USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 487 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 NoAdj-H: A 26 HIS HE2 : A 26 HIS NE2 : A 66 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -137:sc= 0.111 (180deg=0) USER MOD Single : A 5 SER OG : rot -164:sc= 1.09 USER MOD Single : A 6 LYS NZ :NH3+ -108:sc= -1.19 (180deg=-3.52!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 135:sc= -0.74 (180deg=-1.8!) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 22 THR OG1 : rot -76:sc= 1.86 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 81:sc= 1.2 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 169:sc= -0.0242 (180deg=-0.178) USER MOD Single : A 48 ASN : amide:sc= -1.19 K(o=-1.2,f=-0.046) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -1.13! C(o=-1.1!,f=-7.6!) USER MOD Single : A 60 ASN : amide:sc= -0.321 X(o=-0.32,f=-0.014) USER MOD Single : A 63 LYS NZ :NH3+ -169:sc= 0.506 (180deg=0.392) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.877 -26.390 -9.714 1.00 0.00 N ATOM 2 CA GLY A 1 10.339 -26.437 -9.567 1.00 0.00 C ATOM 3 C GLY A 1 10.775 -25.612 -8.389 1.00 0.00 C ATOM 4 O GLY A 1 9.986 -25.400 -7.472 1.00 0.00 O ATOM 0 H1 GLY A 1 8.519 -27.343 -9.926 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.450 -26.048 -8.830 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.627 -25.746 -10.491 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.665 -27.469 -9.436 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.814 -26.065 -10.475 1.00 0.00 H new ATOM 10 N PRO A 2 12.021 -25.123 -8.374 1.00 0.00 N ATOM 11 CA PRO A 2 12.523 -24.274 -7.298 1.00 0.00 C ATOM 12 C PRO A 2 11.869 -22.891 -7.296 1.00 0.00 C ATOM 13 O PRO A 2 11.460 -22.376 -8.346 1.00 0.00 O ATOM 14 CB PRO A 2 14.017 -24.168 -7.603 1.00 0.00 C ATOM 15 CG PRO A 2 14.089 -24.317 -9.075 1.00 0.00 C ATOM 16 CD PRO A 2 13.045 -25.342 -9.414 1.00 0.00 C ATOM 0 HA PRO A 2 12.306 -24.687 -6.313 1.00 0.00 H new ATOM 0 HB2 PRO A 2 14.425 -23.211 -7.277 1.00 0.00 H new ATOM 0 HB3 PRO A 2 14.585 -24.946 -7.094 1.00 0.00 H new ATOM 0 HG2 PRO A 2 13.890 -23.370 -9.578 1.00 0.00 H new ATOM 0 HG3 PRO A 2 15.080 -24.644 -9.391 1.00 0.00 H new ATOM 0 HD2 PRO A 2 12.642 -25.193 -10.416 1.00 0.00 H new ATOM 0 HD3 PRO A 2 13.446 -26.355 -9.379 1.00 0.00 H new ATOM 24 N LEU A 3 11.769 -22.300 -6.121 1.00 0.00 N ATOM 25 CA LEU A 3 11.190 -20.980 -5.972 1.00 0.00 C ATOM 26 C LEU A 3 12.172 -19.949 -6.490 1.00 0.00 C ATOM 27 O LEU A 3 13.332 -19.924 -6.064 1.00 0.00 O ATOM 28 CB LEU A 3 10.891 -20.724 -4.490 1.00 0.00 C ATOM 29 CG LEU A 3 10.306 -19.361 -4.124 1.00 0.00 C ATOM 30 CD1 LEU A 3 8.911 -19.197 -4.694 1.00 0.00 C ATOM 31 CD2 LEU A 3 10.292 -19.186 -2.618 1.00 0.00 C ATOM 0 H LEU A 3 12.085 -22.720 -5.247 1.00 0.00 H new ATOM 0 HA LEU A 3 10.262 -20.911 -6.540 1.00 0.00 H new ATOM 0 HB2 LEU A 3 10.199 -21.493 -4.147 1.00 0.00 H new ATOM 0 HB3 LEU A 3 11.817 -20.856 -3.930 1.00 0.00 H new ATOM 0 HG LEU A 3 10.938 -18.588 -4.561 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.518 -18.218 -4.419 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.950 -19.280 -5.780 1.00 0.00 H new ATOM 0 HD13 LEU A 3 8.261 -19.975 -4.294 1.00 0.00 H new ATOM 0 HD21 LEU A 3 9.873 -18.211 -2.369 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.683 -19.969 -2.166 1.00 0.00 H new ATOM 0 HD23 LEU A 3 11.310 -19.252 -2.235 1.00 0.00 H new ATOM 43 N GLY A 4 11.714 -19.101 -7.398 1.00 0.00 N ATOM 44 CA GLY A 4 12.606 -18.147 -8.019 1.00 0.00 C ATOM 45 C GLY A 4 13.668 -18.850 -8.841 1.00 0.00 C ATOM 46 O GLY A 4 14.844 -18.862 -8.469 1.00 0.00 O ATOM 0 H GLY A 4 10.745 -19.057 -7.714 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.035 -17.472 -8.657 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.081 -17.535 -7.252 1.00 0.00 H new ATOM 50 N SER A 5 13.252 -19.463 -9.936 1.00 0.00 N ATOM 51 CA SER A 5 14.153 -20.212 -10.783 1.00 0.00 C ATOM 52 C SER A 5 15.132 -19.290 -11.514 1.00 0.00 C ATOM 53 O SER A 5 14.823 -18.124 -11.793 1.00 0.00 O ATOM 54 CB SER A 5 13.342 -21.056 -11.764 1.00 0.00 C ATOM 55 OG SER A 5 12.335 -20.275 -12.397 1.00 0.00 O ATOM 0 H SER A 5 12.284 -19.454 -10.258 1.00 0.00 H new ATOM 0 HA SER A 5 14.754 -20.875 -10.160 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.005 -21.481 -12.518 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.881 -21.891 -11.236 1.00 0.00 H new ATOM 0 HG SER A 5 11.676 -20.868 -12.815 1.00 0.00 H new ATOM 61 N LYS A 6 16.309 -19.814 -11.816 1.00 0.00 N ATOM 62 CA LYS A 6 17.356 -19.032 -12.433 1.00 0.00 C ATOM 63 C LYS A 6 17.272 -19.154 -13.948 1.00 0.00 C ATOM 64 O LYS A 6 17.342 -20.265 -14.487 1.00 0.00 O ATOM 65 CB LYS A 6 18.713 -19.525 -11.931 1.00 0.00 C ATOM 66 CG LYS A 6 19.901 -18.693 -12.377 1.00 0.00 C ATOM 67 CD LYS A 6 21.231 -19.219 -11.820 1.00 0.00 C ATOM 68 CE LYS A 6 21.363 -19.035 -10.303 1.00 0.00 C ATOM 69 NZ LYS A 6 20.593 -20.043 -9.522 1.00 0.00 N ATOM 0 H LYS A 6 16.560 -20.787 -11.640 1.00 0.00 H new ATOM 0 HA LYS A 6 17.236 -17.982 -12.166 1.00 0.00 H new ATOM 0 HB2 LYS A 6 18.694 -19.549 -10.841 1.00 0.00 H new ATOM 0 HB3 LYS A 6 18.859 -20.551 -12.270 1.00 0.00 H new ATOM 0 HG2 LYS A 6 19.945 -18.684 -13.466 1.00 0.00 H new ATOM 0 HG3 LYS A 6 19.759 -17.661 -12.055 1.00 0.00 H new ATOM 0 HD2 LYS A 6 21.326 -20.278 -12.061 1.00 0.00 H new ATOM 0 HD3 LYS A 6 22.054 -18.704 -12.315 1.00 0.00 H new ATOM 0 HE2 LYS A 6 22.415 -19.096 -10.026 1.00 0.00 H new ATOM 0 HE3 LYS A 6 21.020 -18.036 -10.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 19.766 -19.587 -9.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 20.274 -20.804 -10.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 21.200 -20.443 -8.778 1.00 0.00 H new ATOM 83 N TYR A 7 17.139 -18.009 -14.620 1.00 0.00 N ATOM 84 CA TYR A 7 16.976 -17.935 -16.077 1.00 0.00 C ATOM 85 C TYR A 7 15.844 -18.827 -16.575 1.00 0.00 C ATOM 86 O TYR A 7 16.077 -19.850 -17.219 1.00 0.00 O ATOM 87 CB TYR A 7 18.280 -18.243 -16.834 1.00 0.00 C ATOM 88 CG TYR A 7 19.383 -17.241 -16.603 1.00 0.00 C ATOM 89 CD1 TYR A 7 19.358 -15.997 -17.217 1.00 0.00 C ATOM 90 CD2 TYR A 7 20.445 -17.534 -15.769 1.00 0.00 C ATOM 91 CE1 TYR A 7 20.361 -15.077 -17.006 1.00 0.00 C ATOM 92 CE2 TYR A 7 21.451 -16.618 -15.550 1.00 0.00 C ATOM 93 CZ TYR A 7 21.405 -15.392 -16.172 1.00 0.00 C ATOM 94 OH TYR A 7 22.407 -14.473 -15.951 1.00 0.00 O ATOM 0 H TYR A 7 17.141 -17.096 -14.165 1.00 0.00 H new ATOM 0 HA TYR A 7 16.709 -16.901 -16.292 1.00 0.00 H new ATOM 0 HB2 TYR A 7 18.634 -19.230 -16.537 1.00 0.00 H new ATOM 0 HB3 TYR A 7 18.065 -18.289 -17.901 1.00 0.00 H new ATOM 0 HD1 TYR A 7 18.537 -15.746 -17.872 1.00 0.00 H new ATOM 0 HD2 TYR A 7 20.487 -18.496 -15.281 1.00 0.00 H new ATOM 0 HE1 TYR A 7 20.326 -14.114 -17.494 1.00 0.00 H new ATOM 0 HE2 TYR A 7 22.272 -16.862 -14.893 1.00 0.00 H new ATOM 0 HH TYR A 7 23.069 -14.852 -15.336 1.00 0.00 H new ATOM 104 N GLU A 8 14.628 -18.452 -16.251 1.00 0.00 N ATOM 105 CA GLU A 8 13.479 -19.210 -16.682 1.00 0.00 C ATOM 106 C GLU A 8 12.304 -18.282 -16.942 1.00 0.00 C ATOM 107 O GLU A 8 11.967 -17.450 -16.100 1.00 0.00 O ATOM 108 CB GLU A 8 13.122 -20.260 -15.637 1.00 0.00 C ATOM 109 CG GLU A 8 11.993 -21.188 -16.034 1.00 0.00 C ATOM 110 CD GLU A 8 11.726 -22.217 -14.971 1.00 0.00 C ATOM 111 OE1 GLU A 8 11.027 -21.900 -13.996 1.00 0.00 O ATOM 112 OE2 GLU A 8 12.239 -23.343 -15.084 1.00 0.00 O ATOM 0 H GLU