USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 507 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 26 GLN : amide:sc= -1.47 K(o=-0.9,f=-3.9!) USER MOD Set 1.2: A 70 LYS NZ :NH3+ 167:sc= 0.569 (180deg=-0.0023) USER MOD Single : A 1 SER N :NH3+ -153:sc= 0.0162 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= -0.0782 USER MOD Single : A 6 SER OG : rot 94:sc= 1.09 USER MOD Single : A 7 SER OG : rot 93:sc= 1.2 USER MOD Single : A 8 CYS SG : rot -160:sc= -0.142 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN :FLIP amide:sc= -0.173 F(o=-1.4,f=-0.17) USER MOD Single : A 35 LYS NZ :NH3+ -158:sc= -0.0659 (180deg=-0.412) USER MOD Single : A 36 GLN : amide:sc= -2.61! C(o=-2.6!,f=-2.5!) USER MOD Single : A 47 THR OG1 : rot 102:sc= 1.19 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -144:sc= -0.0377 (180deg=-0.409) USER MOD Single : A 75 THR OG1 : rot -151:sc= -0.451 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl -168:sc= -1.18 (180deg=-2.19) USER MOD ----------------------------------------------------------------- ATOM 63 N SER A 1 -3.662 3.479 -9.272 1.00 0.00 N ATOM 64 CA SER A 1 -4.347 3.965 -10.464 1.00 0.00 C ATOM 65 C SER A 1 -4.212 2.970 -11.613 1.00 0.00 C ATOM 66 O SER A 1 -5.207 2.538 -12.194 1.00 0.00 O ATOM 67 CB SER A 1 -3.784 5.325 -10.883 1.00 0.00 C ATOM 68 OG SER A 1 -2.379 5.262 -11.061 1.00 0.00 O ATOM 0 H1 SER A 1 -4.112 3.881 -8.425 1.00 0.00 H new ATOM 0 H2 SER A 1 -3.722 2.441 -9.236 1.00 0.00 H new ATOM 0 H3 SER A 1 -2.663 3.768 -9.304 1.00 0.00 H new ATOM 0 HA SER A 1 -5.405 4.075 -10.225 1.00 0.00 H new ATOM 0 HB2 SER A 1 -4.257 5.648 -11.810 1.00 0.00 H new ATOM 0 HB3 SER A 1 -4.025 6.071 -10.126 1.00 0.00 H new ATOM 0 HG SER A 1 -2.044 6.143 -11.330 1.00 0.00 H new ATOM 74 N ALA A 2 -2.974 2.612 -11.934 1.00 0.00 N ATOM 75 CA ALA A 2 -2.707 1.667 -13.012 1.00 0.00 C ATOM 76 C ALA A 2 -3.268 0.288 -12.683 1.00 0.00 C ATOM 77 O ALA A 2 -3.502 -0.527 -13.576 1.00 0.00 O ATOM 78 CB ALA A 2 -1.212 1.581 -13.281 1.00 0.00 C ATOM 0 H ALA A 2 -2.139 2.962 -11.463 1.00 0.00 H new ATOM 0 HA ALA A 2 -3.206 2.029 -13.911 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.028 0.872 -14.088 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -0.837 2.563 -13.568 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -0.699 1.246 -12.380 1.00 0.00 H new ATOM 84 N ASP A 3 -3.481 0.032 -11.397 1.00 0.00 N ATOM 85 CA ASP A 3 -4.014 -1.250 -10.951 1.00 0.00 C ATOM 86 C ASP A 3 -5.523 -1.316 -11.170 1.00 0.00 C ATOM 87 O ASP A 3 -6.052 -2.335 -11.617 1.00 0.00 O ATOM 88 CB ASP A 3 -3.691 -1.474 -9.473 1.00 0.00 C ATOM 89 CG ASP A 3 -3.876 -2.919 -9.052 1.00 0.00 C ATOM 90 OD1 ASP A 3 -4.881 -3.532 -9.467 1.00 0.00 O ATOM 91 OD2 ASP A 3 -3.017 -3.435 -8.307 1.00 0.00 O ATOM 0 H ASP A 3 -3.293 0.695 -10.645 1.00 0.00 H new ATOM 0 HA ASP A 3 -3.544 -2.037 -11.541 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -2.662 -1.171 -9.279 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -4.331 -0.836 -8.864 1.00 0.00 H new ATOM 96 N LEU A 4 -6.210 -0.225 -10.851 1.00 0.00 N ATOM 97 CA LEU A 4 -7.658 -0.159 -11.011 1.00 0.00 C ATOM 98 C LEU A 4 -8.042 -0.132 -12.487 1.00 0.00 C ATOM 99 O LEU A 4 -9.007 -0.774 -12.901 1.00 0.00 O ATOM 100 CB LEU A 4 -8.214 1.079 -10.305 1.00 0.00 C ATOM 101 CG LEU A 4 -9.738 1.189 -10.243 1.00 0.00 C ATOM 102 CD1 LEU A 4 -10.176 1.774 -8.909 1.00 0.00 C ATOM 103 CD2 LEU A 4 -10.259 2.035 -11.395 1.00 0.00 C ATOM 0 H LEU A 4 -5.788 0.626 -10.480 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.089 -1.052 -10.558 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.827 1.096 -9.286 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.826 1.965 -10.808 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.160 0.188 -10.334 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.263 1.845 -8.882 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -9.835 1.129 -8.099 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.744 2.768 -8.788 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.345 2.102 -11.335 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.830 3.035 -11.335 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.976 1.575 -12.342 1.00 0.00 H new ATOM 115 N VAL A 5 -7.278 0.615 -13.278 1.00 0.00 N ATOM 116 CA VAL A 5 -7.535 0.724 -14.709 1.00 0.00 C ATOM 117 C VAL A 5 -7.212 -0.582 -15.426 1.00 0.00 C ATOM 118 O VAL A 5 -8.028 -1.104 -16.186 1.00 0.00 O ATOM 119 CB VAL A 5 -6.713 1.862 -15.342 1.00 0.00 C ATOM 120 CG1 VAL A 5 -6.915 1.892 -16.850 1.00 0.00 C ATOM 121 CG2 VAL A 5 -7.085 3.198 -14.719 1.00 0.00 C ATOM 0 H VAL A 5 -6.476 1.154 -12.952 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.596 0.945 -14.824 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.657 1.677 -15.145 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -6.326 2.703 -17.280 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.594 0.943 -17.279 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -7.970 2.052 -17.073 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -6.494 3.991 -15.178 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -8.145 3.393 -14.883 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -6.883 3.169 -13.648 1.00 0.00 H new ATOM 131 N SER A 6 -6.015 -1.105 -15.180 1.00 0.00 N ATOM 132 CA SER A 6 -5.581 -2.350 -15.805 1.00 0.00 C ATOM 133 C SER A 6 -6.495 -3.505 -15.406 1.00 0.00 C ATOM 134 O SER A 6 -6.793 -4.383 -16.215 1.00 0.00 O ATOM 135 CB SER A 6 -4.137 -2.667 -15.411 1.00 0.00 C ATOM 136 OG SER A 6 -3.241 -1.707 -15.943 1.00 0.00 O ATOM 0 H SER A 6 -5.328 -0.686 -14.553 1.00 0.00 H new ATOM 0 HA SER A 6 -5.635 -2.224 -16.886 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.049 -2.688 -14.325 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.868 -3.660 -15.772 1.00 0.00 H new ATOM 0 HG SER A 6 -3.083 -1.004 -15.279 1.00 0.00 H new ATOM 142 N SER A 7 -6.935 -3.497 -14.152 1.00 0.00 N ATOM 143 CA SER A 7 -7.811 -4.545 -13.643 1.00 0.00 C ATOM 144 C SER A 7 -9.220 -4.399 -14.210 1.00 0.00 C ATOM 145 O SER A 7 -9.780 -5.347 -14.763 1.00 0.00 O ATOM 146 CB SER A 7 -7.858 -4.503 -12.114 1.00 0.00 C ATOM 147 OG SER A 7 -6.619 -4.902 -11.555 1.00 0.00 O ATOM 0 H SER A 7 -6.699 -2.776 -13.470 1.00 0.00 H new ATOM 0 HA SER A 7 -7.408 -5.506 -13.961 1.00 0.00 H new ATOM 0 HB2 SER A 7 -8.102 -3.494 -11.782 1.00 0.00 H new ATOM 0 HB3 SER A 7 -8.651 -5.158 -11.753 1.00 0.00 H new ATOM 0 HG SER A 7 -6.061 -4.112 -11.400 1.00 0.00 H new ATOM 153 N CYS A 8 -9.786 -3.206 -14.070 1.00 0.00 N ATOM 154 CA CYS A 8 -11.131 -2.935 -14.568 1.00 0.00 C ATOM 155 C CYS A 8 -11.206 -3.152 -16.075 1.00 0.00 C ATOM 156 O CYS A 8 -12.179 -3.708 -16.585 1.00 0.00 O ATOM 157 CB CYS A 8 -11.544 -1.503 -14.225 1.00 0.00 C ATOM 158 SG CYS A 8 -12.034 -1.268 -12.501 1.00 0.00 S ATOM 0 H CYS A 8 -9.336 -2.411 -13.616 1.00 0.00 H new ATOM 0 HA CYS A 8 -11.818 -3.629 -14.085 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -10.714 -0.833 -14.450 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -12.373 -1.211 -14.870 1.00 0.00 H new ATOM 0 HG CYS A 8 -12.747 -0.186 -12.396 1.00 0.00 H new ATOM 164 N LYS A 9 -10.174 -2.709 -16.784 1.00 0.00 N ATOM 165 CA LYS A 9 -10.122 -2.855 -18.234 1.00 0.00 C ATOM 166 C LYS A 9 -9.995 -4.322 -18.630 1.00 0.00 C ATOM 167 O LYS A 9 -10.789 -4.833 -19.420 1.00 0.00 O ATOM 168 CB LYS A 9 -8.947 -2.057 -18.806 1.00 0.00 C ATOM 169 CG LYS A 9 -8.627 -2.398 -20.251 1.00 0.00 C ATOM 170 CD LYS A 9 -7.306 -3.140 -20.369 1.00 0.00 C ATOM 171 CE LYS A 9 -7.441 -4.382 -21.238 1.00 0.00 C ATOM 172 NZ LYS A 9 -6.343 -4.479 -22.239 1.00 0.00 N ATOM 0 H LYS A 9 -9.361 -2.245 -16.378 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.053 -2.466 -18.646 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.172 -0.993 -18.734 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.063 -2.238 -18.194 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.427 -3.010 -20.667 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.585 -1.483 -20.841 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.552 -2.477 -20.794 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.957 -3.425 -19.376 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.436 -5.270 -20.606 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.402 -4.363 -21.