USER MOD reduce.3.24.130724 H: found=0, std=0, add=1005, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1005 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 103 LYS NZ :NH3+ -160:sc= 1.26 (180deg=-0.0368) USER MOD Set 1.2: A 107 GLN : amide:sc= 1.05 K(o=2.3,f=-5.1!) USER MOD Set 2.1: A 74 ASN : amide:sc= -0.519 X(o=-0.16,f=-0.012) USER MOD Set 2.2: A 77 SER OG : rot 180:sc= 0.357 USER MOD Set 3.1: A 62 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 70 TYR OH : rot -38:sc= 1.16 USER MOD Set 4.1: A 28 GLN : amide:sc= 2 K(o=3.2,f=-7.8!) USER MOD Set 4.2: A 47 LYS NZ :NH3+ -154:sc= 1.18 (180deg=0) USER MOD Set 5.1: A 42 SER OG : rot -66:sc= 1.2 USER MOD Set 5.2: A 46 THR OG1 : rot 95:sc= 2.05 USER MOD Set 5.3: A 81 TYR OH : rot -9:sc= 1.98 USER MOD Single : A 4 ASN : amide:sc= 0.363 K(o=0.36,f=-4.8!) USER MOD Single : A 5 HIS : no HD1:sc= -0.0491 X(o=-0.049,f=-0.049) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 79:sc= 1.27 USER MOD Single : A 13 THR OG1 : rot 74:sc= 1.1 USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 97:sc= 1.28 USER MOD Single : A 23 HIS : no HD1:sc= -0.225 X(o=-0.23,f=-0.27) USER MOD Single : A 31 LYS NZ :NH3+ 176:sc= 1.26 (180deg=1.17) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.63 K(o=-0.63,f=-0.096) USER MOD Single : A 44 SER OG : rot 70:sc= 1.12 USER MOD Single : A 53 LYS NZ :NH3+ 151:sc= 2.06 (180deg=1.2) USER MOD Single : A 54 SER OG : rot -120:sc= 0.146 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0434 USER MOD Single : A 64 ASN : amide:sc= 0.802 K(o=0.8,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0.00922 USER MOD Single : A 68 LYS NZ :NH3+ 149:sc= 2.46 (180deg=2.13) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0.503 K(o=0.5,f=-0.15) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 62:sc= 1.31 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 83:sc= 1.32 USER MOD Single : A 90 LYS NZ :NH3+ 164:sc= 1.2 (180deg=0.975) USER MOD Single : A 95 SER OG : rot -159:sc= 0.00523 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.14) USER MOD Single : A 131 SER OG : rot 75:sc= 1.27 USER MOD Single : A 136 THR OG1 : rot 90:sc= 1.26 USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 52 N ASN A 4 5.467 10.149 5.088 1.00 0.00 N ATOM 53 CA ASN A 4 5.267 9.148 6.133 1.00 0.00 C ATOM 54 C ASN A 4 6.527 9.156 7.000 1.00 0.00 C ATOM 55 O ASN A 4 7.584 9.566 6.519 1.00 0.00 O ATOM 56 CB ASN A 4 5.052 7.761 5.499 1.00 0.00 C ATOM 57 CG ASN A 4 4.837 6.684 6.558 1.00 0.00 C ATOM 58 OD1 ASN A 4 5.788 6.086 7.050 1.00 0.00 O ATOM 59 ND2 ASN A 4 3.602 6.452 6.971 1.00 0.00 N ATOM 0 HA ASN A 4 4.386 9.373 6.734 1.00 0.00 H new ATOM 0 HB2 ASN A 4 4.189 7.795 4.834 1.00 0.00 H new ATOM 0 HB3 ASN A 4 5.916 7.503 4.887 1.00 0.00 H new ATOM 0 HD21 ASN A 4 3.431 5.768 7.708 1.00 0.00 H new ATOM 0 HD22 ASN A 4 2.821 6.957 6.552 1.00 0.00 H new ATOM 66 N HIS A 5 6.453 8.676 8.242 1.00 0.00 N ATOM 67 CA HIS A 5 7.593 8.618 9.153 1.00 0.00 C ATOM 68 C HIS A 5 8.799 7.883 8.552 1.00 0.00 C ATOM 69 O HIS A 5 9.933 8.290 8.802 1.00 0.00 O ATOM 70 CB HIS A 5 7.171 7.956 10.474 1.00 0.00 C ATOM 71 CG HIS A 5 6.014 8.641 11.162 1.00 0.00 C ATOM 72 ND1 HIS A 5 6.010 9.912 11.697 1.00 0.00 N ATOM 73 CD2 HIS A 5 4.765 8.115 11.368 1.00 0.00 C ATOM 74 CE1 HIS A 5 4.790 10.144 12.210 1.00 0.00 C ATOM 75 NE2 HIS A 5 3.990 9.075 12.033 1.00 0.00 N ATOM 0 H HIS A 5 5.590 8.313 8.647 1.00 0.00 H new ATOM 0 HA HIS A 5 7.911 9.644 9.337 1.00 0.00 H new ATOM 0 HB2 HIS A 5 6.901 6.918 10.279 1.00 0.00 H new ATOM 0 HB3 HIS A 5 8.026 7.941 11.150 1.00 0.00 H new ATOM 0 HD2 HIS A 5 4.435 7.131 11.069 1.00 0.00 H new ATOM 0 HE1 HIS A 5 4.492 11.061 12.697 1.00 0.00 H new ATOM 0 HE2 HIS A 5 3.017 8.983 12.324 1.00 0.00 H new ATOM 83 N GLU A 6 8.591 6.836 7.744 1.00 0.00 N ATOM 84 CA GLU A 6 9.707 6.110 7.131 1.00 0.00 C ATOM 85 C GLU A 6 10.428 6.978 6.091 1.00 0.00 C ATOM 86 O GLU A 6 11.650 6.947 5.975 1.00 0.00 O ATOM 87 CB GLU A 6 9.248 4.764 6.549 1.00 0.00 C ATOM 88 CG GLU A 6 8.478 4.824 5.220 1.00 0.00 C ATOM 89 CD GLU A 6 7.993 3.427 4.798 1.00 0.00 C ATOM 90 OE1 GLU A 6 8.767 2.702 4.133 1.00 0.00 O ATOM 91 OE2 GLU A 6 6.839 3.048 5.105 1.00 0.00 O ATOM 0 H GLU A 6 7.668 6.476 7.502 1.00 0.00 H new ATOM 0 HA GLU A 6 10.431 5.883 7.914 1.00 0.00 H new ATOM 0 HB2 GLU A 6 10.127 4.135 6.407 1.00 0.00 H new ATOM 0 HB3 GLU A 6 8.618 4.269 7.288 1.00 0.00 H new ATOM 0 HG2 GLU A 6 7.624 5.494 5.321 1.00 0.00 H new ATOM 0 HG3 GLU A 6 9.119 5.240 4.443 1.00 0.00 H new ATOM 98 N ILE A 7 9.675 7.793 5.359 1.00 0.00 N ATOM 99 CA ILE A 7 10.214 8.702 4.357 1.00 0.00 C ATOM 100 C ILE A 7 10.935 9.842 5.086 1.00 0.00 C ATOM 101 O ILE A 7 12.050 10.204 4.712 1.00 0.00 O ATOM 102 CB ILE A 7 9.051 9.187 3.451 1.00 0.00 C ATOM 103 CG1 ILE A 7 8.338 8.017 2.727 1.00 0.00 C ATOM 104 CG2 ILE A 7 9.437 10.276 2.438 1.00 0.00 C ATOM 105 CD1 ILE A 7 9.197 7.198 1.745 1.00 0.00 C ATOM 0 H ILE A 7 8.660 7.840 5.447 1.00 0.00 H new ATOM 0 HA ILE A 7 10.942 8.218 3.707 1.00 0.00 H new ATOM 0 HB ILE A 7 8.354 9.649 4.150 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.941 7.339 3.482 1.00 0.00 H new ATOM 0 HG13 ILE A 7 7.485 8.421 2.181 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.562 10.552 1.850 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.808 11.152 2.970 1.00 0.00 H new ATOM 0 HG23 ILE A 7 10.215 9.897 1.775 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.590 6.409 1.301 1.00 0.00 H new ATOM 0 HD12 ILE A 7 9.574 7.852 0.959 1.00 0.00 H new ATOM 0 HD13 ILE A 7 10.036 6.753 2.280 1.00 0.00 H new ATOM 117 N ASP A 8 10.329 10.379 6.148 1.00 0.00 N ATOM 118 CA ASP A 8 10.870 11.503 6.907 1.00 0.00 C ATOM 119 C ASP A 8 12.169 11.137 7.627 1.00 0.00 C ATOM 120 O ASP A 8 13.103 11.942 7.651 1.00 0.00 O ATOM 121 CB ASP A 8 9.833 11.979 7.927 1.00 0.00 C ATOM 122 CG ASP A 8 10.389 13.121 8.793 1.00 0.00 C ATOM 123 OD1 ASP A 8 10.451 14.272 8.308 1.00 0.00 O ATOM 124 OD2 ASP A 8 10.719 12.881 9.976 1.00 0.00 O ATOM 0 H ASP A 8 9.437 10.039 6.507 1.00 0.00 H new ATOM 0 HA ASP A 8 11.097 12.301 6.201 1.00 0.00 H new ATOM 0 HB2 ASP A 8 8.936 12.316 7.407 1.00 0.00 H new ATOM 0 HB3 ASP A 8 9.537 11.146 8.565 1.00 0.00 H new ATOM 129 N THR A 9 12.260 9.926 8.185 1.00 0.00 N ATOM 130 CA THR A 9 13.456 9.493 8.895 1.00 0.00 C ATOM 131 C THR A 9 14.595 9.254 7.892 1.00 0.00 C ATOM 132 O THR A 9 15.734 9.635 8.172 1.00 0.00 O ATOM 133 CB THR A 9 13.125 8.295 9.815 1.00 0.00 C ATOM 134 OG1 THR A 9 14.069 8.174 10.862 1.00 0.00 O ATOM 135 CG2 THR A 9 13.039 6.945 9.099 1.00 0.00 C ATOM 0 H THR A 9 11.515 9.230 8.156 1.00 0.00 H new ATOM 0 HA THR A 9 13.818 10.272 9.566 1.00 0.00 H new ATOM 0 HB THR A 9 12.133 8.527 10.203 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.833 7.410 11.428 1.00 0.00 H new ATOM 0 HG21 THR A 9 12.803 6.164 9.822 1.00 0.00 H new ATOM 0 HG22 THR A 9 12.258 6.985 8.340 1.00 0.00 H new ATOM 0 HG23 THR A 9 13.995 6.723 8.624 1.00 0.00 H new ATOM 143 N ILE A 10 14.304 8.702 6.701 1.00 0.00 N ATOM 144 CA ILE A 10 15.300 8.563 5.641 1.00 0.00 C ATOM 145 C ILE A 10 15.778 9.955 5.237 1.00 0.00 C ATOM 146 O ILE A 10 16.984 10.197 5.265 1.00 0.00 O ATOM 147 CB ILE A 10 14.741 7.748 4.449 1.00 0.00 C ATOM 148 CG1 ILE A 10 14.599 6.268 4.867 1.00 0.00 C ATOM 149 CG2 ILE A 10 15.643 7.864 3.200 1.00 0.00 C ATOM 150 CD1 ILE A 10 13.744 5.450 3.894 1.00 0.00 C ATOM 0 H ILE A 10 13.381 8.345 6.454 1.00 0.00 H new ATOM 0 HA ILE A 10 16.158 7.997 6.005 1.00 0.00 H new ATOM 0 HB ILE A 10 13.766 8.156 4.184 1.00 0.00 H new ATOM 0 HG12 ILE A 10 15.590 5.819 4.937 1.00 0.00 H new ATOM 0 HG13 ILE A 10 14.156 6.218 5.862 1.00 0.00 H new ATOM 0 HG21 ILE A 10 15.215 7.278 2.387 1.00 0.00 H new ATOM 0 HG22 ILE A 10 15.712 8.909 2.897 1.00 0.00 H new ATOM 0 HG23 ILE A 10 16.639 7.487 3.434 1.00 0.00 H new ATOM 0 HD11 ILE A 10 13.682 4.419 4.242 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.742 5.877 3.843 1.00 0.00 H new ATOM 0 HD13 ILE A 10 14.199 5.472 2.904 1.00 0.00 H new ATOM 162 N LEU A 11 14.866 10.878 4.905 1.00 0.00 N ATOM 163 CA LEU A 11 15.256 12.200 4.422 1.00 0.00 C ATOM 164 C LEU A 11 16.127 12.911 5.446 1.00 0.00 C ATOM 165 O LEU A 11 17.160 13.466 5.085 1.00 0.00 O ATOM 166 CB LEU A 11 14.030 13.071 4.066 1.00 0.00 C ATOM 167 CG LEU A 11 13.849 13.343 2.562 1.00 0.00 C ATOM 168 CD1 LEU A 11 15.057 14.061 1.942 1.00 0.00 C ATOM 169 CD2 LEU A 11 13.536 12.060 1.788 1.00 0.00 C ATOM 0 H LEU A 11 13.858 10.730 4.963 1.00 0.00 H new ATOM 0 HA LEU A 11 15.832 12.051 3.508 1.00 0.00 H new ATOM 0 HB2 LEU A 11 13.132 12.582 4.443 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.116 14.025 4.586 1.00 0.00 H new ATOM 0 HG LEU A 11 12.993 14.013 2.479 1.00 0.00 H new ATOM 0 HD11 LEU A 11 14.876 14.228 0.880 1.00 0.00 H new ATOM 0 HD12 LEU A 11 15.205 15.019 2.440 1.00 0.00 H new ATOM 0 HD13 LEU A 11 15.949 13.446 2.066 1.00 0.00 H new ATOM 0 HD21 LEU A 11 13.415 12.294 0.730 1.00 0.00 H new ATOM 0 HD22 LEU A 11 14.355 11.351 1.912 1.00 0.00 H new ATOM 0 HD23 LEU A 11 12.615 11.620 2.170 1.00 0.00 H new ATOM 181 N SER A 12 15.742 12.858 6.718 1.00 0.00 N ATOM 182 CA SER A 12 16.511 13.456 7.794 1.00 0.00 C ATOM 183 C SER A 12 17.862 12.783 7.923 1.00 0.00 C ATOM 184 O SER A 12 18.859 13.494 7.915 1.00 0.00 O ATOM 185 CB SER A 12 15.720 13.400 9.108 1.00 0.00 C ATOM 186 OG SER A 12 14.419 13.937 8.947 1.00 0.00 O ATOM 0 H SER A 12 14.886 12.397 7.027 1.00 0.00 H new ATOM 0 HA SER A 12 16.691 14.505 7.559 1.00 0.00 H new ATOM 0 HB2 SER A 12 15.650 12.367 9.450 1.00 0.00 H new ATOM 0 HB3 SER A 12 16.253 13.956 9.880 1.00 0.00 H new ATOM 0 HG SER A 12 13.844 13.275 8.509 1.00 0.00 H new ATOM 192 N THR A 13 17.946 11.454 7.981 1.00 0.00 N ATOM 193 CA THR A 13 19.234 10.801 8.156 1.00 0.00 C ATOM 194 C THR A 13 20.164 11.139 6.994 1.00 0.00 C ATOM 195 O THR A 13 21.317 11.495 7.222 1.00 0.00 O ATOM 196 CB THR A 13 19.079 9.284 8.308 1.00 0.00 C ATOM 197 OG1 THR A 13 18.170 8.976 9.347 1.00 0.00 O ATOM 198 CG2 THR A 13 20.456 8.694 8.630 1.00 0.00 C ATOM 0 H THR A 13 17.149 10.821 7.910 1.00 0.00 H new ATOM 0 HA THR A 13 19.678 11.177 9.077 1.00 0.00 H new ATOM 0 HB THR A 13 18.688 8.860 7.383 1.00 0.00 H new ATOM 0 HG1 THR A 13 17.256 9.171 9.051 1.00 0.00 H new ATOM 0 HG21 THR A 13 20.371 7.613 8.743 1.00 0.00 H new ATOM 0 HG22 THR A 13 21.148 8.921 7.819 1.00 0.00 H new ATOM 0 HG23 THR A 13 20.830 9.128 9.558 1.00 0.00 H new ATOM 206 N LEU A 14 19.676 11.067 5.756 1.00 0.00 N ATOM 207 CA LEU A 14 20.490 11.373 4.592 1.00 0.00 C ATOM 208 C LEU A 14 20.927 12.830 4.636 1.00 0.00 C ATOM 209 O LEU A 14 22.101 13.091 4.419 1.00 0.00 O ATOM 210 CB LEU A 14 19.746 11.033 3.293 1.00 0.00 C ATOM 211 CG LEU A 14 20.024 9.590 2.836 1.00 0.00 C ATOM 212 CD1 LEU A 14 19.637 8.519 3.864 1.00 0.00 C ATOM 213 CD2 LEU A 14 19.288 9.309 1.530 1.00 0.00 C ATOM 0 H LEU A 14 18.717 10.798 5.538 1.00 0.00 H new ATOM 0 HA LEU A 14 21.386 10.752 4.611 1.00 0.00 H new ATOM 0 HB2 LEU A 14 18.675 11.167 3.442 1.00 0.00 H new ATOM 0 HB3 LEU A 14 20.048 11.727 2.509 1.00 0.00 H new ATOM 0 HG LEU A 14 21.104 9.525 2.705 1.00 0.00 H new ATOM 0 HD11 LEU A 14 19.865 7.531 3.464 1.00 0.00 H new ATOM 0 HD12 LEU A 14 20.200 8.677 4.784 1.00 0.00 H new ATOM 0 HD13 LEU A 14 18.570 8.587 4.076 1.00 0.00 H new ATOM 0 HD21 LEU A 14 19.489 8.286 1.212 1.00 0.00 H new ATOM 0 HD22 LEU A 14 18.216 9.438 1.681 1.00 0.00 H new ATOM 0 HD23 LEU A 14 19.632 10.002 0.762 1.00 0.00 H new ATOM 225 N ARG A 15 20.038 13.766 4.983 1.00 0.00 N ATOM 226 CA ARG A 15 20.413 15.173 5.131 1.00 0.00 C ATOM 227 C ARG A 15 21.459 15.350 6.237 1.00 0.00 C ATOM 228 O ARG A 15 22.385 16.133 6.054 1.00 0.00 O ATOM 229 CB ARG A 15 19.168 16.049 5.349 1.00 0.00 C ATOM 230 CG ARG A 15 18.362 16.198 4.044 1.00 0.00 C ATOM 231 CD ARG A 15 16.997 16.866 4.253 1.00 0.00 C ATOM 232 NE ARG A 15 17.131 18.300 4.558 1.00 0.00 N ATOM 233 CZ ARG A 15 16.264 19.256 4.201 1.00 0.00 C ATOM 234 NH1 ARG A 15 15.070 18.991 3.686 1.00 0.00 N ATOM 235 NH2 ARG A 15 16.583 20.535 4.352 1.00 0.00 N ATOM 0 H ARG A 15 19.053 13.573 5.166 1.00 0.00 H new ATOM 0 HA ARG A 15 20.879 15.509 4.204 1.00 0.00 H new ATOM 0 HB2 ARG A 15 18.538 15.607 6.121 1.00 0.00 H new ATOM 0 HB3 ARG A 15 19.470 17.033 5.709 1.00 0.00 H new ATOM 0 HG2 ARG A 15 18.941 16.784 3.331 1.00 0.00 H new ATOM 0 HG3 ARG A 15 18.214 15.213 3.601 1.00 0.00 H new ATOM 0 HD2 ARG A 15 16.390 16.740 3.357 1.00 0.00 H new ATOM 0 HD3 ARG A 15 16.470 16.369 5.067 1.00 0.00 H new ATOM 0 HE ARG A 15 17.954 18.590 5.086 1.00 0.00 H new ATOM 0 HH11 ARG A 15 14.778 18.024 3.547 1.00 0.00 H new ATOM 0 HH12 ARG A 15 14.444 19.755 3.429 1.00 0.00 H new ATOM 0 HH21 ARG A 15 17.490 20.792 4.741 1.00 0.00 H new ATOM 0 HH22 ARG A 15 15.921 21.261 4.079 1.00 0.00 H new ATOM 249 N MET A 16 21.366 14.626 7.357 1.00 0.00 N ATOM 250 CA MET A 16 22.422 14.664 8.383 1.00 0.00 C ATOM 251 C MET A 16 23.762 14.114 7.882 1.00 0.00 C ATOM 252 O MET A 16 24.814 14.691 8.160 1.00 0.00 O ATOM 253 CB MET A 16 22.023 13.898 9.650 1.00 0.00 C ATOM 254 CG MET A 16 20.828 14.568 10.317 1.00 0.00 C ATOM 255 SD MET A 16 20.485 14.051 12.022 1.00 0.00 S ATOM 256 CE MET A 16 19.976 12.334 11.730 1.00 0.00 C ATOM 0 H MET A 16 20.582 14.012 7.578 1.00 0.00 H new ATOM 0 HA MET A 16 22.545 15.721 8.619 1.00 0.00 H new ATOM 0 HB2 MET A 16 21.777 12.867 9.398 1.00 0.00 H new ATOM 0 HB3 MET A 16 22.864 13.864 10.343 1.00 0.00 H new ATOM 0 HG2 MET A 16 20.989 15.646 10.309 1.00 0.00 H new ATOM 0 HG3 MET A 16 19.942 14.373 9.713 1.00 0.00 H new ATOM 0 HE1 MET A 16 19.727 11.862 12.680 1.00 0.00 H new ATOM 0 HE2 MET A 16 19.103 12.319 11.078 1.00 0.00 H new ATOM 0 HE3 MET A 16 20.792 11.788 11.256 1.00 0.00 H new ATOM 266 N GLU A 17 23.728 12.985 7.180 1.00 0.00 N ATOM 267 CA GLU A 17 24.916 12.268 6.712 1.00 0.00 C ATOM 268 C GLU A 17 25.606 13.029 5.565 1.00 0.00 C ATOM 269 O GLU A 17 26.822 12.941 5.386 1.00 0.00 O ATOM 270 CB GLU A 17 24.474 10.873 6.237 1.00 0.00 C ATOM 271 CG GLU A 17 24.102 9.903 7.360 1.00 0.00 C ATOM 272 CD GLU A 17 25.323 9.148 7.909 1.00 0.00 C ATOM 273 OE1 GLU A 17 26.019 9.667 8.812 1.00 0.00 O ATOM 274 OE2 GLU A 17 25.580 8.015 7.438 1.00 0.00 O ATOM 0 H GLU A 17 22.855 12.531 6.913 1.00 0.00 H new ATOM 0 HA GLU A 17 25.637 12.183 7.525 1.00 0.00 H new ATOM 0 HB2 GLU A 17 23.617 10.985 5.573 1.00 0.00 H new ATOM 0 HB3 GLU A 17 25.278 10.433 5.647 1.00 0.00 H new ATOM 0 HG2 GLU A 17 23.625 10.455 8.170 1.00 0.00 H new ATOM 0 HG3 GLU A 17 23.371 9.185 6.989 1.00 0.00 H new ATOM 281 N ALA A 