USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=14 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+ 141:sc= -0.0174 (180deg=-0.94) USER MOD Single : A 2 MET CE :methyl -160:sc= -0.279 (180deg=-0.713) 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 23:sc= 1.15 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 -125:sc= 0.654 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 120:sc= 0.0704 USER MOD Single : A 24 ASN : amide:sc= -0.169 K(o=-0.17,f=-3.1!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 ARG N :NH3+ 142:sc= -0.0516 (180deg=-0.949) USER MOD Single : B 2 MET CE :methyl -161:sc= -0.294 (180deg=-0.727) 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 18:sc= 1.24 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 -119:sc= 0.619 USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 THR OG1 : rot 117:sc= 0.0762 USER MOD Single : B 24 ASN : amide:sc= -0.272 K(o=-0.27,f=-2.9!) USER MOD Single : B 27 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 25.492 -13.169 -2.649 1.00 0.00 N ATOM 2 CA ARG A 1 24.883 -13.473 -3.976 1.00 0.00 C ATOM 3 C ARG A 1 23.406 -13.071 -3.985 1.00 0.00 C ATOM 4 O ARG A 1 22.960 -12.293 -3.166 1.00 0.00 O ATOM 5 CB ARG A 1 25.030 -14.987 -4.142 1.00 0.00 C ATOM 6 CG ARG A 1 24.274 -15.700 -3.019 1.00 0.00 C ATOM 7 CD ARG A 1 24.212 -17.200 -3.317 1.00 0.00 C ATOM 8 NE ARG A 1 23.810 -17.831 -2.029 1.00 0.00 N ATOM 9 CZ ARG A 1 24.241 -19.024 -1.725 1.00 0.00 C ATOM 10 NH1 ARG A 1 24.189 -19.982 -2.610 1.00 0.00 N ATOM 11 NH2 ARG A 1 24.725 -19.260 -0.536 1.00 0.00 N ATOM 0 H1 ARG A 1 26.148 -13.932 -2.385 1.00 0.00 H new ATOM 0 H2 ARG A 1 26.011 -12.269 -2.703 1.00 0.00 H new ATOM 0 H3 ARG A 1 24.742 -13.094 -1.932 1.00 0.00 H new ATOM 0 HA ARG A 1 25.364 -12.926 -4.787 1.00 0.00 H new ATOM 0 HB2 ARG A 1 24.639 -15.297 -5.111 1.00 0.00 H new ATOM 0 HB3 ARG A 1 26.084 -15.265 -4.119 1.00 0.00 H new ATOM 0 HG2 ARG A 1 24.772 -15.528 -2.065 1.00 0.00 H new ATOM 0 HG3 ARG A 1 23.266 -15.294 -2.930 1.00 0.00 H new ATOM 0 HD2 ARG A 1 23.491 -17.417 -4.105 1.00 0.00 H new ATOM 0 HD3 ARG A 1 25.177 -17.575 -3.656 1.00 0.00 H new ATOM 0 HE ARG A 1 23.198 -17.330 -1.385 1.00 0.00 H new ATOM 0 HH11 ARG A 1 23.811 -19.798 -3.539 1.00 0.00 H new ATOM 0 HH12 ARG A 1 24.526 -20.915 -2.372 1.00 0.00 H new ATOM 0 HH21 ARG A 1 24.766 -18.511 0.156 1.00 0.00 H new ATOM 0 HH22 ARG A 1 25.062 -20.193 -0.298 1.00 0.00 H new ATOM 27 N MET A 2 22.645 -13.594 -4.907 1.00 0.00 N ATOM 28 CA MET A 2 21.197 -13.241 -4.967 1.00 0.00 C ATOM 29 C MET A 2 20.342 -14.511 -4.937 1.00 0.00 C ATOM 30 O MET A 2 20.848 -15.609 -4.809 1.00 0.00 O ATOM 31 CB MET A 2 21.022 -12.509 -6.298 1.00 0.00 C ATOM 32 CG MET A 2 21.400 -13.445 -7.450 1.00 0.00 C ATOM 33 SD MET A 2 20.694 -12.817 -8.993 1.00 0.00 S ATOM 34 CE MET A 2 19.032 -13.497 -8.777 1.00 0.00 C ATOM 0 H MET A 2 22.962 -14.250 -5.621 1.00 0.00 H new ATOM 0 HA MET A 2 20.886 -12.628 -4.121 1.00 0.00 H new ATOM 0 HB2 MET A 2 19.990 -12.177 -6.409 1.00 0.00 H new ATOM 0 HB3 MET A 2 21.648 -11.617 -6.320 1.00 0.00 H new ATOM 0 HG2 MET A 2 22.484 -13.515 -7.535 1.00 0.00 H new ATOM 0 HG3 MET A 2 21.031 -14.451 -7.251 1.00 0.00 H new ATOM 0 HE1 MET A 2 18.530 -13.544 -9.743 1.00 0.00 H new ATOM 0 HE2 MET A 2 19.101 -14.500 -8.355 1.00 0.00 H new ATOM 0 HE3 MET A 2 18.462 -12.858 -8.103 1.00 0.00 H new ATOM 44 N LYS A 3 19.051 -14.370 -5.053 1.00 0.00 N ATOM 45 CA LYS A 3 18.166 -15.571 -5.032 1.00 0.00 C ATOM 46 C LYS A 3 17.001 -15.385 -6.008 1.00 0.00 C ATOM 47 O LYS A 3 17.024 -14.516 -6.857 1.00 0.00 O ATOM 48 CB LYS A 3 17.653 -15.658 -3.595 1.00 0.00 C ATOM 49 CG LYS A 3 16.835 -14.408 -3.268 1.00 0.00 C ATOM 50 CD LYS A 3 16.763 -14.227 -1.750 1.00 0.00 C ATOM 51 CE LYS A 3 15.315 -14.393 -1.284 1.00 0.00 C ATOM 52 NZ LYS A 3 15.215 -13.567 -0.048 1.00 0.00 N ATOM 0 H LYS A 3 18.570 -13.477 -5.161 1.00 0.00 H new ATOM 0 HA LYS A 3 18.691 -16.478 -5.333 1.00 0.00 H new ATOM 0 HB2 LYS A 3 17.039 -16.550 -3.470 1.00 0.00 H new ATOM 0 HB3 LYS A 3 18.491 -15.748 -2.904 1.00 0.00 H new ATOM 0 HG2 LYS A 3 17.291 -13.531 -3.728 1.00 0.00 H new ATOM 0 HG3 LYS A 3 15.831 -14.499 -3.682 1.00 0.00 H new ATOM 0 HD2 LYS A 3 17.402 -14.959 -1.255 1.00 0.00 H new ATOM 0 HD3 LYS A 3 17.135 -13.241 -1.473 1.00 0.00 H new ATOM 0 HE2 LYS A 3 14.613 -14.052 -2.045 1.00 0.00 H new ATOM 0 HE3 LYS A 3 15.082 -15.438 -1.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 14.249 -13.628 0.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 15.890 -13.919 0.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 15.435 -12.576 -0.274 1.00 0.00 H new ATOM 66 N LYS A 4 15.983 -16.192 -5.894 1.00 0.00 N ATOM 67 CA LYS A 4 14.819 -16.059 -6.817 1.00 0.00 C ATOM 68 C LYS A 4 13.513 -16.316 -6.061 1.00 0.00 C ATOM 69 O LYS A 4 13.461 -17.110 -5.144 1.00 0.00 O ATOM 70 CB LYS A 4 15.039 -17.128 -7.888 1.00 0.00 C ATOM 71 CG LYS A 4 14.391 -16.680 -9.199 1.00 0.00 C ATOM 72 CD LYS A 4 15.480 -16.352 -10.222 1.00 0.00 C ATOM 73 CE LYS A 4 14.832 -15.885 -11.527 1.00 0.00 C ATOM 74 NZ LYS A 4 15.058 -17.001 -12.489 1.00 0.00 N ATOM 0 H LYS A 4 15.906 -16.938 -5.202 1.00 0.00 H new ATOM 0 HA LYS A 4 14.745 -15.060 -7.248 1.00 0.00 H new ATOM 0 HB2 LYS A 4 16.106 -17.295 -8.036 1.00 0.00 H new ATOM 0 HB3 LYS A 4 14.610 -18.076 -7.564 1.00 0.00 H new ATOM 0 HG2 LYS A 4 13.742 -17.467 -9.583 1.00 0.00 H new ATOM 0 HG3 LYS A 4 13.764 -15.805 -9.027 1.00 0.00 H new ATOM 0 HD2 LYS A 4 16.138 -15.575 -9.832 1.00 0.00 H new ATOM 0 HD3 LYS A 4 16.098 -17.231 -10.405 1.00 0.00 H new ATOM 0 HE2 LYS A 4 13.768 -15.689 -11.392 1.00 0.00 H new ATOM 0 HE3 LYS A 4 15.284 -14.959 -11.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 14.641 -16.755 -13.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 16.079 -17.160 -12.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 14.611 -17.867 -12.127 1.00 0.00 H new ATOM 88 N LYS A 5 12.457 -15.650 -6.441 1.00 0.00 N ATOM 89 CA LYS A 5 11.155 -15.857 -5.743 1.00 0.00 C ATOM 90 C LYS A 5 10.193 -16.641 -6.641 1.00 0.00 C ATOM 91 O LYS A 5 10.571 -17.146 -7.679 1.00 0.00 O ATOM 92 CB LYS A 5 10.617 -14.450 -5.482 1.00 0.00 C ATOM 93 CG LYS A 5 10.867 -14.071 -4.021 1.00 0.00 C ATOM 94 CD LYS A 5 10.605 -12.576 -3.830 1.00 0.00 C ATOM 95 CE LYS A 5 9.097 -12.322 -3.796 1.00 0.00 C ATOM 96 NZ LYS A 5 8.931 -11.116 -2.936 1.00 0.00 N ATOM 0 H LYS A 5 12.439 -14.972 -7.203 1.00 0.00 H new ATOM 0 HA LYS A 5 11.267 -16.428 -4.821 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.105 -13.734 -6.143 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.550 -14.411 -5.702 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.216 -14.652 -3.367 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.894 -14.310 -3.743 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.063 -12.231 -2.903 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.062 -12.009 -4.642 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.702 -12.150 -4.798 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.561 -13.178 -3.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.921 -10.878 -2.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.310 -11.311 -1.