7.610 1.00 73.21 H new ATOM 0 HZ1 LYS A 39 14.797 2.662 -8.865 1.00 42.12 H new ATOM 0 HZ2 LYS A 39 13.726 3.420 -7.788 1.00 42.12 H new ATOM 0 HZ3 LYS A 39 15.241 2.883 -7.241 1.00 42.12 H new ATOM 644 N VAL A 40 11.594 0.469 -2.175 1.00 35.34 N ATOM 645 CA VAL A 40 10.287 1.075 -1.838 1.00 14.54 C ATOM 646 C VAL A 40 10.500 2.496 -1.284 1.00 21.41 C ATOM 647 O VAL A 40 9.852 3.443 -1.721 1.00 53.22 O ATOM 648 CB VAL A 40 9.491 0.234 -0.766 1.00 61.20 C ATOM 649 CG1 VAL A 40 8.113 0.867 -0.458 1.00 10.02 C ATOM 650 CG2 VAL A 40 9.335 -1.243 -1.186 1.00 15.22 C ATOM 0 H VAL A 40 11.751 -0.440 -1.739 1.00 35.34 H new ATOM 0 HA VAL A 40 9.701 1.097 -2.757 1.00 14.54 H new ATOM 0 HB VAL A 40 10.083 0.252 0.149 1.00 61.20 H new ATOM 0 HG11 VAL A 40 7.592 0.262 0.284 1.00 10.02 H new ATOM 0 HG12 VAL A 40 8.255 1.875 -0.069 1.00 10.02 H new ATOM 0 HG13 VAL A 40 7.520 0.910 -1.372 1.00 10.02 H new ATOM 0 HG21 VAL A 40 8.781 -1.783 -0.418 1.00 15.22 H new ATOM 0 HG22 VAL A 40 8.793 -1.297 -2.130 1.00 15.22 H new ATOM 0 HG23 VAL A 40 10.320 -1.693 -1.307 1.00 15.22 H new ATOM 660 N LYS A 41 11.468 2.608 -0.355 1.00 75.31 N ATOM 661 CA LYS A 41 11.809 3.864 0.337 1.00 63.31 C ATOM 662 C LYS A 41 12.334 4.939 -0.633 1.00 34.14 C ATOM 663 O LYS A 41 12.103 6.138 -0.410 1.00 63.51 O ATOM 664 CB LYS A 41 12.846 3.585 1.452 1.00 73.24 C ATOM 665 CG LYS A 41 12.339 2.623 2.543 1.00 25.04 C ATOM 666 CD LYS A 41 13.436 2.250 3.559 1.00 30.52 C ATOM 667 CE LYS A 41 12.961 1.225 4.590 1.00 53.53 C ATOM 668 NZ LYS A 41 14.045 0.876 5.542 1.00 44.20 N ATOM 0 H LYS A 41 12.042 1.818 -0.061 1.00 75.31 H new ATOM 0 HA LYS A 41 10.894 4.256 0.782 1.00 63.31 H new ATOM 0 HB2 LYS A 41 13.747 3.167 1.002 1.00 73.24 H new ATOM 0 HB3 LYS A 41 13.130 4.529 1.916 1.00 73.24 H new ATOM 0 HG2 LYS A 41 11.503 3.084 3.069 1.00 25.04 H new ATOM 0 HG3 LYS A 41 11.959 1.715 2.074 1.00 25.04 H new ATOM 0 HD2 LYS A 41 14.299 1.850 3.026 1.00 30.52 H new ATOM 0 HD3 LYS A 41 13.769 3.151 4.075 1.00 30.52 H new ATOM 0 HE2 LYS A 41 12.108 1.625 5.138 1.00 53.53 H new ATOM 0 HE3 LYS A 41 12.618 0.325 4.080 1.00 53.53 H new ATOM 0 HZ1 LYS A 41 13.997 -0.138 5.766 1.00 44.20 H new ATOM 0 HZ2 LYS A 41 14.967 1.092 5.113 1.00 44.20 H new ATOM 0 HZ3 LYS A 41 13.931 1.429 6.415 1.00 44.20 H new ATOM 682 N GLU A 42 13.057 4.501 -1.692 1.00 25.31 N ATOM 683 CA GLU A 42 13.489 5.398 -2.789 1.00 32.11 C ATOM 684 C GLU A 42 12.259 5.999 -3.473 1.00 53.32 C ATOM 685 O GLU A 42 12.160 7.210 -3.647 1.00 72.03 O ATOM 686 CB GLU A 42 14.342 4.654 -3.854 1.00 1.03 C ATOM 687 CG GLU A 42 15.720 4.147 -3.380 1.00 54.42 C ATOM 688 CD GLU A 42 16.564 3.492 -4.498 1.00 31.10 C ATOM 689 OE1 GLU A 42 16.250 3.664 -5.698 1.00 10.04 O ATOM 690 OE2 GLU A 42 17.559 2.808 -4.183 1.00 24.42 O ATOM 0 H GLU A 42 13.353 3.532 -1.809 1.00 25.31 H new ATOM 0 HA GLU A 42 14.107 6.179 -2.346 1.00 32.11 H new ATOM 0 HB2 GLU A 42 13.769 3.802 -4.220 1.00 1.03 H new ATOM 0 HB3 GLU A 42 14.494 5.323 -4.701 1.00 1.03 H new ATOM 0 HG2 GLU A 42 16.279 4.983 -2.959 1.00 54.42 H new ATOM 0 HG3 GLU A 42 15.574 3.424 -2.577 1.00 54.42 H new ATOM 697 N GLU A 43 11.306 5.126 -3.816 1.00 14.24 N ATOM 698 CA GLU A 43 10.098 5.519 -4.551 1.00 55.03 C ATOM 699 C GLU A 43 9.187 6.431 -3.693 1.00 63.31 C ATOM 700 O GLU A 43 8.507 7.309 -4.237 1.00 13.33 O ATOM 701 CB GLU A 43 9.339 4.252 -5.038 1.00 54.35 C ATOM 702 CG GLU A 43 10.218 3.176 -5.719 1.00 45.12 C ATOM 703 CD GLU A 43 11.055 3.691 -6.910 1.00 10.12 C ATOM 704 OE1 GLU A 43 12.186 4.199 -6.707 1.00 71.33 O ATOM 705 OE2 GLU A 43 10.600 3.560 -8.065 1.00 31.22 O ATOM 0 H GLU A 43 11.349 4.132 -3.593 1.00 14.24 H new ATOM 0 HA GLU A 43 10.396 6.100 -5.424 1.00 55.03 H new ATOM 0 HB2 GLU A 43 8.836 3.799 -4.184 1.00 54.35 H new ATOM 0 HB3 GLU A 43 8.563 4.560 -5.738 1.00 54.35 H new ATOM 0 HG2 GLU A 43 10.892 2.751 -4.975 1.00 45.12 H new ATOM 0 HG3 GLU A 43 9.576 2.367 -6.066 1.00 45.12 H new ATOM 712 N ILE A 44 9.206 6.218 -2.351 1.00 54.41 N ATOM 713 CA ILE A 44 8.407 7.001 -1.383 1.00 73.05 C ATOM 714 C ILE A 44 8.859 8.476 -1.368 1.00 73.00 C ATOM 715 O ILE A 44 8.027 9.373 -1.525 1.00 22.23 O ATOM 716 CB ILE A 44 8.486 6.390 0.078 1.00 3.25 C ATOM 717 CG1 ILE A 44 7.809 4.983 0.141 1.00 54.41 C ATOM 718 CG2 ILE A 44 7.863 7.341 1.138 1.00 74.34 C ATOM 719 CD1 ILE A 44 7.921 4.281 1.490 1.00 14.14 C ATOM 0 H ILE A 44 9.778 5.496 -1.913 1.00 54.41 H new ATOM 0 HA ILE A 44 7.368 6.952 -1.709 1.00 73.05 H new ATOM 0 HB ILE A 44 9.543 6.274 0.316 1.00 3.25 H new ATOM 0 HG12 ILE A 44 6.754 5.091 -0.110 1.00 54.41 H new ATOM 0 HG13 ILE A 44 8.255 4.346 -0.623 1.00 54.41 H new ATOM 0 HG21 ILE A 44 7.938 6.885 2.125 1.00 74.34 H new ATOM 0 HG22 ILE A 44 8.399 8.290 1.136 1.00 74.34 H new ATOM 0 HG23 ILE A 44 6.814 7.516 0.898 1.00 74.34 H new ATOM 0 HD11 ILE A 44 7.423 3.313 1.439 1.00 14.14 H new ATOM 0 HD12 ILE A 44 8.972 4.135 1.738 1.00 14.14 H new ATOM 0 HD13 ILE A 44 7.448 4.892 2.259 1.00 14.14 H new ATOM 731 N GLU A 45 10.184 8.714 -1.194 1.00 40.25 N ATOM 732 CA GLU A 45 10.735 10.091 -1.128 1.00 62.35 C ATOM 733 C GLU A 45 10.549 10.837 -2.464 1.00 41.03 C ATOM 734 O GLU A 45 10.307 12.050 -2.480 1.00 1.32 O ATOM 735 CB GLU A 45 12.231 10.106 -0.706 1.00 24.55 C ATOM 736 CG GLU A 45 13.174 9.308 -1.629 1.00 23.22 C ATOM 737 CD GLU A 45 14.660 9.613 -1.409 1.00 62.05 C ATOM 738 OE1 GLU A 45 15.233 10.419 -2.177 1.00 63.24 O ATOM 739 OE2 GLU A 45 15.262 9.063 -0.462 1.00 61.52 O ATOM 0 H GLU A 45 10.884 7.978 -1.098 1.00 40.25 H new ATOM 0 HA GLU A 45 10.168 10.614 -0.357 1.00 62.35 H new ATOM 0 HB2 GLU A 45 12.573 11.140 -0.669 1.00 24.55 H new ATOM 0 HB3 GLU A 45 12.312 9.707 0.305 1.00 24.55 H new ATOM 0 HG2 GLU A 45 13.004 8.243 -1.473 1.00 23.22 H new ATOM 0 HG3 GLU A 45 12.919 9.522 -2.667 1.00 23.22 H new ATOM 746 N LYS A 46 10.638 10.098 -3.580 1.00 14.22 N ATOM 747 CA LYS A 46 10.445 10.661 -4.926 1.00 24.41 C ATOM 748 C LYS A 46 8.973 11.076 -5.134 1.00 53.32 C ATOM 749 O LYS A 46 8.704 12.136 -5.704 1.00 31.34 O ATOM 750 CB LYS A 46 10.907 9.639 -5.998 1.00 34.32 C ATOM 751 CG LYS A 46 12.417 9.299 -5.932 1.00 32.12 C ATOM 752 CD LYS A 46 12.838 8.177 -6.914 1.00 71.24 C ATOM 753 CE LYS A 46 12.723 8.586 -8.390 1.00 22.32 C ATOM 754 NZ LYS A 46 13.630 9.719 -8.731 1.00 72.24 N ATOM 0 H LYS A 46 10.845 9.099 -3.576 1.00 14.22 H new ATOM 0 HA LYS A 46 11.055 11.559 -5.029 1.00 24.41 H new ATOM 0 HB2 LYS A 46 10.332 8.720 -5.881 1.00 34.32 H new ATOM 0 HB3 LYS A 46 10.677 10.036 -6.987 1.00 34.32 H new ATOM 0 HG2 LYS A 46 12.994 10.198 -6.150 1.00 32.12 H new ATOM 0 HG3 LYS A 46 12.670 8.996 -4.916 1.00 32.12 H new ATOM 0 HD2 LYS A 46 13.868 7.887 -6.704 1.00 71.24 H new ATOM 0 HD3 LYS A 46 12.217 7.298 -6.738 1.00 71.24 H new ATOM 0 HE2 LYS A 46 12.959 7.730 -9.022 1.00 22.32 H new ATOM 0 HE3 LYS A 46 11.693 8.869 -8.608 1.00 22.32 H new ATOM 0 HZ1 LYS A 46 13.634 9.862 -9.761 1.00 72.24 H new ATOM 0 HZ2 LYS A 46 13.295 10.585 -8.262 1.00 72.24 H new ATOM 0 HZ3 LYS A 46 14.594 9.501 -8.408 1.00 72.24 H new ATOM 768 N ALA A 47 8.026 10.254 -4.640 1.00 3.23 N ATOM 769 CA ALA A 47 6.573 10.536 -4.741 1.00 42.22 C ATOM 770 C ALA A 47 6.120 11.603 -3.725 1.00 11.21 C ATOM 771 O ALA A 47 5.108 12.283 -3.944 1.00 4.24 O ATOM 772 CB ALA A 47 5.770 9.242 -4.573 1.00 64.41 C ATOM 0 H ALA A 47 8.241 9.379 -4.161 1.00 3.23 H new ATOM 0 HA ALA A 47 6.381 10.942 -5.734 1.00 42.22 H new ATOM 0 HB1 ALA A 47 4.705 9.462 -4.649 1.00 64.41 H new ATOM 0 HB2 ALA A 47 6.051 8.535 -5.354 1.00 64.41 H new ATOM 0 HB3 ALA A 47 5.982 8.807 -3.596 1.00 64.41 H new ATOM 778 N ARG A 48 6.888 11.737 -2.627 1.00 32.45 N ATOM 779 CA ARG A 48 6.651 12.729 -1.554 1.00 61.42 C ATOM 780 C ARG A 48 6.702 14.164 -2.102 1.00 33.24 C ATOM 781 O ARG A 48 5.775 14.953 -1.899 1.00 34.04 O ATOM 782 CB ARG A 48 7.722 12.541 -0.445 1.00 72.32 C ATOM 783 CG ARG A 48 7.666 13.548 0.728 1.00 74.15 C ATOM 784 CD ARG A 48 8.779 13.299 1.757 1.00 52.45 C ATOM 785 NE ARG A 48 8.733 14.235 2.895 1.00 21.11 N ATOM 786 CZ ARG A 48 9.627 14.270 3.899 1.00 60.13 C ATOM 787 NH1 ARG A 48 10.658 13.420 3.930 1.00 54.14 N ATOM 788 NH2 ARG A 48 9.459 15.137 4.892 1.00 23.15 N ATOM 0 H ARG A 48 7.705 11.151 -2.455 1.00 32.45 H new ATOM 0 HA ARG A 48 5.656 12.568 -1.140 1.00 61.42 H new ATOM 0 HB2 ARG A 48 7.623 11.534 -0.039 1.00 72.32 H new ATOM 0 HB3 ARG A 48 8.708 12.604 -0.905 1.00 72.32 H new ATOM 0 HG2 ARG A 48 7.753 14.562 0.339 1.00 74.15 H new ATOM 0 HG3 ARG A 48 6.696 13.477 1.220 1.00 74.15 H new ATOM 0 HD2 ARG A 48 8.699 12.278 2.130 1.00 52.45 H new ATOM 0 HD3 ARG A 48 9.747 13.383 1.264 1.00 52.45 H new ATOM 0 HE ARG A 48 7.966 14.906 2.923 1.00 21.11 H new ATOM 0 HH11 ARG A 48 10.775 12.733 3.185 1.00 54.14 H new ATOM 0 HH12 ARG A 48 11.328 13.459 4.698 1.00 54.14 H new ATOM 0 HH21 ARG A 48 8.658 15.768 4.888 1.00 23.15 H new ATOM 0 HH22 ARG A 48 10.131 15.171 5.658 1.00 23.15 H new ATOM 802 N LYS A 49 7.796 14.469 -2.820 1.00 24.42 N ATOM 803 CA LYS A 49 8.033 15.807 -3.406 1.00 53.14 C ATOM 804 C LYS A 49 7.119 16.067 -4.622 1.00 10.00 C ATOM 805 O LYS A 49 6.932 17.216 -5.027 1.00 71.53 O ATOM 806 CB LYS A 49 9.527 15.966 -3.777 1.00 73.02 C ATOM 807 CG LYS A 49 10.057 14.960 -4.825 1.00 32.41 C ATOM 808 CD LYS A 49 11.587 15.067 -5.030 1.00 60.21 C ATOM 809 CE LYS A 49 12.030 16.464 -5.504 1.00 23.22 C ATOM 810 NZ LYS A 49 13.504 16.567 -5.647 1.00 4.11 N ATOM 0 H LYS A 49 8.541 13.800 -3.012 1.00 24.42 H new ATOM 0 HA LYS A 49 7.780 16.558 -2.657 1.00 53.14 H new ATOM 0 HB2 LYS A 49 9.685 16.976 -4.154 1.00 73.02 H new ATOM 0 HB3 LYS A 49 10.122 15.868 -2.869 1.00 73.02 H new ATOM 0 HG2 LYS A 49 9.806 13.947 -4.511 1.00 32.41 H new ATOM 0 HG3 LYS A 49 9.553 15.132 -5.776 1.00 32.41 H new ATOM 0 HD2 LYS A 49 12.092 14.829 -4.094 1.00 60.21 H new ATOM 0 HD3 LYS A 49 11.904 14.323 -5.761 1.00 60.21 H new ATOM 0 HE2 LYS A 49 11.557 16.688 -6.460 1.00 23.22 H new ATOM 0 HE3 LYS A 49 11.682 17.214 -4.793 1.00 23.22 H new ATOM 0 HZ1 LYS A 49 13.756 17.524 -5.968 1.00 4.11 H new ATOM 0 HZ2 LYS A 49 13.956 16.380 -4.729 1.00 4.11 H new ATOM 0 HZ3 LYS A 49 13.835 15.870 -6.344 1.00 4.11 H new ATOM 824 N GLN A 50 6.570 14.983 -5.201 1.00 43.43 N ATOM 825 CA GLN A 50 5.532 15.067 -6.250 1.00 23.10 C ATOM 826 C GLN A 50 4.159 15.395 -5.638 1.00 45.31 C ATOM 827 O GLN A 50 3.296 15.975 -6.307 