USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 482 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 Single : A 1 ARG N :NH3+ 179:sc= -0.292 (180deg=-0.315) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.318) USER MOD Single : A 5 LYS NZ :NH3+ -101:sc= -1.1! (180deg=-2.19!) USER MOD Single : A 9 SER OG : rot 170:sc=-0.00597 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 146:sc= -0.935 (180deg=-2.9!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0283 USER MOD Single : A 24 ASN : amide:sc= -0.144 K(o=-0.14,f=-0.82) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 ARG N :NH3+ 178:sc= -0.312 (180deg=-0.332) USER MOD Single : B 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.321) USER MOD Single : B 5 LYS NZ :NH3+ -106:sc= -1.21! (180deg=-2.35!) USER MOD Single : B 9 SER OG : rot 170:sc=-0.000265 USER MOD Single : B 10 TYR OH : rot 180:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 LYS NZ :NH3+ 147:sc= -0.84 (180deg=-2.83!) USER MOD Single : B 23 THR OG1 : rot -102:sc= 0.0424 USER MOD Single : B 24 ASN : amide:sc= -0.2 K(o=-0.2,f=-0.84) USER MOD Single : B 27 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -19.420 -23.455 -3.905 1.00 0.00 N ATOM 2 CA ARG A 1 -18.954 -24.824 -3.537 1.00 0.00 C ATOM 3 C ARG A 1 -18.987 -25.740 -4.764 1.00 0.00 C ATOM 4 O ARG A 1 -18.823 -26.940 -4.659 1.00 0.00 O ATOM 5 CB ARG A 1 -19.946 -25.308 -2.479 1.00 0.00 C ATOM 6 CG ARG A 1 -19.692 -24.568 -1.164 1.00 0.00 C ATOM 7 CD ARG A 1 -19.168 -25.552 -0.117 1.00 0.00 C ATOM 8 NE ARG A 1 -20.102 -25.420 1.035 1.00 0.00 N ATOM 9 CZ ARG A 1 -19.659 -25.559 2.255 1.00 0.00 C ATOM 10 NH1 ARG A 1 -18.481 -26.080 2.465 1.00 0.00 N ATOM 11 NH2 ARG A 1 -20.393 -25.177 3.264 1.00 0.00 N ATOM 0 H1 ARG A 1 -19.410 -22.846 -3.062 1.00 0.00 H new ATOM 0 H2 ARG A 1 -18.788 -23.056 -4.628 1.00 0.00 H new ATOM 0 H3 ARG A 1 -20.388 -23.507 -4.282 1.00 0.00 H new ATOM 0 HA ARG A 1 -17.929 -24.827 -3.166 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -20.968 -25.132 -2.816 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -19.840 -26.383 -2.330 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -18.969 -23.767 -1.319 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -20.613 -24.103 -0.812 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -19.158 -26.571 -0.503 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -18.145 -25.312 0.174 1.00 0.00 H new ATOM 0 HE ARG A 1 -21.089 -25.221 0.871 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -17.907 -26.378 1.676 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -18.134 -26.189 3.418 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -21.314 -24.770 3.100 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -20.046 -25.286 4.217 1.00 0.00 H new ATOM 27 N MET A 2 -19.198 -25.185 -5.925 1.00 0.00 N ATOM 28 CA MET A 2 -19.240 -26.025 -7.157 1.00 0.00 C ATOM 29 C MET A 2 -18.512 -25.320 -8.304 1.00 0.00 C ATOM 30 O MET A 2 -18.950 -24.299 -8.796 1.00 0.00 O ATOM 31 CB MET A 2 -20.727 -26.179 -7.480 1.00 0.00 C ATOM 32 CG MET A 2 -21.410 -26.981 -6.372 1.00 0.00 C ATOM 33 SD MET A 2 -21.884 -28.608 -7.010 1.00 0.00 S ATOM 34 CE MET A 2 -22.367 -29.340 -5.427 1.00 0.00 C ATOM 0 H MET A 2 -19.343 -24.187 -6.075 1.00 0.00 H new ATOM 0 HA MET A 2 -18.751 -26.989 -7.016 1.00 0.00 H new ATOM 0 HB2 MET A 2 -21.193 -25.198 -7.573 1.00 0.00 H new ATOM 0 HB3 MET A 2 -20.851 -26.684 -8.438 1.00 0.00 H new ATOM 0 HG2 MET A 2 -20.737 -27.094 -5.522 1.00 0.00 H new ATOM 0 HG3 MET A 2 -22.291 -26.449 -6.013 1.00 0.00 H new ATOM 0 HE1 MET A 2 -22.701 -30.365 -5.587 1.00 0.00 H new ATOM 0 HE2 MET A 2 -21.513 -29.338 -4.749 1.00 0.00 H new ATOM 0 HE3 MET A 2 -23.179 -28.758 -4.990 1.00 0.00 H new ATOM 44 N LYS A 3 -17.401 -25.857 -8.733 1.00 0.00 N ATOM 45 CA LYS A 3 -16.646 -25.216 -9.848 1.00 0.00 C ATOM 46 C LYS A 3 -15.415 -26.054 -10.203 1.00 0.00 C ATOM 47 O LYS A 3 -14.856 -26.737 -9.368 1.00 0.00 O ATOM 48 CB LYS A 3 -16.227 -23.849 -9.308 1.00 0.00 C ATOM 49 CG LYS A 3 -15.279 -24.037 -8.122 1.00 0.00 C ATOM 50 CD LYS A 3 -16.087 -24.074 -6.823 1.00 0.00 C ATOM 51 CE LYS A 3 -15.931 -25.446 -6.163 1.00 0.00 C ATOM 52 NZ LYS A 3 -15.097 -25.198 -4.955 1.00 0.00 N ATOM 0 H LYS A 3 -16.985 -26.710 -8.360 1.00 0.00 H new ATOM 0 HA LYS A 3 -17.243 -25.130 -10.756 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -15.736 -23.272 -10.091 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.106 -23.284 -8.998 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -14.714 -24.962 -8.238 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -14.555 -23.223 -8.089 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -15.743 -23.292 -6.146 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -17.139 -23.876 -7.031 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -16.900 -25.868 -5.894 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -15.450 -26.156 -6.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -14.946 -26.093 -4.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -14.179 -24.803 -5.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -15.583 -24.524 -4.330 1.00 0.00 H new ATOM 66 N LYS A 4 -14.989 -26.009 -11.436 1.00 0.00 N ATOM 67 CA LYS A 4 -13.795 -26.804 -11.841 1.00 0.00 C ATOM 68 C LYS A 4 -12.534 -25.938 -11.771 1.00 0.00 C ATOM 69 O LYS A 4 -11.447 -26.381 -12.085 1.00 0.00 O ATOM 70 CB LYS A 4 -14.074 -27.230 -13.283 1.00 0.00 C ATOM 71 CG LYS A 4 -15.509 -27.750 -13.393 1.00 0.00 C ATOM 72 CD LYS A 4 -15.829 -28.056 -14.858 1.00 0.00 C ATOM 73 CE LYS A 4 -17.341 -27.970 -15.078 1.00 0.00 C ATOM 74 NZ LYS A 4 -17.911 -29.084 -14.270 1.00 0.00 N ATOM 0 H LYS A 4 -15.416 -25.457 -12.180 1.00 0.00 H new ATOM 0 HA LYS A 4 -13.628 -27.661 -11.188 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -13.929 -26.386 -13.957 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -13.371 -28.005 -13.587 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -15.629 -28.649 -12.788 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -16.207 -27.008 -13.004 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -15.315 -27.349 -15.509 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -15.468 -29.051 -15.120 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -17.733 -27.006 -14.754 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -17.593 -28.078 -16.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -18.890 -29.266 -14.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -17.340 -29.942 -14.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -17.902 -28.823 -13.263 1.00 0.00 H new ATOM 88 N LYS A 5 -12.671 -24.706 -11.362 1.00 0.00 N ATOM 89 CA LYS A 5 -11.480 -23.813 -11.272 1.00 0.00 C ATOM 90 C LYS A 5 -10.590 -23.991 -12.505 1.00 0.00 C ATOM 91 O LYS A 5 -9.689 -24.806 -12.521 1.00 0.00 O ATOM 92 CB LYS A 5 -10.743 -24.261 -10.010 1.00 0.00 C ATOM 93 CG LYS A 5 -9.400 -23.535 -9.917 1.00 0.00 C ATOM 94 CD LYS A 5 -8.456 -24.320 -9.003 1.00 0.00 C ATOM 95 CE LYS A 5 -8.330 -25.757 -9.512 1.00 0.00 C ATOM 96 NZ LYS A 5 -9.233 -26.556 -8.637 1.00 0.00 N ATOM 0 H LYS A 5 -13.555 -24.279 -11.086 1.00 0.00 H new ATOM 0 HA LYS A 5 -11.757 -22.760 -11.230 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -11.346 -24.046 -9.128 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -10.585 -25.339 -10.032 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.961 -23.433 -10.909 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -9.546 -22.527 -9.528 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.476 -23.844 -8.980 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.836 -24.317 -7.981 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.626 -25.833 -10.558 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.301 -26.111 -9.