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.446 -10.316 -3.356 1.00 0.00 H new ATOM 110 N ASP A 6 8.955 -16.746 -6.248 1.00 0.00 N ATOM 111 CA ASP A 6 7.970 -17.497 -7.078 1.00 0.00 C ATOM 112 C ASP A 6 7.127 -16.525 -7.907 1.00 0.00 C ATOM 113 O ASP A 6 5.927 -16.674 -8.027 1.00 0.00 O ATOM 114 CB ASP A 6 7.093 -18.245 -6.073 1.00 0.00 C ATOM 115 CG ASP A 6 6.382 -17.238 -5.167 1.00 0.00 C ATOM 116 OD1 ASP A 6 6.994 -16.799 -4.207 1.00 0.00 O ATOM 117 OD2 ASP A 6 5.238 -16.922 -5.449 1.00 0.00 O ATOM 0 H ASP A 6 8.581 -16.345 -5.388 1.00 0.00 H new ATOM 0 HA ASP A 6 8.454 -18.176 -7.780 1.00 0.00 H new ATOM 0 HB2 ASP A 6 6.361 -18.858 -6.599 1.00 0.00 H new ATOM 0 HB3 ASP A 6 7.703 -18.921 -5.474 1.00 0.00 H new ATOM 122 N GLU A 7 7.745 -15.528 -8.479 1.00 0.00 N ATOM 123 CA GLU A 7 6.979 -14.546 -9.299 1.00 0.00 C ATOM 124 C GLU A 7 6.506 -15.198 -10.601 1.00 0.00 C ATOM 125 O GLU A 7 7.262 -15.352 -11.540 1.00 0.00 O ATOM 126 CB GLU A 7 7.969 -13.418 -9.592 1.00 0.00 C ATOM 127 CG GLU A 7 7.201 -12.149 -9.965 1.00 0.00 C ATOM 128 CD GLU A 7 8.189 -11.061 -10.390 1.00 0.00 C ATOM 129 OE1 GLU A 7 8.881 -10.548 -9.526 1.00 0.00 O ATOM 130 OE2 GLU A 7 8.235 -10.759 -11.571 1.00 0.00 O ATOM 0 H GLU A 7 8.747 -15.351 -8.414 1.00 0.00 H new ATOM 0 HA GLU A 7 6.089 -14.184 -8.785 1.00 0.00 H new ATOM 0 HB2 GLU A 7 8.595 -13.233 -8.719 1.00 0.00 H new ATOM 0 HB3 GLU A 7 8.634 -13.706 -10.406 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.503 -12.358 -10.776 1.00 0.00 H new ATOM 0 HG3 GLU A 7 6.609 -11.806 -9.116 1.00 0.00 H new ATOM 137 N GLY A 8 5.261 -15.582 -10.663 1.00 0.00 N ATOM 138 CA GLY A 8 4.739 -16.224 -11.903 1.00 0.00 C ATOM 139 C GLY A 8 3.845 -15.235 -12.653 1.00 0.00 C ATOM 140 O GLY A 8 4.177 -14.077 -12.808 1.00 0.00 O ATOM 0 H GLY A 8 4.582 -15.479 -9.909 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.567 -16.537 -12.539 1.00 0.00 H new ATOM 0 HA3 GLY A 8 4.174 -17.121 -11.650 1.00 0.00 H new ATOM 144 N SER A 9 2.711 -15.682 -13.119 1.00 0.00 N ATOM 145 CA SER A 9 1.796 -14.764 -13.858 1.00 0.00 C ATOM 146 C SER A 9 0.419 -15.410 -14.025 1.00 0.00 C ATOM 147 O SER A 9 0.296 -16.522 -14.499 1.00 0.00 O ATOM 148 CB SER A 9 2.459 -14.556 -15.219 1.00 0.00 C ATOM 149 OG SER A 9 3.349 -13.451 -15.144 1.00 0.00 O ATOM 0 H SER A 9 2.378 -16.641 -13.021 1.00 0.00 H new ATOM 0 HA SER A 9 1.642 -13.822 -13.331 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.001 -15.455 -15.513 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.701 -14.376 -15.982 1.00 0.00 H new ATOM 0 HG SER A 9 3.610 -13.304 -14.211 1.00 0.00 H new ATOM 155 N TYR A 10 -0.620 -14.721 -13.636 1.00 0.00 N ATOM 156 CA TYR A 10 -1.990 -15.296 -13.771 1.00 0.00 C ATOM 157 C TYR A 10 -3.035 -14.179 -13.734 1.00 0.00 C ATOM 158 O TYR A 10 -4.022 -14.214 -14.442 1.00 0.00 O ATOM 159 CB TYR A 10 -2.150 -16.220 -12.565 1.00 0.00 C ATOM 160 CG TYR A 10 -1.867 -15.449 -11.299 1.00 0.00 C ATOM 161 CD1 TYR A 10 -0.544 -15.209 -10.906 1.00 0.00 C ATOM 162 CD2 TYR A 10 -2.927 -14.971 -10.517 1.00 0.00 C ATOM 163 CE1 TYR A 10 -0.281 -14.492 -9.732 1.00 0.00 C ATOM 164 CE2 TYR A 10 -2.664 -14.254 -9.342 1.00 0.00 C ATOM 165 CZ TYR A 10 -1.340 -14.015 -8.950 1.00 0.00 C ATOM 166 OH TYR A 10 -1.082 -13.308 -7.793 1.00 0.00 O ATOM 0 H TYR A 10 -0.580 -13.786 -13.231 1.00 0.00 H new ATOM 0 HA TYR A 10 -2.126 -15.828 -14.713 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -3.161 -16.627 -12.537 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.468 -17.066 -12.648 1.00 0.00 H new ATOM 0 HD1 TYR A 10 0.273 -15.577 -11.508 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -3.947 -15.155 -10.820 1.00 0.00 H new ATOM 0 HE1 TYR A 10 0.739 -14.307 -9.430 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -3.481 -13.886 -8.739 1.00 0.00 H new ATOM 0 HH TYR A 10 -1.928 -13.050 -7.372 1.00 0.00 H new ATOM 176 N ASP A 11 -2.826 -13.187 -12.912 1.00 0.00 N ATOM 177 CA ASP A 11 -3.806 -12.066 -12.828 1.00 0.00 C ATOM 178 C ASP A 11 -3.069 -10.729 -12.726 1.00 0.00 C ATOM 179 O ASP A 11 -3.210 -10.005 -11.761 1.00 0.00 O ATOM 180 CB ASP A 11 -4.609 -12.337 -11.555 1.00 0.00 C ATOM 181 CG ASP A 11 -5.611 -11.203 -11.332 1.00 0.00 C ATOM 182 OD1 ASP A 11 -6.640 -11.211 -11.987 1.00 0.00 O ATOM 183 OD2 ASP A 11 -5.333 -10.347 -10.508 1.00 0.00 O ATOM 0 H ASP A 11 -2.018 -13.104 -12.294 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.447 -12.009 -13.708 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.134 -13.289 -11.639 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.938 -12.417 -10.700 1.00 0.00 H new ATOM 188 N LEU A 12 -2.286 -10.396 -13.715 1.00 0.00 N ATOM 189 CA LEU A 12 -1.541 -9.108 -13.676 1.00 0.00 C ATOM 190 C LEU A 12 -0.906 -8.822 -15.039 1.00 0.00 C ATOM 191 O LEU A 12 -0.480 -9.721 -15.737 1.00 0.00 O ATOM 192 CB LEU A 12 -0.461 -9.309 -12.613 1.00 0.00 C ATOM 193 CG LEU A 12 0.397 -8.047 -12.508 1.00 0.00 C ATOM 194 CD1 LEU A 12 1.075 -8.001 -11.138 1.00 0.00 C ATOM 195 CD2 LEU A 12 1.465 -8.066 -13.603 1.00 0.00 C ATOM 0 H LEU A 12 -2.130 -10.962 -14.549 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.189 -8.263 -13.445 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.921 -9.529 -11.650 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.163 -10.165 -12.871 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.235 -7.168 -12.629 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.686 -7.101 -11.064 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.315 -7.989 -10.356 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.708 -8.880 -11.015 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.077 -7.167 -13.530 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.096 -8.946 -13.480 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.984 -8.098 -14.580 1.00 0.00 H new ATOM 207 N GLY A 13 -0.840 -7.577 -15.423 1.00 0.00 N ATOM 208 CA GLY A 13 -0.234 -7.233 -16.740 1.00 0.00 C ATOM 209 C GLY A 13 0.026 -5.728 -16.804 1.00 0.00 C ATOM 210 O GLY A 13 1.106 -5.289 -17.148 1.00 0.00 O ATOM 0 H GLY A 13 -1.180 -6.782 -14.881 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.699 -7.780 -16.877 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.901 -7.532 -17.549 1.00 0.00 H new ATOM 214 N LYS A 14 -0.956 -4.932 -16.476 1.00 0.00 N ATOM 215 CA LYS A 14 -0.763 -3.454 -16.518 1.00 0.00 C ATOM 216 C LYS A 14 -0.719 -2.886 -15.097 1.00 0.00 C ATOM 217 O LYS A 14 -1.126 -3.528 -14.149 1.00 0.00 O ATOM 218 CB LYS A 14 -1.979 -2.917 -17.274 1.00 0.00 C ATOM 219 CG LYS A 14 -1.622 -2.733 -18.749 1.00 0.00 C ATOM 220 CD LYS A 14 -2.015 -3.990 -19.529 1.00 0.00 C ATOM 221 CE LYS A 14 -1.704 -3.789 -21.013 1.00 0.00 C ATOM 222 NZ LYS A 14 -0.340 -4.357 -21.200 1.00 0.00 N ATOM 0 H LYS A 14 -1.882 -5.241 -16.181 1.00 0.00 H new ATOM 0 HA LYS A 14 0.173 -3.173 -17.001 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.816 -3.608 -17.175 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.297 -1.967 -16.845 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.140 -1.864 -19.154 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.554 -2.545 -18.855 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.470 -4.853 -19.146 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.077 -4.197 -19.394 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.434 -4.299 -21.642 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.733 -2.733 -21.