A 8 14.410 -17.628 -15.691 1.00 0.00 H new ATOM 0 HA GLU A 8 13.720 -19.722 -17.613 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.008 -20.858 -15.425 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.850 -19.754 -14.711 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.089 -20.606 -16.214 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.243 -21.687 -16.970 1.00 0.00 H new ATOM 119 N CYS A 9 11.713 -18.426 -18.114 1.00 0.00 N ATOM 120 CA CYS A 9 10.565 -17.646 -18.532 1.00 0.00 C ATOM 121 C CYS A 9 9.344 -18.069 -17.725 1.00 0.00 C ATOM 122 O CYS A 9 8.895 -19.206 -17.838 1.00 0.00 O ATOM 123 CB CYS A 9 10.340 -17.904 -20.030 1.00 0.00 C ATOM 124 SG CYS A 9 8.863 -17.147 -20.785 1.00 0.00 S ATOM 0 H CYS A 9 12.024 -19.100 -18.813 1.00 0.00 H new ATOM 0 HA CYS A 9 10.734 -16.583 -18.362 1.00 0.00 H new ATOM 0 HB2 CYS A 9 11.217 -17.549 -20.571 1.00 0.00 H new ATOM 0 HB3 CYS A 9 10.285 -18.982 -20.184 1.00 0.00 H new ATOM 129 N PRO A 10 8.800 -17.172 -16.881 1.00 0.00 N ATOM 130 CA PRO A 10 7.654 -17.496 -16.022 1.00 0.00 C ATOM 131 C PRO A 10 6.402 -17.851 -16.824 1.00 0.00 C ATOM 132 O PRO A 10 5.506 -18.515 -16.318 1.00 0.00 O ATOM 133 CB PRO A 10 7.415 -16.191 -15.245 1.00 0.00 C ATOM 134 CG PRO A 10 8.707 -15.457 -15.326 1.00 0.00 C ATOM 135 CD PRO A 10 9.272 -15.793 -16.673 1.00 0.00 C ATOM 0 HA PRO A 10 7.855 -18.365 -15.395 1.00 0.00 H new ATOM 0 HB2 PRO A 10 6.603 -15.612 -15.685 1.00 0.00 H new ATOM 0 HB3 PRO A 10 7.139 -16.392 -14.210 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.556 -14.383 -15.220 1.00 0.00 H new ATOM 0 HG3 PRO A 10 9.384 -15.764 -14.528 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.906 -15.118 -17.447 1.00 0.00 H new ATOM 0 HD3 PRO A 10 10.360 -15.730 -16.684 1.00 0.00 H new ATOM 143 N ILE A 11 6.352 -17.412 -18.075 1.00 0.00 N ATOM 144 CA ILE A 11 5.224 -17.723 -18.938 1.00 0.00 C ATOM 145 C ILE A 11 5.157 -19.224 -19.262 1.00 0.00 C ATOM 146 O ILE A 11 4.088 -19.832 -19.211 1.00 0.00 O ATOM 147 CB ILE A 11 5.222 -16.868 -20.240 1.00 0.00 C ATOM 148 CG1 ILE A 11 4.976 -15.395 -19.889 1.00 0.00 C ATOM 149 CG2 ILE A 11 4.151 -17.359 -21.216 1.00 0.00 C ATOM 150 CD1 ILE A 11 5.133 -14.443 -21.056 1.00 0.00 C ATOM 0 H ILE A 11 7.077 -16.842 -18.512 1.00 0.00 H new ATOM 0 HA ILE A 11 4.325 -17.460 -18.381 1.00 0.00 H new ATOM 0 HB ILE A 11 6.194 -16.970 -20.723 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.969 -15.293 -19.485 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.668 -15.101 -19.100 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.171 -16.745 -22.117 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.348 -18.398 -21.480 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.170 -17.284 -20.747 1.00 0.00 H new ATOM 0 HD11 ILE A 11 4.942 -13.423 -20.722 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.148 -14.512 -21.448 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.422 -14.707 -21.839 1.00 0.00 H new ATOM 162 N CYS A 12 6.300 -19.820 -19.578 1.00 0.00 N ATOM 163 CA CYS A 12 6.326 -21.222 -19.988 1.00 0.00 C ATOM 164 C CYS A 12 6.839 -22.138 -18.882 1.00 0.00 C ATOM 165 O CYS A 12 6.549 -23.337 -18.874 1.00 0.00 O ATOM 166 CB CYS A 12 7.186 -21.385 -21.238 1.00 0.00 C ATOM 167 SG CYS A 12 8.895 -20.783 -21.055 1.00 0.00 S ATOM 0 H CYS A 12 7.212 -19.363 -19.560 1.00 0.00 H new ATOM 0 HA CYS A 12 5.299 -21.516 -20.205 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.212 -22.440 -21.512 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.712 -20.853 -22.063 1.00 0.00 H new ATOM 172 N LEU A 13 7.604 -21.561 -17.951 1.00 0.00 N ATOM 173 CA LEU A 13 8.251 -22.295 -16.852 1.00 0.00 C ATOM 174 C LEU A 13 9.155 -23.421 -17.369 1.00 0.00 C ATOM 175 O LEU A 13 9.410 -24.406 -16.671 1.00 0.00 O ATOM 176 CB LEU A 13 7.211 -22.847 -15.867 1.00 0.00 C ATOM 177 CG LEU A 13 6.334 -21.813 -15.160 1.00 0.00 C ATOM 178 CD1 LEU A 13 5.326 -22.510 -14.265 1.00 0.00 C ATOM 179 CD2 LEU A 13 7.189 -20.848 -14.350 1.00 0.00 C ATOM 0 H LEU A 13 7.796 -20.559 -17.936 1.00 0.00 H new ATOM 0 HA LEU A 13 8.883 -21.582 -16.322 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.561 -23.536 -16.406 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.733 -23.429 -15.108 1.00 0.00 H new ATOM 0 HG LEU A 13 5.795 -21.239 -15.914 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.706 -21.765 -13.766 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.694 -23.163 -14.868 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.852 -23.104 -13.518 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.546 -20.120 -13.855 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.753 -21.403 -13.601 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.880 -20.329 -15.014 1.00 0.00 H new ATOM 191 N MET A 14 9.641 -23.269 -18.589 1.00 0.00 N ATOM 192 CA MET A 14 10.602 -24.205 -19.136 1.00 0.00 C ATOM 193 C MET A 14 12.015 -23.679 -18.951 1.00 0.00 C ATOM 194 O MET A 14 12.819 -24.277 -18.248 1.00 0.00 O ATOM 195 CB MET A 14 10.338 -24.496 -20.616 1.00 0.00 C ATOM 196 CG MET A 14 9.035 -25.228 -20.892 1.00 0.00 C ATOM 197 SD MET A 14 8.835 -25.649 -22.640 1.00 0.00 S ATOM 198 CE MET A 14 8.640 -24.024 -23.375 1.00 0.00 C ATOM 0 H MET A 14 9.385 -22.507 -19.217 1.00 0.00 H new ATOM 0 HA MET A 14 10.492 -25.142 -18.590 1.00 0.00 H new ATOM 0 HB2 MET A 14 10.333 -23.553 -21.163 1.00 0.00 H new ATOM 0 HB3 MET A 14 11.164 -25.089 -21.009 1.00 0.00 H new ATOM 0 HG2 MET A 14 9.001 -26.140 -20.296 1.00 0.00 H new ATOM 0 HG3 MET A 14 8.198 -24.607 -20.573 1.00 0.00 H new ATOM 0 HE1 MET A 14 9.254 -23.955 -24.273 1.00 0.00 H new ATOM 0 HE2 MET A 14 7.594 -23.866 -23.637 1.00 0.00 H new ATOM 0 HE3 MET A 14 8.954 -23.262 -22.662 1.00 0.00 H new ATOM 208 N ALA A 15 12.293 -22.546 -19.585 1.00 0.00 N ATOM 209 CA ALA A 15 13.604 -21.893 -19.553 1.00 0.00 C ATOM 210 C ALA A 15 13.509 -20.614 -20.359 1.00 0.00 C ATOM 211 O ALA A 15 12.416 -20.236 -20.766 1.00 0.00 O ATOM 212 CB ALA A 15 14.674 -22.808 -20.156 1.00 0.00 C ATOM 0 H ALA A 15 11.605 -22.044 -20.146 1.00 0.00 H new ATOM 0 HA ALA A 15 13.886 -21.677 -18.522 1.00 0.00 H new ATOM 0 HB1 ALA A 15 15.641 -22.307 -20.124 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.726 -23.734 -19.583 1.00 0.00 H new ATOM 0 HB3 ALA A 15 14.417 -23.035 -21.191 1.00 0.00 H new ATOM 218 N LEU A 16 14.623 -19.944 -20.581 1.00 0.00 N ATOM 219 CA LEU A 16 14.628 -18.783 -21.453 1.00 0.00 C ATOM 220 C LEU A 16 15.128 -19.188 -22.828 1.00 0.00 C ATOM 221 O LEU A 16 16.314 -19.455 -23.015 1.00 0.00 O ATOM 222 CB LEU A 16 15.518 -17.664 -20.887 1.00 0.00 C ATOM 223 CG LEU A 16 15.089 -17.039 -19.558 1.00 0.00 C ATOM 224 CD1 LEU A 16 16.115 -16.020 -19.100 1.00 0.00 C ATOM 225 CD2 LEU A 16 13.738 -16.376 -19.702 1.00 0.00 C ATOM 0 H LEU A 16 15.529 -20.179 -20.175 1.00 0.00 H new ATOM 0 HA LEU A 16 13.609 -18.402 -21.524 1.00 0.00 H new ATOM 0 HB2 LEU A 16 16.525 -18.062 -20.764 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.577 -16.870 -21.631 1.00 0.00 H new ATOM 0 HG LEU A 16 15.018 -17.830 -18.812 1.00 0.00 H new ATOM 0 HD11 LEU A 16 15.797 -15.583 -18.153 1.00 0.00 H new ATOM 0 HD12 LEU A 16 17.080 -16.509 -18.968 1.00 0.00 H new ATOM 0 HD13 LEU A 16 16.207 -15.234 -19.849 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.445 -15.936 -18.749 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.795 -15.595 -20.460 