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.470 -5.338 -22.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.363 -3.644 -22.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.428 -4.523 -21.747 1.00 0.00 H new ATOM 186 N ASP A 10 -8.993 -4.995 -18.075 1.00 0.00 N ATOM 187 CA ASP A 10 -8.763 -6.405 -18.368 1.00 0.00 C ATOM 188 C ASP A 10 -10.047 -7.211 -18.199 1.00 0.00 C ATOM 189 O ASP A 10 -10.418 -7.999 -19.070 1.00 0.00 O ATOM 190 CB ASP A 10 -7.670 -6.966 -17.457 1.00 0.00 C ATOM 191 CG ASP A 10 -7.487 -8.461 -17.626 1.00 0.00 C ATOM 192 OD1 ASP A 10 -8.249 -9.228 -17.001 1.00 0.00 O ATOM 193 OD2 ASP A 10 -6.581 -8.865 -18.385 1.00 0.00 O ATOM 0 H ASP A 10 -8.327 -4.587 -17.419 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.437 -6.487 -19.405 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.728 -6.461 -17.671 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.919 -6.748 -16.418 1.00 0.00 H new ATOM 198 N LYS A 11 -10.722 -7.009 -17.073 1.00 0.00 N ATOM 199 CA LYS A 11 -11.965 -7.716 -16.788 1.00 0.00 C ATOM 200 C LYS A 11 -13.082 -7.250 -17.718 1.00 0.00 C ATOM 201 O LYS A 11 -13.701 -8.056 -18.413 1.00 0.00 O ATOM 202 CB LYS A 11 -12.377 -7.499 -15.330 1.00 0.00 C ATOM 203 CG LYS A 11 -11.788 -8.521 -14.373 1.00 0.00 C ATOM 204 CD LYS A 11 -10.276 -8.598 -14.503 1.00 0.00 C ATOM 205 CE LYS A 11 -9.620 -8.953 -13.177 1.00 0.00 C ATOM 206 NZ LYS A 11 -8.136 -8.994 -13.285 1.00 0.00 N ATOM 0 H LYS A 11 -10.429 -6.361 -16.342 1.00 0.00 H new ATOM 0 HA LYS A 11 -11.796 -8.779 -16.957 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -12.068 -6.501 -15.018 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -13.464 -7.532 -15.260 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -12.053 -8.258 -13.349 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.222 -9.501 -14.573 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.012 -9.344 -15.252 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.891 -7.641 -14.856 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.909 -8.222 -12.422 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.986 -9.922 -12.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.727 -9.239 -12.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.859 -9.709 -13.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.784 -8.062 -13.583 1.00 0.00 H new ATOM 220 N LEU A 12 -13.332 -5.946 -17.726 1.00 0.00 N ATOM 221 CA LEU A 12 -14.373 -5.372 -18.572 1.00 0.00 C ATOM 222 C LEU A 12 -14.251 -5.879 -20.005 1.00 0.00 C ATOM 223 O LEU A 12 -15.249 -6.209 -20.644 1.00 0.00 O ATOM 224 CB LEU A 12 -14.291 -3.845 -18.550 1.00 0.00 C ATOM 225 CG LEU A 12 -15.155 -3.111 -19.577 1.00 0.00 C ATOM 226 CD1 LEU A 12 -16.277 -2.352 -18.886 1.00 0.00 C ATOM 227 CD2 LEU A 12 -14.303 -2.166 -20.412 1.00 0.00 C ATOM 0 H LEU A 12 -12.829 -5.266 -17.157 1.00 0.00 H new ATOM 0 HA LEU A 12 -15.340 -5.683 -18.177 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -14.573 -3.500 -17.555 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -13.252 -3.555 -18.705 1.00 0.00 H new ATOM 0 HG LEU A 12 -15.601 -3.850 -20.243 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -16.881 -1.836 -19.633 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -16.903 -3.052 -18.333 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -15.852 -1.623 -18.196 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -14.934 -1.652 -21.137 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -13.828 -1.433 -19.760 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -13.536 -2.735 -20.937 1.00 0.00 H new ATOM 239 N ALA A 13 -13.020 -5.939 -20.503 1.00 0.00 N ATOM 240 CA ALA A 13 -12.767 -6.410 -21.859 1.00 0.00 C ATOM 241 C ALA A 13 -13.040 -7.905 -21.981 1.00 0.00 C ATOM 242 O ALA A 13 -13.651 -8.358 -22.949 1.00 0.00 O ATOM 243 CB ALA A 13 -11.335 -6.097 -22.268 1.00 0.00 C ATOM 0 H ALA A 13 -12.183 -5.667 -19.988 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.447 -5.888 -22.531 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -11.160 -6.454 -23.283 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.173 -5.020 -22.230 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.645 -6.592 -21.585 1.00 0.00 H new ATOM 249 N TYR A 14 -12.582 -8.667 -20.994 1.00 0.00 N ATOM 250 CA TYR A 14 -12.774 -10.113 -20.993 1.00 0.00 C ATOM 251 C TYR A 14 -14.234 -10.468 -20.728 1.00 0.00 C ATOM 252 O TYR A 14 -14.655 -11.607 -20.934 1.00 0.00 O ATOM 253 CB TYR A 14 -11.879 -10.766 -19.938 1.00 0.00 C ATOM 254 CG TYR A 14 -11.940 -12.277 -19.943 1.00 0.00 C ATOM 255 CD1 TYR A 14 -11.912 -12.988 -21.137 1.00 0.00 C ATOM 256 CD2 TYR A 14 -12.028 -12.993 -18.756 1.00 0.00 C ATOM 257 CE1 TYR A 14 -11.969 -14.368 -21.147 1.00 0.00 C ATOM 258 CE2 TYR A 14 -12.083 -14.373 -18.757 1.00 0.00 C ATOM 259 CZ TYR A 14 -12.053 -15.056 -19.954 1.00 0.00 C ATOM 260 OH TYR A 14 -12.110 -16.431 -19.959 1.00 0.00 O ATOM 0 H TYR A 14 -12.075 -8.308 -20.185 1.00 0.00 H new ATOM 0 HA TYR A 14 -12.500 -10.492 -21.978 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -10.848 -10.452 -20.103 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -12.169 -10.402 -18.952 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -11.845 -12.453 -22.072 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -12.054 -12.461 -17.816 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.948 -14.906 -22.083 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -12.149 -14.914 -17.825 1.00 0.00 H new ATOM 0 HH TYR A 14 -12.165 -16.759 -19.037 1.00 0.00 H new ATOM 270 N PHE A 15 -15.002 -9.485 -20.271 1.00 0.00 N ATOM 271 CA PHE A 15 -16.415 -9.692 -19.978 1.00 0.00 C ATOM 272 C PHE A 15 -17.287 -9.198 -21.128 1.00 0.00 C ATOM 273 O PHE A 15 -17.066 -8.114 -21.668 1.00 0.00 O ATOM 274 CB PHE A 15 -16.800 -8.971 -18.684 1.00 0.00 C ATOM 275 CG PHE A 15 -16.348 -9.684 -17.442 1.00 0.00 C ATOM 276 CD1 PHE A 15 -16.674 -11.014 -17.234 1.00 0.00 C ATOM 277 CD2 PHE A 15 -15.597 -9.024 -16.483 1.00 0.00 C ATOM 278 CE1 PHE A 15 -16.258 -11.674 -16.092 1.00 0.00 C ATOM 279 CE2 PHE A 15 -15.179 -9.678 -15.340 1.00 0.00 C ATOM 280 CZ PHE A 15 -15.511 -11.004 -15.144 1.00 0.00 C ATOM 0 H PHE A 15 -14.669 -8.537 -20.095 1.00 0.00 H new ATOM 0 HA PHE A 15 -16.582 -10.762 -19.853 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -16.371 -7.969 -18.694 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -17.883 -8.853 -18.652 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -17.260 -11.542 -17.972 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -15.335 -7.987 -16.631 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -16.517 -12.712 -15.942 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -14.593 -9.153 -14.600 1.00 0.00 H new ATOM 0 HZ PHE A 15 -15.187 -11.516 -14.250 1.00 0.00 H new ATOM 290 N ARG A 16 -18.279 -10.002 -21.498 1.00 0.00 N ATOM 291 CA ARG A 16 -19.184 -9.649 -22.585 1.00 0.00 C ATOM 292 C ARG A 16 -19.777 -8.260 -22.369 1.00 0.00 C ATOM 293 O ARG A 16 -19.573 -7.643 -21.323 1.00 0.00 O ATOM 294 CB ARG A 16 -20.306 -10.683 -22.700 1.00 0.00 C ATOM 295 CG ARG A 16 -19.810 -12.120 -22.718 1.00 0.00 C ATOM 296 CD ARG A 16 -20.454 -12.917 -23.842 1.00 0.00 C ATOM 297 NE ARG A 16 -19.520 -13.172 -24.935 1.00 0.00 N ATOM 298 CZ ARG A 16 -19.838 -13.854 -26.030 1.00 0.00 C ATOM 299 NH1 ARG A 16 -21.061 -14.346 -26.176 1.00 