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.055 -4.256 -22.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.334 -3.848 -20.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.345 -5.364 -20.942 1.00 0.00 H new ATOM 236 N LYS A 15 -0.229 -1.686 -14.942 1.00 0.00 N ATOM 237 CA LYS A 15 -0.160 -1.079 -13.582 1.00 0.00 C ATOM 238 C LYS A 15 -0.727 0.343 -13.610 1.00 0.00 C ATOM 239 O LYS A 15 -0.809 0.959 -14.653 1.00 0.00 O ATOM 240 CB LYS A 15 1.330 -1.054 -13.235 1.00 0.00 C ATOM 241 CG LYS A 15 2.106 -0.378 -14.366 1.00 0.00 C ATOM 242 CD LYS A 15 3.574 -0.231 -13.962 1.00 0.00 C ATOM 243 CE LYS A 15 4.433 -1.176 -14.805 1.00 0.00 C ATOM 244 NZ LYS A 15 5.587 -1.527 -13.932 1.00 0.00 N ATOM 0 H LYS A 15 0.126 -1.100 -15.698 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.740 -1.639 -12.849 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.487 -0.517 -12.300 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.696 -2.070 -13.085 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.027 -0.968 -15.279 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.677 0.601 -14.581 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.900 0.799 -14.105 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.695 -0.459 -12.903 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.873 -2.065 -15.096 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.765 -0.694 -15.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 6.223 -2.174 -14.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.105 -0.662 -13.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.240 -1.991 -13.068 1.00 0.00 H new ATOM 258 N PRO A 16 -1.098 0.815 -12.452 1.00 0.00 N ATOM 259 CA PRO A 16 -1.665 2.180 -12.331 1.00 0.00 C ATOM 260 C PRO A 16 -0.566 3.233 -12.507 1.00 0.00 C ATOM 261 O PRO A 16 0.606 2.955 -12.342 1.00 0.00 O ATOM 262 CB PRO A 16 -2.227 2.211 -10.913 1.00 0.00 C ATOM 263 CG PRO A 16 -1.441 1.183 -10.163 1.00 0.00 C ATOM 264 CD PRO A 16 -1.028 0.129 -11.157 1.00 0.00 C ATOM 0 HA PRO A 16 -2.419 2.399 -13.087 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.114 3.198 -10.465 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -3.292 1.977 -10.905 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.566 1.634 -9.694 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.041 0.746 -9.365 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -0.022 -0.239 -10.954 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.695 -0.733 -11.125 1.00 0.00 H new ATOM 272 N ILE A 17 -0.937 4.439 -12.838 1.00 0.00 N ATOM 273 CA ILE A 17 0.076 5.507 -13.023 1.00 0.00 C ATOM 274 C ILE A 17 -0.568 6.880 -12.838 1.00 0.00 C ATOM 275 O ILE A 17 -0.630 7.673 -13.752 1.00 0.00 O ATOM 276 CB ILE A 17 0.581 5.333 -14.453 1.00 0.00 C ATOM 277 CG1 ILE A 17 -0.605 5.157 -15.402 1.00 0.00 C ATOM 278 CG2 ILE A 17 1.480 4.096 -14.528 1.00 0.00 C ATOM 279 CD1 ILE A 17 -0.125 5.300 -16.848 1.00 0.00 C ATOM 0 H ILE A 17 -1.903 4.729 -12.988 1.00 0.00 H new ATOM 0 HA ILE A 17 0.887 5.439 -12.298 1.00 0.00 H new ATOM 0 HB ILE A 17 1.148 6.217 -14.745 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.061 4.178 -15.254 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.371 5.902 -15.186 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.841 3.970 -15.549 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.328 4.222 -13.855 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.911 3.214 -14.233 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.969 5.175 -17.526 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.311 6.289 -16.991 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.626 4.538 -17.059 1.00 0.00 H new ATOM 291 N TYR A 18 -1.048 7.166 -11.659 1.00 0.00 N ATOM 292 CA TYR A 18 -1.689 8.489 -11.415 1.00 0.00 C ATOM 293 C TYR A 18 -0.619 9.566 -11.205 1.00 0.00 C ATOM 294 O TYR A 18 -0.056 9.693 -10.136 1.00 0.00 O ATOM 295 CB TYR A 18 -2.511 8.296 -10.138 1.00 0.00 C ATOM 296 CG TYR A 18 -3.858 8.961 -10.291 1.00 0.00 C ATOM 297 CD1 TYR A 18 -4.903 8.282 -10.928 1.00 0.00 C ATOM 298 CD2 TYR A 18 -4.061 10.257 -9.800 1.00 0.00 C ATOM 299 CE1 TYR A 18 -6.153 8.897 -11.075 1.00 0.00 C ATOM 300 CE2 TYR A 18 -5.312 10.873 -9.945 1.00 0.00 C ATOM 301 CZ TYR A 18 -6.358 10.192 -10.582 1.00 0.00 C ATOM 302 OH TYR A 18 -7.589 10.800 -10.726 1.00 0.00 O ATOM 0 H TYR A 18 -1.024 6.540 -10.854 1.00 0.00 H new ATOM 0 HA TYR A 18 -2.304 8.813 -12.255 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.641 7.233 -9.936 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.981 8.720 -9.286 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -4.746 7.283 -11.307 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.254 10.782 -9.310 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -6.958 8.373 -11.568 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -5.469 11.872 -9.566 1.00 0.00 H new ATOM 0 HH TYR A 18 -7.477 11.663 -11.176 1.00 0.00 H new ATOM 312 N LYS A 19 -0.336 10.342 -12.215 1.00 0.00 N ATOM 313 CA LYS A 19 0.696 11.410 -12.067 1.00 0.00 C ATOM 314 C LYS A 19 0.697 12.323 -13.297 1.00 0.00 C ATOM 315 O LYS A 19 1.666 12.398 -14.025 1.00 0.00 O ATOM 316 CB LYS A 19 2.026 10.663 -11.954 1.00 0.00 C ATOM 317 CG LYS A 19 2.926 11.373 -10.940 1.00 0.00 C ATOM 318 CD LYS A 19 4.041 12.116 -11.679 1.00 0.00 C ATOM 319 CE LYS A 19 5.218 12.346 -10.730 1.00 0.00 C ATOM 320 NZ LYS A 19 5.843 13.617 -11.193 1.00 0.00 N ATOM 0 H LYS A 19 -0.773 10.284 -13.135 1.00 0.00 H new ATOM 0 HA LYS A 19 0.509 12.045 -11.201 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.851 9.633 -11.643 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.517 10.623 -12.926 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.340 12.074 -10.345 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.354 10.648 -10.248 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.366 11.538 -12.544 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.670 13.070 -12.053 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.882 12.425 -9.696 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.927 11.519 -10.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.660 13.842 -10.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.159 13.510 -12.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.147 14.387 -11.135 1.00 0.00 H new ATOM 334 N LYS A 20 -0.382 13.019 -13.531 1.00 0.00 N ATOM 335 CA LYS A 20 -0.440 13.927 -14.712 1.00 0.00 C ATOM 336 C LYS A 20 0.182 15.283 -14.367 1.00 0.00 C ATOM 337 O LYS A 20 0.596 15.520 -13.250 1.00 0.00 O ATOM 338 CB LYS A 20 -1.930 14.085 -15.020 1.00 0.00 C ATOM 339 CG LYS A 20 -2.106 14.567 -16.461 1.00 0.00 C ATOM 340 CD LYS A 20 -3.179 13.724 -17.154 1.00 0.00 C ATOM 341 CE LYS A 20 -3.538 14.360 -18.499 1.00 0.00 C ATOM 342 NZ LYS A 20 -4.615 13.496 -19.056 1.00 0.00 N ATOM 0 H LYS A 20 -1.225 12.998 -12.957 1.00 0.00 H new ATOM 0 HA LYS A 20 0.112 13.530 -15.564 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.444 13.134 -14.878 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.381 14.798 -14.329 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.392 15.619 -16.471 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.162 14.488 -17.000 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.816 12.707 -17.306 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.066 13.655 -16.524 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.881 15.387 -18.371 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.675 14.393 -19.