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+ -150:sc= -0.123 (180deg=-1.14) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot -174:sc= 1.99 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0329) 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+ -129:sc= 0 (180deg=-0.175) USER MOD Single : A 20 LYS NZ :NH3+ -164:sc= -0.0105 (180deg=-0.349) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.234 K(o=-0.23,f=-1.5!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 ARG N :NH3+ -135:sc= -0.129 (180deg=-1.09) 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+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 SER OG : rot -178:sc= 1.21 USER MOD Single : B 10 TYR OH : rot 180:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ -108:sc= 0 (180deg=-0.031) 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+ 153:sc= -0.0173 (180deg=-0.189) USER MOD Single : B 20 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.341) USER MOD Single : B 23 THR OG1 : rot 180:sc= 0 USER MOD Single : B 24 ASN : amide:sc= -0.18 K(o=-0.18,f=-1.6!) USER MOD Single : B 27 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 19.887 -8.558 -33.442 1.00 0.00 N ATOM 2 CA ARG A 1 18.395 -8.544 -33.432 1.00 0.00 C ATOM 3 C ARG A 1 17.876 -8.549 -31.993 1.00 0.00 C ATOM 4 O ARG A 1 17.409 -9.554 -31.494 1.00 0.00 O ATOM 5 CB ARG A 1 17.984 -9.826 -34.158 1.00 0.00 C ATOM 6 CG ARG A 1 18.389 -9.732 -35.630 1.00 0.00 C ATOM 7 CD ARG A 1 18.105 -11.067 -36.323 1.00 0.00 C ATOM 8 NE ARG A 1 17.707 -10.702 -37.712 1.00 0.00 N ATOM 9 CZ ARG A 1 17.304 -11.628 -38.540 1.00 0.00 C ATOM 10 NH1 ARG A 1 18.012 -12.713 -38.699 1.00 0.00 N ATOM 11 NH2 ARG A 1 16.194 -11.468 -39.208 1.00 0.00 N ATOM 0 H1 ARG A 1 20.233 -8.065 -34.290 1.00 0.00 H new ATOM 0 H2 ARG A 1 20.244 -8.077 -32.592 1.00 0.00 H new ATOM 0 H3 ARG A 1 20.225 -9.542 -33.451 1.00 0.00 H new ATOM 0 HA ARG A 1 17.986 -7.655 -33.912 1.00 0.00 H new ATOM 0 HB2 ARG A 1 18.461 -10.689 -33.693 1.00 0.00 H new ATOM 0 HB3 ARG A 1 16.907 -9.974 -34.075 1.00 0.00 H new ATOM 0 HG2 ARG A 1 17.836 -8.931 -36.120 1.00 0.00 H new ATOM 0 HG3 ARG A 1 19.448 -9.485 -35.712 1.00 0.00 H new ATOM 0 HD2 ARG A 1 18.986 -11.709 -36.320 1.00 0.00 H new ATOM 0 HD3 ARG A 1 17.311 -11.614 -35.815 1.00 0.00 H new ATOM 0 HE ARG A 1 17.749 -9.729 -38.016 1.00 0.00 H new ATOM 0 HH11 ARG A 1 18.879 -12.837 -38.177 1.00 0.00 H new ATOM 0 HH12 ARG A 1 17.698 -13.437 -39.345 1.00 0.00 H new ATOM 0 HH21 ARG A 1 15.641 -10.620 -39.083 1.00 0.00 H new ATOM 0 HH22 ARG A 1 15.879 -12.191 -39.855 1.00 0.00 H new ATOM 27 N MET A 2 17.951 -7.433 -31.321 1.00 0.00 N ATOM 28 CA MET A 2 17.460 -7.374 -29.913 1.00 0.00 C ATOM 29 C MET A 2 15.939 -7.202 -29.893 1.00 0.00 C ATOM 30 O MET A 2 15.428 -6.105 -29.996 1.00 0.00 O ATOM 31 CB MET A 2 18.145 -6.150 -29.305 1.00 0.00 C ATOM 32 CG MET A 2 18.430 -6.409 -27.824 1.00 0.00 C ATOM 33 SD MET A 2 18.187 -4.880 -26.886 1.00 0.00 S ATOM 34 CE MET A 2 19.294 -5.278 -25.512 1.00 0.00 C ATOM 0 H MET A 2 18.331 -6.559 -31.685 1.00 0.00 H new ATOM 0 HA MET A 2 17.686 -8.284 -29.358 1.00 0.00 H new ATOM 0 HB2 MET A 2 19.075 -5.940 -29.834 1.00 0.00 H new ATOM 0 HB3 MET A 2 17.509 -5.271 -29.416 1.00 0.00 H new ATOM 0 HG2 MET A 2 17.769 -7.189 -27.446 1.00 0.00 H new ATOM 0 HG3 MET A 2 19.451 -6.768 -27.697 1.00 0.00 H new ATOM 0 HE1 MET A 2 19.298 -4.455 -24.798 1.00 0.00 H new ATOM 0 HE2 MET A 2 18.948 -6.186 -25.017 1.00 0.00 H new ATOM 0 HE3 MET A 2 20.304 -5.434 -25.892 1.00 0.00 H new ATOM 44 N LYS A 3 15.211 -8.276 -29.760 1.00 0.00 N ATOM 45 CA LYS A 3 13.724 -8.171 -29.733 1.00 0.00 C ATOM 46 C LYS A 3 13.116 -9.414 -29.080 1.00 0.00 C ATOM 47 O LYS A 3 12.392 -10.164 -29.705 1.00 0.00 O ATOM 48 CB LYS A 3 13.309 -8.078 -31.202 1.00 0.00 C ATOM 49 CG LYS A 3 12.348 -6.903 -31.388 1.00 0.00 C ATOM 50 CD LYS A 3 11.062 -7.397 -32.055 1.00 0.00 C ATOM 51 CE LYS A 3 10.695 -6.464 -33.211 1.00 0.00 C ATOM 52 NZ LYS A 3 9.213 -6.329 -33.139 1.00 0.00 N ATOM 0 H LYS A 3 15.581 -9.222 -29.669 1.00 0.00 H new ATOM 0 HA LYS A 3 13.381 -7.312 -29.156 1.00 0.00 H new ATOM 0 HB2 LYS A 3 14.189 -7.945 -31.832 1.00 0.00 H new ATOM 0 HB3 LYS A 3 12.830 -9.006 -31.515 1.00 0.00 H new ATOM 0 HG2 LYS A 3 12.119 -6.450 -30.423 1.00 0.00 H new ATOM 0 HG3 LYS A 3 12.815 -6.131 -32.000 1.00 0.00 H new ATOM 0 HD2 LYS A 3 11.198 -8.414 -32.424 1.00 0.00 H new ATOM 0 HD3 LYS A 3 10.251 -7.428 -31.327 1.00 0.00 H new ATOM 0 HE2 LYS A 3 11.185 -5.496 -33.108 1.00 0.00 H new ATOM 0 HE3 LYS A 3 11.008 -6.880 -34.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 8.884 -5.703 -33.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 8.773 -7.265 -33.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 8.946 -5.925 -32.219 1.00 0.00 H new ATOM 66 N LYS A 4 13.402 -9.639 -27.827 1.00 0.00 N ATOM 67 CA LYS A 4 12.839 -10.834 -27.135 1.00 0.00 C ATOM 68 C LYS A 4 12.322 -10.448 -25.746 1.00 0.00 C ATOM 69 O LYS A 4 13.060 -9.960 -24.914 1.00 0.00 O ATOM 70 CB LYS A 4 14.007 -11.813 -27.021 1.00 0.00 C ATOM 71 CG LYS A 4 13.474 -13.202 -26.664 1.00 0.00 C ATOM 72 CD LYS A 4 14.606 -14.227 -26.765 1.00 0.00 C ATOM 73 CE LYS A 4 14.015 -15.638 -26.781 1.00 0.00 C ATOM 74 NZ LYS A 4 13.833 -15.993 -25.345 1.00 0.00 N ATOM 0 H LYS A 4 14.001 -9.047 -27.252 1.00 0.00 H new ATOM 0 HA LYS A 4 11.997 -11.266 -27.677 1.00 0.00 H new ATOM 0 HB2 LYS A 4 14.555 -11.853 -27.962 1.00 0.00 H new ATOM 0 HB3 LYS A 4 14.707 -11.473 -26.258 1.00 0.00 H new ATOM 0 HG2 LYS A 4 13.063 -13.197 -25.654 1.00 0.00 H new ATOM 0 HG3 LYS A 4 12.661 -13.475 -27.337 1.00 0.00 H new ATOM 0 HD2 LYS A 4 15.188 -14.054 -27.670 1.00 0.00 H new ATOM 0 HD3 LYS A 4 15.288 -14.116 -25.922 1.00 0.00 H new ATOM 0 HE2 LYS A 4 13.067 -15.663 -27.318 1.00 0.00 H new ATOM 0 HE3 LYS A 4 14.682 -16.340 -27.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 13.431 -16.949 -25.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 14.753 -15.967 -24.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 13.188 -15.311 -24.898 1.00 0.00 H new ATOM 88 N LYS A 5 11.060 -10.664 -25.491 1.00 0.00 N ATOM 89 CA LYS A 5 10.499 -10.309 -24.156 1.00 0.00 C ATOM 90 C LYS A 5 9.454 -11.343 -23.728 1.00 0.00 C ATOM 91 O LYS A 5 8.501 -11.607 -24.434 1.00 0.00 O ATOM 92 CB LYS A 5 9.847 -8.938 -24.352 1.00 0.00 C ATOM 93 CG LYS A 5 10.032 -8.099 -23.086 1.00 0.00 C ATOM 94 CD LYS A 5 8.968 -7.001 -23.044 1.00 0.00 C ATOM 95 CE LYS A 5 9.487 -5.818 -22.224 1.00 0.00 C ATOM 96 NZ LYS A 5 9.016 -4.607 -22.953 1.00 0.00 N ATOM 0 H LYS A 5 10.394 -11.070 -26.148 1.00 0.00 H new ATOM 0 HA LYS A 5 11.263 -10.290 -23.379 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.294 -8.430 -25.206 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.786 -9.056 -24.571 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.952 -8.732 -22.202 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.028 -7.656 -23.072 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.725 -6.677 -24.056 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.049 -7.387 -22.603 1.00 0.00 H new ATOM 0 HE2 LYS A 5 9.098 -5.842 -21.206 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.574 -5.836 -22.