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.670 -27.050 -7.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.914 -25.923 -8.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.746 -27.254 -9.213 1.00 0.00 H new ATOM 110 N ASP A 6 -10.836 -23.235 -13.541 1.00 0.00 N ATOM 111 CA ASP A 6 -10.004 -23.361 -14.771 1.00 0.00 C ATOM 112 C ASP A 6 -10.529 -22.427 -15.864 1.00 0.00 C ATOM 113 O ASP A 6 -10.834 -22.849 -16.961 1.00 0.00 O ATOM 114 CB ASP A 6 -10.149 -24.823 -15.199 1.00 0.00 C ATOM 115 CG ASP A 6 -11.623 -25.228 -15.140 1.00 0.00 C ATOM 116 OD1 ASP A 6 -12.459 -24.341 -15.083 1.00 0.00 O ATOM 117 OD2 ASP A 6 -11.891 -26.418 -15.154 1.00 0.00 O ATOM 0 H ASP A 6 -11.577 -22.536 -13.588 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.963 -23.089 -14.595 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -9.764 -24.957 -16.210 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -9.558 -25.465 -14.545 1.00 0.00 H new ATOM 122 N GLU A 7 -10.635 -21.159 -15.573 1.00 0.00 N ATOM 123 CA GLU A 7 -11.140 -20.199 -16.595 1.00 0.00 C ATOM 124 C GLU A 7 -11.362 -18.822 -15.962 1.00 0.00 C ATOM 125 O GLU A 7 -12.439 -18.263 -16.033 1.00 0.00 O ATOM 126 CB GLU A 7 -12.467 -20.789 -17.074 1.00 0.00 C ATOM 127 CG GLU A 7 -12.372 -21.116 -18.565 1.00 0.00 C ATOM 128 CD GLU A 7 -13.413 -22.178 -18.924 1.00 0.00 C ATOM 129 OE1 GLU A 7 -14.350 -22.340 -18.160 1.00 0.00 O ATOM 130 OE2 GLU A 7 -13.256 -22.809 -19.956 1.00 0.00 O ATOM 0 H GLU A 7 -10.394 -20.747 -14.672 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.436 -20.062 -17.416 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -12.702 -21.690 -16.508 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.277 -20.081 -16.897 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.537 -20.215 -19.156 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.372 -21.476 -18.806 1.00 0.00 H new ATOM 137 N GLY A 8 -10.353 -18.273 -15.345 1.00 0.00 N ATOM 138 CA GLY A 8 -10.507 -16.934 -14.709 1.00 0.00 C ATOM 139 C GLY A 8 -9.135 -16.411 -14.278 1.00 0.00 C ATOM 140 O GLY A 8 -8.963 -15.929 -13.176 1.00 0.00 O ATOM 0 H GLY A 8 -9.428 -18.693 -15.253 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.969 -16.238 -15.409 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.169 -17.004 -13.846 1.00 0.00 H new ATOM 144 N SER A 9 -8.159 -16.501 -15.138 1.00 0.00 N ATOM 145 CA SER A 9 -6.801 -16.008 -14.778 1.00 0.00 C ATOM 146 C SER A 9 -5.897 -15.999 -16.014 1.00 0.00 C ATOM 147 O SER A 9 -4.984 -16.792 -16.133 1.00 0.00 O ATOM 148 CB SER A 9 -6.281 -16.998 -13.737 1.00 0.00 C ATOM 149 OG SER A 9 -6.804 -18.290 -14.014 1.00 0.00 O ATOM 0 H SER A 9 -8.243 -16.895 -16.075 1.00 0.00 H new ATOM 0 HA SER A 9 -6.820 -14.988 -14.393 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.191 -17.023 -13.755 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.576 -16.680 -12.737 1.00 0.00 H new ATOM 0 HG SER A 9 -6.351 -18.954 -13.453 1.00 0.00 H new ATOM 155 N TYR A 10 -6.143 -15.107 -16.934 1.00 0.00 N ATOM 156 CA TYR A 10 -5.296 -15.047 -18.160 1.00 0.00 C ATOM 157 C TYR A 10 -5.768 -13.913 -19.073 1.00 0.00 C ATOM 158 O TYR A 10 -6.472 -14.132 -20.039 1.00 0.00 O ATOM 159 CB TYR A 10 -5.492 -16.401 -18.843 1.00 0.00 C ATOM 160 CG TYR A 10 -4.260 -16.745 -19.646 1.00 0.00 C ATOM 161 CD1 TYR A 10 -3.461 -15.724 -20.175 1.00 0.00 C ATOM 162 CD2 TYR A 10 -3.917 -18.085 -19.862 1.00 0.00 C ATOM 163 CE1 TYR A 10 -2.319 -16.044 -20.919 1.00 0.00 C ATOM 164 CE2 TYR A 10 -2.775 -18.405 -20.607 1.00 0.00 C ATOM 165 CZ TYR A 10 -1.976 -17.384 -21.136 1.00 0.00 C ATOM 166 OH TYR A 10 -0.851 -17.699 -21.869 1.00 0.00 O ATOM 0 H TYR A 10 -6.893 -14.417 -16.890 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.248 -14.854 -17.929 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.679 -17.173 -18.096 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -6.366 -16.368 -19.494 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.726 -14.690 -20.009 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.533 -18.872 -19.454 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.702 -15.256 -21.326 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -2.511 -19.439 -20.773 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.758 -18.673 -21.923 1.00 0.00 H new ATOM 176 N ASP A 11 -5.384 -12.701 -18.776 1.00 0.00 N ATOM 177 CA ASP A 11 -5.808 -11.556 -19.625 1.00 0.00 C ATOM 178 C ASP A 11 -5.042 -10.291 -19.227 1.00 0.00 C ATOM 179 O ASP A 11 -4.688 -9.481 -20.061 1.00 0.00 O ATOM 180 CB ASP A 11 -7.301 -11.392 -19.346 1.00 0.00 C ATOM 181 CG ASP A 11 -7.769 -10.025 -19.849 1.00 0.00 C ATOM 182 OD1 ASP A 11 -7.644 -9.778 -21.038 1.00 0.00 O ATOM 183 OD2 ASP A 11 -8.245 -9.248 -19.038 1.00 0.00 O ATOM 0 H ASP A 11 -4.794 -12.456 -17.981 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.608 -11.727 -20.683 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -7.863 -12.185 -19.840 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -7.494 -11.483 -18.277 1.00 0.00 H new ATOM 188 N LEU A 12 -4.783 -10.117 -17.960 1.00 0.00 N ATOM 189 CA LEU A 12 -4.041 -8.906 -17.509 1.00 0.00 C ATOM 190 C LEU A 12 -2.876 -8.613 -18.460 1.00 0.00 C ATOM 191 O LEU A 12 -2.127 -9.495 -18.829 1.00 0.00 O ATOM 192 CB LEU A 12 -3.522 -9.257 -16.115 1.00 0.00 C ATOM 193 CG LEU A 12 -4.698 -9.371 -15.144 1.00 0.00 C ATOM 194 CD1 LEU A 12 -4.187 -9.811 -13.770 1.00 0.00 C ATOM 195 CD2 LEU A 12 -5.388 -8.012 -15.018 1.00 0.00 C ATOM 0 H LEU A 12 -5.053 -10.762 -17.217 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.670 -8.016 -17.497 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.971 -10.197 -16.147 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.826 -8.491 -15.771 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.408 -10.107 -15.520 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.026 -9.892 -13.079 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.695 -10.779 -13.858 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.476 -9.075 -13.393 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.226 -8.092 -14.326 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.677 -7.276 -14.642 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.753 -7.697 -15.996 1.00 0.00 H new ATOM 207 N GLY A 13 -2.722 -7.381 -18.863 1.00 0.00 N ATOM 208 CA GLY A 13 -1.609 -7.034 -19.791 1.00 0.00 C ATOM 209 C GLY A 13 -0.280 -7.046 -19.033 1.00 0.00 C ATOM 210 O GLY A 13 0.575 -7.873 -19.277 1.00 0.00 O ATOM 0 H GLY A 13 -3.319 -6.600 -18.590 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.575 -7.747 -20.615 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.780 -6.050 -20.227 1.00 0.00 H new ATOM 214 N LYS A 14 -0.099 -6.135 -18.115 1.00 0.00 N ATOM 215 CA LYS A 14 1.176 -6.099 -17.346 1.00 0.00 C ATOM 216 C LYS A 14 1.055 -5.135 -16.158 1.00 0.00 C ATOM 217 O LYS A 14 0.415 -5.437 -15.171 1.00 0.00 O ATOM 218 CB LYS A 14 2.227 -5.617 -18.348 1.00 0.00 C ATOM 219 CG LYS A 14 3.595 -5.562 -17.665 1.00 0.00 C ATOM 220 CD LYS A 14 4.184 -6.972 -17.586 1.00 0.00 C ATOM 221 CE LYS A 14 5.165 -7.182 -18.742 1.00 0.00 C ATOM 222 NZ LYS A 14 5.522 -8.627 -18.685 1.00 0.00 N ATOM 0 H LYS A 14 -0.778 -5.416 -17.865 1.00 0.00 H new ATOM 0 HA LYS A 14 1.438 -7.070 -16.926 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.263 -6.289 -19.205 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.958 -4.631 -18.727 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.265 -4.907 -18.222 1.00 0.00 H new ATOM 0 HG3 LYS A 14 3.497 -5.141 -16.664 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.694 -7.112 -16.633 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.387 -7.714 -17.633 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.709 -6.925 -19.698 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.048 -6.552 -18.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.193 -8.849 -19.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.960 -8.840 -17.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.663 -9.202 -18.801 1.00 0.00 H new ATOM 236 N LYS A 15 1.662 -3.982 -16.238 1.00 0.00 N ATOM 237 CA LYS A 15 1.571 -3.017 -15.104 1.00 0.00 C ATOM 238 C LYS A 15 1.258 -1.612 -15.625 1.00 0.00 C ATOM 239 O LYS A 15 1.847 -1.161 -16.587 1.00 0.00 O ATOM 240 CB LYS A 15 2.952 -3.050 -14.446 1.00 0.00 C ATOM 241 CG LYS A 15 3.039 -4.250 -13.501 1.00 0.00 C ATOM 242 CD LYS A 15 3.064 -3.760 -12.053 1.00 0.00 C ATOM 243 CE LYS A 15 1.827 -4.277 -11.316 1.00 0.00 C ATOM 244 NZ LYS A 15 2.002 -3.826 -9.907 1.00 0.00 N ATOM 0 H LYS A 15 2.215 -3.667 -17.035 1.00 0.00 H new ATOM 0 HA LYS A 15 0.778 -3.278 -14.403 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.728 -3.117 -15.208 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.126 -2.126 -13.894 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.187 -4.912 -13.657 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.937 -4.830 -13.715 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.969 -4.109 -11.556 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.086 -2.671 -12.027 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.912 -3.873 -11.749 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.756 -5.363 -11.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.191 -4.143 -9.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.878 -4.232 -9.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.059 -2.788 -9.879 1.00 0.00 H new ATOM 258 N PRO A 16 0.335 -0.965 -14.965 1.00 0.00 N ATOM 259 CA PRO A 16 -0.068 0.408 -15.359 1.00 0.00 C ATOM 260 C PRO A 16 1.027 1.414 -14.997 1.00 0.00 C ATOM 261 O PRO A 16 1.800 1.205 -14.083 1.00 0.00 O ATOM 262 CB PRO A 16 -1.331 0.659 -14.540 1.00 0.00 C ATOM 263 CG PRO A 16 -1.212 -0.246 -13.357 1.00 0.00 C ATOM 264 CD PRO A 16 -0.412 -1.446 -13.797 1.00 0.00 C ATOM 0 HA PRO A 16 -0.233 0.515 -16.431 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.401 1.703 -14.233 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.227 0.436 -15.119 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.718 0.264 -12.530 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.197 -0.549 -13.003 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.258 -1.790 -13.009 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.059 -2.285 -14.054 1.00 0.00 H new ATOM 272 N ILE A 17 1.096 2.507 -15.706 1.00 0.00 N ATOM 273 CA ILE A 17 2.135 3.530 -15.405 1.00 0.00 C ATOM 274 C ILE A 17 1.505 4.922 -15.446 1.00 0.00 C ATOM 275 O ILE A 17 0.314 5.065 -15.623 1.00 0.00 O ATOM 276 CB ILE A 17 3.197 3.406 -16.501 1.00 0.00 C ATOM 277 CG1 ILE A 17 3.330 1.954 -16.981 1.00 0.00 C ATOM 278 CG2 ILE A 17 4.545 3.874 -15.951 1.00 0.00 C ATOM 279 CD1 ILE A 17 4.077 1.933 -18.315 1.00 0.00 C ATOM 0 H ILE A 17 0.476 2.736 -16.483 1.00 0.00 H new ATOM 0 HA ILE A 17 2.570 3.381 -14.417 1.00 0.00 H new ATOM 0 HB ILE A 17 2.893 4.025 -17.345 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.867 1.361 -16.240 1.00 0.00 H new ATOM 0 HG13 ILE A 17 2.344 1.504 -17.095 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.305 3.788 -16.728 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.467 4.914 -15.634 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.825 3.255 -15.099 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.175 0.904 -18.661 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.522 2.513 -19.052 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.068 2.367 -18.184 1.00 0.00 H new ATOM 291 N TYR A 18 2.289 5.949 -15.291 1.00 0.00 N ATOM 292 CA TYR A 18 1.721 7.327 -15.329 1.00 0.00 C ATOM 293 C TYR A 18 2.847 8.363 -15.369 1.00 0.00 C ATOM 294 O TYR A 18 3.178 8.973 -14.371 1.00 0.00 O ATOM 295 CB TYR A 18 0.909 7.457 -14.040 1.00 0.00 C ATOM 296 CG TYR A 18 -0.554 7.615 -14.380 1.00 0.00 C ATOM 297 CD1 TYR A 18 -1.062 8.876 -14.712 1.00 0.00 C ATOM 298 CD2 TYR A 18 -1.404 6.500 -14.365 1.00 0.00 C ATOM 299 CE1 TYR A 18 -2.419 9.025 -15.027 1.00 0.00 C ATOM 300 CE2 TYR A 18 -2.760 6.650 -14.680 1.00 0.00 C ATOM 301 CZ TYR A 18 -3.267 7.911 -15.011 1.00 0.00 C ATOM 302 OH TYR A 18 -4.604 8.058 -15.322 1.00 0.00 O ATOM 0 H TYR A 18 3.296 5.897 -15.140 1.00 0.00 H new ATOM 0 HA TYR A 18 1.107 7.497 -16.213 1.00 0.00 H new ATOM 0 HB2 TYR A 18 1.055 6.576 -13.415 1.00 0.00 H new ATOM 0 HB3 TYR A 18 1.255 8.316 -13.465 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -0.407 9.735 -14.725 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.013 5.526 -14.111 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -2.811 9.999 -15.282 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.415 5.791 -14.667 1.00 0.00 H new ATOM 0 HH TYR A 18 -5.051 7.188 -15.265 1.00 0.00 H new ATOM 312 N LYS A 19 3.437 8.567 -16.515 1.00 0.00 N ATOM 313 CA LYS A 19 4.541 9.563 -16.619 1.00 0.00 C ATOM 314 C LYS A 19 4.407 10.366 -17.916 1.00 0.00 C ATOM 315 O LYS A 19 3.939 9.869 -18.920 1.00 0.00 O ATOM 316 CB LYS A 19 5.824 8.732 -16.631 1.00 0.00 C ATOM 317 CG LYS A 19 6.102 8.201 -15.224 1.00 0.00 C ATOM 318 CD LYS A 19 7.505 8.626 -14.785 1.00 0.00 C ATOM 319 CE LYS A 19 7.535 8.801 -13.265 1.00 0.00 C ATOM 320 NZ LYS A 19 8.958 9.092 -12.939 1.00 0.00 N ATOM 0 H LYS A 19 3.202 8.087 -17.384 1.00 0.00 H new ATOM 0 HA LYS A 19 4.529 10.281 -15.799 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.726 7.902 -17.331 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.661 9.341 -16.973 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.359 8.586 -14.525 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.019 7.114 -15.211 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.235 7.876 -15.090 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.783 9.559 -15.274 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.883 9.615 -12.948 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.190 7.900 -12.