0.00 N ATOM 300 NH2 ARG A 16 -18.934 -14.045 -26.981 1.00 0.00 N ATOM 0 H ARG A 16 -18.476 -10.902 -21.061 1.00 0.00 H new ATOM 0 HA ARG A 16 -18.612 -9.640 -23.513 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -20.994 -10.555 -21.864 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -20.873 -10.492 -23.611 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -18.727 -12.131 -22.837 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -20.030 -12.594 -21.762 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -20.821 -13.865 -23.450 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -21.319 -12.373 -24.223 1.00 0.00 H new ATOM 0 HE ARG A 16 -18.571 -12.806 -24.853 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -21.759 -14.201 -25.447 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -21.303 -14.869 -27.017 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -17.992 -13.668 -26.873 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -19.180 -14.569 -27.821 1.00 0.00 H new ATOM 314 N ILE A 17 -20.511 -7.774 -23.364 1.00 0.00 N ATOM 315 CA ILE A 17 -21.135 -6.459 -23.282 1.00 0.00 C ATOM 316 C ILE A 17 -21.910 -6.299 -21.979 1.00 0.00 C ATOM 317 O ILE A 17 -22.107 -5.185 -21.494 1.00 0.00 O ATOM 318 CB ILE A 17 -22.087 -6.213 -24.467 1.00 0.00 C ATOM 319 CG1 ILE A 17 -21.402 -6.579 -25.785 1.00 0.00 C ATOM 320 CG2 ILE A 17 -22.544 -4.762 -24.486 1.00 0.00 C ATOM 321 CD1 ILE A 17 -21.954 -5.834 -26.980 1.00 0.00 C ATOM 0 H ILE A 17 -20.688 -8.271 -24.237 1.00 0.00 H new ATOM 0 HA ILE A 17 -20.330 -5.725 -23.315 1.00 0.00 H new ATOM 0 HB ILE A 17 -22.964 -6.849 -24.347 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -20.335 -6.373 -25.700 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -21.507 -7.651 -25.955 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -23.216 -4.603 -25.329 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -23.066 -4.533 -23.557 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -21.677 -4.109 -24.585 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -21.422 -6.143 -27.879 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -23.015 -6.059 -27.091 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -21.824 -4.762 -26.832 1.00 0.00 H new ATOM 333 N LYS A 18 -22.347 -7.420 -21.415 1.00 0.00 N ATOM 334 CA LYS A 18 -23.098 -7.406 -20.165 1.00 0.00 C ATOM 335 C LYS A 18 -22.414 -6.520 -19.129 1.00 0.00 C ATOM 336 O LYS A 18 -23.052 -5.670 -18.508 1.00 0.00 O ATOM 337 CB LYS A 18 -23.245 -8.828 -19.619 1.00 0.00 C ATOM 338 CG LYS A 18 -24.674 -9.196 -19.258 1.00 0.00 C ATOM 339 CD LYS A 18 -25.580 -9.177 -20.478 1.00 0.00 C ATOM 340 CE LYS A 18 -26.879 -8.439 -20.196 1.00 0.00 C ATOM 341 NZ LYS A 18 -27.777 -8.423 -21.384 1.00 0.00 N ATOM 0 H LYS A 18 -22.194 -8.350 -21.804 1.00 0.00 H new ATOM 0 HA LYS A 18 -24.088 -6.998 -20.369 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -22.874 -9.534 -20.362 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -22.617 -8.936 -18.735 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -24.692 -10.188 -18.806 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -25.053 -8.498 -18.511 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -25.062 -8.699 -21.310 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -25.800 -10.199 -20.785 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -27.392 -8.913 -19.359 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -26.657 -7.415 -19.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -28.652 -7.911 -21.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -27.298 -7.948 -22.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -28.010 -9.399 -21.656 1.00 0.00 H new ATOM 355 N GLU A 19 -21.113 -6.725 -18.948 1.00 0.00 N ATOM 356 CA GLU A 19 -20.344 -5.943 -17.987 1.00 0.00 C ATOM 357 C GLU A 19 -20.511 -4.448 -18.244 1.00 0.00 C ATOM 358 O GLU A 19 -20.896 -3.692 -17.351 1.00 0.00 O ATOM 359 CB GLU A 19 -18.863 -6.321 -18.058 1.00 0.00 C ATOM 360 CG GLU A 19 -18.308 -6.853 -16.747 1.00 0.00 C ATOM 361 CD GLU A 19 -18.448 -5.862 -15.609 1.00 0.00 C ATOM 362 OE1 GLU A 19 -17.936 -4.730 -15.742 1.00 0.00 O ATOM 363 OE2 GLU A 19 -19.069 -6.216 -14.585 1.00 0.00 O ATOM 0 H GLU A 19 -20.570 -7.425 -19.454 1.00 0.00 H new ATOM 0 HA GLU A 19 -20.722 -6.167 -16.989 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -18.726 -7.074 -18.834 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -18.287 -5.446 -18.358 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -18.826 -7.776 -16.486 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -17.255 -7.104 -16.878 1.00 0.00 H new ATOM 370 N LEU A 20 -20.218 -4.028 -19.470 1.00 0.00 N ATOM 371 CA LEU A 20 -20.335 -2.623 -19.845 1.00 0.00 C ATOM 372 C LEU A 20 -21.778 -2.145 -19.724 1.00 0.00 C ATOM 373 O LEU A 20 -22.035 -0.983 -19.411 1.00 0.00 O ATOM 374 CB LEU A 20 -19.835 -2.414 -21.276 1.00 0.00 C ATOM 375 CG LEU A 20 -18.399 -2.859 -21.557 1.00 0.00 C ATOM 376 CD1 LEU A 20 -18.379 -3.976 -22.588 1.00 0.00 C ATOM 377 CD2 LEU A 20 -17.558 -1.681 -22.027 1.00 0.00 C ATOM 0 H LEU A 20 -19.898 -4.640 -20.221 1.00 0.00 H new ATOM 0 HA LEU A 20 -19.720 -2.038 -19.162 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -20.499 -2.950 -21.954 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -19.920 -1.355 -21.518 1.00 0.00 H new ATOM 0 HG LEU A 20 -17.969 -3.240 -20.631 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -17.349 -4.280 -22.775 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -18.946 -4.828 -22.213 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -18.828 -3.622 -23.516 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -16.539 -2.016 -22.222 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -17.986 -1.270 -22.941 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -17.545 -0.912 -21.255 1.00 0.00 H new ATOM 389 N LYS A 21 -22.719 -3.051 -19.972 1.00 0.00 N ATOM 390 CA LYS A 21 -24.137 -2.724 -19.888 1.00 0.00 C ATOM 391 C LYS A 21 -24.503 -2.244 -18.487 1.00 0.00 C ATOM 392 O LYS A 21 -25.107 -1.185 -18.321 1.00 0.00 O ATOM 393 CB LYS A 21 -24.985 -3.943 -20.258 1.00 0.00 C ATOM 394 CG LYS A 21 -26.331 -3.586 -20.864 1.00 0.00 C ATOM 395 CD LYS A 21 -27.454 -3.729 -19.850 1.00 0.00 C ATOM 396 CE LYS A 21 -28.609 -2.789 -20.161 1.00 0.00 C ATOM 397 NZ LYS A 21 -29.894 -3.523 -20.321 1.00 0.00 N ATOM 0 H LYS A 21 -22.524 -4.018 -20.233 1.00 0.00 H new ATOM 0 HA LYS A 21 -24.341 -1.919 -20.594 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -24.430 -4.560 -20.965 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -25.147 -4.547 -19.365 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -26.304 -2.562 -21.236 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -26.528 -4.231 -21.720 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -27.812 -4.758 -19.845 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -27.072 -3.520 -18.851 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -28.707 -2.056 -19.360 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -28.391 -2.235 -21.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -30.656 -2.847 -20.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -29.810 -4.205 -21.