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.334 -3.754 -22.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.408 -4.607 -23.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.977 -4.613 -23.002 1.00 0.00 H new ATOM 110 N ASP A 6 9.626 -11.931 -22.576 1.00 0.00 N ATOM 111 CA ASP A 6 8.643 -12.948 -22.103 1.00 0.00 C ATOM 112 C ASP A 6 7.522 -12.272 -21.308 1.00 0.00 C ATOM 113 O ASP A 6 7.630 -11.126 -20.917 1.00 0.00 O ATOM 114 CB ASP A 6 9.445 -13.889 -21.202 1.00 0.00 C ATOM 115 CG ASP A 6 10.408 -14.716 -22.056 1.00 0.00 C ATOM 116 OD1 ASP A 6 9.960 -15.284 -23.038 1.00 0.00 O ATOM 117 OD2 ASP A 6 11.579 -14.766 -21.713 1.00 0.00 O ATOM 0 H ASP A 6 10.404 -11.752 -21.942 1.00 0.00 H new ATOM 0 HA ASP A 6 8.171 -13.479 -22.930 1.00 0.00 H new ATOM 0 HB2 ASP A 6 10.001 -13.314 -20.461 1.00 0.00 H new ATOM 0 HB3 ASP A 6 8.771 -14.547 -20.654 1.00 0.00 H new ATOM 122 N GLU A 7 6.447 -12.972 -21.069 1.00 0.00 N ATOM 123 CA GLU A 7 5.320 -12.369 -20.300 1.00 0.00 C ATOM 124 C GLU A 7 5.248 -12.984 -18.899 1.00 0.00 C ATOM 125 O GLU A 7 5.988 -13.889 -18.569 1.00 0.00 O ATOM 126 CB GLU A 7 4.066 -12.714 -21.104 1.00 0.00 C ATOM 127 CG GLU A 7 3.680 -11.522 -21.983 1.00 0.00 C ATOM 128 CD GLU A 7 2.985 -12.026 -23.249 1.00 0.00 C ATOM 129 OE1 GLU A 7 2.070 -12.822 -23.121 1.00 0.00 O ATOM 130 OE2 GLU A 7 3.382 -11.608 -24.325 1.00 0.00 O ATOM 0 H GLU A 7 6.300 -13.935 -21.372 1.00 0.00 H new ATOM 0 HA GLU A 7 5.436 -11.293 -20.168 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.248 -13.592 -21.723 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.246 -12.963 -20.430 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.019 -10.851 -21.435 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.568 -10.948 -22.247 1.00 0.00 H new ATOM 137 N GLY A 8 4.360 -12.501 -18.074 1.00 0.00 N ATOM 138 CA GLY A 8 4.243 -13.059 -16.697 1.00 0.00 C ATOM 139 C GLY A 8 3.334 -14.289 -16.720 1.00 0.00 C ATOM 140 O GLY A 8 3.789 -15.412 -16.626 1.00 0.00 O ATOM 0 H GLY A 8 3.711 -11.745 -18.293 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.229 -13.329 -16.318 1.00 0.00 H new ATOM 0 HA3 GLY A 8 3.837 -12.306 -16.021 1.00 0.00 H new ATOM 144 N SER A 9 2.052 -14.087 -16.845 1.00 0.00 N ATOM 145 CA SER A 9 1.112 -15.244 -16.876 1.00 0.00 C ATOM 146 C SER A 9 -0.023 -14.975 -17.867 1.00 0.00 C ATOM 147 O SER A 9 0.002 -15.432 -18.992 1.00 0.00 O ATOM 148 CB SER A 9 0.569 -15.352 -15.451 1.00 0.00 C ATOM 149 OG SER A 9 1.575 -15.893 -14.605 1.00 0.00 O ATOM 0 H SER A 9 1.613 -13.170 -16.927 1.00 0.00 H new ATOM 0 HA SER A 9 1.600 -16.165 -17.195 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.264 -14.370 -15.090 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.317 -15.987 -15.434 1.00 0.00 H new ATOM 0 HG SER A 9 1.200 -16.057 -13.714 1.00 0.00 H new ATOM 155 N TYR A 10 -1.016 -14.233 -17.459 1.00 0.00 N ATOM 156 CA TYR A 10 -2.149 -13.933 -18.382 1.00 0.00 C ATOM 157 C TYR A 10 -2.061 -12.485 -18.869 1.00 0.00 C ATOM 158 O TYR A 10 -1.909 -12.225 -20.046 1.00 0.00 O ATOM 159 CB TYR A 10 -3.412 -14.146 -17.548 1.00 0.00 C ATOM 160 CG TYR A 10 -4.417 -14.933 -18.353 1.00 0.00 C ATOM 161 CD1 TYR A 10 -4.409 -16.333 -18.305 1.00 0.00 C ATOM 162 CD2 TYR A 10 -5.356 -14.265 -19.149 1.00 0.00 C ATOM 163 CE1 TYR A 10 -5.341 -17.065 -19.053 1.00 0.00 C ATOM 164 CE2 TYR A 10 -6.288 -14.996 -19.898 1.00 0.00 C ATOM 165 CZ TYR A 10 -6.280 -16.396 -19.849 1.00 0.00 C ATOM 166 OH TYR A 10 -7.197 -17.118 -20.587 1.00 0.00 O ATOM 0 H TYR A 10 -1.092 -13.822 -16.529 1.00 0.00 H new ATOM 0 HA TYR A 10 -2.139 -14.568 -19.268 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -3.169 -14.679 -16.629 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.835 -13.185 -17.257 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.685 -16.848 -17.692 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.362 -13.186 -19.186 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.335 -18.144 -19.016 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -7.012 -14.481 -20.512 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.776 -16.502 -21.082 1.00 0.00 H new ATOM 176 N ASP A 11 -2.152 -11.539 -17.974 1.00 0.00 N ATOM 177 CA ASP A 11 -2.068 -10.112 -18.395 1.00 0.00 C ATOM 178 C ASP A 11 -1.885 -9.206 -17.178 1.00 0.00 C ATOM 179 O ASP A 11 -2.393 -8.104 -17.127 1.00 0.00 O ATOM 180 CB ASP A 11 -3.397 -9.820 -19.091 1.00 0.00 C ATOM 181 CG ASP A 11 -3.152 -9.603 -20.586 1.00 0.00 C ATOM 182 OD1 ASP A 11 -2.331 -8.763 -20.915 1.00 0.00 O ATOM 183 OD2 ASP A 11 -3.788 -10.281 -21.375 1.00 0.00 O ATOM 0 H ASP A 11 -2.280 -11.692 -16.974 1.00 0.00 H new ATOM 0 HA ASP A 11 -1.218 -9.929 -19.052 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.088 -10.649 -18.941 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.861 -8.935 -18.655 1.00 0.00 H new ATOM 188 N LEU A 12 -1.150 -9.663 -16.205 1.00 0.00 N ATOM 189 CA LEU A 12 -0.917 -8.837 -14.987 1.00 0.00 C ATOM 190 C LEU A 12 0.152 -7.778 -15.265 1.00 0.00 C ATOM 191 O LEU A 12 0.569 -7.055 -14.381 1.00 0.00 O ATOM 192 CB LEU A 12 -0.436 -9.824 -13.922 1.00 0.00 C ATOM 193 CG LEU A 12 0.781 -10.586 -14.446 1.00 0.00 C ATOM 194 CD1 LEU A 12 2.004 -10.246 -13.593 1.00 0.00 C ATOM 195 CD2 LEU A 12 0.510 -12.091 -14.370 1.00 0.00 C ATOM 0 H LEU A 12 -0.698 -10.577 -16.200 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.814 -8.305 -14.670 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.178 -9.291 -13.007 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.235 -10.522 -13.670 1.00 0.00 H new ATOM 0 HG LEU A 12 0.970 -10.301 -15.481 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.871 -10.790 -13.967 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.197 -9.175 -13.645 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.816 -10.531 -12.558 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.377 -12.636 -14.743 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.321 -12.375 -13.335 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.361 -12.335 -14.978 1.00 0.00 H new ATOM 207 N GLY A 13 0.593 -7.674 -16.488 1.00 0.00 N ATOM 208 CA GLY A 13 1.626 -6.655 -16.821 1.00 0.00 C ATOM 209 C GLY A 13 1.002 -5.262 -16.733 1.00 0.00 C ATOM 210 O GLY A 13 1.678 -4.259 -16.840 1.00 0.00 O ATOM 0 H GLY A 13 0.283 -8.250 -17.270 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.468 -6.734 -16.133 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.017 -6.829 -17.824 1.00 0.00 H new ATOM 214 N LYS A 14 -0.288 -5.193 -16.535 1.00 0.00 N ATOM 215 CA LYS A 14 -0.958 -3.869 -16.435 1.00 0.00 C ATOM 216 C LYS A 14 -0.694 -3.248 -15.059 1.00 0.00 C ATOM 217 O LYS A 14 -0.598 -3.941 -14.067 1.00 0.00 O ATOM 218 CB LYS A 14 -2.447 -4.168 -16.619 1.00 0.00 C ATOM 219 CG LYS A 14 -2.663 -4.843 -17.976 1.00 0.00 C ATOM 220 CD LYS A 14 -4.132 -4.713 -18.384 1.00 0.00 C ATOM 221 CE LYS A 14 -4.354 -5.415 -19.726 1.00 0.00 C ATOM 222 NZ LYS A 14 -3.945 -4.418 -20.753 1.00 0.00 N ATOM 0 H LYS A 14 -0.905 -5.999 -16.438 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.592 -3.159 -17.176 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.802 -4.816 -15.817 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.025 -3.245 -16.563 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.024 -4.382 -18.729 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.382 -5.895 -17.920 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.773 -5.154 -17.621 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.407 -3.661 -18.462 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.758 -6.325 -19.799 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.397 -5.706 -19.