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.998 -17.119 -20.001 1.00 0.00 H new ATOM 237 N ARG A 17 14.220 -19.255 -23.782 1.00 0.00 N ATOM 238 CA ARG A 17 14.578 -19.614 -25.147 1.00 0.00 C ATOM 239 C ARG A 17 15.393 -18.503 -25.807 1.00 0.00 C ATOM 240 O ARG A 17 16.390 -18.765 -26.468 1.00 0.00 O ATOM 241 CB ARG A 17 13.315 -19.932 -25.967 1.00 0.00 C ATOM 242 CG ARG A 17 13.580 -20.336 -27.416 1.00 0.00 C ATOM 243 CD ARG A 17 14.361 -21.635 -27.514 1.00 0.00 C ATOM 244 NE ARG A 17 14.597 -22.010 -28.909 1.00 0.00 N ATOM 245 CZ ARG A 17 15.619 -22.755 -29.353 1.00 0.00 C ATOM 246 NH1 ARG A 17 16.509 -23.253 -28.504 1.00 0.00 N ATOM 247 NH2 ARG A 17 15.741 -23.009 -30.652 1.00 0.00 N ATOM 0 H ARG A 17 13.228 -19.066 -23.640 1.00 0.00 H new ATOM 0 HA ARG A 17 15.200 -20.509 -25.115 1.00 0.00 H new ATOM 0 HB2 ARG A 17 12.771 -20.737 -25.473 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.665 -19.057 -25.961 1.00 0.00 H new ATOM 0 HG2 ARG A 17 12.631 -20.444 -27.941 1.00 0.00 H new ATOM 0 HG3 ARG A 17 14.133 -19.542 -27.918 1.00 0.00 H new ATOM 0 HD2 ARG A 17 15.315 -21.528 -26.998 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.813 -22.430 -27.009 1.00 0.00 H new ATOM 0 HE ARG A 17 13.927 -21.676 -29.602 1.00 0.00 H new ATOM 0 HH11 ARG A 17 16.419 -23.070 -27.505 1.00 0.00 H new ATOM 0 HH12 ARG A 17 17.284 -23.819 -28.851 1.00 0.00 H new ATOM 0 HH21 ARG A 17 15.057 -22.637 -31.311 1.00 0.00 H new ATOM 0 HH22 ARG A 17 16.519 -23.576 -30.990 1.00 0.00 H new ATOM 261 N GLU A 18 14.957 -17.263 -25.616 1.00 0.00 N ATOM 262 CA GLU A 18 15.676 -16.113 -26.157 1.00 0.00 C ATOM 263 C GLU A 18 16.236 -15.205 -25.082 1.00 0.00 C ATOM 264 O GLU A 18 17.106 -14.396 -25.362 1.00 0.00 O ATOM 265 CB GLU A 18 14.799 -15.316 -27.119 1.00 0.00 C ATOM 266 CG GLU A 18 14.569 -16.003 -28.449 1.00 0.00 C ATOM 267 CD GLU A 18 15.849 -16.108 -29.241 1.00 0.00 C ATOM 268 OE1 GLU A 18 16.478 -15.066 -29.502 1.00 0.00 O ATOM 269 OE2 GLU A 18 16.244 -17.226 -29.603 1.00 0.00 O ATOM 0 H GLU A 18 14.113 -17.028 -25.093 1.00 0.00 H new ATOM 0 HA GLU A 18 16.526 -16.520 -26.705 1.00 0.00 H new ATOM 0 HB2 GLU A 18 13.835 -15.128 -26.646 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.261 -14.345 -27.297 1.00 0.00 H new ATOM 0 HG2 GLU A 18 14.161 -16.999 -28.280 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.828 -15.448 -29.024 1.00 0.00 H new ATOM 276 N ALA A 19 15.739 -15.361 -23.854 1.00 0.00 N ATOM 277 CA ALA A 19 16.157 -14.537 -22.716 1.00 0.00 C ATOM 278 C ALA A 19 16.040 -13.037 -23.009 1.00 0.00 C ATOM 279 O ALA A 19 17.037 -12.342 -23.166 1.00 0.00 O ATOM 280 CB ALA A 19 17.566 -14.903 -22.255 1.00 0.00 C ATOM 0 H ALA A 19 15.036 -16.061 -23.619 1.00 0.00 H new ATOM 0 HA ALA A 19 15.468 -14.754 -21.899 1.00 0.00 H new ATOM 0 HB1 ALA A 19 17.847 -14.275 -21.410 1.00 0.00 H new ATOM 0 HB2 ALA A 19 17.589 -15.950 -21.952 1.00 0.00 H new ATOM 0 HB3 ALA A 19 18.269 -14.746 -23.073 1.00 0.00 H new ATOM 286 N VAL A 20 14.819 -12.549 -23.096 1.00 0.00 N ATOM 287 CA VAL A 20 14.598 -11.143 -23.353 1.00 0.00 C ATOM 288 C VAL A 20 14.438 -10.375 -22.050 1.00 0.00 C ATOM 289 O VAL A 20 13.531 -10.650 -21.251 1.00 0.00 O ATOM 290 CB VAL A 20 13.387 -10.869 -24.308 1.00 0.00 C ATOM 291 CG1 VAL A 20 13.632 -11.452 -25.684 1.00 0.00 C ATOM 292 CG2 VAL A 20 12.077 -11.393 -23.742 1.00 0.00 C ATOM 0 H VAL A 20 13.969 -13.103 -22.993 1.00 0.00 H new ATOM 0 HA VAL A 20 15.486 -10.785 -23.873 1.00 0.00 H new ATOM 0 HB VAL A 20 13.299 -9.786 -24.396 1.00 0.00 H new ATOM 0 HG11 VAL A 20 12.774 -11.246 -26.324 1.00 0.00 H new ATOM 0 HG12 VAL A 20 14.525 -11.001 -26.117 1.00 0.00 H new ATOM 0 HG13 VAL A 20 13.773 -12.530 -25.603 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.268 -11.179 -24.440 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.151 -12.470 -23.591 1.00 0.00 H new ATOM 0 HG23 VAL A 20 11.872 -10.906 -22.789 1.00 0.00 H new ATOM 302 N GLN A 21 15.351 -9.460 -21.804 1.00 0.00 N ATOM 303 CA GLN A 21 15.245 -8.597 -20.651 1.00 0.00 C ATOM 304 C GLN A 21 14.269 -7.470 -20.937 1.00 0.00 C ATOM 305 O GLN A 21 14.275 -6.887 -22.024 1.00 0.00 O ATOM 306 CB GLN A 21 16.609 -8.045 -20.227 1.00 0.00 C ATOM 307 CG GLN A 21 16.545 -7.116 -19.022 1.00 0.00 C ATOM 308 CD GLN A 21 17.908 -6.620 -18.588 1.00 0.00 C ATOM 309 OE1 GLN A 21 18.917 -7.310 -18.748 1.00 0.00 O ATOM 310 NE2 GLN A 21 17.950 -5.422 -18.054 1.00 0.00 N ATOM 0 H GLN A 21 16.172 -9.296 -22.386 1.00 0.00 H new ATOM 0 HA GLN A 21 14.868 -9.190 -19.818 1.00 0.00 H new ATOM 0 HB2 GLN A 21 17.273 -8.878 -19.997 1.00 0.00 H new ATOM 0 HB3 GLN A 21 17.050 -7.507 -21.066 1.00 0.00 H new ATOM 0 HG2 GLN A 21 15.912 -6.261 -19.262 1.00 0.00 H new ATOM 0 HG3 GLN A 21 16.073 -7.639 -18.191 1.00 0.00 H new ATOM 0 HE21 GLN A 21 17.091 -4.884 -17.940 1.00 0.00 H new ATOM 0 HE22 GLN A 21 18.842 -5.029 -17.753 1.00 0.00 H new ATOM 319 N THR A 22 13.414 -7.195 -19.980 1.00 0.00 N ATOM 320 CA THR A 22 12.423 -6.155 -20.105 1.00 0.00 C ATOM 321 C THR A 22 12.766 -5.006 -19.155 1.00 0.00 C ATOM 322 O THR A 22 13.383 -5.243 -18.108 1.00 0.00 O ATOM 323 CB THR A 22 11.032 -6.716 -19.745 1.00 0.00 C ATOM 324 OG1 THR A 22 11.077 -7.265 -18.424 1.00 0.00 O ATOM 325 CG2 THR A 22 10.641 -7.818 -20.712 1.00 0.00 C ATOM 0 H THR A 22 13.387 -7.690 -19.088 1.00 0.00 H new ATOM 0 HA THR A 22 12.412 -5.791 -21.132 1.00 0.00 H new ATOM 0 HB THR A 22 10.301 -5.909 -19.802 1.00 0.00 H new ATOM 0 HG1 THR A 22 11.539 -8.129 -18.444 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.657 -8.204 -20.445 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.611 -7.419 -21.726 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.373 -8.624 -20.661 1.00 0.00 H new ATOM 333 N PRO A 23 12.368 -3.755 -19.490 1.00 0.00 N ATOM 334 CA PRO A 23 12.641 -2.574 -18.643 1.00 0.00 C ATOM 335 C PRO A 23 12.084 -2.764 -17.240 1.00 0.00 C ATOM 336 O PRO A 23 12.691 -2.366 -16.245 1.00 0.00 O ATOM 337 CB PRO A 23 11.876 -1.453 -19.340 1.00 0.00 C ATOM 338 CG PRO A 23 11.762 -1.896 -20.750 1.00 0.00 C ATOM 339 CD PRO A 23 11.607 -3.385 -20.701 1.00 0.00 C ATOM 0 HA PRO A 23 13.708 -2.382 -18.534 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.894 -1.305 -18.891 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.407 -0.504 -19.265 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.906 -1.430 -21.238 1.00 0.00 H new ATOM 0 HG3 PRO A 23 12.647 -1.614 -21.321 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.560 -3.680 -20.627 1.00 0.00 H new ATOM 0 HD3 PRO A 23 12.010 -3.863 -21.594 1.00 0.00 H new ATOM 347 N CYS A 24 10.922 -3.401 -17.180 1.00 0.00 N ATOM 348 CA CYS A 24 10.213 -3.660 -15.945 1.00 0.00 C ATOM 349 C CYS A 24 11.049 -4.506 -14.970 1.00 0.00 C ATOM 350 O CYS A 24 10.940 -4.356 -13.752 1.00 0.00 O ATOM 351 CB CYS A 24 8.882 -4.351 -16.260 1.00 0.00 C ATOM 352 SG CYS A 24 7.761 -4.548 -14.844 1.00 0.00 S ATOM 0 H CYS A 24 10.441 -3.757 -18.006 1.00 0.00 H new ATOM 0 HA CYS A 24 10.022 -2.707 -15.452 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.368 -3.780 -17.033 1.00 0.00 H new ATOM 0 HB3 CYS A 24 9.092 -5.336 -16.677 1.00 0.00 H new ATOM 357 N GLY A 25 11.892 -5.371 -15.507 1.00 0.00 N ATOM 358 CA GLY A 25 12.722 -6.206 -14.660 1.00 0.00 C ATOM 359 C GLY A 25 12.308 -7.654 -14.698 1.00 0.00 C ATOM 360 O GLY A 25 12.349 -8.348 -13.687 1.00 0.00 O ATOM 0 H GLY A 25 12.018 -5.512 -16.509 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.762 -6.120 -14.976 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.670 -5.843 -13.634 1.00 0.00 H new ATOM 364 N HIS A 26 11.888 -8.108 -15.857 1.00 0.00 N ATOM 365 CA HIS A 26 11.498 -9.495 -16.035 1.00 0.00 C ATOM 366 C HIS A 26 12.269 -10.074 -17.202 1.00 0.00 C ATOM 367 O HIS A 26 12.729 -9.330 -18.077 1.00 0.00 O ATOM 368 CB HIS A 26 10.005 -9.618 -16.339 1.00 0.00 C ATOM 369 CG HIS A 26 9.100 -8.966 -15.352 1.00 0.00 C ATOM 370 ND1 HIS A 26 8.879 -9.450 -14.081 1.00 0.00 N ATOM 371 CD2 HIS A 26 8.356 -7.850 -15.460 1.00 0.00 C ATOM 372 CE1 HIS A 26 8.032 -8.657 -13.451 1.00 0.00 C ATOM 373 NE2 HIS A 26 7.698 -7.675 -14.273 1.00 0.00 N ATOM 0 H HIS A 26 11.806 -7.536 -16.697 1.00 0.00 H new ATOM 0 HA HIS A 26 11.715 -10.032 -15.111 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.814 -9.188 -17.322 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.749 -10.676 -16.399 1.00 0.00 H new ATOM 0 HD1 HIS A 26 9.304 -10.290 -13.688 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.290 -7.209 -16.326 1.00 0.00 H new ATOM 0 HE1 HIS A 26 7.674 -8.787 -12.440 1.00 0.00 H new ATOM 380 N ARG A 27 12.411 -11.373 -17.225 1.00 0.00 N ATOM 381 CA ARG A 27 13.054 -12.048 -18.332 1.00 0.00 C ATOM 382 C ARG A 27 12.093 -13.084 -18.892 1.00 0.00 C ATOM 383 O ARG A 27 11.505 -13.857 -18.134 1.00 0.00 O ATOM 384 CB ARG A 27 14.340 -12.721 -17.845 1.00 0.00 C ATOM 385 CG ARG A 27 15.413 -11.739 -17.384 1.00 0.00 C ATOM 386 CD ARG A 27 16.619 -12.466 -16.818 1.00 0.00 C ATOM 387 NE ARG A 27 17.652 -11.542 -16.341 1.00 0.00 N ATOM 388 CZ ARG A 27 18.652 -11.879 -15.519 1.00 0.00 C ATOM 389 NH1 ARG A 27 18.683 -13.086 -14.956 1.00 0.00 N ATOM 390 NH2 ARG A 27 19.589 -10.991 -15.218 1.00 0.00 N ATOM 0 H ARG A 27 12.088 -11.994 -16.483 1.00 0.00 H new ATOM 0 HA ARG A 27 13.312 -11.333 -19.113 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.098 -13.393 -17.022 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.745 -13.335 -18.649 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.722 -11.115 -18.222 1.00 0.00 H new ATOM 0 HG3 ARG A 27 14.999 -11.073 -16.627 1.00 0.00 H new ATOM 0 HD2 ARG A 27 16.301 -13.108 -15.996 1.00 0.00 H new ATOM 0 HD3 ARG A 27 17.042 -13.116 -17.584 1.00 0.00 H new ATOM 0 HE ARG A 27 17.605 -10.574 -16.658 1.00 0.00 H new ATOM 0 HH11 ARG A 27 17.942 -13.759 -15.151 1.00 0.00 H new ATOM 0 HH12 ARG A 27 19.448 -13.337 -14.330 1.00 0.00 H new ATOM 0 HH21 ARG A 27 19.547 -10.052 -15.613 1.00 0.00 H new ATOM 0 HH22 ARG A 27 20.352 -11.247 -14.591 1.00 0.00 H new ATOM 404 N PHE A 28 11.925 -13.086 -20.197 1.00 0.00 N ATOM 405 CA PHE A 28 10.983 -13.988 -20.862 1.00 0.00 C ATOM 406 C PHE A 28 11.589 -14.525 -22.147 1.00 0.00 C ATOM 407 O PHE A 28 12.726 -14.202 -22.491 1.00 0.00 O ATOM 408 CB PHE A 28 9.670 -13.266 -21.219 1.00 0.00 C ATOM 409 CG PHE A 28 8.875 -12.736 -20.060 1.00 0.00 C ATOM 410 CD1 PHE A 28 8.116 -13.584 -19.273 1.00 0.00 C ATOM 411 CD2 PHE A 28 8.866 -11.384 -19.777 1.00 0.00 C ATOM 412 CE1 PHE A 28 7.366 -13.095 -18.222 1.00 0.00 C ATOM 413 CE2 PHE A 28 8.121 -10.888 -18.729 1.00 0.00 C ATOM 414 CZ PHE A 28 7.370 -11.746 -17.949 1.00 0.00 C ATOM 0 H PHE A 28 12.431 -12.469 -20.833 1.00 0.00 H new ATOM 0 HA PHE A 28 10.772 -14.802 -20.168 1.00 0.00 H new ATOM 0 HB2 PHE A 28 9.905 -12.435 -21.884 1.00 0.00 H new ATOM 0 HB3 PHE A 28 9.040 -13.956 -21.781 1.00 0.00 H new ATOM 0 HD1 PHE A 28 8.110 -14.643 -19.484 1.00 0.00 H new ATOM 0 HD2 PHE A 28 9.450 -10.708 -20.384 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.778 -13.769 -17.616 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.124 -9.829 -18.518 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.787 -11.359 -17.126 1.00 0.00 H new ATOM 424 N CYS A 29 10.844 -15.356 -22.842 1.00 0.00 N ATOM 425 CA CYS A 29 11.220 -15.761 -24.174 1.00 0.00 C ATOM 426 C CYS A 29 10.611 -14.805 -25.191 1.00 0.00 C ATOM 427 O CYS A 29 9.535 -14.246 -24.963 1.00 0.00 O ATOM 428 CB CYS A 29 10.747 -17.170 -24.455 1.00 0.00 C ATOM 429 SG CYS A 29 11.347 -18.398 -23.267 1.00 0.00 S ATOM 0 H CYS A 29 9.973 -15.764 -22.504 1.00 0.00 H new ATOM 0 HA CYS A 29 12.307 -15.735 -24.252 1.00 0.00 H new ATOM 0 HB2 CYS A 29 9.657 -17.183 -24.456 1.00 0.00 H new ATOM 0 HB3 CYS A 29 11.071 -17.458 -25.455 1.00 0.00 H new ATOM 434 N LYS A 30 11.278 -14.652 -26.320 1.00 0.00 N ATOM 435 CA LYS A 30 10.866 -13.708 -27.358 1.00 0.00 C ATOM 436 C LYS A 30 9.596 -14.187 -28.082 1.00 0.00 C ATOM 437 O LYS A 30 9.004 -13.465 -28.875 1.00 0.00 O ATOM 438 CB LYS A 30 12.017 -13.468 -28.348 1.00 0.00 C ATOM 439 CG LYS A 30 11.744 -12.391 -29.380 1.00 0.00 C ATOM 440 CD LYS A 30 12.936 -12.150 -30.280 1.00 0.00 C ATOM 441 CE LYS A 30 12.633 -11.056 -31.289 1.00 0.00 C ATOM 442 NZ LYS A 30 13.784 -10.782 -32.174 1.00 0.00 N ATOM 0 H LYS A 30 12.122 -15.176 -26.549 1.00 0.00 H new ATOM 0 HA LYS A 30 10.623 -12.760 -26.879 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.912 -13.198 -27.787 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.235 -14.402 -28.865 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.885 -12.680 -29.986 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.479 -11.463 -28.873 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.801 -11.868 -29.679 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.197 -13.071 -30.802 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.774 -11.348 -31.893 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.357 -10.143 -30.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.533 -10.029 -32.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.597 -10.478 -31.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.032 -11.645 -32.698 1.00 0.00 H new ATOM 456 N ALA A 31 9.163 -15.390 -27.778 1.00 0.00 N ATOM 457 CA ALA A 31 7.983 -15.934 -28.415 1.00 0.00 C ATOM 458 C ALA A 31 6.873 -16.099 -27.394 1.00 0.00 C ATOM 459 O ALA A 31 5.704 -16.238 -27.745 1.00 0.00 O ATOM 460 CB ALA A 31 8.307 -17.265 -29.068 1.00 0.00 C ATOM 0 H ALA A 31 9.606 -16.008 -27.098 1.00 0.00 H new ATOM 0 HA ALA A 31 7.646 -15.243 -29.188 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.411 -17.664 -29.544 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.084 -17.122 -29.819 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.659 -17.966 -28.311 1.00 0.00 H new ATOM 466 N CYS A 32 7.239 -16.057 -26.127 1.00 0.00 N ATOM 467 CA CYS A 32 6.268 -16.102 -25.066 1.00 0.00 C ATOM 468 C CYS A 32 5.706 -14.713 -24.797 1.00 0.00 C ATOM 469 O CYS A 32 4.503 -14.486 -24.930 1.00 0.00 O ATOM 470 CB CYS A 32 6.885 -16.684 -23.797 1.00 0.00 C ATOM 471 SG CYS A 32 7.549 -18.367 -23.992 1.00 0.00 S ATOM 0 H CYS A 32 8.207 -15.992 -25.813 1.00 0.00 H new ATOM 0 HA CYS A 32 5.449 -16.751 -25.378 1.00 0.00 H new ATOM 0 HB2 CYS A 32 7.687 -16.026 -23.462 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.130 -16.693 -23.011 1.00 0.00 H new ATOM 476 N ILE A 33 6.585 -13.777 -24.445 1.00 0.00 N ATOM 477 CA ILE A 33 6.148 -12.442 -24.065 1.00 0.00 C ATOM 478 C ILE A 33 5.556 -11.668 -25.248 1.00 0.00 C ATOM 479 O ILE A 33 4.524 -11.024 -25.111 1.00 0.00 O ATOM 480 CB ILE A 33 7.261 -11.617 -23.356 1.00 0.00 C ATOM 481 CG1 ILE A 33 6.685 -10.341 -22.738 1.00 0.00 C ATOM 482 CG2 ILE A 33 8.410 -11.284 -24.298 1.00 0.00 C ATOM 483 CD1 ILE A 33 5.660 -10.595 -21.647 1.00 0.00 C ATOM 0 H ILE A 33 7.595 -13.919 -24.416 1.00 0.00 H new ATOM 0 HA ILE A 