1.00 21.24 O ATOM 828 CB GLN A 50 5.471 13.744 -7.054 1.00 34.24 C ATOM 829 CG GLN A 50 6.727 13.462 -7.895 1.00 63.14 C ATOM 830 CD GLN A 50 6.645 12.142 -8.661 1.00 44.33 C ATOM 831 OE1 GLN A 50 6.171 12.091 -9.792 1.00 11.35 O ATOM 832 NE2 GLN A 50 7.100 11.067 -8.048 1.00 23.41 N ATOM 0 H GLN A 50 6.831 14.027 -4.957 1.00 43.43 H new ATOM 0 HA GLN A 50 5.798 15.875 -6.932 1.00 23.10 H new ATOM 0 HB2 GLN A 50 5.318 12.917 -6.361 1.00 34.24 H new ATOM 0 HB3 GLN A 50 4.604 13.772 -7.714 1.00 34.24 H new ATOM 0 HG2 GLN A 50 6.876 14.278 -8.602 1.00 63.14 H new ATOM 0 HG3 GLN A 50 7.599 13.444 -7.242 1.00 63.14 H new ATOM 0 HE21 GLN A 50 7.488 11.142 -7.108 1.00 23.41 H new ATOM 0 HE22 GLN A 50 7.064 10.160 -8.514 1.00 23.41 H new ATOM 841 N GLY A 51 3.970 15.001 -4.357 1.00 43.11 N ATOM 842 CA GLY A 51 2.728 15.256 -3.619 1.00 40.24 C ATOM 843 C GLY A 51 1.548 14.404 -4.084 1.00 35.41 C ATOM 844 O GLY A 51 0.412 14.637 -3.661 1.00 55.50 O ATOM 0 H GLY A 51 4.675 14.501 -3.816 1.00 43.11 H new ATOM 0 HA2 GLY A 51 2.902 15.071 -2.559 1.00 40.24 H new ATOM 0 HA3 GLY A 51 2.466 16.309 -3.720 1.00 40.24 H new ATOM 848 N ARG A 52 1.822 13.410 -4.942 1.00 72.10 N ATOM 849 CA ARG A 52 0.798 12.521 -5.523 1.00 53.53 C ATOM 850 C ARG A 52 0.779 11.172 -4.768 1.00 51.32 C ATOM 851 O ARG A 52 1.725 10.881 -4.015 1.00 5.52 O ATOM 852 CB ARG A 52 1.071 12.321 -7.046 1.00 64.12 C ATOM 853 CG ARG A 52 2.392 11.604 -7.410 1.00 23.43 C ATOM 854 CD ARG A 52 2.578 11.478 -8.937 1.00 55.30 C ATOM 855 NE ARG A 52 2.525 12.797 -9.603 1.00 75.20 N ATOM 856 CZ ARG A 52 1.822 13.093 -10.714 1.00 33.13 C ATOM 857 NH1 ARG A 52 1.088 12.175 -11.326 1.00 42.34 N ATOM 858 NH2 ARG A 52 1.854 14.326 -11.195 1.00 51.33 N ATOM 0 H ARG A 52 2.769 13.197 -5.257 1.00 72.10 H new ATOM 0 HA ARG A 52 -0.186 12.978 -5.415 1.00 53.53 H new ATOM 0 HB2 ARG A 52 0.244 11.753 -7.472 1.00 64.12 H new ATOM 0 HB3 ARG A 52 1.067 13.299 -7.527 1.00 64.12 H new ATOM 0 HG2 ARG A 52 3.232 12.154 -6.986 1.00 23.43 H new ATOM 0 HG3 ARG A 52 2.402 10.611 -6.960 1.00 23.43 H new ATOM 0 HD2 ARG A 52 3.535 11.001 -9.149 1.00 55.30 H new ATOM 0 HD3 ARG A 52 1.802 10.832 -9.346 1.00 55.30 H new ATOM 0 HE ARG A 52 3.070 13.551 -9.184 1.00 75.20 H new ATOM 0 HH11 ARG A 52 1.048 11.225 -10.957 1.00 42.34 H new ATOM 0 HH12 ARG A 52 0.563 12.419 -12.166 1.00 42.34 H new ATOM 0 HH21 ARG A 52 2.408 15.042 -10.725 1.00 51.33 H new ATOM 0 HH22 ARG A 52 1.325 14.559 -12.035 1.00 51.33 H new ATOM 872 N PRO A 53 -0.314 10.343 -4.905 1.00 2.22 N ATOM 873 CA PRO A 53 -0.338 8.980 -4.329 1.00 61.34 C ATOM 874 C PRO A 53 0.717 8.056 -4.976 1.00 1.14 C ATOM 875 O PRO A 53 1.084 8.220 -6.154 1.00 31.42 O ATOM 876 CB PRO A 53 -1.782 8.476 -4.618 1.00 30.43 C ATOM 877 CG PRO A 53 -2.263 9.317 -5.765 1.00 74.00 C ATOM 878 CD PRO A 53 -1.610 10.671 -5.576 1.00 12.31 C ATOM 0 HA PRO A 53 -0.094 8.981 -3.267 1.00 61.34 H new ATOM 0 HB2 PRO A 53 -1.787 7.417 -4.876 1.00 30.43 H new ATOM 0 HB3 PRO A 53 -2.424 8.594 -3.745 1.00 30.43 H new ATOM 0 HG2 PRO A 53 -1.981 8.875 -6.721 1.00 74.00 H new ATOM 0 HG3 PRO A 53 -3.350 9.401 -5.761 1.00 74.00 H new ATOM 0 HD2 PRO A 53 -1.452 11.177 -6.528 1.00 12.31 H new ATOM 0 HD3 PRO A 53 -2.224 11.331 -4.963 1.00 12.31 H new ATOM 886 N ILE A 54 1.204 7.106 -4.179 1.00 3.52 N ATOM 887 CA ILE A 54 2.086 6.032 -4.637 1.00 54.12 C ATOM 888 C ILE A 54 1.541 4.700 -4.114 1.00 64.33 C ATOM 889 O ILE A 54 1.119 4.621 -2.968 1.00 54.22 O ATOM 890 CB ILE A 54 3.581 6.253 -4.184 1.00 41.24 C ATOM 891 CG1 ILE A 54 4.474 5.029 -4.566 1.00 0.13 C ATOM 892 CG2 ILE A 54 3.695 6.582 -2.674 1.00 52.34 C ATOM 893 CD1 ILE A 54 5.938 5.179 -4.223 1.00 73.32 C ATOM 0 H ILE A 54 0.994 7.060 -3.182 1.00 3.52 H new ATOM 0 HA ILE A 54 2.099 6.027 -5.727 1.00 54.12 H new ATOM 0 HB ILE A 54 3.951 7.123 -4.726 1.00 41.24 H new ATOM 0 HG12 ILE A 54 4.086 4.144 -4.062 1.00 0.13 H new ATOM 0 HG13 ILE A 54 4.383 4.852 -5.638 1.00 0.13 H new ATOM 0 HG21 ILE A 54 4.743 6.725 -2.411 1.00 52.34 H new ATOM 0 HG22 ILE A 54 3.138 7.494 -2.457 1.00 52.34 H new ATOM 0 HG23 ILE A 54 3.284 5.759 -2.090 1.00 52.34 H new ATOM 0 HD11 ILE A 54 6.476 4.281 -4.525 1.00 73.32 H new ATOM 0 HD12 ILE A 54 6.348 6.042 -4.748 1.00 73.32 H new ATOM 0 HD13 ILE A 54 6.047 5.323 -3.148 1.00 73.32 H new ATOM 905 N VAL A 55 1.505 3.669 -4.977 1.00 60.43 N ATOM 906 CA VAL A 55 1.033 2.329 -4.603 1.00 64.24 C ATOM 907 C VAL A 55 2.146 1.308 -4.908 1.00 61.20 C ATOM 908 O VAL A 55 2.556 1.137 -6.068 1.00 14.04 O ATOM 909 CB VAL A 55 -0.306 1.944 -5.351 1.00 21.03 C ATOM 910 CG1 VAL A 55 -0.889 0.632 -4.793 1.00 13.15 C ATOM 911 CG2 VAL A 55 -1.355 3.086 -5.281 1.00 24.41 C ATOM 0 H VAL A 55 1.802 3.743 -5.950 1.00 60.43 H new ATOM 0 HA VAL A 55 0.806 2.322 -3.537 1.00 64.24 H new ATOM 0 HB VAL A 55 -0.058 1.792 -6.402 1.00 21.03 H new ATOM 0 HG11 VAL A 55 -1.810 0.388 -5.323 1.00 13.15 H new ATOM 0 HG12 VAL A 55 -0.168 -0.174 -4.929 1.00 13.15 H new ATOM 0 HG13 VAL A 55 -1.103 0.752 -3.731 1.00 13.15 H new ATOM 0 HG21 VAL A 55 -2.260 2.781 -5.807 1.00 24.41 H new ATOM 0 HG22 VAL A 55 -1.594 3.297 -4.239 1.00 24.41 H new ATOM 0 HG23 VAL A 55 -0.948 3.983 -5.748 1.00 24.41 H new ATOM 921 N ILE A 56 2.651 0.668 -3.848 1.00 61.11 N ATOM 922 CA ILE A 56 3.731 -0.317 -3.923 1.00 62.22 C ATOM 923 C ILE A 56 3.142 -1.716 -3.711 1.00 34.13 C ATOM 924 O ILE A 56 2.449 -1.958 -2.723 1.00 32.35 O ATOM 925 CB ILE A 56 4.842 -0.035 -2.846 1.00 44.01 C ATOM 926 CG1 ILE A 56 5.465 1.384 -3.052 1.00 64.20 C ATOM 927 CG2 ILE A 56 5.947 -1.127 -2.871 1.00 52.11 C ATOM 928 CD1 ILE A 56 6.307 1.539 -4.316 1.00 33.20 C ATOM 0 H ILE A 56 2.314 0.824 -2.898 1.00 61.11 H new ATOM 0 HA ILE A 56 4.198 -0.249 -4.905 1.00 62.22 H new ATOM 0 HB ILE A 56 4.367 -0.065 -1.865 1.00 44.01 H new ATOM 0 HG12 ILE A 56 4.660 2.118 -3.077 1.00 64.20 H new ATOM 0 HG13 ILE A 56 6.086 1.621 -2.188 1.00 64.20 H new ATOM 0 HG21 ILE A 56 6.699 -0.901 -2.115 1.00 52.11 H new ATOM 0 HG22 ILE A 56 5.502 -2.100 -2.662 1.00 52.11 H new ATOM 0 HG23 ILE A 56 6.417 -1.147 -3.854 1.00 52.11 H new ATOM 0 HD11 ILE A 56 6.696 2.556 -4.372 1.00 33.20 H new ATOM 0 HD12 ILE A 56 7.138 0.834 -4.289 1.00 33.20 H new ATOM 0 HD13 ILE A 56 5.689 1.338 -5.191 1.00 33.20 H new ATOM 940 N PHE A 57 3.428 -2.615 -4.650 1.00 5.31 N ATOM 941 CA PHE A 57 2.949 -3.998 -4.634 1.00 74.23 C ATOM 942 C PHE A 57 4.098 -4.906 -4.211 1.00 74.11 C ATOM 943 O PHE A 57 5.135 -4.946 -4.872 1.00 21.34 O ATOM 944 CB PHE A 57 2.422 -4.378 -6.039 1.00 23.23 C ATOM 945 CG PHE A 57 1.311 -3.449 -6.513 1.00 43.22 C ATOM 946 CD1 PHE A 57 -0.012 -3.670 -6.133 1.00 1.34 C ATOM 947 CD2 PHE A 57 1.597 -2.324 -7.296 1.00 23.01 C ATOM 948 CE1 PHE A 57 -1.010 -2.807 -6.525 1.00 14.31 C ATOM 949 CE2 PHE A 57 0.593 -1.467 -7.689 1.00 55.33 C ATOM 950 CZ PHE A 57 -0.708 -1.708 -7.301 1.00 30.23 C ATOM 0 H PHE A 57 4.010 -2.400 -5.459 1.00 5.31 H new ATOM 0 HA PHE A 57 2.129 -4.113 -3.925 1.00 74.23 H new ATOM 0 HB2 PHE A 57 3.245 -4.349 -6.753 1.00 23.23 H new ATOM 0 HB3 PHE A 57 2.052 -5.403 -6.020 1.00 23.23 H new ATOM 0 HD1 PHE A 57 -0.257 -4.528 -5.524 1.00 1.34 H new ATOM 0 HD2 PHE A 57 2.616 -2.126 -7.595 1.00 23.01 H new ATOM 0 HE1 PHE A 57 -2.031 -2.991 -6.224 1.00 14.31 H new ATOM 0 HE2 PHE A 57 0.824 -0.607 -8.300 1.00 55.33 H new ATOM 0 HZ PHE A 57 -1.494 -1.033 -7.606 1.00 30.23 H new ATOM 960 N ILE A 58 3.939 -5.587 -3.077 1.00 32.22 N ATOM 961 CA ILE A 58 4.952 -6.517 -2.563 1.00 41.20 C ATOM 962 C ILE A 58 4.310 -7.886 -2.365 1.00 43.53 C ATOM 963 O ILE A 58 3.377 -8.028 -1.553 1.00 5.45 O ATOM 964 CB ILE A 58 5.588 -6.023 -1.210 1.00 31.34 C ATOM 965 CG1 ILE A 58 6.036 -4.532 -1.319 1.00 72.42 C ATOM 966 CG2 ILE A 58 6.780 -6.932 -0.808 1.00 72.11 C ATOM 967 CD1 ILE A 58 6.625 -3.947 -0.055 1.00 32.15 C ATOM 0 H ILE A 58 3.109 -5.513 -2.488 1.00 32.22 H new ATOM 0 HA ILE A 58 5.760 -6.574 -3.293 1.00 41.20 H new ATOM 0 HB ILE A 58 4.830 -6.088 -0.430 1.00 31.34 H new ATOM 0 HG12 ILE A 58 6.773 -4.447 -2.118 1.00 72.42 H new ATOM 0 HG13 ILE A 58 5.176 -3.931 -1.613 1.00 72.42 H new ATOM 0 HG21 ILE A 58 7.208 -6.577 0.129 1.00 72.11 H new ATOM 0 HG22 ILE A 58 6.430 -7.957 -0.682 1.00 72.11 H new ATOM 0 HG23 ILE A 58 7.540 -6.902 -1.589 1.00 72.11 H new ATOM 0 HD11 ILE A 58 6.905 -2.908 -0.231 1.00 32.15 H new ATOM 0 HD12 ILE A 58 5.887 -3.993 0.746 1.00 32.15 H new ATOM 0 HD13 ILE A 58 7.508 -4.517 0.233 1.00 32.15 H new ATOM 979 N ARG A 59 4.797 -8.886 -3.121 1.00 34.14 N ATOM 980 CA ARG A 59 4.313 -10.252 -3.002 1.00 55.53 C ATOM 981 C ARG A 59 4.918 -10.911 -1.753 1.00 12.02 C ATOM 982 O ARG A 59 6.122 -11.191 -1.719 1.00 70.33 O ATOM 983 CB ARG A 59 4.635 -11.104 -4.256 1.00 22.22 C ATOM 984 CG ARG A 59 3.945 -12.504 -4.228 1.00 52.20 C ATOM 985 CD ARG A 59 4.837 -13.644 -4.731 1.00 13.44 C ATOM 986 NE ARG A 59 6.094 -13.756 -3.974 1.00 43.02 N ATOM 987 CZ ARG A 59 6.222 -14.296 -2.748 1.00 52.25 C ATOM 988 NH1 ARG A 59 5.170 -14.781 -2.091 1.00 11.13 N ATOM 989 NH2 ARG A 59 7.413 -14.329 -2.180 1.00 3.32 N ATOM 0 H ARG A 59 5.529 -8.762 -3.821 1.00 34.14 H new ATOM 0 HA ARG A 59 3.228 -10.206 -2.911 1.00 55.53 H new ATOM 0 HB2 ARG A 59 4.317 -10.565 -5.148 1.00 22.22 H new ATOM 0 HB3 ARG A 59 5.714 -11.237 -4.332 1.00 22.22 H new ATOM 0 HG2 ARG A 59 3.632 -12.724 -3.207 1.00 52.20 H new ATOM 0 HG3 ARG A 59 3.042 -12.466 -4.837 1.00 52.20 H new ATOM 0 HD2 ARG A 59 4.291 -14.585 -4.662 1.00 13.44 H new ATOM 0 HD3 ARG A 59 5.065 -13.484 -5.785 1.00 13.44 H new ATOM 0 HE ARG A 59 6.939 -13.394 -4.416 1.00 43.02 H new ATOM 0 HH11 ARG A 59 4.243 -14.748 -2.516 1.00 11.13 H new ATOM 0 HH12 ARG A 59 5.291 -15.186 -1.163 1.00 11.13 H new ATOM 0 HH21 ARG A 59 8.222 -13.948 -2.670 1.00 3.32 H new ATOM 0 HH22 ARG A 59 7.524 -14.735 -1.251 1.00 3.32 H new ATOM 1003 N GLY A 60 4.071 -11.122 -0.731 1.00 41.31 N ATOM 1004 CA GLY A 60 4.455 -11.836 0.480 1.00 1.22 C ATOM 1005 C GLY A 60 5.379 -11.018 1.370 1.00 5.23 C ATOM 1006 O GLY A 60 6.431 -11.516 1.804 1.00 23.30 O ATOM 0 H GLY A 60 3.103 -10.799 -0.730 1.00 41.31 H new ATOM 0 HA2 GLY A 60 3.559 -12.103 1.040 1.00 1.22 H new ATOM 0 HA3 GLY A 60 4.950 -12.768 0.207 1.00 1.22 H new ATOM 1010 N ALA A 61 5.015 -9.739 1.600 1.00 21.44 N ATOM 1011 CA ALA A 61 5.740 -8.866 2.534 1.00 70.20 C ATOM 1012 C ALA A 61 5.542 -9.373 3.968 1.00 44.12 C ATOM 1013 O ALA A 61 4.459 -9.215 4.543 1.00 4.14 O ATOM 1014 CB ALA A 61 5.272 -7.407 2.400 1.00 53.23 C ATOM 0 H ALA A 61 4.219 -9.291 1.147 1.00 21.44 H new ATOM 0 HA ALA A 61 6.802 -8.894 2.291 1.00 70.20 H new ATOM 0 HB1 ALA A 61 5.824 -6.782 3.102 1.00 53.23 H new ATOM 0 HB2 ALA A 61 5.454 -7.059 1.383 1.00 53.23 H new ATOM 0 HB3 ALA A 61 4.206 -7.345 2.620 1.00 53.23 H new ATOM 1020 N THR A 62 6.577 -10.032 4.505 1.00 22.04 N ATOM 1021 CA THR A 62 6.574 -10.542 5.882 1.00 44.15 C ATOM 1022 C THR A 62 6.711 -9.372 6.891 1.00 43.23 C ATOM 1023 O THR A 62 7.029 -8.239 6.492 1.00 23.33 O ATOM 1024 CB THR A 62 7.701 -11.618 6.079 1.00 41.25 C ATOM 1025 OG1 THR A 62 7.670 -12.140 7.416 1.00 63.53 O ATOM 1026 CG2 THR A 62 9.108 -11.069 5.765 1.00 54.53 C ATOM 0 H THR A 62 7.440 -10.227 3.997 1.00 22.04 H new ATOM 0 HA THR A 62 5.620 -11.034 6.073 1.00 44.15 H new ATOM 0 HB THR A 62 7.497 -12.418 5.368 1.00 41.25 H new ATOM 0 HG1 THR A 62 8.377 -12.810 7.522 1.00 63.53 H new ATOM 0 HG21 THR A 62 9.848 -11.855 5.918 1.00 54.53 H new ATOM 0 HG22 THR A 62 9.145 -10.733 4.729 1.00 54.53 H new ATOM 0 HG23 THR A 62 9.327 -10.231 6.426 1.00 54.53 H new ATOM 1034 N GLU A 63 6.475 -9.685 8.183 1.00 60.21 N ATOM 1035 CA GLU A 63 6.371 -8.720 9.302 1.00 32.24 C ATOM 1036 C GLU A 63 7.521 -7.686 9.296 1.00 51.33 C ATOM 1037 O GLU A 63 7.272 -6.474 9.327 1.00 32.45 O ATOM 1038 CB GLU A 63 6.325 -9.532 10.645 1.00 10.32 C ATOM 1039 CG GLU A 63 5.679 -8.826 11.870 1.00 73.13 C ATOM 1040 CD GLU A 63 6.513 -7.691 12.481 1.00 61.23 C ATOM 1041 OE1 GLU A 63 7.640 -7.969 12.949 1.00 0.11 O ATOM 1042 OE2 GLU A 63 6.039 -6.535 12.532 1.00 72.02 O ATOM 0 H GLU A 63 6.347 -10.650 8.488 1.00 60.21 H new ATOM 0 HA GLU A 63 5.457 -8.137 9.190 1.00 32.24 H new ATOM 0 HB2 GLU A 63 5.782 -10.460 10.463 1.00 10.32 H new ATOM 0 HB3 GLU A 63 7.346 -9.807 10.911 1.00 10.32 H new ATOM 0 HG2 GLU A 63 4.711 -8.424 11.570 1.00 73.13 H new ATOM 0 HG3 GLU A 63 5.489 -9.572 12.641 1.00 73.13 H new ATOM 1049 N GLU A 64 8.761 -8.193 9.185 1.00 62.22 N ATOM 1050 CA GLU A 64 9.992 -7.374 9.241 1.00 15.54 C ATOM 1051 C GLU A 64 10.077 -6.355 8.079 1.00 32.32 C ATOM 1052 O GLU A 64 10.610 -5.256 8.251 1.00 3.21 O ATOM 1053 CB GLU A 64 11.242 -8.297 9.251 1.00 41.50 C ATOM 1054 CG GLU A 64 11.375 -9.197 8.008 1.00 61.45 C ATOM 1055 CD GLU A 64 12.616 -10.095 8.048 1.00 4.33 C ATOM 1056 OE1 GLU A 64 12.495 -11.296 8.379 1.00 21.20 O ATOM 1057 OE2 GLU A 64 13.721 -9.598 7.746 1.00 14.21 O ATOM 0 H GLU A 64 8.942 -9.188 9.053 1.00 62.22 H new ATOM 0 HA GLU A 64 9.960 -6.796 10.165 1.00 15.54 H new ATOM 0 HB2 GLU A 64 12.135 -7.678 9.334 1.00 41.50 H new ATOM 0 HB3 GLU A 64 11.207 -8.927 10.140 1.00 41.50 H new ATOM 0 HG2 GLU A 64 10.485 -9.820 7.921 1.00 61.45 H new ATOM 0 HG3 GLU A 64 11.415 -8.572 7.116 1.00 61.45 H new ATOM 1064 N VAL A 65 9.535 -6.725 6.907 1.00 61.11 N ATOM 1065 CA VAL A 65 9.543 -5.868 5.709 1.00 72.34 C ATOM 1066 C VAL A 65 8.511 -4.736 5.861 1.00 74.31 C ATOM 1067 O VAL A 65 8.855 -3.547 5.712 1.00 22.32 O ATOM 1068 CB VAL A 65 9.269 -6.715 4.403 1.00 43.44 C ATOM 1069 CG1 VAL A 65 9.245 -5.836 3.127 1.00 23.43 C ATOM 1070 CG2 VAL A 65 10.304 -7.862 4.272 1.00 50.34 C ATOM 0 H VAL A 65 9.079 -7.626 6.763 1.00 61.11 H new ATOM 0 HA VAL A 65 10.533 -5.422 5.609 1.00 72.34 H new ATOM 0 HB VAL A 65 8.275 -7.152 4.501 1.00 43.44 H new ATOM 0 HG11 VAL A 65 9.053 -6.463 2.257 1.00 23.43 H new ATOM 0 HG12 VAL A 65 8.457 -5.088 3.215 1.00 23.43 H new ATOM 0 HG13 VAL A 65 10.207 -5.338 3.010 1.00 23.43 H new ATOM 0 HG21 VAL A 65 10.100 -8.435 3.367 1.00 50.34 H new ATOM 0 HG22 VAL A 65 11.308 -7.441 4.217 1.00 50.34 H new ATOM 0 HG23 VAL A 65 10.233 -8.517 5.140 1.00 50.34 H new ATOM 1080 N VAL A 66 7.266 -5.114 6.227 1.00 33.33 N ATOM 1081 CA VAL A 66 6.135 -4.173 6.319 1.00 30.32 C ATOM 1082 C VAL A 66 6.437 -3.048 7.330 1.00 40.24 C ATOM 1083 O VAL A 66 6.449 -1.876 6.960 1.00 41.51 O ATOM 1084 CB VAL A 66 4.789 -4.887 6.718 1.00 54.55 C ATOM 1085 CG1 VAL A 66 3.601 -3.890 6.698 1.00 35.33 C ATOM 1086 CG2 VAL A 66 4.506 -6.104 5.812 1.00 22.25 C ATOM 0 H VAL A 66 7.021 -6.075 6.465 1.00 33.33 H new ATOM 0 HA VAL A 66 6.008 -3.747 5.324 1.00 30.32 H new ATOM 0 HB VAL A 66 4.902 -5.255 7.738 1.00 54.55 H new ATOM 0 HG11 VAL A 66 2.685 -4.410 6.977 1.00 35.33 H new ATOM 0 HG12 VAL A 66 3.791 -3.084 7.406 1.00 35.33 H new ATOM 0 HG13 VAL A 66 3.491 -3.475 5.696 1.00 35.33 H new ATOM 0 HG21 VAL A 66 3.570 -6.573 6.115 1.00 22.25 H new ATOM 0 HG22 VAL A 66 4.429 -5.776 4.775 1.00 22.25 H new ATOM 0 HG23 VAL A 66 5.319 -6.824 5.905 1.00 22.25 H new ATOM 1096 N ARG A 67 6.751 -3.446 8.582 1.00 52.10 N ATOM 1097 CA ARG A 67 6.995 -2.514 9.717 1.00 52.23 C ATOM 1098 C ARG A 67 8.124 -1.493 9.409 1.00 73.01 C ATOM 1099 O ARG A 67 8.074 -0.341 9.850 1.00 44.33 O ATOM 1100 CB ARG A 67 7.346 -3.328 11.000 1.00 31.15 C ATOM 1101 CG ARG A 67 8.702 -4.074 10.937 1.00 23.35 C ATOM 1102 CD ARG A 67 8.990 -4.936 12.172 1.00 22.33 C ATOM 1103 NE ARG A 67 9.126 -4.152 13.414 1.00 54.32 N ATOM 1104 CZ ARG A 67 8.838 -4.599 14.652 1.00 45.30 C ATOM 1105 NH1 ARG A 67 8.357 -5.822 14.850 1.00 73.42 N ATOM 1106 NH2 ARG A 67 9.055 -3.816 15.694 1.00 12.22 N ATOM 0 H ARG A 67 6.844 -4.428 8.841 1.00 52.10 H new ATOM 0 HA ARG A 67 6.080 -1.944 9.877 1.00 52.23 H new ATOM 0 HB2 ARG A 67 7.358 -2.650 11.853 1.00 31.15 H new ATOM 0 HB3 ARG A 67 6.554 -4.055 11.182 1.00 31.15 H new ATOM 0 HG2 ARG A 67 8.717 -4.708 10.051 1.00 23.35 H new ATOM 0 HG3 ARG A 67 9.503 -3.344 10.820 1.00 23.35 H new ATOM 0 HD2 ARG A 67 8.186 -5.662 12.295 1.00 22.33 H new ATOM 0 HD3 ARG A 67 9.907 -5.501 12.006 1.00 22.33 H new ATOM 0 HE ARG A 67 9.466 -3.194 13.329 1.00 54.32 H new ATOM 0 HH11 ARG A 67 8.199 -6.443 14.056 1.00 73.42 H new ATOM 0 HH12 ARG A 67 8.146 -6.140 15.796 1.00 73.42 H new ATOM 0 HH21 ARG A 67 9.438 -2.880 15.558 1.00 12.22 H new ATOM 0 HH22 ARG A 67 8.840 -4.147 16.634 1.00 12.22 H new ATOM 1120 N ASP A 68 9.118 -1.947 8.623 1.00 23.22 N ATOM 1121 CA ASP A 68 10.341 -1.184 8.309 1.00 42.24 C ATOM 1122 C ASP A 68 10.092 -0.136 7.203 1.00 65.44 C ATOM 1123 O ASP A 68 10.732 0.927 7.178 1.00 14.03 O ATOM 1124 CB ASP A 68 11.457 -2.177 7.904 1.00 2.34 C ATOM 1125 CG ASP A 68 12.792 -1.512 7.534 1.00 33.03 C ATOM 1126 OD1 ASP A 68 13.339 -1.806 6.448 1.00 74.15 O ATOM 1127 OD2 ASP A 68 13.305 -0.682 8.324 1.00 14.13 O ATOM 0 H ASP A 68 9.094 -2.866 8.182 1.00 23.22 H new ATOM 0 HA ASP A 68 10.652 -0.629 9.194 1.00 42.24 H new ATOM 0 HB2 ASP A 68 11.626 -2.871 8.727 1.00 2.34 H new ATOM 0 HB3 ASP A 68 11.111 -2.768 7.056 1.00 2.34 H new ATOM 1132 N ILE A 69 9.173 -0.450 6.284 1.00 0.42 N ATOM 1133 CA ILE A 69 8.723 0.502 5.249 1.00 45.24 C ATOM 1134 C ILE A 69 7.760 1.542 5.854 1.00 71.21 C ATOM 1135 O ILE A 69 7.867 2.746 5.577 1.00 11.42 O ATOM 1136 CB ILE A 69 8.022 -0.258 4.072 1.00 44.05 C ATOM 1137 CG1 ILE A 69 9.010 -1.262 3.407 1.00 20.15 C ATOM 1138 CG2 ILE A 69 7.441 0.727 3.031 1.00 53.11 C ATOM 1139 CD1 ILE A 69 8.367 -2.195 2.407 1.00 22.42 C ATOM 0 H ILE A 69 8.720 -1.362 6.232 1.00 0.42 H new ATOM 0 HA ILE A 69 9.598 1.021 4.859 1.00 45.24 H new ATOM 0 HB ILE A 69 7.186 -0.823 4.485 1.00 44.05 H new ATOM 0 HG12 ILE A 69 9.799 -0.700 2.907 1.00 20.15 H new ATOM 0 HG13 ILE A 69 9.486 -1.856 4.187 1.00 20.15 H new ATOM 0 HG21 ILE A 69 6.962 0.167 2.228 1.00 53.11 H new ATOM 0 HG22 ILE A 69 6.706 1.373 3.512 1.00 53.11 H new ATOM 0 HG23 ILE A 69 8.245 1.337 2.619 1.00 53.11 H new ATOM 0 HD11 ILE A 69 9.124 -2.860 1.991 1.00 22.42 H new ATOM 0 HD12 ILE A 69 7.597 -2.786 2.903 1.00 22.42 H new ATOM 0 HD13 ILE A 69 7.915 -1.612 1.604 1.00 22.42 H new ATOM 1151 N VAL A 70 6.834 1.049 6.694 1.00 14.12 N ATOM 1152 CA VAL A 70 5.772 1.858 7.304 1.00 51.11 C ATOM 1153 C VAL A 70 6.358 2.953 8.220 1.00 0.42 C ATOM 1154 O VAL A 70 5.924 4.107 8.147 1.00 2.01 O ATOM 1155 CB VAL A 70 4.752 0.932 8.076 1.00 14.14 C ATOM 1156 CG1 VAL A 70 3.762 1.735 8.944 1.00 4.14 C ATOM 1157 CG2 VAL A 70 3.986 0.029 7.073 1.00 65.25 C ATOM 0 H VAL A 70 6.804 0.067 6.970 1.00 14.12 H new ATOM 0 HA VAL A 70 5.227 2.368 6.510 1.00 51.11 H new ATOM 0 HB VAL A 70 5.333 0.309 8.755 1.00 14.14 H new ATOM 0 HG11 VAL A 70 3.084 1.049 9.452 1.00 4.14 H new ATOM 0 HG12 VAL A 70 4.314 2.314 9.684 1.00 4.14 H new ATOM 0 HG13 VAL A 70 3.187 2.410 8.310 1.00 4.14 H new ATOM 0 HG21 VAL A 70 3.285 -0.605 7.616 1.00 65.25 H new ATOM 0 HG22 VAL A 70 3.438 0.653 6.367 1.00 65.25 H new ATOM 0 HG23 VAL A 70 4.696 -0.596 6.531 1.00 65.25 H new ATOM 1167 N GLU A 71 7.377 2.591 9.036 1.00 52.23 N ATOM 1168 CA GLU A 71 8.073 3.560 9.920 1.00 3.54 C ATOM 1169 C GLU A 71 8.730 4.693 9.107 1.00 53.14 C ATOM 1170 O GLU A 71 8.736 5.841 9.542 1.00 12.43 O ATOM 1171 CB GLU A 71 9.151 2.874 10.806 1.00 33.32 C ATOM 1172 CG GLU A 71 10.303 2.214 10.016 1.00 74.23 C ATOM 1173 CD GLU A 71 11.548 1.904 10.854 1.00 41.14 C ATOM 1174 OE1 GLU A 71 12.523 2.683 10.803 1.00 44.02 O ATOM 1175 OE2 GLU A 71 11.567 0.890 11.560 1.00 72.00 O ATOM 0 H GLU A 71 7.735 1.638 9.101 1.00 52.23 H new ATOM 0 HA GLU A 71 7.307 3.982 10.571 1.00 3.54 H new ATOM 0 HB2 GLU A 71 9.571 3.616 11.485 1.00 33.32 H new ATOM 0 HB3 GLU A 71 8.668 2.115 11.422 1.00 33.32 H new ATOM 0 HG2 GLU A 71 9.939 1.288 9.572 1.00 74.23 H new ATOM 0 HG3 GLU A 71 10.587 2.871 9.194 1.00 74.23 H new ATOM 1182 N TYR A 72 9.279 4.341 7.922 1.00 32.05 N ATOM 1183 CA TYR A 72 9.939 5.296 7.023 1.00 50.12 C ATOM 1184 C TYR A 72 8.911 6.289 6.463 1.00 12.41 C ATOM 1185 O TYR A 72 9.154 7.489 6.461 1.00 62.32 O ATOM 1186 CB TYR A 72 10.667 4.548 5.874 1.00 63.41 C ATOM 1187 CG TYR A 72 11.301 5.478 4.822 1.00 13.01 C ATOM 1188 CD1 TYR A 72 12.582 6.014 4.993 1.00 31.12 C ATOM 1189 CD2 TYR A 72 10.612 5.828 3.653 1.00 42.35 C ATOM 1190 CE1 TYR A 72 13.134 6.869 4.048 1.00 52.45 C ATOM 1191 CE2 TYR A 72 11.163 6.674 2.717 1.00 33.33 C ATOM 1192 CZ TYR A 72 12.422 7.186 2.913 1.00 41.01 C ATOM 1193 OH TYR A 72 12.963 8.040 1.975 1.00 21.30 O ATOM 0 H TYR A 72 9.273 3.384 7.568 1.00 32.05 H new ATOM 0 HA TYR A 72 10.686 5.853 7.589 1.00 50.12 H new ATOM 0 HB2 TYR A 72 11.446 3.917 6.302 1.00 63.41 H new ATOM 0 HB3 TYR A 72 9.957 3.886 5.378 1.00 63.41 H new ATOM 0 HD1 TYR A 72 13.151 5.759 5.875 1.00 31.12 H new ATOM 0 HD2 TYR A 72 9.625 5.424 3.482 1.00 42.35 H new ATOM 0 HE1 TYR A 72 14.119 7.284 4.203 1.00 