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.194 -4.772 -21.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.437 -3.518 -20.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.917 -4.266 -20.700 1.00 0.00 H new ATOM 236 N LYS A 15 -0.572 -1.950 -14.990 1.00 0.00 N ATOM 237 CA LYS A 15 -0.311 -1.297 -13.673 1.00 0.00 C ATOM 238 C LYS A 15 -0.832 0.144 -13.680 1.00 0.00 C ATOM 239 O LYS A 15 -0.926 0.767 -14.718 1.00 0.00 O ATOM 240 CB LYS A 15 1.209 -1.320 -13.510 1.00 0.00 C ATOM 241 CG LYS A 15 1.608 -2.505 -12.628 1.00 0.00 C ATOM 242 CD LYS A 15 3.044 -2.318 -12.134 1.00 0.00 C ATOM 243 CE LYS A 15 4.004 -2.356 -13.325 1.00 0.00 C ATOM 244 NZ LYS A 15 4.982 -1.263 -13.063 1.00 0.00 N ATOM 0 H LYS A 15 -0.641 -1.315 -15.785 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.815 -1.810 -12.853 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.689 -1.401 -14.485 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.552 -0.387 -13.062 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.928 -2.585 -11.779 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.525 -3.435 -13.191 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.138 -1.368 -11.608 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.300 -3.103 -11.422 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.502 -3.323 -13.400 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.475 -2.196 -14.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.675 -1.225 -13.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.479 -0.354 -13.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.475 -1.446 -12.166 1.00 0.00 H new ATOM 258 N PRO A 16 -1.158 0.620 -12.509 1.00 0.00 N ATOM 259 CA PRO A 16 -1.682 2.001 -12.362 1.00 0.00 C ATOM 260 C PRO A 16 -0.560 3.029 -12.539 1.00 0.00 C ATOM 261 O PRO A 16 0.607 2.724 -12.390 1.00 0.00 O ATOM 262 CB PRO A 16 -2.221 2.028 -10.933 1.00 0.00 C ATOM 263 CG PRO A 16 -1.452 0.969 -10.208 1.00 0.00 C ATOM 264 CD PRO A 16 -1.071 -0.079 -11.221 1.00 0.00 C ATOM 0 HA PRO A 16 -2.438 2.250 -13.106 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.074 3.006 -10.474 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -3.291 1.823 -10.911 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.563 1.392 -9.739 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.055 0.533 -9.412 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -0.066 -0.460 -11.041 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.747 -0.933 -11.184 1.00 0.00 H new ATOM 272 N ILE A 17 -0.909 4.247 -12.855 1.00 0.00 N ATOM 273 CA ILE A 17 0.122 5.302 -13.045 1.00 0.00 C ATOM 274 C ILE A 17 -0.523 6.684 -12.945 1.00 0.00 C ATOM 275 O ILE A 17 -0.630 7.395 -13.921 1.00 0.00 O ATOM 276 CB ILE A 17 0.677 5.072 -14.450 1.00 0.00 C ATOM 277 CG1 ILE A 17 -0.472 4.774 -15.417 1.00 0.00 C ATOM 278 CG2 ILE A 17 1.648 3.890 -14.431 1.00 0.00 C ATOM 279 CD1 ILE A 17 0.028 4.898 -16.857 1.00 0.00 C ATOM 0 H ILE A 17 -1.872 4.556 -12.990 1.00 0.00 H new ATOM 0 HA ILE A 17 0.905 5.256 -12.288 1.00 0.00 H new ATOM 0 HB ILE A 17 1.203 5.968 -14.780 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.859 3.770 -15.240 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.295 5.468 -15.246 1.00 0.00 H new ATOM 0 HG21 ILE A 17 2.043 3.727 -15.434 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.470 4.105 -13.748 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.124 2.994 -14.098 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.790 4.686 -17.546 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.394 5.910 -17.029 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.837 4.186 -17.024 1.00 0.00 H new ATOM 291 N TYR A 18 -0.963 7.063 -11.776 1.00 0.00 N ATOM 292 CA TYR A 18 -1.619 8.395 -11.613 1.00 0.00 C ATOM 293 C TYR A 18 -0.582 9.518 -11.514 1.00 0.00 C ATOM 294 O TYR A 18 0.547 9.383 -11.941 1.00 0.00 O ATOM 295 CB TYR A 18 -2.406 8.286 -10.307 1.00 0.00 C ATOM 296 CG TYR A 18 -3.885 8.368 -10.597 1.00 0.00 C ATOM 297 CD1 TYR A 18 -4.375 9.348 -11.469 1.00 0.00 C ATOM 298 CD2 TYR A 18 -4.768 7.461 -9.993 1.00 0.00 C ATOM 299 CE1 TYR A 18 -5.749 9.423 -11.738 1.00 0.00 C ATOM 300 CE2 TYR A 18 -6.141 7.536 -10.262 1.00 0.00 C ATOM 301 CZ TYR A 18 -6.631 8.517 -11.136 1.00 0.00 C ATOM 302 OH TYR A 18 -7.984 8.590 -11.400 1.00 0.00 O ATOM 0 H TYR A 18 -0.897 6.507 -10.923 1.00 0.00 H new ATOM 0 HA TYR A 18 -2.253 8.637 -12.466 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.175 7.344 -9.809 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -2.114 9.086 -9.627 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.695 10.046 -11.934 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.390 6.705 -9.321 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -6.127 10.180 -12.410 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -6.822 6.839 -9.796 1.00 0.00 H new ATOM 0 HH TYR A 18 -8.453 7.888 -10.902 1.00 0.00 H new ATOM 312 N LYS A 19 -0.974 10.628 -10.949 1.00 0.00 N ATOM 313 CA LYS A 19 -0.040 11.784 -10.806 1.00 0.00 C ATOM 314 C LYS A 19 0.411 12.283 -12.182 1.00 0.00 C ATOM 315 O LYS A 19 1.418 11.854 -12.710 1.00 0.00 O ATOM 316 CB LYS A 19 1.148 11.245 -10.010 1.00 0.00 C ATOM 317 CG LYS A 19 1.486 12.221 -8.882 1.00 0.00 C ATOM 318 CD LYS A 19 2.900 11.945 -8.371 1.00 0.00 C ATOM 319 CE LYS A 19 2.913 12.012 -6.842 1.00 0.00 C ATOM 320 NZ LYS A 19 2.290 10.734 -6.397 1.00 0.00 N ATOM 0 H LYS A 19 -1.910 10.785 -10.577 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.511 12.630 -10.306 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.910 10.264 -9.598 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.010 11.115 -10.664 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.412 13.247 -9.241 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.768 12.116 -8.069 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.234 10.963 -8.705 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.596 12.675 -8.783 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.929 12.110 -6.459 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.351 12.873 -6.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.533 10.936 -5.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.891 10.238 -7.