33 5.352 -12.591 -23.335 1.00 0.00 H new ATOM 0 HB ILE A 33 7.663 -12.240 -22.557 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.501 -9.748 -22.325 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.224 -9.744 -23.525 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.164 -10.708 -23.762 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.855 -12.207 -24.670 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.034 -10.699 -25.137 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.299 -9.643 -21.259 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.824 -11.160 -22.058 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.121 -11.164 -20.840 1.00 0.00 H new ATOM 495 N ILE A 34 6.178 -11.784 -26.421 1.00 0.00 N ATOM 496 CA ILE A 34 5.713 -11.066 -27.603 1.00 0.00 C ATOM 497 C ILE A 34 4.318 -11.490 -28.014 1.00 0.00 C ATOM 498 O ILE A 34 3.453 -10.650 -28.279 1.00 0.00 O ATOM 499 CB ILE A 34 6.705 -11.123 -28.796 1.00 0.00 C ATOM 500 CG1 ILE A 34 7.963 -10.309 -28.471 1.00 0.00 C ATOM 501 CG2 ILE A 34 6.062 -10.645 -30.088 1.00 0.00 C ATOM 502 CD1 ILE A 34 9.021 -10.354 -29.548 1.00 0.00 C ATOM 0 H ILE A 34 7.001 -12.366 -26.576 1.00 0.00 H new ATOM 0 HA ILE A 34 5.665 -10.018 -27.306 1.00 0.00 H new ATOM 0 HB ILE A 34 6.990 -12.164 -28.950 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.677 -9.271 -28.300 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.392 -10.679 -27.540 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.789 -10.700 -30.898 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.206 -11.277 -30.324 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.729 -9.614 -29.969 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.878 -9.754 -29.242 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.338 -11.385 -29.704 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.612 -9.956 -30.477 1.00 0.00 H new ATOM 514 N LYS A 35 4.065 -12.784 -27.984 1.00 0.00 N ATOM 515 CA LYS A 35 2.794 -13.307 -28.448 1.00 0.00 C ATOM 516 C LYS A 35 1.724 -13.098 -27.365 1.00 0.00 C ATOM 517 O LYS A 35 0.550 -13.393 -27.558 1.00 0.00 O ATOM 518 CB LYS A 35 2.947 -14.791 -28.809 1.00 0.00 C ATOM 519 CG LYS A 35 1.728 -15.429 -29.478 1.00 0.00 C ATOM 520 CD LYS A 35 1.437 -14.800 -30.838 1.00 0.00 C ATOM 521 CE LYS A 35 2.557 -15.069 -31.839 1.00 0.00 C ATOM 522 NZ LYS A 35 2.266 -14.480 -33.163 1.00 0.00 N ATOM 0 H LYS A 35 4.719 -13.490 -27.645 1.00 0.00 H new ATOM 0 HA LYS A 35 2.477 -12.773 -29.344 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.804 -14.900 -29.473 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.175 -15.348 -27.900 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.898 -16.499 -29.601 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.858 -15.317 -28.831 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.499 -15.195 -31.228 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.306 -13.724 -30.720 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.492 -14.659 -31.457 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.700 -16.145 -31.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.051 -14.685 -33.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.387 -14.890 -33.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.155 -13.450 -33.068 1.00 0.00 H new ATOM 536 N SER A 36 2.140 -12.538 -26.243 1.00 0.00 N ATOM 537 CA SER A 36 1.224 -12.212 -25.181 1.00 0.00 C ATOM 538 C SER A 36 0.973 -10.698 -25.128 1.00 0.00 C ATOM 539 O SER A 36 -0.058 -10.252 -24.621 1.00 0.00 O ATOM 540 CB SER A 36 1.784 -12.702 -23.845 1.00 0.00 C ATOM 541 OG SER A 36 2.022 -14.104 -23.880 1.00 0.00 O ATOM 0 H SER A 36 3.113 -12.301 -26.050 1.00 0.00 H new ATOM 0 HA SER A 36 0.274 -12.709 -25.374 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.712 -12.177 -23.620 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.083 -12.468 -23.044 1.00 0.00 H new ATOM 0 HG SER A 36 2.875 -14.280 -24.329 1.00 0.00 H new ATOM 547 N ILE A 37 1.889 -9.905 -25.698 1.00 0.00 N ATOM 548 CA ILE A 37 1.761 -8.452 -25.612 1.00 0.00 C ATOM 549 C ILE A 37 1.274 -7.816 -26.911 1.00 0.00 C ATOM 550 O ILE A 37 0.688 -6.740 -26.889 1.00 0.00 O ATOM 551 CB ILE A 37 3.064 -7.748 -25.142 1.00 0.00 C ATOM 552 CG1 ILE A 37 4.225 -8.045 -26.095 1.00 0.00 C ATOM 553 CG2 ILE A 37 3.408 -8.144 -23.710 1.00 0.00 C ATOM 554 CD1 ILE A 37 5.489 -7.273 -25.785 1.00 0.00 C ATOM 0 H ILE A 37 2.706 -10.237 -26.211 1.00 0.00 H new ATOM 0 HA ILE A 37 0.999 -8.296 -24.849 1.00 0.00 H new ATOM 0 HB ILE A 37 2.892 -6.672 -25.159 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.446 -9.112 -26.061 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.913 -7.816 -27.114 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.324 -7.639 -23.403 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.593 -7.854 -23.047 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.553 -9.223 -23.656 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.264 -7.539 -26.504 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.287 -6.204 -25.848 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.828 -7.519 -24.779 1.00 0.00 H new ATOM 566 N ARG A 38 1.492 -8.477 -28.041 1.00 0.00 N ATOM 567 CA ARG A 38 0.992 -7.934 -29.304 1.00 0.00 C ATOM 568 C ARG A 38 -0.312 -8.605 -29.700 1.00 0.00 C ATOM 569 O ARG A 38 -0.899 -8.287 -30.728 1.00 0.00 O ATOM 570 CB ARG A 38 2.028 -8.048 -30.434 1.00 0.00 C ATOM 571 CG ARG A 38 2.356 -9.465 -30.863 1.00 0.00 C ATOM 572 CD ARG A 38 3.362 -9.470 -31.999 1.00 0.00 C ATOM 573 NE ARG A 38 2.809 -8.900 -33.231 1.00 0.00 N ATOM 574 CZ ARG A 38 3.507 -8.167 -34.108 1.00 0.00 C ATOM 575 NH1 ARG A 38 4.759 -7.811 -33.843 1.00 0.00 N ATOM 576 NH2 ARG A 38 2.935 -7.761 -35.244 1.00 0.00 N ATOM 0 H ARG A 38 1.995 -9.362 -28.114 1.00 0.00 H new ATOM 0 HA ARG A 38 0.804 -6.872 -29.146 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.660 -7.498 -31.300 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.948 -7.559 -30.113 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.756 -10.022 -30.016 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.445 -9.974 -31.177 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.245 -8.903 -31.703 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.688 -10.493 -32.188 1.00 0.00 H new ATOM 0 HE ARG A 38 1.825 -9.074 -33.434 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.196 -8.096 -32.966 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.284 -7.253 -34.516 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.966 -8.009 -35.444 1.00 0.00 H new ATOM 0 HH22 ARG A 38 3.467 -7.203 -35.912 1.00 0.00 H new ATOM 590 N ASP A 39 -0.767 -9.524 -28.867 1.00 0.00 N ATOM 591 CA ASP A 39 -1.977 -10.281 -29.158 1.00 0.00 C ATOM 592 C ASP A 39 -3.079 -9.997 -28.143 1.00 0.00 C ATOM 593 O ASP A 39 -4.230 -9.772 -28.516 1.00 0.00 O ATOM 594 CB ASP A 39 -1.670 -11.778 -29.218 1.00 0.00 C ATOM 595 CG ASP A 39 -2.892 -12.626 -29.499 1.00 0.00 C ATOM 596 OD1 ASP A 39 -3.469 -12.513 -30.600 1.00 0.00 O ATOM 597 OD2 ASP A 39 -3.265 -13.434 -28.626 1.00 0.00 O ATOM 0 H ASP A 39 -0.319 -9.766 -27.983 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.342 -9.959 -30.133 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.924 -11.959 -29.992 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.229 -12.090 -28.271 1.00 0.00 H new ATOM 602 N ALA A 40 -2.734 -10.014 -26.866 1.00 0.00 N ATOM 603 