52.45 H new ATOM 0 HE2 TYR A 72 10.606 6.935 1.829 1.00 33.33 H new ATOM 0 HH TYR A 72 12.829 7.668 1.078 1.00 21.30 H new ATOM 1203 N ALA A 73 7.762 5.763 6.001 1.00 13.21 N ATOM 1204 CA ALA A 73 6.671 6.580 5.436 1.00 65.22 C ATOM 1205 C ALA A 73 6.047 7.509 6.506 1.00 41.34 C ATOM 1206 O ALA A 73 5.510 8.579 6.180 1.00 35.11 O ATOM 1207 CB ALA A 73 5.614 5.665 4.796 1.00 60.44 C ATOM 0 H ALA A 73 7.563 4.763 6.008 1.00 13.21 H new ATOM 0 HA ALA A 73 7.084 7.226 4.662 1.00 65.22 H new ATOM 0 HB1 ALA A 73 4.810 6.273 4.380 1.00 60.44 H new ATOM 0 HB2 ALA A 73 6.074 5.078 4.001 1.00 60.44 H new ATOM 0 HB3 ALA A 73 5.207 4.994 5.553 1.00 60.44 H new ATOM 1213 N GLN A 74 6.137 7.083 7.785 1.00 51.11 N ATOM 1214 CA GLN A 74 5.735 7.904 8.949 1.00 70.42 C ATOM 1215 C GLN A 74 6.788 8.995 9.247 1.00 22.41 C ATOM 1216 O GLN A 74 6.431 10.095 9.674 1.00 71.02 O ATOM 1217 CB GLN A 74 5.508 7.010 10.199 1.00 75.00 C ATOM 1218 CG GLN A 74 4.305 6.049 10.086 1.00 1.12 C ATOM 1219 CD GLN A 74 4.133 5.161 11.320 1.00 30.50 C ATOM 1220 OE1 GLN A 74 4.697 4.068 11.402 1.00 51.15 O ATOM 1221 NE2 GLN A 74 3.348 5.621 12.282 1.00 54.14 N ATOM 0 H GLN A 74 6.490 6.161 8.040 1.00 51.11 H new ATOM 0 HA GLN A 74 4.795 8.398 8.703 1.00 70.42 H new ATOM 0 HB2 GLN A 74 6.409 6.425 10.380 1.00 75.00 H new ATOM 0 HB3 GLN A 74 5.364 7.652 11.068 1.00 75.00 H new ATOM 0 HG2 GLN A 74 3.396 6.630 9.933 1.00 1.12 H new ATOM 0 HG3 GLN A 74 4.432 5.418 9.206 1.00 1.12 H new ATOM 0 HE21 GLN A 74 2.897 6.530 12.181 1.00 54.14 H new ATOM 0 HE22 GLN A 74 3.194 5.066 13.124 1.00 54.14 H new ATOM 1230 N LYS A 75 8.088 8.674 9.015 1.00 61.34 N ATOM 1231 CA LYS A 75 9.209 9.649 9.143 1.00 41.13 C ATOM 1232 C LYS A 75 9.074 10.760 8.085 1.00 23.14 C ATOM 1233 O LYS A 75 9.367 11.929 8.358 1.00 1.20 O ATOM 1234 CB LYS A 75 10.590 8.954 8.984 1.00 63.40 C ATOM 1235 CG LYS A 75 10.998 8.008 10.128 1.00 74.51 C ATOM 1236 CD LYS A 75 12.349 7.302 9.850 1.00 74.14 C ATOM 1237 CE LYS A 75 12.788 6.395 11.004 1.00 33.01 C ATOM 1238 NZ LYS A 75 11.813 5.309 11.270 1.00 44.11 N ATOM 0 H LYS A 75 8.389 7.740 8.736 1.00 61.34 H new ATOM 0 HA LYS A 75 9.153 10.082 10.142 1.00 41.13 H new ATOM 0 HB2 LYS A 75 10.586 8.387 8.053 1.00 63.40 H new ATOM 0 HB3 LYS A 75 11.354 9.725 8.885 1.00 63.40 H new ATOM 0 HG2 LYS A 75 11.070 8.574 11.057 1.00 74.51 H new ATOM 0 HG3 LYS A 75 10.221 7.258 10.271 1.00 74.51 H new ATOM 0 HD2 LYS A 75 12.264 6.710 8.939 1.00 74.14 H new ATOM 0 HD3 LYS A 75 13.118 8.054 9.671 1.00 74.14 H new ATOM 0 HE2 LYS A 75 13.759 5.959 10.771 1.00 33.01 H new ATOM 0 HE3 LYS A 75 12.916 6.994 11.906 1.00 33.01 H new ATOM 0 HZ1 LYS A 75 11.372 5.458 12.200 1.00 44.11 H new ATOM 0 HZ2 LYS A 75 11.078 5.314 10.534 1.00 44.11 H new ATOM 0 HZ3 LYS A 75 12.304 4.392 11.262 1.00 44.11 H new ATOM 1252 N GLU A 76 8.610 10.362 6.883 1.00 3.03 N ATOM 1253 CA GLU A 76 8.342 11.281 5.760 1.00 44.14 C ATOM 1254 C GLU A 76 7.190 12.248 6.094 1.00 53.21 C ATOM 1255 O GLU A 76 7.060 13.296 5.466 1.00 63.54 O ATOM 1256 CB GLU A 76 7.985 10.468 4.486 1.00 1.13 C ATOM 1257 CG GLU A 76 9.060 9.477 4.004 1.00 23.35 C ATOM 1258 CD GLU A 76 10.333 10.135 3.446 1.00 23.35 C ATOM 1259 OE1 GLU A 76 10.379 10.419 2.232 1.00 73.50 O ATOM 1260 OE2 GLU A 76 11.295 10.366 4.207 1.00 65.42 O ATOM 0 H GLU A 76 8.410 9.386 6.664 1.00 3.03 H new ATOM 0 HA GLU A 76 9.243 11.868 5.582 1.00 44.14 H new ATOM 0 HB2 GLU A 76 7.066 9.914 4.676 1.00 1.13 H new ATOM 0 HB3 GLU A 76 7.774 11.168 3.678 1.00 1.13 H new ATOM 0 HG2 GLU A 76 9.336 8.828 4.835 1.00 23.35 H new ATOM 0 HG3 GLU A 76 8.628 8.840 3.232 1.00 23.35 H new ATOM 1267 N GLY A 77 6.354 11.862 7.081 1.00 42.21 N ATOM 1268 CA GLY A 77 5.176 12.639 7.466 1.00 74.41 C ATOM 1269 C GLY A 77 4.029 12.462 6.481 1.00 1.41 C ATOM 1270 O GLY A 77 3.143 13.316 6.390 1.00 42.24 O ATOM 0 H GLY A 77 6.482 11.008 7.624 1.00 42.21 H new ATOM 0 HA2 GLY A 77 4.850 12.334 8.461 1.00 74.41 H new ATOM 0 HA3 GLY A 77 5.442 13.694 7.527 1.00 74.41 H new ATOM 1274 N LEU A 78 4.059 11.341 5.737 1.00 3.55 N ATOM 1275 CA LEU A 78 3.054 11.019 4.713 1.00 40.00 C ATOM 1276 C LEU A 78 1.951 10.141 5.307 1.00 71.15 C ATOM 1277 O LEU A 78 2.168 9.444 6.311 1.00 72.32 O ATOM 1278 CB LEU A 78 3.723 10.314 3.501 1.00 44.23 C ATOM 1279 CG LEU A 78 4.821 11.143 2.758 1.00 41.32 C ATOM 1280 CD1 LEU A 78 5.402 10.370 1.557 1.00 22.01 C ATOM 1281 CD2 LEU A 78 4.287 12.525 2.327 1.00 74.13 C ATOM 0 H LEU A 78 4.785 10.631 5.832 1.00 3.55 H new ATOM 0 HA LEU A 78 2.603 11.948 4.363 1.00 40.00 H new ATOM 0 HB2 LEU A 78 4.169 9.382 3.847 1.00 44.23 H new ATOM 0 HB3 LEU A 78 2.946 10.049 2.784 1.00 44.23 H new ATOM 0 HG LEU A 78 5.635 11.308 3.464 1.00 41.32 H new ATOM 0 HD11 LEU A 78 6.162 10.978 1.066 1.00 22.01 H new ATOM 0 HD12 LEU A 78 5.851 9.440 1.906 1.00 22.01 H new ATOM 0 HD13 LEU A 78 4.604 10.145 0.849 1.00 22.01 H new ATOM 0 HD21 LEU A 78 5.075 13.076 1.813 1.00 74.13 H new ATOM 0 HD22 LEU A 78 3.439 12.394 1.655 1.00 74.13 H new ATOM 0 HD23 LEU A 78 3.969 13.083 3.208 1.00 74.13 H new ATOM 1293 N ARG A 79 0.767 10.203 4.687 1.00 72.23 N ATOM 1294 CA ARG A 79 -0.394 9.405 5.079 1.00 12.14 C ATOM 1295 C ARG A 79 -0.171 7.941 4.634 1.00 73.15 C ATOM 1296 O ARG A 79 -0.145 7.661 3.433 1.00 1.14 O ATOM 1297 CB ARG A 79 -1.672 9.995 4.425 1.00 14.34 C ATOM 1298 CG ARG A 79 -2.977 9.359 4.925 1.00 12.24 C ATOM 1299 CD ARG A 79 -4.230 9.815 4.158 1.00 25.23 C ATOM 1300 NE ARG A 79 -4.560 11.235 4.375 1.00 5.54 N ATOM 1301 CZ ARG A 79 -5.764 11.786 4.139 1.00 30.34 C ATOM 1302 NH1 ARG A 79 -6.770 11.042 3.683 1.00 52.11 N ATOM 1303 NH2 ARG A 79 -5.957 13.080 4.360 1.00 75.32 N ATOM 0 H ARG A 79 0.589 10.816 3.891 1.00 72.23 H new ATOM 0 HA ARG A 79 -0.521 9.428 6.161 1.00 12.14 H new ATOM 0 HB2 ARG A 79 -1.705 11.067 4.618 1.00 14.34 H new ATOM 0 HB3 ARG A 79 -1.608 9.867 3.344 1.00 14.34 H new ATOM 0 HG2 ARG A 79 -2.893 8.275 4.850 1.00 12.24 H new ATOM 0 HG3 ARG A 79 -3.104 9.597 5.981 1.00 12.24 H new ATOM 0 HD2 ARG A 79 -4.078 9.643 3.092 1.00 25.23 H new ATOM 0 HD3 ARG A 79 -5.078 9.201 4.463 1.00 25.23 H new ATOM 0 HE ARG A 79 -3.822 11.844 4.730 1.00 5.54 H new ATOM 0 HH11 ARG A 79 -6.631 10.046 3.510 1.00 52.11 H new ATOM 0 HH12 ARG A 79 -7.680 11.468 3.507 1.00 52.11 H new ATOM 0 HH21 ARG A 79 -5.192 13.657 4.709 1.00 75.32 H new ATOM 0 HH22 ARG A 79 -6.870 13.497 4.181 1.00 75.32 H new ATOM 1317 N VAL A 80 0.003 7.020 5.601 1.00 70.01 N ATOM 1318 CA VAL A 80 0.369 5.616 5.311 1.00 3.34 C ATOM 1319 C VAL A 80 -0.900 4.737 5.307 1.00 62.32 C ATOM 1320 O VAL A 80 -1.544 4.547 6.342 1.00 64.23 O ATOM 1321 CB VAL A 80 1.402 5.051 6.369 1.00 62.23 C ATOM 1322 CG1 VAL A 80 2.011 3.703 5.900 1.00 5.34 C ATOM 1323 CG2 VAL A 80 2.503 6.091 6.689 1.00 62.35 C ATOM 0 H VAL A 80 -0.104 7.222 6.595 1.00 70.01 H new ATOM 0 HA VAL A 80 0.843 5.590 4.330 1.00 3.34 H new ATOM 0 HB VAL A 80 0.857 4.857 7.293 1.00 62.23 H new ATOM 0 HG11 VAL A 80 2.716 3.342 6.649 1.00 5.34 H new ATOM 0 HG12 VAL A 80 1.215 2.970 5.768 1.00 5.34 H new ATOM 0 HG13 VAL A 80 2.530 3.848 4.953 1.00 5.34 H new ATOM 0 HG21 VAL A 80 3.197 5.673 7.418 1.00 62.35 H new ATOM 0 HG22 VAL A 80 3.043 6.341 5.776 1.00 62.35 H new ATOM 0 HG23 VAL A 80 2.045 6.992 7.098 1.00 62.35 H new ATOM 1333 N LEU A 81 -1.254 4.231 4.123 1.00 21.25 N ATOM 1334 CA LEU A 81 -2.397 3.325 3.906 1.00 54.22 C ATOM 1335 C LEU A 81 -1.854 1.944 3.573 1.00 34.04 C ATOM 1336 O LEU A 81 -1.292 1.760 2.506 1.00 54.40 O ATOM 1337 CB LEU A 81 -3.285 3.836 2.724 1.00 31.31 C ATOM 1338 CG LEU A 81 -4.343 4.934 3.048 1.00 2.53 C ATOM 1339 CD1 LEU A 81 -5.392 4.411 4.041 1.00 44.14 C ATOM 1340 CD2 LEU A 81 -3.696 6.225 3.556 1.00 62.04 C ATOM 0 H LEU A 81 -0.745 4.442 3.265 1.00 21.25 H new ATOM 0 HA LEU A 81 -3.011 3.289 4.806 1.00 54.22 H new ATOM 0 HB2 LEU A 81 -2.624 4.223 1.948 1.00 31.31 H new ATOM 0 HB3 LEU A 81 -3.808 2.979 2.299 1.00 31.31 H new ATOM 0 HG LEU A 81 -4.850 5.178 2.115 1.00 2.53 H new ATOM 0 HD11 LEU A 81 -6.118 5.196 4.250 1.00 44.14 H new ATOM 0 HD12 LEU A 81 -5.903 3.550 3.611 1.00 44.14 H new ATOM 0 HD13 LEU A 81 -4.900 4.115 4.968 1.00 44.14 H new ATOM 0 HD21 LEU A 81 -4.471 6.961 3.769 1.00 62.04 H new ATOM 0 HD22 LEU A 81 -3.134 6.017 4.466 1.00 62.04 H new ATOM 0 HD23 LEU A 81 -3.022 6.618 2.795 1.00 62.04 H new ATOM 1352 N VAL A 82 -2.009 0.968 4.466 1.00 10.35 N ATOM 1353 CA VAL A 82 -1.530 -0.396 4.199 1.00 3.34 C ATOM 1354 C VAL A 82 -2.731 -1.314 3.950 1.00 74.21 C ATOM 1355 O VAL A 82 -3.471 -1.658 4.879 1.00 3.41 O ATOM 1356 CB VAL A 82 -0.623 -0.955 5.357 1.00 12.30 C ATOM 1357 CG1 VAL A 82 -0.056 -2.355 4.998 1.00 11.31 C ATOM 1358 CG2 VAL A 82 0.512 0.041 5.699 1.00 62.42 C ATOM 0 H VAL A 82 -2.458 1.090 5.374 1.00 10.35 H new ATOM 0 HA VAL A 82 -0.901 -0.365 3.309 1.00 3.34 H new ATOM 0 HB VAL A 82 -1.244 -1.070 6.245 1.00 12.30 H new ATOM 0 HG11 VAL A 82 0.567 -2.716 5.816 1.00 11.31 H new ATOM 0 HG12 VAL A 82 -0.880 -3.050 4.835 1.00 11.31 H new ATOM 0 HG13 VAL A 82 0.543 -2.283 4.090 1.00 11.31 H new ATOM 0 HG21 VAL A 82 1.125 -0.368 6.502 1.00 62.42 H new ATOM 0 HG22 VAL A 82 1.131 0.204 4.817 1.00 62.42 H new ATOM 0 HG23 VAL A 82 0.080 0.989 6.019 1.00 62.42 H new ATOM 1368 N ILE A 83 -2.935 -1.672 2.668 1.00 24.44 N ATOM 1369 CA ILE A 83 -3.956 -2.636 2.261 1.00 3.45 C ATOM 1370 C ILE A 83 -3.310 -4.025 2.231 1.00 34.35 C ATOM 1371 O ILE A 83 -2.446 -4.306 1.397 1.00 51.21 O ATOM 1372 CB ILE A 83 -4.604 -2.298 0.860 1.00 1.14 C ATOM 1373 CG1 ILE A 83 -5.419 -0.971 0.950 1.00 51.23 C ATOM 1374 CG2 ILE A 83 -5.497 -3.462 0.339 1.00 70.01 C ATOM 1375 CD1 ILE A 83 -6.224 -0.635 -0.292 1.00 1.43 C ATOM 0 H ILE A 83 -2.392 -1.296 1.890 1.00 24.44 H new ATOM 0 HA ILE A 83 -4.772 -2.598 2.983 1.00 3.45 H new ATOM 0 HB ILE A 83 -3.795 -2.167 0.141 1.00 1.14 H new ATOM 0 HG12 ILE A 83 -6.098 -1.035 1.800 1.00 51.23 H new ATOM 0 HG13 ILE A 83 -4.730 -0.151 1.153 1.00 51.23 H new ATOM 0 HG21 ILE A 83 -5.923 -3.189 -0.626 1.00 70.01 H new ATOM 0 HG22 ILE A 83 -4.893 -4.362 0.228 1.00 70.01 H new ATOM 0 HG23 ILE A 83 -6.301 -3.650 1.051 1.00 70.01 H new ATOM 0 HD11 ILE A 83 -6.757 0.303 -0.137 1.00 1.43 H new ATOM 0 HD12 ILE A 83 -5.552 -0.534 -1.145 1.00 1.43 H new ATOM 0 HD13 ILE A 83 -6.941 -1.432 -0.487 1.00 1.43 H new ATOM 1387 N MET A 84 -3.710 -4.866 3.178 1.00 3.02 N ATOM 1388 CA MET A 84 -3.237 -6.246 3.288 1.00 52.14 C ATOM 1389 C MET A 84 -4.377 -7.156 2.854 1.00 40.43 C ATOM 1390 O MET A 84 -5.459 -7.131 3.446 1.00 65.22 O ATOM 1391 CB MET A 84 -2.772 -6.533 4.736 1.00 54.42 C ATOM 1392 CG MET A 84 -1.484 -5.792 5.117 1.00 11.33 C ATOM 1393 SD MET A 84 -1.103 -5.881 6.871 1.00 42.45 S ATOM 1394 CE MET A 84 -2.372 -4.826 7.566 1.00 5.44 C ATOM 0 H MET A 84 -4.381 -4.608 3.902 1.00 3.02 H new ATOM 0 HA MET A 84 -2.375 -6.425 2.646 1.00 52.14 H new ATOM 0 HB2 MET A 84 -3.565 -6.249 5.428 1.00 54.42 H new ATOM 0 HB3 MET A 84 -2.615 -7.605 4.854 1.00 54.42 H new ATOM 0 HG2 MET A 84 -0.652 -6.210 4.550 1.00 11.33 H new ATOM 0 HG3 MET A 84 -1.575 -4.746 4.825 1.00 11.33 H new ATOM 0 HE1 MET A 84 -2.010 -4.385 8.495 1.00 5.44 H new ATOM 0 HE2 MET A 84 -2.614 -4.033 6.858 1.00 5.44 H new ATOM 0 HE3 MET A 84 -3.265 -5.417 7.769 1.00 5.44 H new ATOM 1404 N VAL A 85 -4.140 -7.911 1.781 1.00 11.04 N ATOM 1405 CA VAL A 85 -5.128 -8.787 1.148 1.00 63.34 C ATOM 1406 C VAL A 85 -4.460 -10.115 0.806 1.00 51.33 C ATOM 1407 O VAL A 85 -3.370 -10.125 0.257 1.00 2.10 O ATOM 1408 CB VAL A 85 -5.715 -8.137 -0.163 1.00 34.55 C ATOM 1409 CG1 VAL A 85 -6.545 -9.152 -0.988 1.00 21.24 C ATOM 1410 CG2 VAL A 85 -6.554 -6.885 0.179 1.00 1.04 C ATOM 0 H VAL A 85 -3.233 -7.931 1.316 1.00 11.04 H new ATOM 0 HA VAL A 85 -5.953 -8.943 1.843 1.00 63.34 H new ATOM 0 HB VAL A 85 -4.873 -7.830 -0.783 1.00 34.55 H new ATOM 0 HG11 VAL A 85 -6.931 -8.664 -1.883 1.00 21.24 H new ATOM 0 HG12 VAL A 85 -5.911 -9.991 -1.277 1.00 21.24 H new ATOM 0 HG13 VAL A 85 -7.377 -9.517 -0.386 1.00 21.24 H new ATOM 0 HG21 VAL A 85 -6.950 -6.451 -0.739 1.00 1.04 H new ATOM 0 HG22 VAL A 85 -7.379 -7.167 0.833 1.00 1.04 H new ATOM 0 HG23 VAL A 85 -5.925 -6.152 0.685 1.00 1.04 H new ATOM 1420 N ASP A 86 -5.131 -11.213 1.143 1.00 61.32 N ATOM 1421 CA ASP A 86 -4.719 -12.574 0.778 1.00 12.12 C ATOM 1422 C ASP A 86 -5.852 -13.530 1.158 1.00 2.15 C ATOM 1423 O ASP A 86 -6.778 -13.146 1.869 1.00 71.42 O ATOM 1424 CB ASP A 86 -3.375 -12.983 1.467 1.00 70.01 C ATOM 1425 CG ASP A 86 -2.794 -14.293 0.913 1.00 5.11 C ATOM 1426 OD1 ASP A 86 -2.719 -15.295 1.659 1.00 1.34 O ATOM 1427 OD2 ASP A 86 -2.449 -14.327 -0.291 1.00 2.32 O ATOM 0 H ASP A 86 -5.993 -11.186 1.688 1.00 61.32 H new ATOM 0 HA ASP A 86 -4.533 -12.621 -0.295 1.00 12.12 H new ATOM 0 HB2 ASP A 86 -2.646 -12.183 1.334 1.00 70.01 H new ATOM 0 HB3 ASP A 86 -3.540 -13.089 2.539 1.00 70.01 H new ATOM 1432 N GLN A 87 -5.759 -14.784 0.693 1.00 62.11 N ATOM 1433 CA GLN A 87 -6.742 -15.844 0.988 1.00 30.20 C ATOM 1434 C GLN A 87 -6.574 -16.394 2.431 1.00 4.41 C ATOM 1435 O GLN A 87 -7.195 -17.395 2.792 1.00 3.41 O ATOM 1436 CB GLN A 87 -6.586 -16.962 -0.078 1.00 2.34 C ATOM 1437 CG GLN A 87 -6.768 -16.465 -1.531 1.00 13.25 C ATOM 1438 CD GLN A 87 -6.500 -17.543 -2.588 1.00 55.20 C ATOM 1439 OE1 GLN A 87 -7.407 -18.275 -2.990 1.00 54.20 O ATOM 1440 NE2 GLN A 87 -5.254 -17.642 -3.044 1.00 4.11 N ATOM 0 H GLN A 87 -4.994 -15.097 0.096 1.00 62.11 H new ATOM 0 HA GLN A 87 -7.751 -15.434 0.939 1.00 30.20 H new ATOM 0 HB2 GLN A 87 -5.598 -17.412 0.022 1.00 2.34 H new ATOM 0 HB3 GLN A 87 -7.315 -17.747 0.122 1.00 2.34 H new ATOM 0 HG2 GLN A 87 -7.785 -16.093 -1.654 1.00 13.25 H new ATOM 0 HG3 GLN A 87 -6.097 -15.623 -1.705 1.00 13.25 H new ATOM 0 HE21 GLN A 87 -4.529 -17.019 -2.688 1.00 4.11 H new ATOM 0 HE22 GLN A 87 -5.023 -18.341 -3.750 1.00 4.11 H new ATOM 1449 N ASP A 88 -5.719 -15.741 3.240 1.00 62.33 N ATOM 1450 CA ASP A 88 -5.576 -16.013 4.678 1.00 23.01 C ATOM 1451 C ASP A 88 -5.777 -14.711 5.463 1.00 32.33 C ATOM 1452 O ASP A 88 -5.011 -13.760 5.285 1.00 54.10 O ATOM 1453 CB ASP A 88 -4.177 -16.605 4.986 1.00 53.03 C ATOM 1454 CG ASP A 88 -3.932 -16.844 6.488 1.00 53.25 C ATOM 1455 OD1 ASP A 88 -4.775 -17.495 7.145 1.00 4.41 O ATOM 1456 OD2 ASP A 88 -2.890 -16.402 7.008 1.00 22.43 O ATOM 0 H ASP A 88 -5.101 -15.001 2.907 1.00 62.33 H new ATOM 0 HA ASP A 88 -6.330 -16.742 4.977 1.00 23.01 H new ATOM 0 HB2 ASP A 88 -4.064 -17.549 4.452 1.00 53.03 H new ATOM 0 HB3 ASP A 88 -3.412 -15.929 4.604 1.00 53.03 H new ATOM 1461 N GLN A 89 -6.801 -14.684 6.335 1.00 12.05 N ATOM 1462 CA GLN A 89 -7.102 -13.517 7.184 1.00 4.12 C ATOM 1463 C GLN A 89 -6.081 -13.388 8.332 1.00 13.35 C ATOM 1464 O GLN A 89 -5.815 -12.280 8.783 1.00 52.30 O ATOM 1465 CB GLN A 89 -8.564 -13.598 7.726 1.00 75.33 C ATOM 1466 CG GLN A 89 -8.987 -12.465 8.710 1.00 1.11 C ATOM 1467 CD GLN A 89 -8.761 -11.034 8.181 1.00 14.11 C ATOM 1468 OE1 GLN A 89 -8.835 -10.767 6.983 1.00 33.33 O ATOM 1469 NE2 GLN A 89 -8.478 -10.101 9.080 1.00 4.13 N ATOM 0 H GLN A 89 -7.441 -15.467 6.471 1.00 12.05 H new ATOM 0 HA GLN A 89 -7.019 -12.618 6.574 1.00 4.12 H new ATOM 0 HB2 GLN A 89 -9.247 -13.589 6.877 1.00 75.33 H new ATOM 0 HB3 GLN A 89 -8.692 -14.557 8.229 1.00 75.33 H new ATOM 0 HG2 GLN A 89 -10.043 -12.586 8.950 1.00 1.11 H new ATOM 0 HG3 GLN A 89 -8.433 -12.585 9.641 1.00 1.11 H new ATOM 0 HE21 GLN A 89 -8.422 -10.346 10.069 1.00 4.13 H new ATOM 0 HE22 GLN A 89 -8.317 -9.139 8.783 1.00 4.13 H new ATOM 1478 N GLU A 90 -5.483 -14.516 8.772 1.00 61.42 N ATOM 1479 CA GLU A 90 -4.540 -14.526 9.916 1.00 3.10 C ATOM 1480 C GLU A 90 -3.265 -13.701 9.621 1.00 0.02 C ATOM 1481 O GLU A 90 -2.767 -13.002 10.506 1.00 13.33 O ATOM 1482 CB GLU A 90 -4.187 -15.980 10.313 1.00 62.34 C ATOM 1483 CG GLU A 90 -5.393 -16.799 10.819 1.00 53.33 C ATOM 1484 CD GLU A 90 -5.029 -18.245 11.198 1.00 52.50 C ATOM 1485 OE1 GLU A 90 -5.223 -19.162 10.367 1.00 25.42 O ATOM 1486 OE2 GLU A 90 -4.537 -18.471 12.330 1.00 21.10 O ATOM 0 H GLU A 90 -5.636 -15.433 8.353 1.00 61.42 H new ATOM 0 HA GLU A 90 -5.038 -14.049 10.760 1.00 3.10 H new ATOM 0 HB2 GLU A 90 -3.752 -16.486 9.451 1.00 62.34 H new ATOM 0 HB3 GLU A 90 -3.423 -15.959 11.090 1.00 62.34 H new ATOM 0 HG2 GLU A 90 -5.824 -16.300 11.687 1.00 53.33 H new ATOM 0 HG3 GLU A 90 -6.162 -16.816 10.047 1.00 53.33 H new ATOM 1493 N GLU A 91 -2.766 -13.777 8.368 1.00 43.11 N ATOM 1494 CA GLU A 91 -1.632 -12.953 7.893 1.00 33.21 C ATOM 1495 C GLU A 91 -1.995 -11.459 7.996 1.00 65.44 C ATOM 1496 O GLU A 91 -1.291 -10.668 8.633 1.00 52.11 O ATOM 1497 CB GLU A 91 -1.301 -13.310 6.414 1.00 32.30 C ATOM 1498 CG GLU A 91 -0.134 -12.509 5.784 1.00 72.24 C ATOM 1499 CD GLU A 91 1.239 -12.795 6.431 1.00 1.21 C ATOM 1500 OE1 GLU A 91 1.635 -12.080 7.374 1.00 40.51 O ATOM 1501 OE2 GLU A 91 1.919 -13.757 6.003 1.00 23.33 O ATOM 0 H GLU A 91 -3.137 -14.409 7.659 1.00 43.11 H new ATOM 0 HA GLU A 91 -0.760 -13.156 8.514 1.00 33.21 H new ATOM 0 HB2 GLU A 91 -1.062 -14.372 6.359 1.00 32.30 H new ATOM 0 HB3 GLU A 91 -2.195 -13.153 5.811 1.00 32.30 H new ATOM 0 HG2 GLU A 91 -0.079 -12.741 4.720 1.00 72.24 H new ATOM 0 HG3 GLU A 91 -0.350 -11.444 5.868 1.00 72.24 H new ATOM 1508 N LEU A 92 -3.149 -11.139 7.388 1.00 74.10 N ATOM 1509 CA LEU A 92 -3.716 -9.778 7.296 1.00 62.22 C ATOM 1510 C LEU A 92 -3.897 -9.155 8.689 1.00 33.15 C ATOM 1511 O LEU A 92 -3.506 -8.014 8.927 1.00 4.30 O ATOM 1512 CB LEU A 92 -5.095 -9.854 6.565 1.00 54.52 C ATOM 1513 CG LEU A 92 -5.088 -9.948 5.000 1.00 63.24 C ATOM 1514 CD1 LEU A 92 -3.988 -10.871 4.442 1.00 22.25 C ATOM 1515 CD2 LEU A 92 -6.482 -10.365 4.475 1.00 30.51 C ATOM 0 H LEU A 92 -3.733 -11.840 6.932 1.00 74.10 H new ATOM 0 HA LEU A 92 -3.026 -9.147 6.736 1.00 62.22 H new ATOM 0 HB2 LEU A 92 -5.631 -10.721 6.950 1.00 54.52 H new ATOM 0 HB3 LEU A 92 -5.672 -8.973 6.845 1.00 54.52 H new ATOM 0 HG LEU A 92 -4.851 -8.949 4.634 1.00 63.24 H new ATOM 0 HD11 LEU A 92 -4.044 -10.887 3.354 1.00 22.25 H new ATOM 0 HD12 LEU A 92 -3.011 -10.499 4.750 1.00 22.25 H new ATOM 0 HD13 LEU A 92 -4.130 -11.881 4.828 1.00 22.25 H new ATOM 0 HD21 LEU A 92 -6.458 -10.425 3.387 1.00 30.51 H new ATOM 0 HD22 LEU A 92 -6.749 -11.338 4.886 1.00 30.51 H new ATOM 0 HD23 LEU A 92 -7.222 -9.626 4.781 1.00 30.51 H new ATOM 1527 N GLU A 93 -4.450 -9.966 9.596 1.00 12.14 N ATOM 1528 CA GLU A 93 -4.933 -9.539 10.914 1.00 10.34 C ATOM 1529 C GLU A 93 -3.782 -9.408 11.920 1.00 72.21 C ATOM 1530 O GLU A 93 -3.860 -8.596 12.856 1.00 25.42 O ATOM 1531 CB GLU A 93 -5.990 -10.561 11.404 1.00 24.30 C ATOM 1532 CG GLU A 93 -6.700 -10.196 12.719 1.00 55.03 C ATOM 1533 CD GLU A 93 -7.829 -11.176 13.061 1.00 34.41 C ATOM 1534 OE1 GLU A 93 -8.989 -10.921 12.669 1.00 31.22 O ATOM 1535 OE2 GLU A 93 -7.561 -12.209 13.710 1.00 70.32 O ATOM 0 H GLU A 93 -4.578 -10.964 9.430 1.00 12.14 H new ATOM 0 HA GLU A 93 -5.387 -8.551 10.830 1.00 10.34 H new ATOM 0 HB2 GLU A 93 -6.743 -10.681 10.625 1.00 24.30 H new ATOM 0 HB3 GLU A 93 -5.504 -11.529 11.529 1.00 24.30 H new ATOM 0 HG2 GLU A 93 -5.973 -10.185 13.531 1.00 55.03 H new ATOM 0 HG3 GLU A 93 -7.107 -9.188 12.642 1.00 55.03 H new ATOM 1542 N ARG A 94 -2.710 -10.198 11.721 1.00 55.15 N ATOM 1543 CA ARG A 94 -1.553 -10.188 12.629 1.00 35.30 C ATOM 1544 C ARG A 94 -0.715 -8.925 12.391 1.00 74.24 C ATOM 1545 O ARG A 94 -0.321 -8.238 13.342 1.00 33.42 O ATOM 1546 CB ARG A 94 -0.682 -11.474 12.474 1.00 24.01 C ATOM 1547 CG ARG A 94 0.101 -11.844 13.758 1.00 52.13 C ATOM 1548 CD ARG A 94 -0.853 -12.153 14.934 1.00 14.54 C ATOM 1549 NE ARG A 94 -0.159 -12.298 16.222 1.00 31.15 N ATOM 1550 CZ ARG A 94 -0.648 -11.890 17.408 1.00 14.43 C ATOM 1551 NH1 ARG A 94 -1.833 -11.282 17.498 1.00 21.35 N ATOM 1552 NH2 ARG A 94 0.050 -12.103 18.507 1.00 60.14 N ATOM 0 H ARG A 94 -2.623 -10.849 10.941 1.00 55.15 H new ATOM 0 HA ARG A 94 -1.926 -10.179 13.653 1.00 35.30 H new ATOM 0 HB2 ARG A 94 -1.326 -12.309 12.196 1.00 24.01 H new ATOM 0 HB3 ARG A 94 0.024 -11.330 11.656 1.00 24.01 H new ATOM 0 HG2 ARG A 94 0.733 -12.711 13.563 1.00 52.13 H new ATOM 0 HG3 ARG A 94 0.763 -11.022 14.031 1.00 52.13 H new ATOM 0 HD2 ARG A 94 -1.590 -11.354 15.014 1.00 14.54 H new ATOM 0 HD3 ARG A 94 -1.400 -13.071 14.718 1.00 14.54 H new ATOM 0 HE ARG A 94 0.760 -12.740 16.217 1.00 31.15 H new ATOM 0 HH11 ARG A 94 -2.387 -11.118 16.658 1.00 21.35 H new ATOM 0 HH12 ARG A 94 -2.184 -10.981 18.407 1.00 21.35 H new ATOM 0 HH21 ARG A 94 0.953 -12.574 18.454 1.00 60.14 H new ATOM 0 HH22 ARG A 94 -0.314 -11.797 19.409 1.00 60.14 H new ATOM 1566 N ILE A 95 -0.466 -8.622 11.105 1.00 54.44 N ATOM 1567 CA ILE A 95 0.258 -7.405 10.699 1.00 24.33 C ATOM 1568 C ILE A 95 -0.612 -6.153 10.976 1.00 15.22 C ATOM 1569 O ILE A 95 -0.091 -5.110 11.360 1.00 61.35 O ATOM 1570 CB ILE A 95 0.692 -7.465 9.185 1.00 73.20 C ATOM 1571 CG1 ILE A 95 1.396 -8.817 8.846 1.00 41.11 C ATOM 1572 CG2 ILE A 95 1.615 -6.276 8.818 1.00 44.21 C ATOM 1573 CD1 ILE A 95 2.664 -9.104 9.634 1.00 11.42 C ATOM 0 H ILE A 95 -0.758 -9.209 10.323 1.00 54.44 H new ATOM 0 HA ILE A 95 1.170 -7.339 11.293 1.00 24.33 H new ATOM 0 HB ILE A 95 -0.217 -7.394 8.588 1.00 73.20 H new ATOM 0 HG12 ILE A 95 0.689 -9.629 9.018 1.00 41.11 H new ATOM 0 HG13 ILE A 95 1.638 -8.825 7.783 1.00 41.11 H new ATOM 0 HG21 ILE A 95 1.897 -6.345 7.767 1.00 44.21 H new ATOM 0 HG22 ILE A 95 1.087 -5.338 8.991 1.00 44.21 H new ATOM 0 HG23 ILE A 95 2.511 -6.307 9.437 1.00 44.21 H new ATOM 0 HD11 ILE A 95 3.075 -10.065 9.324 1.00 11.42 H new ATOM 0 HD12 ILE A 95 3.396 -8.318 9.445 1.00 11.42 H new ATOM 0 HD13 ILE A 95 2.432 -9.135 10.699 1.00 11.42 H new ATOM 1585 N TYR A 96 -1.947 -6.297 10.804 1.00 25.20 N ATOM 1586 CA TYR A 96 -2.950 -5.258 11.166 1.00 61.14 C ATOM 1587 C TYR A 96 -2.788 -4.833 12.629 1.00 25.01 C ATOM 1588 O TYR A 96 -2.744 -3.642 12.937 1.00 32.23 O ATOM 1589 CB TYR A 96 -4.381 -5.826 10.921 1.00 75.33 C ATOM 1590 CG TYR A 96 -5.577 -4.926 11.301 1.00 4.41 C ATOM 1591 CD1 TYR A 96 -6.261 -4.184 10.337 1.00 21.20 C ATOM 1592 CD2 TYR A 96 -6.043 -4.848 12.622 1.00 12.42 C ATOM 1593 CE1 TYR A 96 -7.348 -3.394 10.676 1.00 5.44 C ATOM 1594 CE2 TYR A 96 -7.123 -4.057 12.962 1.00 31.22 C ATOM 1595 CZ TYR A 96 -7.771 -3.333 11.990 1.00 60.13 C ATOM 1596 OH TYR A 96 -8.846 -2.540 12.335 1.00 54.51 O ATOM 0 H TYR A 96 -2.364 -7.140 10.409 1.00 25.20 H new ATOM 0 HA TYR A 96 -2.795 -4.377 10.543 1.00 61.14 H new ATOM 0 HB2 TYR A 96 -4.469 -6.074 9.863 1.00 75.33 H new ATOM 0 HB3 TYR A 96 -4.472 -6.760 11.476 1.00 75.33 H new ATOM 0 HD1 TYR A 96 -5.937 -4.226 9.308 1.00 21.20 H new ATOM 0 HD2 TYR A 96 -5.545 -5.420 13.391 1.00 12.42 H new ATOM 0 HE1 TYR A 96 -7.863 -2.827 9.915 1.00 5.44 H new ATOM 0 HE2 TYR A 96 -7.457 -4.008 13.988 1.00 31.22 H new ATOM 0 HH TYR A 96 -9.011 -2.614 13.298 1.00 54.51 H new ATOM 1606 N GLU A 97 -2.686 -5.845 13.510 1.00 33.54 N ATOM 1607 CA GLU A 97 -2.599 -5.653 14.967 1.00 22.05 C ATOM 1608 C GLU A 97 -1.324 -4.839 15.317 1.00 31.44 C ATOM 1609 O GLU A 97 -1.330 -4.054 16.259 1.00 34.41 O ATOM 1610 CB GLU A 97 -2.633 -7.054 15.669 1.00 60.01 C ATOM 1611 CG GLU A 97 -3.220 -7.108 17.107 1.00 13.00 C ATOM 1612 CD GLU A 97 -2.370 -6.410 18.190 1.00 2.03 C ATOM 1613 OE1 GLU A 97 -1.362 -6.998 18.646 1.00 72.00 O ATOM 1614 OE2 GLU A 97 -2.718 -5.278 18.606 1.00 61.11 O ATOM 0 H GLU A 97 -2.662 -6.825 13.228 1.00 33.54 H new ATOM 0 HA GLU A 97 -3.450 -5.078 15.331 1.00 22.05 H new ATOM 0 HB2 GLU A 97 -3.210 -7.733 15.042 1.00 60.01 H new ATOM 0 HB3 GLU A 97 -1.614 -7.440 15.704 1.00 60.01 H new ATOM 0 HG2 GLU A 97 -4.210 -6.653 17.095 1.00 13.00 H new ATOM 0 HG3 GLU A 97 -3.353 -8.152 17.389 1.00 13.00 H new ATOM 1621 N GLN A 98 -0.251 -5.010 14.511 1.00 22.42 N ATOM 1622 CA GLN A 98 0.997 -4.230 14.653 1.00 71.21 C ATOM 1623 C GLN A 98 0.778 -2.764 14.217 1.00 55.12 C ATOM 1624 O GLN A 98 0.931 -1.845 15.021 1.00 52.24 O ATOM 1625 CB GLN A 98 2.151 -4.890 13.825 1.00 32.04 C ATOM 1626 CG GLN A 98 3.452 -4.050 13.672 1.00 54.41 C ATOM 1627 CD GLN A 98 4.107 -3.656 14.999 1.00 44.23 C ATOM 1628 OE1 GLN A 98 4.940 -4.383 15.533 1.00 72.44 O ATOM 1629 NE2 GLN A 98 3.764 -2.489 15.530 1.00 0.30 N ATOM 0 H GLN A 98 -0.227 -5.688 13.749 1.00 22.42 H new ATOM 0 HA GLN A 98 1.286 -4.230 15.704 1.00 71.21 H new ATOM 0 HB2 GLN A 98 2.409 -5.840 14.293 1.00 32.04 H new ATOM 0 HB3 GLN A 98 1.771 -5.118 12.829 1.00 32.04 H new ATOM 0 HG2 GLN A 98 4.170 -4.618 13.080 1.00 54.41 H new ATOM 0 HG3 GLN A 98 3.222 -3.144 13.111 1.00 54.41 H new ATOM 0 HE21 GLN A 98 3.069 -1.903 15.067 1.00 0.30 H new ATOM 0 HE22 GLN A 98 4.195 -2.178 16.401 1.00 0.30 H new ATOM 1638 N LEU A 99 0.384 -2.577 12.951 1.00 52.54 N ATOM 1639 CA LEU A 99 0.389 -1.260 12.278 1.00 40.41 C ATOM 1640 C LEU A 99 -0.648 -0.285 12.869 1.00 74.44 C ATOM 1641 O LEU A 99 -0.444 0.935 12.856 1.00 61.11 O ATOM 1642 CB LEU A 99 0.125 -1.460 10.773 1.00 44.42 C ATOM 1643 CG LEU A 99 1.070 -2.457 10.032 1.00 61.14 C ATOM 1644 CD1 LEU A 99 0.654 -2.633 8.563 1.00 31.12 C ATOM 1645 CD2 LEU A 99 2.544 -2.042 10.149 1.00 70.54 C ATOM 0 H LEU A 99 0.050 -3.336 12.357 1.00 52.54 H new ATOM 0 HA LEU A 99 1.370 -0.812 12.438 1.00 40.41 H new ATOM 0 HB2 LEU A 99 -0.902 -1.805 10.649 1.00 44.42 H new ATOM 0 HB3 LEU A 99 0.197 -0.490 10.281 1.00 44.42 H new ATOM 0 HG LEU A 99 0.968 -3.424 10.525 1.00 61.14 H new ATOM 0 HD11 LEU A 99 1.332 -3.333 8.074 1.00 31.12 H new ATOM 0 HD12 LEU A 99 -0.364 -3.021 8.517 1.00 31.12 H new ATOM 0 HD13 LEU A 99 0.699 -1.670 8.054 1.00 31.12 H new ATOM 0 HD21 LEU A 99 3.168 -2.762 9.620 1.00 70.54 H new ATOM 0 HD22 LEU A 99 2.680 -1.053 9.711 1.00 70.54 H new ATOM 0 HD23 LEU A 99 2.832 -2.016 11.200 1.00 70.54 H new ATOM 1657 N LYS A 100 -1.755 -0.842 13.382 1.00 30.02 N ATOM 1658 CA LYS A 100 -2.858 -0.057 13.962 1.00 62.01 C ATOM 1659 C LYS A 100 -2.374 0.630 15.273 1.00 64.23 C ATOM 1660 O LYS A 100 -2.851 1.715 15.611 1.00 11.24 O ATOM 1661 CB LYS A 100 -4.114 -0.983 14.176 1.00 4.12 C ATOM 1662 CG LYS A 100 -5.509 -0.302 14.031 1.00 31.33 C ATOM 1663 CD LYS A 100 -5.916 0.589 15.226 1.00 2.44 C ATOM 1664 CE LYS A 100 -6.159 -0.211 16.519 1.00 13.10 C ATOM 1665 NZ LYS A 100 -6.522 0.674 17.662 1.00 1.31 N ATOM 0 H LYS A 100 -1.912 -1.850 13.407 1.00 30.02 H new ATOM 0 HA LYS A 100 -3.164 0.737 13.280 1.00 62.01 H new ATOM 0 HB2 LYS A 100 -4.059 -1.804 13.462 1.00 4.12 H new ATOM 0 HB3 LYS A 100 -4.050 -1.422 15.172 1.00 4.12 H new ATOM 0 HG2 LYS A 100 -5.510 0.304 13.125 1.00 31.33 H new ATOM 0 HG3 LYS A 100 -6.265 -1.076 13.898 1.00 31.33 H new ATOM 0 HD2 LYS A 100 -5.134 1.328 15.404 1.00 2.44 H new ATOM 0 HD3 LYS A 100 -6.822 1.139 14.970 1.00 2.44 H new ATOM 0 HE2 LYS A 100 -6.957 -0.935 16.353 1.00 13.10 H new ATOM 0 HE3 LYS A 100 -5.262 -0.777 16.769 1.00 13.10 H new ATOM 0 HZ1 LYS A 100 -6.677 0.096 18.513 1.00 1.31 H new ATOM 0 HZ2 LYS A 100 -5.750 1.349 17.838 1.00 1.31 H new ATOM 0 HZ3 LYS A 100 -7.392 1.196 17.434 1.00 1.31 H new ATOM 1679 N LYS A 101 -1.388 0.000 15.975 1.00 43.31 N ATOM 1680 CA LYS A 101 -0.705 0.603 17.160 1.00 5.13 C ATOM 1681 C LYS A 101 -0.007 1.921 16.770 1.00 44.22 C ATOM 1682 O LYS A 101 -0.069 2.914 17.499 1.00 44.11 O ATOM 1683 CB LYS A 101 0.372 -0.349 17.761 1.00 64.33 C ATOM 1684 CG LYS A 101 -0.114 -1.752 18.171 1.00 23.15 C ATOM 1685 CD LYS A 101 1.052 -2.640 18.683 1.00 64.24 C ATOM 1686 CE LYS A 101 0.646 -4.102 18.914 1.00 64.30 C ATOM 1687 NZ LYS A 101 -0.441 -4.238 19.912 1.00 72.12 N ATOM 0 H LYS A 101 -1.046 -0.932 15.739 1.00 43.31 H new ATOM 0 HA LYS A 101 -1.480 0.783 17.905 1.00 5.13 H new ATOM 0 HB2 LYS A 101 1.174 -0.464 17.031 1.00 64.33 H new ATOM 0 HB3 LYS A 101 0.805 0.133 18.637 1.00 64.33 H new ATOM 0 HG2 LYS A 101 -0.871 -1.661 18.950 1.00 23.15 H new ATOM 0 HG3 LYS A 101 -0.591 -2.235 17.318 1.00 23.15 H new ATOM 0 HD2 LYS A 101 1.869 -2.607 17.962 1.00 64.24 H new ATOM 0 HD3 LYS A 101 1.433 -2.224 19.616 1.00 64.24 H new ATOM 0 HE2 LYS A 101 0.324 -4.540 17.969 1.00 64.30 H new ATOM 0 HE3 LYS A 101 1.515 -4.669 19.249 1.00 64.30 H new ATOM 0 HZ1 LYS A 101 -0.189 -4.975 20.602 1.00 72.12 H new ATOM 0 HZ2 LYS A 101 -0.574 -3.332 20.406 1.00 72.12 H new ATOM 0 HZ3 LYS A 101 -1.324 -4.502 19.430 1.00 72.12 H new ATOM 1701 N ASP A 102 0.644 1.895 15.588 1.00 4.14 N ATOM 1702 CA ASP A 102 1.427 3.024 15.040 1.00 25.01 C ATOM 1703 C ASP A 102 0.514 4.171 14.555 1.00 4.32 C ATOM 1704 O ASP A 102 1.009 5.234 14.165 1.00 61.32 O ATOM 1705 CB ASP A 102 2.307 2.521 13.863 1.00 20.12 C ATOM 1706 CG ASP A 102 3.251 1.379 14.255 1.00 64.14 C ATOM 1707 OD1 ASP A 102 2.832 0.206 14.223 1.00 11.24 O ATOM 1708 OD2 ASP A 102 4.414 1.650 14.608 1.00 52.40 O ATOM 0 H ASP A 102 0.641 1.077 14.978 1.00 4.14 H new ATOM 0 HA ASP A 102 2.058 3.416 15.838 1.00 25.01 H new ATOM 0 HB2 ASP A 102 1.660 2.186 13.052 1.00 20.12 H new ATOM 0 HB3 ASP A 102 2.896 3.353 13.477 1.00 20.12 H new ATOM 1713 N GLY A 103 -0.818 3.935 14.571 1.00 53.35 N ATOM 1714 CA GLY A 103 -1.800 4.911 14.100 1.00 62.23 C ATOM 1715 C GLY A 103 -1.919 4.919 12.585 1.00 42.31 C ATOM 1716 O GLY A 103 -2.299 5.926 11.987 1.00 15.31 O ATOM 0 H GLY A 103 -1.230 3.066 14.910 1.00 53.35 H new ATOM 0 HA2 GLY A 103 -2.772 4.686 14.538 1.00 62.23 H new ATOM 0 HA3 GLY A 103 -1.517 5.905 14.446 1.00 62.23 H new ATOM 1720 N VAL A 104 -1.563 3.785 11.969 1.00 43.52 N ATOM 1721 CA VAL A 104 -1.599 3.597 10.514 1.00 73.31 C ATOM 1722 C VAL A 104 -2.968 3.051 10.113 1.00 54.11 C ATOM 1723 O VAL A 104 -3.473 2.120 10.758 1.00 55.40 O ATOM 1724 CB VAL A 104 -0.455 2.616 10.066 1.00 20.23 C ATOM 1725 CG1 VAL A 104 -0.470 2.339 8.545 1.00 23.34 C ATOM 1726 CG2 VAL A 104 0.915 3.163 10.522 1.00 22.54 C ATOM 0 H VAL A 104 -1.237 2.961 12.475 1.00 43.52 H new ATOM 0 HA VAL A 104 -1.438 4.553 10.016 1.00 73.31 H new ATOM 0 HB VAL A 104 -0.635 1.656 10.551 1.00 20.23 H new ATOM 0 HG11 VAL A 104 0.341 1.656 8.292 1.00 23.34 H new ATOM 0 HG12 VAL A 104 -1.423 1.890 8.266 1.00 23.34 H new ATOM 0 HG13 VAL A 104 -0.338 3.276 8.003 1.00 23.34 H new ATOM 0 HG21 VAL A 104 1.703 2.478 10.208 1.00 22.54 H new ATOM 0 HG22 VAL A 104 1.084 4.141 10.072 1.00 22.54 H new ATOM 0 HG23 VAL A 104 0.926 3.256 11.608 1.00 22.54 H new ATOM 1736 N ASP A 105 -3.567 3.632 9.058 1.00 74.11 N ATOM 1737 CA ASP A 105 -4.880 3.207 8.575 1.00 23.12 C ATOM 1738 C ASP A 105 -4.699 1.947 7.718 1.00 31.11 C ATOM 1739 O ASP A 105 -4.145 1.991 6.609 1.00 75.13 O ATOM 1740 CB ASP A 105 -5.576 4.331 7.791 1.00 11.32 C ATOM 1741 CG ASP A 105 -7.054 4.019 7.479 1.00 20.42 C ATOM 1742 OD1 ASP A 105 -7.347 3.451 6.413 1.00 52.32 O ATOM 1743 OD2 ASP A 105 -7.932 4.354 8.305 1.00 14.02 O ATOM 0 H ASP A 105 -3.156 4.399 8.526 1.00 74.11 H new ATOM 0 HA ASP A 105 -5.526 2.977 9.422 1.00 23.12 H new ATOM 0 HB2 ASP A 105 -5.518 5.256 8.364 1.00 11.32 H new ATOM 0 HB3 ASP A 105 -5.041 4.501 6.857 1.00 11.32 H new ATOM 1748 N VAL A 106 -5.140 0.829 8.279 1.00 20.33 N ATOM 1749 CA VAL A 106 -4.925 -0.510 7.730 1.00 3.23 C ATOM 1750 C VAL A 106 -6.254 -1.152 7.321 1.00 31.02 C ATOM 1751 O VAL A 106 -7.190 -1.253 8.122 1.00 30.32 O ATOM 1752 CB VAL A 106 -4.132 -1.406 8.761 1.00 1.32 C ATOM 1753 CG1 VAL A 106 -2.623 -1.152 