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.059 9.225 -11.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.554 8.297 -13.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.257 9.958 -13.431 1.00 0.00 H new ATOM 334 N LYS A 20 4.819 11.605 -17.902 1.00 0.00 N ATOM 335 CA LYS A 20 4.718 12.440 -19.133 1.00 0.00 C ATOM 336 C LYS A 20 5.042 13.901 -18.808 1.00 0.00 C ATOM 337 O LYS A 20 4.583 14.443 -17.823 1.00 0.00 O ATOM 338 CB LYS A 20 3.266 12.301 -19.594 1.00 0.00 C ATOM 339 CG LYS A 20 3.232 11.679 -20.992 1.00 0.00 C ATOM 340 CD LYS A 20 3.396 12.776 -22.045 1.00 0.00 C ATOM 341 CE LYS A 20 4.819 12.739 -22.606 1.00 0.00 C ATOM 342 NZ LYS A 20 5.284 14.153 -22.573 1.00 0.00 N ATOM 0 H LYS A 20 5.221 12.075 -17.091 1.00 0.00 H new ATOM 0 HA LYS A 20 5.420 12.123 -19.904 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.709 11.679 -18.894 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.782 13.278 -19.607 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.029 10.942 -21.093 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.290 11.153 -21.144 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.673 12.634 -22.849 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.194 13.752 -21.603 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.463 12.098 -22.005 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.833 12.343 -23.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.304 14.178 -22.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.100 14.600 -23.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.773 14.669 -21.829 1.00 0.00 H new ATOM 356 N ALA A 21 5.827 14.542 -19.631 1.00 0.00 N ATOM 357 CA ALA A 21 6.178 15.966 -19.368 1.00 0.00 C ATOM 358 C ALA A 21 6.719 16.622 -20.642 1.00 0.00 C ATOM 359 O ALA A 21 7.895 16.536 -20.934 1.00 0.00 O ATOM 360 CB ALA A 21 7.261 15.915 -18.290 1.00 0.00 C ATOM 0 H ALA A 21 6.240 14.141 -20.473 1.00 0.00 H new ATOM 0 HA ALA A 21 5.315 16.552 -19.051 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.574 16.929 -18.040 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.865 15.428 -17.399 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.117 15.352 -18.661 1.00 0.00 H new ATOM 366 N PRO A 22 5.833 17.257 -21.359 1.00 0.00 N ATOM 367 CA PRO A 22 6.218 17.938 -22.620 1.00 0.00 C ATOM 368 C PRO A 22 7.011 19.213 -22.317 1.00 0.00 C ATOM 369 O PRO A 22 6.630 20.009 -21.481 1.00 0.00 O ATOM 370 CB PRO A 22 4.878 18.272 -23.269 1.00 0.00 C ATOM 371 CG PRO A 22 3.904 18.337 -22.137 1.00 0.00 C ATOM 372 CD PRO A 22 4.402 17.400 -21.067 1.00 0.00 C ATOM 0 HA PRO A 22 6.856 17.329 -23.260 1.00 0.00 H new ATOM 0 HB2 PRO A 22 4.924 19.220 -23.804 1.00 0.00 H new ATOM 0 HB3 PRO A 22 4.590 17.511 -23.994 1.00 0.00 H new ATOM 0 HG2 PRO A 22 3.828 19.354 -21.753 1.00 0.00 H new ATOM 0 HG3 PRO A 22 2.907 18.046 -22.470 1.00 0.00 H new ATOM 0 HD2 PRO A 22 4.237 17.809 -20.070 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.888 16.439 -21.107 1.00 0.00 H new ATOM 380 N THR A 23 8.112 19.411 -22.989 1.00 0.00 N ATOM 381 CA THR A 23 8.930 20.633 -22.741 1.00 0.00 C ATOM 382 C THR A 23 8.023 21.858 -22.596 1.00 0.00 C ATOM 383 O THR A 23 7.092 22.046 -23.353 1.00 0.00 O ATOM 384 CB THR A 23 9.822 20.769 -23.975 1.00 0.00 C ATOM 385 OG1 THR A 23 9.124 20.292 -25.117 1.00 0.00 O ATOM 386 CG2 THR A 23 11.099 19.951 -23.776 1.00 0.00 C ATOM 0 H THR A 23 8.481 18.779 -23.700 1.00 0.00 H new ATOM 0 HA THR A 23 9.513 20.560 -21.823 1.00 0.00 H new ATOM 0 HB THR A 23 10.084 21.817 -24.121 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.694 20.380 -25.909 1.00 0.00 H new ATOM 0 HG21 THR A 23 11.734 20.048 -24.656 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.634 20.318 -22.900 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.840 18.902 -23.630 1.00 0.00 H new ATOM 394 N ASN A 24 8.289 22.693 -21.629 1.00 0.00 N ATOM 395 CA ASN A 24 7.442 23.905 -21.436 1.00 0.00 C ATOM 396 C ASN A 24 7.496 24.791 -22.684 1.00 0.00 C ATOM 397 O ASN A 24 8.350 24.632 -23.534 1.00 0.00 O ATOM 398 CB ASN A 24 8.054 24.629 -20.237 1.00 0.00 C ATOM 399 CG ASN A 24 8.123 23.674 -19.044 1.00 0.00 C ATOM 400 OD1 ASN A 24 7.293 22.799 -18.902 1.00 0.00 O ATOM 401 ND2 ASN A 24 9.088 23.805 -18.174 1.00 0.00 N ATOM 0 H ASN A 24 9.056 22.589 -20.964 1.00 0.00 H new ATOM 0 HA ASN A 24 6.394 23.655 -21.269 1.00 0.00 H new ATOM 0 HB2 ASN A 24 9.052 24.988 -20.487 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.455 25.503 -19.982 1.00 0.00 H new ATOM 0 HD21 ASN A 24 9.144 23.173 -17.376 1.00 0.00 H new ATOM 0 HD22 ASN A 24 9.785 24.540 -18.293 1.00 0.00 H new ATOM 408 N GLU A 25 6.591 25.724 -22.800 1.00 0.00 N ATOM 409 CA GLU A 25 6.591 26.619 -23.992 1.00 0.00 C ATOM 410 C GLU A 25 5.609 27.776 -23.785 1.00 0.00 C ATOM 411 O GLU A 25 4.684 27.686 -23.003 1.00 0.00 O ATOM 412 CB GLU A 25 6.138 25.732 -25.153 1.00 0.00 C ATOM 413 CG GLU A 25 7.021 25.999 -26.374 1.00 0.00 C ATOM 414 CD GLU A 25 6.176 26.615 -27.491 1.00 0.00 C ATOM 415 OE1 GLU A 25 5.772 27.756 -27.340 1.00 0.00 O ATOM 416 OE2 GLU A 25 5.948 25.934 -28.477 1.00 0.00 O ATOM 0 H GLU A 25 5.852 25.905 -22.121 1.00 0.00 H new ATOM 0 HA GLU A 25 7.570 27.063 -24.176 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.201 24.682 -24.868 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.095 25.935 -25.394 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.836 26.672 -26.107 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.475 25.070 -26.718 1.00 0.00 H new ATOM 423 N PHE A 26 5.804 28.862 -24.482 1.00 0.00 N ATOM 424 CA PHE A 26 4.881 30.023 -24.324 1.00 0.00 C ATOM 425 C PHE A 26 4.943 30.558 -22.891 1.00 0.00 C ATOM 426 O PHE A 26 5.633 30.021 -22.047 1.00 0.00 O ATOM 427 CB PHE A 26 3.489 29.468 -24.631 1.00 0.00 C ATOM 428 CG PHE A 26 2.780 30.390 -25.594 1.00 0.00 C ATOM 429 CD1 PHE A 26 3.098 30.355 -26.957 1.00 0.00 C ATOM 430 CD2 PHE A 26 1.806 31.279 -25.124 1.00 0.00 C ATOM 431 CE1 PHE A 26 2.440 31.210 -27.850 1.00 0.00 C ATOM 432 CE2 PHE A 26 1.149 32.132 -26.018 1.00 0.00 C ATOM 433 CZ PHE A 26 1.466 32.098 -27.381 1.00 0.00 C ATOM 0 H PHE A 26 6.561 28.996 -25.153 1.00 0.00 H new ATOM 0 HA PHE A 26 5.143 30.851 -24.982 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.571 28.469 -25.060 1.00 0.00 H new ATOM 0 HB3 PHE A 26 2.913 29.373 -23.711 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.850 29.670 -27.319 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.562 31.307 -24.072 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.685 31.184 -28.902 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.397 32.817 -25.656 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.959 32.757 -28.070 1.00 0.00 H new ATOM 443 N TYR A 27 4.225 31.611 -22.608 1.00 0.00 N ATOM 444 CA TYR A 27 4.244 32.178 -21.229 1.00 0.00 C ATOM 445 C TYR A 27 2.817 32.470 -20.758 1.00 0.00 C ATOM 446 O TYR A 27 2.275 31.777 -19.919 1.00 0.00 O ATOM 447 CB TYR A 27 5.047 33.473 -21.345 1.00 0.00 C ATOM 448 CG TYR A 27 4.973 34.229 -20.039 1.00 0.00 C ATOM 449 CD1 TYR A 27 4.993 33.533 -18.824 1.00 0.00 C ATOM 450 CD2 TYR A 27 4.885 35.627 -20.043 1.00 0.00 C ATOM 451 CE1 TYR A 27 4.926 34.233 -17.615 1.00 0.00 C ATOM 452 CE2 TYR A 27 