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.011 10.134 -5.947 1.00 0.00 H new ATOM 334 N LYS A 20 -0.326 13.194 -12.761 1.00 0.00 N ATOM 335 CA LYS A 20 0.059 13.731 -14.099 1.00 0.00 C ATOM 336 C LYS A 20 -0.968 14.762 -14.574 1.00 0.00 C ATOM 337 O LYS A 20 -1.943 14.432 -15.219 1.00 0.00 O ATOM 338 CB LYS A 20 0.071 12.518 -15.030 1.00 0.00 C ATOM 339 CG LYS A 20 0.328 12.982 -16.466 1.00 0.00 C ATOM 340 CD LYS A 20 -0.248 11.957 -17.445 1.00 0.00 C ATOM 341 CE LYS A 20 0.207 12.299 -18.866 1.00 0.00 C ATOM 342 NZ LYS A 20 -0.567 13.518 -19.234 1.00 0.00 N ATOM 0 H LYS A 20 -1.179 13.590 -12.365 1.00 0.00 H new ATOM 0 HA LYS A 20 1.026 14.234 -14.075 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.844 11.815 -14.719 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.881 11.991 -14.971 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.131 13.957 -16.632 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.398 13.100 -16.635 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.085 10.954 -17.176 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.337 11.957 -17.390 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.280 12.486 -18.903 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.003 11.479 -19.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.524 13.659 -20.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.558 13.401 -18.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.160 14.346 -18.754 1.00 0.00 H new ATOM 356 N ALA A 21 -0.754 16.012 -14.262 1.00 0.00 N ATOM 357 CA ALA A 21 -1.716 17.067 -14.695 1.00 0.00 C ATOM 358 C ALA A 21 -1.104 18.456 -14.493 1.00 0.00 C ATOM 359 O ALA A 21 -1.483 19.176 -13.590 1.00 0.00 O ATOM 360 CB ALA A 21 -2.938 16.880 -13.796 1.00 0.00 C ATOM 0 H ALA A 21 0.046 16.349 -13.726 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.972 16.986 -15.751 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.695 17.621 -14.052 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.346 15.880 -13.940 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.645 17.006 -12.754 1.00 0.00 H new ATOM 366 N PRO A 22 -0.172 18.785 -15.346 1.00 0.00 N ATOM 367 CA PRO A 22 0.507 20.102 -15.266 1.00 0.00 C ATOM 368 C PRO A 22 -0.430 21.217 -15.740 1.00 0.00 C ATOM 369 O PRO A 22 -0.216 21.826 -16.769 1.00 0.00 O ATOM 370 CB PRO A 22 1.693 19.950 -16.214 1.00 0.00 C ATOM 371 CG PRO A 22 1.283 18.885 -17.182 1.00 0.00 C ATOM 372 CD PRO A 22 0.333 17.968 -16.455 1.00 0.00 C ATOM 0 HA PRO A 22 0.808 20.369 -14.253 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.910 20.887 -16.727 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.596 19.666 -15.674 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.802 19.324 -18.056 1.00 0.00 H new ATOM 0 HG3 PRO A 22 2.153 18.334 -17.540 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.476 17.635 -17.105 1.00 0.00 H new ATOM 0 HD3 PRO A 22 0.840 17.074 -16.093 1.00 0.00 H new ATOM 380 N THR A 23 -1.468 21.489 -14.998 1.00 0.00 N ATOM 381 CA THR A 23 -2.414 22.565 -15.408 1.00 0.00 C ATOM 382 C THR A 23 -3.243 23.027 -14.206 1.00 0.00 C ATOM 383 O THR A 23 -3.676 22.232 -13.395 1.00 0.00 O ATOM 384 CB THR A 23 -3.313 21.921 -16.464 1.00 0.00 C ATOM 385 OG1 THR A 23 -3.529 20.556 -16.132 1.00 0.00 O ATOM 386 CG2 THR A 23 -2.639 22.015 -17.834 1.00 0.00 C ATOM 0 H THR A 23 -1.702 21.013 -14.127 1.00 0.00 H new ATOM 0 HA THR A 23 -1.898 23.444 -15.794 1.00 0.00 H new ATOM 0 HB THR A 23 -4.270 22.442 -16.495 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.107 20.143 -16.807 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.280 21.556 -18.587 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.474 23.062 -18.087 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.682 21.494 -17.805 1.00 0.00 H new ATOM 394 N ASN A 24 -3.468 24.307 -14.087 1.00 0.00 N ATOM 395 CA ASN A 24 -4.270 24.819 -12.938 1.00 0.00 C ATOM 396 C ASN A 24 -5.732 25.001 -13.354 1.00 0.00 C ATOM 397 O ASN A 24 -6.643 24.678 -12.618 1.00 0.00 O ATOM 398 CB ASN A 24 -3.641 26.166 -12.585 1.00 0.00 C ATOM 399 CG ASN A 24 -4.129 26.611 -11.206 1.00 0.00 C ATOM 400 OD1 ASN A 24 -5.167 26.178 -10.747 1.00 0.00 O ATOM 401 ND2 ASN A 24 -3.419 27.465 -10.520 1.00 0.00 N ATOM 0 H ASN A 24 -3.132 25.020 -14.734 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.264 24.133 -12.091 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.554 26.084 -12.589 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.907 26.911 -13.335 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.736 27.768 -9.599 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.547 27.829 -10.905 1.00 0.00 H new ATOM 408 N GLU A 25 -5.963 25.519 -14.530 1.00 0.00 N ATOM 409 CA GLU A 25 -7.365 25.723 -14.992 1.00 0.00 C ATOM 410 C GLU A 25 -7.685 24.764 -16.142 1.00 0.00 C ATOM 411 O GLU A 25 -6.803 24.226 -16.779 1.00 0.00 O ATOM 412 CB GLU A 25 -7.415 27.172 -15.475 1.00 0.00 C ATOM 413 CG GLU A 25 -8.064 28.048 -14.401 1.00 0.00 C ATOM 414 CD GLU A 25 -9.073 28.993 -15.056 1.00 0.00 C ATOM 415 OE1 GLU A 25 -9.953 28.504 -15.746 1.00 0.00 O ATOM 416 OE2 GLU A 25 -8.949 30.190 -14.857 1.00 0.00 O ATOM 0 H GLU A 25 -5.242 25.809 -15.190 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.093 25.530 -14.204 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.408 27.529 -15.691 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.982 27.237 -16.404 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.562 27.424 -13.659 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.301 28.621 -13.874 1.00 0.00 H new ATOM 423 N PHE A 26 -8.944 24.547 -16.410 1.00 0.00 N ATOM 424 CA PHE A 26 -9.320 23.624 -17.520 1.00 0.00 C ATOM 425 C PHE A 26 -8.656 24.070 -18.825 1.00 0.00 C ATOM 426 O PHE A 26 -7.885 25.009 -18.851 1.00 0.00 O ATOM 427 CB PHE A 26 -10.841 23.733 -17.628 1.00 0.00 C ATOM 428 CG PHE A 26 -11.481 23.080 -16.426 1.00 0.00 C ATOM 429 CD1 PHE A 26 -11.612 21.685 -16.375 1.00 0.00 C ATOM 430 CD2 PHE A 26 -11.944 23.866 -15.362 1.00 0.00 C ATOM 431 CE1 PHE A 26 -12.205 21.078 -15.261 1.00 0.00 C ATOM 432 CE2 PHE A 26 -12.538 23.258 -14.249 1.00 0.00 C ATOM 433 CZ PHE A 26 -12.668 21.864 -14.197 1.00 0.00 C ATOM 0 H PHE A 26 -9.727 24.968 -15.910 1.00 0.00 H new ATOM 0 HA PHE A 26 -8.997 22.600 -17.333 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -11.138 24.780 -17.687 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -11.186 23.252 -18.543 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -11.256 21.079 -17.195 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -11.843 24.941 -15.400 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -12.306 20.003 -15.222 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -12.896 23.864 -13.430 1.00 0.00 H new ATOM 0 HZ PHE A 26 -13.125 21.395 -13.338 1.00 0.00 H new ATOM 443 N TYR A 27 -8.950 23.405 -19.909 1.00 0.00 N ATOM 444 CA TYR A 27 -8.337 23.794 -21.212 1.00 0.00 C ATOM 445 C TYR A 27 -9.232 23.348 -22.372 1.00 0.00 C ATOM 446 O TYR A 27 -10.355 22.924 -22.175 1.00 0.00 O ATOM 447 CB TYR A 27 -6.998 23.057 -21.255 1.00 0.00 C ATOM 448 CG TYR A 27 -7.233 21.573 -21.101 1.00 0.00 C ATOM 449 CD1 TYR A 27 -7.595 20.802 -22.213 1.00 0.00 C ATOM 450 CD2 TYR A 27 -7.087 20.969 -19.846 1.00 0.00 C ATOM 451 CE1 TYR A 27 -7.812 19.424 -22.070 1.00 0.00 C ATOM 452 CE2 TYR A 27 -7.304 19.592 -19.702 1.00 0.00 C ATOM 453 CZ TYR A 27 -7.668 18.820 -20.814 1.00 0.00 C ATOM 454 OH TYR A 27 -7.881 17.464 -20.672 1.00 0.00 O ATOM 0 H TYR A 27 -9.588 22.610 -19.949 1.00 0.00 H new ATOM 0 HA TYR A 27 -8.212 24.873 -21.304 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -6.490 23.259 -22.198 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -6.347 23.417 -20.458 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.707 21.269 -23.180 