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+ 149:sc= 0.0291 (180deg=0) USER MOD Single : A 2 MET CE :methyl 151:sc= -0.0678 (180deg=-0.559) 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 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.057 K(o=-0.057,f=-1.8!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 ARG N :NH3+ 146:sc= 0.0306 (180deg=0) USER MOD Single : B 2 MET CE :methyl -120:sc= -0.0482 (180deg=-0.568) 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 180:sc= 0 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 -65:sc= 0.00364 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 180:sc= 0 USER MOD Single : B 24 ASN : amide:sc= -0.0473 K(o=-0.047,f=-2!) USER MOD Single : B 27 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -1.876 -26.111 -31.031 1.00 0.00 N ATOM 2 CA ARG A 1 -2.110 -26.389 -29.585 1.00 0.00 C ATOM 3 C ARG A 1 -1.053 -25.681 -28.733 1.00 0.00 C ATOM 4 O ARG A 1 0.066 -25.477 -29.158 1.00 0.00 O ATOM 5 CB ARG A 1 -1.979 -27.907 -29.447 1.00 0.00 C ATOM 6 CG ARG A 1 -3.356 -28.553 -29.598 1.00 0.00 C ATOM 7 CD ARG A 1 -3.897 -28.934 -28.217 1.00 0.00 C ATOM 8 NE ARG A 1 -5.359 -28.665 -28.289 1.00 0.00 N ATOM 9 CZ ARG A 1 -5.892 -27.746 -27.531 1.00 0.00 C ATOM 10 NH1 ARG A 1 -5.393 -26.541 -27.517 1.00 0.00 N ATOM 11 NH2 ARG A 1 -6.924 -28.034 -26.787 1.00 0.00 N ATOM 0 H1 ARG A 1 -2.191 -26.925 -31.596 1.00 0.00 H new ATOM 0 H2 ARG A 1 -2.412 -25.265 -31.313 1.00 0.00 H new ATOM 0 H3 ARG A 1 -0.862 -25.948 -31.194 1.00 0.00 H new ATOM 0 HA ARG A 1 -3.083 -26.031 -29.248 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -1.299 -28.294 -30.205 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -1.552 -28.159 -28.477 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -4.041 -27.863 -30.091 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -3.286 -29.438 -30.230 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -3.699 -29.982 -27.991 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -3.425 -28.344 -27.432 1.00 0.00 H new ATOM 0 HE ARG A 1 -5.945 -29.199 -28.931 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -4.586 -26.316 -28.099 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -5.810 -25.823 -26.924 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -7.314 -28.977 -26.798 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -7.341 -27.317 -26.194 1.00 0.00 H new ATOM 27 N MET A 2 -1.399 -25.306 -27.532 1.00 0.00 N ATOM 28 CA MET A 2 -0.414 -24.613 -26.655 1.00 0.00 C ATOM 29 C MET A 2 0.358 -25.636 -25.819 1.00 0.00 C ATOM 30 O MET A 2 1.518 -25.451 -25.509 1.00 0.00 O ATOM 31 CB MET A 2 -1.253 -23.709 -25.752 1.00 0.00 C ATOM 32 CG MET A 2 -0.356 -22.645 -25.118 1.00 0.00 C ATOM 33 SD MET A 2 0.185 -21.475 -26.388 1.00 0.00 S ATOM 34 CE MET A 2 -1.361 -20.544 -26.512 1.00 0.00 C ATOM 0 H MET A 2 -2.321 -25.450 -27.120 1.00 0.00 H new ATOM 0 HA MET A 2 0.322 -24.047 -27.227 1.00 0.00 H new ATOM 0 HB2 MET A 2 -2.045 -23.234 -26.331 1.00 0.00 H new ATOM 0 HB3 MET A 2 -1.737 -24.301 -24.975 1.00 0.00 H new ATOM 0 HG2 MET A 2 -0.898 -22.119 -24.332 1.00 0.00 H new ATOM 0 HG3 MET A 2 0.509 -23.115 -24.650 1.00 0.00 H new ATOM 0 HE1 MET A 2 -1.145 -19.518 -26.810 1.00 0.00 H new ATOM 0 HE2 MET A 2 -2.007 -21.010 -27.256 1.00 0.00 H new ATOM 0 HE3 MET A 2 -1.863 -20.543 -25.545 1.00 0.00 H new ATOM 44 N LYS A 3 -0.278 -26.715 -25.449 1.00 0.00 N ATOM 45 CA LYS A 3 0.419 -27.749 -24.632 1.00 0.00 C ATOM 46 C LYS A 3 1.117 -27.094 -23.437 1.00 0.00 C ATOM 47 O LYS A 3 2.311 -26.873 -23.447 1.00 0.00 O ATOM 48 CB LYS A 3 1.444 -28.376 -25.577 1.00 0.00 C ATOM 49 CG LYS A 3 0.732 -29.327 -26.541 1.00 0.00 C ATOM 50 CD LYS A 3 1.765 -30.042 -27.414 1.00 0.00 C ATOM 51 CE LYS A 3 1.111 -30.473 -28.730 1.00 0.00 C ATOM 52 NZ LYS A 3 2.097 -31.388 -29.369 1.00 0.00 N ATOM 0 H LYS A 3 -1.250 -26.925 -25.677 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.269 -28.492 -24.229 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.964 -27.598 -26.135 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.198 -28.917 -25.006 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.146 -30.057 -25.982 1.00 0.00 H new ATOM 0 HG3 LYS A 3 0.034 -28.771 -27.167 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.608 -29.381 -27.614 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.160 -30.912 -26.890 1.00 0.00 H new ATOM 0 HE2 LYS A 3 0.162 -30.978 -28.552 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.900 -29.613 -29.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.719 -31.725 -30.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.989 -30.878 -29.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.273 -32.200 -28.744 1.00 0.00 H new ATOM 66 N LYS A 4 0.379 -26.782 -22.407 1.00 0.00 N ATOM 67 CA LYS A 4 0.999 -26.140 -21.213 1.00 0.00 C ATOM 68 C LYS A 4 0.511 -26.823 -19.932 1.00 0.00 C ATOM 69 O LYS A 4 -0.649 -27.161 -19.800 1.00 0.00 O ATOM 70 CB LYS A 4 0.530 -24.685 -21.257 1.00 0.00 C ATOM 71 CG LYS A 4 1.545 -23.799 -20.532 1.00 0.00 C ATOM 72 CD LYS A 4 0.971 -22.391 -20.372 1.00 0.00 C ATOM 73 CE LYS A 4 1.434 -21.515 -21.538 1.00 0.00 C ATOM 74 NZ LYS A 4 1.307 -20.117 -21.040 1.00 0.00 N ATOM 0 H LYS A 4 -0.626 -26.944 -22.340 1.00 0.00 H new ATOM 0 HA LYS A 4 2.086 -26.218 -21.220 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.420 -24.359 -22.291 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -0.449 -24.593 -20.788 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.779 -24.221 -19.555 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.478 -23.761 -21.095 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -0.118 -22.432 -20.344 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.298 -21.959 -19.426 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.462 -21.742 -21.819 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.818 -21.677 -22.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.607 -19.455 -21.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.316 -19.928 -20.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.909 -19.991 -20.202 1.00 0.00 H new ATOM 88 N LYS A 5 1.387 -27.031 -18.989 1.00 0.00 N ATOM 89 CA LYS A 5 0.971 -27.693 -17.718 1.00 0.00 C ATOM 90 C LYS A 5 1.480 -26.894 -16.516 1.00 0.00 C ATOM 91 O LYS A 5 2.655 -26.901 -16.207 1.00 0.00 O ATOM 92 CB LYS A 5 1.625 -29.075 -17.759 1.00 0.00 C ATOM 93 CG LYS A 5 0.563 -30.150 -17.525 1.00 0.00 C ATOM 94 CD LYS A 5 1.091 -31.501 -18.013 1.00 0.00 C ATOM 95 CE LYS A 5 0.857 -32.562 -16.935 1.00 0.00 C ATOM 96 NZ LYS A 5 2.153 -33.289 -16.824 1.00 0.00 N ATOM 0 H LYS A 5 2.372 -26.772 -19.042 1.00 0.00 H new ATOM 0 HA LYS A 5 -0.113 -27.758 -17.621 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.109 -29.231 -18.723 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.402 -29.144 -16.997 1.00 0.00 H new ATOM 0 HG2 LYS A 5 0.314 -30.206 -16.465 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -0.354 -29.892 -18.055 1.00 0.00 H new ATOM 0 HD2 LYS A 5 0.587 -31.788 -18.936 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.154 -31.427 -18.240 1.00 0.00 H new ATOM 0 HE2 LYS A 5 0.578 -32.105 -15.985 1.00 0.00 H new ATOM 0 HE3 LYS A 5 0.048 -33.237 -17.