4.818 36.327 -18.833 1.00 0.00 C ATOM 453 CZ TYR A 27 4.838 35.630 -17.619 1.00 0.00 C ATOM 454 OH TYR A 27 4.770 36.321 -16.426 1.00 0.00 O ATOM 0 H TYR A 27 3.626 32.103 -23.271 1.00 0.00 H new ATOM 0 HA TYR A 27 4.682 31.491 -20.505 1.00 0.00 H new ATOM 0 HB2 TYR A 27 6.085 33.249 -21.590 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.653 34.086 -22.156 1.00 0.00 H new ATOM 0 HD1 TYR A 27 5.060 32.455 -18.821 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.869 36.165 -20.980 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.942 33.696 -16.678 1.00 0.00 H new ATOM 0 HE2 TYR A 27 4.751 37.405 -18.836 1.00 0.00 H new ATOM 0 HH TYR A 27 4.714 37.282 -16.608 1.00 0.00 H new ATOM 464 N ALA A 28 2.203 33.490 -21.292 1.00 0.00 N ATOM 465 CA ALA A 28 0.811 33.825 -20.874 1.00 0.00 C ATOM 466 C ALA A 28 0.784 34.219 -19.396 1.00 0.00 C ATOM 467 O ALA A 28 -0.216 33.950 -18.750 1.00 0.00 O ATOM 468 CB ALA A 28 0.010 32.544 -21.104 1.00 0.00 C ATOM 469 OXT ALA A 28 1.762 34.783 -18.934 1.00 0.00 O ATOM 0 H ALA A 28 2.604 34.106 -21.999 1.00 0.00 H new ATOM 0 HA ALA A 28 0.402 34.666 -21.433 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.029 32.709 -20.819 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.058 32.269 -22.158 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.429 31.740 -20.499 1.00 0.00 H new TER 475 ALA A 28 ATOM 476 N ARG B 1 7.638 -30.962 -26.860 1.00 0.00 N ATOM 477 CA ARG B 1 6.627 -32.038 -27.070 1.00 0.00 C ATOM 478 C ARG B 1 6.301 -32.726 -25.742 1.00 0.00 C ATOM 479 O ARG B 1 5.641 -33.746 -25.706 1.00 0.00 O ATOM 480 CB ARG B 1 7.291 -33.022 -28.035 1.00 0.00 C ATOM 481 CG ARG B 1 7.339 -32.408 -29.437 1.00 0.00 C ATOM 482 CD ARG B 1 6.419 -33.197 -30.371 1.00 0.00 C ATOM 483 NE ARG B 1 7.290 -33.615 -31.505 1.00 0.00 N ATOM 484 CZ ARG B 1 6.797 -33.699 -32.710 1.00 0.00 C ATOM 485 NH1 ARG B 1 5.504 -33.693 -32.887 1.00 0.00 N ATOM 486 NH2 ARG B 1 7.596 -33.789 -33.737 1.00 0.00 N ATOM 0 H1 ARG B 1 7.876 -30.526 -27.774 1.00 0.00 H new ATOM 0 H2 ARG B 1 7.248 -30.239 -26.222 1.00 0.00 H new ATOM 0 H3 ARG B 1 8.496 -31.370 -26.438 1.00 0.00 H new ATOM 0 HA ARG B 1 5.688 -31.650 -27.464 1.00 0.00 H new ATOM 0 HB2 ARG B 1 8.299 -33.257 -27.695 1.00 0.00 H new ATOM 0 HB3 ARG B 1 6.735 -33.959 -28.056 1.00 0.00 H new ATOM 0 HG2 ARG B 1 7.028 -31.364 -29.399 1.00 0.00 H new ATOM 0 HG3 ARG B 1 8.360 -32.423 -29.817 1.00 0.00 H new ATOM 0 HD2 ARG B 1 5.989 -34.061 -29.864 1.00 0.00 H new ATOM 0 HD3 ARG B 1 5.587 -32.583 -30.717 1.00 0.00 H new ATOM 0 HE ARG B 1 8.272 -33.836 -31.339 1.00 0.00 H new ATOM 0 HH11 ARG B 1 4.880 -33.623 -32.084 1.00 0.00 H new ATOM 0 HH12 ARG B 1 5.118 -33.759 -33.829 1.00 0.00 H new ATOM 0 HH21 ARG B 1 8.606 -33.794 -33.598 1.00 0.00 H new ATOM 0 HH22 ARG B 1 7.210 -33.855 -34.679 1.00 0.00 H new ATOM 502 N MET B 2 6.759 -32.176 -24.651 1.00 0.00 N ATOM 503 CA MET B 2 6.474 -32.800 -23.326 1.00 0.00 C ATOM 504 C MET B 2 6.144 -31.719 -22.293 1.00 0.00 C ATOM 505 O MET B 2 6.987 -30.929 -21.916 1.00 0.00 O ATOM 506 CB MET B 2 7.764 -33.529 -22.947 1.00 0.00 C ATOM 507 CG MET B 2 8.013 -34.673 -23.931 1.00 0.00 C ATOM 508 SD MET B 2 7.770 -36.256 -23.088 1.00 0.00 S ATOM 509 CE MET B 2 7.854 -37.310 -24.557 1.00 0.00 C ATOM 0 H MET B 2 7.317 -31.323 -24.619 1.00 0.00 H new ATOM 0 HA MET B 2 5.619 -33.476 -23.362 1.00 0.00 H new ATOM 0 HB2 MET B 2 8.604 -32.834 -22.961 1.00 0.00 H new ATOM 0 HB3 MET B 2 7.689 -33.919 -21.932 1.00 0.00 H new ATOM 0 HG2 MET B 2 7.333 -34.592 -24.779 1.00 0.00 H new ATOM 0 HG3 MET B 2 9.026 -34.612 -24.328 1.00 0.00 H new ATOM 0 HE1 MET B 2 7.726 -38.352 -24.265 1.00 0.00 H new ATOM 0 HE2 MET B 2 7.064 -37.028 -25.253 1.00 0.00 H new ATOM 0 HE3 MET B 2 8.823 -37.185 -25.040 1.00 0.00 H new ATOM 519 N LYS B 3 4.925 -31.678 -21.832 1.00 0.00 N ATOM 520 CA LYS B 3 4.542 -30.648 -20.824 1.00 0.00 C ATOM 521 C LYS B 3 3.081 -30.836 -20.404 1.00 0.00 C ATOM 522 O LYS B 3 2.263 -31.313 -21.165 1.00 0.00 O ATOM 523 CB LYS B 3 4.727 -29.308 -21.536 1.00 0.00 C ATOM 524 CG LYS B 3 3.757 -29.219 -22.716 1.00 0.00 C ATOM 525 CD LYS B 3 4.438 -29.752 -23.979 1.00 0.00 C ATOM 526 CE LYS B 3 3.697 -30.997 -24.471 1.00 0.00 C ATOM 527 NZ LYS B 3 3.015 -30.568 -25.724 1.00 0.00 N ATOM 0 H LYS B 3 4.177 -32.313 -22.109 1.00 0.00 H new ATOM 0 HA LYS B 3 5.144 -30.714 -19.918 1.00 0.00 H new ATOM 0 HB2 LYS B 3 4.548 -28.487 -20.841 1.00 0.00 H new ATOM 0 HB3 LYS B 3 5.754 -29.210 -21.888 1.00 0.00 H new ATOM 0 HG2 LYS B 3 2.857 -29.796 -22.505 1.00 0.00 H new ATOM 0 HG3 LYS B 3 3.445 -28.186 -22.867 1.00 0.00 H new ATOM 0 HD2 LYS B 3 4.440 -28.986 -24.755 1.00 0.00 H new ATOM 0 HD3 LYS B 3 5.480 -29.995 -23.769 1.00 0.00 H new ATOM 0 HE2 LYS B 3 4.388 -31.819 -24.659 1.00 0.00 H new ATOM 0 HE3 LYS B 3 2.978 -31.347 -23.730 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 2.484 -31.369 -26.122 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 2.359 -29.789 -25.513 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 3.725 -30.246 -26.413 1.00 0.00 H new ATOM 541 N LYS B 4 2.749 -30.465 -19.198 1.00 0.00 N ATOM 542 CA LYS B 4 1.341 -30.624 -18.731 1.00 0.00 C ATOM 543 C LYS B 4 0.565 -29.321 -18.939 1.00 0.00 C ATOM 544 O LYS B 4 -0.598 -29.220 -18.604 1.00 0.00 O ATOM 545 CB LYS B 4 1.452 -30.949 -17.241 1.00 0.00 C ATOM 546 CG LYS B 4 2.533 -32.012 -17.030 1.00 0.00 C ATOM 547 CD LYS B 4 2.734 -32.244 -15.530 1.00 0.00 C ATOM 548 CE LYS B 4 4.145 -32.781 -15.282 1.00 0.00 C ATOM 549 NZ LYS B 4 4.167 -34.120 -15.933 1.00 0.00 N ATOM 0 H LYS B 4 3.390 -30.059 -18.516 1.00 0.00 H new ATOM 0 HA LYS B 4 0.809 -31.402 -19.279 1.00 0.00 H new ATOM 0 HB2 LYS B 4 1.698 -30.048 -16.679 1.00 0.00 H new ATOM 0 HB3 LYS B 4 0.495 -31.309 -16.864 1.00 0.00 H new ATOM 0 HG2 LYS B 4 2.243 -32.943 -17.517 1.00 0.00 H new ATOM 0 HG3 LYS B 4 3.469 -31.691 -17.488 1.00 0.00 H new ATOM 0 HD2 LYS B 4 2.587 -31.312 -14.984 1.00 0.00 H new ATOM 0 HD3 LYS B 4 1.993 -32.952 -15.158 1.00 0.00 H new ATOM 0 HE2 LYS B 4 4.899 -32.121 -15.711 1.00 0.00 H new ATOM 0 HE3 LYS B 4 4.357 -32.857 -14.215 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 4.944 -34.686 -15.536 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 3.263 -34.604 -15.761 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 4.309 -34.006 -16.957 1.00 0.00 H new ATOM 563 N LYS B 5 1.199 -28.323 -19.491 1.00 0.00 N ATOM 564 CA LYS B 5 0.498 -27.027 -19.720 1.00 0.00 C ATOM 565 C LYS B 5 -0.350 -26.661 -18.499 1.00 0.00 C ATOM 566 O LYS B 5 -1.510 -27.008 -18.410 1.00 0.00 O ATOM 567 CB LYS B 5 -0.394 -27.271 -20.938 1.00 0.00 C ATOM 568 CG LYS B 5 -1.304 -26.060 -21.155 1.00 0.00 C ATOM 569 CD LYS B 5 -2.516 -26.476 -21.993 1.00 0.00 C ATOM 570 CE LYS B 5 -3.226 -27.651 -21.316 1.00 0.00 C ATOM 571 NZ LYS B 5 -2.771 -28.856 -22.064 1.00 0.00 N ATOM 0 H LYS B 5 2.173 -28.349 -19.794 1.00 0.00 H new ATOM 0 HA LYS B 5 1.194 -26.204 -19.881 1.00 0.00 H new ATOM 0 HB2 LYS B 5 0.219 -27.442 -21.823 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -0.994 -28.168 -20.788 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -1.632 -25.661 -20.195 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -0.755 -25.265 -21.660 