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -6.807 21.564 -18.989 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -8.090 18.829 -22.927 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -7.191 19.126 -18.734 1.00 0.00 H new ATOM 0 HH TYR A 27 -7.738 17.207 -19.737 1.00 0.00 H new ATOM 464 N ALA A 28 -8.745 23.437 -23.578 1.00 0.00 N ATOM 465 CA ALA A 28 -9.566 23.018 -24.749 1.00 0.00 C ATOM 466 C ALA A 28 -8.666 22.446 -25.847 1.00 0.00 C ATOM 467 O ALA A 28 -7.882 23.202 -26.395 1.00 0.00 O ATOM 468 CB ALA A 28 -10.255 24.295 -25.229 1.00 0.00 C ATOM 469 OXT ALA A 28 -8.776 21.262 -26.120 1.00 0.00 O ATOM 0 H ALA A 28 -7.812 23.782 -23.804 1.00 0.00 H new ATOM 0 HA ALA A 28 -10.286 22.241 -24.492 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.880 24.068 -26.092 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -10.875 24.697 -24.428 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.502 25.031 -25.510 1.00 0.00 H new TER 475 ALA A 28 ATOM 476 N ARG B 1 -25.054 -10.961 3.404 1.00 0.00 N ATOM 477 CA ARG B 1 -23.565 -11.024 3.369 1.00 0.00 C ATOM 478 C ARG B 1 -23.058 -10.775 1.946 1.00 0.00 C ATOM 479 O ARG B 1 -22.653 -11.687 1.253 1.00 0.00 O ATOM 480 CB ARG B 1 -23.218 -12.442 3.823 1.00 0.00 C ATOM 481 CG ARG B 1 -23.605 -12.620 5.293 1.00 0.00 C ATOM 482 CD ARG B 1 -23.388 -14.077 5.705 1.00 0.00 C ATOM 483 NE ARG B 1 -22.958 -14.013 7.129 1.00 0.00 N ATOM 484 CZ ARG B 1 -22.603 -15.102 7.754 1.00 0.00 C ATOM 485 NH1 ARG B 1 -23.369 -16.158 7.713 1.00 0.00 N ATOM 486 NH2 ARG B 1 -21.480 -15.136 8.419 1.00 0.00 N ATOM 0 H1 ARG B 1 -25.358 -10.397 4.223 1.00 0.00 H new ATOM 0 H2 ARG B 1 -25.403 -10.519 2.530 1.00 0.00 H new ATOM 0 H3 ARG B 1 -25.440 -11.923 3.483 1.00 0.00 H new ATOM 0 HA ARG B 1 -23.104 -10.269 4.006 1.00 0.00 H new ATOM 0 HB2 ARG B 1 -23.745 -13.171 3.207 1.00 0.00 H new ATOM 0 HB3 ARG B 1 -22.152 -12.626 3.692 1.00 0.00 H new ATOM 0 HG2 ARG B 1 -23.005 -11.960 5.920 1.00 0.00 H new ATOM 0 HG3 ARG B 1 -24.648 -12.340 5.442 1.00 0.00 H new ATOM 0 HD2 ARG B 1 -24.303 -14.659 5.594 1.00 0.00 H new ATOM 0 HD3 ARG B 1 -22.630 -14.554 5.084 1.00 0.00 H new ATOM 0 HE ARG B 1 -22.941 -13.117 7.616 1.00 0.00 H new ATOM 0 HH11 ARG B 1 -24.246 -16.132 7.192 1.00 0.00 H new ATOM 0 HH12 ARG B 1 -23.091 -17.009 8.202 1.00 0.00 H new ATOM 0 HH21 ARG B 1 -20.880 -14.311 8.450 1.00 0.00 H new ATOM 0 HH22 ARG B 1 -21.202 -15.987 8.908 1.00 0.00 H new ATOM 502 N MET B 2 -23.075 -9.547 1.505 1.00 0.00 N ATOM 503 CA MET B 2 -22.594 -9.242 0.127 1.00 0.00 C ATOM 504 C MET B 2 -21.066 -9.150 0.111 1.00 0.00 C ATOM 505 O MET B 2 -20.492 -8.124 0.417 1.00 0.00 O ATOM 506 CB MET B 2 -23.215 -7.888 -0.218 1.00 0.00 C ATOM 507 CG MET B 2 -23.527 -7.835 -1.715 1.00 0.00 C ATOM 508 SD MET B 2 -23.207 -6.166 -2.339 1.00 0.00 S ATOM 509 CE MET B 2 -24.344 -6.228 -3.746 1.00 0.00 C ATOM 0 H MET B 2 -23.401 -8.741 2.039 1.00 0.00 H new ATOM 0 HA MET B 2 -22.875 -10.014 -0.590 1.00 0.00 H new ATOM 0 HB2 MET B 2 -24.127 -7.737 0.360 1.00 0.00 H new ATOM 0 HB3 MET B 2 -22.530 -7.083 0.050 1.00 0.00 H new ATOM 0 HG2 MET B 2 -22.914 -8.559 -2.251 1.00 0.00 H new ATOM 0 HG3 MET B 2 -24.568 -8.107 -1.890 1.00 0.00 H new ATOM 0 HE1 MET B 2 -24.308 -5.281 -4.285 1.00 0.00 H new ATOM 0 HE2 MET B 2 -24.052 -7.038 -4.415 1.00 0.00 H new ATOM 0 HE3 MET B 2 -25.358 -6.403 -3.387 1.00 0.00 H new ATOM 519 N LYS B 3 -20.401 -10.216 -0.243 1.00 0.00 N ATOM 520 CA LYS B 3 -18.910 -10.186 -0.277 1.00 0.00 C ATOM 521 C LYS B 3 -18.377 -11.308 -1.172 1.00 0.00 C ATOM 522 O LYS B 3 -17.688 -12.201 -0.720 1.00 0.00 O ATOM 523 CB LYS B 3 -18.478 -10.406 1.173 1.00 0.00 C ATOM 524 CG LYS B 3 -17.450 -9.344 1.566 1.00 0.00 C ATOM 525 CD LYS B 3 -16.189 -10.025 2.100 1.00 0.00 C ATOM 526 CE LYS B 3 -15.761 -9.355 3.407 1.00 0.00 C ATOM 527 NZ LYS B 3 -14.275 -9.289 3.337 1.00 0.00 N ATOM 0 H LYS B 3 -20.824 -11.105 -0.510 1.00 0.00 H new ATOM 0 HA LYS B 3 -18.525 -9.250 -0.681 1.00 0.00 H new ATOM 0 HB2 LYS B 3 -19.343 -10.352 1.834 1.00 0.00 H new ATOM 0 HB3 LYS B 3 -18.050 -11.402 1.289 1.00 0.00 H new ATOM 0 HG2 LYS B 3 -17.204 -8.725 0.703 1.00 0.00 H new ATOM 0 HG3 LYS B 3 -17.867 -8.682 2.325 1.00 0.00 H new ATOM 0 HD2 LYS B 3 -16.379 -11.085 2.268 1.00 0.00 H new ATOM 0 HD3 LYS B 3 -15.387 -9.957 1.365 1.00 0.00 H new ATOM 0 HE2 LYS B 3 -16.196 -8.360 3.502 1.00 0.00 H new ATOM 0 HE3 LYS B 3 -16.090 -9.931 4.272 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 -13.906 -8.841 4.200 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 -13.888 -10.251 3.254 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 -13.991 -8.729 2.508 1.00 0.00 H new ATOM 541 N LYS B 4 -18.688 -11.269 -2.440 1.00 0.00 N ATOM 542 CA LYS B 4 -18.196 -12.333 -3.361 1.00 0.00 C ATOM 543 C LYS B 4 -17.670 -11.711 -4.658 1.00 0.00 C ATOM 544 O LYS B 4 -18.385 -11.028 -5.364 1.00 0.00 O ATOM 545 CB LYS B 4 -19.418 -13.209 -3.644 1.00 0.00 C ATOM 546 CG LYS B 4 -18.967 -14.528 -4.276 1.00 0.00 C ATOM 547 CD LYS B 4 -20.153 -15.491 -4.354 1.00 0.00 C ATOM 548 CE LYS B 4 -19.643 -16.908 -4.626 1.00 0.00 C ATOM 549 NZ LYS B 4 -19.494 -16.984 -6.106 1.00 0.00 N ATOM 0 H LYS B 4 -19.261 -10.547 -2.877 1.00 0.00 H new ATOM 0 HA LYS B 4 -17.375 -12.905 -2.928 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -19.961 -13.404 -2.719 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -20.104 -12.689 -4.313 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -18.566 -14.347 -5.273 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -18.165 -14.970 -3.686 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -20.715 -15.468 -3.421 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -20.836 -15.181 -5.145 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -18.693 -17.089 -4.123 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -20.345 -17.658 -4.261 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -19.147 -17.928 -6.372 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -20.416 -16.814 -6.557 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -18.815 -16.263 -6.424 1.00 0.00 H new ATOM 563 N LYS B 5 -16.425 -11.941 -4.975 1.00 0.00 N ATOM 564 CA LYS B 5 -15.855 -11.361 -6.225 1.00 0.00 C ATOM 565 C LYS B 5 -14.874 -12.344 -6.868 1.00 0.00 C ATOM 566 O LYS B 5 -13.927 -12.788 -6.248 1.00 0.00 O ATOM 567 CB LYS B 5 -15.127 -10.094 -5.777 1.00 0.00 C ATOM 568 CG LYS B 5 -15.276 -9.013 -6.849 1.00 0.00 C ATOM 569 CD LYS B 5 -14.152 -7.986 -6.699 1.00 0.00 C ATOM 570 CE LYS B 5 -14.613 -6.639 -7.263 1.00 0.00 C ATOM 571 NZ LYS B 5 -14.069 -5.622 -6.321 1.00 0.00 N ATOM 0 H LYS B 5 -15.778 -12.505 -4.423 1.00 0.00 H new ATOM 0 HA LYS B 5 -16.623 -11.150 -6.969 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -15.537 -9.742 -4.831 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -14.072 -10.309 -5.607 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -15.242 -9.463 -7.841 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -16.245 -8.523 -6.754 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -13.880 -7.879 -5.649 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -13.261 -8.327 -7.226 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -14.235 -6.484 -8.273 