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 2.072 -34.034 -16.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 2.390 -33.719 -17.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 2.903 -32.622 -16.550 1.00 0.00 H new ATOM 110 N ASP A 6 0.605 -26.206 -15.835 1.00 0.00 N ATOM 111 CA ASP A 6 1.043 -25.409 -14.654 1.00 0.00 C ATOM 112 C ASP A 6 -0.037 -25.428 -13.569 1.00 0.00 C ATOM 113 O ASP A 6 -0.961 -26.216 -13.612 1.00 0.00 O ATOM 114 CB ASP A 6 1.240 -23.989 -15.187 1.00 0.00 C ATOM 115 CG ASP A 6 2.681 -23.542 -14.933 1.00 0.00 C ATOM 116 OD1 ASP A 6 3.582 -24.264 -15.329 1.00 0.00 O ATOM 117 OD2 ASP A 6 2.860 -22.487 -14.349 1.00 0.00 O ATOM 0 H ASP A 6 -0.392 -26.161 -16.045 1.00 0.00 H new ATOM 0 HA ASP A 6 1.952 -25.807 -14.203 1.00 0.00 H new ATOM 0 HB2 ASP A 6 1.021 -23.956 -16.254 1.00 0.00 H new ATOM 0 HB3 ASP A 6 0.545 -23.306 -14.698 1.00 0.00 H new ATOM 122 N GLU A 7 0.074 -24.565 -12.597 1.00 0.00 N ATOM 123 CA GLU A 7 -0.942 -24.530 -11.509 1.00 0.00 C ATOM 124 C GLU A 7 -1.554 -23.133 -11.405 1.00 0.00 C ATOM 125 O GLU A 7 -2.562 -22.836 -12.015 1.00 0.00 O ATOM 126 CB GLU A 7 -0.171 -24.875 -10.234 1.00 0.00 C ATOM 127 CG GLU A 7 0.105 -26.380 -10.196 1.00 0.00 C ATOM 128 CD GLU A 7 1.551 -26.624 -9.756 1.00 0.00 C ATOM 129 OE1 GLU A 7 2.445 -26.168 -10.449 1.00 0.00 O ATOM 130 OE2 GLU A 7 1.738 -27.263 -8.734 1.00 0.00 O ATOM 0 H GLU A 7 0.826 -23.882 -12.510 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.763 -25.224 -11.688 1.00 0.00 H new ATOM 0 HB2 GLU A 7 0.767 -24.321 -10.203 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.746 -24.578 -9.357 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -0.583 -26.869 -9.507 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -0.065 -26.817 -11.180 1.00 0.00 H new ATOM 137 N GLY A 8 -0.949 -22.276 -10.637 1.00 0.00 N ATOM 138 CA GLY A 8 -1.485 -20.893 -10.488 1.00 0.00 C ATOM 139 C GLY A 8 -0.738 -19.947 -11.430 1.00 0.00 C ATOM 140 O GLY A 8 0.421 -19.641 -11.226 1.00 0.00 O ATOM 0 H GLY A 8 -0.103 -22.472 -10.103 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.551 -20.879 -10.714 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.373 -20.558 -9.457 1.00 0.00 H new ATOM 144 N SER A 9 -1.390 -19.482 -12.460 1.00 0.00 N ATOM 145 CA SER A 9 -0.715 -18.555 -13.415 1.00 0.00 C ATOM 146 C SER A 9 -1.172 -17.114 -13.168 1.00 0.00 C ATOM 147 O SER A 9 -2.063 -16.862 -12.381 1.00 0.00 O ATOM 148 CB SER A 9 -1.154 -19.024 -14.802 1.00 0.00 C ATOM 149 OG SER A 9 -0.322 -20.099 -15.219 1.00 0.00 O ATOM 0 H SER A 9 -2.361 -19.703 -12.682 1.00 0.00 H new ATOM 0 HA SER A 9 0.369 -18.568 -13.304 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.196 -19.343 -14.778 1.00 0.00 H new ATOM 0 HB3 SER A 9 -1.089 -18.201 -15.514 1.00 0.00 H new ATOM 0 HG SER A 9 -0.602 -20.404 -16.107 1.00 0.00 H new ATOM 155 N TYR A 10 -0.570 -16.167 -13.835 1.00 0.00 N ATOM 156 CA TYR A 10 -0.971 -14.744 -13.639 1.00 0.00 C ATOM 157 C TYR A 10 -0.380 -13.871 -14.750 1.00 0.00 C ATOM 158 O TYR A 10 0.633 -14.197 -15.336 1.00 0.00 O ATOM 159 CB TYR A 10 -0.387 -14.353 -12.280 1.00 0.00 C ATOM 160 CG TYR A 10 1.116 -14.497 -12.318 1.00 0.00 C ATOM 161 CD1 TYR A 10 1.710 -15.724 -11.993 1.00 0.00 C ATOM 162 CD2 TYR A 10 1.917 -13.406 -12.678 1.00 0.00 C ATOM 163 CE1 TYR A 10 3.104 -15.859 -12.028 1.00 0.00 C ATOM 164 CE2 TYR A 10 3.310 -13.540 -12.713 1.00 0.00 C ATOM 165 CZ TYR A 10 3.905 -14.767 -12.389 1.00 0.00 C ATOM 166 OH TYR A 10 5.279 -14.900 -12.425 1.00 0.00 O ATOM 0 H TYR A 10 0.182 -16.317 -14.507 1.00 0.00 H new ATOM 0 HA TYR A 10 -2.052 -14.610 -13.672 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -0.659 -13.326 -12.037 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -0.804 -14.986 -11.497 1.00 0.00 H new ATOM 0 HD1 TYR A 10 1.093 -16.566 -11.715 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.460 -12.460 -12.929 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.561 -16.805 -11.777 1.00 0.00 H new ATOM 0 HE2 TYR A 10 3.927 -12.698 -12.990 1.00 0.00 H new ATOM 0 HH TYR A 10 5.683 -14.049 -12.695 1.00 0.00 H new ATOM 176 N ASP A 11 -1.006 -12.763 -15.046 1.00 0.00 N ATOM 177 CA ASP A 11 -0.477 -11.874 -16.121 1.00 0.00 C ATOM 178 C ASP A 11 -0.739 -10.405 -15.773 1.00 0.00 C ATOM 179 O ASP A 11 -1.351 -9.678 -16.530 1.00 0.00 O ATOM 180 CB ASP A 11 -1.248 -12.275 -17.379 1.00 0.00 C ATOM 181 CG ASP A 11 -0.473 -11.828 -18.620 1.00 0.00 C ATOM 182 OD1 ASP A 11 -0.491 -10.644 -18.911 1.00 0.00 O ATOM 183 OD2 ASP A 11 0.126 -12.679 -19.257 1.00 0.00 O ATOM 0 H ASP A 11 -1.858 -12.436 -14.591 1.00 0.00 H new ATOM 0 HA ASP A 11 0.600 -11.979 -16.252 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.395 -13.355 -17.399 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.238 -11.819 -17.372 1.00 0.00 H new ATOM 188 N LEU A 12 -0.281 -9.963 -14.634 1.00 0.00 N ATOM 189 CA LEU A 12 -0.504 -8.545 -14.241 1.00 0.00 C ATOM 190 C LEU A 12 0.351 -7.616 -15.107 1.00 0.00 C ATOM 191 O LEU A 12 1.174 -6.872 -14.611 1.00 0.00 O ATOM 192 CB LEU A 12 -0.070 -8.465 -12.777 1.00 0.00 C ATOM 193 CG LEU A 12 -1.213 -8.938 -11.879 1.00 0.00 C ATOM 194 CD1 LEU A 12 -1.391 -10.449 -12.032 1.00 0.00 C ATOM 195 CD2 LEU A 12 -0.886 -8.608 -10.421 1.00 0.00 C ATOM 0 H LEU A 12 0.238 -10.524 -13.959 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.541 -8.238 -14.375 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.813 -9.082 -12.614 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.206 -7.441 -12.524 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.135 -8.433 -12.168 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.206 -10.786 -11.392 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.624 -10.685 -13.070 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.470 -10.955 -11.743 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.701 -8.945 -9.780 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.036 -9.113 -10.132 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.760 -7.531 -10.311 1.00 0.00 H new ATOM 207 N GLY A 13 0.164 -7.654 -16.397 1.00 0.00 N ATOM 208 CA GLY A 13 0.967 -6.773 -17.293 1.00 0.00 C ATOM 209 C GLY A 13 0.488 -5.327 -17.156 1.00 0.00 C ATOM 210 O GLY A 13 1.208 -4.394 -17.451 1.00 0.00 O ATOM 0 H GLY A 13 -0.510 -8.256 -16.870 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.024 -6.842 -17.036 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.868 -7.103 -18.327 1.00 0.00 H new ATOM 214 N LYS A 14 -0.723 -5.132 -16.709 1.00 0.00 N ATOM 215 CA LYS A 14 -1.247 -3.746 -16.553 1.00 0.00 C ATOM 216 C LYS A 14 -0.694 -3.111 -15.274 1.00 0.00 C ATOM 217 O LYS A 14 -0.337 -3.794 -14.335 1.00 0.00 O ATOM 218 CB LYS A 14 -2.764 -3.904 -16.462 1.00 0.00 C ATOM 219 CG LYS A 14 -3.307 -4.415 -17.798 1.00 0.00 C ATOM 220 CD LYS A 14 -4.614 -3.692 -18.129 1.00 0.00 C ATOM 221 CE LYS A 14 -4.313 -2.449 -18.970 1.00 0.00 C ATOM 222 NZ LYS A 14 -5.160 -2.595 -20.186 1.00 0.00 N ATOM 0 H LYS A 14 -1.372 -5.873 -16.445 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.954 -3.099 -17.379 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.020 -4.600 -15.663 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.225 -2.949 -16.212 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.576 -4.246 -18.588 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.477 -5.490 -17.746 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.283 -4.359 -18.673 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.127 -3.407 -17.210 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.556 -1.536 -18.427 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.256 -2.394 -19.