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.915 13.868 -19.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.257 12.527 -19.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.426 13.489 -18.405 1.00 0.00 H new ATOM 356 N ALA A 21 0.252 16.175 -15.317 1.00 0.00 N ATOM 357 CA ALA A 21 0.849 17.514 -15.040 1.00 0.00 C ATOM 358 C ALA A 21 0.023 18.613 -15.713 1.00 0.00 C ATOM 359 O ALA A 21 0.537 19.383 -16.500 1.00 0.00 O ATOM 360 CB ALA A 21 2.252 17.453 -15.642 1.00 0.00 C ATOM 0 H ALA A 21 -0.078 16.036 -16.272 1.00 0.00 H new ATOM 0 HA ALA A 21 0.871 17.743 -13.975 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.759 18.404 -15.480 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.818 16.653 -15.164 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.181 17.258 -16.712 1.00 0.00 H new ATOM 366 N PRO A 22 -1.237 18.648 -15.376 1.00 0.00 N ATOM 367 CA PRO A 22 -2.152 19.662 -15.952 1.00 0.00 C ATOM 368 C PRO A 22 -1.877 21.038 -15.337 1.00 0.00 C ATOM 369 O PRO A 22 -0.832 21.274 -14.764 1.00 0.00 O ATOM 370 CB PRO A 22 -3.538 19.159 -15.560 1.00 0.00 C ATOM 371 CG PRO A 22 -3.316 18.320 -14.341 1.00 0.00 C ATOM 372 CD PRO A 22 -1.922 17.753 -14.437 1.00 0.00 C ATOM 0 HA PRO A 22 -2.037 19.781 -17.029 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.214 19.988 -15.351 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -3.988 18.576 -16.364 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -3.426 18.919 -13.437 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.054 17.520 -14.285 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.428 17.741 -13.465 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.933 16.726 -14.801 1.00 0.00 H new ATOM 380 N THR A 23 -2.807 21.945 -15.449 1.00 0.00 N ATOM 381 CA THR A 23 -2.598 23.303 -14.869 1.00 0.00 C ATOM 382 C THR A 23 -3.542 23.520 -13.684 1.00 0.00 C ATOM 383 O THR A 23 -4.307 22.649 -13.320 1.00 0.00 O ATOM 384 CB THR A 23 -2.927 24.274 -16.003 1.00 0.00 C ATOM 385 OG1 THR A 23 -4.274 24.083 -16.410 1.00 0.00 O ATOM 386 CG2 THR A 23 -1.993 24.017 -17.186 1.00 0.00 C ATOM 0 H THR A 23 -3.703 21.806 -15.917 1.00 0.00 H new ATOM 0 HA THR A 23 -1.583 23.442 -14.497 1.00 0.00 H new ATOM 0 HB THR A 23 -2.793 25.298 -15.655 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.774 24.917 -16.287 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.229 24.710 -17.993 1.00 0.00 H new ATOM 0 HG22 THR A 23 -0.960 24.164 -16.872 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.124 22.993 -17.537 1.00 0.00 H new ATOM 394 N ASN A 24 -3.497 24.675 -13.079 1.00 0.00 N ATOM 395 CA ASN A 24 -4.396 24.945 -11.920 1.00 0.00 C ATOM 396 C ASN A 24 -5.729 25.514 -12.410 1.00 0.00 C ATOM 397 O ASN A 24 -5.914 26.712 -12.484 1.00 0.00 O ATOM 398 CB ASN A 24 -3.650 25.975 -11.071 1.00 0.00 C ATOM 399 CG ASN A 24 -4.027 25.795 -9.600 1.00 0.00 C ATOM 400 OD1 ASN A 24 -4.732 24.870 -9.250 1.00 0.00 O ATOM 401 ND2 ASN A 24 -3.584 26.647 -8.717 1.00 0.00 N ATOM 0 H ASN A 24 -2.877 25.443 -13.336 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.625 24.042 -11.354 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.574 25.856 -11.199 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.901 26.983 -11.401 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.830 26.536 -7.733 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.992 27.424 -9.010 1.00 0.00 H new ATOM 408 N GLU A 25 -6.660 24.663 -12.747 1.00 0.00 N ATOM 409 CA GLU A 25 -7.980 25.155 -13.235 1.00 0.00 C ATOM 410 C GLU A 25 -9.046 24.071 -13.058 1.00 0.00 C ATOM 411 O GLU A 25 -8.748 22.894 -13.021 1.00 0.00 O ATOM 412 CB GLU A 25 -7.763 25.457 -14.718 1.00 0.00 C ATOM 413 CG GLU A 25 -7.897 26.961 -14.960 1.00 0.00 C ATOM 414 CD GLU A 25 -6.510 27.568 -15.175 1.00 0.00 C ATOM 415 OE1 GLU A 25 -5.693 26.921 -15.808 1.00 0.00 O ATOM 416 OE2 GLU A 25 -6.287 28.670 -14.701 1.00 0.00 O ATOM 0 H GLU A 25 -6.563 23.648 -12.705 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.325 26.031 -12.686 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.776 25.115 -15.028 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.492 24.915 -15.320 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.525 27.145 -15.831 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.385 27.435 -14.109 1.00 0.00 H new ATOM 423 N PHE A 26 -10.287 24.458 -12.952 1.00 0.00 N ATOM 424 CA PHE A 26 -11.371 23.448 -12.780 1.00 0.00 C ATOM 425 C PHE A 26 -11.687 22.783 -14.122 1.00 0.00 C ATOM 426 O PHE A 26 -11.739 21.574 -14.230 1.00 0.00 O ATOM 427 CB PHE A 26 -12.578 24.243 -12.279 1.00 0.00 C ATOM 428 CG PHE A 26 -12.405 24.550 -10.811 1.00 0.00 C ATOM 429 CD1 PHE A 26 -12.388 23.509 -9.874 1.00 0.00 C ATOM 430 CD2 PHE A 26 -12.264 25.878 -10.387 1.00 0.00 C ATOM 431 CE1 PHE A 26 -12.229 23.796 -8.511 1.00 0.00 C ATOM 432 CE2 PHE A 26 -12.105 26.165 -9.024 1.00 0.00 C ATOM 433 CZ PHE A 26 -12.088 25.124 -8.086 1.00 0.00 C ATOM 0 H PHE A 26 -10.598 25.429 -12.977 1.00 0.00 H new ATOM 0 HA PHE A 26 -11.091 22.654 -12.088 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -12.678 25.169 -12.846 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -13.493 23.673 -12.437 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -12.497 22.486 -10.201 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -12.278 26.680 -11.110 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -12.215 22.994 -7.788 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -11.996 27.188 -8.697 1.00 0.00 H new ATOM 0 HZ PHE A 26 -11.966 25.345 -7.036 1.00 0.00 H new ATOM 443 N TYR A 27 -11.899 23.564 -15.146 1.00 0.00 N ATOM 444 CA TYR A 27 -12.211 22.975 -16.480 1.00 0.00 C ATOM 445 C TYR A 27 -11.185 23.440 -17.516 1.00 0.00 C ATOM 446 O TYR A 27 -10.926 24.618 -17.664 1.00 0.00 O ATOM 447 CB TYR A 27 -13.603 23.502 -16.829 1.00 0.00 C ATOM 448 CG TYR A 27 -14.641 22.481 -16.434 1.00 0.00 C ATOM 449 CD1 TYR A 27 -14.661 21.225 -17.056 1.00 0.00 C ATOM 450 CD2 TYR A 27 -15.584 22.786 -15.443 1.00 0.00 C ATOM 451 CE1 TYR A 27 -15.624 20.276 -16.688 1.00 0.00 C ATOM 452 CE2 TYR A 27 -16.547 21.837 -15.075 1.00 0.00 C ATOM 453 CZ TYR A 27 -16.567 20.583 -15.697 1.00 0.00 C ATOM 454 OH TYR A 27 -17.515 19.648 -15.335 1.00 0.00 O ATOM 0 H TYR A 27 -11.870 24.583 -15.117 1.00 0.00 H new ATOM 0 HA TYR A 27 -12.179 21.886 -16.469 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -13.788 24.443 -16.311 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -13.668 23.708 -17.897 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -13.934 20.989 -17.819 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -15.568 23.753 -14.963 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -15.640 19.308 -17.168 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -17.274 22.073 -14.312 1.00 0.00 H new