8.637 1.00 61.10 C ATOM 1754 CG2 VAL A 106 -4.587 -1.149 10.227 1.00 3.21 C ATOM 0 H VAL A 106 -5.671 0.824 9.150 1.00 20.33 H new ATOM 0 HA VAL A 106 -4.318 -0.426 6.829 1.00 3.23 H new ATOM 0 HB VAL A 106 -4.350 -2.446 8.520 1.00 1.32 H new ATOM 0 HG11 VAL A 106 -2.089 -1.776 9.353 1.00 61.10 H new ATOM 0 HG12 VAL A 106 -2.295 -1.397 7.627 1.00 61.10 H new ATOM 0 HG13 VAL A 106 -2.413 -0.102 8.843 1.00 61.10 H new ATOM 0 HG21 VAL A 106 -4.016 -1.786 10.902 1.00 3.21 H new ATOM 0 HG22 VAL A 106 -4.416 -0.103 10.483 1.00 3.21 H new ATOM 0 HG23 VAL A 106 -5.648 -1.377 10.324 1.00 3.21 H new ATOM 1764 N ARG A 107 -6.314 -1.569 6.044 1.00 63.34 N ATOM 1765 CA ARG A 107 -7.533 -2.068 5.393 1.00 5.44 C ATOM 1766 C ARG A 107 -7.267 -3.504 4.912 1.00 44.00 C ATOM 1767 O ARG A 107 -6.437 -3.727 4.019 1.00 43.03 O ATOM 1768 CB ARG A 107 -7.921 -1.123 4.206 1.00 30.34 C ATOM 1769 CG ARG A 107 -7.730 0.381 4.529 1.00 50.11 C ATOM 1770 CD ARG A 107 -8.248 1.332 3.441 1.00 73.33 C ATOM 1771 NE ARG A 107 -9.717 1.451 3.437 1.00 33.25 N ATOM 1772 CZ ARG A 107 -10.445 2.155 4.333 1.00 25.43 C ATOM 1773 NH1 ARG A 107 -9.868 2.813 5.329 1.00 41.21 N ATOM 1774 NH2 ARG A 107 -11.761 2.222 4.201 1.00 55.24 N ATOM 0 H ARG A 107 -5.502 -1.568 5.427 1.00 63.34 H new ATOM 0 HA ARG A 107 -8.371 -2.078 6.090 1.00 5.44 H new ATOM 0 HB2 ARG A 107 -7.318 -1.379 3.335 1.00 30.34 H new ATOM 0 HB3 ARG A 107 -8.962 -1.300 3.936 1.00 30.34 H new ATOM 0 HG2 ARG A 107 -8.240 0.607 5.465 1.00 50.11 H new ATOM 0 HG3 ARG A 107 -6.669 0.574 4.689 1.00 50.11 H new ATOM 0 HD2 ARG A 107 -7.809 2.319 3.588 1.00 73.33 H new ATOM 0 HD3 ARG A 107 -7.914 0.977 2.466 1.00 73.33 H new ATOM 0 HE ARG A 107 -10.225 0.963 2.699 1.00 33.25 H new ATOM 0 HH11 ARG A 107 -8.853 2.795 5.432 1.00 41.21 H new ATOM 0 HH12 ARG A 107 -10.439 3.337 5.992 1.00 41.21 H new ATOM 0 HH21 ARG A 107 -12.221 1.744 3.426 1.00 55.24 H new ATOM 0 HH22 ARG A 107 -12.315 2.752 4.874 1.00 55.24 H new ATOM 1788 N VAL A 108 -7.949 -4.478 5.533 1.00 51.22 N ATOM 1789 CA VAL A 108 -7.736 -5.913 5.281 1.00 42.24 C ATOM 1790 C VAL A 108 -9.029 -6.560 4.756 1.00 2.14 C ATOM 1791 O VAL A 108 -10.134 -6.164 5.156 1.00 23.34 O ATOM 1792 CB VAL A 108 -7.238 -6.658 6.583 1.00 2.20 C ATOM 1793 CG1 VAL A 108 -5.889 -6.080 7.074 1.00 13.12 C ATOM 1794 CG2 VAL A 108 -8.296 -6.632 7.716 1.00 13.02 C ATOM 0 H VAL A 108 -8.670 -4.291 6.230 1.00 51.22 H new ATOM 0 HA VAL A 108 -6.959 -6.009 4.523 1.00 42.24 H new ATOM 0 HB VAL A 108 -7.086 -7.702 6.311 1.00 2.20 H new ATOM 0 HG11 VAL A 108 -5.570 -6.611 7.971 1.00 13.12 H new ATOM 0 HG12 VAL A 108 -5.137 -6.200 6.295 1.00 13.12 H new ATOM 0 HG13 VAL A 108 -6.009 -5.021 7.303 1.00 13.12 H new ATOM 0 HG21 VAL A 108 -7.907 -7.156 8.589 1.00 13.02 H new ATOM 0 HG22 VAL A 108 -8.518 -5.599 7.983 1.00 13.02 H new ATOM 0 HG23 VAL A 108 -9.207 -7.123 7.374 1.00 13.02 H new ATOM 1804 N THR A 109 -8.883 -7.525 3.830 1.00 62.01 N ATOM 1805 CA THR A 109 -10.010 -8.313 3.308 1.00 72.13 C ATOM 1806 C THR A 109 -9.493 -9.584 2.610 1.00 73.44 C ATOM 1807 O THR A 109 -8.563 -9.522 1.793 1.00 33.00 O ATOM 1808 CB THR A 109 -10.923 -7.477 2.339 1.00 30.22 C ATOM 1809 OG1 THR A 109 -11.996 -8.291 1.840 1.00 10.23 O ATOM 1810 CG2 THR A 109 -10.149 -6.857 1.154 1.00 3.35 C ATOM 0 H THR A 109 -7.982 -7.779 3.425 1.00 62.01 H new ATOM 0 HA THR A 109 -10.629 -8.600 4.158 1.00 72.13 H new ATOM 0 HB THR A 109 -11.319 -6.651 2.929 1.00 30.22 H new ATOM 0 HG1 THR A 109 -11.769 -8.619 0.945 1.00 10.23 H new ATOM 0 HG21 THR A 109 -10.838 -6.294 0.524 1.00 3.35 H new ATOM 0 HG22 THR A 109 -9.376 -6.189 1.534 1.00 3.35 H new ATOM 0 HG23 THR A 109 -9.687 -7.650 0.566 1.00 3.35 H new ATOM 1818 N ASP A 110 -10.082 -10.745 2.957 1.00 10.32 N ATOM 1819 CA ASP A 110 -9.700 -12.039 2.362 1.00 11.12 C ATOM 1820 C ASP A 110 -10.611 -12.350 1.150 1.00 73.25 C ATOM 1821 O ASP A 110 -11.645 -13.022 1.268 1.00 4.34 O ATOM 1822 CB ASP A 110 -9.706 -13.183 3.441 1.00 11.11 C ATOM 1823 CG ASP A 110 -11.050 -13.368 4.190 1.00 64.34 C ATOM 1824 OD1 ASP A 110 -11.507 -12.409 4.845 1.00 62.33 O ATOM 1825 OD2 ASP A 110 -11.650 -14.464 4.131 1.00 50.24 O ATOM 0 H ASP A 110 -10.828 -10.812 3.650 1.00 10.32 H new ATOM 0 HA ASP A 110 -8.676 -11.978 1.993 1.00 11.12 H new ATOM 0 HB2 ASP A 110 -9.446 -14.123 2.954 1.00 11.11 H new ATOM 0 HB3 ASP A 110 -8.925 -12.976 4.173 1.00 11.11 H new ATOM 1830 N ASN A 111 -10.182 -11.816 -0.016 1.00 43.13 N ATOM 1831 CA ASN A 111 -10.849 -11.940 -1.344 1.00 3.22 C ATOM 1832 C ASN A 111 -10.158 -10.978 -2.332 1.00 54.25 C ATOM 1833 O ASN A 111 -9.274 -10.219 -1.936 1.00 3.41 O ATOM 1834 CB ASN A 111 -12.392 -11.649 -1.302 1.00 64.24 C ATOM 1835 CG ASN A 111 -12.784 -10.252 -0.783 1.00 21.32 C ATOM 1836 OD1 ASN A 111 -12.069 -9.266 -0.968 1.00 72.33 O ATOM 1837 ND2 ASN A 111 -13.941 -10.158 -0.137 1.00 63.35 N ATOM 0 H ASN A 111 -9.327 -11.263 -0.066 1.00 43.13 H new ATOM 0 HA ASN A 111 -10.748 -12.977 -1.666 1.00 3.22 H new ATOM 0 HB2 ASN A 111 -12.796 -11.772 -2.307 1.00 64.24 H new ATOM 0 HB3 ASN A 111 -12.870 -12.400 -0.673 1.00 64.24 H new ATOM 0 HD21 ASN A 111 -14.255 -9.255 0.218 1.00 63.35 H new ATOM 0 HD22 ASN A 111 -14.516 -10.989 0.004 1.00 63.35 H new ATOM 1844 N GLU A 112 -10.581 -10.991 -3.600 1.00 34.42 N ATOM 1845 CA GLU A 112 -10.047 -10.076 -4.629 1.00 51.43 C ATOM 1846 C GLU A 112 -11.003 -8.888 -4.859 1.00 2.00 C ATOM 1847 O GLU A 112 -10.552 -7.756 -5.067 1.00 11.24 O ATOM 1848 CB GLU A 112 -9.837 -10.839 -5.956 1.00 72.25 C ATOM 1849 CG GLU A 112 -9.190 -9.995 -7.079 1.00 12.55 C ATOM 1850 CD GLU A 112 -9.342 -10.627 -8.469 1.00 64.51 C ATOM 1851 OE1 GLU A 112 -10.275 -10.247 -9.210 1.00 4.20 O ATOM 1852 OE2 GLU A 112 -8.544 -11.514 -8.815 1.00 73.43 O ATOM 0 H GLU A 112 -11.298 -11.629 -3.946 1.00 34.42 H new ATOM 0 HA GLU A 112 -9.091 -9.688 -4.277 1.00 51.43 H new ATOM 0 HB2 GLU A 112 -9.211 -11.710 -5.765 1.00 72.25 H new ATOM 0 HB3 GLU A 112 -10.801 -11.209 -6.305 1.00 72.25 H new ATOM 0 HG2 GLU A 112 -9.641 -9.003 -7.086 1.00 12.55 H new ATOM 0 HG3 GLU A 112 -8.130 -9.862 -6.861 1.00 12.55 H new ATOM 1859 N ASP A 113 -12.321 -9.161 -4.805 1.00 15.24 N ATOM 1860 CA ASP A 113 -13.364 -8.182 -5.180 1.00 44.33 C ATOM 1861 C ASP A 113 -13.323 -6.927 -4.280 1.00 22.01 C ATOM 1862 O ASP A 113 -13.219 -5.809 -4.797 1.00 64.23 O ATOM 1863 CB ASP A 113 -14.776 -8.838 -5.176 1.00 1.11 C ATOM 1864 CG ASP A 113 -15.150 -9.493 -3.831 1.00 61.22 C ATOM 1865 OD1 ASP A 113 -15.885 -8.880 -3.025 1.00 40.23 O ATOM 1866 OD2 ASP A 113 -14.690 -10.621 -3.574 1.00 53.03 O ATOM 0 H ASP A 113 -12.693 -10.061 -4.502 1.00 15.24 H new ATOM 0 HA ASP A 113 -13.152 -7.853 -6.197 1.00 44.33 H new ATOM 0 HB2 ASP A 113 -15.520 -8.080 -5.420 1.00 1.11 H new ATOM 0 HB3 ASP A 113 -14.819 -9.592 -5.962 1.00 1.11 H new ATOM 1871 N GLU A 114 -13.359 -7.127 -2.938 1.00 50.32 N ATOM 1872 CA GLU A 114 -13.277 -6.018 -1.964 1.00 50.03 C ATOM 1873 C GLU A 114 -11.920 -5.315 -2.045 1.00 3.50 C ATOM 1874 O GLU A 114 -11.857 -4.110 -1.882 1.00 21.34 O ATOM 1875 CB GLU A 114 -13.527 -6.505 -0.512 1.00 65.31 C ATOM 1876 CG GLU A 114 -14.997 -6.766 -0.141 1.00 55.33 C ATOM 1877 CD GLU A 114 -15.824 -5.474 0.001 1.00 73.13 C ATOM 1878 OE1 GLU A 114 -16.865 -5.332 -0.670 1.00 23.30 O ATOM 1879 OE2 GLU A 114 -15.438 -4.596 0.803 1.00 52.41 O ATOM 0 H GLU A 114 -13.444 -8.049 -2.509 1.00 50.32 H new ATOM 0 HA GLU A 114 -14.062 -5.309 -2.226 1.00 50.03 H new ATOM 0 HB2 GLU A 114 -12.963 -7.424 -0.354 1.00 65.31 H new ATOM 0 HB3 GLU A 114 -13.124 -5.761 0.176 1.00 65.31 H new ATOM 0 HG2 GLU A 114 -15.451 -7.399 -0.904 1.00 55.33 H new ATOM 0 HG3 GLU A 114 -15.036 -7.320 0.797 1.00 55.33 H new ATOM 1886 N ALA A 115 -10.851 -6.086 -2.315 1.00 73.14 N ATOM 1887 CA ALA A 115 -9.480 -5.556 -2.439 1.00 53.01 C ATOM 1888 C ALA A 115 -9.393 -4.436 -3.488 1.00 31.03 C ATOM 1889 O ALA A 115 -8.774 -3.390 -3.259 1.00 22.22 O ATOM 1890 CB ALA A 115 -8.529 -6.694 -2.815 1.00 71.12 C ATOM 0 H ALA A 115 -10.913 -7.095 -2.454 1.00 73.14 H new ATOM 0 HA ALA A 115 -9.194 -5.130 -1.478 1.00 53.01 H new ATOM 0 HB1 ALA A 115 -7.515 -6.305 -2.907 1.00 71.12 H new ATOM 0 HB2 ALA A 115 -8.555 -7.460 -2.040 1.00 71.12 H new ATOM 0 HB3 ALA A 115 -8.839 -7.128 -3.765 1.00 71.12 H new ATOM 1896 N LYS A 116 -10.038 -4.693 -4.636 1.00 33.12 N ATOM 1897 CA LYS A 116 -10.076 -3.779 -5.783 1.00 53.53 C ATOM 1898 C LYS A 116 -10.954 -2.546 -5.489 1.00 13.14 C ATOM 1899 O LYS A 116 -10.665 -1.443 -5.971 1.00 3.52 O ATOM 1900 CB LYS A 116 -10.576 -4.562 -7.023 1.00 64.14 C ATOM 1901 CG LYS A 116 -9.641 -5.736 -7.435 1.00 21.34 C ATOM 1902 CD LYS A 116 -10.219 -6.626 -8.559 1.00 74.11 C ATOM 1903 CE LYS A 116 -10.406 -5.902 -9.901 1.00 35.13 C ATOM 1904 NZ LYS A 116 -11.048 -6.785 -10.914 1.00 34.13 N ATOM 0 H LYS A 116 -10.556 -5.557 -4.794 1.00 33.12 H new ATOM 0 HA LYS A 116 -9.074 -3.399 -5.982 1.00 53.53 H new ATOM 0 HB2 LYS A 116 -11.571 -4.956 -6.817 1.00 64.14 H new ATOM 0 HB3 LYS A 116 -10.673 -3.874 -7.863 1.00 64.14 H new ATOM 0 HG2 LYS A 116 -8.684 -5.329 -7.762 1.00 21.34 H new ATOM 0 HG3 LYS A 116 -9.442 -6.355 -6.560 1.00 21.34 H new ATOM 0 HD2 LYS A 116 -9.557 -7.479 -8.708 1.00 74.11 H new ATOM 0 HD3 LYS A 116 -11.182 -7.022 -8.235 1.00 74.11 H new ATOM 0 HE2 LYS A 116 -11.018 -5.012 -9.753 1.00 35.13 H new ATOM 0 HE3 LYS A 116 -9.438 -5.565 -10.272 1.00 35.13 H new ATOM 0 HZ1 LYS A 116 -11.159 -6.265 -11.808 1.00 34.13 H new ATOM 0 HZ2 LYS A 116 -10.452 -7.622 -11.073 1.00 34.13 H new ATOM 0 HZ3 LYS A 116 -11.982 -7.086 -10.570 1.00 34.13 H new ATOM 1918 N LYS A 117 -12.007 -2.741 -4.666 1.00 30.50 N ATOM 1919 CA LYS A 117 -12.905 -1.646 -4.239 1.00 31.33 C ATOM 1920 C LYS A 117 -12.165 -0.706 -3.271 1.00 44.25 C ATOM 1921 O LYS A 117 -12.229 0.515 -3.414 1.00 51.43 O ATOM 1922 CB LYS A 117 -14.198 -2.206 -3.563 1.00 22.43 C ATOM 1923 CG LYS A 117 -15.002 -3.200 -4.430 1.00 23.53 C ATOM 1924 CD LYS A 117 -15.510 -2.616 -5.768 1.00 21.33 C ATOM 1925 CE LYS A 117 -16.624 -1.577 -5.589 1.00 0.04 C ATOM 1926 NZ LYS A 117 -17.150 -1.120 -6.904 1.00 5.41 N ATOM 0 H LYS A 117 -12.257 -3.652 -4.282 1.00 30.50 H new ATOM 0 HA LYS A 117 -13.204 -1.087 -5.125 1.00 31.33 H new ATOM 0 HB2 LYS A 117 -13.920 -2.700 -2.632 1.00 22.43 H new ATOM 0 HB3 LYS A 117 -14.845 -1.369 -3.299 1.00 22.43 H new ATOM 0 HG2 LYS A 117 -14.377 -4.068 -4.641 1.00 23.53 H new ATOM 0 HG3 LYS A 117 -15.857 -3.555 -3.855 1.00 23.53 H new ATOM 0 HD2 LYS A 117 -14.675 -2.157 -6.297 1.00 21.33 H new ATOM 0 HD3 LYS A 117 -15.877 -3.428 -6.396 1.00 21.33 H new ATOM 0 HE2 LYS A 117 -17.434 -2.006 -5.000 1.00 0.04 H new ATOM 0 HE3 LYS A 117 -16.242 -0.723 -5.030 1.00 0.04 H new ATOM 0 HZ1 LYS A 117 -17.902 -0.418 -6.752 1.00 5.41 H new ATOM 0 HZ2 LYS A 117 -16.380 -0.689 -7.455 1.00 5.41 H new ATOM 0 HZ3 LYS A 117 -17.536 -1.933 -7.425 1.00 5.41 H new ATOM 1940 N ARG A 118 -11.422 -1.305 -2.316 1.00 1.22 N ATOM 1941 CA ARG A 118 -10.713 -0.569 -1.247 1.00 63.02 C ATOM 1942 C ARG A 118 -9.460 0.130 -1.799 1.00 44.14 C ATOM 1943 O ARG A 118 -9.006 1.129 -1.230 1.00 3.22 O ATOM 1944 CB ARG A 118 -10.361 -1.525 -0.062 1.00 51.41 C ATOM 1945 CG ARG A 118 -11.595 -2.233 0.564 1.00 43.01 C ATOM 1946 CD ARG A 118 -12.665 -1.259 1.098 1.00 1.43 C ATOM 1947 NE ARG A 118 -13.975 -1.902 1.290 1.00 65.12 N ATOM 1948 CZ ARG A 118 -15.111 -1.252 1.587 1.00 20.24 C ATOM 1949 NH1 ARG A 118 -15.127 0.072 1.737 1.00 73.23 N ATOM 1950 NH2 ARG A 118 -16.235 -1.935 1.699 1.00 70.02 N ATOM 0 H ARG A 118 -11.297 -2.316 -2.264 1.00 1.22 H new ATOM 0 HA ARG A 118 -11.377 0.206 -0.864 1.00 63.02 H new ATOM 0 HB2 ARG A 118 -9.660 -2.282 -0.415 1.00 51.41 H new ATOM 0 HB3 ARG A 118 -9.850 -0.954 0.713 1.00 51.41 H new ATOM 0 HG2 ARG A 118 -12.049 -2.882 -0.185 1.00 43.01 H new ATOM 0 HG3 ARG A 118 -11.260 -2.873 1.380 1.00 43.01 H new ATOM 0 HD2 ARG A 118 -12.328 -0.840 2.046 1.00 1.43 H new ATOM 0 HD3 ARG A 118 -12.772 -0.427 0.402 1.00 1.43 H new ATOM 0 HE ARG A 118 -14.023 -2.916 1.190 1.00 65.12 H new ATOM 0 HH11 ARG A 118 -14.266 0.608 1.626 1.00 73.23 H new ATOM 0 HH12 ARG A 118 -16.000 0.549 1.963 1.00 73.23 H new ATOM 0 HH21 ARG A 118 -16.234 -2.946 1.560 1.00 70.02 H new ATOM 0 HH22 ARG A 118 -17.105 -1.452 1.924 1.00 70.02 H new ATOM 1964 N LEU A 119 -8.914 -0.408 -2.912 1.00 41.41 N ATOM 1965 CA LEU A 119 -7.800 0.219 -3.645 1.00 14.51 C ATOM 1966 C LEU A 119 -8.306 1.544 -4.264 1.00 31.24 C ATOM 1967 O LEU A 119 -7.788 2.618 -3.952 1.00 42.24 O ATOM 1968 CB LEU A 119 -7.219 -0.742 -4.752 1.00 15.10 C ATOM 1969 CG LEU A 119 -5.649 -0.775 -4.900 1.00 51.24 C ATOM 1970 CD1 LEU A 119 -5.027 0.645 -4.959 1.00 43.41 C ATOM 1971 CD2 LEU A 119 -4.994 -1.621 -3.778 1.00 20.10 C ATOM 0 H LEU A 119 -9.234 -1.285 -3.323 1.00 41.41 H new ATOM 0 HA LEU A 119 -6.983 0.423 -2.953 1.00 14.51 H new ATOM 0 HB2 LEU A 119 -7.563 -1.754 -4.540 1.00 15.10 H new ATOM 0 HB3 LEU A 119 -7.647 -0.454 -5.712 1.00 15.10 H new ATOM 0 HG LEU A 119 -5.438 -1.254 -5.856 1.00 51.24 H new ATOM 0 HD11 LEU A 119 -3.945 0.564 -5.061 1.00 43.41 H new ATOM 0 HD12 LEU A 119 -5.433 1.185 -5.815 1.00 43.41 H new ATOM 0 HD13 LEU A 119 -5.266 1.185 -4.043 1.00 43.41 H new ATOM 0 HD21 LEU A 119 -3.912 -1.624 -3.909 1.00 20.10 H new ATOM 0 HD22 LEU A 119 -5.241 -1.192 -2.807 1.00 20.10 H new ATOM 0 HD23 LEU A 119 -5.368 -2.644 -3.828 1.00 20.10 H new ATOM 1983 N LYS A 120 -9.356 1.430 -5.110 1.00 4.22 N ATOM 1984 CA LYS A 120 -10.013 2.579 -5.787 1.00 5.41 C ATOM 1985 C LYS A 120 -10.508 3.639 -4.778 1.00 41.12 C ATOM 1986 O LYS A 120 -10.436 4.851 -5.039 1.00 33.12 O ATOM 1987 CB LYS A 120 -11.205 2.069 -6.644 1.00 43.52 C ATOM 1988 CG LYS A 120 -12.130 3.185 -7.200 1.00 43.23 C ATOM 1989 CD LYS A 120 -13.267 2.640 -8.084 1.00 32.03 C ATOM 1990 CE LYS A 120 -12.746 1.993 -9.377 1.00 11.11 C ATOM 1991 NZ LYS A 120 -11.988 2.959 -10.218 1.00 1.12 N ATOM 0 H LYS A 120 -9.777 0.531 -5.346 1.00 4.22 H new ATOM 0 HA LYS A 120 -9.271 3.056 -6.427 1.00 5.41 H new ATOM 0 HB2 LYS A 120 -10.812 1.492 -7.481 1.00 43.52 H new ATOM 0 HB3 LYS A 120 -11.804 1.388 -6.040 1.00 43.52 H new ATOM 0 HG2 LYS A 120 -12.560 3.741 -6.367 1.00 43.23 H new ATOM 0 HG3 LYS A 120 -11.533 3.889 -7.779 1.00 43.23 H new ATOM 0 HD2 LYS A 120 -13.842 1.906 -7.520 1.00 32.03 H new ATOM 0 HD3 LYS A 120 -13.948 3.452 -8.337 1.00 32.03 H new ATOM 0 HE2 LYS A 120 -12.104 1.149 -9.127 1.00 11.11 H new ATOM 0 HE3 LYS A 120 -13.586 1.596 -9.948 1.00 11.11 H new ATOM 0 HZ1 LYS A 120 -11.933 2.602 -11.193 1.00 1.12 H new ATOM 0 HZ2 LYS A 120 -12.473 3.879 -10.213 1.00 1.12 H new ATOM 0 HZ3 LYS A 120 -11.027 3.072 -9.836 1.00 1.12 H new ATOM 2005 N GLU A 121 -11.005 3.141 -3.636 1.00 41.43 N ATOM 2006 CA GLU A 121 -11.496 3.950 -2.512 1.00 64.44 C ATOM 2007 C GLU A 121 -10.426 4.958 -2.066 1.00 44.34 C ATOM 2008 O GLU A 121 -10.717 6.148 -1.906 1.00 34.11 O ATOM 2009 CB GLU A 121 -11.876 2.995 -1.358 1.00 52.22 C ATOM 2010 CG GLU A 121 -12.314 3.657 -0.042 1.00 51.21 C ATOM 2011 CD GLU A 121 -12.591 2.633 1.061 1.00 72.45 C ATOM 2012 OE1 GLU A 121 -13.701 2.622 1.639 1.00 2.43 O ATOM 2013 OE2 GLU A 121 -11.693 1.826 1.353 1.00 45.54 O ATOM 0 H GLU A 121 -11.078 2.138 -3.465 1.00 41.43 H new ATOM 0 HA GLU A 121 -12.372 4.522 -2.816 1.00 64.44 H new ATOM 0 HB2 GLU A 121 -12.684 2.348 -1.701 1.00 52.22 H new ATOM 0 HB3 GLU A 121 -11.020 2.353 -1.150 1.00 52.22 H new ATOM 0 HG2 GLU A 121 -11.537 4.345 0.292 1.00 51.21 H new ATOM 0 HG3 GLU A 121 -13.212 4.250 -0.218 1.00 51.21 H new ATOM 2020 N LEU A 122 -9.176 4.470 -1.932 1.00 23.53 N ATOM 2021 CA LEU A 122 -8.029 5.305 -1.547 1.00 21.03 C ATOM 2022 C LEU A 122 -7.757 6.377 -2.596 1.00 21.31 C ATOM 2023 O LEU A 122 -7.549 7.533 -2.242 1.00 14.14 O ATOM 2024 CB LEU A 122 -6.755 4.454 -1.324 1.00 31.20 C ATOM 2025 CG LEU A 122 -6.850 3.382 -0.204 1.00 1.24 C ATOM 2026 CD1 LEU A 122 -5.471 2.752 0.060 1.00 24.30 C ATOM 2027 CD2 LEU A 122 -7.481 3.962 1.083 1.00 24.22 C ATOM 0 H LEU A 122 -8.938 3.490 -2.088 1.00 23.53 H new ATOM 0 HA LEU A 122 -8.287 5.789 -0.605 1.00 21.03 H new ATOM 0 HB2 LEU A 122 -6.505 3.954 -2.260 1.00 31.20 H new ATOM 0 HB3 LEU A 122 -5.928 5.125 -1.091 1.00 31.20 H new ATOM 0 HG LEU A 122 -7.514 2.589 -0.546 1.00 1.24 H new ATOM 0 HD11 LEU A 122 -5.558 2.004 0.848 1.00 24.30 H new ATOM 0 HD12 LEU A 122 -5.107 2.279 -0.852 1.00 24.30 H new ATOM 0 HD13 LEU A 122 -4.771 3.527 0.371 1.00 24.30 H new ATOM 0 HD21 LEU A 122 -7.532 3.185 1.845 1.00 24.22 H new ATOM 0 HD22 LEU A 122 -6.870 4.788 1.447 1.00 24.22 H new ATOM 0 HD23 LEU A 122 -8.486 4.323 0.865 1.00 24.22 H new ATOM 2039 N LEU A 123 -7.799 5.983 -3.886 1.00 31.30 N ATOM 2040 CA LEU A 123 -7.576 6.906 -5.021 1.00 22.55 C ATOM 2041 C LEU A 123 -8.514 8.129 -4.955 1.00 31.04 C ATOM 2042 O LEU A 123 -8.106 9.240 -5.289 1.00 30.12 O ATOM 2043 CB LEU A 123 -7.722 6.171 -6.392 1.00 34.14 C ATOM 2044 CG LEU A 123 -6.458 5.405 -6.917 1.00 74.50 C ATOM 2045 CD1 LEU A 123 -5.235 6.340 -6.989 1.00 42.22 C ATOM 2046 CD2 LEU A 123 -6.142 4.135 -6.097 1.00 33.24 C ATOM 0 H LEU A 123 -7.987 5.022 -4.170 1.00 31.30 H new ATOM 0 HA LEU A 123 -6.551 7.268 -4.940 1.00 22.55 H new ATOM 0 HB2 LEU A 123 -8.543 5.458 -6.311 1.00 34.14 H new ATOM 0 HB3 LEU A 123 -8.011 6.906 -7.143 1.00 34.14 H new ATOM 0 HG LEU A 123 -6.695 5.069 -7.926 1.00 74.50 H new ATOM 0 HD11 LEU A 123 -4.373 5.783 -7.356 1.00 42.22 H new ATOM 0 HD12 LEU A 123 -5.448 7.167 -7.667 1.00 42.22 H new ATOM 0 HD13 LEU A 123 -5.018 6.732 -5.995 1.00 42.22 H new ATOM 0 HD21 LEU A 123 -5.258 3.648 -6.507 1.00 33.24 H new ATOM 0 HD22 LEU A 123 -5.956 4.409 -5.059 1.00 33.24 H new ATOM 0 HD23 LEU A 123 -6.989 3.450 -6.146 1.00 33.24 H new ATOM 2058 N GLU A 124 -9.754 7.909 -4.480 1.00 30.31 N ATOM 2059 CA GLU A 124 -10.732 8.994 -4.278 1.00 63.22 C ATOM 2060 C GLU A 124 -10.285 9.900 -3.127 1.00 5.42 C ATOM 2061 O GLU A 124 -10.085 11.092 -3.320 1.00 44.40 O ATOM 2062 CB GLU A 124 -12.131 8.413 -3.984 1.00 20.20 C ATOM 2063 CG GLU A 124 -12.685 7.510 -5.095 1.00 3.32 C ATOM 2064 CD GLU A 124 -14.051 6.924 -4.735 1.00 14.04 C ATOM 2065 OE1 GLU A 124 -15.079 7.396 -5.265 1.00 53.21 O ATOM 2066 OE2 GLU A 124 -14.106 5.998 -3.899 1.00 61.14 O ATOM 0 H GLU A 124 -10.103 6.985 -4.228 1.00 30.31 H new ATOM 0 HA GLU A 124 -10.787 9.585 -5.192 1.00 63.22 H new ATOM 0 HB2 GLU A 124 -12.087 7.843 -3.056 1.00 20.20 H new ATOM 0 HB3 GLU A 124 -12.827 9.236 -3.820 1.00 20.20 H new ATOM 0 HG2 GLU A 124 -12.769 8.083 -6.018 1.00 3.32 H new ATOM 0 HG3 GLU A 124 -11.982 6.699 -5.286 1.00 3.32 H new ATOM 2073 N LYS A 125 -10.052 9.267 -1.958 1.00 53.14 N ATOM 2074 CA LYS A 125 -9.755 9.951 -0.678 1.00 44.32 C ATOM 2075 C LYS A 125 -8.539 10.891 -0.797 1.00 41.41 C ATOM 2076 O LYS A 125 -8.586 12.044 -0.356 1.00 63.04 O ATOM 2077 CB LYS A 125 -9.509 8.881 0.428 1.00 22.25 C ATOM 2078 CG LYS A 125 -10.713 7.939 0.669 1.00 24.41 C ATOM 2079 CD LYS A 125 -10.386 6.743 1.593 1.00 44.22 C ATOM 2080 CE LYS A 125 -10.058 7.168 3.027 1.00 52.03 C ATOM 2081 NZ LYS A 125 -11.181 7.914 3.652 1.00 21.14 N ATOM 0 H LYS A 125 -10.065 8.251 -1.874 1.00 53.14 H new ATOM 0 HA LYS A 125 -10.612 10.570 -0.412 1.00 44.32 H new ATOM 0 HB2 LYS A 125 -8.641 8.282 0.153 1.00 22.25 H new ATOM 0 HB3 LYS A 125 -9.264 9.388 1.362 1.00 22.25 H new ATOM 0 HG2 LYS A 125 -11.531 8.512 1.106 1.00 24.41 H new ATOM 0 HG3 LYS A 125 -11.066 7.561 -0.290 1.00 24.41 H new ATOM 0 HD2 LYS A 125 -11.235 6.059 1.608 1.00 44.22 H new ATOM 0 HD3 LYS A 125 -9.540 6.193 1.180 1.00 44.22 H new ATOM 0 HE2 LYS A 125 -9.831 6.285 3.625 1.00 52.03 H new ATOM 0 HE3 LYS A 125 -9.164 7.791 3.026 1.00 52.03 H new ATOM 0 HZ1 LYS A 125 -11.018 7.993 4.676 1.00 21.14 H new ATOM 0 HZ2 LYS A 125 -11.239 8.866 3.237 1.00 21.14 H new ATOM 0 HZ3 LYS A 125 -12.073 7.407 3.481 1.00 21.14 H new ATOM 2095 N VAL A 126 -7.480 10.376 -1.437 1.00 3.12 N ATOM 2096 CA VAL A 126 -6.202 11.079 -1.628 1.00 72.44 C ATOM 2097 C VAL A 126 -6.374 12.316 -2.540 1.00 61.02 C ATOM 2098 O VAL A 126 -5.952 13.429 -2.181 1.00 10.25 O ATOM 2099 CB VAL A 126 -5.129 10.099 -2.247 1.00 35.11 C ATOM 2100 CG1 VAL A 126 -3.791 10.812 -2.520 1.00 61.11 C ATOM 2101 CG2 VAL A 126 -4.911 8.864 -1.341 1.00 22.11 C ATOM 0 H VAL A 126 -7.487 9.441 -1.845 1.00 3.12 H new ATOM 0 HA VAL A 126 -5.857 11.421 -0.652 1.00 72.44 H new ATOM 0 HB VAL A 126 -5.524 9.758 -3.204 1.00 35.11 H new ATOM 0 HG11 VAL A 126 -3.081 10.103 -2.945 1.00 61.11 H new ATOM 0 HG12 VAL A 126 -3.951 11.630 -3.222 1.00 61.11 H new ATOM 0 HG13 VAL A 126 -3.393 11.208 -1.586 1.00 61.11 H new ATOM 0 HG21 VAL A 126 -4.167 8.208 -1.793 1.00 22.11 H new ATOM 0 HG22 VAL A 126 -4.561 9.189 -0.361 1.00 22.11 H new ATOM 0 HG23 VAL A 126 -5.851 8.324 -1.229 1.00 22.11 H new