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.010 -1.780 -20.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.902 -3.469 -20.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.161 -2.638 -19.908 1.00 0.00 H new ATOM 236 N LYS A 15 -0.623 -1.808 -15.230 1.00 0.00 N ATOM 237 CA LYS A 15 -0.095 -1.130 -14.012 1.00 0.00 C ATOM 238 C LYS A 15 -0.673 0.283 -13.903 1.00 0.00 C ATOM 239 O LYS A 15 -0.889 0.943 -14.899 1.00 0.00 O ATOM 240 CB LYS A 15 1.420 -1.073 -14.214 1.00 0.00 C ATOM 241 CG LYS A 15 2.059 -2.339 -13.641 1.00 0.00 C ATOM 242 CD LYS A 15 3.543 -2.086 -13.377 1.00 0.00 C ATOM 243 CE LYS A 15 3.919 -2.643 -12.002 1.00 0.00 C ATOM 244 NZ LYS A 15 4.071 -1.444 -11.131 1.00 0.00 N ATOM 0 H LYS A 15 -0.908 -1.184 -15.985 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.365 -1.657 -13.097 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.653 -0.983 -15.275 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.830 -0.191 -13.722 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.558 -2.626 -12.716 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.939 -3.168 -14.339 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.147 -2.560 -14.151 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.754 -1.017 -13.418 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.147 -3.312 -11.622 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.844 -3.218 -12.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 4.329 -1.744 -10.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.817 -0.829 -11.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.173 -0.921 -11.101 1.00 0.00 H new ATOM 258 N PRO A 16 -0.906 0.698 -12.687 1.00 0.00 N ATOM 259 CA PRO A 16 -1.468 2.047 -12.436 1.00 0.00 C ATOM 260 C PRO A 16 -0.416 3.125 -12.701 1.00 0.00 C ATOM 261 O PRO A 16 0.771 2.871 -12.673 1.00 0.00 O ATOM 262 CB PRO A 16 -1.847 2.007 -10.958 1.00 0.00 C ATOM 263 CG PRO A 16 -0.964 0.959 -10.359 1.00 0.00 C ATOM 264 CD PRO A 16 -0.666 -0.043 -11.445 1.00 0.00 C ATOM 0 HA PRO A 16 -2.313 2.286 -13.082 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.688 2.975 -10.484 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.900 1.757 -10.827 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.043 1.402 -9.980 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.457 0.477 -9.515 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.362 -0.401 -11.386 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.313 -0.917 -11.370 1.00 0.00 H new ATOM 272 N ILE A 17 -0.846 4.330 -12.953 1.00 0.00 N ATOM 273 CA ILE A 17 0.114 5.430 -13.217 1.00 0.00 C ATOM 274 C ILE A 17 -0.548 6.776 -12.946 1.00 0.00 C ATOM 275 O ILE A 17 -0.797 7.539 -13.848 1.00 0.00 O ATOM 276 CB ILE A 17 0.482 5.300 -14.693 1.00 0.00 C ATOM 277 CG1 ILE A 17 -0.787 5.135 -15.531 1.00 0.00 C ATOM 278 CG2 ILE A 17 1.383 4.082 -14.895 1.00 0.00 C ATOM 279 CD1 ILE A 17 -0.460 5.393 -17.002 1.00 0.00 C ATOM 0 H ILE A 17 -1.829 4.599 -12.987 1.00 0.00 H new ATOM 0 HA ILE A 17 0.994 5.371 -12.577 1.00 0.00 H new ATOM 0 HB ILE A 17 1.010 6.200 -15.008 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.190 4.130 -15.407 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.554 5.830 -15.190 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.643 3.993 -15.950 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.292 4.200 -14.306 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.857 3.183 -14.574 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.363 5.276 -17.601 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.077 6.407 -17.117 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.293 4.680 -17.338 1.00 0.00 H new ATOM 291 N TYR A 18 -0.837 7.071 -11.710 1.00 0.00 N ATOM 292 CA TYR A 18 -1.489 8.372 -11.388 1.00 0.00 C ATOM 293 C TYR A 18 -0.437 9.478 -11.260 1.00 0.00 C ATOM 294 O TYR A 18 0.151 9.667 -10.214 1.00 0.00 O ATOM 295 CB TYR A 18 -2.183 8.134 -10.045 1.00 0.00 C ATOM 296 CG TYR A 18 -3.234 9.193 -9.823 1.00 0.00 C ATOM 297 CD1 TYR A 18 -4.379 9.218 -10.627 1.00 0.00 C ATOM 298 CD2 TYR A 18 -3.066 10.147 -8.811 1.00 0.00 C ATOM 299 CE1 TYR A 18 -5.357 10.198 -10.424 1.00 0.00 C ATOM 300 CE2 TYR A 18 -4.044 11.129 -8.606 1.00 0.00 C ATOM 301 CZ TYR A 18 -5.191 11.155 -9.412 1.00 0.00 C ATOM 302 OH TYR A 18 -6.156 12.120 -9.211 1.00 0.00 O ATOM 0 H TYR A 18 -0.650 6.468 -10.908 1.00 0.00 H new ATOM 0 HA TYR A 18 -2.186 8.691 -12.163 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.641 7.145 -10.031 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.452 8.158 -9.237 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -4.508 8.480 -11.405 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -2.183 10.125 -8.189 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -6.239 10.218 -11.046 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.914 11.866 -7.827 1.00 0.00 H new ATOM 0 HH TYR A 18 -5.886 12.703 -8.471 1.00 0.00 H new ATOM 312 N LYS A 19 -0.196 10.212 -12.314 1.00 0.00 N ATOM 313 CA LYS A 19 0.820 11.303 -12.239 1.00 0.00 C ATOM 314 C LYS A 19 0.502 12.407 -13.253 1.00 0.00 C ATOM 315 O LYS A 19 1.330 13.244 -13.551 1.00 0.00 O ATOM 316 CB LYS A 19 2.149 10.631 -12.579 1.00 0.00 C ATOM 317 CG LYS A 19 3.156 10.895 -11.457 1.00 0.00 C ATOM 318 CD LYS A 19 3.862 9.589 -11.088 1.00 0.00 C ATOM 319 CE LYS A 19 5.352 9.861 -10.866 1.00 0.00 C ATOM 320 NZ LYS A 19 5.498 10.015 -9.393 1.00 0.00 N ATOM 0 H LYS A 19 -0.655 10.105 -13.218 1.00 0.00 H new ATOM 0 HA LYS A 19 0.839 11.776 -11.257 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.004 9.558 -12.707 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.532 11.016 -13.524 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.887 11.638 -11.777 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.646 11.304 -10.585 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.420 9.166 -10.186 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.730 8.854 -11.882 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.963 9.040 -11.240 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.672 10.761 -11.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.494 10.204 -9.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.910 10.808 -9.