CA ALA A 40 -3.699 -9.696 -25.823 1.00 0.00 C ATOM 604 C ALA A 40 -3.635 -8.211 -25.458 1.00 0.00 C ATOM 605 O ALA A 40 -4.560 -7.443 -25.743 1.00 0.00 O ATOM 606 CB ALA A 40 -3.475 -10.573 -24.595 1.00 0.00 C ATOM 0 H ALA A 40 -1.800 -10.243 -26.527 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.698 -9.904 -26.207 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.207 -10.319 -23.828 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.588 -11.621 -24.871 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.470 -10.406 -24.207 1.00 0.00 H new ATOM 612 N GLY A 41 -2.532 -7.818 -24.846 1.00 0.00 N ATOM 613 CA GLY A 41 -2.330 -6.443 -24.457 1.00 0.00 C ATOM 614 C GLY A 41 -0.889 -6.212 -24.090 1.00 0.00 C ATOM 615 O GLY A 41 -0.170 -7.171 -23.798 1.00 0.00 O ATOM 0 H GLY A 41 -1.760 -8.441 -24.608 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.615 -5.781 -25.274 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.972 -6.199 -23.610 1.00 0.00 H new ATOM 619 N HIS A 42 -0.462 -4.970 -24.066 1.00 0.00 N ATOM 620 CA HIS A 42 0.947 -4.663 -23.851 1.00 0.00 C ATOM 621 C HIS A 42 1.282 -4.587 -22.372 1.00 0.00 C ATOM 622 O HIS A 42 1.432 -3.505 -21.813 1.00 0.00 O ATOM 623 CB HIS A 42 1.348 -3.356 -24.545 1.00 0.00 C ATOM 624 CG HIS A 42 1.236 -3.387 -26.034 1.00 0.00 C ATOM 625 ND1 HIS A 42 0.196 -2.804 -26.714 1.00 0.00 N ATOM 626 CD2 HIS A 42 2.044 -3.919 -26.977 1.00 0.00 C ATOM 627 CE1 HIS A 42 0.363 -2.972 -28.004 1.00 0.00 C ATOM 628 NE2 HIS A 42 1.475 -3.645 -28.194 1.00 0.00 N ATOM 0 H HIS A 42 -1.061 -4.154 -24.191 1.00 0.00 H new ATOM 0 HA HIS A 42 1.518 -5.480 -24.292 1.00 0.00 H new ATOM 0 HB2 HIS A 42 0.722 -2.549 -24.163 1.00 0.00 H new ATOM 0 HB3 HIS A 42 2.377 -3.117 -24.275 1.00 0.00 H new ATOM 0 HD2 HIS A 42 2.964 -4.458 -26.805 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -0.301 -2.617 -28.778 1.00 0.00 H new ATOM 0 HE2 HIS A 42 1.854 -3.919 -29.100 1.00 0.00 H new ATOM 637 N LYS A 43 1.385 -5.737 -21.741 1.00 0.00 N ATOM 638 CA LYS A 43 1.683 -5.813 -20.327 1.00 0.00 C ATOM 639 C LYS A 43 2.352 -7.135 -19.981 1.00 0.00 C ATOM 640 O LYS A 43 2.035 -8.174 -20.580 1.00 0.00 O ATOM 641 CB LYS A 43 0.388 -5.647 -19.512 1.00 0.00 C ATOM 642 CG LYS A 43 -0.690 -6.667 -19.860 1.00 0.00 C ATOM 643 CD LYS A 43 -1.969 -6.428 -19.080 1.00 0.00 C ATOM 644 CE LYS A 43 -3.052 -7.426 -19.475 1.00 0.00 C ATOM 645 NZ LYS A 43 -2.658 -8.828 -19.197 1.00 0.00 N ATOM 0 H LYS A 43 1.265 -6.644 -22.193 1.00 0.00 H new ATOM 0 HA LYS A 43 2.374 -5.008 -20.077 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.624 -5.729 -18.451 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.007 -4.644 -19.674 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.902 -6.620 -20.928 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.320 -7.671 -19.652 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.767 -6.510 -18.012 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.323 -5.413 -19.260 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.970 -7.195 -18.934 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.272 -7.317 -20.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.485 -9.449 -19.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.917 -9.119 -19.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.295 -8.900 -18.225 1.00 0.00 H new ATOM 659 N CYS A 44 3.278 -7.109 -19.034 1.00 0.00 N ATOM 660 CA CYS A 44 3.810 -8.340 -18.502 1.00 0.00 C ATOM 661 C CYS A 44 2.796 -8.937 -17.528 1.00 0.00 C ATOM 662 O CYS A 44 2.393 -8.286 -16.566 1.00 0.00 O ATOM 663 CB CYS A 44 5.206 -8.129 -17.868 1.00 0.00 C ATOM 664 SG CYS A 44 5.434 -6.546 -16.988 1.00 0.00 S ATOM 0 H CYS A 44 3.668 -6.259 -18.627 1.00 0.00 H new ATOM 0 HA CYS A 44 3.966 -9.054 -19.311 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.396 -8.944 -17.170 1.00 0.00 H new ATOM 0 HB3 CYS A 44 5.958 -8.200 -18.654 1.00 0.00 H new ATOM 669 N PRO A 45 2.378 -10.192 -17.768 1.00 0.00 N ATOM 670 CA PRO A 45 1.213 -10.805 -17.090 1.00 0.00 C ATOM 671 C PRO A 45 1.370 -10.931 -15.579 1.00 0.00 C ATOM 672 O PRO A 45 0.384 -10.987 -14.841 1.00 0.00 O ATOM 673 CB PRO A 45 1.118 -12.192 -17.736 1.00 0.00 C ATOM 674 CG PRO A 45 2.490 -12.459 -18.250 1.00 0.00 C ATOM 675 CD PRO A 45 3.006 -11.134 -18.714 1.00 0.00 C ATOM 0 HA PRO A 45 0.322 -10.188 -17.210 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.812 -12.947 -17.012 1.00 0.00 H new ATOM 0 HB3 PRO A 45 0.383 -12.205 -18.541 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.127 -12.877 -17.471 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.470 -13.181 -19.067 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.094 -11.086 -18.671 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.718 -10.926 -19.744 1.00 0.00 H new ATOM 683 N VAL A 46 2.600 -10.980 -15.130 1.00 0.00 N ATOM 684 CA VAL A 46 2.894 -11.140 -13.728 1.00 0.00 C ATOM 685 C VAL A 46 2.468 -9.925 -12.872 1.00 0.00 C ATOM 686 O VAL A 46 1.843 -10.091 -11.827 1.00 0.00 O ATOM 687 CB VAL A 46 4.386 -11.517 -13.504 1.00 0.00 C ATOM 688 CG1 VAL A 46 5.311 -10.514 -14.163 1.00 0.00 C ATOM 689 CG2 VAL A 46 4.715 -11.667 -12.027 1.00 0.00 C ATOM 0 H VAL A 46 3.425 -10.910 -15.726 1.00 0.00 H new ATOM 0 HA VAL A 46 2.283 -11.972 -13.378 1.00 0.00 H new ATOM 0 HB VAL A 46 4.546 -12.486 -13.976 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.347 -10.805 -13.989 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.117 -10.490 -15.235 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.136 -9.525 -13.740 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.767 -11.931 -11.913 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.519 -10.726 -11.513 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.095 -12.452 -11.594 1.00 0.00 H new ATOM 699 N ASP A 47 2.785 -8.720 -13.321 1.00 0.00 N ATOM 700 CA ASP A 47 2.517 -7.518 -12.519 1.00 0.00 C ATOM 701 C ASP A 47 1.755 -6.445 -13.298 1.00 0.00 C ATOM 702 O ASP A 47 1.602 -5.329 -12.814 1.00 0.00 O ATOM 703 CB ASP A 47 3.829 -6.930 -11.975 1.00 0.00 C ATOM 704 CG ASP A 47 4.801 -6.528 -13.067 1.00 0.00 C ATOM 705 OD1 ASP A 47 4.618 -6.914 -14.220 1.00 0.00 O ATOM 706 OD2 ASP A 47 5.776 -5.821 -12.791 1.00 0.00 O ATOM 0 H ASP A 47 3.223 -8.541 -14.224 1.00 0.00 H new ATOM 0 HA ASP A 47 1.882 -7.832 -11.691 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.602 -6.059 -11.361 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.306 -7.663 -11.325 1.00 0.00 H new ATOM 711 N ASN A 48 1.314 -6.791 -14.502 1.00 0.00 N ATOM 712 CA ASN A 48 0.536 -5.916 -15.411 1.00 0.00 C ATOM 713 C ASN A 48 1.179 -4.562 -15.706 1.00 0.00 C ATOM 714 O ASN A 48 0.494 -3.547 -15.828 1.00 0.00 O ATOM 715 CB ASN A 48 -0.995 -5.821 -15.092 1.00 0.00 C ATOM 716 CG ASN A 48 -1.404 -5.195 -13.754 1.00 0.00 C ATOM 717 OD1 ASN A 48 -2.333 -5.680 -13.104 1.00 0.00 O ATOM 718 ND2 ASN A 48 -0.783 -4.099 -13.362 1.00 0.00 N ATOM 0 H ASN A 48 1.487 -7.715 -14.897 1.00 0.00 H new ATOM 0 HA ASN A 48 0.584 -6.457 -16.356 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -1.469 -5.249 -15.889 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -1.410 -6.828 -15.132 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.068 -3.631 -12.502 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.018 -3.720 -13.919 1.00 0.00 H new ATOM 725 N GLU A 49 2.486 -4.563 -15.846 1.00 0.00 N ATOM 726 CA GLU A 49 3.207 -3.375 -16.268 1.00 0.00 