ATOM 0 HH TYR A 27 -18.090 20.020 -14.634 1.00 0.00 H new ATOM 464 N ALA A 28 -10.596 22.523 -18.234 1.00 0.00 N ATOM 465 CA ALA A 28 -9.587 22.912 -19.261 1.00 0.00 C ATOM 466 C ALA A 28 -10.277 23.221 -20.592 1.00 0.00 C ATOM 467 O ALA A 28 -11.111 22.429 -21.001 1.00 0.00 O ATOM 468 CB ALA A 28 -8.674 21.694 -19.400 1.00 0.00 C ATOM 469 OXT ALA A 28 -9.962 24.242 -21.178 1.00 0.00 O ATOM 0 H ALA A 28 -10.770 21.521 -18.154 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.033 23.807 -18.977 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.901 21.901 -20.141 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.207 21.478 -18.439 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.262 20.833 -19.720 1.00 0.00 H new TER 475 ALA A 28 ATOM 476 N ARG B 1 -31.262 -9.219 -27.353 1.00 0.00 N ATOM 477 CA ARG B 1 -30.648 -9.806 -26.126 1.00 0.00 C ATOM 478 C ARG B 1 -29.151 -9.491 -26.083 1.00 0.00 C ATOM 479 O ARG B 1 -28.674 -8.596 -26.753 1.00 0.00 O ATOM 480 CB ARG B 1 -30.876 -11.312 -26.252 1.00 0.00 C ATOM 481 CG ARG B 1 -30.180 -11.831 -27.512 1.00 0.00 C ATOM 482 CD ARG B 1 -30.196 -13.362 -27.512 1.00 0.00 C ATOM 483 NE ARG B 1 -29.853 -13.748 -28.908 1.00 0.00 N ATOM 484 CZ ARG B 1 -30.354 -14.836 -29.427 1.00 0.00 C ATOM 485 NH1 ARG B 1 -30.341 -15.949 -28.746 1.00 0.00 N ATOM 486 NH2 ARG B 1 -30.869 -14.809 -30.626 1.00 0.00 N ATOM 0 H1 ARG B 1 -31.977 -9.873 -27.730 1.00 0.00 H new ATOM 0 H2 ARG B 1 -31.713 -8.312 -27.116 1.00 0.00 H new ATOM 0 H3 ARG B 1 -30.524 -9.062 -28.069 1.00 0.00 H new ATOM 0 HA ARG B 1 -31.084 -9.403 -25.212 1.00 0.00 H new ATOM 0 HB2 ARG B 1 -30.487 -11.824 -25.372 1.00 0.00 H new ATOM 0 HB3 ARG B 1 -31.944 -11.526 -26.299 1.00 0.00 H new ATOM 0 HG2 ARG B 1 -30.684 -11.452 -28.401 1.00 0.00 H new ATOM 0 HG3 ARG B 1 -29.153 -11.468 -27.549 1.00 0.00 H new ATOM 0 HD2 ARG B 1 -29.474 -13.765 -26.802 1.00 0.00 H new ATOM 0 HD3 ARG B 1 -31.174 -13.747 -27.225 1.00 0.00 H new ATOM 0 HE ARG B 1 -29.226 -13.162 -29.459 1.00 0.00 H new ATOM 0 HH11 ARG B 1 -29.940 -15.969 -27.809 1.00 0.00 H new ATOM 0 HH12 ARG B 1 -30.732 -16.799 -29.151 1.00 0.00 H new ATOM 0 HH21 ARG B 1 -30.880 -13.938 -31.157 1.00 0.00 H new ATOM 0 HH22 ARG B 1 -31.261 -15.659 -31.032 1.00 0.00 H new ATOM 502 N MET B 2 -28.405 -10.221 -25.298 1.00 0.00 N ATOM 503 CA MET B 2 -26.939 -9.963 -25.212 1.00 0.00 C ATOM 504 C MET B 2 -26.158 -11.246 -25.511 1.00 0.00 C ATOM 505 O MET B 2 -26.726 -12.270 -25.834 1.00 0.00 O ATOM 506 CB MET B 2 -26.700 -9.516 -23.769 1.00 0.00 C ATOM 507 CG MET B 2 -27.109 -10.636 -22.813 1.00 0.00 C ATOM 508 SD MET B 2 -26.345 -10.359 -21.195 1.00 0.00 S ATOM 509 CE MET B 2 -24.726 -11.068 -21.584 1.00 0.00 C ATOM 0 H MET B 2 -28.747 -10.984 -24.713 1.00 0.00 H new ATOM 0 HA MET B 2 -26.609 -9.214 -25.932 1.00 0.00 H new ATOM 0 HB2 MET B 2 -25.649 -9.266 -23.624 1.00 0.00 H new ATOM 0 HB3 MET B 2 -27.275 -8.614 -23.557 1.00 0.00 H new ATOM 0 HG2 MET B 2 -28.194 -10.666 -22.714 1.00 0.00 H new ATOM 0 HG3 MET B 2 -26.799 -11.601 -23.213 1.00 0.00 H new ATOM 0 HE1 MET B 2 -24.204 -11.313 -20.659 1.00 0.00 H new ATOM 0 HE2 MET B 2 -24.858 -11.973 -22.177 1.00 0.00 H new ATOM 0 HE3 MET B 2 -24.139 -10.345 -22.151 1.00 0.00 H new ATOM 519 N LYS B 3 -24.858 -11.198 -25.405 1.00 0.00 N ATOM 520 CA LYS B 3 -24.041 -12.414 -25.683 1.00 0.00 C ATOM 521 C LYS B 3 -22.852 -12.481 -24.721 1.00 0.00 C ATOM 522 O LYS B 3 -22.810 -11.791 -23.721 1.00 0.00 O ATOM 523 CB LYS B 3 -23.558 -12.246 -27.123 1.00 0.00 C ATOM 524 CG LYS B 3 -22.677 -10.999 -27.222 1.00 0.00 C ATOM 525 CD LYS B 3 -22.620 -10.529 -28.677 1.00 0.00 C ATOM 526 CE LYS B 3 -21.192 -10.675 -29.207 1.00 0.00 C ATOM 527 NZ LYS B 3 -21.065 -9.632 -30.261 1.00 0.00 N ATOM 0 H LYS B 3 -24.326 -10.370 -25.138 1.00 0.00 H new ATOM 0 HA LYS B 3 -24.610 -13.334 -25.550 1.00 0.00 H new ATOM 0 HB2 LYS B 3 -22.997 -13.127 -27.435 1.00 0.00 H new ATOM 0 HB3 LYS B 3 -24.411 -12.157 -27.796 1.00 0.00 H new ATOM 0 HG2 LYS B 3 -23.076 -10.207 -26.588 1.00 0.00 H new ATOM 0 HG3 LYS B 3 -21.673 -11.220 -26.861 1.00 0.00 H new ATOM 0 HD2 LYS B 3 -23.307 -11.116 -29.287 1.00 0.00 H new ATOM 0 HD3 LYS B 3 -22.940 -9.489 -28.747 1.00 0.00 H new ATOM 0 HE2 LYS B 3 -20.459 -10.526 -28.414 1.00 0.00 H new ATOM 0 HE3 LYS B 3 -21.022 -11.671 -29.615 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 -20.111 -9.669 -30.673 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 -21.770 -9.803 -31.006 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 -21.225 -8.694 -29.842 1.00 0.00 H new ATOM 541 N LYS B 4 -21.884 -13.303 -25.016 1.00 0.00 N ATOM 542 CA LYS B 4 -20.698 -13.412 -24.117 1.00 0.00 C ATOM 543 C LYS B 4 -19.421 -13.583 -24.943 1.00 0.00 C ATOM 544 O LYS B 4 -19.429 -14.185 -25.999 1.00 0.00 O ATOM 545 CB LYS B 4 -20.959 -14.656 -23.269 1.00 0.00 C ATOM 546 CG LYS B 4 -20.263 -14.506 -21.914 1.00 0.00 C ATOM 547 CD LYS B 4 -21.314 -14.327 -20.817 1.00 0.00 C ATOM 548 CE LYS B 4 -20.619 -14.158 -19.465 1.00 0.00 C ATOM 549 NZ LYS B 4 -20.891 -15.424 -18.732 1.00 0.00 N ATOM 0 H LYS B 4 -21.861 -13.904 -25.840 1.00 0.00 H new ATOM 0 HA LYS B 4 -20.561 -12.521 -23.504 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -22.031 -14.793 -23.126 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -20.590 -15.543 -23.783 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -19.653 -15.385 -21.708 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -19.591 -13.648 -21.932 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -21.933 -13.456 -21.031 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -21.978 -15.191 -20.791 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -19.548 -13.996 -19.589 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -21.011 -13.297 -18.924 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -20.445 -15.384 -17.793 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -21.918 -15.548 -18.623 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -20.500 -16.226 -19.267 1.00 0.00 H new ATOM 563 N LYS B 5 -18.323 -13.058 -24.472 1.00 0.00 N ATOM 564 CA LYS B 5 -17.047 -13.192 -25.232 1.00 0.00 C ATOM 565 C LYS B 5 -16.114 -14.183 -24.530 1.00 0.00 C ATOM 566 O LYS B 5 -16.500 -14.859 -23.597 1.00 0.00 O ATOM 567 CB LYS B 5 -16.435 -11.790 -25.230 1.00 0.00 C ATOM 568 CG LYS B 5 -16.688 -11.120 -26.583 1.00 0.00 C ATOM 569 CD LYS B 5 -16.347 -9.633 -26.487 1.00 0.00 C ATOM 570 CE LYS B 5 -14.826 -9.454 -26.513 1.00 0.00 C ATOM 571 NZ LYS B 5 -14.608 -8.115 -27.126 1.00 0.00 N ATOM 0 H LYS B 5 -18.254 -12.542 -23.595 1.00 0.00 H new ATOM 0 HA LYS B 5 -17.207 -13.567 -26.243 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -16.871 -11.193 -24.429 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -15.364 -11.850 -25.036 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -16.081 -11.594 -27.355 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -17.731 -11.247 -26.874 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -16.802 -9.091 -27.316 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -16.757 -9.214 -25.568 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -14.405 -9.502 -25.509 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -14.346 -10.239 -27.097 