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -15.700 -6.585 -7.318 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -14.343 -4.671 -6.641 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -14.452 -5.791 -5.369 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -13.032 -5.693 -6.295 1.00 0.00 H new ATOM 585 N ASP B 6 -15.091 -12.689 -8.109 1.00 0.00 N ATOM 586 CA ASP B 6 -14.170 -13.643 -8.789 1.00 0.00 C ATOM 587 C ASP B 6 -13.019 -12.885 -9.458 1.00 0.00 C ATOM 588 O ASP B 6 -13.066 -11.681 -9.616 1.00 0.00 O ATOM 589 CB ASP B 6 -15.031 -14.346 -9.840 1.00 0.00 C ATOM 590 CG ASP B 6 -16.031 -15.270 -9.144 1.00 0.00 C ATOM 591 OD1 ASP B 6 -15.606 -16.044 -8.302 1.00 0.00 O ATOM 592 OD2 ASP B 6 -17.206 -15.190 -9.465 1.00 0.00 O ATOM 0 H ASP B 6 -15.866 -12.351 -8.680 1.00 0.00 H new ATOM 0 HA ASP B 6 -13.721 -14.349 -8.091 1.00 0.00 H new ATOM 0 HB2 ASP B 6 -15.560 -13.609 -10.444 1.00 0.00 H new ATOM 0 HB3 ASP B 6 -14.400 -14.920 -10.518 1.00 0.00 H new ATOM 597 N GLU B 7 -11.988 -13.581 -9.851 1.00 0.00 N ATOM 598 CA GLU B 7 -10.835 -12.900 -10.508 1.00 0.00 C ATOM 599 C GLU B 7 -10.809 -13.232 -12.002 1.00 0.00 C ATOM 600 O GLU B 7 -11.601 -14.016 -12.488 1.00 0.00 O ATOM 601 CB GLU B 7 -9.595 -13.459 -9.811 1.00 0.00 C ATOM 602 CG GLU B 7 -9.136 -12.486 -8.724 1.00 0.00 C ATOM 603 CD GLU B 7 -8.460 -13.264 -7.593 1.00 0.00 C ATOM 604 OE1 GLU B 7 -7.593 -14.069 -7.891 1.00 0.00 O ATOM 605 OE2 GLU B 7 -8.822 -13.042 -6.449 1.00 0.00 O ATOM 0 H GLU B 7 -11.893 -14.591 -9.746 1.00 0.00 H new ATOM 0 HA GLU B 7 -10.893 -11.815 -10.425 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -9.819 -14.431 -9.372 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -8.796 -13.613 -10.536 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -8.442 -11.757 -9.143 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -9.989 -11.928 -8.337 1.00 0.00 H new ATOM 612 N GLY B 8 -9.904 -12.644 -12.735 1.00 0.00 N ATOM 613 CA GLY B 8 -9.828 -12.926 -14.196 1.00 0.00 C ATOM 614 C GLY B 8 -8.989 -14.183 -14.431 1.00 0.00 C ATOM 615 O GLY B 8 -9.507 -15.239 -14.736 1.00 0.00 O ATOM 0 H GLY B 8 -9.213 -11.980 -12.385 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -10.830 -13.063 -14.603 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -9.385 -12.078 -14.718 1.00 0.00 H new ATOM 619 N SER B 9 -7.695 -14.079 -14.294 1.00 0.00 N ATOM 620 CA SER B 9 -6.823 -15.268 -14.508 1.00 0.00 C ATOM 621 C SER B 9 -5.666 -15.259 -13.506 1.00 0.00 C ATOM 622 O SER B 9 -5.706 -15.929 -12.492 1.00 0.00 O ATOM 623 CB SER B 9 -6.299 -15.125 -15.936 1.00 0.00 C ATOM 624 OG SER B 9 -7.342 -15.435 -16.851 1.00 0.00 O ATOM 0 H SER B 9 -7.204 -13.221 -14.043 1.00 0.00 H new ATOM 0 HA SER B 9 -7.360 -16.206 -14.365 1.00 0.00 H new ATOM 0 HB2 SER B 9 -5.941 -14.109 -16.105 1.00 0.00 H new ATOM 0 HB3 SER B 9 -5.451 -15.792 -16.093 1.00 0.00 H new ATOM 0 HG SER B 9 -7.001 -15.376 -17.768 1.00 0.00 H new ATOM 630 N TYR B 10 -4.637 -14.505 -13.780 1.00 0.00 N ATOM 631 CA TYR B 10 -3.483 -14.452 -12.838 1.00 0.00 C ATOM 632 C TYR B 10 -3.486 -13.126 -12.074 1.00 0.00 C ATOM 633 O TYR B 10 -3.608 -13.096 -10.866 1.00 0.00 O ATOM 634 CB TYR B 10 -2.241 -14.562 -13.722 1.00 0.00 C ATOM 635 CG TYR B 10 -1.275 -15.546 -13.105 1.00 0.00 C ATOM 636 CD1 TYR B 10 -1.363 -16.907 -13.425 1.00 0.00 C ATOM 637 CD2 TYR B 10 -0.292 -15.097 -12.212 1.00 0.00 C ATOM 638 CE1 TYR B 10 -0.468 -17.820 -12.853 1.00 0.00 C ATOM 639 CE2 TYR B 10 0.603 -16.012 -11.639 1.00 0.00 C ATOM 640 CZ TYR B 10 0.515 -17.373 -11.959 1.00 0.00 C ATOM 641 OH TYR B 10 1.397 -18.272 -11.396 1.00 0.00 O ATOM 0 H TYR B 10 -4.545 -13.924 -14.614 1.00 0.00 H new ATOM 0 HA TYR B 10 -3.521 -15.247 -12.093 1.00 0.00 H new ATOM 0 HB2 TYR B 10 -2.521 -14.889 -14.723 1.00 0.00 H new ATOM 0 HB3 TYR B 10 -1.767 -13.586 -13.826 1.00 0.00 H new ATOM 0 HD1 TYR B 10 -2.121 -17.252 -14.113 1.00 0.00 H new ATOM 0 HD2 TYR B 10 -0.224 -14.048 -11.966 1.00 0.00 H new ATOM 0 HE1 TYR B 10 -0.535 -18.869 -13.101 1.00 0.00 H new ATOM 0 HE2 TYR B 10 1.360 -15.667 -10.951 1.00 0.00 H new ATOM 0 HH TYR B 10 2.014 -17.796 -10.801 1.00 0.00 H new ATOM 651 N ASP B 11 -3.357 -12.028 -12.768 1.00 0.00 N ATOM 652 CA ASP B 11 -3.358 -10.709 -12.073 1.00 0.00 C ATOM 653 C ASP B 11 -3.497 -9.572 -13.085 1.00 0.00 C ATOM 654 O ASP B 11 -2.933 -8.509 -12.924 1.00 0.00 O ATOM 655 CB ASP B 11 -2.009 -10.632 -11.359 1.00 0.00 C ATOM 656 CG ASP B 11 -2.228 -10.700 -9.846 1.00 0.00 C ATOM 657 OD1 ASP B 11 -2.998 -9.900 -9.342 1.00 0.00 O ATOM 658 OD2 ASP B 11 -1.621 -11.552 -9.218 1.00 0.00 O ATOM 0 H ASP B 11 -3.251 -11.987 -13.782 1.00 0.00 H new ATOM 0 HA ASP B 11 -4.192 -10.614 -11.377 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -1.367 -11.452 -11.682 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -1.499 -9.706 -11.622 1.00 0.00 H new ATOM 663 N LEU B 12 -4.258 -9.788 -14.120 1.00 0.00 N ATOM 664 CA LEU B 12 -4.453 -8.726 -15.148 1.00 0.00 C ATOM 665 C LEU B 12 -5.460 -7.689 -14.651 1.00 0.00 C ATOM 666 O LEU B 12 -5.840 -6.785 -15.368 1.00 0.00 O ATOM 667 CB LEU B 12 -4.992 -9.457 -16.377 1.00 0.00 C ATOM 668 CG LEU B 12 -6.242 -10.249 -15.994 1.00 0.00 C ATOM 669 CD1 LEU B 12 -7.451 -9.686 -16.740 1.00 0.00 C ATOM 670 CD2 LEU B 12 -6.047 -11.718 -16.374 1.00 0.00 C ATOM 0 H LEU B 12 -4.757 -10.659 -14.300 1.00 0.00 H new ATOM 0 HA LEU B 12 -3.530 -8.189 -15.368 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -5.230 -8.741 -17.164 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -4.232 -10.128 -16.776 1.00 0.00 H new ATOM 0 HG LEU B 12 -6.410 -10.169 -14.920 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -8.342 -10.251 -16.467 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -7.589 -8.639 -16.472 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -7.285 -9.767 -17.814 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -6.937 -12.285 -16.102 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -5.881 -11.797 -17.448 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -5.184 -12.120 -15.843 1.00 0.00 H new ATOM 682 N GLY B 13 -5.889 -7.805 -13.423 1.00 0.00 N ATOM 683 CA GLY B 13 -6.860 -6.816 -12.880 1.00 0.00 C ATOM 684 C GLY B 13 -6.157 -5.468 -12.704 1.00 0.00 C ATOM 685 O GLY B 13 -6.775 -4.471 -12.388 1.00 0.00 O ATOM 0 H GLY B 13 -5.609 -8.541 -12.775 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -7.709 -6.712 -13.556 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -7.254 -7.162 -11.925 1.00 0.00 H new ATOM 689 N LYS B 14 -4.868 -5.431 -12.909 1.00 0.00 N ATOM 690 CA LYS B 14 -4.122 -4.151 -12.759 1.00 0.00 C ATOM 691 C LYS B 14 -4.355 -3.261 -13.985 1.00 0.00 C ATOM 692 O LYS B 14 -4.477 -3.741 -15.094 1.00 0.00 O ATOM 693 CB LYS B 14 -2.653 -4.563 -12.662 1.00 0.00 C ATOM 694 CG LYS B 14 -2.465 -5.500 -11.467 1.00 0.00 C ATOM 695 CD LYS B 14 -0.986 -5.533 -11.072 1.00 0.00 C ATOM 696 CE LYS B 14 -0.792 -6.495 -9.897 1.00 0.00 C ATOM 697 NZ LYS B 14 -1.134 -5.698 -8.687 1.00 0.00 N ATOM 0 H LYS B 14 -4.299 -6.235 -13.175 1.00 0.00 H new ATOM 0 HA LYS B 14 -4.443 -3.580 -11.888 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -2.342 -5.061 -13.581 1.00 0.00 H new ATOM 0 HB3 LYS B 14 -2.023 -3.681 -12.549 1.00 0.00 H