C ATOM 727 C GLU A 49 3.244 -3.290 -17.774 1.00 0.00 C ATOM 728 O GLU A 49 3.384 -4.305 -18.448 1.00 0.00 O ATOM 729 CB GLU A 49 4.621 -3.356 -15.708 1.00 0.00 C ATOM 730 CG GLU A 49 4.705 -2.996 -14.242 1.00 0.00 C ATOM 731 CD GLU A 49 4.272 -1.570 -14.001 1.00 0.00 C ATOM 732 OE1 GLU A 49 4.724 -0.674 -14.742 1.00 0.00 O ATOM 733 OE2 GLU A 49 3.463 -1.328 -13.091 1.00 0.00 O ATOM 0 H GLU A 49 3.077 -5.376 -15.674 1.00 0.00 H new ATOM 0 HA GLU A 49 2.677 -2.507 -15.875 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.071 -4.338 -15.855 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.216 -2.644 -16.280 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.076 -3.672 -13.663 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.728 -3.132 -13.890 1.00 0.00 H new ATOM 740 N ILE A 50 3.122 -2.083 -18.296 1.00 0.00 N ATOM 741 CA ILE A 50 3.076 -1.872 -19.735 1.00 0.00 C ATOM 742 C ILE A 50 4.413 -2.235 -20.373 1.00 0.00 C ATOM 743 O ILE A 50 5.468 -1.692 -20.011 1.00 0.00 O ATOM 744 CB ILE A 50 2.710 -0.407 -20.079 1.00 0.00 C ATOM 745 CG1 ILE A 50 1.330 -0.042 -19.503 1.00 0.00 C ATOM 746 CG2 ILE A 50 2.746 -0.164 -21.586 1.00 0.00 C ATOM 747 CD1 ILE A 50 0.188 -0.893 -20.024 1.00 0.00 C ATOM 0 H ILE A 50 3.053 -1.229 -17.743 1.00 0.00 H new ATOM 0 HA ILE A 50 2.300 -2.523 -20.138 1.00 0.00 H new ATOM 0 HB ILE A 50 3.458 0.239 -19.620 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.368 -0.132 -18.417 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.120 1.003 -19.729 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.484 0.874 -21.794 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.748 -0.368 -21.964 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.031 -0.824 -22.078 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.746 -0.568 -19.566 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.119 -0.786 -21.106 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.370 -1.938 -19.774 1.00 0.00 H new ATOM 759 N LEU A 51 4.366 -3.166 -21.298 1.00 0.00 N ATOM 760 CA LEU A 51 5.550 -3.655 -21.959 1.00 0.00 C ATOM 761 C LEU A 51 5.369 -3.687 -23.474 1.00 0.00 C ATOM 762 O LEU A 51 4.354 -4.170 -23.981 1.00 0.00 O ATOM 763 CB LEU A 51 5.901 -5.045 -21.434 1.00 0.00 C ATOM 764 CG LEU A 51 7.118 -5.715 -22.061 1.00 0.00 C ATOM 765 CD1 LEU A 51 8.375 -4.888 -21.826 1.00 0.00 C ATOM 766 CD2 LEU A 51 7.284 -7.110 -21.499 1.00 0.00 C ATOM 0 H LEU A 51 3.501 -3.606 -21.613 1.00 0.00 H new ATOM 0 HA LEU A 51 6.370 -2.971 -21.739 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.066 -4.973 -20.359 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.038 -5.695 -21.582 1.00 0.00 H new ATOM 0 HG LEU A 51 6.961 -5.785 -23.137 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.230 -5.387 -22.283 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.250 -3.901 -22.272 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.546 -4.783 -20.755 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.156 -7.583 -21.951 1.00 0.00 H new ATOM 0 HD22 LEU A 51 7.421 -7.053 -20.419 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.395 -7.700 -21.721 1.00 0.00 H new ATOM 778 N LEU A 52 6.352 -3.165 -24.186 1.00 0.00 N ATOM 779 CA LEU A 52 6.343 -3.167 -25.642 1.00 0.00 C ATOM 780 C LEU A 52 7.409 -4.114 -26.177 1.00 0.00 C ATOM 781 O LEU A 52 8.386 -4.412 -25.488 1.00 0.00 O ATOM 782 CB LEU A 52 6.581 -1.757 -26.224 1.00 0.00 C ATOM 783 CG LEU A 52 5.545 -0.656 -25.929 1.00 0.00 C ATOM 784 CD1 LEU A 52 4.140 -1.111 -26.262 1.00 0.00 C ATOM 785 CD2 LEU A 52 5.640 -0.153 -24.499 1.00 0.00 C ATOM 0 H LEU A 52 7.177 -2.729 -23.775 1.00 0.00 H new ATOM 0 HA LEU A 52 5.354 -3.504 -25.954 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.548 -1.408 -25.862 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.662 -1.855 -27.307 1.00 0.00 H new ATOM 0 HG LEU A 52 5.782 0.185 -26.581 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.436 -0.309 -26.041 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.081 -1.365 -27.320 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.890 -1.988 -25.664 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.891 0.622 -24.335 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.463 -0.979 -23.810 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.634 0.260 -24.324 1.00 0.00 H new ATOM 797 N GLU A 53 7.227 -4.557 -27.412 1.00 0.00 N ATOM 798 CA GLU A 53 8.148 -5.483 -28.079 1.00 0.00 C ATOM 799 C GLU A 53 9.516 -4.835 -28.229 1.00 0.00 C ATOM 800 O GLU A 53 10.554 -5.474 -28.067 1.00 0.00 O ATOM 801 CB GLU A 53 7.628 -5.799 -29.481 1.00 0.00 C ATOM 802 CG GLU A 53 6.335 -6.590 -29.537 1.00 0.00 C ATOM 803 CD GLU A 53 5.871 -6.790 -30.963 1.00 0.00 C ATOM 804 OE1 GLU A 53 5.167 -5.901 -31.494 1.00 0.00 O ATOM 805 OE2 GLU A 53 6.213 -7.820 -31.574 1.00 0.00 O ATOM 0 H GLU A 53 6.431 -4.285 -27.989 1.00 0.00 H new ATOM 0 HA GLU A 53 8.222 -6.391 -27.480 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.482 -4.860 -30.015 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.397 -6.355 -30.018 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.479 -7.560 -29.060 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.563 -6.068 -28.971 1.00 0.00 H new ATOM 812 N ASN A 54 9.501 -3.553 -28.518 1.00 0.00 N ATOM 813 CA ASN A 54 10.712 -2.807 -28.821 1.00 0.00 C ATOM 814 C ASN A 54 11.512 -2.480 -27.570 1.00 0.00 C ATOM 815 O ASN A 54 12.616 -1.949 -27.655 1.00 0.00 O ATOM 816 CB ASN A 54 10.370 -1.530 -29.593 1.00 0.00 C ATOM 817 CG ASN A 54 9.655 -1.819 -30.899 1.00 0.00 C ATOM 818 OD1 ASN A 54 8.426 -1.813 -30.962 1.00 0.00 O ATOM 819 ND2 ASN A 54 10.406 -2.072 -31.944 1.00 0.00 N ATOM 0 H ASN A 54 8.649 -2.993 -28.551 1.00 0.00 H new ATOM 0 HA ASN A 54 11.340 -3.442 -29.445 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.743 -0.890 -28.972 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.286 -0.976 -29.798 1.00 0.00 H new ATOM 0 HD21 ASN A 54 9.974 -2.272 -32.846 1.00 0.00 H new ATOM 0 HD22 ASN A 54 11.422 -2.068 -31.855 1.00 0.00 H new ATOM 826 N GLN A 55 10.958 -2.793 -26.410 1.00 0.00 N ATOM 827 CA GLN A 55 11.655 -2.546 -25.155 1.00 0.00 C ATOM 828 C GLN A 55 12.515 -3.735 -24.754 1.00 0.00 C ATOM 829 O GLN A 55 13.277 -3.663 -23.789 1.00 0.00 O ATOM 830 CB GLN A 55 10.685 -2.234 -24.027 1.00 0.00 C ATOM 831 CG GLN A 55 9.890 -0.965 -24.199 1.00 0.00 C ATOM 832 CD GLN A 55 9.029 -0.684 -22.992 1.00 0.00 C ATOM 833 OE1 GLN A 55 7.940 -1.226 -22.847 1.00 0.00 O ATOM 834 NE2 GLN A 55 9.505 0.173 -22.123 1.00 0.00 N ATOM 0 H GLN A 55 10.035 -3.215 -26.309 1.00 0.00 H new ATOM 0 HA GLN A 55 12.295 -1.680 -25.322 1.00 0.00 H new ATOM 0 HB2 GLN A 55 9.991 -3.068 -23.925 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.245 -2.170 -23.094 1.00 0.00 H new ATOM 0 HG2 GLN A 55 10.569 -0.129 -24.365 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.261 -1.046 -25.085 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.416 0.604 -22.278 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.964 0.409 -21.291 1.00 0.00 H new ATOM 843 N LEU A 56 12.374 -4.826 -25.479 1.00 0.00 N ATOM 844 CA LEU A 56 13.066 -6.063 -25.151 1.00 0.00 C ATOM 845 C LEU A 56 14.551 -5.974 -25.475 1.00 0.00 C ATOM 846 O LEU A 56 14.952 -5.290 -26.420 1.00 0.00 O ATOM 847 CB LEU A 56 12.457 -7.238 -25.922 1.00 0.00 C ATOM 848 CG LEU A 56 10.963 -7.499 -25.715 1.00 0.00 C ATOM 849 CD1 LEU A 56 10.508 -8.669 -26.561 