18 24.812 13.765 4.791 1.00 0.00 N ATOM 282 CA ALA A 18 25.190 14.503 3.609 1.00 0.00 C ATOM 283 C ALA A 18 26.103 15.692 3.899 1.00 0.00 C ATOM 284 O ALA A 18 26.075 16.298 4.974 1.00 0.00 O ATOM 285 CB ALA A 18 23.884 15.024 3.005 1.00 0.00 C ATOM 0 H ALA A 18 23.818 13.862 4.997 1.00 0.00 H new ATOM 0 HA ALA A 18 25.750 13.845 2.945 1.00 0.00 H new ATOM 0 HB1 ALA A 18 24.103 15.594 2.102 1.00 0.00 H new ATOM 0 HB2 ALA A 18 23.238 14.183 2.755 1.00 0.00 H new ATOM 0 HB3 ALA A 18 23.380 15.667 3.727 1.00 0.00 H new ATOM 291 N ASP A 19 26.881 16.044 2.879 1.00 0.00 N ATOM 292 CA ASP A 19 27.655 17.281 2.833 1.00 0.00 C ATOM 293 C ASP A 19 26.668 18.460 2.719 1.00 0.00 C ATOM 294 O ASP A 19 25.686 18.332 1.978 1.00 0.00 O ATOM 295 CB ASP A 19 28.582 17.263 1.613 1.00 0.00 C ATOM 296 CG ASP A 19 29.392 18.562 1.509 1.00 0.00 C ATOM 297 OD1 ASP A 19 28.872 19.548 0.943 1.00 0.00 O ATOM 298 OD2 ASP A 19 30.545 18.592 1.993 1.00 0.00 O ATOM 0 H ASP A 19 26.993 15.467 2.046 1.00 0.00 H new ATOM 0 HA ASP A 19 28.262 17.382 3.733 1.00 0.00 H new ATOM 0 HB2 ASP A 19 29.261 16.413 1.682 1.00 0.00 H new ATOM 0 HB3 ASP A 19 27.992 17.127 0.707 1.00 0.00 H new ATOM 303 N PRO A 20 26.885 19.604 3.400 1.00 0.00 N ATOM 304 CA PRO A 20 25.987 20.758 3.351 1.00 0.00 C ATOM 305 C PRO A 20 25.574 21.222 1.947 1.00 0.00 C ATOM 306 O PRO A 20 24.455 21.708 1.775 1.00 0.00 O ATOM 307 CB PRO A 20 26.707 21.873 4.110 1.00 0.00 C ATOM 308 CG PRO A 20 27.542 21.106 5.131 1.00 0.00 C ATOM 309 CD PRO A 20 27.944 19.845 4.370 1.00 0.00 C ATOM 0 HA PRO A 20 25.035 20.475 3.800 1.00 0.00 H new ATOM 0 HB2 PRO A 20 27.330 22.475 3.449 1.00 0.00 H new ATOM 0 HB3 PRO A 20 26.004 22.553 4.592 1.00 0.00 H new ATOM 0 HG2 PRO A 20 28.412 21.678 5.452 1.00 0.00 H new ATOM 0 HG3 PRO A 20 26.967 20.871 6.027 1.00 0.00 H new ATOM 0 HD2 PRO A 20 28.905 19.979 3.873 1.00 0.00 H new ATOM 0 HD3 PRO A 20 28.052 18.998 5.048 1.00 0.00 H new ATOM 317 N SER A 21 26.433 21.054 0.937 1.00 0.00 N ATOM 318 CA SER A 21 26.148 21.452 -0.442 1.00 0.00 C ATOM 319 C SER A 21 24.916 20.730 -1.011 1.00 0.00 C ATOM 320 O SER A 21 24.284 21.222 -1.947 1.00 0.00 O ATOM 321 CB SER A 21 27.369 21.159 -1.329 1.00 0.00 C ATOM 322 OG SER A 21 28.584 21.512 -0.695 1.00 0.00 O ATOM 0 H SER A 21 27.355 20.634 1.057 1.00 0.00 H new ATOM 0 HA SER A 21 25.933 22.521 -0.437 1.00 0.00 H new ATOM 0 HB2 SER A 21 27.387 20.099 -1.582 1.00 0.00 H new ATOM 0 HB3 SER A 21 27.276 21.708 -2.266 1.00 0.00 H new ATOM 0 HG SER A 21 28.979 20.717 -0.280 1.00 0.00 H new ATOM 328 N LEU A 22 24.569 19.565 -0.455 1.00 0.00 N ATOM 329 CA LEU A 22 23.492 18.712 -0.938 1.00 0.00 C ATOM 330 C LEU A 22 22.138 19.121 -0.363 1.00 0.00 C ATOM 331 O LEU A 22 21.116 18.667 -0.870 1.00 0.00 O ATOM 332 CB LEU A 22 23.767 17.259 -0.530 1.00 0.00 C ATOM 333 CG LEU A 22 25.117 16.709 -1.021 1.00 0.00 C ATOM 334 CD1 LEU A 22 25.319 15.293 -0.506 1.00 0.00 C ATOM 335 CD2 LEU A 22 25.214 16.671 -2.544 1.00 0.00 C ATOM 0 H LEU A 22 25.044 19.185 0.363 1.00 0.00 H new ATOM 0 HA LEU A 22 23.456 18.816 -2.022 1.00 0.00 H new ATOM 0 HB2 LEU A 22 23.732 17.186 0.557 1.00 0.00 H new ATOM 0 HB3 LEU A 22 22.968 16.627 -0.918 1.00 0.00 H new ATOM 0 HG LEU A 22 25.884 17.383 -0.639 1.00 0.00 H new ATOM 0 HD11 LEU A 22 26.277 14.911 -0.858 1.00 0.00 H new ATOM 0 HD12 LEU A 22 25.309 15.297 0.584 1.00 0.00 H new ATOM 0 HD13 LEU A 22 24.516 14.654 -0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 22 26.186 16.275 -2.837 1.00 0.00 H new ATOM 0 HD22 LEU A 22 24.427 16.032 -2.943 1.00 0.00 H new ATOM 0 HD23 LEU A 22 25.099 17.679 -2.941 1.00 0.00 H new ATOM 347 N HIS A 23 22.095 19.938 0.693 1.00 0.00 N ATOM 348 CA HIS A 23 20.846 20.265 1.375 1.00 0.00 C ATOM 349 C HIS A 23 19.773 20.856 0.439 1.00 0.00 C ATOM 350 O HIS A 23 18.652 20.352 0.484 1.00 0.00 O ATOM 351 CB HIS A 23 21.111 21.163 2.589 1.00 0.00 C ATOM 352 CG HIS A 23 21.926 20.538 3.703 1.00 0.00 C ATOM 353 ND1 HIS A 23 22.349 21.207 4.834 1.00 0.00 N ATOM 354 CD2 HIS A 23 22.356 19.236 3.827 1.00 0.00 C ATOM 355 CE1 HIS A 23 23.010 20.339 5.615 1.00 0.00 C ATOM 356 NE2 HIS A 23 23.046 19.124 5.041 1.00 0.00 N ATOM 0 H HIS A 23 22.919 20.386 1.094 1.00 0.00 H new ATOM 0 HA HIS A 23 20.427 19.324 1.731 1.00 0.00 H new ATOM 0 HB2 HIS A 23 21.625 22.062 2.248 1.00 0.00 H new ATOM 0 HB3 HIS A 23 20.152 21.480 2.999 1.00 0.00 H new ATOM 0 HD2 HIS A 23 22.191 18.442 3.114 1.00 0.00 H new ATOM 0 HE1 HIS A 23 23.451 20.582 6.570 1.00 0.00 H new ATOM 0 HE2 HIS A 23 23.489 18.285 5.416 1.00 0.00 H new ATOM 364 N PRO A 24 20.044 21.837 -0.450 1.00 0.00 N ATOM 365 CA PRO A 24 19.015 22.333 -1.365 1.00 0.00 C ATOM 366 C PRO A 24 18.610 21.288 -2.414 1.00 0.00 C ATOM 367 O PRO A 24 17.473 21.297 -2.890 1.00 0.00 O ATOM 368 CB PRO A 24 19.596 23.598 -2.008 1.00 0.00 C ATOM 369 CG PRO A 24 21.105 23.406 -1.892 1.00 0.00 C ATOM 370 CD PRO A 24 21.257 22.637 -0.581 1.00 0.00 C ATOM 0 HA PRO A 24 18.093 22.552 -0.827 1.00 0.00 H new ATOM 0 HB2 PRO A 24 19.284 23.697 -3.048 1.00 0.00 H new ATOM 0 HB3 PRO A 24 19.266 24.498 -1.489 1.00 0.00 H new ATOM 0 HG2 PRO A 24 21.506 22.846 -2.737 1.00 0.00 H new ATOM 0 HG3 PRO A 24 21.632 24.360 -1.863 1.00 0.00 H new ATOM 0 HD2 PRO A 24 22.144 22.003 -0.599 1.00 0.00 H new ATOM 0 HD3 PRO A 24 21.369 23.319 0.262 1.00 0.00 H new ATOM 378 N LEU A 25 19.510 20.369 -2.778 1.00 0.00 N ATOM 379 CA LEU A 25 19.162 19.256 -3.663 1.00 0.00 C ATOM 380 C LEU A 25 18.182 18.331 -2.944 1.00 0.00 C ATOM 381 O LEU A 25 17.196 17.896 -3.542 1.00 0.00 O ATOM 382 CB LEU A 25 20.407 18.483 -4.140 1.00 0.00 C ATOM 383 CG LEU A 25 21.502 19.356 -4.786 1.00 0.00 C ATOM 384 CD1 LEU A 25 22.621 18.461 -5.317 1.00 0.00 C ATOM 385 CD2 LEU A 25 20.971 20.220 -5.938 1.00 0.00 C ATOM 0 H LEU A 25 20.483 20.375 -2.473 1.00 0.00 H new ATOM 0 HA LEU A 25 18.690 19.661 -4.558 1.00 0.00 H new ATOM 0 HB2 LEU A 25 20.838 17.955 -3.289 1.00 0.00 H new ATOM 0 HB3 LEU A 25 20.094 17.726 -4.859 1.00 0.00 H new ATOM 0 HG LEU A 25 21.871 20.028 -4.011 1.00 0.00 H new ATOM 0 HD11 LEU A 25 23.395 19.078 -5.774 1.00 0.00 H new ATOM 0 HD12 LEU A 25 23.051 17.889 -4.495 1.00 0.00 H new ATOM 0 HD13 LEU A 25 22.216 17.776 -6.062 1.00 0.00 H new ATOM 0 HD21 LEU A 25 21.786 20.813 -6.354 1.00 0.00 H new ATOM 0 HD22 LEU A 25 20.557 19.577 -6.715 1.00 0.00 H new ATOM 0 HD23 LEU A 25 20.192 20.885 -5.565 1.00 0.00 H new ATOM 397 N PHE A 26 18.403 18.073 -1.653 1.00 0.00 N ATOM 398 CA PHE A 26 17.492 17.254 -0.874 1.00 0.00 C ATOM 399 C PHE A 26 16.194 17.976 -0.520 1.00 0.00 C ATOM 400 O PHE A 26 15.189 17.289 -0.381 1.00 0.00 O ATOM 401 CB PHE A 26 18.164 16.645 0.364 1.00 0.00 C ATOM 402 CG PHE A 26 18.911 15.349 0.090 1.00 0.00 C ATOM 403 CD1 PHE A 26 18.256 14.267 -0.538 1.00 0.00 C ATOM 404 CD2 PHE A 26 20.253 15.204 0.489 1.00 0.00 C ATOM 405 CE1 PHE A 26 18.927 13.059 -0.775 1.00 0.00 C ATOM 406 CE2 PHE A 26 20.919 13.983 0.280 1.00 0.00 C ATOM 407 CZ PHE A 26 20.252 12.909 -0.337 1.00 0.00 C ATOM 0 H PHE A 26 19.207 18.423 -1.131 1.00 0.00 H new ATOM 0 HA PHE A 26 17.213 16.425 -1.524 1.00 0.00 H new ATOM 0 HB2 PHE A 26 18.861 17.372 0.781 1.00 0.00 H new ATOM 0 HB3 PHE A 26 17.404 16.460 1.123 1.00 0.00 H new ATOM 0 HD1 PHE A 26 17.224 14.371 -0.840 1.00 0.00 H new ATOM 0 HD2 PHE A 26 20.771 16.029 0.955 1.00 0.00 H new ATOM 0 HE1 PHE A 26 18.429 12.251 -1.290 1.00 0.00 H new ATOM 0 HE2 PHE A 26 21.946 13.870 0.594 1.00 0.00 H new ATOM 0 HZ PHE A 26 20.761 11.966 -0.474 1.00 0.00 H new ATOM 417 N GLU A 27 16.152 19.310 -0.437 1.00 0.00 N ATOM 418 CA GLU A 27 14.890 20.049 -0.317 1.00 0.00 C ATOM 419 C GLU A 27 13.985 19.709 -1.508 1.00 0.00 C ATOM 420 O GLU A 27 12.801 19.419 -1.329 1.00 0.00 O ATOM 421 CB GLU A 27 15.141 21.569 -0.284 1.00 0.00 C ATOM 422 CG GLU A 27 15.632 22.115 1.064 1.00 0.00 C ATOM 423 CD GLU A 27 14.479 22.349 2.053 1.00 0.00 C ATOM 424 OE1 GLU A 27 13.723 23.336 1.902 1.00 0.00 O ATOM 425 OE2 GLU A 27 14.350 21.559 3.016 1.00 0.00 O ATOM 0 H GLU A 27 16.982 19.903 -0.451 1.00 0.00 H new ATOM 0 HA GLU A 27 14.407 19.758 0.616 1.00 0.00 H new ATOM 0 HB2 GLU A 27 15.876 21.818 -1.049 1.00 0.00 H new ATOM 0 HB3 GLU A 27 14.217 22.081 -0.552 1.00 0.00 H new ATOM 0 HG2 GLU A 27 16.345 21.415 1.499 1.00 0.00 H new ATOM 0 HG3 GLU A 27 16.165 23.052 0.902 1.00 0.00 H new ATOM 432 N GLN A 28 14.549 19.706 -2.721 1.00 0.00 N ATOM 433 CA GLN A 28 13.811 19.370 -3.933 1.00 0.00 C ATOM 434 C GLN A 28 13.405 17.894 -3.904 1.00 0.00 C ATOM 435 O GLN A 28 12.237 17.583 -4.125 1.00 0.00 O ATOM 436 CB GLN A 28 14.665 19.685 -5.169 1.00 0.00 C ATOM 437 CG GLN A 28 14.919 21.187 -5.355 1.00 0.00 C ATOM 438 CD GLN A 28 16.110 21.422 -6.278 1.00 0.00 C ATOM 439 OE1 GLN A 28 16.000 21.381 -7.501 1.00 0.00 O ATOM 440 NE2 GLN A 28 17.284 21.643 -5.709 1.00 0.00 N ATOM 0 H GLN A 28 15.529 19.937 -2.885 1.00 0.00 H new ATOM 0 HA GLN A 28 12.903 19.971 -3.984 1.00 0.00 H new ATOM 0 HB2 GLN A 28 15.621 19.168 -5.085 1.00 0.00 H new ATOM 0 HB3 GLN A 28 14.168 19.293 -6.057 1.00 0.00 H new ATOM 0 HG2 GLN A 28 14.031 21.662 -5.771 1.00 0.00 H new ATOM 0 HG3 GLN A 28 15.105 21.652 -4.387 1.00 0.00 H new ATOM 0 HE21 GLN A 28 17.360 21.674 -4.692 1.00 0.00 H new ATOM 0 HE22 GLN A 28 18.113 21.782 -6.287 1.00 0.00 H new ATOM 449 N PHE A 29 14.340 16.994 -3.587 1.00 0.00 N ATOM 450 CA PHE A 29 14.078 15.556 -3.542 1.00 0.00 C ATOM 451 C PHE A 29 12.930 15.242 -2.566 1.00 0.00 C ATOM 452 O PHE A 29 11.982 14.540 -2.917 1.00 0.00 O ATOM 453 CB PHE A 29 15.376 14.850 -3.128 1.00 0.00 C ATOM 454 CG PHE A 29 15.305 13.339 -3.071 1.00 0.00 C ATOM 455 CD1 PHE A 29 14.908 12.699 -1.882 1.00 0.00 C ATOM 456 CD2 PHE A 29 15.623 12.568 -4.204 1.00 0.00 C ATOM 457 CE1 PHE A 29 14.796 11.301 -1.833 1.00 0.00 C ATOM 458 CE2 PHE A 29 15.475 11.171 -4.164 1.00 0.00 C ATOM 459 CZ PHE A 29 15.055 10.540 -2.983 1.00 0.00 C ATOM 0 H PHE A 29 15.301 17.244 -3.354 1.00 0.00 H new ATOM 0 HA PHE A 29 13.764 15.198 -4.522 1.00 0.00 H new ATOM 0 HB2 PHE A 29 16.163 15.133 -3.827 1.00 0.00 H new ATOM 0 HB3 PHE A 29 15.673 15.220 -2.147 1.00 0.00 H new ATOM 0 HD1 PHE A 29 14.688 13.287 -1.003 1.00 0.00 H new ATOM 0 HD2 PHE A 29 15.980 13.049 -5.103 1.00 0.00 H new ATOM 0 HE1 PHE A 29 14.511 10.812 -0.913 1.00 0.00 H new ATOM 0 HE2 PHE A 29 15.685 10.582 -5.044 1.00 0.00 H new ATOM 0 HZ PHE A 29 14.931 9.467 -2.959 1.00 0.00 H new ATOM 469 N GLU A 30 12.988 15.823 -1.365 1.00 0.00 N ATOM 470 CA GLU A 30 11.972 15.710 -0.328 1.00 0.00 C ATOM 471 C GLU A 30 10.612 16.133 -0.869 1.00 0.00 C ATOM 472 O GLU A 30 9.659 15.351 -0.859 1.00 0.00 O ATOM 473 CB GLU A 30 12.429 16.592 0.848 1.00 0.00 C ATOM 474 CG GLU A 30 11.364 16.866 1.911 1.00 0.00 C ATOM 475 CD GLU A 30 11.972 17.519 3.171 1.00 0.00 C ATOM 476 OE1 GLU A 30 13.047 17.082 3.648 1.00 0.00 O ATOM 477 OE2 GLU A 30 11.367 18.479 3.700 1.00 0.00 O ATOM 0 H GLU A 30 13.776 16.406 -1.082 1.00 0.00 H new ATOM 0 HA GLU A 30 11.859 14.680 0.009 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.284 16.115 1.328 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.777 17.546 0.452 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.596 17.519 1.497 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.874 15.932 2.185 1.00 0.00 H new ATOM 484 N LYS A 31 10.545 17.362 -1.379 1.00 0.00 N ATOM 485 CA LYS A 31 9.322 17.947 -1.892 1.00 0.00 C ATOM 486 C LYS A 31 8.733 17.071 -2.986 1.00 0.00 C ATOM 487 O LYS A 31 7.565 16.693 -2.913 1.00 0.00 O ATOM 488 CB LYS A 31 9.688 19.334 -2.419 1.00 0.00 C ATOM 489 CG LYS A 31 8.607 19.998 -3.272 1.00 0.00 C ATOM 490 CD LYS A 31 9.280 21.198 -3.929 1.00 0.00 C ATOM 491 CE LYS A 31 8.402 21.863 -4.994 1.00 0.00 C ATOM 492 NZ LYS A 31 7.063 22.262 -4.497 1.00 0.00 N ATOM 0 H LYS A 31 11.353 17.982 -1.445 1.00 0.00 H new ATOM 0 HA LYS A 31 8.561 18.026 -1.115 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.913 19.982 -1.572 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.600 19.254 -3.010 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.220 19.307 -4.021 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.761 20.310 -2.659 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.532 21.931 -3.163 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.217 20.878 -4.385 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.916 22.745 -5.377 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.279 21.177 -5.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.549 22.765 -5.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.529 21.414 -4.