new ATOM 0 HG2 LYS B 14 -3.070 -5.160 -10.626 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -2.807 -6.503 -11.721 1.00 0.00 H new ATOM 0 HD2 LYS B 14 -0.379 -5.851 -11.920 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -0.650 -4.533 -10.797 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -1.438 -7.368 -9.990 1.00 0.00 H new ATOM 0 HE3 LYS B 14 0.234 -6.861 -9.852 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -0.266 -5.483 -8.156 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -1.593 -4.810 -8.974 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 -1.782 -6.243 -8.084 1.00 0.00 H new ATOM 711 N LYS B 15 -4.422 -1.971 -13.796 1.00 0.00 N ATOM 712 CA LYS B 15 -4.650 -1.061 -14.958 1.00 0.00 C ATOM 713 C LYS B 15 -4.049 0.321 -14.680 1.00 0.00 C ATOM 714 O LYS B 15 -3.914 0.723 -13.542 1.00 0.00 O ATOM 715 CB LYS B 15 -6.170 -0.968 -15.099 1.00 0.00 C ATOM 716 CG LYS B 15 -6.643 -1.938 -16.184 1.00 0.00 C ATOM 717 CD LYS B 15 -8.070 -1.580 -16.603 1.00 0.00 C ATOM 718 CE LYS B 15 -9.019 -1.798 -15.423 1.00 0.00 C ATOM 719 NZ LYS B 15 -9.936 -0.625 -15.444 1.00 0.00 N ATOM 0 H LYS B 15 -4.329 -1.508 -12.892 1.00 0.00 H new ATOM 0 HA LYS B 15 -4.179 -1.432 -15.868 1.00 0.00 H new ATOM 0 HB2 LYS B 15 -6.649 -1.206 -14.149 1.00 0.00 H new ATOM 0 HB3 LYS B 15 -6.460 0.051 -15.356 1.00 0.00 H new ATOM 0 HG2 LYS B 15 -5.977 -1.889 -17.045 1.00 0.00 H new ATOM 0 HG3 LYS B 15 -6.608 -2.962 -15.812 1.00 0.00 H new ATOM 0 HD2 LYS B 15 -8.114 -0.542 -16.932 1.00 0.00 H new ATOM 0 HD3 LYS B 15 -8.377 -2.195 -17.449 1.00 0.00 H new ATOM 0 HE2 LYS B 15 -9.571 -2.732 -15.528 1.00 0.00 H new ATOM 0 HE3 LYS B 15 -8.472 -1.855 -14.482 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 -10.618 -0.703 -14.662 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 -9.384 0.249 -15.336 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 -10.448 -0.601 -16.349 1.00 0.00 H new ATOM 733 N PRO B 16 -3.705 1.000 -15.742 1.00 0.00 N ATOM 734 CA PRO B 16 -3.106 2.353 -15.624 1.00 0.00 C ATOM 735 C PRO B 16 -4.168 3.385 -15.229 1.00 0.00 C ATOM 736 O PRO B 16 -5.351 3.177 -15.412 1.00 0.00 O ATOM 737 CB PRO B 16 -2.578 2.632 -17.028 1.00 0.00 C ATOM 738 CG PRO B 16 -3.407 1.778 -17.934 1.00 0.00 C ATOM 739 CD PRO B 16 -3.840 0.573 -17.139 1.00 0.00 C ATOM 0 HA PRO B 16 -2.332 2.410 -14.859 1.00 0.00 H new ATOM 0 HB2 PRO B 16 -2.675 3.687 -17.283 1.00 0.00 H new ATOM 0 HB3 PRO B 16 -1.520 2.381 -17.108 1.00 0.00 H new ATOM 0 HG2 PRO B 16 -4.273 2.331 -18.297 1.00 0.00 H new ATOM 0 HG3 PRO B 16 -2.832 1.475 -18.809 1.00 0.00 H new ATOM 0 HD2 PRO B 16 -4.866 0.289 -17.372 1.00 0.00 H new ATOM 0 HD3 PRO B 16 -3.213 -0.293 -17.354 1.00 0.00 H new ATOM 747 N ILE B 17 -3.750 4.498 -14.690 1.00 0.00 N ATOM 748 CA ILE B 17 -4.719 5.550 -14.281 1.00 0.00 C ATOM 749 C ILE B 17 -3.998 6.888 -14.121 1.00 0.00 C ATOM 750 O ILE B 17 -3.844 7.387 -13.028 1.00 0.00 O ATOM 751 CB ILE B 17 -5.275 5.080 -12.937 1.00 0.00 C ATOM 752 CG1 ILE B 17 -4.136 4.546 -12.064 1.00 0.00 C ATOM 753 CG2 ILE B 17 -6.306 3.973 -13.164 1.00 0.00 C ATOM 754 CD1 ILE B 17 -4.622 4.397 -10.621 1.00 0.00 C ATOM 0 H ILE B 17 -2.771 4.724 -14.515 1.00 0.00 H new ATOM 0 HA ILE B 17 -5.509 5.695 -15.018 1.00 0.00 H new ATOM 0 HB ILE B 17 -5.752 5.921 -12.434 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -3.793 3.584 -12.444 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -3.285 5.226 -12.103 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -6.700 3.640 -12.204 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -7.121 4.355 -13.778 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -5.832 3.133 -13.672 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -3.810 4.017 -10.001 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -4.943 5.368 -10.243 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -5.460 3.700 -10.589 1.00 0.00 H new ATOM 766 N TYR B 18 -3.544 7.463 -15.203 1.00 0.00 N ATOM 767 CA TYR B 18 -2.814 8.764 -15.114 1.00 0.00 C ATOM 768 C TYR B 18 -3.787 9.940 -14.977 1.00 0.00 C ATOM 769 O TYR B 18 -4.924 9.785 -14.578 1.00 0.00 O ATOM 770 CB TYR B 18 -2.046 8.869 -16.431 1.00 0.00 C ATOM 771 CG TYR B 18 -0.562 8.812 -16.159 1.00 0.00 C ATOM 772 CD1 TYR B 18 -0.009 9.577 -15.122 1.00 0.00 C ATOM 773 CD2 TYR B 18 0.264 7.997 -16.944 1.00 0.00 C ATOM 774 CE1 TYR B 18 1.367 9.524 -14.869 1.00 0.00 C ATOM 775 CE2 TYR B 18 1.641 7.946 -16.693 1.00 0.00 C ATOM 776 CZ TYR B 18 2.193 8.709 -15.656 1.00 0.00 C ATOM 777 OH TYR B 18 3.549 8.657 -15.409 1.00 0.00 O ATOM 0 H TYR B 18 -3.647 7.088 -16.146 1.00 0.00 H new ATOM 0 HA TYR B 18 -2.162 8.800 -14.241 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -2.335 8.057 -17.098 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -2.298 9.801 -16.937 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -0.645 10.207 -14.518 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -0.161 7.408 -17.743 1.00 0.00 H new ATOM 0 HE1 TYR B 18 1.792 10.111 -14.068 1.00 0.00 H new ATOM 0 HE2 TYR B 18 2.277 7.318 -17.299 1.00 0.00 H new ATOM 0 HH TYR B 18 3.974 8.044 -16.044 1.00 0.00 H new ATOM 787 N LYS B 19 -3.332 11.119 -15.309 1.00 0.00 N ATOM 788 CA LYS B 19 -4.200 12.328 -15.210 1.00 0.00 C ATOM 789 C LYS B 19 -4.619 12.572 -13.758 1.00 0.00 C ATOM 790 O LYS B 19 -5.646 12.101 -13.310 1.00 0.00 O ATOM 791 CB LYS B 19 -5.420 12.019 -16.079 1.00 0.00 C ATOM 792 CG LYS B 19 -5.716 13.215 -16.986 1.00 0.00 C ATOM 793 CD LYS B 19 -7.150 13.118 -17.511 1.00 0.00 C ATOM 794 CE LYS B 19 -7.175 13.481 -18.997 1.00 0.00 C ATOM 795 NZ LYS B 19 -6.632 12.283 -19.694 1.00 0.00 N ATOM 0 H LYS B 19 -2.387 11.297 -15.648 1.00 0.00 H new ATOM 0 HA LYS B 19 -3.683 13.229 -15.541 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -5.235 11.129 -16.681 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -6.283 11.804 -15.449 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -5.582 14.145 -16.434 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -5.013 13.235 -17.819 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -7.534 12.108 -17.366 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -7.800 13.790 -16.951 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -8.188 13.707 -19.331 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -6.568 14.364 -19.198 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -7.016 12.239 -20.659 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -5.595 12.347 -19.737 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -6.905 11.425 -19.173 1.00 0.00 H new ATOM 809 N LYS B 20 -3.834 13.313 -13.023 1.00 0.00 N ATOM 810 CA LYS B 20 -4.186 13.598 -11.601 1.00 0.00 C ATOM 811 C LYS B 20 -3.098 14.457 -10.951 1.00 0.00 C ATOM 812 O LYS B 20 -2.142 13.952 -10.396 1.00 0.00 O ATOM 813 CB LYS B 20 -4.264 12.230 -10.926 1.00 0.00 C ATOM 814 CG LYS B 20 -4.468 12.416 -9.422 1.00 0.00 C ATOM 815 CD LYS B 20 -3.940 11.189 -8.676 1.00 0.00 C ATOM 816 CE LYS B 20 -4.360 11.266 -7.207 1.00 0.00 C ATOM 817 NZ LYS B 20 -3.517 12.345 -6.623 1.00 0.00 N ATOM 0 H LYS B 20 -2.963 13.734 -13.346 1.00 0.00 H new ATOM 0 HA LYS B 20 -5.123 14.148 -11.511 1.00 0.00 H new ATOM 0 HB2 LYS B 20 -5.086 11.651 -11.347 1.00 0.00 H new ATOM 0 