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -3.202 -25.636 -22.101 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -2.198 -26.759 -22.996 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -2.961 -27.718 -20.261 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -4.309 -27.540 -21.366 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -3.541 -29.198 -22.673 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -1.949 -28.610 -22.651 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -2.505 -29.603 -21.391 1.00 0.00 H new ATOM 585 N ASP B 6 0.221 -25.960 -17.558 1.00 0.00 N ATOM 586 CA ASP B 6 -0.553 -25.572 -16.343 1.00 0.00 C ATOM 587 C ASP B 6 0.348 -24.823 -15.357 1.00 0.00 C ATOM 588 O ASP B 6 0.475 -25.199 -14.210 1.00 0.00 O ATOM 589 CB ASP B 6 -1.029 -26.893 -15.738 1.00 0.00 C ATOM 590 CG ASP B 6 0.132 -27.888 -15.707 1.00 0.00 C ATOM 591 OD1 ASP B 6 1.263 -27.453 -15.849 1.00 0.00 O ATOM 592 OD2 ASP B 6 -0.129 -29.069 -15.542 1.00 0.00 O ATOM 0 H ASP B 6 1.189 -25.639 -17.577 1.00 0.00 H new ATOM 0 HA ASP B 6 -1.385 -24.908 -16.578 1.00 0.00 H new ATOM 0 HB2 ASP B 6 -1.407 -26.728 -14.729 1.00 0.00 H new ATOM 0 HB3 ASP B 6 -1.853 -27.298 -16.325 1.00 0.00 H new ATOM 597 N GLU B 7 0.974 -23.766 -15.798 1.00 0.00 N ATOM 598 CA GLU B 7 1.866 -22.994 -14.886 1.00 0.00 C ATOM 599 C GLU B 7 2.634 -21.929 -15.674 1.00 0.00 C ATOM 600 O GLU B 7 3.847 -21.874 -15.644 1.00 0.00 O ATOM 601 CB GLU B 7 2.829 -24.028 -14.303 1.00 0.00 C ATOM 602 CG GLU B 7 2.645 -24.100 -12.786 1.00 0.00 C ATOM 603 CD GLU B 7 3.148 -25.451 -12.274 1.00 0.00 C ATOM 604 OE1 GLU B 7 3.906 -26.088 -12.986 1.00 0.00 O ATOM 605 OE2 GLU B 7 2.765 -25.826 -11.178 1.00 0.00 O ATOM 0 H GLU B 7 0.907 -23.404 -16.749 1.00 0.00 H new ATOM 0 HA GLU B 7 1.309 -22.473 -14.108 1.00 0.00 H new ATOM 0 HB2 GLU B 7 2.644 -25.005 -14.749 1.00 0.00 H new ATOM 0 HB3 GLU B 7 3.858 -23.758 -14.543 1.00 0.00 H new ATOM 0 HG2 GLU B 7 3.192 -23.290 -12.304 1.00 0.00 H new ATOM 0 HG3 GLU B 7 1.593 -23.971 -12.530 1.00 0.00 H new ATOM 612 N GLY B 8 1.935 -21.083 -16.381 1.00 0.00 N ATOM 613 CA GLY B 8 2.625 -20.024 -17.170 1.00 0.00 C ATOM 614 C GLY B 8 1.593 -19.025 -17.699 1.00 0.00 C ATOM 615 O GLY B 8 1.611 -18.652 -18.854 1.00 0.00 O ATOM 0 H GLY B 8 0.917 -21.080 -16.446 1.00 0.00 H new ATOM 0 HA2 GLY B 8 3.357 -19.511 -16.547 1.00 0.00 H new ATOM 0 HA3 GLY B 8 3.171 -20.472 -18.000 1.00 0.00 H new ATOM 619 N SER B 9 0.693 -18.588 -16.860 1.00 0.00 N ATOM 620 CA SER B 9 -0.336 -17.614 -17.313 1.00 0.00 C ATOM 621 C SER B 9 -1.117 -17.073 -16.113 1.00 0.00 C ATOM 622 O SER B 9 -2.277 -17.382 -15.924 1.00 0.00 O ATOM 623 CB SER B 9 -1.255 -18.407 -18.241 1.00 0.00 C ATOM 624 OG SER B 9 -1.321 -19.756 -17.795 1.00 0.00 O ATOM 0 H SER B 9 0.627 -18.865 -15.880 1.00 0.00 H new ATOM 0 HA SER B 9 0.104 -16.754 -17.818 1.00 0.00 H new ATOM 0 HB2 SER B 9 -2.251 -17.965 -18.250 1.00 0.00 H new ATOM 0 HB3 SER B 9 -0.880 -18.368 -19.264 1.00 0.00 H new ATOM 0 HG SER B 9 -2.028 -20.228 -18.283 1.00 0.00 H new ATOM 630 N TYR B 10 -0.491 -16.265 -15.302 1.00 0.00 N ATOM 631 CA TYR B 10 -1.200 -15.704 -14.115 1.00 0.00 C ATOM 632 C TYR B 10 -0.267 -14.774 -13.334 1.00 0.00 C ATOM 633 O TYR B 10 0.303 -15.152 -12.329 1.00 0.00 O ATOM 634 CB TYR B 10 -1.578 -16.920 -13.268 1.00 0.00 C ATOM 635 CG TYR B 10 -2.817 -16.609 -12.463 1.00 0.00 C ATOM 636 CD1 TYR B 10 -3.095 -15.289 -12.083 1.00 0.00 C ATOM 637 CD2 TYR B 10 -3.689 -17.640 -12.096 1.00 0.00 C ATOM 638 CE1 TYR B 10 -4.243 -15.002 -11.336 1.00 0.00 C ATOM 639 CE2 TYR B 10 -4.839 -17.353 -11.349 1.00 0.00 C ATOM 640 CZ TYR B 10 -5.116 -16.034 -10.969 1.00 0.00 C ATOM 641 OH TYR B 10 -6.248 -15.751 -10.234 1.00 0.00 O ATOM 0 H TYR B 10 0.479 -15.969 -15.409 1.00 0.00 H new ATOM 0 HA TYR B 10 -2.074 -15.116 -14.395 1.00 0.00 H new ATOM 0 HB2 TYR B 10 -1.756 -17.782 -13.910 1.00 0.00 H new ATOM 0 HB3 TYR B 10 -0.756 -17.183 -12.602 1.00 0.00 H new ATOM 0 HD1 TYR B 10 -2.423 -14.493 -12.367 1.00 0.00 H new ATOM 0 HD2 TYR B 10 -3.475 -18.657 -12.389 1.00 0.00 H new ATOM 0 HE1 TYR B 10 -4.456 -13.985 -11.042 1.00 0.00 H new ATOM 0 HE2 TYR B 10 -5.512 -18.149 -11.066 1.00 0.00 H new ATOM 0 HH TYR B 10 -6.744 -16.579 -10.065 1.00 0.00 H new ATOM 651 N ASP B 11 -0.109 -13.560 -13.785 1.00 0.00 N ATOM 652 CA ASP B 11 0.781 -12.609 -13.071 1.00 0.00 C ATOM 653 C ASP B 11 0.613 -11.197 -13.639 1.00 0.00 C ATOM 654 O ASP B 11 0.659 -10.219 -12.920 1.00 0.00 O ATOM 655 CB ASP B 11 2.196 -13.128 -13.326 1.00 0.00 C ATOM 656 CG ASP B 11 3.213 -12.039 -12.981 1.00 0.00 C ATOM 657 OD1 ASP B 11 3.237 -11.620 -11.835 1.00 0.00 O ATOM 658 OD2 ASP B 11 3.950 -11.641 -13.867 1.00 0.00 O ATOM 0 H ASP B 11 -0.561 -13.187 -14.620 1.00 0.00 H new ATOM 0 HA ASP B 11 0.554 -12.549 -12.007 1.00 0.00 H new ATOM 0 HB2 ASP B 11 2.382 -14.017 -12.724 1.00 0.00 H new ATOM 0 HB3 ASP B 11 2.303 -13.422 -14.370 1.00 0.00 H new ATOM 663 N LEU B 12 0.419 -11.085 -14.925 1.00 0.00 N ATOM 664 CA LEU B 12 0.248 -9.738 -15.539 1.00 0.00 C ATOM 665 C LEU B 12 -0.656 -8.867 -14.662 1.00 0.00 C ATOM 666 O LEU B 12 -1.699 -9.296 -14.209 1.00 0.00 O ATOM 667 CB LEU B 12 -0.409 -10.002 -16.894 1.00 0.00 C ATOM 668 CG LEU B 12 0.581 -10.721 -17.811 1.00 0.00 C ATOM 669 CD1 LEU B 12 -0.105 -11.065 -19.134 1.00 0.00 C ATOM 670 CD2 LEU B 12 1.780 -9.809 -18.082 1.00 0.00 C ATOM 0 H LEU B 12 0.372 -11.868 -15.577 1.00 0.00 H new ATOM 0 HA LEU B 12 1.194 -9.207 -15.642 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -1.306 -10.608 -16.763 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -0.723 -9.062 -17.347 1.00 0.00 H new ATOM 0 HG LEU B 12 0.922 -11.637 -17.329 1.00 0.00 H new ATOM 0 HD11 LEU B 12 0.601 -11.578 -19.787 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -0.959 -11.714 -18.943 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -0.446 -10.149 -19.616 1.00 0.00 H new ATOM 0 HD21 LEU B 12 2.486 -10.321 -18.736 1.00 0.00 H new ATOM 0 HD22 LEU B 12 1.439 -8.893 -18.563 1.00 0.00 H new ATOM 0 HD23 LEU B 12 2.270 -9.563 -17.140 1.00 0.00 H new ATOM 682 N GLY B 13 -0.263 -7.646 -14.416 1.00 0.00 N ATOM 683 CA GLY B 13 -1.099 -6.751 -13.566 1.00 0.00 C ATOM 684 C GLY B 13 -2.327 -6.290 -14.354 1.00 0.00 C ATOM 685 O GLY B 13 -3.447 -6.640 -14.035 1.00 0.00 O ATOM 0 H GLY B 13 0.600 -7.230 -14.767 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -1.411 -7.277 -12.664 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -0.515 -5.888 -13.246 1.00 0.00 H new ATOM 689 N LYS B 14 -2.130 -5.508 -15.380 1.00 0.00 N ATOM 690 CA LYS B 14 -3.290 -5.028 -16.182 1.00 0.00 C ATOM 691 C LYS B 14 -2.804 -4.357 -17.474 1.00 0.00 C ATOM 692 O LYS B 14 -2.380 -5.019 -18.400 1.00 0.00 O ATOM 693 CB LYS B 14 -4.011 -4.028 -15.275 1.00 0.00 C ATOM 694 CG LYS B 14 -5.244 -3.481 -15.996 1.00 0.00 C ATOM 695 CD LYS B 14 -6.378 -4.508 -15.919 1.00 0.00 C ATOM 696 CE LYS B 14 -7.323 -4.141 -14.773 1.00 0.00 C ATOM 697 NZ LYS B 14 -8.259 -5.293 -14.665 1.00 0.00 N ATOM 0 H LYS B 14 -1.217 -5.181 -15.697 1.00 0.00 H new ATOM 0 HA LYS B 14 -3.950 -5.840 -16.488 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -4.306 -4.512 -14.344 1.00 0.00 H new ATOM 0 HB3 LYS B 14 -3.339 -3.211 -15.010 1.00 0.00 