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.171 22.888 -3.673 1.00 0.00 H new ATOM 506 N PHE A 32 9.520 16.778 -4.018 1.00 0.00 N ATOM 507 CA PHE A 32 8.997 16.120 -5.194 1.00 0.00 C ATOM 508 C PHE A 32 8.531 14.697 -4.892 1.00 0.00 C ATOM 509 O PHE A 32 7.499 14.321 -5.438 1.00 0.00 O ATOM 510 CB PHE A 32 9.987 16.213 -6.361 1.00 0.00 C ATOM 511 CG PHE A 32 10.116 17.622 -6.926 1.00 0.00 C ATOM 512 CD1 PHE A 32 8.975 18.289 -7.417 1.00 0.00 C ATOM 513 CD2 PHE A 32 11.364 18.271 -6.980 1.00 0.00 C ATOM 514 CE1 PHE A 32 9.076 19.583 -7.954 1.00 0.00 C ATOM 515 CE2 PHE A 32 11.458 19.584 -7.475 1.00 0.00 C ATOM 516 CZ PHE A 32 10.317 20.239 -7.971 1.00 0.00 C ATOM 0 H PHE A 32 10.517 16.988 -4.056 1.00 0.00 H new ATOM 0 HA PHE A 32 8.100 16.651 -5.513 1.00 0.00 H new ATOM 0 HB2 PHE A 32 10.967 15.871 -6.026 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.668 15.538 -7.155 1.00 0.00 H new ATOM 0 HD1 PHE A 32 8.013 17.800 -7.380 1.00 0.00 H new ATOM 0 HD2 PHE A 32 12.252 17.759 -6.640 1.00 0.00 H new ATOM 0 HE1 PHE A 32 8.200 20.073 -8.353 1.00 0.00 H new ATOM 0 HE2 PHE A 32 12.411 20.092 -7.474 1.00 0.00 H new ATOM 0 HZ PHE A 32 10.395 21.242 -8.363 1.00 0.00 H new ATOM 526 N TYR A 33 9.171 13.925 -4.002 1.00 0.00 N ATOM 527 CA TYR A 33 8.586 12.646 -3.592 1.00 0.00 C ATOM 528 C TYR A 33 7.255 12.878 -2.871 1.00 0.00 C ATOM 529 O TYR A 33 6.276 12.192 -3.165 1.00 0.00 O ATOM 530 CB TYR A 33 9.548 11.811 -2.730 1.00 0.00 C ATOM 531 CG TYR A 33 8.885 10.604 -2.087 1.00 0.00 C ATOM 532 CD1 TYR A 33 8.172 10.752 -0.882 1.00 0.00 C ATOM 533 CD2 TYR A 33 8.907 9.353 -2.733 1.00 0.00 C ATOM 534 CE1 TYR A 33 7.424 9.681 -0.367 1.00 0.00 C ATOM 535 CE2 TYR A 33 8.191 8.265 -2.199 1.00 0.00 C ATOM 536 CZ TYR A 33 7.422 8.433 -1.028 1.00 0.00 C ATOM 537 OH TYR A 33 6.670 7.408 -0.534 1.00 0.00 O ATOM 0 H TYR A 33 10.064 14.155 -3.566 1.00 0.00 H new ATOM 0 HA TYR A 33 8.399 12.067 -4.496 1.00 0.00 H new ATOM 0 HB2 TYR A 33 10.379 11.473 -3.349 1.00 0.00 H new ATOM 0 HB3 TYR A 33 9.968 12.445 -1.949 1.00 0.00 H new ATOM 0 HD1 TYR A 33 8.200 11.693 -0.352 1.00 0.00 H new ATOM 0 HD2 TYR A 33 9.476 9.228 -3.642 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.848 9.812 0.537 1.00 0.00 H new ATOM 0 HE2 TYR A 33 8.230 7.302 -2.686 1.00 0.00 H new ATOM 0 HH TYR A 33 6.778 6.619 -1.105 1.00 0.00 H new ATOM 547 N GLU A 34 7.190 13.849 -1.955 1.00 0.00 N ATOM 548 CA GLU A 34 5.980 14.115 -1.179 1.00 0.00 C ATOM 549 C GLU A 34 4.818 14.583 -2.068 1.00 0.00 C ATOM 550 O GLU A 34 3.659 14.369 -1.710 1.00 0.00 O ATOM 551 CB GLU A 34 6.286 15.103 -0.043 1.00 0.00 C ATOM 552 CG GLU A 34 7.113 14.415 1.058 1.00 0.00 C ATOM 553 CD GLU A 34 7.513 15.330 2.232 1.00 0.00 C ATOM 554 OE1 GLU A 34 7.360 16.573 2.167 1.00 0.00 O ATOM 555 OE2 GLU A 34 7.975 14.781 3.257 1.00 0.00 O ATOM 0 H GLU A 34 7.970 14.468 -1.733 1.00 0.00 H new ATOM 0 HA GLU A 34 5.650 13.180 -0.727 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.833 15.960 -0.435 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.355 15.484 0.377 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.542 13.573 1.450 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.018 14.005 0.610 1.00 0.00 H new ATOM 562 N GLU A 35 5.109 15.132 -3.250 1.00 0.00 N ATOM 563 CA GLU A 35 4.134 15.540 -4.263 1.00 0.00 C ATOM 564 C GLU A 35 4.068 14.527 -5.428 1.00 0.00 C ATOM 565 O GLU A 35 3.568 14.855 -6.506 1.00 0.00 O ATOM 566 CB GLU A 35 4.456 16.971 -4.740 1.00 0.00 C ATOM 567 CG GLU A 35 4.256 18.013 -3.628 1.00 0.00 C ATOM 568 CD GLU A 35 4.306 19.450 -4.178 1.00 0.00 C ATOM 569 OE1 GLU A 35 3.256 19.970 -4.621 1.00 0.00 O ATOM 570 OE2 GLU A 35 5.386 20.083 -4.151 1.00 0.00 O ATOM 0 H GLU A 35 6.071 15.312 -3.539 1.00 0.00 H new ATOM 0 HA GLU A 35 3.139 15.548 -3.819 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.487 17.011 -5.092 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.819 17.221 -5.589 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.297 17.844 -3.139 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.027 17.887 -2.868 1.00 0.00 H new ATOM 577 N LYS A 36 4.568 13.299 -5.220 1.00 0.00 N ATOM 578 CA LYS A 36 4.663 12.186 -6.177 1.00 0.00 C ATOM 579 C LYS A 36 5.213 12.567 -7.561 1.00 0.00 C ATOM 580 O LYS A 36 4.925 11.906 -8.556 1.00 0.00 O ATOM 581 CB LYS A 36 3.365 11.347 -6.200 1.00 0.00 C ATOM 582 CG LYS A 36 2.193 11.931 -7.011 1.00 0.00 C ATOM 583 CD LYS A 36 0.971 11.002 -6.972 1.00 0.00 C ATOM 584 CE LYS A 36 -0.157 11.474 -7.904 1.00 0.00 C ATOM 585 NZ LYS A 36 -0.766 12.762 -7.483 1.00 0.00 N ATOM 0 H LYS A 36 4.945 13.039 -4.309 1.00 0.00 H new ATOM 0 HA LYS A 36 5.444 11.526 -5.799 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.601 10.361 -6.600 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.032 11.202 -5.172 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.923 12.908 -6.611 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.504 12.084 -8.045 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.275 9.995 -7.256 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.594 10.945 -5.951 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.236 11.579 -8.915 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.932 10.709 -7.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.518 13.025 -8.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.169 12.660 -6.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.037 13.504 -7.473 1.00 0.00 H new ATOM 599 N LEU A 37 6.022 13.624 -7.656 1.00 0.00 N ATOM 600 CA LEU A 37 6.662 14.065 -8.885 1.00 0.00 C ATOM 601 C LEU A 37 7.935 13.273 -9.127 1.00 0.00 C ATOM 602 O LEU A 37 9.052 13.780 -9.029 1.00 0.00 O ATOM 603 CB LEU A 37 6.859 15.588 -8.876 1.00 0.00 C ATOM 604 CG LEU A 37 5.654 16.274 -9.534 1.00 0.00 C ATOM 605 CD1 LEU A 37 5.666 17.768 -9.215 1.00 0.00 C ATOM 606 CD2 LEU A 37 5.703 16.049 -11.051 1.00 0.00 C ATOM 0 H LEU A 37 6.253 14.210 -6.854 1.00 0.00 H new ATOM 0 HA LEU A 37 6.014 13.859 -9.737 1.00 0.00 H new ATOM 0 HB2 LEU A 37 6.976 15.942 -7.852 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.773 15.848 -9.410 1.00 0.00 H new ATOM 0 HG LEU A 37 4.732 15.845 -9.142 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.808 18.247 -9.686 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.614 17.910 -8.136 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.585 18.214 -9.596 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.847 16.536 -11.519 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.625 16.471 -11.452 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.672 14.980 -11.261 1.00 0.00 H new ATOM 618 N TRP A 38 7.725 12.000 -9.433 1.00 0.00 N ATOM 619 CA TRP A 38 8.759 10.977 -9.572 1.00 0.00 C ATOM 620 C TRP A 38 9.898 11.398 -10.503 1.00 0.00 C ATOM 621 O TRP A 38 11.062 11.107 -10.227 1.00 0.00 O ATOM 622 CB TRP A 38 8.113 9.679 -10.076 1.00 0.00 C ATOM 623 CG TRP A 38 6.893 9.223 -9.331 1.00 0.00 C ATOM 624 CD1 TRP A 38 5.630 9.210 -9.814 1.00 0.00 C ATOM 625 CD2 TRP A 38 6.793 8.703 -7.972 1.00 0.00 C ATOM 626 NE1 TRP A 38 4.763 8.723 -8.858 1.00 0.00 N ATOM 627 CE2 TRP A 38 5.424 8.401 -7.694 1.00 0.00 C ATOM 628 CE3 TRP A 38 7.725 8.453 -6.946 1.00 0.00 C ATOM 629 CZ2 TRP A 38 5.005 7.885 -6.457 1.00 0.00 C ATOM 630 CZ3 TRP A 38 7.315 7.934 -5.706 1.00 0.00 C ATOM 631 CH2 TRP A 38 5.960 7.652 -5.455 1.00 0.00 C ATOM 0 H TRP A 38 6.788 11.633 -9.599 1.00 0.00 H new ATOM 0 HA TRP A 38 9.207 10.826 -8.590 1.00 0.00 H new ATOM 0 HB2 TRP A 38 7.846 9.812 -11.125 1.00 0.00 H new ATOM 0 HB3 TRP A 38 8.858 8.885 -10.035 1.00 0.00 H new ATOM 0 HD1 TRP A 38 5.342 9.534 -10.803 1.00 0.00 H new ATOM 0 HE1 TRP A 38 3.758 8.615 -8.996 1.00 0.00 H new ATOM 0 HE3 TRP A 38 8.771 8.663 -7.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 3.962 7.670 -6.279 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 8.050 7.749 -4.936 1.00 0.00 H new ATOM 0 HH2 TRP A 38 5.656 7.258 -4.496 1.00 0.00 H new ATOM 642 N PHE A 39 9.588 12.100 -11.594 1.00 0.00 N ATOM 643 CA PHE A 39 10.618 12.538 -12.525 1.00 0.00 C ATOM 644 C PHE A 39 11.472 13.642 -11.903 1.00 0.00 C ATOM 645 O PHE A 39 12.693 13.538 -11.931 1.00 0.00 O ATOM 646 CB PHE A 39 9.980 12.973 -13.852 1.00 0.00 C ATOM 647 CG PHE A 39 9.014 11.957 -14.445 1.00 0.00 C ATOM 648 CD1 PHE A 39 9.370 10.594 -14.545 1.00 0.00 C ATOM 649 CD2 PHE A 39 7.736 12.374 -14.868 1.00 0.00 C ATOM 650 CE1 PHE A 39 8.455 9.664 -15.066 1.00 0.00 C ATOM 651 CE2 PHE A 39 6.824 11.442 -15.392 1.00 0.00 C ATOM 652 CZ PHE A 39 7.182 10.085 -15.492 1.00 0.00 C ATOM 0 H PHE A 39 8.639 12.373 -11.850 1.00 0.00 H new ATOM 0 HA PHE A 39 11.286 11.704 -12.741 1.00 0.00 H new ATOM 0 HB2 PHE A 39 9.450 13.913 -13.696 1.00 0.00 H new ATOM 0 HB3 PHE A 39 10.772 13.169 -14.575 1.00 0.00 H new ATOM 0 HD1 PHE A 39 10.347 10.266 -14.221 1.00 0.00 H new ATOM 0 HD2 PHE A 39 7.456 13.414 -14.789 1.00 0.00 H new ATOM 0 HE1 PHE A 39 8.730 8.622 -15.140 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.847 11.768 -15.718 1.00 0.00 H new ATOM 0 HZ PHE A 39 6.481 9.368 -15.895 1.00 0.00 H new ATOM 662 N GLN A 40 10.859 14.675 -11.304 1.00 0.00 N ATOM 663 CA GLN A 40 11.587 15.803 -10.696 1.00 0.00 C ATOM 664 C GLN A 40 12.412 15.335 -9.498 1.00 0.00 C ATOM 665 O GLN A 40 13.535 15.786 -9.272 1.00 0.00 O ATOM 666 CB GLN A 40 10.602 16.911 -10.280 1.00 0.00 C ATOM 667 CG GLN A 40 9.675 17.426 -11.398 1.00 0.00 C ATOM 668 CD GLN A 40 10.466 17.910 -12.612 1.00 0.00 C ATOM 669 OE1 GLN A 40 10.689 19.101 -12.811 1.00 0.00 O ATOM 670 NE2 GLN A 40 10.936 16.975 -13.419 1.00 0.00 N ATOM 0 H GLN A 40 9.845 14.753 -11.227 1.00 0.00 H new ATOM 0 HA GLN A 40 12.274 16.210 -11.438 1.00 0.00 H new ATOM 0 HB2 GLN A 40 9.985 16.537 -9.463 1.00 0.00 H new ATOM 0 HB3 GLN A 40 11.173 17.753 -9.888 1.00 0.00 H new ATOM 0 HG2 GLN A 40 8.994 16.630 -11.701 1.00 0.00 H new ATOM 0 HG3 GLN A 40 9.062 18.242 -11.015 1.00 0.00 H new ATOM 0 HE21 GLN A 40 10.737 15.992 -13.232 1.00 0.00 H new ATOM 0 HE22 GLN A 40 11.498 17.236 -14.229 1.00 0.00 H new ATOM 679 N LEU A 41 11.853 14.380 -8.767 1.00 0.00 N ATOM 680 CA LEU A 41 12.518 13.633 -7.723 1.00 0.00 C ATOM 681 C LEU A 41 13.791 12.968 -8.260 1.00 0.00 C ATOM 682 O LEU A 41 14.857 13.124 -7.662 1.00 0.00 O ATOM 683 CB LEU A 41 11.470 12.623 -7.252 1.00 0.00 C ATOM 684 CG LEU A 41 11.987 11.505 -6.345 1.00 0.00 C ATOM 685 CD1 LEU A 41 12.472 12.116 -5.043 1.00 0.00 C ATOM 686 CD2 LEU A 41 10.856 10.510 -6.094 1.00 0.00 C ATOM 0 H LEU A 41 10.881 14.097 -8.896 1.00 0.00 H new ATOM 0 HA LEU A 41 12.858 14.257 -6.897 1.00 0.00 H new ATOM 0 HB2 LEU A 41 10.685 13.162 -6.722 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.009 12.170 -8.129 1.00 0.00 H new ATOM 0 HG LEU A 41 12.817 10.978 -6.815 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.843 11.328 -4.387 1.00 0.00 H new ATOM 0 HD12 LEU A 41 13.274 12.824 -5.250 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.647 12.635 -4.555 1.00 0.00 H new ATOM 0 HD21 LEU A 41 11.214 9.708 -5.448 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.023 11.021 -5.611 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.523 10.090 -7.043 1.00 0.00 H new ATOM 698 N SER A 42 13.703 12.278 -9.402 1.00 0.00 N ATOM 699 CA SER A 42 14.865 11.704 -10.064 1.00 0.00 C ATOM 700 C SER A 42 15.866 12.793 -10.451 1.00 0.00 C ATOM 701 O SER A 42 17.054 12.609 -10.207 1.00 0.00 O ATOM 702 CB SER A 42 14.446 10.883 -11.295 1.00 0.00 C ATOM 703 OG SER A 42 14.836 9.532 -11.151 1.00 0.00 O ATOM 0 H SER A 42 12.823 12.105 -9.888 1.00 0.00 H new ATOM 0 HA SER A 42 15.354 11.031 -9.360 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.366 10.943 -11.428 1.00 0.00 H new ATOM 0 HB3 SER A 42 14.901 11.304 -12.191 1.00 0.00 H new ATOM 0 HG SER A 42 15.814 9.473 -11.146 1.00 0.00 H new ATOM 709 N GLU A 43 15.443 13.932 -11.013 1.00 0.00 N ATOM 710 CA GLU A 43 16.395 14.981 -11.402 1.00 0.00 C ATOM 711 C GLU A 43 17.126 15.504 -10.173 1.00 0.00 C ATOM 712 O GLU A 43 18.329 15.739 -10.224 1.00 0.00 O ATOM 713 CB GLU A 43 15.745 16.166 -12.133 1.00 0.00 C ATOM 714 CG GLU A 43 14.799 15.699 -13.236 1.00 0.00 C ATOM 715 CD GLU A 43 14.599 16.737 -14.355 1.00 0.00 C ATOM 716 OE1 GLU A 43 15.545 16.986 -15.137 1.00 0.00 O ATOM 717 OE2 GLU A 43 13.481 17.282 -14.493 1.00 0.00 O ATOM 0 H GLU A 43 14.465 14.149 -11.206 1.00 0.00 H new ATOM 0 HA GLU A 43 17.088 14.512 -12.101 1.00 0.00 H new ATOM 0 HB2 GLU A 43 15.196 16.778 -11.417 1.00 0.00 H new ATOM 0 HB3 GLU A 43 16.522 16.798 -12.563 1.00 0.00 H new ATOM 0 HG2 GLU A 43 15.188 14.778 -13.671 1.00 0.00 H new ATOM 0 HG3 GLU A 43 13.831 15.460 -12.796 1.00 0.00 H new ATOM 724 N SER A 44 16.414 15.624 -9.056 1.00 0.00 N ATOM 725 CA SER A 44 17.011 16.052 -7.789 1.00 0.00 C ATOM 726 C SER A 44 18.120 15.072 -7.363 1.00 0.00 C ATOM 727 O SER A 44 19.248 15.483 -7.078 1.00 0.00 O ATOM 728 CB SER A 44 15.923 16.186 -6.716 1.00 0.00 C ATOM 729 OG SER A 44 14.852 17.005 -7.158 1.00 0.00 O ATOM 0 H SER A 44 15.414 15.430 -9.000 1.00 0.00 H new ATOM 0 HA SER A 44 17.473 17.031 -7.918 1.00 0.00 H new ATOM 0 HB2 SER A 44 15.543 15.198 -6.457 1.00 0.00 H new ATOM 0 HB3 SER A 44 16.355 16.609 -5.809 1.00 0.00 H new ATOM 0 HG SER A 44 14.354 16.540 -7.863 1.00 0.00 H new ATOM 735 N LEU A 45 17.823 13.767 -7.399 1.00 0.00 N ATOM 736 CA LEU A 45 18.784 12.707 -7.099 1.00 0.00 C ATOM 737 C LEU A 45 19.934 12.671 -8.118 1.00 0.00 C ATOM 738 O LEU A 45 21.061 12.314 -7.765 1.00 0.00 O ATOM 739 CB LEU A 45 18.026 11.366 -7.036 1.00 0.00 C ATOM 740 CG LEU A 45 18.812 10.179 -6.446 1.00 0.00 C ATOM 741 CD1 LEU A 45 19.394 10.467 -5.050 1.00 0.00 C ATOM 742 CD2 LEU A 45 17.901 8.954 -6.318 1.00 0.00 C ATOM 0 H LEU A 45 16.896 13.417 -7.641 1.00 0.00 H new ATOM 0 HA LEU A 45 19.251 12.903 -6.134 1.00 0.00 H new ATOM 0 HB2 LEU A 45 17.122 11.509 -6.444 1.00 0.00 H new ATOM 0 HB3 LEU A 45 17.709 11.102 -8.045 1.00 0.00 H new ATOM 0 HG LEU A 45 19.637 10.000 -7.136 1.00 0.00 H new ATOM 0 HD11 LEU A 45 19.935 9.590 -4.693 1.00 0.00 H new ATOM 0 HD12 LEU A 45 20.076 11.315 -5.108 1.00 0.00 H new ATOM 0 HD13 LEU A 45 18.584 10.700 -4.359 1.00 0.00 H new ATOM 0 HD21 LEU A 45 18.467 8.122 -5.900 1.00 0.00 H new ATOM 0 HD22 LEU A 45 17.064 9.190 -5.661 1.00 0.00 H new ATOM 0 HD23 LEU A 45 17.523 8.678 -7.302 1.00 0.00 H new ATOM 754 N THR A 46 19.682 13.072 -9.364 1.00 0.00 N ATOM 755 CA THR A 46 20.665 13.080 -10.445 1.00 0.00 C ATOM 756 C THR A 46 21.605 14.287 -10.326 1.00 0.00 C ATOM 757 O THR A 46 22.810 14.143 -10.527 1.00 0.00 O ATOM 758 CB THR A 46 19.939 13.060 -11.800 1.00 0.00 C ATOM 759 OG1 THR A 46 19.030 11.976 -11.844 1.00 0.00 O ATOM 760 CG2 THR A 46 20.907 12.899 -12.974 1.00 0.00 C ATOM 0 H THR A 46 18.765 13.409 -9.656 1.00 0.00 H new ATOM 0 HA THR A 46 21.284 12.186 -10.371 1.00 0.00 H new ATOM 0 HB THR A 46 19.424 14.016 -11.892 1.00 0.00 H new ATOM 0 HG1 THR A 46 18.137 12.287 -11.585 1.00 0.00 H new ATOM 0 HG21 THR A 46 20.347 12.891 -13.909 1.00 0.00 H new ATOM 0 HG22 THR A 46 21.612 13.730 -12.981 1.00 0.00 H new ATOM 0 HG23 THR A 46 21.453 11.961 -12.870 1.00 0.00 H new ATOM 768 N LYS A 47 21.104 15.467 -9.947 1.00 0.00 N ATOM 769 CA LYS A 47 21.958 16.631 -9.703 1.00 0.00 C ATOM 770 C LYS A 47 22.908 16.337 -8.546 1.00 0.00 C ATOM 771 O LYS A 47 24.089 16.671 -8.624 1.00 0.00 O ATOM 772 CB LYS A 47 21.111 17.890 -9.450 1.00 0.00 C ATOM 773 CG LYS A 47 20.464 18.379 -10.759 1.00 0.00 C ATOM 774 CD LYS A 47 19.679 19.690 -10.619 1.00 0.00 C ATOM 775 CE LYS A 47 18.465 19.577 -9.684 1.00 0.00 C ATOM 776 NZ LYS A 47 17.639 20.811 -9.714 1.00 0.00 N ATOM 0 H LYS A 47 20.109 15.640 -9.803 1.00 0.00 H new ATOM 0 HA LYS A 47 22.558 16.830 -10.591 1.00 0.00 H new ATOM 0 HB2 LYS A 47 20.337 17.672 -8.714 1.00 0.00 H new ATOM 0 HB3 LYS A 47 21.737 18.678 -9.031 1.00 0.00 H new ATOM 0 HG2 LYS A 47 21.244 18.513 -11.509 1.00 0.00 H new ATOM 0 HG3 LYS A 47 19.793 17.605 -11.132 1.00 0.00 H new ATOM 0 HD2 LYS A 47 20.346 20.466 -10.244 1.00 0.00 H new ATOM 0 HD3 LYS A 47 19.341 20.009 -11.605 1.00 0.00 H new ATOM 0 HE2 LYS A 47 17.856 18.723 -9.979 1.00 0.00 H new ATOM 0 HE3 LYS A 47 18.805 19.390 -8.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 17.123 20.906 -8.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 18.255 21.638 -9.