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.192 9.140 -8.921 1.00 0.00 H new ATOM 334 N LYS A 20 -0.690 12.421 -13.784 1.00 0.00 N ATOM 335 CA LYS A 20 -1.053 13.476 -14.773 1.00 0.00 C ATOM 336 C LYS A 20 -1.149 14.838 -14.080 1.00 0.00 C ATOM 337 O LYS A 20 -2.226 15.352 -13.851 1.00 0.00 O ATOM 338 CB LYS A 20 -2.418 13.052 -15.319 1.00 0.00 C ATOM 339 CG LYS A 20 -2.858 14.027 -16.413 1.00 0.00 C ATOM 340 CD LYS A 20 -3.937 13.370 -17.276 1.00 0.00 C ATOM 341 CE LYS A 20 -4.586 14.424 -18.177 1.00 0.00 C ATOM 342 NZ LYS A 20 -5.878 13.819 -18.604 1.00 0.00 N ATOM 0 H LYS A 20 -1.428 11.748 -13.576 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.311 13.575 -15.565 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.362 12.040 -15.720 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.154 13.036 -14.515 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.243 14.943 -15.965 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.004 14.308 -17.030 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.499 12.578 -17.883 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.691 12.905 -16.641 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.746 15.359 -17.640 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.954 14.653 -19.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.383 14.482 -19.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.694 12.934 -19.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.461 13.618 -17.766 1.00 0.00 H new ATOM 356 N ALA A 21 -0.034 15.426 -13.741 1.00 0.00 N ATOM 357 CA ALA A 21 -0.068 16.752 -13.060 1.00 0.00 C ATOM 358 C ALA A 21 0.619 17.813 -13.923 1.00 0.00 C ATOM 359 O ALA A 21 1.801 18.059 -13.783 1.00 0.00 O ATOM 360 CB ALA A 21 0.701 16.546 -11.755 1.00 0.00 C ATOM 0 H ALA A 21 0.898 15.046 -13.906 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.087 17.098 -12.886 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.721 17.480 -11.193 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.209 15.776 -11.161 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.721 16.235 -11.979 1.00 0.00 H new ATOM 366 N PRO A 22 -0.155 18.413 -14.786 1.00 0.00 N ATOM 367 CA PRO A 22 0.377 19.466 -15.684 1.00 0.00 C ATOM 368 C PRO A 22 0.619 20.759 -14.899 1.00 0.00 C ATOM 369 O PRO A 22 0.522 20.788 -13.688 1.00 0.00 O ATOM 370 CB PRO A 22 -0.735 19.656 -16.710 1.00 0.00 C ATOM 371 CG PRO A 22 -1.983 19.209 -16.019 1.00 0.00 C ATOM 372 CD PRO A 22 -1.583 18.166 -15.007 1.00 0.00 C ATOM 0 HA PRO A 22 1.331 19.201 -16.141 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.809 20.698 -17.023 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.548 19.066 -17.607 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -2.475 20.050 -15.531 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -2.693 18.797 -16.736 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -2.153 18.267 -14.083 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.760 17.158 -15.382 1.00 0.00 H new ATOM 380 N THR A 23 0.926 21.828 -15.580 1.00 0.00 N ATOM 381 CA THR A 23 1.167 23.117 -14.872 1.00 0.00 C ATOM 382 C THR A 23 -0.134 23.627 -14.253 1.00 0.00 C ATOM 383 O THR A 23 -0.259 23.746 -13.050 1.00 0.00 O ATOM 384 CB THR A 23 1.661 24.078 -15.954 1.00 0.00 C ATOM 385 OG1 THR A 23 2.775 23.503 -16.622 1.00 0.00 O ATOM 386 CG2 THR A 23 2.075 25.403 -15.312 1.00 0.00 C ATOM 0 H THR A 23 1.020 21.865 -16.595 1.00 0.00 H new ATOM 0 HA THR A 23 1.887 23.016 -14.060 1.00 0.00 H new ATOM 0 HB THR A 23 0.861 24.260 -16.672 1.00 0.00 H new ATOM 0 HG1 THR A 23 3.092 24.117 -17.317 1.00 0.00 H new ATOM 0 HG21 THR A 23 2.427 26.087 -16.084 1.00 0.00 H new ATOM 0 HG22 THR A 23 1.219 25.843 -14.800 1.00 0.00 H new ATOM 0 HG23 THR A 23 2.875 25.225 -14.593 1.00 0.00 H new ATOM 394 N ASN A 24 -1.097 23.926 -15.070 1.00 0.00 N ATOM 395 CA ASN A 24 -2.398 24.430 -14.545 1.00 0.00 C ATOM 396 C ASN A 24 -3.512 24.193 -15.567 1.00 0.00 C ATOM 397 O ASN A 24 -4.600 23.772 -15.227 1.00 0.00 O ATOM 398 CB ASN A 24 -2.180 25.927 -14.329 1.00 0.00 C ATOM 399 CG ASN A 24 -3.148 26.434 -13.259 1.00 0.00 C ATOM 400 OD1 ASN A 24 -4.066 25.737 -12.873 1.00 0.00 O ATOM 401 ND2 ASN A 24 -2.981 27.628 -12.757 1.00 0.00 N ATOM 0 H ASN A 24 -1.043 23.844 -16.085 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.698 23.922 -13.628 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.151 26.115 -14.022 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.338 26.467 -15.263 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.620 27.975 -12.042 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.211 28.214 -13.080 1.00 0.00 H new ATOM 408 N GLU A 25 -3.250 24.460 -16.818 1.00 0.00 N ATOM 409 CA GLU A 25 -4.296 24.250 -17.860 1.00 0.00 C ATOM 410 C GLU A 25 -4.137 22.870 -18.502 1.00 0.00 C ATOM 411 O GLU A 25 -3.145 22.195 -18.309 1.00 0.00 O ATOM 412 CB GLU A 25 -4.053 25.353 -18.890 1.00 0.00 C ATOM 413 CG GLU A 25 -4.610 26.676 -18.363 1.00 0.00 C ATOM 414 CD GLU A 25 -4.720 27.677 -19.515 1.00 0.00 C ATOM 415 OE1 GLU A 25 -5.176 27.282 -20.575 1.00 0.00 O ATOM 416 OE2 GLU A 25 -4.348 28.822 -19.317 1.00 0.00 O ATOM 0 H GLU A 25 -2.358 24.814 -17.163 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.304 24.291 -17.447 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.986 25.450 -19.090 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.532 25.095 -19.834 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -5.589 26.517 -17.911 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.959 27.072 -17.583 1.00 0.00 H new ATOM 423 N PHE A 26 -5.107 22.444 -19.265 1.00 0.00 N ATOM 424 CA PHE A 26 -5.010 21.108 -19.917 1.00 0.00 C ATOM 425 C PHE A 26 -3.939 21.128 -21.011 1.00 0.00 C ATOM 426 O PHE A 26 -4.239 21.191 -22.187 1.00 0.00 O ATOM 427 CB PHE A 26 -6.392 20.862 -20.522 1.00 0.00 C ATOM 428 CG PHE A 26 -6.386 19.555 -21.276 1.00 0.00 C ATOM 429 CD1 PHE A 26 -6.470 18.343 -20.578 1.00 0.00 C ATOM 430 CD2 PHE A 26 -6.296 19.552 -22.675 1.00 0.00 C ATOM 431 CE1 PHE A 26 -6.466 17.129 -21.277 1.00 0.00 C ATOM 432 CE2 PHE A 26 -6.291 18.339 -23.375 1.00 0.00 C ATOM 433 CZ PHE A 26 -6.376 17.127 -22.675 1.00 0.00 C ATOM 0 H PHE A 26 -5.962 22.964 -19.465 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.728 20.325 -19.213 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -7.146 20.837 -19.735 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -6.658 21.679 -21.192 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.538 18.345 -19.500 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.230 20.486 -23.213 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.532 16.195 -20.738 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -6.222 18.337 -24.453 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.372 16.191 -23.214 1.00 0.00 H new ATOM 443 N TYR A 27 -2.691 21.073 -20.633 1.00 0.00 N ATOM 444 CA TYR A 27 -1.602 21.087 -21.651 1.00 0.00 C ATOM 445 C TYR A 27 -1.284 19.660 -22.105 1.00 0.00 C ATOM 446 O TYR A 27 -0.924 18.812 -21.314 1.00 0.00 O ATOM 447 CB TYR A 27 -0.400 21.702 -20.934 1.00 0.00 C ATOM 448 CG TYR A 27 0.534 22.314 -21.950 1.00 0.00 C ATOM 449 CD1 TYR A 27 1.261 21.489 -22.818 1.00 0.00 C ATOM 450 CD2 TYR A 27 0.672 23.706 -22.026 1.00 0.00 C ATOM 451 CE1 TYR A 27 2.128 22.056 -23.763 1.00 0.00 C ATOM 452 CE2 TYR A 27 1.538 24.273 -22.970 1.00 0.00 C ATOM 453 CZ TYR A 27 2.266 23.449 -23.839 1.00 0.00 C ATOM 454 OH TYR A 27 3.119 24.008 -24.768 1.00 0.00 O ATOM 0 H TYR A 27 -2.378 21.019 -19.664 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.877 21.650 -22.543 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.734 