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -30.116 -4.031 -19.441 1.00 0.00 H new ATOM 411 N ASP A 22 -24.131 -3.030 -17.482 1.00 0.00 N ATOM 412 CA ASP A 22 -24.417 -2.683 -16.095 1.00 0.00 C ATOM 413 C ASP A 22 -23.699 -1.398 -15.696 1.00 0.00 C ATOM 414 O ASP A 22 -24.263 -0.549 -15.004 1.00 0.00 O ATOM 415 CB ASP A 22 -24.001 -3.825 -15.165 1.00 0.00 C ATOM 416 CG ASP A 22 -25.159 -4.352 -14.341 1.00 0.00 C ATOM 417 OD1 ASP A 22 -26.121 -4.880 -14.938 1.00 0.00 O ATOM 418 OD2 ASP A 22 -25.103 -4.237 -13.099 1.00 0.00 O ATOM 0 H ASP A 22 -23.631 -3.911 -17.602 1.00 0.00 H new ATOM 0 HA ASP A 22 -25.491 -2.521 -16.001 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -23.581 -4.638 -15.758 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -23.213 -3.477 -14.498 1.00 0.00 H new ATOM 423 N ILE A 23 -22.452 -1.263 -16.135 1.00 0.00 N ATOM 424 CA ILE A 23 -21.657 -0.081 -15.824 1.00 0.00 C ATOM 425 C ILE A 23 -22.276 1.173 -16.431 1.00 0.00 C ATOM 426 O ILE A 23 -22.597 2.127 -15.720 1.00 0.00 O ATOM 427 CB ILE A 23 -20.211 -0.225 -16.334 1.00 0.00 C ATOM 428 CG1 ILE A 23 -19.545 -1.449 -15.703 1.00 0.00 C ATOM 429 CG2 ILE A 23 -19.414 1.034 -16.029 1.00 0.00 C ATOM 430 CD1 ILE A 23 -18.365 -1.970 -16.495 1.00 0.00 C ATOM 0 H ILE A 23 -21.971 -1.957 -16.707 1.00 0.00 H new ATOM 0 HA ILE A 23 -21.643 0.013 -14.738 1.00 0.00 H new ATOM 0 HB ILE A 23 -20.234 -0.364 -17.415 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -19.213 -1.194 -14.697 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -20.284 -2.244 -15.603 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -18.394 0.917 -16.396 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -19.880 1.888 -16.521 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -19.396 1.201 -14.952 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -17.942 -2.838 -15.989 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -18.695 -2.257 -17.493 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -17.607 -1.191 -16.574 1.00 0.00 H new ATOM 442 N LEU A 24 -22.443 1.166 -17.749 1.00 0.00 N ATOM 443 CA LEU A 24 -23.025 2.303 -18.453 1.00 0.00 C ATOM 444 C LEU A 24 -24.454 2.559 -17.984 1.00 0.00 C ATOM 445 O LEU A 24 -24.944 3.686 -18.043 1.00 0.00 O ATOM 446 CB LEU A 24 -23.008 2.056 -19.962 1.00 0.00 C ATOM 447 CG LEU A 24 -24.371 2.051 -20.657 1.00 0.00 C ATOM 448 CD1 LEU A 24 -24.216 2.360 -22.138 1.00 0.00 C ATOM 449 CD2 LEU A 24 -25.064 0.710 -20.459 1.00 0.00 C ATOM 0 H LEU A 24 -22.183 0.385 -18.352 1.00 0.00 H new ATOM 0 HA LEU A 24 -22.425 3.185 -18.229 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -22.388 2.821 -20.428 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -22.524 1.097 -20.148 1.00 0.00 H new ATOM 0 HG LEU A 24 -24.990 2.828 -20.208 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -25.196 2.352 -22.616 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -23.761 3.343 -22.259 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -23.580 1.606 -22.602 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -26.032 0.723 -20.960 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -24.448 -0.084 -20.881 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -25.209 0.529 -19.394 1.00 0.00 H new ATOM 461 N ASN A 25 -25.116 1.506 -17.516 1.00 0.00 N ATOM 462 CA ASN A 25 -26.488 1.618 -17.035 1.00 0.00 C ATOM 463 C ASN A 25 -26.552 2.455 -15.760 1.00 0.00 C ATOM 464 O ASN A 25 -27.390 3.346 -15.634 1.00 0.00 O ATOM 465 CB ASN A 25 -27.074 0.229 -16.775 1.00 0.00 C ATOM 466 CG ASN A 25 -28.051 0.221 -15.615 1.00 0.00 C ATOM 467 OD1 ASN A 25 -27.547 -0.068 -14.420 1.00 0.00 O flip ATOM 468 ND2 ASN A 25 -29.243 0.471 -15.790 1.00 0.00 N flip ATOM 0 H ASN A 25 -24.725 0.566 -17.460 1.00 0.00 H new ATOM 0 HA ASN A 25 -27.077 2.116 -17.805 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -27.579 -0.123 -17.674 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -26.264 -0.471 -16.569 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -29.587 0.688 -16.726 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -29.887 0.461 -14.999 1.00 0.00 H new ATOM 475 N GLN A 26 -25.659 2.161 -14.821 1.00 0.00 N ATOM 476 CA GLN A 26 -25.614 2.886 -13.557 1.00 0.00 C ATOM 477 C GLN A 26 -25.097 4.307 -13.762 1.00 0.00 C ATOM 478 O GLN A 26 -25.505 5.234 -13.063 1.00 0.00 O ATOM 479 CB GLN A 26 -24.726 2.149 -12.553 1.00 0.00 C ATOM 480 CG GLN A 26 -25.403 0.950 -11.909 1.00 0.00 C ATOM 481 CD GLN A 26 -24.429 0.063 -11.157 1.00 0.00 C ATOM 482 OE1 GLN A 26 -24.646 -0.267 -9.991 1.00 0.00 O ATOM 483 NE2 GLN A 26 -23.349 -0.326 -11.823 1.00 0.00 N ATOM 0 H GLN A 26 -24.957 1.426 -14.911 1.00 0.00 H new ATOM 0 HA GLN A 26 -26.629 2.941 -13.163 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -23.819 1.816 -13.058 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -24.419 2.845 -11.773 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -26.175 1.299 -11.223 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -25.903 0.363 -12.679 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -23.210 -0.028 -12.789 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -22.658 -0.923 -11.369 1.00 0.00 H new ATOM 492 N LEU A 27 -24.197 4.470 -14.726 1.00 0.00 N ATOM 493 CA LEU A 27 -23.624 5.778 -15.024 1.00 0.00 C ATOM 494 C LEU A 27 -24.679 6.716 -15.602 1.00 0.00 C ATOM 495 O LEU A 27 -24.643 7.924 -15.373 1.00 0.00 O ATOM 496 CB LEU A 27 -22.459 5.635 -16.005 1.00 0.00 C ATOM 497 CG LEU A 27 -21.136 5.150 -15.411 1.00 0.00 C ATOM 498 CD1 LEU A 27 -20.412 4.242 -16.391 1.00 0.00 C ATOM 499 CD2 LEU A 27 -20.259 6.333 -15.028 1.00 0.00 C ATOM 0 H LEU A 27 -23.849 3.713 -15.314 1.00 0.00 H new ATOM 0 HA LEU A 27 -23.255 6.207 -14.092 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -22.756 4.942 -16.792 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -22.289 6.602 -16.479 1.00 0.00 H new ATOM 0 HG LEU A 27 -21.352 4.577 -14.510 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -19.473 3.907 -15.951 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -21.037 3.377 -16.615 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -20.207 4.790 -17.311 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -19.322 5.970 -14.607 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -20.051 6.933 -15.914 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -20.776 6.945 -14.289 1.00 0.00 H new ATOM 619 N LYS A 35 -19.344 -1.804 -28.423 1.00 0.00 N ATOM 620 CA LYS A 35 -18.374 -2.378 -27.498 1.00 0.00 C ATOM 621 C LYS A 35 -17.204 -1.425 -27.277 1.00 0.00 C ATOM 622 O LYS A 35 -16.696 -1.299 -26.163 1.00 0.00 O ATOM 623 CB LYS A 35 -17.861 -3.718 -28.030 1.00 0.00 C ATOM 624 CG LYS A 35 -18.399 -4.919 -27.272 1.00 0.00 C ATOM 625 CD LYS A 35 -17.924 -4.926 -25.829 1.00 0.00 C ATOM 626 CE LYS A 35 -16.504 -5.459 -25.712 1.00 0.00 C ATOM 627 NZ LYS A 35 -16.421 -6.900 -26.078 1.00 0.00 N ATOM 0 HA LYS A 35 -18.873 -2.541 -26.543 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -18.134 -3.810 -29.081 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -16.772 -3.726 -27.981 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -19.489 -4.908 -27.297 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -18.078 -5.836 -27.766 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -17.968 -3.914 -25.425 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -18.595 -5.539 -25.227 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -15.845 -4.881 -26.360 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -16.148 -5.322 -24.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -15.571 -7.319 -25.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -17.266 -7.396 -25.