HB3 LYS B 20 -3.349 11.667 -11.113 1.00 0.00 H new ATOM 0 HG2 LYS B 20 -3.948 13.312 -9.082 1.00 0.00 H new ATOM 0 HG3 LYS B 20 -5.526 12.559 -9.203 1.00 0.00 H new ATOM 0 HD2 LYS B 20 -4.331 10.278 -9.130 1.00 0.00 H new ATOM 0 HD3 LYS B 20 -2.854 11.143 -8.753 1.00 0.00 H new ATOM 0 HE2 LYS B 20 -5.421 11.498 -7.111 1.00 0.00 H new ATOM 0 HE3 LYS B 20 -4.194 10.316 -6.698 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 -3.347 12.146 -5.616 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 -2.608 12.386 -7.126 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 -4.007 13.258 -6.718 1.00 0.00 H new ATOM 831 N ALA B 21 -3.237 15.753 -11.015 1.00 0.00 N ATOM 832 CA ALA B 21 -2.212 16.647 -10.402 1.00 0.00 C ATOM 833 C ALA B 21 -2.745 18.080 -10.317 1.00 0.00 C ATOM 834 O ALA B 21 -2.333 18.940 -11.069 1.00 0.00 O ATOM 835 CB ALA B 21 -1.010 16.575 -11.343 1.00 0.00 C ATOM 0 H ALA B 21 -4.016 16.232 -11.466 1.00 0.00 H new ATOM 0 HA ALA B 21 -1.952 16.345 -9.387 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -0.210 17.208 -10.960 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -0.659 15.545 -11.406 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -1.303 16.920 -12.335 1.00 0.00 H new ATOM 841 N PRO B 22 -3.650 18.284 -9.399 1.00 0.00 N ATOM 842 CA PRO B 22 -4.252 19.625 -9.207 1.00 0.00 C ATOM 843 C PRO B 22 -3.249 20.574 -8.543 1.00 0.00 C ATOM 844 O PRO B 22 -3.420 20.977 -7.409 1.00 0.00 O ATOM 845 CB PRO B 22 -5.437 19.357 -8.284 1.00 0.00 C ATOM 846 CG PRO B 22 -5.083 18.101 -7.552 1.00 0.00 C ATOM 847 CD PRO B 22 -4.191 17.294 -8.462 1.00 0.00 C ATOM 0 HA PRO B 22 -4.545 20.100 -10.143 1.00 0.00 H new ATOM 0 HB2 PRO B 22 -5.594 20.185 -7.593 1.00 0.00 H new ATOM 0 HB3 PRO B 22 -6.360 19.236 -8.852 1.00 0.00 H new ATOM 0 HG2 PRO B 22 -4.572 18.331 -6.617 1.00 0.00 H new ATOM 0 HG3 PRO B 22 -5.981 17.539 -7.295 1.00 0.00 H new ATOM 0 HD2 PRO B 22 -3.397 16.797 -7.904 1.00 0.00 H new ATOM 0 HD3 PRO B 22 -4.750 16.516 -8.982 1.00 0.00 H new ATOM 855 N THR B 23 -2.206 20.934 -9.239 1.00 0.00 N ATOM 856 CA THR B 23 -1.195 21.856 -8.646 1.00 0.00 C ATOM 857 C THR B 23 -0.352 22.497 -9.749 1.00 0.00 C ATOM 858 O THR B 23 0.031 21.854 -10.707 1.00 0.00 O ATOM 859 CB THR B 23 -0.327 20.969 -7.752 1.00 0.00 C ATOM 860 OG1 THR B 23 -0.191 19.687 -8.347 1.00 0.00 O ATOM 861 CG2 THR B 23 -0.983 20.829 -6.378 1.00 0.00 C ATOM 0 H THR B 23 -2.010 20.630 -10.193 1.00 0.00 H new ATOM 0 HA THR B 23 -1.656 22.670 -8.087 1.00 0.00 H new ATOM 0 HB THR B 23 0.658 21.422 -7.637 1.00 0.00 H new ATOM 0 HG1 THR B 23 0.366 19.119 -7.776 1.00 0.00 H new ATOM 0 HG21 THR B 23 -0.364 20.197 -5.742 1.00 0.00 H new ATOM 0 HG22 THR B 23 -1.085 21.814 -5.922 1.00 0.00 H new ATOM 0 HG23 THR B 23 -1.968 20.377 -6.490 1.00 0.00 H new ATOM 869 N ASN B 24 -0.058 23.762 -9.623 1.00 0.00 N ATOM 870 CA ASN B 24 0.762 24.445 -10.665 1.00 0.00 C ATOM 871 C ASN B 24 2.235 24.463 -10.249 1.00 0.00 C ATOM 872 O ASN B 24 3.119 24.239 -11.052 1.00 0.00 O ATOM 873 CB ASN B 24 0.204 25.866 -10.737 1.00 0.00 C ATOM 874 CG ASN B 24 0.706 26.549 -12.010 1.00 0.00 C ATOM 875 OD1 ASN B 24 1.716 26.161 -12.564 1.00 0.00 O ATOM 876 ND2 ASN B 24 0.038 27.556 -12.501 1.00 0.00 N ATOM 0 H ASN B 24 -0.350 24.353 -8.844 1.00 0.00 H new ATOM 0 HA ASN B 24 0.712 23.940 -11.630 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -0.886 25.841 -10.731 1.00 0.00 H new ATOM 0 HB3 ASN B 24 0.514 26.435 -9.860 1.00 0.00 H new ATOM 0 HD21 ASN B 24 0.363 28.018 -13.350 1.00 0.00 H new ATOM 0 HD22 ASN B 24 -0.809 27.881 -12.036 1.00 0.00 H new ATOM 883 N GLU B 25 2.505 24.730 -9.000 1.00 0.00 N ATOM 884 CA GLU B 25 3.921 24.763 -8.534 1.00 0.00 C ATOM 885 C GLU B 25 4.197 23.582 -7.601 1.00 0.00 C ATOM 886 O GLU B 25 3.291 22.977 -7.062 1.00 0.00 O ATOM 887 CB GLU B 25 4.056 26.085 -7.779 1.00 0.00 C ATOM 888 CG GLU B 25 4.745 27.118 -8.674 1.00 0.00 C ATOM 889 CD GLU B 25 5.810 27.861 -7.867 1.00 0.00 C ATOM 890 OE1 GLU B 25 6.668 27.202 -7.304 1.00 0.00 O ATOM 891 OE2 GLU B 25 5.751 29.080 -7.824 1.00 0.00 O ATOM 0 H GLU B 25 1.807 24.927 -8.283 1.00 0.00 H new ATOM 0 HA GLU B 25 4.630 24.689 -9.358 1.00 0.00 H new ATOM 0 HB2 GLU B 25 3.072 26.447 -7.479 1.00 0.00 H new ATOM 0 HB3 GLU B 25 4.633 25.937 -6.866 1.00 0.00 H new ATOM 0 HG2 GLU B 25 5.202 26.625 -9.532 1.00 0.00 H new ATOM 0 HG3 GLU B 25 4.012 27.823 -9.065 1.00 0.00 H new ATOM 898 N PHE B 26 5.443 23.249 -7.402 1.00 0.00 N ATOM 899 CA PHE B 26 5.776 22.107 -6.502 1.00 0.00 C ATOM 900 C PHE B 26 5.150 22.325 -5.122 1.00 0.00 C ATOM 901 O PHE B 26 4.433 23.281 -4.898 1.00 0.00 O ATOM 902 CB PHE B 26 7.302 22.111 -6.404 1.00 0.00 C ATOM 903 CG PHE B 26 7.893 21.672 -7.722 1.00 0.00 C ATOM 904 CD1 PHE B 26 7.945 20.311 -8.048 1.00 0.00 C ATOM 905 CD2 PHE B 26 8.389 22.626 -8.618 1.00 0.00 C ATOM 906 CE1 PHE B 26 8.495 19.904 -9.271 1.00 0.00 C ATOM 907 CE2 PHE B 26 8.940 22.221 -9.841 1.00 0.00 C ATOM 908 CZ PHE B 26 8.992 20.859 -10.168 1.00 0.00 C ATOM 0 H PHE B 26 6.245 23.718 -7.823 1.00 0.00 H new ATOM 0 HA PHE B 26 5.395 21.158 -6.879 1.00 0.00 H new ATOM 0 HB2 PHE B 26 7.658 23.109 -6.148 1.00 0.00 H new ATOM 0 HB3 PHE B 26 7.627 21.443 -5.607 1.00 0.00 H new ATOM 0 HD1 PHE B 26 7.561 19.575 -7.357 1.00 0.00 H new ATOM 0 HD2 PHE B 26 8.347 23.675 -8.366 1.00 0.00 H new ATOM 0 HE1 PHE B 26 8.536 18.854 -9.522 1.00 0.00 H new ATOM 0 HE2 PHE B 26 9.324 22.958 -10.531 1.00 0.00 H new ATOM 0 HZ PHE B 26 9.415 20.546 -11.111 1.00 0.00 H new ATOM 918 N TYR B 27 5.415 21.446 -4.194 1.00 0.00 N ATOM 919 CA TYR B 27 4.836 21.604 -2.830 1.00 0.00 C ATOM 920 C TYR B 27 5.715 20.893 -1.797 1.00 0.00 C ATOM 921 O TYR B 27 6.810 20.460 -2.092 1.00 0.00 O ATOM 922 CB TYR B 27 3.458 20.947 -2.904 1.00 0.00 C ATOM 923 CG TYR B 27 3.608 19.512 -3.351 1.00 0.00 C ATOM 924 CD1 TYR B 27 3.936 18.518 -2.418 1.00 0.00 C ATOM 925 CD2 TYR B 27 3.417 19.173 -4.697 1.00 0.00 C ATOM 926 CE1 TYR B 27 4.074 17.187 -2.832 1.00 0.00 C ATOM 927 CE2 TYR B 27 3.555 17.842 -5.110 1.00 0.00 C ATOM 928 CZ TYR B 27 3.884 16.847 -4.178 1.00 0.00 C ATOM 929 OH TYR B 27 4.018 15.537 -4.586 1.00 0.00 O ATOM 0 H TYR B 27 6.007 20.626 -4.322 1.00 0.00 H new ATOM 0 HA TYR B 27 4.772 22.649 -2.528 1.00 0.00 H new ATOM 0 HB2 TYR B 27 2.972 20.987 -1.929 1.00 0.00 H new ATOM 0 HB3 TYR B 27 2.821 21.491 -3.601 1.00 0.00 H new ATOM 0 HD1 TYR B 27 4.082 18.779 -1.380 1.00 0.00 H new ATOM 0 HD2 TYR B 27 3.163 19.938 -5.416 1.00 0.00 H new ATOM 0 HE1 TYR B 27 4.327 16.422 -2.113 1.00 0.00 H new ATOM 0 HE2 TYR B 27 3.408 17.581 -6.148 1.00 0.00 H new ATOM 0 HH TYR B 27 3.852 15.476 -5.550 1.00 0.00 H new ATOM 939 N ALA B 28 5.241 20.771 -0.587 1.00 0.00 N ATOM 940 CA ALA B 28 6.049 20.086 0.464 1.00 0.00 C ATOM 941 C ALA B 28 5.127 19.360 1.447 1.00 0.00 C ATOM 942 O ALA B 28 4.392 20.035 2.148 1.00 0.00 O ATOM 943 CB ALA B 28 6.811 21.207 1.173 1.00 0.00 C ATOM 944 OXT ALA B 28 5.174 18.141 1.480 1.00 0.00 O ATOM 0 H ALA B 28 4.331 21.115 -0.280 1.00 0.00 H new ATOM 0 HA ALA B 28 6.722 19.338 0.046 1.00 0.00 H new ATOM 0 HB1 ALA B 28 7.431 20.783 1.963 1.00 0.00 H new ATOM 0 HB2 ALA B 28 7.445 21.727 0.455 1.00 0.00 H new ATOM 0 HB3 ALA B 28 6.101 21.911 1.607 1.00 0.00 H new TER 950 ALA B 28