22.462 -20.228 1.00 0.00 H new ATOM 0 HB3 TYR A 27 0.123 20.939 -20.357 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.154 20.416 -22.759 1.00 0.00 H new ATOM 0 HD2 TYR A 27 0.111 24.342 -21.357 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.689 21.420 -24.432 1.00 0.00 H new ATOM 0 HE2 TYR A 27 1.645 25.346 -23.028 1.00 0.00 H new ATOM 0 HH TYR A 27 3.096 24.984 -24.688 1.00 0.00 H new ATOM 464 N ALA A 28 -1.414 19.388 -23.375 1.00 0.00 N ATOM 465 CA ALA A 28 -1.119 18.016 -23.877 1.00 0.00 C ATOM 466 C ALA A 28 -0.227 18.085 -25.119 1.00 0.00 C ATOM 467 O ALA A 28 0.979 18.151 -24.955 1.00 0.00 O ATOM 468 CB ALA A 28 -2.483 17.419 -24.227 1.00 0.00 C ATOM 469 OXT ALA A 28 -0.768 18.072 -26.213 1.00 0.00 O ATOM 0 H ALA A 28 -1.712 20.056 -24.086 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.588 17.413 -23.140 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.350 16.405 -24.605 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.109 17.394 -23.335 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.963 18.031 -24.990 1.00 0.00 H new TER 475 ALA A 28 ATOM 476 N ARG B 1 -4.759 -28.825 -2.733 1.00 0.00 N ATOM 477 CA ARG B 1 -4.509 -28.830 -4.203 1.00 0.00 C ATOM 478 C ARG B 1 -5.508 -27.912 -4.914 1.00 0.00 C ATOM 479 O ARG B 1 -6.625 -27.733 -4.471 1.00 0.00 O ATOM 480 CB ARG B 1 -4.716 -30.281 -4.635 1.00 0.00 C ATOM 481 CG ARG B 1 -3.378 -31.023 -4.597 1.00 0.00 C ATOM 482 CD ARG B 1 -2.828 -31.159 -6.019 1.00 0.00 C ATOM 483 NE ARG B 1 -1.355 -30.991 -5.879 1.00 0.00 N ATOM 484 CZ ARG B 1 -0.758 -29.975 -6.439 1.00 0.00 C ATOM 485 NH1 ARG B 1 -1.194 -28.764 -6.226 1.00 0.00 N ATOM 486 NH2 ARG B 1 0.275 -30.170 -7.213 1.00 0.00 N ATOM 0 H1 ARG B 1 -4.548 -29.765 -2.342 1.00 0.00 H new ATOM 0 H2 ARG B 1 -4.148 -28.116 -2.279 1.00 0.00 H new ATOM 0 H3 ARG B 1 -5.756 -28.590 -2.551 1.00 0.00 H new ATOM 0 HA ARG B 1 -3.512 -28.468 -4.452 1.00 0.00 H new ATOM 0 HB2 ARG B 1 -5.433 -30.769 -3.975 1.00 0.00 H new ATOM 0 HB3 ARG B 1 -5.134 -30.316 -5.641 1.00 0.00 H new ATOM 0 HG2 ARG B 1 -2.668 -30.482 -3.971 1.00 0.00 H new ATOM 0 HG3 ARG B 1 -3.509 -32.009 -4.151 1.00 0.00 H new ATOM 0 HD2 ARG B 1 -3.076 -32.130 -6.447 1.00 0.00 H new ATOM 0 HD3 ARG B 1 -3.251 -30.402 -6.680 1.00 0.00 H new ATOM 0 HE ARG B 1 -0.813 -31.670 -5.345 1.00 0.00 H new ATOM 0 HH11 ARG B 1 -2.001 -28.612 -5.622 1.00 0.00 H new ATOM 0 HH12 ARG B 1 -0.727 -27.970 -6.664 1.00 0.00 H new ATOM 0 HH21 ARG B 1 0.616 -31.117 -7.380 1.00 0.00 H new ATOM 0 HH22 ARG B 1 0.742 -29.376 -7.651 1.00 0.00 H new ATOM 502 N MET B 2 -5.115 -27.331 -6.015 1.00 0.00 N ATOM 503 CA MET B 2 -6.043 -26.426 -6.755 1.00 0.00 C ATOM 504 C MET B 2 -6.848 -27.224 -7.783 1.00 0.00 C ATOM 505 O MET B 2 -7.990 -26.916 -8.065 1.00 0.00 O ATOM 506 CB MET B 2 -5.134 -25.412 -7.451 1.00 0.00 C ATOM 507 CG MET B 2 -5.959 -24.198 -7.880 1.00 0.00 C ATOM 508 SD MET B 2 -6.469 -23.267 -6.414 1.00 0.00 S ATOM 509 CE MET B 2 -4.879 -22.464 -6.091 1.00 0.00 C ATOM 0 H MET B 2 -4.192 -27.443 -6.435 1.00 0.00 H new ATOM 0 HA MET B 2 -6.763 -25.941 -6.096 1.00 0.00 H new ATOM 0 HB2 MET B 2 -4.334 -25.102 -6.778 1.00 0.00 H new ATOM 0 HB3 MET B 2 -4.660 -25.869 -8.320 1.00 0.00 H new ATOM 0 HG2 MET B 2 -5.372 -23.562 -8.542 1.00 0.00 H new ATOM 0 HG3 MET B 2 -6.835 -24.521 -8.442 1.00 0.00 H new ATOM 0 HE1 MET B 2 -4.522 -22.748 -5.101 1.00 0.00 H new ATOM 0 HE2 MET B 2 -4.154 -22.778 -6.842 1.00 0.00 H new ATOM 0 HE3 MET B 2 -5.002 -21.382 -6.135 1.00 0.00 H new ATOM 519 N LYS B 3 -6.263 -28.245 -8.347 1.00 0.00 N ATOM 520 CA LYS B 3 -6.995 -29.061 -9.358 1.00 0.00 C ATOM 521 C LYS B 3 -7.631 -28.150 -10.411 1.00 0.00 C ATOM 522 O LYS B 3 -8.814 -27.871 -10.373 1.00 0.00 O ATOM 523 CB LYS B 3 -8.072 -29.802 -8.563 1.00 0.00 C ATOM 524 CG LYS B 3 -7.432 -30.961 -7.795 1.00 0.00 C ATOM 525 CD LYS B 3 -8.521 -31.770 -7.088 1.00 0.00 C ATOM 526 CE LYS B 3 -7.921 -32.483 -5.874 1.00 0.00 C ATOM 527 NZ LYS B 3 -8.969 -33.448 -5.437 1.00 0.00 N ATOM 0 H LYS B 3 -5.309 -28.550 -8.152 1.00 0.00 H new ATOM 0 HA LYS B 3 -6.338 -29.749 -9.891 1.00 0.00 H new ATOM 0 HB2 LYS B 3 -8.562 -29.119 -7.869 1.00 0.00 H new ATOM 0 HB3 LYS B 3 -8.842 -30.179 -9.236 1.00 0.00 H new ATOM 0 HG2 LYS B 3 -6.876 -31.601 -8.480 1.00 0.00 H new ATOM 0 HG3 LYS B 3 -6.718 -30.578 -7.066 1.00 0.00 H new ATOM 0 HD2 LYS B 3 -9.331 -31.112 -6.773 1.00 0.00 H new ATOM 0 HD3 LYS B 3 -8.951 -32.499 -7.775 1.00 0.00 H new ATOM 0 HE2 LYS B 3 -6.996 -32.997 -6.135 1.00 0.00 H new ATOM 0 HE3 LYS B 3 -7.680 -31.776 -5.080 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 -8.631 -33.976 -4.607 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 -9.836 -32.930 -5.188 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 -9.173 -34.113 -6.210 1.00 0.00 H new ATOM 541 N LYS B 4 -6.856 -27.683 -11.351 1.00 0.00 N ATOM 542 CA LYS B 4 -7.414 -26.789 -12.406 1.00 0.00 C ATOM 543 C LYS B 4 -6.935 -27.241 -13.789 1.00 0.00 C ATOM 544 O LYS B 4 -5.792 -27.611 -13.970 1.00 0.00 O ATOM 545 CB LYS B 4 -6.868 -25.399 -12.077 1.00 0.00 C ATOM 546 CG LYS B 4 -7.818 -24.333 -12.627 1.00 0.00 C ATOM 547 CD LYS B 4 -7.165 -22.954 -12.503 1.00 0.00 C ATOM 548 CE LYS B 4 -7.607 -22.295 -11.194 1.00 0.00 C ATOM 549 NZ LYS B 4 -7.397 -20.836 -11.408 1.00 0.00 N ATOM 0 H LYS B 4 -5.859 -27.882 -11.435 1.00 0.00 H new ATOM 0 HA LYS B 4 -8.504 -26.804 -12.427 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -6.762 -25.285 -10.998 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -5.875 -25.275 -12.510 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -8.053 -24.543 -13.670 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -8.760 -24.352 -12.078 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -6.080 -23.051 -12.525 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -7.447 -22.329 -13.350 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -8.652 -22.515 -10.974 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -7.020 -22.659 -10.351 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -7.678 -20.316 -10.552 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -6.393 -20.656 -11.609 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -7.974 -20.517 -12.212 1.00 0.00 H new ATOM 563 N LYS B 5 -7.799 -27.212 -14.767 1.00 0.00 N ATOM 564 CA LYS B 5 -7.391 -27.639 -16.136 1.00 0.00 C ATOM 565 C LYS B 5 -7.829 -26.595 -17.166 1.00 0.00 C ATOM 566 O LYS B 5 -8.996 -26.475 -17.484 1.00 0.00 O ATOM 567 CB LYS B 5 -8.117 -28.964 -16.370 1.00 0.00 C ATOM 568 CG LYS B 5 -7.107 -30.031 -16.797 1.00 0.00 C ATOM 569 CD LYS B 5 -7.713 -31.421 -16.586 1.00 0.00 C ATOM 570 CE LYS B 5 -7.510 -32.262 -17.849 1.00 0.00 C ATOM 571 NZ LYS B 5 -8.840 -32.880 -18.114 1.00 0.00 N ATOM 0 H LYS B 5 -8.770 -26.911 -14.677 1.00 0.00 H new ATOM 0 HA LYS B 5 -6.310 -27.745 -16.232 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -8.629 -29.276 -15.460 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -8.880 -28.842 -17.139 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -6.839 -29.895 -17.845 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -6.189 -29.931 -16.218 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -7.243 -31.909 -15.732 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -8.776 -31.336 -16.360 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -7.187 -31.645 -18.687 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -6.744 -33.022 -17.699 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -8.783 -33.473 -18.966 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -9.118 -33.467 -17.302 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -9.548 -32.132 -18.259 1.00 0.00 H new ATOM 585 N ASP B 6 -6.904 -25.838 -17.690 1.00 0.00 N ATOM 586 CA ASP B 6 -7.270 -24.802 -18.697 1.00 0.00 C ATOM 587 C ASP B 6 -6.168 -24.672 -19.751 1.00 0.00 C ATOM 588 O ASP B 6 -5.286 -25.503 -19.850 1.00 0.00 O ATOM 589 CB ASP B 6 -7.402 -23.505 -17.899 1.00 0.00 C ATOM 590 CG ASP B 6 -8.810 -22.936 -18.076 1.00 0.00 C ATOM 591 OD1 ASP B 6 -9.758 -23.669 -17.837 1.00 0.00 O ATOM 592 OD2 ASP B 6 -8.919 -21.779 -18.445 1.00 0.00 O ATOM 0 H ASP B 6 -5.911 -25.892 -17.464 1.00 0.00 H new ATOM 0 HA ASP B 6 -8.188 -25.051 -19.229 1.00 0.00 H new ATOM 0 HB2 ASP B 6 -7.205 -23.694 -16.844 1.00 0.00 H new ATOM 0 HB3 ASP B 6 -6.661 -22.781 -18.237 1.00 0.00 H new ATOM 597 N GLU B 7 -6.211 -23.633 -20.540 1.00 0.00 N ATOM 598 CA GLU B 7 -5.169 -23.444 -21.589 1.00 0.00 C ATOM 599 C GLU B 7 -4.482 -22.090 -21.412 1.00 0.00 C ATOM 600 O GLU B 7 -3.473 -21.973 -20.747 1.00 0.00 O ATOM 601 CB GLU B 7 -5.929 -23.492 -22.915 1.00 0.00 C ATOM 602 CG GLU B 7 -6.283 -24.943 -23.249 1.00 0.00 C ATOM 603 CD GLU B 7 -7.729 -25.014 -23.743 1.00 0.00 C ATOM 604 OE1 GLU B 7 -8.612 -24.650 -22.984 1.00 0.00 O ATOM 605 OE2 GLU B 7 -7.928 -25.430 -24.873 1.00 0.00 O ATOM 0 H GLU B 7 -6.925 -22.905 -20.503 1.00 0.00 H new ATOM 0 HA GLU B 7 -4.389 -24.204 -21.539 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -6.836 -22.891 -22.848 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -5.320 -23.063 -23.711 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -5.607 -25.327 -24.013 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -6.157 -25.571 -22.367 1.00 0.00 H new ATOM 612 N GLY B 8 -5.027 -21.067 -22.004 1.00 0.00 N ATOM 613 CA GLY B 8 -4.415 -19.714 -21.876 1.00 0.00 C ATOM 614 C GLY B 8 -5.131 -18.928 -20.775 1.00 0.00 C ATOM 615 O GLY B 8 -6.266 -18.522 -20.929 1.00 0.00 O ATOM 0 H GLY B 8 -5.872 -21.108 -22.573 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -3.354 -19.804 -21.641 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -4.487 -19.180 -22.824 1.00 0.00 H new ATOM 619 N SER B 9 -4.477 -18.710 -19.667 1.00 0.00 N ATOM 620 CA SER B 9 -5.124 -17.949 -18.558 1.00 0.00 C ATOM 621 C SER B 9 -4.585 -16.515 -18.516 1.00 0.00 C ATOM 622 O SER B 9 -3.666 -16.167 -19.230 1.00 0.00 O ATOM 623 CB SER B 9 -4.743 -18.699 -17.282 1.00 0.00 C ATOM 624 OG SER B 9 -5.639 -19.786 -17.092 1.00 0.00 O ATOM 0 H SER B 9 -3.525 -19.025 -19.481 1.00 0.00 H new ATOM 0 HA SER B 9 -6.205 -17.881 -18.683 1.00 0.00 H new ATOM 0 HB2 SER B 9 -3.719 -19.065 -17.353 1.00 0.00 H new ATOM 0 HB3 SER B 9 -4.782 -18.026 -16.425 1.00 0.00 H new ATOM 0 HG SER B 9 -5.397 -20.271 -16.275 1.00 0.00 H new ATOM 630 N TYR B 10 -5.151 -15.683 -17.685 1.00 0.00 N ATOM 631 CA TYR B 10 -4.672 -14.273 -17.598 1.00 0.00 C ATOM 632 C TYR B 10 -5.240 -13.601 -16.344 1.00 0.00 C ATOM 633 O TYR B 10 -6.280 -13.978 -15.844 1.00 0.00 O ATOM 634 CB TYR B 10 -5.205 -13.595 -18.860 1.00 0.00 C ATOM 635 CG TYR B 10 -6.713 -13.660 -18.868 1.00 0.00 C ATOM 636 CD1 TYR B 10 -7.364 -14.765 -19.432 1.00 0.00 C ATOM 637 CD2 TYR B 10 -7.462 -12.615 -18.311 1.00 0.00 C ATOM 638 CE1 TYR B 10 -8.764 -14.826 -19.438 1.00 0.00 C ATOM 639 CE2 TYR B 10 -8.862 -12.675 -18.318 1.00 0.00 C ATOM 640 CZ TYR B 10 -9.513 -13.780 -18.881 1.00 0.00 C ATOM 641 OH TYR B 10 -10.891 -13.839 -18.888 1.00 0.00 O ATOM 0 H TYR B 10 -5.924 -15.918 -17.063 1.00 0.00 H new ATOM 0 HA TYR B 10 -3.586 -14.207 -17.530 1.00 0.00 H new ATOM 0 HB2 TYR B 10 -4.875 -12.557 -18.895 1.00 0.00 H new ATOM 0 HB3 TYR B 10 -4.805 -14.087 -19.747 1.00 0.00 H new ATOM 0 HD1 TYR B 10 -6.787 -15.570 -19.862 1.00 0.00 H new ATOM 0 HD2 TYR B 10 -6.960 -11.763 -17.876 1.00 0.00 H new ATOM 0 HE1 TYR B 10 -9.266 -15.678 -19.872 1.00 0.00 H new ATOM 0 HE2 TYR B 10 -9.439 -11.869 -17.889 1.00 0.00 H new ATOM 0 HH TYR B 10 -11.255 -13.035 -18.462 1.00 0.00 H new ATOM 651 N ASP B 11 -4.564 -12.609 -15.832 1.00 0.00 N ATOM 652 CA ASP B 11 -5.069 -11.917 -14.610 1.00 0.00 C ATOM 653 C ASP B 11 -4.723 -10.426 -14.661 1.00 0.00 C ATOM 654 O ASP B 11 -4.093 -9.895 -13.768 1.00 0.00 O ATOM 655 CB ASP B 11 -4.348 -12.594 -13.444 1.00 0.00 C ATOM 656 CG ASP B 11 -5.128 -12.351 -12.151 1.00 0.00 C ATOM 657 OD1 ASP B 11 -5.055 -11.247 -11.636 1.00 0.00 O ATOM 658 OD2 ASP B 11 -5.787 -13.273 -11.697 1.00 0.00 O ATOM 0 H ASP B 11 -3.686 -12.248 -16.205 1.00 0.00 H new ATOM 0 HA ASP B 11 -6.153 -11.987 -14.516 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -4.257 -13.664 -13.631 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -3.336 -12.200 -13.350 1.00 0.00 H new ATOM 663 N LEU B 12 -5.132 -9.747 -15.698 1.00 0.00 N ATOM 664 CA LEU B 12 -4.826 -8.294 -15.804 1.00 0.00 C ATOM 665 C LEU B 12 -5.651 -7.502 -14.784 1.00 0.00 C ATOM 666 O LEU B 12 -6.423 -6.633 -15.137 1.00 0.00 O ATOM 667 CB LEU B 12 -5.223 -7.908 -17.230 1.00 0.00 C ATOM 668 CG LEU B 12 -4.085 -8.260 -18.188 1.00 0.00 C ATOM 669 CD1 LEU B 12 -3.991 -9.779 -18.331 1.00 0.00 C ATOM 670 CD2 LEU B 12 -4.362 -7.635 -19.557 1.00 0.00 C ATOM 0 H LEU B 12 -5.665 -10.137 -16.476 1.00 0.00 H new ATOM 0 HA LEU B 12 -3.777 -8.078 -15.600 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -6.133 -8.433 -17.520 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -5.440 -6.841 -17.282 1.00 0.00 H new ATOM 0 HG LEU B 12 -3.145 -7.874 -17.795 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -3.180 -10.031 -19.014 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -3.796 -10.225 -17.356 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -4.931 -10.166 -18.725 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -3.552 -7.885 -20.242 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -5.302 -8.022 -19.950 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -4.430 -6.552 -19.455 1.00 0.00 H new ATOM 682 N GLY B 13 -5.495 -7.799 -13.522 1.00 0.00 N ATOM 683 CA GLY B 13 -6.270 -7.064 -12.482 1.00 0.00 C ATOM 684 C GLY B 13 -5.711 -5.648 -12.332 1.00 0.00 C ATOM 685 O GLY B 13 -6.384 -4.751 -11.866 1.00 0.00 O ATOM 0 H GLY B 13 -4.865 -8.518 -13.167 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -7.323 -7.023 -12.760 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -6.212 -7.592 -11.530 1.00 0.00 H new ATOM 689 N LYS B 14 -4.482 -5.440 -12.720 1.00 0.00 N ATOM 690 CA LYS B 14 -3.882 -4.080 -12.596 1.00 0.00 C ATOM 691 C LYS B 14 -4.369 -3.178 -13.733 1.00 0.00 C ATOM 692 O LYS B 14 -4.741 -3.644 -14.792 1.00 0.00 O ATOM 693 CB LYS B 14 -2.373 -4.303 -12.698 1.00 0.00 C ATOM 694 CG LYS B 14 -1.890 -5.093 -11.480 1.00 0.00 C ATOM 695 CD LYS B 14 -0.553 -4.522 -11.001 1.00 0.00 C ATOM 696 CE LYS B 14 -0.807 -3.451 -9.936 1.00 0.00 C ATOM 697 NZ LYS B 14 0.004 -3.876 -8.763 1.00 