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -16.368 -6.993 -27.112 1.00 0.00 H new ATOM 641 N GLN A 36 -16.782 -0.756 -28.346 1.00 0.00 N ATOM 642 CA GLN A 36 -15.672 0.186 -28.267 1.00 0.00 C ATOM 643 C GLN A 36 -16.073 1.438 -27.494 1.00 0.00 C ATOM 644 O GLN A 36 -15.378 1.857 -26.568 1.00 0.00 O ATOM 645 CB GLN A 36 -15.200 0.569 -29.671 1.00 0.00 C ATOM 646 CG GLN A 36 -14.338 1.821 -29.703 1.00 0.00 C ATOM 647 CD GLN A 36 -13.318 1.855 -28.582 1.00 0.00 C ATOM 648 OE1 GLN A 36 -13.051 2.908 -28.002 1.00 0.00 O ATOM 649 NE2 GLN A 36 -12.741 0.701 -28.271 1.00 0.00 N ATOM 0 H GLN A 36 -17.192 -0.849 -29.275 1.00 0.00 H new ATOM 0 HA GLN A 36 -14.854 -0.300 -27.735 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -14.635 -0.262 -30.095 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -16.071 0.721 -30.309 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -13.821 1.878 -30.661 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -14.978 2.700 -29.634 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -12.992 -0.148 -28.778 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -12.046 0.663 -27.525 1.00 0.00 H new ATOM 658 N ASP A 37 -17.198 2.031 -27.880 1.00 0.00 N ATOM 659 CA ASP A 37 -17.692 3.234 -27.222 1.00 0.00 C ATOM 660 C ASP A 37 -17.791 3.028 -25.714 1.00 0.00 C ATOM 661 O ASP A 37 -17.323 3.856 -24.932 1.00 0.00 O ATOM 662 CB ASP A 37 -19.059 3.625 -27.787 1.00 0.00 C ATOM 663 CG ASP A 37 -19.020 4.939 -28.541 1.00 0.00 C ATOM 664 OD1 ASP A 37 -19.034 6.001 -27.884 1.00 0.00 O ATOM 665 OD2 ASP A 37 -18.977 4.907 -29.789 1.00 0.00 O ATOM 0 H ASP A 37 -17.784 1.698 -28.645 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.984 4.040 -27.414 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -19.412 2.838 -28.453 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -19.778 3.699 -26.971 1.00 0.00 H new ATOM 670 N LEU A 38 -18.404 1.920 -25.313 1.00 0.00 N ATOM 671 CA LEU A 38 -18.566 1.605 -23.898 1.00 0.00 C ATOM 672 C LEU A 38 -17.211 1.455 -23.215 1.00 0.00 C ATOM 673 O LEU A 38 -16.934 2.112 -22.211 1.00 0.00 O ATOM 674 CB LEU A 38 -19.379 0.320 -23.731 1.00 0.00 C ATOM 675 CG LEU A 38 -20.716 0.271 -24.472 1.00 0.00 C ATOM 676 CD1 LEU A 38 -21.056 -1.158 -24.865 1.00 0.00 C ATOM 677 CD2 LEU A 38 -21.823 0.868 -23.615 1.00 0.00 C ATOM 0 H LEU A 38 -18.797 1.225 -25.947 1.00 0.00 H new ATOM 0 HA LEU A 38 -19.101 2.430 -23.427 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -18.769 -0.518 -24.067 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -19.570 0.170 -22.668 1.00 0.00 H new ATOM 0 HG LEU A 38 -20.628 0.865 -25.382 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -22.010 -1.173 -25.391 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -20.276 -1.551 -25.517 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -21.126 -1.775 -23.969 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -22.767 0.825 -24.158 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -21.911 0.301 -22.688 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -21.585 1.906 -23.384 1.00 0.00 H new ATOM 689 N ILE A 39 -16.369 0.588 -23.767 1.00 0.00 N ATOM 690 CA ILE A 39 -15.041 0.354 -23.213 1.00 0.00 C ATOM 691 C ILE A 39 -14.300 1.668 -22.987 1.00 0.00 C ATOM 692 O ILE A 39 -13.767 1.913 -21.905 1.00 0.00 O ATOM 693 CB ILE A 39 -14.197 -0.546 -24.135 1.00 0.00 C ATOM 694 CG1 ILE A 39 -14.407 -2.019 -23.778 1.00 0.00 C ATOM 695 CG2 ILE A 39 -12.725 -0.176 -24.034 1.00 0.00 C ATOM 696 CD1 ILE A 39 -14.612 -2.910 -24.983 1.00 0.00 C ATOM 0 H ILE A 39 -16.583 0.036 -24.598 1.00 0.00 H new ATOM 0 HA ILE A 39 -15.182 -0.150 -22.257 1.00 0.00 H new ATOM 0 HB ILE A 39 -14.521 -0.391 -25.164 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -13.543 -2.375 -23.216 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -15.273 -2.105 -23.121 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.142 -0.821 -24.691 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -12.590 0.864 -24.332 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.387 -0.305 -23.006 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -14.754 -3.939 -24.654 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -15.493 -2.580 -25.534 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -13.737 -2.854 -25.630 1.00 0.00 H new ATOM 708 N ASP A 40 -14.273 2.509 -24.015 1.00 0.00 N ATOM 709 CA ASP A 40 -13.601 3.800 -23.928 1.00 0.00 C ATOM 710 C ASP A 40 -14.246 4.679 -22.861 1.00 0.00 C ATOM 711 O ASP A 40 -13.577 5.494 -22.227 1.00 0.00 O ATOM 712 CB ASP A 40 -13.638 4.511 -25.282 1.00 0.00 C ATOM 713 CG ASP A 40 -12.273 5.013 -25.710 1.00 0.00 C ATOM 714 OD1 ASP A 40 -11.333 4.195 -25.772 1.00 0.00 O ATOM 715 OD2 ASP A 40 -12.146 6.226 -25.982 1.00 0.00 O ATOM 0 H ASP A 40 -14.708 2.320 -24.918 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.563 3.622 -23.647 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.024 3.827 -26.038 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.331 5.351 -25.229 1.00 0.00 H new ATOM 720 N ARG A 41 -15.550 4.507 -22.670 1.00 0.00 N ATOM 721 CA ARG A 41 -16.286 5.285 -21.681 1.00 0.00 C ATOM 722 C ARG A 41 -15.872 4.897 -20.265 1.00 0.00 C ATOM 723 O ARG A 41 -15.599 5.759 -19.429 1.00 0.00 O ATOM 724 CB ARG A 41 -17.792 5.080 -21.857 1.00 0.00 C ATOM 725 CG ARG A 41 -18.495 6.260 -22.508 1.00 0.00 C ATOM 726 CD ARG A 41 -18.525 7.469 -21.585 1.00 0.00 C ATOM 727 NE ARG A 41 -18.253 8.712 -22.303 1.00 0.00 N ATOM 728 CZ ARG A 41 -18.569 9.914 -21.835 1.00 0.00 C ATOM 729 NH1 ARG A 41 -19.164 10.035 -20.656 1.00 0.00 N ATOM 730 NH2 ARG A 41 -18.289 10.998 -22.547 1.00 0.00 N ATOM 0 H ARG A 41 -16.118 3.836 -23.187 1.00 0.00 H new ATOM 0 HA ARG A 41 -16.049 6.338 -21.835 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -17.961 4.189 -22.462 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -18.241 4.893 -20.882 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -17.986 6.522 -23.436 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -19.514 5.977 -22.772 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -19.501 7.534 -21.104 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -17.788 7.339 -20.793 1.00 0.00 H new ATOM 0 HE ARG A 41 -17.796 8.653 -23.213 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -19.380 9.204 -20.106 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -19.405 10.960 -20.299 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -17.831 10.908 -23.454 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -18.532 11.921 -22.187 1.00 0.00 H new ATOM 744 N VAL A 42 -15.827 3.595 -20.003 1.00 0.00 N ATOM 745 CA VAL A 42 -15.446 3.092 -18.688 1.00 0.00 C ATOM 746 C VAL A 42 -14.050 3.569 -18.301 1.00 0.00 C ATOM 747 O VAL A 42 -13.867 4.216 -17.269 1.00 0.00 O ATOM 748 CB VAL A 42 -15.480 1.553 -18.644 1.00 0.00 C ATOM 749 CG1 VAL A 42 -14.829 1.040 -17.369 1.00 0.00 C ATOM 750 CG2 VAL A 42 -16.911 1.049 -18.761 1.00 0.00 C ATOM 0 H VAL A 42 -16.050 2.869 -20.684 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.172 3.485 -17.976 1.00 0.00 H new ATOM 0 HB VAL A 42 -14.913 1.170 -19.492 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.863 -0.049 -17.356 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -13.791 1.371 -17.332 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -15.366 1.430 -16.504 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -16.917 -0.040 -18.728 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -17.503 1.440 -17.934 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.339 1.386 -19.705 1.00 0.00 H new ATOM 760 N LEU A 43 -13.068 3.247 -19.136 1.00 0.00 N ATOM 761 CA LEU A 43 -11.688 3.644 -18.882 1.00 0.00 C ATOM 762 C LEU A 43 -11.575 5.157 -18.728 1.00 0.00 C ATOM 763 O LEU A 43 -10.870 5.650 -17.848 1.00 0.00 O ATOM 764 CB LEU A 43 -10.782 3.166 -20.019 1.00 0.00 C ATOM 765 CG LEU A 43 -10.948 1.706 -20.441 1.00 0.00 C ATOM 766 CD1 LEU A 43 -9.800 1.276 -21.341 1.00 0.00 C ATOM 767 CD2 LEU A 43 -11.036 0.804 -19.219 1.00 0.00 C ATOM 0 H LEU A 43 -13.202 2.712 -19.994 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.368 3.179 -17.950 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.961 3.797 -20.889 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.745 3.321 -19.720 1.00 0.00 H new ATOM 0 HG LEU A 43 -11.877 1.614 -21.003 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -9.936 0.234 -21.631 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.783 1.902 -22.233 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.857 1.384 -20.805 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.154 -0.231 -19.539 