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 16.959 20.755 -10.499 1.00 0.00 H new ATOM 790 N PHE A 48 22.426 15.647 -7.507 1.00 0.00 N ATOM 791 CA PHE A 48 23.284 15.158 -6.436 1.00 0.00 C ATOM 792 C PHE A 48 24.313 14.170 -7.015 1.00 0.00 C ATOM 793 O PHE A 48 25.495 14.296 -6.712 1.00 0.00 O ATOM 794 CB PHE A 48 22.387 14.610 -5.302 1.00 0.00 C ATOM 795 CG PHE A 48 23.014 13.770 -4.194 1.00 0.00 C ATOM 796 CD1 PHE A 48 24.393 13.805 -3.903 1.00 0.00 C ATOM 797 CD2 PHE A 48 22.191 12.887 -3.469 1.00 0.00 C ATOM 798 CE1 PHE A 48 24.944 12.944 -2.943 1.00 0.00 C ATOM 799 CE2 PHE A 48 22.747 12.012 -2.518 1.00 0.00 C ATOM 800 CZ PHE A 48 24.122 12.049 -2.243 1.00 0.00 C ATOM 0 H PHE A 48 21.439 15.416 -7.390 1.00 0.00 H new ATOM 0 HA PHE A 48 23.883 15.948 -5.984 1.00 0.00 H new ATOM 0 HB2 PHE A 48 21.898 15.462 -4.830 1.00 0.00 H new ATOM 0 HB3 PHE A 48 21.604 14.010 -5.765 1.00 0.00 H new ATOM 0 HD1 PHE A 48 25.032 14.502 -4.425 1.00 0.00 H new ATOM 0 HD2 PHE A 48 21.125 12.881 -3.644 1.00 0.00 H new ATOM 0 HE1 PHE A 48 26.005 12.970 -2.742 1.00 0.00 H new ATOM 0 HE2 PHE A 48 22.113 11.309 -1.998 1.00 0.00 H new ATOM 0 HZ PHE A 48 24.545 11.392 -1.497 1.00 0.00 H new ATOM 810 N PHE A 49 23.920 13.231 -7.884 1.00 0.00 N ATOM 811 CA PHE A 49 24.859 12.269 -8.472 1.00 0.00 C ATOM 812 C PHE A 49 25.966 12.976 -9.267 1.00 0.00 C ATOM 813 O PHE A 49 27.119 12.548 -9.210 1.00 0.00 O ATOM 814 CB PHE A 49 24.095 11.249 -9.338 1.00 0.00 C ATOM 815 CG PHE A 49 24.930 10.532 -10.383 1.00 0.00 C ATOM 816 CD1 PHE A 49 25.747 9.442 -10.025 1.00 0.00 C ATOM 817 CD2 PHE A 49 24.908 10.983 -11.718 1.00 0.00 C ATOM 818 CE1 PHE A 49 26.550 8.820 -11.001 1.00 0.00 C ATOM 819 CE2 PHE A 49 25.702 10.351 -12.691 1.00 0.00 C ATOM 820 CZ PHE A 49 26.525 9.271 -12.332 1.00 0.00 C ATOM 0 H PHE A 49 22.956 13.117 -8.196 1.00 0.00 H new ATOM 0 HA PHE A 49 25.352 11.729 -7.664 1.00 0.00 H new ATOM 0 HB2 PHE A 49 23.646 10.504 -8.681 1.00 0.00 H new ATOM 0 HB3 PHE A 49 23.277 11.765 -9.841 1.00 0.00 H new ATOM 0 HD1 PHE A 49 25.758 9.084 -9.006 1.00 0.00 H new ATOM 0 HD2 PHE A 49 24.279 11.817 -11.994 1.00 0.00 H new ATOM 0 HE1 PHE A 49 27.188 7.993 -10.725 1.00 0.00 H new ATOM 0 HE2 PHE A 49 25.679 10.696 -13.714 1.00 0.00 H new ATOM 0 HZ PHE A 49 27.138 8.787 -13.078 1.00 0.00 H new ATOM 830 N ASP A 50 25.647 14.064 -9.974 1.00 0.00 N ATOM 831 CA ASP A 50 26.638 14.841 -10.714 1.00 0.00 C ATOM 832 C ASP A 50 27.599 15.565 -9.763 1.00 0.00 C ATOM 833 O ASP A 50 28.799 15.626 -10.031 1.00 0.00 O ATOM 834 CB ASP A 50 25.942 15.857 -11.625 1.00 0.00 C ATOM 835 CG ASP A 50 26.976 16.725 -12.363 1.00 0.00 C ATOM 836 OD1 ASP A 50 27.628 16.225 -13.306 1.00 0.00 O ATOM 837 OD2 ASP A 50 27.120 17.922 -12.026 1.00 0.00 O ATOM 0 H ASP A 50 24.697 14.428 -10.048 1.00 0.00 H new ATOM 0 HA ASP A 50 27.219 14.149 -11.324 1.00 0.00 H new ATOM 0 HB2 ASP A 50 25.316 15.335 -12.348 1.00 0.00 H new ATOM 0 HB3 ASP A 50 25.283 16.492 -11.033 1.00 0.00 H new ATOM 842 N ASP A 51 27.087 16.089 -8.643 1.00 0.00 N ATOM 843 CA ASP A 51 27.889 16.801 -7.643 1.00 0.00 C ATOM 844 C ASP A 51 28.740 15.832 -6.803 1.00 0.00 C ATOM 845 O ASP A 51 29.810 16.200 -6.323 1.00 0.00 O ATOM 846 CB ASP A 51 26.966 17.657 -6.760 1.00 0.00 C ATOM 847 CG ASP A 51 27.691 18.751 -5.948 1.00 0.00 C ATOM 848 OD1 ASP A 51 28.872 19.073 -6.216 1.00 0.00 O ATOM 849 OD2 ASP A 51 27.043 19.334 -5.052 1.00 0.00 O ATOM 0 H ASP A 51 26.097 16.030 -8.404 1.00 0.00 H new ATOM 0 HA ASP A 51 28.589 17.459 -8.159 1.00 0.00 H new ATOM 0 HB2 ASP A 51 26.215 18.130 -7.393 1.00 0.00 H new ATOM 0 HB3 ASP A 51 26.435 17.002 -6.070 1.00 0.00 H new ATOM 854 N ALA A 52 28.309 14.570 -6.673 1.00 0.00 N ATOM 855 CA ALA A 52 29.048 13.438 -6.100 1.00 0.00 C ATOM 856 C ALA A 52 29.664 13.697 -4.704 1.00 0.00 C ATOM 857 O ALA A 52 30.671 13.081 -4.345 1.00 0.00 O ATOM 858 CB ALA A 52 30.089 12.959 -7.128 1.00 0.00 C ATOM 0 H ALA A 52 27.377 14.296 -6.985 1.00 0.00 H new ATOM 0 HA ALA A 52 28.326 12.645 -5.903 1.00 0.00 H new ATOM 0 HB1 ALA A 52 30.646 12.118 -6.716 1.00 0.00 H new ATOM 0 HB2 ALA A 52 29.582 12.646 -8.041 1.00 0.00 H new ATOM 0 HB3 ALA A 52 30.777 13.773 -7.356 1.00 0.00 H new ATOM 864 N LYS A 53 29.101 14.617 -3.903 1.00 0.00 N ATOM 865 CA LYS A 53 29.682 14.994 -2.602 1.00 0.00 C ATOM 866 C LYS A 53 29.628 13.843 -1.589 1.00 0.00 C ATOM 867 O LYS A 53 30.505 13.740 -0.731 1.00 0.00 O ATOM 868 CB LYS A 53 28.968 16.205 -1.977 1.00 0.00 C ATOM 869 CG LYS A 53 28.751 17.446 -2.857 1.00 0.00 C ATOM 870 CD LYS A 53 29.829 18.529 -2.730 1.00 0.00 C ATOM 871 CE LYS A 53 31.182 18.223 -3.387 1.00 0.00 C ATOM 872 NZ LYS A 53 31.099 18.140 -4.865 1.00 0.00 N ATOM 0 H LYS A 53 28.241 15.115 -4.134 1.00 0.00 H new ATOM 0 HA LYS A 53 30.720 15.248 -2.816 1.00 0.00 H new ATOM 0 HB2 LYS A 53 27.992 15.872 -1.623 1.00 0.00 H new ATOM 0 HB3 LYS A 53 29.537 16.513 -1.100 1.00 0.00 H new ATOM 0 HG2 LYS A 53 28.697 17.129 -3.898 1.00 0.00 H new ATOM 0 HG3 LYS A 53 27.785 17.885 -2.607 1.00 0.00 H new ATOM 0 HD2 LYS A 53 29.440 19.451 -3.162 1.00 0.00 H new ATOM 0 HD3 LYS A 53 29.999 18.720 -1.670 1.00 0.00 H new ATOM 0 HE2 LYS A 53 31.898 18.997 -3.111 1.00 0.00 H new ATOM 0 HE3 LYS A 53 31.565 17.281 -2.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 32.010 18.421 -5.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 30.877 17.164 -5.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 30.352 18.777 -5.207 1.00 0.00 H new ATOM 886 N SER A 54 28.603 12.994 -1.700 1.00 0.00 N ATOM 887 CA SER A 54 28.242 11.978 -0.715 1.00 0.00 C ATOM 888 C SER A 54 27.629 10.754 -1.413 1.00 0.00 C ATOM 889 O SER A 54 26.647 10.193 -0.932 1.00 0.00 O ATOM 890 CB SER A 54 27.245 12.616 0.272 1.00 0.00 C ATOM 891 OG SER A 54 27.778 13.763 0.923 1.00 0.00 O ATOM 0 H SER A 54 27.981 12.998 -2.508 1.00 0.00 H new ATOM 0 HA SER A 54 29.124 11.632 -0.176 1.00 0.00 H new ATOM 0 HB2 SER A 54 26.338 12.896 -0.264 1.00 0.00 H new ATOM 0 HB3 SER A 54 26.958 11.878 1.021 1.00 0.00 H new ATOM 0 HG SER A 54 27.787 13.615 1.892 1.00 0.00 H new ATOM 897 N THR A 55 28.138 10.374 -2.589 1.00 0.00 N ATOM 898 CA THR A 55 27.532 9.371 -3.468 1.00 0.00 C ATOM 899 C THR A 55 26.992 8.109 -2.752 1.00 0.00 C ATOM 900 O THR A 55 25.847 7.743 -3.043 1.00 0.00 O ATOM 901 CB THR A 55 28.491 9.063 -4.633 1.00 0.00 C ATOM 902 OG1 THR A 55 29.077 10.274 -5.073 1.00 0.00 O ATOM 903 CG2 THR A 55 27.773 8.418 -5.820 1.00 0.00 C ATOM 0 H THR A 55 29.002 10.764 -2.964 1.00 0.00 H new ATOM 0 HA THR A 55 26.620 9.809 -3.874 1.00 0.00 H new ATOM 0 HB THR A 55 29.241 8.362 -4.268 1.00 0.00 H new ATOM 0 HG1 THR A 55 29.691 10.090 -5.814 1.00 0.00 H new ATOM 0 HG21 THR A 55 28.491 8.220 -6.616 1.00 0.00 H new ATOM 0 HG22 THR A 55 27.315 7.481 -5.503 1.00 0.00 H new ATOM 0 HG23 THR A 55 27.000 9.093 -6.188 1.00 0.00 H new ATOM 911 N PRO A 56 27.719 7.481 -1.796 1.00 0.00 N ATOM 912 CA PRO A 56 27.264 6.321 -1.026 1.00 0.00 C ATOM 913 C PRO A 56 25.910 6.425 -0.314 1.00 0.00 C ATOM 914 O PRO A 56 25.369 5.374 0.035 1.00 0.00 O ATOM 915 CB PRO A 56 28.367 6.025 -0.008 1.00 0.00 C ATOM 916 CG PRO A 56 29.619 6.494 -0.729 1.00 0.00 C ATOM 917 CD PRO A 56 29.122 7.728 -1.479 1.00 0.00 C ATOM 0 HA PRO A 56 27.086 5.524 -1.748 1.00 0.00 H new ATOM 0 HB2 PRO A 56 28.211 6.564 0.926 1.00 0.00 H new ATOM 0 HB3 PRO A 56 28.415 4.965 0.240 1.00 0.00 H new ATOM 0 HG2 PRO A 56 30.422 6.737 -0.033 1.00 0.00 H new ATOM 0 HG3 PRO A 56 30.006 5.734 -1.408 1.00 0.00 H new ATOM 0 HD2 PRO A 56 29.230 8.624 -0.867 1.00 0.00 H new ATOM 0 HD3 PRO A 56 29.702 7.890 -2.387 1.00 0.00 H new ATOM 925 N LEU A 57 25.316 7.616 -0.121 1.00 0.00 N ATOM 926 CA LEU A 57 23.941 7.719 0.404 1.00 0.00 C ATOM 927 C LEU A 57 22.964 6.891 -0.450 1.00 0.00 C ATOM 928 O LEU A 57 21.934 6.433 0.049 1.00 0.00 O ATOM 929 CB LEU A 57 23.443 9.181 0.478 1.00 0.00 C ATOM 930 CG LEU A 57 24.186 10.145 1.427 1.00 0.00 C ATOM 931 CD1 LEU A 57 23.484 11.505 1.496 1.00 0.00 C ATOM 932 CD2 LEU A 57 24.313 9.663 2.871 1.00 0.00 C ATOM 0 H LEU A 57 25.760 8.513 -0.318 1.00 0.00 H new ATOM 0 HA LEU A 57 23.970 7.322 1.419 1.00 0.00 H new ATOM 0 HB2 LEU A 57 23.485 9.601 -0.527 1.00 0.00 H new ATOM 0 HB3 LEU A 57 22.394 9.163 0.772 1.00 0.00 H new ATOM 0 HG LEU A 57 25.183 10.206 0.990 1.00 0.00 H new ATOM 0 HD11 LEU A 57 24.030 12.163 2.172 1.00 0.00 H new ATOM 0 HD12 LEU A 57 23.455 11.950 0.502 1.00 0.00 H new ATOM 0 HD13 LEU A 57 22.467 11.371 1.864 1.00 0.00 H new ATOM 0 HD21 LEU A 57 24.849 10.409 3.458 1.00 0.00 H new ATOM 0 HD22 LEU A 57 23.319 9.515 3.294 1.00 0.00 H new ATOM 0 HD23 LEU A 57 24.861 8.721 2.893 1.00 0.00 H new ATOM 944 N ARG A 58 23.293 6.649 -1.727 1.00 0.00 N ATOM 945 CA ARG A 58 22.494 5.819 -2.628 1.00 0.00 C ATOM 946 C ARG A 58 22.341 4.373 -2.177 1.00 0.00 C ATOM 947 O ARG A 58 21.368 3.752 -2.597 1.00 0.00 O ATOM 948 CB ARG A 58 23.043 5.897 -4.055 1.00 0.00 C ATOM 949 CG ARG A 58 22.570 7.200 -4.695 1.00 0.00 C ATOM 950 CD ARG A 58 23.439 7.593 -5.891 1.00 0.00 C ATOM 951 NE ARG A 58 23.108 8.956 -6.314 1.00 0.00 N ATOM 952 CZ ARG A 58 23.406 10.046 -5.606 1.00 0.00 C ATOM 953 NH1 ARG A 58 24.224 9.981 -4.556 1.00 0.00 N ATOM 954 NH2 ARG A 58 22.858 11.203 -5.929 1.00 0.00 N ATOM 0 H ARG A 58 24.132 7.030 -2.164 1.00 0.00 H new ATOM 0 HA ARG A 58 21.486 6.234 -2.603 1.00 0.00 H new ATOM 0 HB2 ARG A 58 24.132 5.856 -4.043 1.00 0.00 H new ATOM 0 HB3 ARG A 58 22.699 5.043 -4.639 1.00 0.00 H new ATOM 0 HG2 ARG A 58 21.535 7.092 -5.018 1.00 0.00 H new ATOM 0 HG3 ARG A 58 22.591 7.998 -3.953 1.00 0.00 H new ATOM 0 HD2 ARG A 58 24.494 7.531 -5.623 1.00 0.00 H new ATOM 0 HD3 ARG A 58 23.278 6.897 -6.714 1.00 0.00 H new ATOM 0 HE ARG A 58 22.621 9.078 -7.202 1.00 0.00 H new ATOM 0 HH11 ARG A 58 24.633 9.087 -4.283 1.00 0.00 H new ATOM 0 HH12 ARG A 58 24.441 10.825 -4.026 1.00 0.00 H new ATOM 0 HH21 ARG A 58 22.211 11.259 -6.716 1.00 0.00 H new ATOM 0 HH22 ARG A 58 23.081 12.041 -5.392 1.00 0.00 H new ATOM 968 N LEU A 59 23.195 3.850 -1.291 1.00 0.00 N ATOM 969 CA LEU A 59 22.968 2.538 -0.687 1.00 0.00 C ATOM 970 C LEU A 59 21.631 2.549 0.056 1.00 0.00 C ATOM 971 O LEU A 59 20.771 1.701 -0.188 1.00 0.00 O ATOM 972 CB LEU A 59 24.104 2.175 0.290 1.00 0.00 C ATOM 973 CG LEU A 59 25.475 1.934 -0.368 1.00 0.00 C ATOM 974 CD1 LEU A 59 26.542 1.736 0.713 1.00 0.00 C ATOM 975 CD2 LEU A 59 25.460 0.716 -1.299 1.00 0.00 C ATOM 0 H LEU A 59 24.047 4.316 -0.978 1.00 0.00 H new ATOM 0 HA LEU A 59 22.948 1.789 -1.478 1.00 0.00 H new ATOM 0 HB2 LEU A 59 24.205 2.977 1.021 1.00 0.00 H new ATOM 0 HB3 LEU A 59 23.818 1.278 0.839 1.00 0.00 H new ATOM 0 HG LEU A 59 25.708 2.812 -0.970 1.00 0.00 H new ATOM 0 HD11 LEU A 59 27.510 1.566 0.242 1.00 0.00 H new ATOM 0 HD12 LEU A 59 26.595 2.626 1.340 1.00 0.00 H new ATOM 0 HD13 LEU A 59 26.281 0.875 1.328 1.00 0.00 H new ATOM 0 HD21 LEU A 59 26.447 0.584 -1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 59 25.196 -0.175 -0.729 1.00 0.00 H new ATOM 0 HD23 LEU A 59 24.726 0.872 -2.090 1.00 0.00 H new ATOM 987 N ARG A 60 21.438 3.544 0.932 1.00 0.00 N ATOM 988 CA ARG A 60 20.197 3.683 1.691 1.00 0.00 C ATOM 989 C ARG A 60 19.050 4.042 0.752 1.00 0.00 C ATOM 990 O ARG A 60 17.960 3.492 0.907 1.00 0.00 O ATOM 991 CB ARG A 60 20.329 4.752 2.787 1.00 0.00 C ATOM 992 CG ARG A 60 21.328 4.383 3.896 1.00 0.00 C ATOM 993 CD ARG A 60 21.322 5.477 4.971 1.00 0.00 C ATOM 994 NE ARG A 60 22.251 5.190 6.080 1.00 0.00 N ATOM 995 CZ ARG A 60 23.338 5.906 6.404 1.00 0.00 C ATOM 996 NH1 ARG A 60 23.825 6.845 5.601 1.00 0.00 N ATOM 997 NH2 ARG A 60 23.966 5.710 7.554 1.00 0.00 N ATOM 0 H ARG A 60 22.131 4.265 1.130 1.00 0.00 H new ATOM 0 HA ARG A 60 19.988 2.728 2.173 1.00 0.00 H new ATOM 0 HB2 ARG A 60 20.639 5.692 2.330 1.00 0.00 H new ATOM 0 HB3 ARG A 60 19.350 4.923 3.235 1.00 0.00 H new ATOM 0 HG2 ARG A 60 21.060 3.423 4.337 1.00 0.00 H new ATOM 0 HG3 ARG A 60 22.329 4.274 3.478 1.00 0.00 H new ATOM 0 HD2 ARG A 60 21.590 6.430 4.515 1.00 0.00 H new ATOM 0 HD3 ARG A 60 20.312 5.586 5.367 1.00 0.00 H new ATOM 0 HE ARG A 60 22.048 4.371 6.654 1.00 0.00 H new ATOM 0 HH11 ARG A 60 23.370 7.039 4.709 1.00 0.00 H new ATOM 0 HH12 ARG A 60 24.654 7.372 5.877 1.00 0.00 H new ATOM 0 HH21 ARG A 60 23.624 5.006 8.208 1.00 0.00 H new ATOM 0 HH22 ARG A 60 24.791 6.263 7.785 1.00 0.00 H new ATOM 1011 N LEU A 61 19.296 4.945 -0.201 1.00 0.00 N ATOM 1012 CA LEU A 61 18.294 5.434 -1.147 1.00 0.00 C ATOM 1013 C LEU A 61 17.690 4.264 -1.928 1.00 0.00 C ATOM 1014 O LEU A 61 16.471 4.102 -1.958 1.00 0.00 O ATOM 1015 CB LEU A 61 18.943 6.492 -2.061 1.00 0.00 C ATOM 1016 CG LEU A 61 18.016 7.602 -2.579 1.00 0.00 C ATOM 1017 CD1 LEU A 61 16.948 7.065 -3.521 1.00 0.00 C ATOM 1018 CD2 LEU A 61 17.376 8.399 -1.442 1.00 0.00 C ATOM 0 H LEU A 61 20.216 5.364 -0.338 1.00 0.00 H new ATOM 0 HA LEU A 61 17.469 5.912 -0.618 1.00 0.00 H new ATOM 0 HB2 LEU A 61 19.764 6.958 -1.516 1.00 0.00 H new ATOM 0 HB3 LEU A 61 19.379 5.982 -2.920 1.00 0.00 H new ATOM 0 HG LEU A 61 18.651 8.283 -3.146 1.00 0.00 H new ATOM 0 HD11 LEU A 61 16.317 7.886 -3.861 1.00 0.00 H new ATOM 0 HD12 LEU A 61 17.425 6.593 -4.380 1.00 0.00 H new ATOM 0 HD13 LEU A 61 16.337 6.330 -2.997 1.00 0.00 H new ATOM 0 HD21 LEU A 61 16.730 9.172 -1.858 1.00 0.00 H new ATOM 0 HD22 LEU A 61 16.785 7.730 -0.816 1.00 0.00 H new ATOM 0 HD23 LEU A 61 18.156 8.864 -0.840 1.00 0.00 H new ATOM 1030 N TYR A 62 18.526 3.412 -2.518 1.00 0.00 N ATOM 1031 CA TYR A 62 18.063 2.242 -3.248 1.00 0.00 C ATOM 1032 C TYR A 62 17.318 1.286 -2.316 1.00 0.00 C ATOM 1033 O TYR A 62 16.189 0.898 -2.614 1.00 0.00 O ATOM 1034 CB TYR A 62 19.262 1.530 -3.897 1.00 0.00 C ATOM 1035 CG TYR A 62 18.995 0.074 -4.234 1.00 0.00 C ATOM 1036 CD1 TYR A 62 18.209 -0.267 -5.351 1.00 0.00 C ATOM 1037 CD2 TYR A 62 19.479 -0.937 -3.379 1.00 0.00 C ATOM 1038 CE1 TYR A 62 17.899 -1.615 -5.607 1.00 0.00 C ATOM 1039 CE2 TYR A 62 19.175 -2.284 -3.629 1.00 0.00 C ATOM 1040 CZ TYR A 62 18.375 -2.631 -4.740 1.00 0.00 C ATOM 1041 OH TYR A 62 18.071 -3.942 -4.951 1.00 0.00 O ATOM 0 H TYR A 62 19.541 3.516 -2.502 1.00 0.00 H new ATOM 0 HA TYR A 62 17.372 2.563 -4.028 1.00 0.00 H new ATOM 0 HB2 TYR A 62 19.539 2.060 -4.808 1.00 0.00 H new ATOM 0 HB3 TYR A 62 20.116 1.587 -3.223 1.00 0.00 H new ATOM 0 HD1 TYR A 62 17.844 0.506 -6.011 1.00 0.00 H new ATOM 0 HD2 TYR A 62 20.087 -0.673 -2.527 1.00 0.00 H new ATOM 0 HE1 TYR A 62 17.298 -1.876 -6.465 1.00 0.00 H new ATOM 0 HE2 TYR A 62 19.552 -3.054 -2.973 1.00 0.00 H new ATOM 0 HH TYR A 62 18.487 -4.491 -4.254 1.00 0.00 H new ATOM 1051 N ASP A 63 17.937 0.924 -1.188 1.00 0.00 N ATOM 1052 CA ASP A 63 17.440 -0.157 -0.341 1.00 0.00 C ATOM 1053 C ASP A 63 16.156 0.179 0.421 1.00 0.00 C ATOM 1054 O ASP A 63 15.420 -0.738 0.792 1.00 0.00 O ATOM 1055 CB ASP A 63 18.547 -0.586 0.629 1.00 0.00 C ATOM 1056 CG ASP A 63 18.128 -1.790 1.489 1.00 0.00 C ATOM 1057 OD1 ASP A 63 17.919 -2.893 0.936 1.00 0.00 O ATOM 1058 OD2 ASP A 63 18.070 -1.657 2.732 1.00 0.00 O ATOM 0 H ASP A 63 18.787 1.368 -0.842 1.00 0.00 H new ATOM 0 HA ASP A 63 17.170 -0.978 -1.006 1.00 0.00 H new ATOM 0 HB2 ASP A 63 19.445 -0.839 0.065 1.00 0.00 H new ATOM 0 HB3 ASP A 63 18.804 0.251 1.278 1.00 0.00 H new ATOM 1063 N ASN A 64 15.849 1.465 0.640 1.00 0.00 N ATOM 1064 CA ASN A 64 14.765 1.871 1.544 1.00 0.00 C ATOM 1065 C ASN A 64 13.826 2.912 0.949 1.00 0.00 C ATOM 1066 O ASN A 64 12.847 3.257 1.614 1.00 0.00 O ATOM 1067 CB ASN A 64 15.315 2.452 2.862 1.00 0.00 C ATOM 1068 CG ASN A 64 16.340 1.581 3.561 1.00 0.00 C ATOM 1069 OD1 ASN A 64 16.015 0.757 4.413 1.00 0.00 O ATOM 1070 ND2 ASN A 64 17.599 1.775 3.217 1.00 0.00 N ATOM 0 H ASN A 64 16.339 2.245 0.201 1.00 0.00 H new ATOM 0 HA ASN A 64 14.205 0.953 1.721 1.00 0.00 H new ATOM 0 HB2 ASN A 64 15.765 3.423 2.655 1.00 0.00 H new ATOM 0 HB3 ASN A 64 14.481 2.625 3.542 1.00 0.00 H new ATOM 0 HD21 ASN A 64 18.339 1.232 3.662 1.00 0.00 H new ATOM 0 HD22 ASN A 64 17.832 2.468 2.506 1.00 0.00 H new ATOM 1077 N PHE A 65 14.091 3.447 -0.244 1.00 0.00 N ATOM 1078 CA PHE A 65 13.352 4.595 -0.755 1.00 0.00 C ATOM 1079 C PHE A 65 12.929 4.335 -2.203 1.00 0.00 C ATOM 1080 O PHE A 65 11.754 4.051 -2.427 1.00 0.00 O ATOM 1081 CB PHE A 65 14.204 5.852 -0.532 1.00 0.00 C ATOM 1082 CG PHE A 65 13.411 7.138 -0.487 1.00 0.00 C ATOM 1083 CD1 PHE A 65 13.084 7.813 -1.674 1.00 0.00 C ATOM 1084 CD2 PHE A 65 13.018 7.672 0.751 1.00 0.00 C ATOM 1085 CE1 PHE A 65 12.358 9.018 -1.623 1.00 0.00 C ATOM 1086 CE2 PHE A 65 12.350 8.902 0.807 1.00 0.00 C ATOM 1087 CZ PHE A 65 12.003 9.570 -0.380 1.00 0.00 C ATOM 0 H PHE A 65 14.815 3.100 -0.874 1.00 0.00 H new ATOM 0 HA PHE A 65 12.417 4.760 -0.219 1.00 0.00 H new ATOM 0 HB2 PHE A 65 14.753 5.744 0.403 1.00 0.00 H new ATOM 0 HB3 PHE A 65 14.944 5.922 -1.329 1.00 0.00 H new ATOM 0 HD1 PHE A 65 13.390 7.407 -2.627 1.00 0.00 H new ATOM 0 HD2 PHE A 65 13.231 7.133 1.662 1.00 0.00 H new ATOM 0 HE1 PHE A 65 12.074 9.518 -2.537 1.00 0.00 H new ATOM 0 HE2 PHE A 65 12.101 9.338 1.763 1.00 0.00 H new ATOM 0 HZ PHE A 65 11.465 10.505 -0.337 1.00 0.00 H new ATOM 1097 N VAL A 66 13.859 4.317 -3.170 1.00 0.00 N ATOM 1098 CA VAL A 66 13.561 4.010 -4.580 1.00 0.00 C ATOM 1099 C VAL A 66 13.008 2.581 -4.723 1.00 0.00 C ATOM 1100 O VAL A 66 12.264 2.316 -5.667 1.00 0.00 O ATOM 1101 CB VAL A 66 14.792 4.356 -5.468 1.00 0.00 C ATOM 1102 CG1 VAL A 66 14.864 3.728 -6.876 1.00 0.00 C ATOM 1103 CG2 VAL A 66 14.826 5.879 -5.684 1.00 0.00 C ATOM 0 H VAL A 66 14.844 4.516 -2.996 1.00 0.00 H new ATOM 0 HA VAL A 66 12.756 4.643 -4.953 1.00 0.00 H new ATOM 0 HB VAL A 66 15.629 3.938 -4.909 1.00 0.00 H new ATOM 0 HG11 VAL A 66 15.774 4.059 -7.376 1.00 0.00 H new ATOM 0 HG12 VAL A 66 14.872 2.641 -6.790 1.00 0.00 H new ATOM 0 HG13 VAL A 66 13.997 4.040 -7.458 1.00 0.00 H new ATOM 0 HG21 VAL A 66 15.683 6.139 -6.305 1.00 0.00 H new ATOM 0 HG22 VAL A 66 13.909 6.197 -6.180 1.00 0.00 H new ATOM 0 HG23 VAL A 66 14.910 6.381 -4.720 1.00 0.00 H new ATOM 1113 N SER A 67 13.247 1.689 -3.753 1.00 0.00 N ATOM 1114 CA SER A 67 12.615 0.378 -3.660 1.00 0.00 C ATOM 1115 C SER A 67 11.085 0.425 -3.728 1.00 0.00 C ATOM 1116 O SER A 67 10.470 -0.483 -4.293 1.00 0.00 O ATOM 1117 CB SER A 67 13.098 -0.315 -2.381 1.00 0.00 C ATOM 1118 OG SER A 67 13.079 0.575 -1.273 1.00 0.00 O ATOM 0 H SER A 67 13.904 1.870 -2.994 1.00 0.00 H new ATOM 0 HA SER A 67 12.916 -0.197 -4.535 1.00 0.00 H new ATOM 0 HB2 SER A 67 12.464 -1.176 -2.170 1.00 0.00 H new ATOM 0 HB3 SER A 67 14.110 -0.693 -2.529 1.00 0.00 H new ATOM 0 HG SER A 67 13.390 0.106 -0.471 1.00 0.00 H new ATOM 1124 N LYS A 68 10.451 1.474 -3.189 1.00 0.00 N ATOM 1125 CA LYS A 68 8.994 1.616 -3.220 1.00 0.00 C ATOM 1126 C LYS A 68 8.472 2.029 -4.597 1.00 0.00 C ATOM 1127 O LYS A 68 7.259 1.953 -4.805 1.00 0.00 O ATOM 1128 CB LYS A 68 8.544 2.623 -2.144 1.00 0.00 C ATOM 1129 CG LYS A 68 8.382 1.949 -0.772 1.00 0.00 C ATOM 1130 CD LYS A 68 8.142 2.973 0.348 1.00 0.00 C ATOM 1131 CE LYS A 68 9.463 3.562 0.861 1.00 0.00 C ATOM 1132 NZ LYS A 68 10.168 2.625 1.765 1.00 0.00 N ATOM 0 H LYS A 68 10.932 2.243 -2.722 1.00 0.00 H new ATOM 0 HA LYS A 68 8.566 0.637 -3.006 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.274 3.429 -2.070 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.598 3.076 -2.442 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.547 1.249 -0.808 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.276 1.367 -0.546 1.00 0.00 H new ATOM 0 HD2 LYS A 68 7.503 3.775 -0.021 1.00 0.00 H new ATOM 0 HD3 LYS A 68 7.611 2.496 1.171 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.106 3.804 0.015 1.00 0.00 H new ATOM 0 HE3 LYS A 68 9.265 4.495 1.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 11.195 2.766 1.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 9.875 2.803 2.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 9.930 1.647 1.505 1.00 0.00 H new ATOM 1146 N PHE A 69 9.324 2.469 -5.532 1.00 0.00 N ATOM 1147 CA PHE A 69 8.868 3.085 -6.775 1.00 0.00 C ATOM 1148 C PHE A 69 9.801 2.819 -7.969 1.00 0.00 C ATOM 1149 O PHE A 69 9.915 3.665 -8.855 1.00 0.00 O ATOM 1150 CB PHE A 69 8.558 4.576 -6.513 1.00 0.00 C ATOM 1151 CG PHE A 69 9.677 5.447 -5.963 1.00 0.00 C ATOM 1152 CD1 PHE A 69 9.821 5.606 -4.571 1.00 0.00 C ATOM 1153 CD2 PHE A 69 10.504 6.189 -6.828 1.00 0.00 C ATOM 1154 CE1 PHE A 69 10.779 6.490 -4.052 1.00 0.00 C ATOM 1155 CE2 PHE A 69 11.473 7.065 -6.309 1.00 0.00 C ATOM 1156 CZ PHE A 69 11.611 7.214 -4.920 1.00 0.00 C ATOM 0 H PHE A 69 10.338 2.407 -5.446 1.00 0.00 H new ATOM 0 HA PHE A 69 7.941 2.607 -7.091 1.00 0.00 H new ATOM 0 HB2 PHE A 69 8.220 5.018 -7.450 1.00 0.00 H new ATOM 0 HB3 PHE A 69 7.721 4.627 -5.817 1.00 0.00 H new ATOM 0 HD1 PHE A 69 9.190 5.044 -3.899 1.00 0.00 H new ATOM 0 HD2 PHE A 69 10.393 6.084 -7.897 1.00 0.00 H new ATOM 0 HE1 PHE A 69 10.876 6.613 -2.983 1.00 0.00 H new ATOM 0 HE2 PHE A 69 12.111 7.623 -6.978 1.00 0.00 H new ATOM 0 HZ PHE A 69 12.357 7.885 -4.520 1.00 0.00 H new ATOM 1166 N TYR A 70 10.415 1.626 -8.046 1.00 0.00 N ATOM 1167 CA TYR A 70 11.266 1.218 -9.172 1.00 0.00 C ATOM 1168 C TYR A 70 10.598 1.430 -10.538 1.00 0.00 C ATOM 1169 O TYR A 70 11.278 1.726 -11.519 1.00 0.00 O ATOM 1170 CB TYR A 70 11.614 -0.280 -9.095 1.00 0.00 C ATOM 1171 CG TYR A 70 12.467 -0.801 -7.950 1.00 0.00 C ATOM 1172 CD1 TYR A 70 13.585 -0.083 -7.482 1.00 0.00 C ATOM 1173 CD2 TYR A 70 12.197 -2.082 -7.431 1.00 0.00 C ATOM 1174 CE1 TYR A 70 14.426 -0.638 -6.501 1.00 0.00 C ATOM 1175 CE2 TYR A 70 13.024 -2.640 -6.442 1.00 0.00 C ATOM 1176 CZ TYR A 70 14.143 -1.920 -5.969 1.00 0.00 C ATOM 1177 OH TYR A 70 14.906 -2.451 -4.975 1.00 0.00 O ATOM 0 H TYR A 70 10.333 0.913 -7.321 1.00 0.00 H new ATOM 0 HA TYR A 70 12.154 1.845 -9.089 1.00 0.00 H new ATOM 0 HB2 TYR A 70 10.674 -0.831 -9.077 1.00 0.00 H new ATOM 0 HB3 TYR A 70 12.120 -0.544 -10.023 1.00 0.00 H new ATOM 0 HD1 TYR A 70 13.797 0.899 -7.879 1.00 0.00 H new ATOM 0 HD2 TYR A 70 11.347 -2.640 -7.796 1.00 0.00 H new ATOM 0 HE1 TYR A 70 15.287 -0.087 -6.153 1.00 0.00 H new ATOM 0 HE2 TYR A 70 12.804 -3.619 -6.043 1.00 0.00 H new ATOM 0 HH TYR A 70 15.846 -2.220 -5.126 1.00 0.00 H new ATOM 1187 N ASP A 71 9.279 1.232 -10.626 1.00 0.00 N ATOM 1188 CA ASP A 71 8.539 1.336 -11.886 1.00 0.00 C ATOM 1189 C ASP A 71 8.293 2.793 -12.294 1.00 0.00 C ATOM 1190 O ASP A 71 8.142 3.093 -13.478 1.00 0.00 O ATOM 1191 CB ASP A 71 7.196 0.608 -11.746 1.00 0.00 C ATOM 1192 CG ASP A 71 6.402 0.639 -13.062 1.00 0.00 C ATOM 1193 OD1 ASP A 71 6.670 -0.202 -13.946 1.00 0.00 O ATOM 1194 OD2 ASP A 71 5.495 1.491 -13.205 1.00 0.00 O ATOM 0 H ASP A 71 8.694 0.995 -9.824 1.00 0.00 H new ATOM 0 HA ASP A 71 9.144 0.875 -12.667 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.370 -0.426 -11.449 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.609 1.073 -10.954 1.00 0.00 H new ATOM 1199 N LYS A 72 8.244 3.718 -11.330 1.00 0.00 N ATOM 1200 CA LYS A 72 7.802 5.096 -11.566 1.00 0.00 C ATOM 1201 C LYS A 72 8.877 5.937 -12.257 1.00 0.00 C ATOM 1202 O LYS A 72 8.562 7.013 -12.766 1.00 0.00 O ATOM 1203 CB LYS A 72 7.396 5.764 -10.244 1.00 0.00 C ATOM 1204 CG LYS A 72 6.000 5.387 -9.717 1.00 0.00 C ATOM 1205 CD LYS A 72 5.730 3.882 -9.561 1.00 0.00 C ATOM 1206 CE LYS A 72 4.395 3.605 -8.857 1.00 0.00 C ATOM 1207 NZ LYS A 72 3.211 3.962 -9.682 1.00 0.00 N ATOM 0 H LYS A 72 8.510 3.532 -10.363 1.00 0.00 H new ATOM 0 HA LYS A 72 6.940 5.044 -12.231 1.00 0.00 H new ATOM 0 HB2 LYS A 72 8.134 5.507 -9.485 1.00 0.00 H new ATOM 0 HB3 LYS A 72 7.437 6.845 -10.375 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.856 5.865 -8.748 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.252 5.803 -10.392 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.725 3.411 -10.544 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.541 3.426 -8.993 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.342 2.548 -8.596 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.361 4.166 -7.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.342 3.752 -9.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.240 4.976 -9.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.222 3.408 -10.562 1.00 0.00 H new ATOM 1221 N ILE A 73 10.121 5.466 -12.291 1.00 0.00 N ATOM 1222 CA ILE A 73 11.249 6.137 -12.918 1.00 0.00 C ATOM 1223 C ILE A 73 11.982 5.143 -13.805 1.00 0.00 C ATOM 1224 O ILE A 73 11.904 3.935 -13.590 1.00 0.00 O ATOM 1225 CB ILE A 73 12.192 6.790 -11.872 1.00 0.00 C ATOM 1226 CG1 ILE A 73 12.236 6.114 -10.485 1.00 0.00 C ATOM 1227 CG2 ILE A 73 11.745 8.257 -11.740 1.00 0.00 C ATOM 1228 CD1 ILE A 73 13.422 6.616 -9.641 1.00 0.00 C ATOM 0 H ILE A 73 10.377 4.575 -11.867 1.00 0.00 H new ATOM 0 HA ILE A 73 10.878 6.957 -13.534 1.00 0.00 H new ATOM 0 HB ILE A 73 13.213 6.679 -12.237 1.00 0.00 H new ATOM 0 HG12 ILE A 73 11.304 6.311 -9.955 1.00 0.00 H new ATOM 0 HG13 ILE A 73 12.310 5.034 -10.609 1.00 0.00 H new ATOM 0 HG21 ILE A 73 12.378 8.766 -11.013 1.00 0.00 H new ATOM 0 HG22 ILE A 73 11.832 8.752 -12.707 1.00 0.00 H new ATOM 0 HG23 ILE A 73 10.708 8.293 -11.406 1.00 0.00 H new ATOM 0 HD11 ILE A 73 13.417 6.116 -8.673 1.00 0.00 H new ATOM 0 HD12 ILE A 73 14.356 6.396 -10.158 1.00 0.00 H new ATOM 0 HD13 ILE A 73 13.334 7.692 -9.494 1.00 0.00 H new ATOM 1240 N ASN A 74 12.679 5.685 -14.808 1.00 0.00 N ATOM 1241 CA ASN A 74 13.492 4.932 -15.756 1.00 0.00 C ATOM 1242 C ASN A 74 14.358 3.919 -15.010 1.00 0.00 C ATOM 1243 O ASN A 74 15.129 4.295 -14.125 1.00 0.00 O ATOM 1244 CB ASN A 74 14.357 5.911 -16.561 1.00 0.00 C ATOM 1245 CG ASN A 74 15.491 5.225 -17.315 1.00 0.00 C ATOM 1246 OD1 ASN A 74 15.336 4.137 -17.859 1.00 0.00 O ATOM 1247 ND2 ASN A 74 16.671 5.816 -17.319 1.00 0.00 N ATOM 0 H ASN A 74 12.691 6.690 -14.984 1.00 0.00 H new ATOM 0 HA ASN A 74 12.850 4.382 -16.444 1.00 0.00 H new ATOM 0 HB2 ASN A 74 13.726 6.444 -17.272 1.00 0.00 H new ATOM 0 HB3 ASN A 74 14.776 6.656 -15.885 1.00 0.00 H new ATOM 0 HD21 ASN A 74 17.464 5.368 -17.777 1.00 0.00 H new ATOM 0 HD22 ASN A 74 16.790 6.721 -16.864 1.00 0.00 H new ATOM 1254 N GLN A 75 14.250 2.641 -15.375 1.00 0.00 N ATOM 1255 CA GLN A 75 14.934 1.561 -14.674 1.00 0.00 C ATOM 1256 C GLN A 75 16.461 1.696 -14.752 1.00 0.00 C ATOM 1257 O GLN A 75 17.149 1.236 -13.841 1.00 0.00 O ATOM 1258 CB GLN A 75 14.460 0.204 -15.220 1.00 0.00 C ATOM 1259 CG GLN A 75 13.097 -0.227 -14.645 1.00 0.00 C ATOM 1260 CD GLN A 75 11.914 0.558 -15.217 1.00 0.00 C ATOM 1261 OE1 GLN A 75 11.696 0.583 -16.425 1.00 0.00 O ATOM 1262 NE2 GLN A 75 11.130 1.225 -14.387 1.00 0.00 N ATOM 0 H GLN A 75 13.685 2.329 -16.165 1.00 0.00 H new ATOM 0 HA GLN A 75 14.675 1.625 -13.617 1.00 0.00 H new ATOM 0 HB2 GLN A 75 14.390 0.259 -16.306 1.00 0.00 H new ATOM 0 HB3 GLN A 75 15.205 -0.557 -14.987 1.00 0.00 H new ATOM 0 HG2 GLN A 75 12.948 -1.288 -14.843 1.00 0.00 H new ATOM 0 HG3 GLN A 75 13.114 -0.104 -13.562 1.00 0.00 H new ATOM 0 HE21 GLN A 75 11.313 1.203 -13.384 1.00 0.00 H new ATOM 0 HE22 GLN A 75 10.342 1.762 -14.750 1.00 0.00 H new ATOM 1271 N LEU A 76 17.002 2.365 -15.779 1.00 0.00 N ATOM 1272 CA LEU A 76 18.435 2.657 -15.831 1.00 0.00 C ATOM 1273 C LEU A 76 18.792 3.816 -14.904 1.00 0.00 C ATOM 1274 O LEU A 76 19.897 3.806 -14.383 1.00 0.00 O ATOM 1275 CB LEU A 76 18.906 2.920 -17.272 1.00 0.00 C ATOM 1276 CG LEU A 76 18.799 1.698 -18.210 1.00 0.00 C ATOM 1277 CD1 LEU A 76 19.288 2.084 -19.611 1.00 0.00 C ATOM 1278 CD2 LEU A 76 19.619 0.503 -17.709 1.00 0.00 C ATOM 0 H LEU A 76 16.471 2.711 -16.578 1.00 0.00 H new ATOM 0 HA LEU A 76 18.966 1.774 -15.476 1.00 0.00 H new ATOM 0 HB2 LEU A 76 18.318 3.737 -17.690 1.00 0.00 H new ATOM 0 HB3 LEU A 76 19.943 3.254 -17.247 1.00 0.00 H new ATOM 0 HG LEU A 76 17.751 1.399 -18.233 1.00 0.00 H new ATOM 0 HD11 LEU A 76 19.213 1.221 -20.273 1.00 0.00 H new ATOM 0 HD12 LEU A 76 18.673 2.895 -20.000 1.00 0.00 H new ATOM 0 HD13 LEU A 76 20.327 2.410 -19.557 1.00 0.00 H new ATOM 0 HD21 LEU A 76 19.510 -0.330 -18.404 1.00 0.00 H new ATOM 0 HD22 LEU A 76 20.670 0.785 -17.643 1.00 0.00 H new ATOM 0 HD23 LEU A 76 19.261 0.203 -16.724 1.00 0.00 H new ATOM 1290 N SER A 77 17.909 4.781 -14.636 1.00 0.00 N ATOM 1291 CA SER A 77 18.142 5.781 -13.591 1.00 0.00 C ATOM 1292 C SER A 77 18.196 5.097 -12.234 1.00 0.00 C ATOM 1293 O SER A 77 19.176 5.269 -11.512 1.00 0.00 O ATOM 1294 CB SER A 77 17.095 6.898 -13.654 1.00 0.00 C ATOM 1295 OG SER A 77 17.066 7.458 -14.960 1.00 0.00 O ATOM 0 H SER A 77 17.023 4.891 -15.130 1.00 0.00 H new ATOM 0 HA SER A 77 19.106 6.263 -13.756 1.00 0.00 H new ATOM 0 HB2 SER A 77 16.112 6.503 -13.396 1.00 0.00 H new ATOM 0 HB3 SER A 77 17.330 7.671 -12.922 1.00 0.00 H new ATOM 0 HG SER A 77 16.394 8.170 -14.996 1.00 0.00 H new ATOM 1301 N VAL A 78 17.214 4.241 -11.952 1.00 0.00 N ATOM 1302 CA VAL A 78 17.168 3.440 -10.740 1.00 0.00 C ATOM 1303 C VAL A 78 18.507 2.715 -10.532 1.00 0.00 C ATOM 1304 O VAL A 78 19.177 2.931 -9.508 1.00 0.00 O ATOM 1305 CB VAL A 78 15.958 2.491 -10.851 1.00 0.00 C ATOM 1306 CG1 VAL A 78 15.986 1.393 -9.794 1.00 0.00 C ATOM 1307 CG2 VAL A 78 14.635 3.265 -10.761 1.00 0.00 C ATOM 0 H VAL A 78 16.419 4.086 -12.572 1.00 0.00 H new ATOM 0 HA VAL A 78 17.032 4.058 -9.852 1.00 0.00 H new ATOM 0 HB VAL A 78 16.027 2.017 -11.830 1.00 0.00 H new ATOM 0 HG11 VAL A 78 15.114 0.751 -9.913 1.00 0.00 H new ATOM 0 HG12 VAL A 78 16.893 0.799 -9.910 1.00 0.00 H new ATOM 0 HG13 VAL A 78 15.972 1.843 -8.801 1.00 0.00 H new ATOM 0 HG21 VAL A 78 13.800 2.569 -10.842 1.00 0.00 H new ATOM 0 HG22 VAL A 78 14.582 3.785 -9.805 1.00 0.00 H new ATOM 0 HG23 VAL A 78 14.582 3.991 -11.572 1.00 0.00 H new ATOM 1317 N VAL A 79 18.933 1.885 -11.494 1.00 0.00 N ATOM 1318 CA VAL A 79 20.163 1.153 -11.297 1.00 0.00 C ATOM 1319 C VAL A 79 21.372 2.085 -11.316 1.00 0.00 C ATOM 1320 O VAL A 79 22.262 1.847 -10.515 1.00 0.00 O ATOM 1321 CB VAL A 79 20.315 -0.058 -12.225 1.00 0.00 C ATOM 1322 CG1 VAL A 79 19.290 -1.152 -11.909 1.00 0.00 C ATOM 1323 CG2 VAL A 79 20.366 0.230 -13.728 1.00 0.00 C ATOM 0 H VAL A 79 18.456 1.716 -12.380 1.00 0.00 H new ATOM 0 HA VAL A 79 20.110 0.720 -10.298 1.00 0.00 H new ATOM 0 HB VAL A 79 21.317 -0.418 -11.993 1.00 0.00 H new ATOM 0 HG11 VAL A 79 19.433 -1.992 -12.589 1.00 0.00 H new ATOM 0 HG12 VAL A 79 19.424 -1.491 -10.882 1.00 0.00 H new ATOM 0 HG13 VAL A 79 18.283 -0.753 -12.031 1.00 0.00 H new ATOM 0 HG21 VAL A 79 20.475 -0.707 -14.274 1.00 0.00 H new ATOM 0 HG22 VAL A 79 19.444 0.724 -14.035 1.00 0.00 H new ATOM 0 HG23 VAL A 79 21.215 0.878 -13.946 1.00 0.00 H new ATOM 1333 N LYS A 80 21.435 3.152 -12.127 1.00 0.00 N ATOM 1334 CA LYS A 80 22.585 4.064 -12.120 1.00 0.00 C ATOM 1335 C LYS A 80 22.799 4.671 -10.743 1.00 0.00 C ATOM 1336 O LYS A 80 23.949 4.890 -10.368 1.00 0.00 O ATOM 1337 CB LYS A 80 22.465 5.172 -13.179 1.00 0.00 C ATOM 1338 CG LYS A 80 22.934 4.687 -14.562 1.00 0.00 C ATOM 1339 CD LYS A 80 22.855 5.777 -15.641 1.00 0.00 C ATOM 1340 CE LYS A 80 21.414 6.241 -15.907 1.00 0.00 C ATOM 1341 NZ LYS A 80 21.344 7.263 -16.983 1.00 0.00 N ATOM 0 H LYS A 80 20.705 3.403 -12.793 1.00 0.00 H new ATOM 0 HA LYS A 80 23.456 3.461 -12.377 1.00 0.00 H new ATOM 0 HB2 LYS A 80 21.429 5.505 -13.242 1.00 0.00 H new ATOM 0 HB3 LYS A 80 23.059 6.033 -12.874 1.00 0.00 H new ATOM 0 HG2 LYS A 80 23.962 4.332 -14.487 1.00 0.00 H new ATOM 0 HG3 LYS A 80 22.325 3.836 -14.868 1.00 0.00 H new ATOM 0 HD2 LYS A 80 23.457 6.632 -15.334 1.00 0.00 H new ATOM 0 HD3 LYS A 80 23.288 5.399 -16.567 1.00 0.00 H new ATOM 0 HE2 LYS A 80 20.803 5.382 -16.184 1.00 0.00 H new ATOM 0 HE3 LYS A 80 20.991 6.651 -14.