0.00 N ATOM 0 H LYS B 14 -3.868 -6.151 -13.117 1.00 0.00 H new ATOM 0 HA LYS B 14 -4.161 -3.590 -11.663 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -2.136 -4.845 -13.614 1.00 0.00 H new ATOM 0 HB3 LYS B 14 -1.856 -3.345 -12.752 1.00 0.00 H new ATOM 0 HG2 LYS B 14 -2.629 -5.038 -10.681 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -1.777 -6.146 -11.737 1.00 0.00 H new ATOM 0 HD2 LYS B 14 0.068 -5.318 -10.591 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -0.007 -4.092 -11.841 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -0.505 -2.465 -10.288 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -1.865 -3.389 -9.683 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -0.118 -3.191 -7.990 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -0.310 -4.815 -8.446 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 1.008 -3.919 -9.032 1.00 0.00 H new ATOM 711 N LYS B 15 -4.369 -1.890 -13.522 1.00 0.00 N ATOM 712 CA LYS B 15 -4.832 -0.958 -14.591 1.00 0.00 C ATOM 713 C LYS B 15 -4.177 0.415 -14.417 1.00 0.00 C ATOM 714 O LYS B 15 -3.943 0.857 -13.309 1.00 0.00 O ATOM 715 CB LYS B 15 -6.346 -0.858 -14.400 1.00 0.00 C ATOM 716 CG LYS B 15 -7.039 -1.952 -15.215 1.00 0.00 C ATOM 717 CD LYS B 15 -8.502 -1.569 -15.444 1.00 0.00 C ATOM 718 CE LYS B 15 -8.876 -1.829 -16.905 1.00 0.00 C ATOM 719 NZ LYS B 15 -8.948 -0.478 -17.528 1.00 0.00 N ATOM 0 H LYS B 15 -4.069 -1.442 -12.656 1.00 0.00 H new ATOM 0 HA LYS B 15 -4.569 -1.310 -15.588 1.00 0.00 H new ATOM 0 HB2 LYS B 15 -6.597 -0.962 -13.345 1.00 0.00 H new ATOM 0 HB3 LYS B 15 -6.699 0.124 -14.716 1.00 0.00 H new ATOM 0 HG2 LYS B 15 -6.533 -2.084 -16.171 1.00 0.00 H new ATOM 0 HG3 LYS B 15 -6.980 -2.905 -14.689 1.00 0.00 H new ATOM 0 HD2 LYS B 15 -9.148 -2.148 -14.784 1.00 0.00 H new ATOM 0 HD3 LYS B 15 -8.656 -0.518 -15.200 1.00 0.00 H new ATOM 0 HE2 LYS B 15 -8.131 -2.453 -17.399 1.00 0.00 H new ATOM 0 HE3 LYS B 15 -9.830 -2.351 -16.982 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 -9.200 -0.572 -18.533 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 -9.670 0.091 -17.042 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 -8.024 -0.008 -17.445 1.00 0.00 H new ATOM 733 N PRO B 16 -3.902 1.046 -15.527 1.00 0.00 N ATOM 734 CA PRO B 16 -3.266 2.386 -15.506 1.00 0.00 C ATOM 735 C PRO B 16 -4.265 3.453 -15.050 1.00 0.00 C ATOM 736 O PRO B 16 -5.464 3.280 -15.151 1.00 0.00 O ATOM 737 CB PRO B 16 -2.857 2.610 -16.959 1.00 0.00 C ATOM 738 CG PRO B 16 -3.780 1.748 -17.760 1.00 0.00 C ATOM 739 CD PRO B 16 -4.155 0.574 -16.892 1.00 0.00 C ATOM 0 HA PRO B 16 -2.425 2.448 -14.815 1.00 0.00 H new ATOM 0 HB2 PRO B 16 -2.955 3.659 -17.239 1.00 0.00 H new ATOM 0 HB3 PRO B 16 -1.816 2.332 -17.123 1.00 0.00 H new ATOM 0 HG2 PRO B 16 -4.668 2.306 -18.057 1.00 0.00 H new ATOM 0 HG3 PRO B 16 -3.294 1.411 -18.676 1.00 0.00 H new ATOM 0 HD2 PRO B 16 -5.199 0.293 -17.030 1.00 0.00 H new ATOM 0 HD3 PRO B 16 -3.555 -0.305 -17.128 1.00 0.00 H new ATOM 747 N ILE B 17 -3.777 4.555 -14.551 1.00 0.00 N ATOM 748 CA ILE B 17 -4.683 5.636 -14.089 1.00 0.00 C ATOM 749 C ILE B 17 -3.944 6.973 -14.089 1.00 0.00 C ATOM 750 O ILE B 17 -3.673 7.536 -13.053 1.00 0.00 O ATOM 751 CB ILE B 17 -5.083 5.244 -12.669 1.00 0.00 C ATOM 752 CG1 ILE B 17 -3.841 4.846 -11.873 1.00 0.00 C ATOM 753 CG2 ILE B 17 -6.057 4.065 -12.715 1.00 0.00 C ATOM 754 CD1 ILE B 17 -4.181 4.817 -10.382 1.00 0.00 C ATOM 0 H ILE B 17 -2.782 4.751 -14.444 1.00 0.00 H new ATOM 0 HA ILE B 17 -5.553 5.751 -14.736 1.00 0.00 H new ATOM 0 HB ILE B 17 -5.564 6.095 -12.186 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -3.487 3.867 -12.196 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -3.034 5.554 -12.059 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -6.341 3.788 -11.700 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -6.947 4.350 -13.275 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -5.578 3.216 -13.203 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -3.296 4.533 -9.812 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -4.515 5.805 -10.066 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -4.975 4.092 -10.204 1.00 0.00 H new ATOM 766 N TYR B 18 -3.618 7.484 -15.244 1.00 0.00 N ATOM 767 CA TYR B 18 -2.894 8.785 -15.307 1.00 0.00 C ATOM 768 C TYR B 18 -3.884 9.951 -15.233 1.00 0.00 C ATOM 769 O TYR B 18 -4.444 10.366 -16.228 1.00 0.00 O ATOM 770 CB TYR B 18 -2.180 8.770 -16.661 1.00 0.00 C ATOM 771 CG TYR B 18 -1.065 9.790 -16.662 1.00 0.00 C ATOM 772 CD1 TYR B 18 0.067 9.591 -15.863 1.00 0.00 C ATOM 773 CD2 TYR B 18 -1.165 10.934 -17.463 1.00 0.00 C ATOM 774 CE1 TYR B 18 1.100 10.535 -15.863 1.00 0.00 C ATOM 775 CE2 TYR B 18 -0.130 11.880 -17.465 1.00 0.00 C ATOM 776 CZ TYR B 18 1.003 11.680 -16.664 1.00 0.00 C ATOM 777 OH TYR B 18 2.022 12.610 -16.664 1.00 0.00 O ATOM 0 H TYR B 18 -3.822 7.057 -16.148 1.00 0.00 H new ATOM 0 HA TYR B 18 -2.198 8.912 -14.478 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -1.777 7.777 -16.859 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -2.889 8.991 -17.459 1.00 0.00 H new ATOM 0 HD1 TYR B 18 0.143 8.708 -15.246 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -2.039 11.088 -18.079 1.00 0.00 H new ATOM 0 HE1 TYR B 18 1.972 10.381 -15.245 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -0.206 12.762 -18.083 1.00 0.00 H new ATOM 0 HH TYR B 18 2.084 13.027 -15.779 1.00 0.00 H new ATOM 787 N LYS B 19 -4.105 10.481 -14.060 1.00 0.00 N ATOM 788 CA LYS B 19 -5.060 11.619 -13.926 1.00 0.00 C ATOM 789 C LYS B 19 -4.705 12.486 -12.713 1.00 0.00 C ATOM 790 O LYS B 19 -5.490 13.300 -12.272 1.00 0.00 O ATOM 791 CB LYS B 19 -6.428 10.964 -13.736 1.00 0.00 C ATOM 792 CG LYS B 19 -7.395 11.493 -14.795 1.00 0.00 C ATOM 793 CD LYS B 19 -8.160 10.324 -15.420 1.00 0.00 C ATOM 794 CE LYS B 19 -9.628 10.715 -15.605 1.00 0.00 C ATOM 795 NZ LYS B 19 -9.730 11.162 -17.021 1.00 0.00 N ATOM 0 H LYS B 19 -3.667 10.176 -13.191 1.00 0.00 H new ATOM 0 HA LYS B 19 -5.036 12.277 -14.795 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -6.339 9.881 -13.817 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -6.811 11.179 -12.738 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -8.093 12.199 -14.345 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -6.846 12.035 -15.565 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -7.719 10.060 -16.381 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -8.085 9.444 -14.782 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -10.289 9.871 -15.409 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -9.914 11.511 -14.918 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -10.709 11.447 -17.225 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -9.094 11.970 -17.176 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -9.458 10.381 -17.652 1.00 0.00 H new ATOM 809 N LYS B 20 -3.528 12.324 -12.173 1.00 0.00 N ATOM 810 CA LYS B 20 -3.129 13.145 -10.994 1.00 0.00 C ATOM 811 C LYS B 20 -2.945 14.607 -11.407 1.00 0.00 C ATOM 812 O LYS B 20 -1.837 15.095 -11.518 1.00 0.00 O ATOM 813 CB LYS B 20 -1.800 12.550 -10.531 1.00 0.00 C ATOM 814 CG LYS B 20 -1.332 13.266 -9.262 1.00 0.00 C ATOM 815 CD LYS B 20 -0.310 