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.124 0.900 -18.629 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -11.893 1.096 -18.612 1.00 0.00 H new ATOM 779 N ALA A 44 -12.276 5.888 -19.589 1.00 0.00 N ATOM 780 CA ALA A 44 -12.258 7.345 -19.546 1.00 0.00 C ATOM 781 C ALA A 44 -12.945 7.865 -18.289 1.00 0.00 C ATOM 782 O ALA A 44 -12.706 8.995 -17.861 1.00 0.00 O ATOM 783 CB ALA A 44 -12.922 7.918 -20.789 1.00 0.00 C ATOM 0 H ALA A 44 -12.863 5.495 -20.325 1.00 0.00 H new ATOM 0 HA ALA A 44 -11.218 7.671 -19.521 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -12.901 9.007 -20.743 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -12.385 7.582 -21.676 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -13.956 7.577 -20.839 1.00 0.00 H new ATOM 789 N LEU A 45 -13.800 7.036 -17.701 1.00 0.00 N ATOM 790 CA LEU A 45 -14.524 7.413 -16.492 1.00 0.00 C ATOM 791 C LEU A 45 -13.647 7.238 -15.256 1.00 0.00 C ATOM 792 O LEU A 45 -13.634 8.089 -14.365 1.00 0.00 O ATOM 793 CB LEU A 45 -15.795 6.574 -16.351 1.00 0.00 C ATOM 794 CG LEU A 45 -15.964 5.827 -15.028 1.00 0.00 C ATOM 795 CD1 LEU A 45 -16.389 6.785 -13.925 1.00 0.00 C ATOM 796 CD2 LEU A 45 -16.976 4.701 -15.176 1.00 0.00 C ATOM 0 H LEU A 45 -14.009 6.098 -18.042 1.00 0.00 H new ATOM 0 HA LEU A 45 -14.798 8.465 -16.576 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -16.655 7.229 -16.488 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -15.817 5.846 -17.162 1.00 0.00 H new ATOM 0 HG LEU A 45 -15.003 5.391 -14.754 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -16.505 6.236 -12.991 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -15.629 7.557 -13.801 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -17.338 7.250 -14.192 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -17.083 4.181 -14.224 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -17.940 5.115 -15.474 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -16.632 4.000 -15.936 1.00 0.00 H new ATOM 808 N LEU A 46 -12.913 6.132 -15.209 1.00 0.00 N ATOM 809 CA LEU A 46 -12.031 5.846 -14.083 1.00 0.00 C ATOM 810 C LEU A 46 -10.665 6.496 -14.283 1.00 0.00 C ATOM 811 O LEU A 46 -9.820 6.478 -13.388 1.00 0.00 O ATOM 812 CB LEU A 46 -11.868 4.335 -13.907 1.00 0.00 C ATOM 813 CG LEU A 46 -13.113 3.490 -14.181 1.00 0.00 C ATOM 814 CD1 LEU A 46 -12.740 2.024 -14.334 1.00 0.00 C ATOM 815 CD2 LEU A 46 -14.134 3.669 -13.067 1.00 0.00 C ATOM 0 H LEU A 46 -12.911 5.418 -15.938 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.484 6.263 -13.184 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.070 3.996 -14.568 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.539 4.142 -12.886 1.00 0.00 H new ATOM 0 HG LEU A 46 -13.561 3.829 -15.115 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -13.638 1.438 -14.528 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -12.046 1.910 -15.166 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -12.268 1.671 -13.417 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -15.013 3.061 -13.278 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.696 3.357 -12.119 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -14.425 4.718 -13.005 1.00 0.00 H new ATOM 827 N THR A 47 -10.457 7.071 -15.463 1.00 0.00 N ATOM 828 CA THR A 47 -9.195 7.728 -15.781 1.00 0.00 C ATOM 829 C THR A 47 -9.370 9.239 -15.874 1.00 0.00 C ATOM 830 O THR A 47 -8.656 9.998 -15.218 1.00 0.00 O ATOM 831 CB THR A 47 -8.609 7.208 -17.107 1.00 0.00 C ATOM 832 OG1 THR A 47 -8.418 5.790 -17.035 1.00 0.00 O ATOM 833 CG2 THR A 47 -7.284 7.888 -17.417 1.00 0.00 C ATOM 0 H THR A 47 -11.146 7.095 -16.215 1.00 0.00 H new ATOM 0 HA THR A 47 -8.504 7.494 -14.971 1.00 0.00 H new ATOM 0 HB THR A 47 -9.313 7.440 -17.906 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.139 5.338 -17.522 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.890 7.504 -18.358 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.438 8.964 -17.500 1.00 0.00 H new ATOM 0 HG23 THR A 47 -6.574 7.683 -16.616 1.00 0.00 H new ATOM 841 N ASP A 48 -10.324 9.670 -16.691 1.00 0.00 N ATOM 842 CA ASP A 48 -10.594 11.092 -16.869 1.00 0.00 C ATOM 843 C ASP A 48 -11.633 11.578 -15.863 1.00 0.00 C ATOM 844 O ASP A 48 -11.896 12.775 -15.758 1.00 0.00 O ATOM 845 CB ASP A 48 -11.077 11.368 -18.294 1.00 0.00 C ATOM 846 CG ASP A 48 -10.068 12.155 -19.106 1.00 0.00 C ATOM 847 OD1 ASP A 48 -9.755 13.300 -18.716 1.00 0.00 O ATOM 848 OD2 ASP A 48 -9.589 11.626 -20.131 1.00 0.00 O ATOM 0 H ASP A 48 -10.924 9.055 -17.241 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.666 11.637 -16.697 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.283 10.422 -18.794 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -12.017 11.919 -18.255 1.00 0.00 H new ATOM 853 N GLU A 49 -12.221 10.639 -15.127 1.00 0.00 N ATOM 854 CA GLU A 49 -13.233 10.972 -14.132 1.00 0.00 C ATOM 855 C GLU A 49 -12.962 10.247 -12.817 1.00 0.00 C ATOM 856 O GLU A 49 -13.863 10.069 -11.998 1.00 0.00 O ATOM 857 CB GLU A 49 -14.627 10.612 -14.649 1.00 0.00 C ATOM 858 CG GLU A 49 -15.495 11.821 -14.952 1.00 0.00 C ATOM 859 CD GLU A 49 -16.854 11.746 -14.282 1.00 0.00 C ATOM 860 OE1 GLU A 49 -16.966 12.187 -13.119 1.00 0.00 O ATOM 861 OE2 GLU A 49 -17.804 11.247 -14.920 1.00 0.00 O ATOM 0 H GLU A 49 -12.014 9.643 -15.201 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.188 12.046 -13.950 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.526 10.012 -15.553 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -15.130 9.990 -13.909 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -14.981 12.724 -14.623 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -15.630 11.906 -16.030 1.00 0.00 H new ATOM 1076 N LEU A 63 -21.419 5.845 -10.305 1.00 0.00 N ATOM 1077 CA LEU A 63 -20.666 6.146 -11.518 1.00 0.00 C ATOM 1078 C LEU A 63 -19.184 6.329 -11.208 1.00 0.00 C ATOM 1079 O LEU A 63 -18.469 7.030 -11.925 1.00 0.00 O ATOM 1080 CB LEU A 63 -21.219 7.407 -12.185 1.00 0.00 C ATOM 1081 CG LEU A 63 -21.733 8.495 -11.241 1.00 0.00 C ATOM 1082 CD1 LEU A 63 -21.249 9.865 -11.692 1.00 0.00 C ATOM 1083 CD2 LEU A 63 -23.252 8.462 -11.166 1.00 0.00 C ATOM 0 HA LEU A 63 -20.774 5.304 -12.201 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -20.436 7.836 -12.810 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -22.033 7.116 -12.849 1.00 0.00 H new ATOM 0 HG LEU A 63 -21.336 8.302 -10.244 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -21.624 10.627 -11.009 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -20.159 9.884 -11.693 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -21.616 10.068 -12.698 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -23.600 9.243 -10.490 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -23.669 8.630 -12.159 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -23.577 7.490 -10.795 1.00 0.00 H new ATOM 1095 N THR A 64 -18.726 5.692 -10.134 1.00 0.00 N ATOM 1096 CA THR A 64 -17.329 5.783 -9.729 1.00 0.00 C ATOM 1097 C THR A 64 -16.657 4.416 -9.763 1.00 0.00 C ATOM 1098 O THR A 64 -17.284 3.412 -10.102 1.00 0.00 O ATOM 1099 CB THR A 64 -17.192 6.375 -8.314 1.00 0.00 C ATOM 1100 OG1 THR A 64 -18.426 6.982 -7.915 1.00 0.00 O ATOM 1101 CG2 THR A 64 -16.075 7.407 -8.265 1.00 0.00 C ATOM 0 H THR A 64 -19.303 5.107 -9.529 1.00 0.00 H new ATOM 0 HA THR A 64 -16.836 6.445 -10.441 1.00 0.00 H new ATOM 0 HB THR A 64 -16.947 5.565 -7.627 1.00 0.00 H new ATOM 0 HG1 THR A 64 -18.331 7.354 -7.014 1.00 0.00 H new ATOM 0 HG21 THR A 64 -15.997 7.811 -7.256 1.00 0.00 H new ATOM 0 HG22 THR A 64 -15.132 6.936 -8.541 1.00 0.00 H new ATOM 0 HG23 THR A 64 -16.295 8.215 -8.963 1.00 0.00 H new ATOM 1109 N LYS A 65 -15.377 4.382 -9.408 1.00 0.00 N ATOM 1110 CA LYS A 65 -14.618 3.137 -9.396 1.00 0.00 C ATOM 1111 C LYS A 65 -15.334 2.072 -8.571 1.00 0.00 C ATOM 1112 O LYS A 65 -15.357 0.899 -8.943 1.00 0.00 O ATOM 1113 CB LYS A 65 -13.215 3.376 -8.832 1.00 0.00 C ATOM 1114 CG LYS A 65 -12.405 4.385 -9.626 1.00 0.00 C ATOM 1115 CD LYS A 65 -11.565 5.266 -8.716 1.00 0.00 C ATOM 1116 CE LYS A 65 -12.435 6.188 -7.875 1.00 0.00 C ATOM 1117 NZ LYS A 65 -12.404 5.817 -6.433 1.00 0.00 N ATOM 0 H LYS A 65 -14.843 5.203 -9.124 1.00 0.00 H new ATOM 0 HA LYS A 65 -14.534 2.782 -10.423 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -13.301 3.721 -7.802 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.676 2.429 -8.807 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.756 3.861 -10.327 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -13.076 5.007 -10.218 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -10.957 4.641 -8.062 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -10.877 5.861 -9.317 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -12.094 7.217 -7.993 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -13.462 6.149 -8.