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -13.588 -7.919 -27.179 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -15.013 -8.102 -28.084 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -15.071 -7.387 -26.544 1.00 0.00 H new ATOM 585 N ASP B 6 -14.889 -14.275 -24.971 1.00 0.00 N ATOM 586 CA ASP B 6 -13.934 -15.222 -24.328 1.00 0.00 C ATOM 587 C ASP B 6 -13.025 -14.475 -23.349 1.00 0.00 C ATOM 588 O ASP B 6 -11.834 -14.709 -23.290 1.00 0.00 O ATOM 589 CB ASP B 6 -13.115 -15.805 -25.481 1.00 0.00 C ATOM 590 CG ASP B 6 -12.366 -14.679 -26.195 1.00 0.00 C ATOM 591 OD1 ASP B 6 -12.969 -14.031 -27.035 1.00 0.00 O ATOM 592 OD2 ASP B 6 -11.201 -14.484 -25.891 1.00 0.00 O ATOM 0 H ASP B 6 -14.508 -13.736 -25.748 1.00 0.00 H new ATOM 0 HA ASP B 6 -14.445 -15.998 -23.758 1.00 0.00 H new ATOM 0 HB2 ASP B 6 -12.408 -16.543 -25.102 1.00 0.00 H new ATOM 0 HB3 ASP B 6 -13.771 -16.322 -26.182 1.00 0.00 H new ATOM 597 N GLU B 7 -13.577 -13.576 -22.580 1.00 0.00 N ATOM 598 CA GLU B 7 -12.744 -12.814 -21.606 1.00 0.00 C ATOM 599 C GLU B 7 -12.285 -13.733 -20.470 1.00 0.00 C ATOM 600 O GLU B 7 -13.032 -14.028 -19.558 1.00 0.00 O ATOM 601 CB GLU B 7 -13.664 -11.718 -21.070 1.00 0.00 C ATOM 602 CG GLU B 7 -12.820 -10.587 -20.479 1.00 0.00 C ATOM 603 CD GLU B 7 -13.737 -9.551 -19.825 1.00 0.00 C ATOM 604 OE1 GLU B 7 -14.415 -8.845 -20.553 1.00 0.00 O ATOM 605 OE2 GLU B 7 -13.747 -9.483 -18.607 1.00 0.00 O ATOM 0 H GLU B 7 -14.568 -13.336 -22.584 1.00 0.00 H new ATOM 0 HA GLU B 7 -11.845 -12.403 -22.065 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -14.295 -11.334 -21.871 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -14.328 -12.126 -20.309 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -12.122 -10.987 -19.743 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -12.224 -10.118 -21.261 1.00 0.00 H new ATOM 612 N GLY B 8 -11.061 -14.185 -20.517 1.00 0.00 N ATOM 613 CA GLY B 8 -10.556 -15.083 -19.438 1.00 0.00 C ATOM 614 C GLY B 8 -9.597 -14.307 -18.535 1.00 0.00 C ATOM 615 O GLY B 8 -9.864 -13.186 -18.147 1.00 0.00 O ATOM 0 H GLY B 8 -10.389 -13.972 -21.255 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -11.390 -15.470 -18.853 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -10.046 -15.942 -19.874 1.00 0.00 H new ATOM 619 N SER B 9 -8.480 -14.892 -18.197 1.00 0.00 N ATOM 620 CA SER B 9 -7.505 -14.185 -17.319 1.00 0.00 C ATOM 621 C SER B 9 -6.162 -14.921 -17.318 1.00 0.00 C ATOM 622 O SER B 9 -6.095 -16.109 -17.072 1.00 0.00 O ATOM 623 CB SER B 9 -8.132 -14.211 -15.926 1.00 0.00 C ATOM 624 OG SER B 9 -8.962 -13.070 -15.762 1.00 0.00 O ATOM 0 H SER B 9 -8.201 -15.828 -18.491 1.00 0.00 H new ATOM 0 HA SER B 9 -7.309 -13.168 -17.657 1.00 0.00 H new ATOM 0 HB2 SER B 9 -8.716 -15.122 -15.795 1.00 0.00 H new ATOM 0 HB3 SER B 9 -7.353 -14.220 -15.164 1.00 0.00 H new ATOM 0 HG SER B 9 -9.179 -12.694 -16.641 1.00 0.00 H new ATOM 630 N TYR B 10 -5.094 -14.224 -17.593 1.00 0.00 N ATOM 631 CA TYR B 10 -3.756 -14.883 -17.610 1.00 0.00 C ATOM 632 C TYR B 10 -2.651 -13.834 -17.458 1.00 0.00 C ATOM 633 O TYR B 10 -1.657 -14.056 -16.797 1.00 0.00 O ATOM 634 CB TYR B 10 -3.667 -15.562 -18.977 1.00 0.00 C ATOM 635 CG TYR B 10 -3.929 -14.544 -20.062 1.00 0.00 C ATOM 636 CD1 TYR B 10 -5.244 -14.165 -20.364 1.00 0.00 C ATOM 637 CD2 TYR B 10 -2.857 -13.978 -20.764 1.00 0.00 C ATOM 638 CE1 TYR B 10 -5.486 -13.221 -21.370 1.00 0.00 C ATOM 639 CE2 TYR B 10 -3.099 -13.034 -21.770 1.00 0.00 C ATOM 640 CZ TYR B 10 -4.414 -12.655 -22.073 1.00 0.00 C ATOM 641 OH TYR B 10 -4.653 -11.724 -23.065 1.00 0.00 O ATOM 0 H TYR B 10 -5.089 -13.227 -17.807 1.00 0.00 H new ATOM 0 HA TYR B 10 -3.634 -15.595 -16.793 1.00 0.00 H new ATOM 0 HB2 TYR B 10 -2.681 -16.006 -19.111 1.00 0.00 H new ATOM 0 HB3 TYR B 10 -4.393 -16.372 -19.041 1.00 0.00 H new ATOM 0 HD1 TYR B 10 -6.070 -14.600 -19.821 1.00 0.00 H new ATOM 0 HD2 TYR B 10 -1.844 -14.270 -20.529 1.00 0.00 H new ATOM 0 HE1 TYR B 10 -6.499 -12.929 -21.604 1.00 0.00 H new ATOM 0 HE2 TYR B 10 -2.273 -12.598 -22.312 1.00 0.00 H new ATOM 0 HH TYR B 10 -3.801 -11.431 -23.451 1.00 0.00 H new ATOM 651 N ASP B 11 -2.819 -12.693 -18.068 1.00 0.00 N ATOM 652 CA ASP B 11 -1.779 -11.630 -17.960 1.00 0.00 C ATOM 653 C ASP B 11 -2.441 -10.262 -17.780 1.00 0.00 C ATOM 654 O ASP B 11 -2.276 -9.371 -18.589 1.00 0.00 O ATOM 655 CB ASP B 11 -1.015 -11.686 -19.283 1.00 0.00 C ATOM 656 CG ASP B 11 0.045 -10.584 -19.309 1.00 0.00 C ATOM 657 OD1 ASP B 11 1.082 -10.773 -18.696 1.00 0.00 O ATOM 658 OD2 ASP B 11 -0.199 -9.570 -19.943 1.00 0.00 O ATOM 0 H ASP B 11 -3.631 -12.450 -18.636 1.00 0.00 H new ATOM 0 HA ASP B 11 -1.121 -11.781 -17.104 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -0.543 -12.661 -19.401 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -1.704 -11.562 -20.118 1.00 0.00 H new ATOM 663 N LEU B 12 -3.190 -10.088 -16.724 1.00 0.00 N ATOM 664 CA LEU B 12 -3.860 -8.781 -16.494 1.00 0.00 C ATOM 665 C LEU B 12 -4.455 -8.733 -15.083 1.00 0.00 C ATOM 666 O LEU B 12 -4.917 -9.727 -14.560 1.00 0.00 O ATOM 667 CB LEU B 12 -4.967 -8.715 -17.545 1.00 0.00 C ATOM 668 CG LEU B 12 -5.756 -7.415 -17.380 1.00 0.00 C ATOM 669 CD1 LEU B 12 -6.453 -7.069 -18.696 1.00 0.00 C ATOM 670 CD2 LEU B 12 -6.805 -7.592 -16.280 1.00 0.00 C ATOM 0 H LEU B 12 -3.365 -10.797 -16.012 1.00 0.00 H new ATOM 0 HA LEU B 12 -3.169 -7.942 -16.576 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -4.536 -8.766 -18.545 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -5.633 -9.572 -17.441 1.00 0.00 H new ATOM 0 HG LEU B 12 -5.074 -6.609 -17.108 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -7.015 -6.143 -18.577 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -5.707 -6.943 -19.481 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -7.135 -7.874 -18.969 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -7.368 -6.666 -16.162 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -7.486 -8.398 -16.553 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -6.309 -7.838 -15.341 1.00 0.00 H new ATOM 682 N GLY B 13 -4.446 -7.584 -14.465 1.00 0.00 N ATOM 683 CA GLY B 13 -5.010 -7.474 -13.089 1.00 0.00 C ATOM 684 C GLY B 13 -5.183 -5.998 -12.726 1.00 0.00 C ATOM 685 O GLY B 13 -6.231 -5.579 -12.274 1.00 0.00 O ATOM 0 H GLY B 13 -4.073 -6.717 -14.852 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -5.970 -7.988 -13.036 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -4.348 -7.961 -12.373 1.00 0.00 H new ATOM 689 N LYS B 14 -4.165 -5.206 -12.923 1.00 0.00 N ATOM 690 CA LYS B 14 -4.273 -3.757 -12.590 1.00 0.00 C ATOM 691 C LYS B 14 -4.309 -2.922 -13.872 1.00 0.00 C ATOM 692 O LYS B 14 -3.953 -3.387 -14.937 1.00 0.00 O ATOM 693 CB LYS B 14 -3.018 -3.441 -11.778 1.00 0.00 C ATOM 694 CG LYS B 14 -3.338 -3.530 -10.285 1.00 0.00 C ATOM 695 CD LYS B 14 -3.003 -4.933 -9.775 1.00 0.00 C ATOM 696 CE LYS B 14 -3.277 -5.010 -8.271 1.00 0.00 C ATOM 697 NZ LYS B 14 -4.667 -5.532 -8.160 1.00 0.00 N ATOM 0 H LYS B 14 -3.264 -5.499 -13.300 1.00 0.00 H new ATOM 0 HA LYS B 14 -5.183 -3.527 -12.036 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -2.222 -4.141 -12.032 1.00 0.00 H new ATOM 0 HB3 LYS B 14 -2.655 -2.443 -12.024 1.00 0.00 H new ATOM 0 HG2 LYS B 14 -2.765 -2.785 -9.734 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -4.392 -3.311 -10.114 1.00 0.00 H new ATOM 0 HD2 LYS B 14 -3.602 -5.676 -10.303 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -1.957 -5.165 -9.977 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -2.566 -5.670 -7.773 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -3.184 -4.030 -7.802 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -4.928 -5.613 -7.157 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -5.322 -4.880 -8.637 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 -4.723 -6.468 -8.609 1.00 0.00 H new ATOM 711 N LYS B 15 -4.734 -1.693 -13.778 1.00 0.00 N ATOM 712 CA LYS B 15 -4.791 -0.829 -14.992 1.00 0.00 C ATOM 713 C LYS B 15 -4.144 0.528 -14.705 1.00 0.00 C ATOM 714 O LYS B 15 -4.009 0.922 -13.564 1.00 0.00 O ATOM 715 CB LYS B 15 -6.282 -0.660 -15.287 1.00 0.00 C ATOM 716 CG LYS B 15 -7.001 -0.177 -14.025 1.00 0.00 C ATOM 717 CD LYS B 15 -8.465 0.121 -14.353 1.00 0.00 C ATOM 718 CE LYS B 15 -9.362 -0.925 -13.686 1.00 0.00 C ATOM 719 NZ LYS B 15 -10.548 -1.038 -14.579 1.00 0.00 N ATOM 0 H LYS B 15 -5.044 -1.249 -12.914 1.00 0.00 H new ATOM 0 HA LYS B 15 -4.255 -1.265 -15.835 1.00 0.00 H new ATOM 0 HB2 LYS B 15 -6.424 0.056 -16.096 1.00 0.00 H new ATOM 0 HB3 LYS B 15 -6.707 -1.607 -15.621 1.00 0.00 H new ATOM 0 HG2 LYS B 15 -6.939 -0.936 -13.246 1.00 0.00 H new ATOM 0 HG3 LYS B 15 -6.515 0.718 -13.637 1.00 0.00 H new ATOM 0 HD2 LYS B 15 -8.731 1.119 -14.004 1.00 0.00 H new ATOM 0 HD3 LYS B 15 -8.616 0.110 -15.432 1.00 0.00 H new ATOM 0 HE2 LYS B 15 -8.848 -1.881 -13.588 1.00 0.00 H new ATOM 0 HE3 LYS B 15 -9.652 -0.615 -12.682 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 -11.211 -1.738 -14.189 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 -11.020 -0.114 -14.647 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 -10.242 -1.341 -15.526 1.00 0.00 H new ATOM 733 N PRO B 16 -3.765 1.197 -15.758 1.00 0.00 N ATOM 734 CA PRO B 16 -3.125 2.528 -15.625 1.00 0.00 C ATOM 735 C PRO B 16 -4.163 3.579 -15.219 1.00 0.00 C ATOM 736 O PRO B 16 -5.351 3.391 -15.388 1.00 0.00 O ATOM 737 CB PRO B 16 -2.589 2.808 -17.027 1.00 0.00 C ATOM 738 CG PRO B 16 -3.446 1.989 -17.940 1.00 0.00 C ATOM 739 CD PRO B 16 -3.898 0.782 -17.159 1.00 0.00 C ATOM 0 HA PRO B 16 -2.347 2.557 -14.862 1.00 0.00 H new ATOM 0 HB2 PRO B 16 -2.655 3.869 -17.270 1.00 0.00 H new ATOM 0 HB3 PRO B 16 -1.540 2.526 -17.112 1.00 0.00 H new ATOM 0 HG2 PRO B 16 -4.303 2.567 -18.286 1.00 0.00 H new ATOM 0 HG3 PRO B 16 -2.887 1.687 -18.826 1.00 0.00 H new ATOM 0 HD2 PRO B 16 -4.926 0.513 -17.400 1.00 0.00 H new ATOM 0 HD3 PRO B 16 -3.281 -0.089 -17.378 1.00 0.00 H new ATOM 747 N ILE B 17 -3.721 4.683 -14.686 1.00 0.00 N ATOM 748 CA ILE B 17 -4.672 5.745 -14.271 1.00 0.00 C ATOM 749 C ILE B 17 -3.955 7.090 -14.201 1.00 0.00 C ATOM 750 O ILE B 17 -3.831 7.681 -13.153 1.00 0.00 O ATOM 751 CB ILE B 17 -5.168 5.320 -12.889 1.00 0.00 C ATOM 752 CG1 ILE B 17 -3.982 4.908 -12.016 1.00 0.00 C ATOM 753 CG2 ILE B 17 -6.128 4.137 -13.030 1.00 0.00 C ATOM 754 CD1 ILE B 17 -4.432 4.791 -10.559 1.00 0.00 C ATOM 0 H ILE B 17 -2.737 4.894 -14.520 1.00 0.00 H new ATOM 0 HA ILE B 17 -5.496 5.862 -14.974 1.00 0.00 H new ATOM 0 HB ILE B 17 -5.686 6.158 -12.423 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -3.578 3.956 -12.360 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -3.182 5.643 -12.102 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -6.481 3.835 -12.044 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -6.978 4.430 -13.646 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -5.610 3.302 -13.501 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -3.585 4.497 -9.939 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -4.815 5.753 -10.218 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -5.217 4.039 -10.480 1.00 0.00 H new ATOM 766 N TYR B 18 -3.479 7.577 -15.312 1.00 0.00 N ATOM 767 CA TYR B 18 -2.767 8.887 -15.306 1.00 0.00 C ATOM 768 C TYR B 18 -3.776 10.039 -15.275 1.00 0.00 C ATOM 769 O TYR B 18 -4.347 10.401 -16.283 1.00 0.00 O ATOM 770 CB TYR B 18 -1.976 8.907 -16.615 1.00 0.00 C ATOM 771 CG TYR B 18 -0.594 9.457 -16.364 1.00 0.00 C ATOM 772 CD1 TYR B 18 0.418 8.614 -15.887 1.00 0.00 C ATOM 773 CD2 TYR B 18 -0.321 10.809 -16.608 1.00 0.00 C ATOM 774 CE1 TYR B 18 1.701 9.123 -15.655 1.00 0.00 C ATOM 775 CE2 TYR B 18 0.963 11.319 -16.375 1.00 0.00 C ATOM 776 CZ TYR B 18 1.975 10.475 -15.898 1.00 0.00 C ATOM 777 OH TYR B 18 3.241 10.975 -15.670 1.00 0.00 O ATOM 0 H TYR B 18 -3.551 7.126 -16.224 1.00 0.00 H new ATOM 0 HA TYR B 18 -2.124 9.005 -14.434 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -1.908 7.900 -17.026 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -2.493 9.519 -17.354 1.00 0.00 H new ATOM 0 HD1 TYR B 18 0.208 7.572 -15.698 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -1.101 11.459 -16.976 1.00 0.00 H new ATOM 0 HE1 TYR B 18 2.481 8.472 -15.288 1.00 0.00 H new ATOM 0 HE2 TYR B 18 1.173 12.362 -16.563 1.00 0.00 H new ATOM 0 HH TYR B 18 3.196 11.683 -14.994 1.00 0.00 H new ATOM 787 N LYS B 19 -4.001 10.620 -14.126 1.00 0.00 N ATOM 788 CA LYS B 19 -4.974 11.749 -14.041 1.00 0.00 C ATOM 789 C LYS B 19 -4.907 12.412 -12.662 1.00 0.00 C ATOM 790 O LYS B 19 -5.868 12.415 -11.919 1.00 0.00 O ATOM 791 CB LYS B 19 -6.345 11.106 -14.259 1.00 0.00 C ATOM 792 CG LYS B 19 -7.222 12.045 -15.088 1.00 0.00 C ATOM 793 CD LYS B 19 -8.281 12.684 -14.188 1.00 0.00 C ATOM 794 CE LYS B 19 -9.460 13.156 -15.041 1.00 0.00 C ATOM 795 NZ LYS B 19 -10.006 14.341 -14.323 1.00 0.00 N ATOM 0 H LYS B 19 -3.555 10.363 -13.245 1.00 0.00 H new ATOM 0 HA LYS B 19 -4.764 12.527 -14.775 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -6.233 10.150 -14.770 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -6.819 10.901 -13.299 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -6.609 12.818 -15.551 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -7.702 11.493 -15.896 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -8.622 11.965 -13.443 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -7.852 13.526 -13.645 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -9.138 13.419 -16.048 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -10.213 12.374 -15.141 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -10.819 14.721 -14.848 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -10.311 14.059 -13.370 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -9.270 15.072 -14.249 1.00 0.00 H new ATOM 809 N LYS B 20 -3.781 12.974 -12.318 1.00 0.00 N ATOM 810 CA LYS B 20 -3.657 13.637 -10.986 1.00 0.00 C ATOM 811 C LYS B 20 -4.209 15.064 -11.047 1.00 0.00 C ATOM 812 O LYS B 20 -4.628 15.533 -12.086 1.00 0.00 O ATOM 813 CB LYS B 20 -2.156 13.655 -10.693 1.00 0.00 C ATOM 814 CG LYS B 20 -1.932 13.835 -9.191 1.00 0.00 C ATOM 815 CD LYS B 20 -0.895 12.820 -8.704 1.00 0.00 C ATOM 816 CE LYS B 20 -0.478 13.163 -7.271 1.00 0.00 C ATOM 817 NZ LYS B 20 0.558 12.153 -6.922 1.00 0.00 N ATOM 0 H LYS B 20 -2.943 13.004 -12.899 1.00 0.00 H new ATOM 0 HA LYS B 20 -4.219 13.115 -10.212 1.00 0.00 H new ATOM 0 HB2 LYS B 20 -1.697 12.726 -11.031 1.00 0.00 H new ATOM 0 HB3 LYS B 20 -1.677 14.465 -11.243 