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 20.354 7.547 -17.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 21.906 8.094 -16.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 21.723 6.864 -17.866 1.00 0.00 H new ATOM 1355 N TYR A 81 21.736 4.912 -9.976 1.00 0.00 N ATOM 1356 CA TYR A 81 21.880 5.414 -8.619 1.00 0.00 C ATOM 1357 C TYR A 81 22.562 4.348 -7.759 1.00 0.00 C ATOM 1358 O TYR A 81 23.611 4.618 -7.167 1.00 0.00 O ATOM 1359 CB TYR A 81 20.526 5.853 -8.035 1.00 0.00 C ATOM 1360 CG TYR A 81 19.756 6.895 -8.837 1.00 0.00 C ATOM 1361 CD1 TYR A 81 20.417 7.987 -9.441 1.00 0.00 C ATOM 1362 CD2 TYR A 81 18.360 6.763 -8.985 1.00 0.00 C ATOM 1363 CE1 TYR A 81 19.697 8.916 -10.212 1.00 0.00 C ATOM 1364 CE2 TYR A 81 17.635 7.682 -9.763 1.00 0.00 C ATOM 1365 CZ TYR A 81 18.303 8.758 -10.387 1.00 0.00 C ATOM 1366 OH TYR A 81 17.602 9.628 -11.163 1.00 0.00 O ATOM 0 H TYR A 81 20.771 4.767 -10.274 1.00 0.00 H new ATOM 0 HA TYR A 81 22.508 6.305 -8.629 1.00 0.00 H new ATOM 0 HB2 TYR A 81 19.897 4.970 -7.927 1.00 0.00 H new ATOM 0 HB3 TYR A 81 20.696 6.248 -7.033 1.00 0.00 H new ATOM 0 HD1 TYR A 81 21.482 8.109 -9.310 1.00 0.00 H new ATOM 0 HD2 TYR A 81 17.844 5.950 -8.497 1.00 0.00 H new ATOM 0 HE1 TYR A 81 20.208 9.750 -10.670 1.00 0.00 H new ATOM 0 HE2 TYR A 81 16.568 7.565 -9.883 1.00 0.00 H new ATOM 0 HH TYR A 81 18.177 10.382 -11.410 1.00 0.00 H new ATOM 1376 N LEU A 82 22.018 3.125 -7.734 1.00 0.00 N ATOM 1377 CA LEU A 82 22.629 2.046 -6.953 1.00 0.00 C ATOM 1378 C LEU A 82 24.081 1.798 -7.394 1.00 0.00 C ATOM 1379 O LEU A 82 24.987 1.697 -6.563 1.00 0.00 O ATOM 1380 CB LEU A 82 21.782 0.771 -7.078 1.00 0.00 C ATOM 1381 CG LEU A 82 22.410 -0.449 -6.375 1.00 0.00 C ATOM 1382 CD1 LEU A 82 22.682 -0.217 -4.882 1.00 0.00 C ATOM 1383 CD2 LEU A 82 21.494 -1.656 -6.565 1.00 0.00 C ATOM 0 H LEU A 82 21.170 2.862 -8.237 1.00 0.00 H new ATOM 0 HA LEU A 82 22.657 2.343 -5.905 1.00 0.00 H new ATOM 0 HB2 LEU A 82 20.794 0.956 -6.656 1.00 0.00 H new ATOM 0 HB3 LEU A 82 21.639 0.540 -8.134 1.00 0.00 H new ATOM 0 HG LEU A 82 23.382 -0.627 -6.834 1.00 0.00 H new ATOM 0 HD11 LEU A 82 23.124 -1.114 -4.449 1.00 0.00 H new ATOM 0 HD12 LEU A 82 23.370 0.620 -4.763 1.00 0.00 H new ATOM 0 HD13 LEU A 82 21.745 0.009 -4.372 1.00 0.00 H new ATOM 0 HD21 LEU A 82 21.930 -2.525 -6.071 1.00 0.00 H new ATOM 0 HD22 LEU A 82 20.517 -1.443 -6.131 1.00 0.00 H new ATOM 0 HD23 LEU A 82 21.381 -1.863 -7.629 1.00 0.00 H new ATOM 1395 N LEU A 83 24.303 1.743 -8.706 1.00 0.00 N ATOM 1396 CA LEU A 83 25.604 1.554 -9.325 1.00 0.00 C ATOM 1397 C LEU A 83 26.564 2.644 -8.855 1.00 0.00 C ATOM 1398 O LEU A 83 27.702 2.325 -8.542 1.00 0.00 O ATOM 1399 CB LEU A 83 25.477 1.565 -10.864 1.00 0.00 C ATOM 1400 CG LEU A 83 24.812 0.307 -11.471 1.00 0.00 C ATOM 1401 CD1 LEU A 83 24.239 0.587 -12.874 1.00 0.00 C ATOM 1402 CD2 LEU A 83 25.815 -0.850 -11.561 1.00 0.00 C ATOM 0 H LEU A 83 23.550 1.833 -9.388 1.00 0.00 H new ATOM 0 HA LEU A 83 26.001 0.584 -9.026 1.00 0.00 H new ATOM 0 HB2 LEU A 83 24.901 2.442 -11.160 1.00 0.00 H new ATOM 0 HB3 LEU A 83 26.472 1.676 -11.295 1.00 0.00 H new ATOM 0 HG LEU A 83 23.993 0.030 -10.807 1.00 0.00 H new ATOM 0 HD11 LEU A 83 23.780 -0.320 -13.267 1.00 0.00 H new ATOM 0 HD12 LEU A 83 23.488 1.375 -12.810 1.00 0.00 H new ATOM 0 HD13 LEU A 83 25.043 0.905 -13.538 1.00 0.00 H new ATOM 0 HD21 LEU A 83 25.325 -1.724 -11.991 1.00 0.00 H new ATOM 0 HD22 LEU A 83 26.653 -0.557 -12.193 1.00 0.00 H new ATOM 0 HD23 LEU A 83 26.181 -1.093 -10.563 1.00 0.00 H new ATOM 1414 N ALA A 84 26.140 3.910 -8.757 1.00 0.00 N ATOM 1415 CA ALA A 84 27.029 4.994 -8.355 1.00 0.00 C ATOM 1416 C ALA A 84 27.562 4.792 -6.940 1.00 0.00 C ATOM 1417 O ALA A 84 28.755 4.990 -6.707 1.00 0.00 O ATOM 1418 CB ALA A 84 26.317 6.346 -8.447 1.00 0.00 C ATOM 0 H ALA A 84 25.183 4.204 -8.952 1.00 0.00 H new ATOM 0 HA ALA A 84 27.873 4.985 -9.044 1.00 0.00 H new ATOM 0 HB1 ALA A 84 27.000 7.139 -8.142 1.00 0.00 H new ATOM 0 HB2 ALA A 84 25.996 6.519 -9.474 1.00 0.00 H new ATOM 0 HB3 ALA A 84 25.447 6.345 -7.790 1.00 0.00 H new ATOM 1424 N SER A 85 26.702 4.375 -6.005 1.00 0.00 N ATOM 1425 CA SER A 85 27.151 4.033 -4.652 1.00 0.00 C ATOM 1426 C SER A 85 28.218 2.930 -4.686 1.00 0.00 C ATOM 1427 O SER A 85 29.254 3.039 -4.025 1.00 0.00 O ATOM 1428 CB SER A 85 25.977 3.619 -3.747 1.00 0.00 C ATOM 1429 OG SER A 85 24.778 3.329 -4.442 1.00 0.00 O ATOM 0 H SER A 85 25.699 4.267 -6.158 1.00 0.00 H new ATOM 0 HA SER A 85 27.597 4.932 -4.226 1.00 0.00 H new ATOM 0 HB2 SER A 85 26.270 2.742 -3.171 1.00 0.00 H new ATOM 0 HB3 SER A 85 25.784 4.420 -3.033 1.00 0.00 H new ATOM 0 HG SER A 85 24.924 2.569 -5.043 1.00 0.00 H new ATOM 1435 N LEU A 86 27.981 1.878 -5.474 1.00 0.00 N ATOM 1436 CA LEU A 86 28.873 0.725 -5.588 1.00 0.00 C ATOM 1437 C LEU A 86 30.193 1.122 -6.255 1.00 0.00 C ATOM 1438 O LEU A 86 31.252 0.653 -5.832 1.00 0.00 O ATOM 1439 CB LEU A 86 28.161 -0.382 -6.394 1.00 0.00 C ATOM 1440 CG LEU A 86 27.207 -1.314 -5.607 1.00 0.00 C ATOM 1441 CD1 LEU A 86 26.497 -0.678 -4.405 1.00 0.00 C ATOM 1442 CD2 LEU A 86 26.136 -1.859 -6.563 1.00 0.00 C ATOM 0 H LEU A 86 27.149 1.804 -6.060 1.00 0.00 H new ATOM 0 HA LEU A 86 29.110 0.351 -4.592 1.00 0.00 H new ATOM 0 HB2 LEU A 86 27.590 0.092 -7.192 1.00 0.00 H new ATOM 0 HB3 LEU A 86 28.923 -0.999 -6.870 1.00 0.00 H new ATOM 0 HG LEU A 86 27.849 -2.094 -5.198 1.00 0.00 H new ATOM 0 HD11 LEU A 86 25.855 -1.419 -3.928 1.00 0.00 H new ATOM 0 HD12 LEU A 86 27.239 -0.326 -3.689 1.00 0.00 H new ATOM 0 HD13 LEU A 86 25.892 0.163 -4.743 1.00 0.00 H new ATOM 0 HD21 LEU A 86 25.460 -2.516 -6.016 1.00 0.00 H new ATOM 0 HD22 LEU A 86 25.571 -1.029 -6.987 1.00 0.00 H new ATOM 0 HD23 LEU A 86 26.616 -2.419 -7.366 1.00 0.00 H new ATOM 1454 N LYS A 87 30.143 2.010 -7.256 1.00 0.00 N ATOM 1455 CA LYS A 87 31.324 2.521 -7.943 1.00 0.00 C ATOM 1456 C LYS A 87 32.171 3.317 -6.972 1.00 0.00 C ATOM 1457 O LYS A 87 33.368 3.055 -6.865 1.00 0.00 O ATOM 1458 CB LYS A 87 30.942 3.387 -9.158 1.00 0.00 C ATOM 1459 CG LYS A 87 30.447 2.549 -10.349 1.00 0.00 C ATOM 1460 CD LYS A 87 29.966 3.401 -11.533 1.00 0.00 C ATOM 1461 CE LYS A 87 31.107 4.213 -12.166 1.00 0.00 C ATOM 1462 NZ LYS A 87 30.662 4.973 -13.361 1.00 0.00 N ATOM 0 H LYS A 87 29.268 2.395 -7.612 1.00 0.00 H new ATOM 0 HA LYS A 87 31.898 1.672 -8.315 1.00 0.00 H new ATOM 0 HB2 LYS A 87 30.164 4.092 -8.866 1.00 0.00 H new ATOM 0 HB3 LYS A 87 31.806 3.975 -9.466 1.00 0.00 H new ATOM 0 HG2 LYS A 87 31.252 1.895 -10.684 1.00 0.00 H new ATOM 0 HG3 LYS A 87 29.631 1.906 -10.018 1.00 0.00 H new ATOM 0 HD2 LYS A 87 29.522 2.753 -12.288 1.00 0.00 H new ATOM 0 HD3 LYS A 87 29.183 4.080 -11.195 1.00 0.00 H new ATOM 0 HE2 LYS A 87 31.510 4.906 -11.427 1.00 0.00 H new ATOM 0 HE3 LYS A 87 31.917 3.540 -12.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 31.465 5.505 -13.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 30.301 4.312 -14.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 29.908 5.636 -13.090 1.00 0.00 H new ATOM 1476 N ASP A 88 31.578 4.259 -6.236 1.00 0.00 N ATOM 1477 CA ASP A 88 32.341 5.087 -5.303 1.00 0.00 C ATOM 1478 C ASP A 88 32.960 4.237 -4.196 1.00 0.00 C ATOM 1479 O ASP A 88 34.106 4.471 -3.817 1.00 0.00 O ATOM 1480 CB ASP A 88 31.473 6.191 -4.694 1.00 0.00 C ATOM 1481 CG ASP A 88 32.351 7.114 -3.829 1.00 0.00 C ATOM 1482 OD1 ASP A 88 33.059 7.973 -4.400 1.00 0.00 O ATOM 1483 OD2 ASP A 88 32.340 6.986 -2.587 1.00 0.00 O ATOM 0 H ASP A 88 30.580 4.466 -6.268 1.00 0.00 H new ATOM 0 HA ASP A 88 33.143 5.558 -5.872 1.00 0.00 H new ATOM 0 HB2 ASP A 88 30.990 6.766 -5.484 1.00 0.00 H new ATOM 0 HB3 ASP A 88 30.680 5.753 -4.088 1.00 0.00 H new ATOM 1488 N SER A 89 32.244 3.201 -3.750 1.00 0.00 N ATOM 1489 CA SER A 89 32.728 2.237 -2.763 1.00 0.00 C ATOM 1490 C SER A 89 33.801 1.276 -3.317 1.00 0.00 C ATOM 1491 O SER A 89 34.376 0.503 -2.546 1.00 0.00 O ATOM 1492 CB SER A 89 31.533 1.436 -2.223 1.00 0.00 C ATOM 1493 OG SER A 89 30.504 2.291 -1.751 1.00 0.00 O ATOM 0 H SER A 89 31.296 3.007 -4.071 1.00 0.00 H new ATOM 0 HA SER A 89 33.211 2.803 -1.966 1.00 0.00 H new ATOM 0 HB2 SER A 89 31.140 0.792 -3.010 1.00 0.00 H new ATOM 0 HB3 SER A 89 31.866 0.785 -1.415 1.00 0.00 H new ATOM 0 HG SER A 89 29.953 2.587 -2.505 1.00 0.00 H new ATOM 1499 N LYS A 90 34.090 1.315 -4.627 1.00 0.00 N ATOM 1500 CA LYS A 90 34.913 0.349 -5.366 1.00 0.00 C ATOM 1501 C LYS A 90 34.520 -1.105 -5.055 1.00 0.00 C ATOM 1502 O LYS A 90 35.386 -1.982 -5.021 1.00 0.00 O ATOM 1503 CB LYS A 90 36.432 0.587 -5.212 1.00 0.00 C ATOM 1504 CG LYS A 90 36.918 2.007 -5.543 1.00 0.00 C ATOM 1505 CD LYS A 90 37.047 2.841 -4.265 1.00 0.00 C ATOM 1506 CE LYS A 90 37.526 4.277 -4.525 1.00 0.00 C ATOM 1507 NZ LYS A 90 36.492 5.106 -5.190 1.00 0.00 N ATOM 0 H LYS A 90 33.737 2.059 -5.229 1.00 0.00 H new ATOM 0 HA LYS A 90 34.694 0.524 -6.419 1.00 0.00 H new ATOM 0 HB2 LYS A 90 36.716 0.355 -4.185 1.00 0.00 H new ATOM 0 HB3 LYS A 90 36.959 -0.117 -5.855 1.00 0.00 H new ATOM 0 HG2 LYS A 90 37.881 1.959 -6.052 1.00 0.00 H new ATOM 0 HG3 LYS A 90 36.219 2.487 -6.228 1.00 0.00 H new ATOM 0 HD2 LYS A 90 36.081 2.873 -3.761 1.00 0.00 H new ATOM 0 HD3 LYS A 90 37.745 2.349 -3.587 1.00 0.00 H new ATOM 0 HE2 LYS A 90 37.806 4.740 -3.579 1.00 0.00 H new ATOM 0 HE3 LYS A 90 38.422 4.252 -5.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 36.744 6.111 -5.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 36.436 4.850 -6.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 35.570 4.939 -4.738 1.00 0.00 H new ATOM 1521 N ASP A 91 33.245 -1.371 -4.752 1.00 0.00 N ATOM 1522 CA ASP A 91 32.820 -2.720 -4.378 1.00 0.00 C ATOM 1523 C ASP A 91 32.646 -3.567 -5.643 1.00 0.00 C ATOM 1524 O ASP A 91 32.521 -3.035 -6.752 1.00 0.00 O ATOM 1525 CB ASP A 91 31.554 -2.698 -3.503 1.00 0.00 C ATOM 1526 CG ASP A 91 31.547 -3.885 -2.520 1.00 0.00 C ATOM 1527 OD1 ASP A 91 31.515 -5.053 -2.972 1.00 0.00 O ATOM 1528 OD2 ASP A 91 31.610 -3.644 -1.294 1.00 0.00 O ATOM 0 H ASP A 91 32.498 -0.677 -4.759 1.00 0.00 H new ATOM 0 HA ASP A 91 33.594 -3.180 -3.763 1.00 0.00 H new ATOM 0 HB2 ASP A 91 31.506 -1.761 -2.949 1.00 0.00 H new ATOM 0 HB3 ASP A 91 30.668 -2.739 -4.136 1.00 0.00 H new ATOM 1533 N PHE A 92 32.612 -4.889 -5.476 1.00 0.00 N ATOM 1534 CA PHE A 92 32.421 -5.866 -6.539 1.00 0.00 C ATOM 1535 C PHE A 92 31.583 -7.034 -6.027 1.00 0.00 C ATOM 1536 O PHE A 92 30.721 -7.514 -6.757 1.00 0.00 O ATOM 1537 CB PHE A 92 33.772 -6.388 -7.053 1.00 0.00 C ATOM 1538 CG PHE A 92 34.523 -5.421 -7.950 1.00 0.00 C ATOM 1539 CD1 PHE A 92 35.375 -4.446 -7.399 1.00 0.00 C ATOM 1540 CD2 PHE A 92 34.353 -5.485 -9.347 1.00 0.00 C ATOM 1541 CE1 PHE A 92 36.031 -3.530 -8.236 1.00 0.00 C ATOM 1542 CE2 PHE A 92 35.029 -4.584 -10.186 1.00 0.00 C ATOM 1543 CZ PHE A 92 35.867 -3.602 -9.631 1.00 0.00 C ATOM 0 H PHE A 92 32.721 -5.322 -4.559 1.00 0.00 H new ATOM 0 HA PHE A 92 31.901 -5.377 -7.363 1.00 0.00 H new ATOM 0 HB2 PHE A 92 34.401 -6.633 -6.197 1.00 0.00 H new ATOM 0 HB3 PHE A 92 33.604 -7.315 -7.601 1.00 0.00 H new ATOM 0 HD1 PHE A 92 35.524 -4.402 -6.330 1.00 0.00 H new ATOM 0 HD2 PHE A 92 33.699 -6.231 -9.775 1.00 0.00 H new ATOM 0 HE1 PHE A 92 36.664 -2.767 -7.807 1.00 0.00 H new ATOM 0 HE2 PHE A 92 34.905 -4.646 -11.257 1.00 0.00 H new ATOM 0 HZ PHE A 92 36.384 -2.905 -10.274 1.00 0.00 H new ATOM 1553 N ASP A 93 31.797 -7.487 -4.788 1.00 0.00 N ATOM 1554 CA ASP A 93 31.040 -8.600 -4.219 1.00 0.00 C ATOM 1555 C ASP A 93 29.600 -8.175 -3.937 1.00 0.00 C ATOM 1556 O ASP A 93 28.662 -8.853 -4.358 1.00 0.00 O ATOM 1557 CB ASP A 93 31.703 -9.094 -2.930 1.00 0.00 C ATOM 1558 CG ASP A 93 30.875 -10.221 -2.295 1.00 0.00 C ATOM 1559 OD1 ASP A 93 30.871 -11.348 -2.840 1.00 0.00 O ATOM 1560 OD2 ASP A 93 30.262 -9.998 -1.227 1.00 0.00 O ATOM 0 H ASP A 93 32.495 -7.094 -4.157 1.00 0.00 H new ATOM 0 HA ASP A 93 31.031 -9.415 -4.943 1.00 0.00 H new ATOM 0 HB2 ASP A 93 32.709 -9.452 -3.146 1.00 0.00 H new ATOM 0 HB3 ASP A 93 31.803 -8.268 -2.226 1.00 0.00 H new ATOM 1565 N GLU A 94 29.411 -7.018 -3.294 1.00 0.00 N ATOM 1566 CA GLU A 94 28.079 -6.462 -3.087 1.00 0.00 C ATOM 1567 C GLU A 94 27.491 -6.050 -4.431 1.00 0.00 C ATOM 1568 O GLU A 94 26.304 -6.255 -4.655 1.00 0.00 O ATOM 1569 CB GLU A 94 28.111 -5.260 -2.132 1.00 0.00 C ATOM 1570 CG GLU A 94 28.353 -5.699 -0.681 1.00 0.00 C ATOM 1571 CD GLU A 94 28.447 -4.535 0.329 1.00 0.00 C ATOM 1572 OE1 GLU A 94 27.997 -3.400 0.051 1.00 0.00 O ATOM 