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -13.342 5.977 -6.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -12.149 4.813 -6.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.700 6.402 -5.939 1.00 0.00 H new ATOM 1131 N GLU A 66 -15.918 2.489 -7.453 1.00 0.00 N ATOM 1132 CA GLU A 66 -16.635 1.570 -6.577 1.00 0.00 C ATOM 1133 C GLU A 66 -17.707 0.806 -7.351 1.00 0.00 C ATOM 1134 O GLU A 66 -17.846 -0.408 -7.205 1.00 0.00 O ATOM 1135 CB GLU A 66 -17.276 2.332 -5.415 1.00 0.00 C ATOM 1136 CG GLU A 66 -16.303 3.224 -4.663 1.00 0.00 C ATOM 1137 CD GLU A 66 -16.947 3.923 -3.481 1.00 0.00 C ATOM 1138 OE1 GLU A 66 -17.101 3.278 -2.423 1.00 0.00 O ATOM 1139 OE2 GLU A 66 -17.296 5.115 -3.614 1.00 0.00 O ATOM 0 H GLU A 66 -15.909 3.457 -7.132 1.00 0.00 H new ATOM 0 HA GLU A 66 -15.917 0.853 -6.179 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -18.094 2.942 -5.799 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.712 1.616 -4.719 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -15.463 2.625 -4.312 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.898 3.971 -5.346 1.00 0.00 H new ATOM 1146 N ALA A 67 -18.462 1.527 -8.173 1.00 0.00 N ATOM 1147 CA ALA A 67 -19.519 0.919 -8.971 1.00 0.00 C ATOM 1148 C ALA A 67 -18.941 -0.027 -10.018 1.00 0.00 C ATOM 1149 O ALA A 67 -19.322 -1.196 -10.091 1.00 0.00 O ATOM 1150 CB ALA A 67 -20.363 1.995 -9.637 1.00 0.00 C ATOM 0 H ALA A 67 -18.361 2.534 -8.304 1.00 0.00 H new ATOM 0 HA ALA A 67 -20.154 0.336 -8.304 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -21.149 1.526 -10.230 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -20.814 2.628 -8.873 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -19.732 2.602 -10.286 1.00 0.00 H new ATOM 1156 N VAL A 68 -18.021 0.485 -10.828 1.00 0.00 N ATOM 1157 CA VAL A 68 -17.390 -0.315 -11.872 1.00 0.00 C ATOM 1158 C VAL A 68 -16.777 -1.586 -11.295 1.00 0.00 C ATOM 1159 O VAL A 68 -16.927 -2.670 -11.858 1.00 0.00 O ATOM 1160 CB VAL A 68 -16.295 0.483 -12.606 1.00 0.00 C ATOM 1161 CG1 VAL A 68 -15.578 -0.400 -13.615 1.00 0.00 C ATOM 1162 CG2 VAL A 68 -16.893 1.706 -13.284 1.00 0.00 C ATOM 0 H VAL A 68 -17.695 1.451 -10.782 1.00 0.00 H new ATOM 0 HA VAL A 68 -18.172 -0.582 -12.582 1.00 0.00 H new ATOM 0 HB VAL A 68 -15.563 0.824 -11.873 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -14.808 0.180 -14.124 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -15.116 -1.242 -13.099 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -16.295 -0.772 -14.347 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -16.106 2.258 -13.798 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -17.646 1.390 -14.006 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -17.356 2.347 -12.534 1.00 0.00 H new ATOM 1172 N ALA A 69 -16.086 -1.445 -10.168 1.00 0.00 N ATOM 1173 CA ALA A 69 -15.453 -2.582 -9.513 1.00 0.00 C ATOM 1174 C ALA A 69 -16.495 -3.536 -8.939 1.00 0.00 C ATOM 1175 O ALA A 69 -16.289 -4.749 -8.904 1.00 0.00 O ATOM 1176 CB ALA A 69 -14.512 -2.103 -8.417 1.00 0.00 C ATOM 0 H ALA A 69 -15.951 -0.554 -9.690 1.00 0.00 H new ATOM 0 HA ALA A 69 -14.875 -3.125 -10.261 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -14.046 -2.963 -7.936 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.740 -1.468 -8.852 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -15.075 -1.534 -7.677 1.00 0.00 H new ATOM 1182 N LYS A 70 -17.614 -2.980 -8.489 1.00 0.00 N ATOM 1183 CA LYS A 70 -18.690 -3.780 -7.917 1.00 0.00 C ATOM 1184 C LYS A 70 -19.254 -4.752 -8.949 1.00 0.00 C ATOM 1185 O LYS A 70 -19.388 -5.946 -8.682 1.00 0.00 O ATOM 1186 CB LYS A 70 -19.805 -2.873 -7.392 1.00 0.00 C ATOM 1187 CG LYS A 70 -21.065 -3.624 -6.996 1.00 0.00 C ATOM 1188 CD LYS A 70 -22.017 -2.739 -6.208 1.00 0.00 C ATOM 1189 CE LYS A 70 -23.138 -2.206 -7.087 1.00 0.00 C ATOM 1190 NZ LYS A 70 -22.758 -0.932 -7.759 1.00 0.00 N ATOM 0 H LYS A 70 -17.800 -1.977 -8.509 1.00 0.00 H new ATOM 0 HA LYS A 70 -18.279 -4.356 -7.088 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -19.435 -2.320 -6.529 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -20.055 -2.139 -8.158 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -21.566 -3.993 -7.891 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -20.798 -4.495 -6.398 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -22.441 -3.306 -5.379 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -21.465 -1.905 -5.774 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -23.395 -2.951 -7.840 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -24.030 -2.045 -6.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -23.446 -0.716 -8.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -22.752 -0.160 -7.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -21.810 -1.029 -8.176 1.00 0.00 H new ATOM 1204 N ILE A 71 -19.581 -4.232 -10.127 1.00 0.00 N ATOM 1205 CA ILE A 71 -20.128 -5.055 -11.199 1.00 0.00 C ATOM 1206 C ILE A 71 -19.099 -6.064 -11.697 1.00 0.00 C ATOM 1207 O ILE A 71 -19.369 -7.263 -11.759 1.00 0.00 O ATOM 1208 CB ILE A 71 -20.600 -4.193 -12.385 1.00 0.00 C ATOM 1209 CG1 ILE A 71 -21.435 -3.012 -11.885 1.00 0.00 C ATOM 1210 CG2 ILE A 71 -21.400 -5.036 -13.367 1.00 0.00 C ATOM 1211 CD1 ILE A 71 -22.637 -3.426 -11.065 1.00 0.00 C ATOM 0 H ILE A 71 -19.477 -3.245 -10.363 1.00 0.00 H new ATOM 0 HA ILE A 71 -20.984 -5.587 -10.783 1.00 0.00 H new ATOM 0 HB ILE A 71 -19.724 -3.801 -12.902 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -20.802 -2.359 -11.284 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -21.773 -2.428 -12.741 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -21.727 -4.413 -14.200 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -20.776 -5.847 -13.743 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -22.271 -5.453 -12.863 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -23.182 -2.538 -10.744 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -23.291 -4.054 -11.670 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -22.305 -3.984 -10.189 1.00 0.00 H new ATOM 1223 N VAL A 72 -17.916 -5.570 -12.049 1.00 0.00 N ATOM 1224 CA VAL A 72 -16.844 -6.429 -12.538 1.00 0.00 C ATOM 1225 C VAL A 72 -16.589 -7.588 -11.582 1.00 0.00 C ATOM 1226 O VAL A 72 -16.368 -8.722 -12.010 1.00 0.00 O ATOM 1227 CB VAL A 72 -15.535 -5.639 -12.730 1.00 0.00 C ATOM 1228 CG1 VAL A 72 -14.386 -6.580 -13.055 1.00 0.00 C ATOM 1229 CG2 VAL A 72 -15.701 -4.591 -13.821 1.00 0.00 C ATOM 0 H VAL A 72 -17.676 -4.580 -12.005 1.00 0.00 H new ATOM 0 HA VAL A 72 -17.168 -6.821 -13.502 1.00 0.00 H new ATOM 0 HB VAL A 72 -15.300 -5.126 -11.797 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -13.470 -6.004 -13.187 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -14.254 -7.289 -12.238 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -14.609 -7.123 -13.974 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -14.767 -4.042 -13.944 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -15.960 -5.081 -14.760 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -16.495 -3.898 -13.542 1.00 0.00 H new ATOM 1239 N ASP A 73 -16.621 -7.298 -10.286 1.00 0.00 N ATOM 1240 CA ASP A 73 -16.395 -8.317 -9.268 1.00 0.00 C ATOM 1241 C ASP A 73 -17.504 -9.364 -9.292 1.00 0.00 C ATOM 1242 O ASP A 73 -17.239 -10.565 -9.248 1.00 0.00 O ATOM 1243 CB ASP A 73 -16.312 -7.674 -7.883 1.00 0.00 C ATOM 1244 CG ASP A 73 -16.207 -8.702 -6.773 1.00 0.00 C ATOM 1245 OD1 ASP A 73 -15.127 -9.312 -6.631 1.00 0.00 O ATOM 1246 OD2 ASP A 73 -17.205 -8.898 -6.048 1.00 0.00 O ATOM 0 H ASP A 73 -16.801 -6.365 -9.916 1.00 0.00 H new ATOM 0 HA ASP A 73 -15.449 -8.812 -9.487 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -15.447 -7.012 -7.844 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -17.194 -7.055 -7.719 1.00 0.00 H new ATOM 1251 N ASP A 74 -18.747 -8.900 -9.360 1.00 0.00 N ATOM 1252 CA ASP A 74 -19.897 -9.796 -9.389 1.00 0.00 C ATOM 1253 C ASP A 74 -19.841 -10.713 -10.606 1.00 0.00 C ATOM 1254 O ASP A 74 -20.254 -11.872 -10.545 1.00 0.00 O ATOM 1255 CB ASP A 74 -21.198 -8.991 -9.401 1.00 0.00 C ATOM 1256 CG ASP A 74 -21.566 -8.465 -8.028 1.00 0.00 C ATOM 1257 OD1 ASP A 74 -21.622 -9.274 -7.079 1.00 0.00 O ATOM 1258 OD2 ASP A 74 -21.800 -7.244 -7.903 1.00 0.00 O ATOM 0 H ASP A 74 -18.984 -7.909 -9.396 1.00 0.00 H new ATOM 0 HA ASP A 74 -19.868 -10.412 -8.490 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -21.098 -8.154 -10.092 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -22.007 -9.619 -9.775 1.00 0.00 H new ATOM 1263 N THR A 75 -19.327 -10.188 -11.714 1.00 0.00 N ATOM 1264 CA THR A 75 -19.218 -10.958 -12.946 1.00 0.00 C ATOM 1265 C THR A 75 -18.134 -12.023 -12.835 1.00 0.00 C ATOM 1266 O THR A 75 -18.296 -13.142 -13.325 1.00 0.00 O ATOM 1267 CB THR A 75 -18.907 -10.049 -14.151 1.00 0.00 C ATOM 1268 OG1 THR A 75 -19.019 -8.674 -13.769 1.00 0.00 O ATOM 1269 CG2 THR A 75 -19.855 -10.339 -15.306 1.00 0.00 C ATOM 0 H THR A 75 -18.979 -9.232 -11.783 1.00 0.00 H new ATOM 0 HA THR A 75 -20.183 -11.441 -13.103 1.00 0.00 H new ATOM 0 HB THR A 75 -17.887 -10.252 -14.478 1.00 0.00 H new ATOM 0 HG1 THR A 75 -19.287 -8.140 -14.546 1.00 0.00 H new ATOM 0 HG21 THR A 75 -19.617 -9.686 -16.145 1.00 0.00 H new ATOM 0 HG22 THR A 75 -19.746 -11.379 -15.614 1.00 0.00 H new ATOM 0 HG23 THR A 75 -20.882 -10.160 -14.987 1.00 0.00 H new ATOM 1277 N TYR A 76 -17.028 -11.670 -12.189 1.00 0.00 N ATOM 1278 CA TYR A 76 -15.916 -12.597 -12.014 1.00 0.00 C ATOM 1279 C TYR A 76 -16.304 -13.746 -11.089 1.00 0.00 C ATOM 1280 O TYR A 76 -16.138 -14.917 -11.432 1.00 0.00 O ATOM 1281 CB TYR A 76 -14.697 -11.863 -11.452 1.00 0.00 C ATOM 1282 CG TYR A 76 -13.378 -12.450 -11.899 1.00 0.00 C ATOM 1283 CD1 TYR A 76 -12.782 -12.047 -13.087 1.00 0.00 C ATOM 1284 CD2 TYR A 76 -12.726 -13.410 -11.133 1.00 0.00 C ATOM 1285 CE1 TYR A 76 -11.577 -12.580 -13.500 1.00 0.00 C ATOM 1286 CE2 TYR A 76 -11.520 -13.948 -11.537 1.00 0.00 C ATOM 1287 CZ TYR A 76 -10.950 -13.530 -12.722 1.00 0.00 C ATOM 1288 OH TYR A 76 -9.749 -14.065 -13.128 1.00 0.00 O ATOM 0 H TYR A 76 -16.878 -10.749 -11.778 1.00 0.00 H new ATOM 0 HA TYR A 76 -15.664 -13.011 -12.990 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -14.741 -10.817 -11.756 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -14.743 -11.881 -10.363 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -13.270 -11.303 -13.699 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -13.171 -13.741 -10.206 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.128 -12.255 -14.427 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -11.026 -14.691 -10.929 1.00 0.00 H new ATOM 0 HH TYR A 76 -9.442 -14.719 -12.466 1.00 0.00 H new ATOM 1298 N ARG A 77 -16.822 -13.403 -9.914 1.00 0.00 N ATOM 1299 CA ARG A 77 -17.233 -14.404 -8.938 1.00 0.00 C ATOM 1300 C ARG A 77 -18.360 -15.271 -9.491 1.00 0.00 C ATOM 1301 O ARG A 77 -18.426 -16.471 -9.222 1.00 0.00 O ATOM 1302 CB ARG A 77 -17.684 -13.729 -7.642 1.00 0.00 C ATOM 1303 CG ARG A 77 -18.683 -12.604 -7.857 1.00 0.00 C ATOM 1304 CD ARG A 77 -20.023 -12.917 -7.210 1.00 0.00 C ATOM 1305 NE ARG A 77 -21.127 -12.811 -8.160 1.00 0.00 N ATOM 1306 CZ ARG A 77 -22.394 -12.637 -7.799 1.00 0.00 C ATOM 1307 NH1 ARG A 77 -22.714 -12.551 -6.515 1.00 0.00 N ATOM 1308 NH2 ARG A 77 -23.343 -12.549 -8.722 1.00 0.00 N ATOM 0 H ARG A 77 -16.967 -12.439 -9.615 1.00 0.00 H new ATOM 0 HA ARG A 77 -16.375 -15.043 -8.727 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -18.129 -14.479 -6.988 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -16.810 -13.333 -7.125 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -18.285 -11.678 -7.442 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -18.823 -12.440 -8.925 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -19.998 -13.924 -6.794 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -20.193 -12.233 -6.379 1.00 0.00 H new ATOM 0 HE ARG A 77 -20.914 -12.874 -9.155 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -21.987 -12.618 -5.803 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -23.687 -12.417 -6.240 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -23.101 -12.615 -9.711 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -24.315 -12.415 -8.443 1.00 0.00 H new ATOM 1322 N LYS A 78 -19.247 -14.656 -10.266 1.00 0.00 N ATOM 1323 CA LYS A 78 -20.372 -15.370 -10.859 1.00 0.00 C ATOM 1324 C LYS A 78 -19.929 -16.161 -12.085 1.00 0.00 C ATOM 1325 O LYS A 78 -20.564 -17.146 -12.463 1.00 0.00 O ATOM 1326 CB LYS A 78 -21.480 -14.388 -11.245 1.00 0.00 C ATOM 1327 CG LYS A 78 -22.593 -15.018 -12.064 1.00 0.00 C ATOM 1328 CD LYS A 78 -23.874 -14.203 -11.984 1.00 0.00 C ATOM 1329 CE LYS A 78 -23.873 -13.064 -12.993 1.00 0.00 C ATOM 1330 NZ LYS A 78 -23.941 -11.734 -12.327 1.00 0.00 N ATOM 0 H LYS A 78 -19.209 -13.664 -10.498 1.00 0.00 H new ATOM 0 HA LYS A 78 -20.758 -16.069 -10.117 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -21.906 -13.959 -10.338 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -21.044 -13.566 -11.812 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -22.278 -15.101 -13.104 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -22.782 -16.030 -11.706 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -24.731 -14.851 -12.166 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -23.988 -13.799 -10.978 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -22.971 -13.119 -13.602 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -24.721 -13.176 -13.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -23.938 -10.984 -13.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -24.814 -11.671 -11.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -23.118 -11.616 -11.702 1.00 0.00 H new ATOM 1344 N MET A 79 -18.836 -15.725 -12.703 1.00 0.00 N ATOM 1345 CA MET A 79 -18.307 -16.394 -13.885 1.00 0.00 C ATOM 1346 C MET A 79 -17.720 -17.755 -13.523 1.00 0.00 C ATOM 1347 O MET A 79 -18.129 -18.781 -14.065 1.00 0.00 O ATOM 1348 CB MET A 79 -17.239 -15.527 -14.554 1.00 0.00 C ATOM 1349 CG MET A 79 -16.452 -16.255 -15.631 1.00 0.00 C ATOM 1350 SD MET A 79 -16.146 -15.229 -17.082 1.00 0.00 S ATOM 1351 CE MET A 79 -14.643 -14.388 -16.591 1.00 0.00 C ATOM 0 H MET A 79 -18.299 -14.911 -12.404 1.00 0.00 H new ATOM 0 HA MET A 79 -19.130 -16.547 -14.583 1.00 0.00 H new ATOM 0 HB2 MET A 79 -17.717 -14.651 -14.994 1.00 0.00 H new ATOM 0 HB3 MET A 79 -16.548 -15.165 -13.793 1.00 0.00 H new ATOM 0 HG2 MET A 79 -15.499 -16.586 -15.218 1.00 0.00 H new ATOM 0 HG3 MET A 79 -16.997 -17.149 -15.932 1.00 0.00 H new ATOM 0 HE1 MET A 79 -14.442 -13.569 -17.281 1.00 0.00 H new ATOM 0 HE2 MET A 79 -14.760 -13.992 -15.582 1.00 0.00 H new ATOM 0 HE3 MET A 79 -13.810 -15.091 -16.610 1.00 0.00 H new