1.00 0.00 H new ATOM 0 HG2 LYS B 20 -1.590 14.849 -8.983 1.00 0.00 H new ATOM 0 HG3 LYS B 20 -2.870 13.698 -8.654 1.00 0.00 H new ATOM 0 HD2 LYS B 20 -1.310 11.813 -8.742 1.00 0.00 H new ATOM 0 HD3 LYS B 20 -0.024 12.831 -9.360 1.00 0.00 H new ATOM 0 HE2 LYS B 20 -0.080 14.176 -7.207 1.00 0.00 H new ATOM 0 HE3 LYS B 20 -1.327 13.110 -6.589 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 0.894 12.322 -5.952 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 0.148 11.199 -6.985 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 1.356 12.232 -7.584 1.00 0.00 H new ATOM 831 N ALA B 21 -4.213 15.756 -9.941 1.00 0.00 N ATOM 832 CA ALA B 21 -4.739 17.153 -9.935 1.00 0.00 C ATOM 833 C ALA B 21 -3.842 18.055 -9.083 1.00 0.00 C ATOM 834 O ALA B 21 -4.300 18.682 -8.149 1.00 0.00 O ATOM 835 CB ALA B 21 -6.134 17.047 -9.317 1.00 0.00 C ATOM 0 H ALA B 21 -3.875 15.416 -9.041 1.00 0.00 H new ATOM 0 HA ALA B 21 -4.766 17.588 -10.934 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -6.590 18.036 -9.277 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -6.752 16.387 -9.925 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -6.055 16.642 -8.308 1.00 0.00 H new ATOM 841 N PRO B 22 -2.587 18.089 -9.440 1.00 0.00 N ATOM 842 CA PRO B 22 -1.606 18.923 -8.704 1.00 0.00 C ATOM 843 C PRO B 22 -1.815 20.404 -9.035 1.00 0.00 C ATOM 844 O PRO B 22 -2.854 20.801 -9.523 1.00 0.00 O ATOM 845 CB PRO B 22 -0.258 18.434 -9.225 1.00 0.00 C ATOM 846 CG PRO B 22 -0.548 17.862 -10.576 1.00 0.00 C ATOM 847 CD PRO B 22 -1.969 17.360 -10.553 1.00 0.00 C ATOM 0 HA PRO B 22 -1.694 18.837 -7.621 1.00 0.00 H new ATOM 0 HB2 PRO B 22 0.460 19.251 -9.289 1.00 0.00 H new ATOM 0 HB3 PRO B 22 0.172 17.683 -8.563 1.00 0.00 H new ATOM 0 HG2 PRO B 22 -0.420 18.619 -11.350 1.00 0.00 H new ATOM 0 HG3 PRO B 22 0.143 17.051 -10.807 1.00 0.00 H new ATOM 0 HD2 PRO B 22 -2.479 17.563 -11.495 1.00 0.00 H new ATOM 0 HD3 PRO B 22 -2.009 16.282 -10.395 1.00 0.00 H new ATOM 855 N THR B 23 -0.834 21.224 -8.774 1.00 0.00 N ATOM 856 CA THR B 23 -0.977 22.677 -9.076 1.00 0.00 C ATOM 857 C THR B 23 -0.042 23.073 -10.222 1.00 0.00 C ATOM 858 O THR B 23 0.668 22.250 -10.767 1.00 0.00 O ATOM 859 CB THR B 23 -0.574 23.392 -7.785 1.00 0.00 C ATOM 860 OG1 THR B 23 0.767 23.057 -7.459 1.00 0.00 O ATOM 861 CG2 THR B 23 -1.502 22.958 -6.648 1.00 0.00 C ATOM 0 H THR B 23 0.060 20.951 -8.365 1.00 0.00 H new ATOM 0 HA THR B 23 -1.989 22.936 -9.387 1.00 0.00 H new ATOM 0 HB THR B 23 -0.655 24.470 -7.925 1.00 0.00 H new ATOM 0 HG1 THR B 23 1.320 23.866 -7.478 1.00 0.00 H new ATOM 0 HG21 THR B 23 -1.214 23.468 -5.729 1.00 0.00 H new ATOM 0 HG22 THR B 23 -2.531 23.216 -6.899 1.00 0.00 H new ATOM 0 HG23 THR B 23 -1.423 21.880 -6.505 1.00 0.00 H new ATOM 869 N ASN B 24 -0.034 24.325 -10.589 1.00 0.00 N ATOM 870 CA ASN B 24 0.858 24.768 -11.697 1.00 0.00 C ATOM 871 C ASN B 24 2.230 25.160 -11.143 1.00 0.00 C ATOM 872 O ASN B 24 2.485 26.310 -10.843 1.00 0.00 O ATOM 873 CB ASN B 24 0.158 25.983 -12.308 1.00 0.00 C ATOM 874 CG ASN B 24 0.501 26.073 -13.796 1.00 0.00 C ATOM 875 OD1 ASN B 24 1.148 25.199 -14.336 1.00 0.00 O ATOM 876 ND2 ASN B 24 0.089 27.102 -14.486 1.00 0.00 N ATOM 0 H ASN B 24 -0.605 25.059 -10.170 1.00 0.00 H new ATOM 0 HA ASN B 24 1.025 23.982 -12.434 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -0.921 25.899 -12.177 1.00 0.00 H new ATOM 0 HB3 ASN B 24 0.471 26.893 -11.796 1.00 0.00 H new ATOM 0 HD21 ASN B 24 0.311 27.172 -15.479 1.00 0.00 H new ATOM 0 HD22 ASN B 24 -0.455 27.836 -14.032 1.00 0.00 H new ATOM 883 N GLU B 25 3.116 24.212 -11.003 1.00 0.00 N ATOM 884 CA GLU B 25 4.470 24.531 -10.465 1.00 0.00 C ATOM 885 C GLU B 25 5.471 23.450 -10.878 1.00 0.00 C ATOM 886 O GLU B 25 5.108 22.318 -11.134 1.00 0.00 O ATOM 887 CB GLU B 25 4.297 24.548 -8.946 1.00 0.00 C ATOM 888 CG GLU B 25 4.518 25.969 -8.423 1.00 0.00 C ATOM 889 CD GLU B 25 3.172 26.593 -8.056 1.00 0.00 C ATOM 890 OE1 GLU B 25 2.330 25.877 -7.536 1.00 0.00 O ATOM 891 OE2 GLU B 25 3.003 27.777 -8.299 1.00 0.00 O ATOM 0 H GLU B 25 2.962 23.231 -11.237 1.00 0.00 H new ATOM 0 HA GLU B 25 4.852 25.479 -10.843 1.00 0.00 H new ATOM 0 HB2 GLU B 25 3.298 24.202 -8.679 1.00 0.00 H new ATOM 0 HB3 GLU B 25 5.006 23.863 -8.481 1.00 0.00 H new ATOM 0 HG2 GLU B 25 5.171 25.949 -7.551 1.00 0.00 H new ATOM 0 HG3 GLU B 25 5.016 26.573 -9.181 1.00 0.00 H new ATOM 898 N PHE B 26 6.731 23.787 -10.942 1.00 0.00 N ATOM 899 CA PHE B 26 7.754 22.776 -11.335 1.00 0.00 C ATOM 900 C PHE B 26 8.055 21.846 -10.157 1.00 0.00 C ATOM 901 O PHE B 26 8.040 20.639 -10.288 1.00 0.00 O ATOM 902 CB PHE B 26 8.994 23.589 -11.704 1.00 0.00 C ATOM 903 CG PHE B 26 8.814 24.186 -13.079 1.00 0.00 C ATOM 904 CD1 PHE B 26 8.723 23.350 -14.199 1.00 0.00 C ATOM 905 CD2 PHE B 26 8.741 25.577 -13.235 1.00 0.00 C ATOM 906 CE1 PHE B 26 8.557 23.904 -15.476 1.00 0.00 C ATOM 907 CE2 PHE B 26 8.575 26.131 -14.512 1.00 0.00 C ATOM 908 CZ PHE B 26 8.482 25.294 -15.632 1.00 0.00 C ATOM 0 H PHE B 26 7.096 24.718 -10.739 1.00 0.00 H new ATOM 0 HA PHE B 26 7.418 22.148 -12.160 1.00 0.00 H new ATOM 0 HB2 PHE B 26 9.155 24.379 -10.971 1.00 0.00 H new ATOM 0 HB3 PHE B 26 9.878 22.952 -11.685 1.00 0.00 H new ATOM 0 HD1 PHE B 26 8.781 22.278 -14.079 1.00 0.00 H new ATOM 0 HD2 PHE B 26 8.813 26.222 -12.372 1.00 0.00 H new ATOM 0 HE1 PHE B 26 8.487 23.259 -16.339 1.00 0.00 H new ATOM 0 HE2 PHE B 26 8.519 27.203 -14.633 1.00 0.00 H new ATOM 0 HZ PHE B 26 8.352 25.721 -16.616 1.00 0.00 H new ATOM 918 N TYR B 27 8.326 22.401 -9.007 1.00 0.00 N ATOM 919 CA TYR B 27 8.628 21.549 -7.822 1.00 0.00 C ATOM 920 C TYR B 27 7.646 21.855 -6.688 1.00 0.00 C ATOM 921 O TYR B 27 7.456 22.993 -6.308 1.00 0.00 O ATOM 922 CB TYR B 27 10.053 21.926 -7.416 1.00 0.00 C ATOM 923 CG TYR B 27 11.025 20.948 -8.030 1.00 0.00 C ATOM 924 CD1 TYR B 27 10.986 19.597 -7.663 1.00 0.00 C ATOM 925 CD2 TYR B 27 11.967 21.392 -8.968 1.00 0.00 C ATOM 926 CE1 TYR B 27 11.888 18.689 -8.233 1.00 0.00 C ATOM 927 CE2 TYR B 27 12.868 20.484 -9.539 1.00 0.00 C ATOM 928 CZ TYR B 27 12.829 19.133 -9.171 1.00 0.00 C ATOM 929 OH TYR B 27 13.718 18.238 -9.732 1.00 0.00 O ATOM 0 H TYR B 27 8.351 23.406 -8.837 1.00 0.00 H new ATOM 0 HA TYR B 27 8.536 20.486 -8.043 1.00 0.00 H new ATOM 0 HB2 TYR B 27 10.281 22.939 -7.747 1.00 0.00 H new ATOM 0 HB3 TYR B 27 10.148 21.917 -6.330 1.00 0.00 H new ATOM 0 HD1 TYR B 27 10.260 19.255 -6.940 1.00 0.00 H new ATOM 0 HD2 TYR B 27 11.998 22.434 -9.251 1.00 0.00 H new ATOM 0 HE1 TYR B 27 11.858 17.647 -7.949 1.00 0.00 H new ATOM 0 HE2 TYR B 27 13.593 20.826 -10.263 1.00 0.00 H new ATOM 0 HH TYR B 27 14.301 18.709 -10.363 1.00 0.00 H new ATOM 939 N ALA B 28 7.021 20.847 -6.144 1.00 0.00 N ATOM 940 CA ALA B 28 6.052 21.081 -5.035 1.00 0.00 C ATOM 941 C ALA B 28 6.780 21.088 -3.688 1.00 0.00 C ATOM 942 O ALA B 28 7.573 20.190 -3.461 1.00 0.00 O ATOM 943 CB ALA B 28 5.075 19.907 -5.110 1.00 0.00 C ATOM 944 OXT ALA B 28 6.529 21.992 -2.907 1.00 0.00 O ATOM 0 H ALA B 28 7.139 19.872 -6.419 1.00 0.00 H new ATOM 0 HA ALA B 28 5.544 22.041 -5.126 1.00 0.00 H new ATOM 0 HB1 ALA B 28 4.327 20.005 -4.323 1.00 0.00 H new ATOM 0 HB2 ALA B 28 4.582 19.906 -6.082 1.00 0.00 H new ATOM 0 HB3 ALA B 28 5.619 18.972 -4.978 1.00 0.00 H new TER 950 ALA B 28