1573 OE2 GLU A 94 28.955 -4.764 1.452 1.00 0.00 O ATOM 0 H GLU A 94 30.167 -6.452 -2.909 1.00 0.00 H new ATOM 0 HA GLU A 94 27.454 -7.228 -2.629 1.00 0.00 H new ATOM 0 HB2 GLU A 94 28.897 -4.570 -2.440 1.00 0.00 H new ATOM 0 HB3 GLU A 94 27.168 -4.718 -2.196 1.00 0.00 H new ATOM 0 HG2 GLU A 94 27.546 -6.365 -0.376 1.00 0.00 H new ATOM 0 HG3 GLU A 94 29.276 -6.277 -0.638 1.00 0.00 H new ATOM 1580 N SER A 95 28.308 -5.527 -5.347 1.00 0.00 N ATOM 1581 CA SER A 95 27.844 -5.107 -6.660 1.00 0.00 C ATOM 1582 C SER A 95 27.255 -6.290 -7.431 1.00 0.00 C ATOM 1583 O SER A 95 26.167 -6.173 -7.998 1.00 0.00 O ATOM 1584 CB SER A 95 29.002 -4.451 -7.420 1.00 0.00 C ATOM 1585 OG SER A 95 29.669 -3.533 -6.577 1.00 0.00 O ATOM 0 H SER A 95 29.307 -5.385 -5.195 1.00 0.00 H new ATOM 0 HA SER A 95 27.046 -4.373 -6.548 1.00 0.00 H new ATOM 0 HB2 SER A 95 29.700 -5.213 -7.767 1.00 0.00 H new ATOM 0 HB3 SER A 95 28.624 -3.938 -8.305 1.00 0.00 H new ATOM 0 HG SER A 95 30.168 -2.890 -7.123 1.00 0.00 H new ATOM 1591 N LEU A 96 27.935 -7.444 -7.405 1.00 0.00 N ATOM 1592 CA LEU A 96 27.481 -8.672 -8.018 1.00 0.00 C ATOM 1593 C LEU A 96 26.142 -9.086 -7.419 1.00 0.00 C ATOM 1594 O LEU A 96 25.163 -9.245 -8.149 1.00 0.00 O ATOM 1595 CB LEU A 96 28.577 -9.733 -7.857 1.00 0.00 C ATOM 1596 CG LEU A 96 28.306 -11.074 -8.556 1.00 0.00 C ATOM 1597 CD1 LEU A 96 27.404 -12.005 -7.742 1.00 0.00 C ATOM 1598 CD2 LEU A 96 27.766 -10.895 -9.977 1.00 0.00 C ATOM 0 H LEU A 96 28.839 -7.538 -6.941 1.00 0.00 H new ATOM 0 HA LEU A 96 27.307 -8.540 -9.086 1.00 0.00 H new ATOM 0 HB2 LEU A 96 29.512 -9.325 -8.241 1.00 0.00 H new ATOM 0 HB3 LEU A 96 28.724 -9.921 -6.793 1.00 0.00 H new ATOM 0 HG LEU A 96 29.279 -11.559 -8.630 1.00 0.00 H new ATOM 0 HD11 LEU A 96 27.251 -12.935 -8.290 1.00 0.00 H new ATOM 0 HD12 LEU A 96 27.876 -12.222 -6.784 1.00 0.00 H new ATOM 0 HD13 LEU A 96 26.442 -11.522 -7.572 1.00 0.00 H new ATOM 0 HD21 LEU A 96 27.592 -11.873 -10.426 1.00 0.00 H new ATOM 0 HD22 LEU A 96 26.829 -10.339 -9.943 1.00 0.00 H new ATOM 0 HD23 LEU A 96 28.492 -10.345 -10.576 1.00 0.00 H new ATOM 1610 N LYS A 97 26.086 -9.231 -6.091 1.00 0.00 N ATOM 1611 CA LYS A 97 24.884 -9.702 -5.412 1.00 0.00 C ATOM 1612 C LYS A 97 23.714 -8.762 -5.680 1.00 0.00 C ATOM 1613 O LYS A 97 22.635 -9.215 -6.061 1.00 0.00 O ATOM 1614 CB LYS A 97 25.162 -9.826 -3.909 1.00 0.00 C ATOM 1615 CG LYS A 97 26.099 -11.008 -3.618 1.00 0.00 C ATOM 1616 CD LYS A 97 26.553 -10.959 -2.157 1.00 0.00 C ATOM 1617 CE LYS A 97 27.527 -12.091 -1.800 1.00 0.00 C ATOM 1618 NZ LYS A 97 26.889 -13.432 -1.792 1.00 0.00 N ATOM 0 H LYS A 97 26.866 -9.027 -5.466 1.00 0.00 H new ATOM 0 HA LYS A 97 24.612 -10.684 -5.799 1.00 0.00 H new ATOM 0 HB2 LYS A 97 25.610 -8.903 -3.541 1.00 0.00 H new ATOM 0 HB3 LYS A 97 24.223 -9.961 -3.372 1.00 0.00 H new ATOM 0 HG2 LYS A 97 25.586 -11.949 -3.818 1.00 0.00 H new ATOM 0 HG3 LYS A 97 26.965 -10.970 -4.279 1.00 0.00 H new ATOM 0 HD2 LYS A 97 27.031 -9.999 -1.962 1.00 0.00 H new ATOM 0 HD3 LYS A 97 25.680 -11.018 -1.507 1.00 0.00 H new ATOM 0 HE2 LYS A 97 28.350 -12.092 -2.514 1.00 0.00 H new ATOM 0 HE3 LYS A 97 27.957 -11.895 -0.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 27.597 -14.152 -1.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 26.121 -13.447 -1.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 26.501 -13.638 -2.735 1.00 0.00 H new ATOM 1632 N TYR A 98 23.922 -7.460 -5.484 1.00 0.00 N ATOM 1633 CA TYR A 98 22.849 -6.486 -5.497 1.00 0.00 C ATOM 1634 C TYR A 98 22.272 -6.328 -6.895 1.00 0.00 C ATOM 1635 O TYR A 98 21.048 -6.261 -7.008 1.00 0.00 O ATOM 1636 CB TYR A 98 23.309 -5.138 -4.921 1.00 0.00 C ATOM 1637 CG TYR A 98 23.717 -5.082 -3.448 1.00 0.00 C ATOM 1638 CD1 TYR A 98 23.624 -6.194 -2.578 1.00 0.00 C ATOM 1639 CD2 TYR A 98 24.198 -3.859 -2.941 1.00 0.00 C ATOM 1640 CE1 TYR A 98 24.025 -6.084 -1.235 1.00 0.00 C ATOM 1641 CE2 TYR A 98 24.592 -3.737 -1.597 1.00 0.00 C ATOM 1642 CZ TYR A 98 24.513 -4.857 -0.736 1.00 0.00 C ATOM 1643 OH TYR A 98 24.898 -4.767 0.568 1.00 0.00 O ATOM 0 H TYR A 98 24.844 -7.058 -5.312 1.00 0.00 H new ATOM 0 HA TYR A 98 22.053 -6.859 -4.852 1.00 0.00 H new ATOM 0 HB2 TYR A 98 24.156 -4.794 -5.514 1.00 0.00 H new ATOM 0 HB3 TYR A 98 22.503 -4.420 -5.071 1.00 0.00 H new ATOM 0 HD1 TYR A 98 23.242 -7.134 -2.948 1.00 0.00 H new ATOM 0 HD2 TYR A 98 24.265 -3.002 -3.595 1.00 0.00 H new ATOM 0 HE1 TYR A 98 23.959 -6.942 -0.582 1.00 0.00 H new ATOM 0 HE2 TYR A 98 24.954 -2.791 -1.223 1.00 0.00 H new ATOM 0 HH TYR A 98 25.211 -3.857 0.755 1.00 0.00 H new ATOM 1653 N LEU A 99 23.083 -6.287 -7.962 1.00 0.00 N ATOM 1654 CA LEU A 99 22.523 -5.995 -9.279 1.00 0.00 C ATOM 1655 C LEU A 99 22.002 -7.266 -9.927 1.00 0.00 C ATOM 1656 O LEU A 99 21.061 -7.169 -10.708 1.00 0.00 O ATOM 1657 CB LEU A 99 23.487 -5.205 -10.184 1.00 0.00 C ATOM 1658 CG LEU A 99 23.462 -3.679 -9.985 1.00 0.00 C ATOM 1659 CD1 LEU A 99 22.110 -3.026 -10.307 1.00 0.00 C ATOM 1660 CD2 LEU A 99 23.888 -3.298 -8.566 1.00 0.00 C ATOM 0 H LEU A 99 24.090 -6.446 -7.939 1.00 0.00 H new ATOM 0 HA LEU A 99 21.674 -5.327 -9.136 1.00 0.00 H new ATOM 0 HB2 LEU A 99 24.502 -5.563 -10.008 1.00 0.00 H new ATOM 0 HB3 LEU A 99 23.247 -5.425 -11.224 1.00 0.00 H new ATOM 0 HG LEU A 99 24.180 -3.290 -10.707 1.00 0.00 H new ATOM 0 HD11 LEU A 99 22.177 -1.951 -10.141 1.00 0.00 H new ATOM 0 HD12 LEU A 99 21.852 -3.217 -11.349 1.00 0.00 H new ATOM 0 HD13 LEU A 99 21.340 -3.446 -9.660 1.00 0.00 H new ATOM 0 HD21 LEU A 99 23.860 -2.214 -8.456 1.00 0.00 H new ATOM 0 HD22 LEU A 99 23.207 -3.753 -7.847 1.00 0.00 H new ATOM 0 HD23 LEU A 99 24.901 -3.655 -8.382 1.00 0.00 H new ATOM 1672 N ASP A 100 22.517 -8.450 -9.576 1.00 0.00 N ATOM 1673 CA ASP A 100 21.902 -9.705 -10.001 1.00 0.00 C ATOM 1674 C ASP A 100 20.522 -9.855 -9.354 1.00 0.00 C ATOM 1675 O ASP A 100 19.556 -10.190 -10.038 1.00 0.00 O ATOM 1676 CB ASP A 100 22.784 -10.900 -9.632 1.00 0.00 C ATOM 1677 CG ASP A 100 22.090 -12.216 -10.018 1.00 0.00 C ATOM 1678 OD1 ASP A 100 22.010 -12.528 -11.227 1.00 0.00 O ATOM 1679 OD2 ASP A 100 21.651 -12.962 -9.114 1.00 0.00 O ATOM 0 H ASP A 100 23.353 -8.562 -9.002 1.00 0.00 H new ATOM 0 HA ASP A 100 21.793 -9.683 -11.085 1.00 0.00 H new ATOM 0 HB2 ASP A 100 23.744 -10.824 -10.143 1.00 0.00 H new ATOM 0 HB3 ASP A 100 22.991 -10.891 -8.562 1.00 0.00 H new ATOM 1684 N ASP A 101 20.404 -9.550 -8.057 1.00 0.00 N ATOM 1685 CA ASP A 101 19.126 -9.613 -7.348 1.00 0.00 C ATOM 1686 C ASP A 101 18.146 -8.567 -7.882 1.00 0.00 C ATOM 1687 O ASP A 101 16.983 -8.882 -8.134 1.00 0.00 O ATOM 1688 CB ASP A 101 19.329 -9.411 -5.844 1.00 0.00 C ATOM 1689 CG ASP A 101 17.980 -9.445 -5.108 1.00 0.00 C ATOM 1690 OD1 ASP A 101 17.421 -10.550 -4.921 1.00 0.00 O ATOM 1691 OD2 ASP A 101 17.493 -8.378 -4.676 1.00 0.00 O ATOM 0 H ASP A 101 21.187 -9.255 -7.474 1.00 0.00 H new ATOM 0 HA ASP A 101 18.704 -10.603 -7.519 1.00 0.00 H new ATOM 0 HB2 ASP A 101 19.983 -10.190 -5.452 1.00 0.00 H new ATOM 0 HB3 ASP A 101 19.824 -8.457 -5.663 1.00 0.00 H new ATOM 1696 N LEU A 102 18.608 -7.335 -8.114 1.00 0.00 N ATOM 1697 CA LEU A 102 17.770 -6.276 -8.664 1.00 0.00 C ATOM 1698 C LEU A 102 17.306 -6.655 -10.072 1.00 0.00 C ATOM 1699 O LEU A 102 16.112 -6.575 -10.367 1.00 0.00 O ATOM 1700 CB LEU A 102 18.522 -4.932 -8.619 1.00 0.00 C ATOM 1701 CG LEU A 102 17.706 -3.702 -9.067 1.00 0.00 C ATOM 1702 CD1 LEU A 102 17.604 -3.586 -10.588 1.00 0.00 C ATOM 1703 CD2 LEU A 102 16.293 -3.626 -8.468 1.00 0.00 C ATOM 0 H LEU A 102 19.569 -7.049 -7.926 1.00 0.00 H new ATOM 0 HA LEU A 102 16.873 -6.156 -8.057 1.00 0.00 H new ATOM 0 HB2 LEU A 102 18.871 -4.764 -7.600 1.00 0.00 H new ATOM 0 HB3 LEU A 102 19.407 -5.009 -9.250 1.00 0.00 H new ATOM 0 HG LEU A 102 18.278 -2.862 -8.674 1.00 0.00 H new ATOM 0 HD11 LEU A 102 17.019 -2.703 -10.847 1.00 0.00 H new ATOM 0 HD12 LEU A 102 18.603 -3.497 -11.014 1.00 0.00 H new ATOM 0 HD13 LEU A 102 17.116 -4.475 -10.989 1.00 0.00 H new ATOM 0 HD21 LEU A 102 15.790 -2.732 -8.835 1.00 0.00 H new ATOM 0 HD22 LEU A 102 15.725 -4.509 -8.762 1.00 0.00 H new ATOM 0 HD23 LEU A 102 16.360 -3.584 -7.381 1.00 0.00 H new ATOM 1715 N LYS A 103 18.212 -7.138 -10.931 1.00 0.00 N ATOM 1716 CA LYS A 103 17.848 -7.636 -12.255 1.00 0.00 C ATOM 1717 C LYS A 103 16.788 -8.733 -12.118 1.00 0.00 C ATOM 1718 O LYS A 103 15.845 -8.751 -12.902 1.00 0.00 O ATOM 1719 CB LYS A 103 19.111 -8.159 -12.966 1.00 0.00 C ATOM 1720 CG LYS A 103 18.841 -9.051 -14.186 1.00 0.00 C ATOM 1721 CD LYS A 103 20.150 -9.386 -14.919 1.00 0.00 C ATOM 1722 CE LYS A 103 19.971 -10.489 -15.975 1.00 0.00 C ATOM 1723 NZ LYS A 103 19.687 -11.823 -15.386 1.00 0.00 N ATOM 0 H LYS A 103 19.210 -7.193 -10.726 1.00 0.00 H new ATOM 0 HA LYS A 103 17.424 -6.832 -12.856 1.00 0.00 H new ATOM 0 HB2 LYS A 103 19.712 -7.306 -13.283 1.00 0.00 H new ATOM 0 HB3 LYS A 103 19.709 -8.721 -12.248 1.00 0.00 H new ATOM 0 HG2 LYS A 103 18.352 -9.971 -13.868 1.00 0.00 H new ATOM 0 HG3 LYS A 103 18.157 -8.545 -14.867 1.00 0.00 H new ATOM 0 HD2 LYS A 103 20.533 -8.486 -15.400 1.00 0.00 H new ATOM 0 HD3 LYS A 103 20.898 -9.702 -14.192 1.00 0.00 H new ATOM 0 HE2 LYS A 103 19.156 -10.213 -16.644 1.00 0.00 H new ATOM 0 HE3 LYS A 103 20.874 -10.552 -16.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 19.908 -12.564 -16.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 20.272 -11.959 -14.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 18.682 -11.881 -15.127 1.00 0.00 H new ATOM 1737 N ALA A 104 16.906 -9.630 -11.134 1.00 0.00 N ATOM 1738 CA ALA A 104 15.926 -10.688 -10.931 1.00 0.00 C ATOM 1739 C ALA A 104 14.552 -10.115 -10.563 1.00 0.00 C ATOM 1740 O ALA A 104 13.548 -10.621 -11.056 1.00 0.00 O ATOM 1741 CB ALA A 104 16.406 -11.702 -9.887 1.00 0.00 C ATOM 0 H ALA A 104 17.676 -9.639 -10.466 1.00 0.00 H new ATOM 0 HA ALA A 104 15.817 -11.218 -11.877 1.00 0.00 H new ATOM 0 HB1 ALA A 104 15.651 -12.478 -9.760 1.00 0.00 H new ATOM 0 HB2 ALA A 104 17.339 -12.155 -10.222 1.00 0.00 H new ATOM 0 HB3 ALA A 104 16.569 -11.195 -8.936 1.00 0.00 H new ATOM 1747 N GLN A 105 14.468 -9.033 -9.779 1.00 0.00 N ATOM 1748 CA GLN A 105 13.192 -8.348 -9.559 1.00 0.00 C ATOM 1749 C GLN A 105 12.652 -7.804 -10.888 1.00 0.00 C ATOM 1750 O GLN A 105 11.474 -7.974 -11.194 1.00 0.00 O ATOM 1751 CB GLN A 105 13.320 -7.225 -8.514 1.00 0.00 C ATOM 1752 CG GLN A 105 13.689 -7.720 -7.106 1.00 0.00 C ATOM 1753 CD GLN A 105 12.642 -8.674 -6.524 1.00 0.00 C ATOM 1754 OE1 GLN A 105 12.841 -9.884 -6.460 1.00 0.00 O ATOM 1755 NE2 GLN A 105 11.495 -8.160 -6.103 1.00 0.00 N ATOM 0 H GLN A 105 15.262 -8.617 -9.291 1.00 0.00 H new ATOM 0 HA GLN A 105 12.483 -9.074 -9.161 1.00 0.00 H new ATOM 0 HB2 GLN A 105 14.077 -6.516 -8.849 1.00 0.00 H new ATOM 0 HB3 GLN A 105 12.376 -6.682 -8.461 1.00 0.00 H new ATOM 0 HG2 GLN A 105 14.654 -8.225 -7.144 1.00 0.00 H new ATOM 0 HG3 GLN A 105 13.803 -6.863 -6.442 1.00 0.00 H new ATOM 0 HE21 GLN A 105 11.336 -7.154 -6.159 1.00 0.00 H new ATOM 0 HE22 GLN A 105 10.771 -8.770 -5.723 1.00 0.00 H new ATOM 1764 N PHE A 106 13.509 -7.229 -11.733 1.00 0.00 N ATOM 1765 CA PHE A 106 13.123 -6.792 -13.074 1.00 0.00 C ATOM 1766 C PHE A 106 12.784 -7.974 -14.008 1.00 0.00 C ATOM 1767 O PHE A 106 12.158 -7.753 -15.044 1.00 0.00 O ATOM 1768 CB PHE A 106 14.195 -5.857 -13.651 1.00 0.00 C ATOM 1769 CG PHE A 106 14.389 -4.489 -12.997 1.00 0.00 C ATOM 1770 CD1 PHE A 106 13.638 -4.054 -11.880 1.00 0.00 C ATOM 1771 CD2 PHE A 106 15.364 -3.627 -13.538 1.00 0.00 C ATOM 1772 CE1 PHE A 106 13.865 -2.784 -11.320 1.00 0.00 C ATOM 1773 CE2 PHE A 106 15.586 -2.356 -12.979 1.00 0.00 C ATOM 1774 CZ PHE A 106 14.831 -1.930 -11.875 1.00 0.00 C ATOM 0 H PHE A 106 14.488 -7.054 -11.507 1.00 0.00 H new ATOM 0 HA PHE A 106 12.196 -6.224 -12.995 1.00 0.00 H new ATOM 0 HB2 PHE A 106 15.149 -6.382 -13.614 1.00 0.00 H new ATOM 0 HB3 PHE A 106 13.962 -5.693 -14.703 1.00 0.00 H new ATOM 0 HD1 PHE A 106 12.885 -4.701 -11.454 1.00 0.00 H new ATOM 0 HD2 PHE A 106 15.946 -3.946 -14.390 1.00 0.00 H new ATOM 0 HE1 PHE A 106 13.294 -2.465 -10.460 1.00 0.00 H new ATOM 0 HE2 PHE A 106 16.339 -1.706 -13.400 1.00 0.00 H new ATOM 0 HZ PHE A 106 14.993 -0.949 -11.454 1.00 0.00 H new ATOM 1784 N GLN A 107 13.116 -9.219 -13.642 1.00 0.00 N ATOM 1785 CA GLN A 107 12.653 -10.415 -14.343 1.00 0.00 C ATOM 1786 C GLN A 107 11.312 -10.898 -13.773 1.00 0.00 C ATOM 1787 O GLN A 107 10.549 -11.522 -14.504 1.00 0.00 O ATOM 1788 CB GLN A 107 13.703 -11.536 -14.294 1.00 0.00 C ATOM 1789 CG GLN A 107 14.906 -11.238 -15.198 1.00 0.00 C ATOM 1790 CD GLN A 107 15.968 -12.331 -15.103 1.00 0.00 C ATOM 1791 OE1 GLN A 107 17.030 -12.136 -14.520 1.00 0.00 O ATOM 1792 NE2 GLN A 107 15.720 -13.500 -15.670 1.00 0.00 N ATOM 0 H GLN A 107 13.718 -9.422 -12.844 1.00 0.00 H new ATOM 0 HA GLN A 107 12.503 -10.147 -15.389 1.00 0.00 H new ATOM 0 HB2 GLN A 107 14.045 -11.667 -13.267 1.00 0.00 H new ATOM 0 HB3 GLN A 107 13.244 -12.476 -14.600 1.00 0.00 H new ATOM 0 HG2 GLN A 107 14.571 -11.145 -16.231 1.00 0.00 H new ATOM 0 HG3 GLN A 107 15.344 -10.280 -14.917 1.00 0.00 H new ATOM 0 HE21 GLN A 107 14.835 -13.655 -16.153 1.00 0.00 H new ATOM 0 HE22 GLN A 107 16.414 -14.246 -15.624 1.00 0.00 H new ATOM 1801 N GLU A 108 10.955 -10.596 -12.519 1.00 0.00 N ATOM 1802 CA GLU A 108 9.595 -10.848 -12.034 1.00 0.00 C ATOM 1803 C GLU A 108 8.628 -9.895 -12.756 1.00 0.00 C ATOM 1804 O GLU A 108 7.487 -10.259 -13.041 1.00 0.00 O ATOM 1805 CB GLU A 108 9.499 -10.670 -10.508 1.00 0.00 C ATOM 1806 CG GLU A 108 10.287 -11.717 -9.706 1.00 0.00 C ATOM 1807 CD GLU A 108 9.723 -13.140 -9.876 1.00 0.00 C ATOM 1808 OE1 GLU A 108 8.697 -13.472 -9.238 1.00 0.00 O ATOM 1809 OE2 GLU A 108 10.306 -13.951 -10.629 1.00 0.00 O ATOM 0 H GLU A 108 11.582 -10.181 -11.829 1.00 0.00 H new ATOM 0 HA GLU A 108 9.325 -11.882 -12.251 1.00 0.00 H new ATOM 0 HB2 GLU A 108 9.863 -9.677 -10.245 1.00 0.00 H new ATOM 0 HB3 GLU A 108 8.451 -10.714 -10.213 1.00 0.00 H new ATOM 0 HG2 GLU A 108 11.330 -11.703 -10.023 1.00 0.00 H new ATOM 0 HG3 GLU A 108 10.271 -11.448 -8.650 1.00 0.00 H new ATOM 1816 N LEU A 109 9.110 -8.701 -13.127 1.00 0.00 N ATOM 1817 CA LEU A 109 8.406 -7.736 -13.974 1.00 0.00 C ATOM 1818 C LEU A 109 8.380 -8.160 -15.453 1.00 0.00 C ATOM 1819 O LEU A 109 7.981 -7.357 -16.297 1.00 0.00 O ATOM 1820 CB LEU A 109 9.021 -6.329 -13.810 1.00 0.00 C ATOM 1821 CG LEU A 109 8.906 -5.720 -12.396 1.00 0.00 C ATOM 1822 CD1 LEU A 109 9.617 -4.362 -12.351 1.00 0.00 C ATOM 1823 CD2 LEU A 109 7.447 -5.533 -11.958 1.00 0.00 C ATOM 0 H LEU A 109 10.030 -8.372 -12.835 1.00 0.00 H new ATOM 0 HA LEU