H new ATOM 0 HG2 LYS B 14 -5.558 -2.542 -15.541 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -5.004 -3.266 -17.037 1.00 0.00 H new ATOM 0 HD2 LYS B 14 -6.925 -4.533 -16.862 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -5.969 -5.506 -15.762 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -6.776 -3.988 -13.843 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -7.858 -3.215 -14.983 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -8.940 -5.116 -13.899 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -8.771 -5.410 -15.563 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 -7.721 -6.159 -14.458 1.00 0.00 H new ATOM 711 N LYS B 15 -2.863 -3.055 -17.551 1.00 0.00 N ATOM 712 CA LYS B 15 -2.402 -2.365 -18.791 1.00 0.00 C ATOM 713 C LYS B 15 -1.509 -1.173 -18.436 1.00 0.00 C ATOM 714 O LYS B 15 -1.827 -0.402 -17.551 1.00 0.00 O ATOM 715 CB LYS B 15 -3.684 -1.889 -19.478 1.00 0.00 C ATOM 716 CG LYS B 15 -4.297 -3.044 -20.271 1.00 0.00 C ATOM 717 CD LYS B 15 -4.151 -2.769 -21.769 1.00 0.00 C ATOM 718 CE LYS B 15 -3.271 -3.846 -22.403 1.00 0.00 C ATOM 719 NZ LYS B 15 -3.276 -3.538 -23.861 1.00 0.00 N ATOM 0 H LYS B 15 -3.209 -2.441 -16.813 1.00 0.00 H new ATOM 0 HA LYS B 15 -1.813 -3.020 -19.433 1.00 0.00 H new ATOM 0 HB2 LYS B 15 -4.394 -1.527 -18.735 1.00 0.00 H new ATOM 0 HB3 LYS B 15 -3.464 -1.054 -20.143 1.00 0.00 H new ATOM 0 HG2 LYS B 15 -3.802 -3.980 -20.012 1.00 0.00 H new ATOM 0 HG3 LYS B 15 -5.350 -3.158 -20.012 1.00 0.00 H new ATOM 0 HD2 LYS B 15 -5.132 -2.759 -22.245 1.00 0.00 H new ATOM 0 HD3 LYS B 15 -3.710 -1.785 -21.927 1.00 0.00 H new ATOM 0 HE2 LYS B 15 -2.260 -3.819 -21.997 1.00 0.00 H new ATOM 0 HE3 LYS B 15 -3.666 -4.843 -22.209 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 -2.692 -4.235 -24.365 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 -4.251 -3.578 -24.221 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 -2.888 -2.585 -24.016 1.00 0.00 H new ATOM 733 N PRO B 16 -0.418 -1.064 -19.144 1.00 0.00 N ATOM 734 CA PRO B 16 0.540 0.046 -18.907 1.00 0.00 C ATOM 735 C PRO B 16 -0.035 1.369 -19.419 1.00 0.00 C ATOM 736 O PRO B 16 -0.848 1.398 -20.321 1.00 0.00 O ATOM 737 CB PRO B 16 1.767 -0.363 -19.717 1.00 0.00 C ATOM 738 CG PRO B 16 1.243 -1.269 -20.785 1.00 0.00 C ATOM 739 CD PRO B 16 0.023 -1.953 -20.224 1.00 0.00 C ATOM 0 HA PRO B 16 0.763 0.202 -17.851 1.00 0.00 H new ATOM 0 HB2 PRO B 16 2.264 0.507 -20.147 1.00 0.00 H new ATOM 0 HB3 PRO B 16 2.500 -0.873 -19.092 1.00 0.00 H new ATOM 0 HG2 PRO B 16 0.990 -0.702 -21.681 1.00 0.00 H new ATOM 0 HG3 PRO B 16 1.997 -2.001 -21.074 1.00 0.00 H new ATOM 0 HD2 PRO B 16 -0.751 -2.074 -20.982 1.00 0.00 H new ATOM 0 HD3 PRO B 16 0.261 -2.949 -19.849 1.00 0.00 H new ATOM 747 N ILE B 17 0.385 2.465 -18.849 1.00 0.00 N ATOM 748 CA ILE B 17 -0.130 3.788 -19.301 1.00 0.00 C ATOM 749 C ILE B 17 1.031 4.774 -19.412 1.00 0.00 C ATOM 750 O ILE B 17 2.174 4.419 -19.221 1.00 0.00 O ATOM 751 CB ILE B 17 -1.115 4.259 -18.226 1.00 0.00 C ATOM 752 CG1 ILE B 17 -1.837 3.070 -17.577 1.00 0.00 C ATOM 753 CG2 ILE B 17 -2.153 5.184 -18.865 1.00 0.00 C ATOM 754 CD1 ILE B 17 -2.488 3.529 -16.272 1.00 0.00 C ATOM 0 H ILE B 17 1.064 2.501 -18.088 1.00 0.00 H new ATOM 0 HA ILE B 17 -0.614 3.720 -20.275 1.00 0.00 H new ATOM 0 HB ILE B 17 -0.555 4.788 -17.455 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -2.593 2.674 -18.255 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -1.131 2.263 -17.381 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -2.857 5.522 -18.104 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -1.651 6.046 -19.304 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -2.692 4.643 -19.643 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -3.002 2.688 -15.807 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -1.721 3.905 -15.595 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -3.206 4.322 -16.483 1.00 0.00 H new ATOM 766 N TYR B 18 0.752 6.011 -19.711 1.00 0.00 N ATOM 767 CA TYR B 18 1.851 7.011 -19.824 1.00 0.00 C ATOM 768 C TYR B 18 1.272 8.423 -19.942 1.00 0.00 C ATOM 769 O TYR B 18 1.202 8.990 -21.014 1.00 0.00 O ATOM 770 CB TYR B 18 2.607 6.627 -21.097 1.00 0.00 C ATOM 771 CG TYR B 18 4.008 6.190 -20.739 1.00 0.00 C ATOM 772 CD1 TYR B 18 5.011 7.147 -20.549 1.00 0.00 C ATOM 773 CD2 TYR B 18 4.304 4.828 -20.596 1.00 0.00 C ATOM 774 CE1 TYR B 18 6.310 6.745 -20.217 1.00 0.00 C ATOM 775 CE2 TYR B 18 5.604 4.425 -20.265 1.00 0.00 C ATOM 776 CZ TYR B 18 6.606 5.384 -20.075 1.00 0.00 C ATOM 777 OH TYR B 18 7.886 4.987 -19.749 1.00 0.00 O ATOM 0 H TYR B 18 -0.186 6.373 -19.882 1.00 0.00 H new ATOM 0 HA TYR B 18 2.503 7.011 -18.950 1.00 0.00 H new ATOM 0 HB2 TYR B 18 2.085 5.822 -21.614 1.00 0.00 H new ATOM 0 HB3 TYR B 18 2.643 7.475 -21.781 1.00 0.00 H new ATOM 0 HD1 TYR B 18 4.783 8.197 -20.659 1.00 0.00 H new ATOM 0 HD2 TYR B 18 3.530 4.089 -20.741 1.00 0.00 H new ATOM 0 HE1 TYR B 18 7.084 7.484 -20.070 1.00 0.00 H new ATOM 0 HE2 TYR B 18 5.833 3.375 -20.156 1.00 0.00 H new ATOM 0 HH TYR B 18 7.920 4.009 -19.688 1.00 0.00 H new ATOM 787 N LYS B 19 0.855 8.995 -18.845 1.00 0.00 N ATOM 788 CA LYS B 19 0.281 10.369 -18.892 1.00 0.00 C ATOM 789 C LYS B 19 0.776 11.191 -17.699 1.00 0.00 C ATOM 790 O LYS B 19 1.017 10.667 -16.629 1.00 0.00 O ATOM 791 CB LYS B 19 -1.233 10.168 -18.814 1.00 0.00 C ATOM 792 CG LYS B 19 -1.748 9.639 -20.154 1.00 0.00 C ATOM 793 CD LYS B 19 -2.850 10.561 -20.678 1.00 0.00 C ATOM 794 CE LYS B 19 -2.844 10.548 -22.209 1.00 0.00 C ATOM 795 NZ LYS B 19 -4.019 11.372 -22.605 1.00 0.00 N ATOM 0 H LYS B 19 0.887 8.570 -17.918 1.00 0.00 H new ATOM 0 HA LYS B 19 0.575 10.909 -19.792 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -1.477 9.466 -18.016 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -1.723 11.110 -18.570 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -0.931 9.586 -20.874 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -2.133 8.627 -20.033 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -3.820 10.233 -20.305 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -2.694 11.576 -20.312 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -1.918 10.966 -22.604 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -2.926 9.532 -22.596 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -4.082 11.411 -23.642 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -4.887 10.947 -22.221 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -3.910 12.335 -22.229 1.00 0.00 H new ATOM 809 N LYS B 20 0.929 12.475 -17.873 1.00 0.00 N ATOM 810 CA LYS B 20 1.407 13.332 -16.750 1.00 0.00 C ATOM 811 C LYS B 20 1.725 14.740 -17.258 1.00 0.00 C ATOM 812 O LYS B 20 2.343 14.914 -18.289 1.00 0.00 O ATOM 813 CB LYS B 20 2.675 12.648 -16.236 1.00 0.00 C ATOM 814 CG LYS B 20 2.480 12.243 -14.774 1.00 0.00 C ATOM 815 CD LYS B 20 2.826 13.427 -13.866 1.00 0.00 C ATOM 816 CE LYS B 20 1.535 14.063 -13.343 1.00 0.00 C ATOM 817 NZ LYS B 20 1.714 15.526 -13.559 1.00 0.00 N ATOM 0 H LYS B 20 0.743 12.969 -18.746 1.00 0.00 H new ATOM 0 HA LYS B 20 0.657 13.438 -15.966 1.00 0.00 H new ATOM 0 HB2 LYS B 20 2.898 11.769 -16.841 1.00 0.00 H new ATOM 0 HB3 LYS B 20 3.527 13.322 -16.327 1.00 0.00 H new ATOM 0 HG2 LYS B 