1.00 0.00 C ATOM 850 CD2 LEU A 56 10.646 -7.742 -24.252 1.00 0.00 C ATOM 0 H LEU A 56 11.782 -4.884 -26.307 1.00 0.00 H new ATOM 0 HA LEU A 56 12.950 -6.224 -24.079 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.629 -7.072 -26.986 1.00 0.00 H new ATOM 0 HB3 LEU A 56 13.001 -8.142 -25.649 1.00 0.00 H new ATOM 0 HG LEU A 56 10.419 -6.609 -26.031 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.443 -8.841 -26.402 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.686 -8.448 -27.613 1.00 0.00 H new ATOM 0 HD13 LEU A 56 11.066 -9.562 -26.278 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.578 -7.924 -24.137 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.202 -8.610 -23.898 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.930 -6.867 -23.668 1.00 0.00 H new ATOM 862 N PHE A 57 15.355 -6.645 -24.671 1.00 0.00 N ATOM 863 CA PHE A 57 16.779 -6.815 -24.943 1.00 0.00 C ATOM 864 C PHE A 57 17.076 -8.307 -25.154 1.00 0.00 C ATOM 865 O PHE A 57 17.480 -9.000 -24.215 1.00 0.00 O ATOM 866 CB PHE A 57 17.630 -6.278 -23.783 1.00 0.00 C ATOM 867 CG PHE A 57 17.483 -4.807 -23.515 1.00 0.00 C ATOM 868 CD1 PHE A 57 18.236 -3.886 -24.222 1.00 0.00 C ATOM 869 CD2 PHE A 57 16.604 -4.348 -22.546 1.00 0.00 C ATOM 870 CE1 PHE A 57 18.117 -2.534 -23.971 1.00 0.00 C ATOM 871 CE2 PHE A 57 16.479 -2.995 -22.293 1.00 0.00 C ATOM 872 CZ PHE A 57 17.237 -2.086 -23.006 1.00 0.00 C ATOM 0 H PHE A 57 15.043 -7.090 -23.808 1.00 0.00 H new ATOM 0 HA PHE A 57 17.033 -6.251 -25.840 1.00 0.00 H new ATOM 0 HB2 PHE A 57 17.369 -6.825 -22.877 1.00 0.00 H new ATOM 0 HB3 PHE A 57 18.678 -6.491 -23.993 1.00 0.00 H new ATOM 0 HD1 PHE A 57 18.925 -4.229 -24.979 1.00 0.00 H new ATOM 0 HD2 PHE A 57 16.011 -5.054 -21.984 1.00 0.00 H new ATOM 0 HE1 PHE A 57 18.712 -1.827 -24.529 1.00 0.00 H new ATOM 0 HE2 PHE A 57 15.789 -2.648 -21.538 1.00 0.00 H new ATOM 0 HZ PHE A 57 17.141 -1.028 -22.809 1.00 0.00 H new ATOM 882 N PRO A 58 16.788 -8.830 -26.364 1.00 0.00 N ATOM 883 CA PRO A 58 16.934 -10.263 -26.691 1.00 0.00 C ATOM 884 C PRO A 58 18.366 -10.808 -26.632 1.00 0.00 C ATOM 885 O PRO A 58 18.596 -11.912 -26.145 1.00 0.00 O ATOM 886 CB PRO A 58 16.411 -10.350 -28.130 1.00 0.00 C ATOM 887 CG PRO A 58 15.564 -9.140 -28.285 1.00 0.00 C ATOM 888 CD PRO A 58 16.286 -8.077 -27.522 1.00 0.00 C ATOM 0 HA PRO A 58 16.400 -10.866 -25.957 1.00 0.00 H new ATOM 0 HB2 PRO A 58 17.229 -10.359 -28.851 1.00 0.00 H new ATOM 0 HB3 PRO A 58 15.836 -11.262 -28.290 1.00 0.00 H new ATOM 0 HG2 PRO A 58 15.450 -8.867 -29.334 1.00 0.00 H new ATOM 0 HG3 PRO A 58 14.562 -9.303 -27.887 1.00 0.00 H new ATOM 0 HD2 PRO A 58 17.094 -7.633 -28.103 1.00 0.00 H new ATOM 0 HD3 PRO A 58 15.623 -7.264 -27.226 1.00 0.00 H new ATOM 896 N ASP A 59 19.327 -10.050 -27.127 1.00 0.00 N ATOM 897 CA ASP A 59 20.654 -10.622 -27.308 1.00 0.00 C ATOM 898 C ASP A 59 21.702 -9.956 -26.450 1.00 0.00 C ATOM 899 O ASP A 59 22.373 -9.007 -26.872 1.00 0.00 O ATOM 900 CB ASP A 59 21.076 -10.622 -28.778 1.00 0.00 C ATOM 901 CG ASP A 59 22.355 -11.404 -29.012 1.00 0.00 C ATOM 902 OD1 ASP A 59 22.439 -12.565 -28.569 1.00 0.00 O ATOM 903 OD2 ASP A 59 23.281 -10.878 -29.664 1.00 0.00 O ATOM 0 H ASP A 59 19.225 -9.073 -27.403 1.00 0.00 H new ATOM 0 HA ASP A 59 20.581 -11.657 -26.975 1.00 0.00 H new ATOM 0 HB2 ASP A 59 20.276 -11.049 -29.383 1.00 0.00 H new ATOM 0 HB3 ASP A 59 21.215 -9.594 -29.113 1.00 0.00 H new ATOM 908 N ASN A 60 21.808 -10.434 -25.233 1.00 0.00 N ATOM 909 CA ASN A 60 22.882 -10.042 -24.327 1.00 0.00 C ATOM 910 C ASN A 60 23.110 -11.130 -23.283 1.00 0.00 C ATOM 911 O ASN A 60 23.849 -10.944 -22.315 1.00 0.00 O ATOM 912 CB ASN A 60 22.609 -8.674 -23.665 1.00 0.00 C ATOM 913 CG ASN A 60 21.386 -8.663 -22.776 1.00 0.00 C ATOM 914 OD1 ASN A 60 21.474 -8.896 -21.570 1.00 0.00 O ATOM 915 ND2 ASN A 60 20.244 -8.383 -23.356 1.00 0.00 N ATOM 0 H ASN A 60 21.154 -11.108 -24.834 1.00 0.00 H new ATOM 0 HA ASN A 60 23.793 -9.927 -24.914 1.00 0.00 H new ATOM 0 HB2 ASN A 60 23.479 -8.386 -23.075 1.00 0.00 H new ATOM 0 HB3 ASN A 60 22.488 -7.921 -24.444 1.00 0.00 H new ATOM 0 HD21 ASN A 60 19.386 -8.352 -22.805 1.00 0.00 H new ATOM 0 HD22 ASN A 60 20.213 -8.196 -24.358 1.00 0.00 H new ATOM 922 N PHE A 61 22.502 -12.284 -23.512 1.00 0.00 N ATOM 923 CA PHE A 61 22.618 -13.421 -22.615 1.00 0.00 C ATOM 924 C PHE A 61 23.103 -14.612 -23.408 1.00 0.00 C ATOM 925 O PHE A 61 22.714 -14.770 -24.565 1.00 0.00 O ATOM 926 CB PHE A 61 21.250 -13.783 -22.008 1.00 0.00 C ATOM 927 CG PHE A 61 20.628 -12.749 -21.110 1.00 0.00 C ATOM 928 CD1 PHE A 61 20.885 -12.748 -19.753 1.00 0.00 C ATOM 929 CD2 PHE A 61 19.768 -11.794 -21.625 1.00 0.00 C ATOM 930 CE1 PHE A 61 20.298 -11.815 -18.921 1.00 0.00 C ATOM 931 CE2 PHE A 61 19.180 -10.855 -20.802 1.00 0.00 C ATOM 932 CZ PHE A 61 19.444 -10.863 -19.447 1.00 0.00 C ATOM 0 H PHE A 61 21.913 -12.458 -24.327 1.00 0.00 H new ATOM 0 HA PHE A 61 23.311 -13.163 -21.814 1.00 0.00 H new ATOM 0 HB2 PHE A 61 20.557 -13.990 -22.824 1.00 0.00 H new ATOM 0 HB3 PHE A 61 21.360 -14.707 -21.441 1.00 0.00 H new ATOM 0 HD1 PHE A 61 21.554 -13.487 -19.337 1.00 0.00 H new ATOM 0 HD2 PHE A 61 19.555 -11.784 -22.684 1.00 0.00 H new ATOM 0 HE1 PHE A 61 20.506 -11.829 -17.861 1.00 0.00 H new ATOM 0 HE2 PHE A 61 18.513 -10.114 -21.218 1.00 0.00 H new ATOM 0 HZ PHE A 61 18.986 -10.129 -18.801 1.00 0.00 H new ATOM 942 N ALA A 62 23.957 -15.434 -22.788 1.00 0.00 N ATOM 943 CA ALA A 62 24.423 -16.706 -23.373 1.00 0.00 C ATOM 944 C ALA A 62 24.954 -16.526 -24.798 1.00 0.00 C ATOM 945 O ALA A 62 24.720 -17.366 -25.674 1.00 0.00 O ATOM 946 CB ALA A 62 23.286 -17.727 -23.349 1.00 0.00 C ATOM 0 H ALA A 62 24.347 -15.240 -21.866 1.00 0.00 H new ATOM 0 HA ALA A 62 25.254 -17.069 -22.769 1.00 0.00 H new ATOM 0 HB1 ALA A 62 23.631 -18.666 -23.781 1.00 0.00 H new ATOM 0 HB2 ALA A 62 22.970 -17.896 -22.319 1.00 0.00 H new ATOM 0 HB3 ALA A 62 22.445 -17.348 -23.929 1.00 0.00 H new ATOM 952 N LYS A 63 25.685 -15.454 -25.022 1.00 0.00 N ATOM 953 CA LYS A 63 26.129 -15.125 -26.355 1.00 0.00 C ATOM 954 C LYS A 63 27.630 -14.875 -26.363 1.00 0.00 C ATOM 955 O LYS A 63 28.388 -15.818 -26.660 1.00 0.00 O ATOM 956 CB LYS A 63 25.358 -13.899 -26.860 1.00 0.00 C ATOM 957 CG LYS A 63 25.632 -13.517 -28.299 1.00 0.00 C ATOM 958 CD LYS A 63 25.224 -14.630 -29.251 1.00 0.00 C ATOM 959 CE LYS A 63 25.219 -14.148 -30.686 1.00 0.00 C ATOM 960 NZ LYS A 63 24.120 -13.182 -30.939 1.00 0.00 N ATOM 961 OXT LYS A 63 28.056 -13.753 -26.036 1.00 0.00 O ATOM 0 H LYS A 63 25.982 -14.799 -24.299 1.00 0.00 H new ATOM 0 HA LYS A 63 25.929 -15.961 -27.025 1.00 0.00 H new ATOM 0 HB2 LYS A 63 24.291 -14.089 -26.747 1.00 0.00 H new ATOM 0 HB3 LYS A 63 25.600 -13.049 -26.222 1.00 0.00 H new ATOM 0 HG2 LYS A 63 25.087 -12.606 -28.546 1.00 0.00 H new ATOM 0 HG3 LYS A 63 26.692 -13.298 -28.424 1.00 0.00 H new ATOM 0 HD2 LYS A 63 25.911 -15.470 -29.149 1.00 0.00 H new ATOM 0 HD3 LYS A 63 24.232 -14.996 -28.984 1.00 0.00 H new ATOM 0 HE2 LYS A 63 26.176 -13.678 -30.915 1.00 0.00 H new ATOM 0 HE3 LYS A 63 25.114 -15.001 -31.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 24.031 -13.018 -31.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 23.227 -13.568 -30.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 24.331 -12.283 -30.461 1.00 0.00 H new TER 975 LYS A 63 HETATM 976 ZN ZN A 65 9.201 -19.150 -22.568 1.00 0.00 ZN HETATM 977 ZN ZN A 66 6.154 -6.090 -14.913 1.00 0.00 ZN