A 109 7.368 -7.708 -13.641 1.00 0.00 H new ATOM 0 HB2 LEU A 109 10.075 -6.377 -14.082 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.539 -5.655 -14.518 1.00 0.00 H new ATOM 0 HG LEU A 109 9.378 -6.421 -11.708 1.00 0.00 H new ATOM 0 HD11 LEU A 109 9.531 -3.939 -11.350 1.00 0.00 H new ATOM 0 HD12 LEU A 109 10.670 -4.494 -12.600 1.00 0.00 H new ATOM 0 HD13 LEU A 109 9.156 -3.686 -13.071 1.00 0.00 H new ATOM 0 HD21 LEU A 109 7.420 -5.102 -10.957 1.00 0.00 H new ATOM 0 HD22 LEU A 109 6.941 -4.865 -12.655 1.00 0.00 H new ATOM 0 HD23 LEU A 109 6.943 -6.499 -11.951 1.00 0.00 H new ATOM 1835 N ASP A 110 8.755 -9.396 -15.812 1.00 0.00 N ATOM 1836 CA ASP A 110 8.670 -9.892 -17.192 1.00 0.00 C ATOM 1837 C ASP A 110 7.264 -9.731 -17.783 1.00 0.00 C ATOM 1838 O ASP A 110 7.104 -9.446 -18.971 1.00 0.00 O ATOM 1839 CB ASP A 110 9.134 -11.348 -17.282 1.00 0.00 C ATOM 1840 CG ASP A 110 9.072 -11.895 -18.715 1.00 0.00 C ATOM 1841 OD1 ASP A 110 9.585 -11.222 -19.636 1.00 0.00 O ATOM 1842 OD2 ASP A 110 8.582 -13.032 -18.898 1.00 0.00 O ATOM 0 H ASP A 110 9.126 -10.080 -15.153 1.00 0.00 H new ATOM 0 HA ASP A 110 9.342 -9.277 -17.791 1.00 0.00 H new ATOM 0 HB2 ASP A 110 10.156 -11.424 -16.911 1.00 0.00 H new ATOM 0 HB3 ASP A 110 8.512 -11.965 -16.633 1.00 0.00 H new ATOM 2059 N GLY A 125 17.111 -3.012 -20.867 1.00 0.00 N ATOM 2060 CA GLY A 125 17.451 -2.510 -19.542 1.00 0.00 C ATOM 2061 C GLY A 125 18.170 -3.579 -18.723 1.00 0.00 C ATOM 2062 O GLY A 125 19.284 -3.354 -18.250 1.00 0.00 O ATOM 0 HA2 GLY A 125 18.086 -1.629 -19.634 1.00 0.00 H new ATOM 0 HA3 GLY A 125 16.545 -2.197 -19.024 1.00 0.00 H new ATOM 2066 N ILE A 126 17.579 -4.770 -18.597 1.00 0.00 N ATOM 2067 CA ILE A 126 18.238 -5.875 -17.906 1.00 0.00 C ATOM 2068 C ILE A 126 19.394 -6.475 -18.713 1.00 0.00 C ATOM 2069 O ILE A 126 20.288 -7.051 -18.100 1.00 0.00 O ATOM 2070 CB ILE A 126 17.247 -6.918 -17.341 1.00 0.00 C ATOM 2071 CG1 ILE A 126 16.125 -7.351 -18.311 1.00 0.00 C ATOM 2072 CG2 ILE A 126 16.671 -6.366 -16.026 1.00 0.00 C ATOM 2073 CD1 ILE A 126 15.129 -8.333 -17.674 1.00 0.00 C ATOM 0 H ILE A 126 16.652 -4.990 -18.962 1.00 0.00 H new ATOM 0 HA ILE A 126 18.709 -5.444 -17.023 1.00 0.00 H new ATOM 0 HB ILE A 126 17.808 -7.837 -17.172 1.00 0.00 H new ATOM 0 HG12 ILE A 126 15.587 -6.467 -18.654 1.00 0.00 H new ATOM 0 HG13 ILE A 126 16.571 -7.814 -19.191 1.00 0.00 H new ATOM 0 HG21 ILE A 126 15.967 -7.085 -15.607 1.00 0.00 H new ATOM 0 HG22 ILE A 126 17.481 -6.195 -15.317 1.00 0.00 H new ATOM 0 HG23 ILE A 126 16.156 -5.426 -16.221 1.00 0.00 H new ATOM 0 HD11 ILE A 126 14.365 -8.600 -18.404 1.00 0.00 H new ATOM 0 HD12 ILE A 126 15.657 -9.232 -17.356 1.00 0.00 H new ATOM 0 HD13 ILE A 126 14.658 -7.864 -16.810 1.00 0.00 H new ATOM 2085 N LEU A 127 19.461 -6.292 -20.035 1.00 0.00 N ATOM 2086 CA LEU A 127 20.637 -6.647 -20.833 1.00 0.00 C ATOM 2087 C LEU A 127 21.825 -5.774 -20.407 1.00 0.00 C ATOM 2088 O LEU A 127 22.924 -6.286 -20.186 1.00 0.00 O ATOM 2089 CB LEU A 127 20.309 -6.474 -22.331 1.00 0.00 C ATOM 2090 CG LEU A 127 21.099 -7.375 -23.299 1.00 0.00 C ATOM 2091 CD1 LEU A 127 20.616 -7.104 -24.730 1.00 0.00 C ATOM 2092 CD2 LEU A 127 22.618 -7.190 -23.246 1.00 0.00 C ATOM 0 H LEU A 127 18.699 -5.892 -20.583 1.00 0.00 H new ATOM 0 HA LEU A 127 20.909 -7.689 -20.666 1.00 0.00 H new ATOM 0 HB2 LEU A 127 19.245 -6.663 -22.475 1.00 0.00 H new ATOM 0 HB3 LEU A 127 20.488 -5.434 -22.605 1.00 0.00 H new ATOM 0 HG LEU A 127 20.908 -8.401 -22.985 1.00 0.00 H new ATOM 0 HD11 LEU A 127 21.168 -7.736 -25.426 1.00 0.00 H new ATOM 0 HD12 LEU A 127 19.552 -7.327 -24.803 1.00 0.00 H new ATOM 0 HD13 LEU A 127 20.785 -6.056 -24.979 1.00 0.00 H new ATOM 0 HD21 LEU A 127 23.092 -7.864 -23.960 1.00 0.00 H new ATOM 0 HD22 LEU A 127 22.868 -6.160 -23.499 1.00 0.00 H new ATOM 0 HD23 LEU A 127 22.977 -7.415 -22.242 1.00 0.00 H new ATOM 2104 N LEU A 128 21.611 -4.465 -20.229 1.00 0.00 N ATOM 2105 CA LEU A 128 22.636 -3.574 -19.692 1.00 0.00 C ATOM 2106 C LEU A 128 23.037 -4.042 -18.298 1.00 0.00 C ATOM 2107 O LEU A 128 24.227 -4.186 -18.037 1.00 0.00 O ATOM 2108 CB LEU A 128 22.158 -2.108 -19.706 1.00 0.00 C ATOM 2109 CG LEU A 128 23.111 -1.044 -19.106 1.00 0.00 C ATOM 2110 CD1 LEU A 128 23.090 -0.977 -17.571 1.00 0.00 C ATOM 2111 CD2 LEU A 128 24.560 -1.167 -19.599 1.00 0.00 C ATOM 0 H LEU A 128 20.730 -4.001 -20.452 1.00 0.00 H new ATOM 0 HA LEU A 128 23.521 -3.614 -20.327 1.00 0.00 H new ATOM 0 HB2 LEU A 128 21.951 -1.831 -20.740 1.00 0.00 H new ATOM 0 HB3 LEU A 128 21.212 -2.056 -19.166 1.00 0.00 H new ATOM 0 HG LEU A 128 22.703 -0.106 -19.483 1.00 0.00 H new ATOM 0 HD11 LEU A 128 23.784 -0.208 -17.231 1.00 0.00 H new ATOM 0 HD12 LEU A 128 22.083 -0.734 -17.231 1.00 0.00 H new ATOM 0 HD13 LEU A 128 23.388 -1.942 -17.161 1.00 0.00 H new ATOM 0 HD21 LEU A 128 25.169 -0.390 -19.137 1.00 0.00 H new ATOM 0 HD22 LEU A 128 24.955 -2.146 -19.328 1.00 0.00 H new ATOM 0 HD23 LEU A 128 24.587 -1.052 -20.683 1.00 0.00 H new ATOM 2123 N ILE A 129 22.080 -4.326 -17.411 1.00 0.00 N ATOM 2124 CA ILE A 129 22.404 -4.730 -16.042 1.00 0.00 C ATOM 2125 C ILE A 129 23.189 -6.053 -16.067 1.00 0.00 C ATOM 2126 O ILE A 129 24.156 -6.201 -15.323 1.00 0.00 O ATOM 2127 CB ILE A 129 21.131 -4.778 -15.165 1.00 0.00 C ATOM 2128 CG1 ILE A 129 20.462 -3.383 -15.079 1.00 0.00 C ATOM 2129 CG2 ILE A 129 21.481 -5.231 -13.735 1.00 0.00 C ATOM 2130 CD1 ILE A 129 18.973 -3.428 -14.714 1.00 0.00 C ATOM 0 H ILE A 129 21.081 -4.284 -17.615 1.00 0.00 H new ATOM 0 HA ILE A 129 23.050 -3.986 -15.577 1.00 0.00 H new ATOM 0 HB ILE A 129 20.444 -5.486 -15.628 1.00 0.00 H new ATOM 0 HG12 ILE A 129 20.990 -2.783 -14.337 1.00 0.00 H new ATOM 0 HG13 ILE A 129 20.576 -2.877 -16.038 1.00 0.00 H new ATOM 0 HG21 ILE A 129 20.575 -5.260 -13.130 1.00 0.00 H new ATOM 0 HG22 ILE A 129 21.927 -6.225 -13.767 1.00 0.00 H new ATOM 0 HG23 ILE A 129 22.189 -4.529 -13.294 1.00 0.00 H new ATOM 0 HD11 ILE A 129 18.577 -2.413 -14.674 1.00 0.00 H new ATOM 0 HD12 ILE A 129 18.431 -3.999 -15.468 1.00 0.00 H new ATOM 0 HD13 ILE A 129 18.851 -3.904 -13.741 1.00 0.00 H new ATOM 2142 N ASP A 130 22.841 -6.992 -16.950 1.00 0.00 N ATOM 2143 CA ASP A 130 23.581 -8.239 -17.135 1.00 0.00 C ATOM 2144 C ASP A 130 25.007 -7.973 -17.614 1.00 0.00 C ATOM 2145 O ASP A 130 25.937 -8.632 -17.159 1.00 0.00 O ATOM 2146 CB ASP A 130 22.872 -9.143 -18.146 1.00 0.00 C ATOM 2147 CG ASP A 130 23.622 -10.474 -18.306 1.00 0.00 C ATOM 2148 OD1 ASP A 130 23.548 -11.320 -17.387 1.00 0.00 O ATOM 2149 OD2 ASP A 130 24.249 -10.699 -19.365 1.00 0.00 O ATOM 0 H ASP A 130 22.029 -6.906 -17.562 1.00 0.00 H new ATOM 0 HA ASP A 130 23.622 -8.738 -16.167 1.00 0.00 H new ATOM 0 HB2 ASP A 130 21.850 -9.333 -17.817 1.00 0.00 H new ATOM 0 HB3 ASP A 130 22.808 -8.638 -19.110 1.00 0.00 H new ATOM 2154 N SER A 131 25.192 -6.990 -18.496 1.00 0.00 N ATOM 2155 CA SER A 131 26.504 -6.602 -19.004 1.00 0.00 C ATOM 2156 C SER A 131 27.347 -5.935 -17.908 1.00 0.00 C ATOM 2157 O SER A 131 28.550 -6.197 -17.814 1.00 0.00 O ATOM 2158 CB SER A 131 26.327 -5.665 -20.208 1.00 0.00 C ATOM 2159 OG SER A 131 25.482 -6.240 -21.193 1.00 0.00 O ATOM 0 H SER A 131 24.426 -6.437 -18.880 1.00 0.00 H new ATOM 0 HA SER A 131 27.038 -7.497 -19.324 1.00 0.00 H new ATOM 0 HB2 SER A 131 25.906 -4.717 -19.874 1.00 0.00 H new ATOM 0 HB3 SER A 131 27.301 -5.445 -20.646 1.00 0.00 H new ATOM 0 HG SER A 131 24.551 -6.197 -20.891 1.00 0.00 H new ATOM 2165 N GLU A 132 26.726 -5.119 -17.048 1.00 0.00 N ATOM 2166 CA GLU A 132 27.397 -4.525 -15.898 1.00 0.00 C ATOM 2167 C GLU A 132 27.842 -5.646 -14.952 1.00 0.00 C ATOM 2168 O GLU A 132 28.995 -5.674 -14.519 1.00 0.00 O ATOM 2169 CB GLU A 132 26.482 -3.526 -15.162 1.00 0.00 C ATOM 2170 CG GLU A 132 26.233 -2.226 -15.937 1.00 0.00 C ATOM 2171 CD GLU A 132 27.518 -1.423 -16.171 1.00 0.00 C ATOM 2172 OE1 GLU A 132 28.081 -0.856 -15.208 1.00 0.00 O ATOM 2173 OE2 GLU A 132 28.016 -1.384 -17.317 1.00 0.00 O ATOM 0 H GLU A 132 25.744 -4.855 -17.134 1.00 0.00 H new ATOM 0 HA GLU A 132 28.266 -3.966 -16.246 1.00 0.00 H new ATOM 0 HB2 GLU A 132 25.525 -4.006 -14.959 1.00 0.00 H new ATOM 0 HB3 GLU A 132 26.927 -3.283 -14.197 1.00 0.00 H new ATOM 0 HG2 GLU A 132 25.777 -2.462 -16.898 1.00 0.00 H new ATOM 0 HG3 GLU A 132 25.520 -1.611 -15.388 1.00 0.00 H new ATOM 2180 N ILE A 133 26.946 -6.599 -14.668 1.00 0.00 N ATOM 2181 CA ILE A 133 27.239 -7.757 -13.836 1.00 0.00 C ATOM 2182 C ILE A 133 28.361 -8.599 -14.451 1.00 0.00 C ATOM 2183 O ILE A 133 29.260 -9.004 -13.714 1.00 0.00 O ATOM 2184 CB ILE A 133 25.930 -8.547 -13.558 1.00 0.00 C ATOM 2185 CG1 ILE A 133 25.075 -7.876 -12.458 1.00 0.00 C ATOM 2186 CG2 ILE A 133 26.160 -10.015 -13.159 1.00 0.00 C ATOM 2187 CD1 ILE A 133 25.822 -7.636 -11.144 1.00 0.00 C ATOM 0 H ILE A 133 25.988 -6.581 -15.017 1.00 0.00 H new ATOM 0 HA ILE A 133 27.619 -7.436 -12.866 1.00 0.00 H new ATOM 0 HB ILE A 133 25.402 -8.533 -14.511 1.00 0.00 H new ATOM 0 HG12 ILE A 133 24.705 -6.922 -12.832 1.00 0.00 H new ATOM 0 HG13 ILE A 133 24.204 -8.500 -12.259 1.00 0.00 H new ATOM 0 HG21 ILE A 133 25.199 -10.499 -12.982 1.00 0.00 H new ATOM 0 HG22 ILE A 133 26.684 -10.533 -13.962 1.00 0.00 H new ATOM 0 HG23 ILE A 133 26.760 -10.055 -12.250 1.00 0.00 H new ATOM 0 HD11 ILE A 133 25.152 -7.163 -10.426 1.00 0.00 H new ATOM 0 HD12 ILE A 133 26.169 -8.589 -10.743 1.00 0.00 H new ATOM 0 HD13 ILE A 133 26.678 -6.986 -11.325 1.00 0.00 H new ATOM 2199 N ALA A 134 28.366 -8.827 -15.767 1.00 0.00 N ATOM 2200 CA ALA A 134 29.413 -9.597 -16.424 1.00 0.00 C ATOM 2201 C ALA A 134 30.776 -8.939 -16.203 1.00 0.00 C ATOM 2202 O ALA A 134 31.706 -9.610 -15.753 1.00 0.00 O ATOM 2203 CB ALA A 134 29.102 -9.751 -17.918 1.00 0.00 C ATOM 0 H ALA A 134 27.645 -8.482 -16.401 1.00 0.00 H new ATOM 0 HA ALA A 134 29.449 -10.594 -15.985 1.00 0.00 H new ATOM 0 HB1 ALA A 134 29.893 -10.329 -18.397 1.00 0.00 H new ATOM 0 HB2 ALA A 134 28.150 -10.268 -18.040 1.00 0.00 H new ATOM 0 HB3 ALA A 134 29.042 -8.766 -18.380 1.00 0.00 H new ATOM 2209 N ARG A 135 30.897 -7.629 -16.455 1.00 0.00 N ATOM 2210 CA ARG A 135 32.154 -6.915 -16.223 1.00 0.00 C ATOM 2211 C ARG A 135 32.550 -7.002 -14.750 1.00 0.00 C ATOM 2212 O ARG A 135 33.706 -7.294 -14.452 1.00 0.00 O ATOM 2213 CB ARG A 135 32.038 -5.454 -16.691 1.00 0.00 C ATOM 2214 CG ARG A 135 33.410 -4.750 -16.675 1.00 0.00 C ATOM 2215 CD ARG A 135 33.334 -3.276 -17.096 1.00 0.00 C ATOM 2216 NE ARG A 135 32.605 -2.462 -16.105 1.00 0.00 N ATOM 2217 CZ ARG A 135 31.344 -2.019 -16.202 1.00 0.00 C ATOM 2218 NH1 ARG A 135 30.623 -2.239 -17.297 1.00 0.00 N ATOM 2219 NH2 ARG A 135 30.797 -1.359 -15.189 1.00 0.00 N ATOM 0 H ARG A 135 30.142 -7.047 -16.818 1.00 0.00 H new ATOM 0 HA ARG A 135 32.942 -7.388 -16.809 1.00 0.00 H new ATOM 0 HB2 ARG A 135 31.623 -5.424 -17.699 1.00 0.00 H new ATOM 0 HB3 ARG A 135 31.344 -4.917 -16.045 1.00 0.00 H new ATOM 0 HG2 ARG A 135 33.833 -4.814 -15.673 1.00 0.00 H new ATOM 0 HG3 ARG A 135 34.091 -5.278 -17.343 1.00 0.00 H new ATOM 0 HD2 ARG A 135 34.342 -2.881 -17.221 1.00 0.00 H new ATOM 0 HD3 ARG A 135 32.840 -3.199 -18.064 1.00 0.00 H new ATOM 0 HE ARG A 135 33.114 -2.210 -15.258 1.00 0.00 H new ATOM 0 HH11 ARG A 135 31.028 -2.752 -18.080 1.00 0.00 H new ATOM 0 HH12 ARG A 135 29.665 -1.895 -17.354 1.00 0.00 H new ATOM 0 HH21 ARG A 135 31.336 -1.190 -14.340 1.00 0.00 H new ATOM 0 HH22 ARG A 135 29.837 -1.020 -15.260 1.00 0.00 H new ATOM 2233 N THR A 136 31.599 -6.792 -13.838 1.00 0.00 N ATOM 2234 CA THR A 136 31.837 -6.842 -12.400 1.00 0.00 C ATOM 2235 C THR A 136 32.407 -8.211 -12.007 1.00 0.00 C ATOM 2236 O THR A 136 33.441 -8.275 -11.344 1.00 0.00 O ATOM 2237 CB THR A 136 30.518 -6.520 -11.665 1.00 0.00 C ATOM 2238 OG1 THR A 136 30.023 -5.260 -12.074 1.00 0.00 O ATOM 2239 CG2 THR A 136 30.663 -6.473 -10.141 1.00 0.00 C ATOM 0 H THR A 136 30.632 -6.580 -14.083 1.00 0.00 H new ATOM 0 HA THR A 136 32.578 -6.097 -12.109 1.00 0.00 H new ATOM 0 HB THR A 136 29.837 -7.330 -11.926 1.00 0.00 H new ATOM 0 HG1 THR A 136 29.428 -5.377 -12.844 1.00 0.00 H new ATOM 0 HG21 THR A 136 29.698 -6.242 -9.691 1.00 0.00 H new ATOM 0 HG22 THR A 136 31.010 -7.441 -9.779 1.00 0.00 H new ATOM 0 HG23 THR A 136 31.385 -5.703 -9.868 1.00 0.00 H new ATOM 2247 N TYR A 137 31.769 -9.302 -12.437 1.00 0.00 N ATOM 2248 CA TYR A 137 32.146 -10.655 -12.049 1.00 0.00 C ATOM 2249 C TYR A 137 33.444 -11.100 -12.728 1.00 0.00 C ATOM 2250 O TYR A 137 34.177 -11.916 -12.167 1.00 0.00 O ATOM 2251 CB TYR A 137 30.983 -11.599 -12.397 1.00 0.00 C ATOM 2252 CG TYR A 137 31.105 -13.021 -11.874 1.00 0.00 C ATOM 2253 CD1 TYR A 137 31.233 -13.258 -10.491 1.00 0.00 C ATOM 2254 CD2 TYR A 137 31.033 -14.112 -12.761 1.00 0.00 C ATOM 2255 CE1 TYR A 137 31.278 -14.573 -9.996 1.00 0.00 C ATOM 2256 CE2 TYR A 137 31.070 -15.431 -12.274 1.00 0.00 C ATOM 2257 CZ TYR A 137 31.182 -15.669 -10.883 1.00 0.00 C ATOM 2258 OH TYR A 137 31.223 -16.940 -10.392 1.00 0.00 O ATOM 0 H TYR A 137 30.970 -9.266 -13.070 1.00 0.00 H new ATOM 0 HA TYR A 137 32.338 -10.682 -10.976 1.00 0.00 H new ATOM 0 HB2 TYR A 137 30.061 -11.167 -12.008 1.00 0.00 H new ATOM 0 HB3 TYR A 137 30.884 -11.638 -13.482 1.00 0.00 H new ATOM 0 HD1 TYR A 137 31.297 -12.425 -9.807 1.00 0.00 H new ATOM 0 HD2 TYR A 137 30.949 -13.935 -13.823 1.00 0.00 H new ATOM 0 HE1 TYR A 137 31.386 -14.746 -8.935 1.00 0.00 H new ATOM 0 HE2 TYR A 137 31.013 -16.262 -12.961 1.00 0.00 H new ATOM 0 HH TYR A 137 31.144 -17.579 -11.131 1.00 0.00 H new ATOM 2268 N LEU A 138 33.744 -10.589 -13.926 1.00 0.00 N ATOM 2269 CA LEU A 138 34.994 -10.880 -14.619 1.00 0.00 C ATOM 2270 C LEU A 138 36.157 -10.184 -13.909 1.00 0.00 C ATOM 2271 O LEU A 138 37.154 -10.830 -13.585 1.00 0.00 O ATOM 2272 CB LEU A 138 34.884 -10.427 -16.086 1.00 0.00 C ATOM 2273 CG LEU A 138 36.175 -10.619 -16.911 1.00 0.00 C ATOM 2274 CD1 LEU A 138 36.619 -12.085 -16.977 1.00 0.00 C ATOM 2275 CD2 LEU A 138 35.947 -10.097 -18.333 1.00 0.00 C ATOM 0 H LEU A 138 33.124 -9.962 -14.439 1.00 0.00 H new ATOM 0 HA LEU A 138 35.184 -11.953 -14.603 1.00 0.00 H new ATOM 0 HB2 LEU A 138 34.076 -10.980 -16.565 1.00 0.00 H new ATOM 0 HB3 LEU A 138 34.606 -9.373 -16.108 1.00 0.00 H new ATOM 0 HG LEU A 138 36.967 -10.060 -16.413 1.00 0.00 H new ATOM 0 HD11 LEU A 138 37.531 -12.163 -17.569 1.00 0.00 H new ATOM 0 HD12 LEU A 138 36.808 -12.454 -15.969 1.00 0.00 H new ATOM 0 HD13 LEU A 138 35.834 -12.682 -17.440 1.00 0.00 H new ATOM 0 HD21 LEU A 138 36.856 -10.230 -18.920 1.00 0.00 H new ATOM 0 HD22 LEU A 138 35.131 -10.651 -18.797 1.00 0.00 H new ATOM 0 HD23 LEU A 138 35.692 -9.038 -18.295 1.00 0.00 H new