20 1.449 11.931 -14.606 1.00 0.00 H new ATOM 0 HG3 LYS B 20 3.114 11.389 -14.534 1.00 0.00 H new ATOM 0 HD2 LYS B 20 3.443 13.092 -13.032 1.00 0.00 H new ATOM 0 HD3 LYS B 20 3.410 14.164 -14.418 1.00 0.00 H new ATOM 0 HE2 LYS B 20 0.664 13.688 -13.880 1.00 0.00 H new ATOM 0 HE3 LYS B 20 1.381 13.835 -12.288 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 0.794 15.961 -13.772 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 2.110 15.958 -12.700 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 2.363 15.682 -14.356 1.00 0.00 H new ATOM 831 N ALA B 21 1.307 15.748 -16.541 1.00 0.00 N ATOM 832 CA ALA B 21 1.586 17.144 -16.984 1.00 0.00 C ATOM 833 C ALA B 21 1.408 18.115 -15.814 1.00 0.00 C ATOM 834 O ALA B 21 0.315 18.572 -15.546 1.00 0.00 O ATOM 835 CB ALA B 21 0.554 17.427 -18.076 1.00 0.00 C ATOM 0 H ALA B 21 0.785 15.665 -15.669 1.00 0.00 H new ATOM 0 HA ALA B 21 2.607 17.266 -17.346 1.00 0.00 H new ATOM 0 HB1 ALA B 21 0.694 18.439 -18.455 1.00 0.00 H new ATOM 0 HB2 ALA B 21 0.681 16.714 -18.890 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -0.450 17.330 -17.662 1.00 0.00 H new ATOM 841 N PRO B 22 2.500 18.397 -15.155 1.00 0.00 N ATOM 842 CA PRO B 22 2.473 19.325 -13.998 1.00 0.00 C ATOM 843 C PRO B 22 2.287 20.769 -14.473 1.00 0.00 C ATOM 844 O PRO B 22 2.947 21.220 -15.389 1.00 0.00 O ATOM 845 CB PRO B 22 3.845 19.136 -13.357 1.00 0.00 C ATOM 846 CG PRO B 22 4.725 18.643 -14.462 1.00 0.00 C ATOM 847 CD PRO B 22 3.847 17.884 -15.424 1.00 0.00 C ATOM 0 HA PRO B 22 1.653 19.126 -13.308 1.00 0.00 H new ATOM 0 HB2 PRO B 22 4.219 20.072 -12.943 1.00 0.00 H new ATOM 0 HB3 PRO B 22 3.802 18.419 -12.537 1.00 0.00 H new ATOM 0 HG2 PRO B 22 5.216 19.477 -14.964 1.00 0.00 H new ATOM 0 HG3 PRO B 22 5.512 17.999 -14.069 1.00 0.00 H new ATOM 0 HD2 PRO B 22 4.142 18.061 -16.458 1.00 0.00 H new ATOM 0 HD3 PRO B 22 3.906 16.809 -15.255 1.00 0.00 H new ATOM 855 N THR B 23 1.393 21.495 -13.860 1.00 0.00 N ATOM 856 CA THR B 23 1.163 22.908 -14.276 1.00 0.00 C ATOM 857 C THR B 23 2.499 23.606 -14.545 1.00 0.00 C ATOM 858 O THR B 23 3.442 23.472 -13.791 1.00 0.00 O ATOM 859 CB THR B 23 0.446 23.557 -13.092 1.00 0.00 C ATOM 860 OG1 THR B 23 0.907 22.972 -11.882 1.00 0.00 O ATOM 861 CG2 THR B 23 -1.062 23.340 -13.225 1.00 0.00 C ATOM 0 H THR B 23 0.811 21.170 -13.088 1.00 0.00 H new ATOM 0 HA THR B 23 0.580 22.979 -15.194 1.00 0.00 H new ATOM 0 HB THR B 23 0.657 24.626 -13.081 1.00 0.00 H new ATOM 0 HG1 THR B 23 0.243 22.329 -11.555 1.00 0.00 H new ATOM 0 HG21 THR B 23 -1.572 23.803 -12.380 1.00 0.00 H new ATOM 0 HG22 THR B 23 -1.414 23.791 -14.153 1.00 0.00 H new ATOM 0 HG23 THR B 23 -1.276 22.271 -13.237 1.00 0.00 H new ATOM 869 N ASN B 24 2.586 24.350 -15.613 1.00 0.00 N ATOM 870 CA ASN B 24 3.862 25.056 -15.928 1.00 0.00 C ATOM 871 C ASN B 24 4.222 26.026 -14.799 1.00 0.00 C ATOM 872 O ASN B 24 3.405 26.348 -13.959 1.00 0.00 O ATOM 873 CB ASN B 24 3.582 25.820 -17.223 1.00 0.00 C ATOM 874 CG ASN B 24 3.082 24.848 -18.292 1.00 0.00 C ATOM 875 OD1 ASN B 24 3.459 23.693 -18.304 1.00 0.00 O ATOM 876 ND2 ASN B 24 2.241 25.268 -19.197 1.00 0.00 N ATOM 0 H ASN B 24 1.830 24.500 -16.281 1.00 0.00 H new ATOM 0 HA ASN B 24 4.700 24.367 -16.034 1.00 0.00 H new ATOM 0 HB2 ASN B 24 2.838 26.596 -17.046 1.00 0.00 H new ATOM 0 HB3 ASN B 24 4.488 26.319 -17.566 1.00 0.00 H new ATOM 0 HD21 ASN B 24 1.901 24.627 -19.914 1.00 0.00 H new ATOM 0 HD22 ASN B 24 1.924 26.237 -19.188 1.00 0.00 H new ATOM 883 N GLU B 25 5.441 26.493 -14.772 1.00 0.00 N ATOM 884 CA GLU B 25 5.852 27.441 -13.697 1.00 0.00 C ATOM 885 C GLU B 25 7.225 28.039 -14.016 1.00 0.00 C ATOM 886 O GLU B 25 8.003 27.472 -14.757 1.00 0.00 O ATOM 887 CB GLU B 25 5.917 26.595 -12.426 1.00 0.00 C ATOM 888 CG GLU B 25 5.263 27.355 -11.270 1.00 0.00 C ATOM 889 CD GLU B 25 6.319 27.685 -10.214 1.00 0.00 C ATOM 890 OE1 GLU B 25 7.165 28.521 -10.490 1.00 0.00 O ATOM 891 OE2 GLU B 25 6.265 27.097 -9.147 1.00 0.00 O ATOM 0 H GLU B 25 6.169 26.259 -15.447 1.00 0.00 H new ATOM 0 HA GLU B 25 5.159 28.276 -13.595 1.00 0.00 H new ATOM 0 HB2 GLU B 25 5.408 25.644 -12.584 1.00 0.00 H new ATOM 0 HB3 GLU B 25 6.954 26.365 -12.183 1.00 0.00 H new ATOM 0 HG2 GLU B 25 4.802 28.272 -11.638 1.00 0.00 H new ATOM 0 HG3 GLU B 25 4.468 26.754 -10.829 1.00 0.00 H new ATOM 898 N PHE B 26 7.528 29.181 -13.462 1.00 0.00 N ATOM 899 CA PHE B 26 8.851 29.813 -13.734 1.00 0.00 C ATOM 900 C PHE B 26 8.983 30.145 -15.222 1.00 0.00 C ATOM 901 O PHE B 26 8.107 29.854 -16.013 1.00 0.00 O ATOM 902 CB PHE B 26 9.884 28.762 -13.325 1.00 0.00 C ATOM 903 CG PHE B 26 10.942 29.406 -12.461 1.00 0.00 C ATOM 904 CD1 PHE B 26 10.678 29.674 -11.113 1.00 0.00 C ATOM 905 CD2 PHE B 26 12.188 29.733 -13.009 1.00 0.00 C ATOM 906 CE1 PHE B 26 11.659 30.271 -10.312 1.00 0.00 C ATOM 907 CE2 PHE B 26 13.170 30.329 -12.209 1.00 0.00 C ATOM 908 CZ PHE B 26 12.905 30.598 -10.860 1.00 0.00 C ATOM 0 H PHE B 26 6.918 29.704 -12.833 1.00 0.00 H new ATOM 0 HA PHE B 26 8.982 30.747 -13.188 1.00 0.00 H new ATOM 0 HB2 PHE B 26 9.399 27.952 -12.781 1.00 0.00 H new ATOM 0 HB3 PHE B 26 10.341 28.322 -14.211 1.00 0.00 H new ATOM 0 HD1 PHE B 26 9.717 29.420 -10.690 1.00 0.00 H new ATOM 0 HD2 PHE B 26 12.392 29.525 -14.049 1.00 0.00 H new ATOM 0 HE1 PHE B 26 11.455 30.479 -9.272 1.00 0.00 H new ATOM 0 HE2 PHE B 26 14.131 30.581 -12.632 1.00 0.00 H new ATOM 0 HZ PHE B 26 13.662 31.058 -10.242 1.00 0.00 H new ATOM 918 N TYR B 27 10.070 30.752 -15.611 1.00 0.00 N ATOM 919 CA TYR B 27 10.257 31.102 -17.049 1.00 0.00 C ATOM 920 C TYR B 27 11.660 30.702 -17.513 1.00 0.00 C ATOM 921 O TYR B 27 11.834 29.750 -18.247 1.00 0.00 O ATOM 922 CB TYR B 27 10.082 32.619 -17.113 1.00 0.00 C ATOM 923 CG TYR B 27 10.434 33.109 -18.498 1.00 0.00 C ATOM 924 CD1 TYR B 27 10.088 32.344 -19.619 1.00 0.00 C ATOM 925 CD2 TYR B 27 11.105 34.325 -18.660 1.00 0.00 C ATOM 926 CE1 TYR B 27 10.414 32.798 -20.903 1.00 0.00 C ATOM 927 CE2 TYR B 27 11.431 34.779 -19.944 1.00 0.00 C ATOM 928 CZ TYR B 27 11.085 34.015 -21.066 1.00 0.00 C ATOM 929 OH TYR B 27 11.406 34.462 -22.331 1.00 0.00 O ATOM 0 H TYR B 27 10.838 31.021 -14.996 1.00 0.00 H new ATOM 0 HA TYR B 27 9.550 30.583 -17.696 1.00 0.00 H new ATOM 0 HB2 TYR B 27 9.054 32.888 -16.871 1.00 0.00 H new ATOM 0 HB3 TYR B 27 10.720 33.101 -16.372 1.00 0.00 H new ATOM 0 HD1 TYR B 27 9.570 31.405 -19.493 1.00 0.00 H new ATOM 0 HD2 TYR B 27 11.372 34.914 -17.795 1.00 0.00 H new ATOM 0 HE1 TYR B 27 10.147 32.209 -21.768 1.00 0.00 H new ATOM 0 HE2 TYR B 27 11.949 35.718 -20.069 1.00 0.00 H new ATOM 0 HH TYR B 27 11.869 35.324 -22.266 1.00 0.00 H new ATOM 939 N ALA B 28 12.663 31.422 -17.090 1.00 0.00 N ATOM 940 CA ALA B 28 14.053 31.083 -17.508 1.00 0.00 C ATOM 941 C ALA B 28 14.205 31.246 -19.022 1.00 0.00 C ATOM 942 O ALA B 28 14.978 30.502 -19.603 1.00 0.00 O ATOM 943 CB ALA B 28 14.242 29.621 -17.103 1.00 0.00 C ATOM 944 OXT ALA B 28 13.546 32.111 -19.575 1.00 0.00 O ATOM 0 H ALA B 28 12.580 32.230 -16.473 1.00 0.00 H new ATOM 0 HA ALA B 28 14.795 31.733 -17.044 1.00 0.00 H new ATOM 0 HB1 ALA B 28 15.245 29.294 -17.378 1.00 0.00 H new ATOM 0 HB2 ALA B 28 14.111 29.522 -16.025 1.00 0.00 H new ATOM 0 HB3 ALA B 28 13.506 29.003 -17.617 1.00 0.00 H new TER 950 ALA B 28