12.394 -8.530 1.00 0.00 C ATOM 816 CE LYS B 20 0.373 13.214 -7.432 1.00 0.00 C ATOM 817 NZ LYS B 20 1.620 12.467 -7.114 1.00 0.00 N ATOM 0 H LYS B 20 -2.826 11.659 -12.497 1.00 0.00 H new ATOM 0 HA LYS B 20 -3.881 13.129 -10.205 1.00 0.00 H new ATOM 0 HB2 LYS B 20 -1.915 11.483 -10.338 1.00 0.00 H new ATOM 0 HB3 LYS B 20 -1.051 12.653 -11.316 1.00 0.00 H new ATOM 0 HG2 LYS B 20 -0.888 14.228 -9.518 1.00 0.00 H new ATOM 0 HG3 LYS B 20 -2.183 13.470 -8.612 1.00 0.00 H new ATOM 0 HD2 LYS B 20 -0.804 11.525 -8.095 1.00 0.00 H new ATOM 0 HD3 LYS B 20 0.433 12.019 -9.234 1.00 0.00 H new ATOM 0 HE2 LYS B 20 0.595 14.225 -7.774 1.00 0.00 H new ATOM 0 HE3 LYS B 20 -0.266 13.308 -6.554 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 2.144 12.968 -6.368 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 1.377 11.511 -6.785 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 2.211 12.400 -7.967 1.00 0.00 H new ATOM 831 N ALA B 21 -4.020 15.309 -11.642 1.00 0.00 N ATOM 832 CA ALA B 21 -3.900 16.738 -12.052 1.00 0.00 C ATOM 833 C ALA B 21 -4.548 17.651 -11.007 1.00 0.00 C ATOM 834 O ALA B 21 -5.711 17.986 -11.109 1.00 0.00 O ATOM 835 CB ALA B 21 -4.650 16.831 -13.382 1.00 0.00 C ATOM 0 H ALA B 21 -4.974 14.956 -11.568 1.00 0.00 H new ATOM 0 HA ALA B 21 -2.861 17.053 -12.144 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -4.608 17.855 -13.752 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -4.187 16.163 -14.108 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -5.690 16.541 -13.234 1.00 0.00 H new ATOM 841 N PRO B 22 -3.764 18.027 -10.034 1.00 0.00 N ATOM 842 CA PRO B 22 -4.260 18.916 -8.955 1.00 0.00 C ATOM 843 C PRO B 22 -4.415 20.348 -9.474 1.00 0.00 C ATOM 844 O PRO B 22 -4.290 20.607 -10.654 1.00 0.00 O ATOM 845 CB PRO B 22 -3.164 18.841 -7.896 1.00 0.00 C ATOM 846 CG PRO B 22 -1.925 18.466 -8.646 1.00 0.00 C ATOM 847 CD PRO B 22 -2.355 17.663 -9.847 1.00 0.00 C ATOM 0 HA PRO B 22 -5.237 18.621 -8.573 1.00 0.00 H new ATOM 0 HB2 PRO B 22 -3.042 19.796 -7.386 1.00 0.00 H new ATOM 0 HB3 PRO B 22 -3.403 18.100 -7.133 1.00 0.00 H new ATOM 0 HG2 PRO B 22 -1.378 19.357 -8.955 1.00 0.00 H new ATOM 0 HG3 PRO B 22 -1.255 17.884 -8.014 1.00 0.00 H new ATOM 0 HD2 PRO B 22 -1.759 17.910 -10.726 1.00 0.00 H new ATOM 0 HD3 PRO B 22 -2.239 16.593 -9.674 1.00 0.00 H new ATOM 855 N THR B 23 -4.682 21.280 -8.601 1.00 0.00 N ATOM 856 CA THR B 23 -4.840 22.693 -9.047 1.00 0.00 C ATOM 857 C THR B 23 -3.502 23.243 -9.538 1.00 0.00 C ATOM 858 O THR B 23 -3.343 23.589 -10.691 1.00 0.00 O ATOM 859 CB THR B 23 -5.310 23.453 -7.805 1.00 0.00 C ATOM 860 OG1 THR B 23 -6.470 22.823 -7.279 1.00 0.00 O ATOM 861 CG2 THR B 23 -5.638 24.898 -8.183 1.00 0.00 C ATOM 0 H THR B 23 -4.797 21.125 -7.600 1.00 0.00 H new ATOM 0 HA THR B 23 -5.545 22.789 -9.873 1.00 0.00 H new ATOM 0 HB THR B 23 -4.520 23.448 -7.054 1.00 0.00 H new ATOM 0 HG1 THR B 23 -6.772 23.307 -6.482 1.00 0.00 H new ATOM 0 HG21 THR B 23 -5.973 25.439 -7.298 1.00 0.00 H new ATOM 0 HG22 THR B 23 -4.748 25.379 -8.587 1.00 0.00 H new ATOM 0 HG23 THR B 23 -6.428 24.907 -8.934 1.00 0.00 H new ATOM 869 N ASN B 24 -2.540 23.323 -8.667 1.00 0.00 N ATOM 870 CA ASN B 24 -1.203 23.846 -9.071 1.00 0.00 C ATOM 871 C ASN B 24 -0.125 23.353 -8.103 1.00 0.00 C ATOM 872 O ASN B 24 0.948 22.949 -8.506 1.00 0.00 O ATOM 873 CB ASN B 24 -1.335 25.366 -8.996 1.00 0.00 C ATOM 874 CG ASN B 24 -0.318 26.013 -9.937 1.00 0.00 C ATOM 875 OD1 ASN B 24 0.569 25.350 -10.440 1.00 0.00 O ATOM 876 ND2 ASN B 24 -0.406 27.288 -10.200 1.00 0.00 N ATOM 0 H ASN B 24 -2.619 23.048 -7.688 1.00 0.00 H new ATOM 0 HA ASN B 24 -0.912 23.509 -10.066 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -2.345 25.668 -9.272 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -1.169 25.706 -7.974 1.00 0.00 H new ATOM 0 HD21 ASN B 24 0.268 27.727 -10.827 1.00 0.00 H new ATOM 0 HD22 ASN B 24 -1.149 27.845 -9.779 1.00 0.00 H new ATOM 883 N GLU B 25 -0.399 23.386 -6.827 1.00 0.00 N ATOM 884 CA GLU B 25 0.612 22.920 -5.834 1.00 0.00 C ATOM 885 C GLU B 25 0.364 21.452 -5.476 1.00 0.00 C ATOM 886 O GLU B 25 -0.658 20.884 -5.810 1.00 0.00 O ATOM 887 CB GLU B 25 0.404 23.812 -4.611 1.00 0.00 C ATOM 888 CG GLU B 25 1.040 25.181 -4.864 1.00 0.00 C ATOM 889 CD GLU B 25 1.176 25.932 -3.538 1.00 0.00 C ATOM 890 OE1 GLU B 25 1.585 25.314 -2.568 1.00 0.00 O ATOM 891 OE2 GLU B 25 0.868 27.113 -3.514 1.00 0.00 O ATOM 0 H GLU B 25 -1.279 23.715 -6.429 1.00 0.00 H new ATOM 0 HA GLU B 25 1.630 22.985 -6.218 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -0.661 23.926 -4.407 1.00 0.00 H new ATOM 0 HB3 GLU B 25 0.849 23.349 -3.730 1.00 0.00 H new ATOM 0 HG2 GLU B 25 2.019 25.059 -5.327 1.00 0.00 H new ATOM 0 HG3 GLU B 25 0.428 25.756 -5.559 1.00 0.00 H new ATOM 898 N PHE B 26 1.292 20.833 -4.798 1.00 0.00 N ATOM 899 CA PHE B 26 1.109 19.402 -4.420 1.00 0.00 C ATOM 900 C PHE B 26 0.016 19.270 -3.356 1.00 0.00 C ATOM 901 O PHE B 26 0.293 19.090 -2.187 1.00 0.00 O ATOM 902 CB PHE B 26 2.463 18.966 -3.856 1.00 0.00 C ATOM 903 CG PHE B 26 2.372 17.539 -3.371 1.00 0.00 C ATOM 904 CD1 PHE B 26 2.406 16.483 -4.290 1.00 0.00 C ATOM 905 CD2 PHE B 26 2.252 17.273 -2.001 1.00 0.00 C ATOM 906 CE1 PHE B 26 2.321 15.159 -3.840 1.00 0.00 C ATOM 907 CE2 PHE B 26 2.167 15.949 -1.550 1.00 0.00 C ATOM 908 CZ PHE B 26 2.201 14.892 -2.469 1.00 0.00 C ATOM 0 H PHE B 26 2.168 21.255 -4.490 1.00 0.00 H new ATOM 0 HA PHE B 26 0.802 18.787 -5.266 1.00 0.00 H new ATOM 0 HB2 PHE B 26 3.233 19.052 -4.623 1.00 0.00 H new ATOM 0 HB3 PHE B 26 2.755 19.622 -3.036 1.00 0.00 H new ATOM 0 HD1 PHE B 26 2.498 16.689 -5.346 1.00 0.00 H new ATOM 0 HD2 PHE B 26 2.225 18.088 -1.293 1.00 0.00 H new ATOM 0 HE1 PHE B 26 2.348 14.345 -4.549 1.00 0.00 H new ATOM 0 HE2 PHE B 26 2.075 15.743 -0.494 1.00 0.00 H new ATOM 0 HZ PHE B 26 2.135 13.872 -2.121 1.00 0.00 H new ATOM 918 N TYR B 27 -1.225 19.359 -3.752 1.00 0.00 N ATOM 919 CA TYR B 27 -2.335 19.237 -2.763 1.00 0.00 C ATOM 920 C TYR B 27 -2.738 17.769 -2.598 1.00 0.00 C ATOM 921 O TYR B 27 -3.126 17.112 -3.543 1.00 0.00 O ATOM 922 CB TYR B 27 -3.488 20.045 -3.360 1.00 0.00 C ATOM 923 CG TYR B 27 -4.409 20.501 -2.254 1.00 0.00 C ATOM 924 CD1 TYR B 27 -5.198 19.565 -1.571 1.00 0.00 C ATOM 925 CD2 TYR B 27 -4.475 21.858 -1.910 1.00 0.00 C ATOM 926 CE1 TYR B 27 -6.052 19.987 -0.544 1.00 0.00 C ATOM 927 CE2 TYR B 27 -5.329 22.279 -0.883 1.00 0.00 C ATOM 928 CZ TYR B 27 -6.118 21.344 -0.201 1.00 0.00 C ATOM 929 OH TYR B 27 -6.960 21.759 0.812 1.00 0.00 O ATOM 0 H TYR B 27 -1.518 19.511 -4.717 1.00 0.00 H new ATOM 0 HA TYR B 27 -2.050 19.601 -1.776 1.00 0.00 H new ATOM 0 HB2 TYR B 27 -3.099 20.907 -3.903 1.00 0.00 H new ATOM 0 HB3 TYR B 27 -4.038 19.437 -4.079 1.00 0.00 H new ATOM 0 HD1 TYR B 27 -5.147 18.519 -1.836 1.00 0.00 H new ATOM 0 HD2 TYR B 27 -3.867 22.579 -2.437 1.00 0.00 H new ATOM 0 HE1 TYR B 27 -6.660 19.267 -0.017 1.00 0.00 H new ATOM 0 HE2 TYR B 27 -5.379 23.324 -0.617 1.00 0.00 H new ATOM 0 HH TYR B 27 -6.884 22.730 0.923 1.00 0.00 H new ATOM 939 N ALA B 28 -2.649 17.250 -1.404 1.00 0.00 N ATOM 940 CA ALA B 28 -3.028 15.824 -1.182 1.00 0.00 C ATOM 941 C ALA B 28 -3.941 15.705 0.041 1.00 0.00 C ATOM 942 O ALA B 28 -5.139 15.874 -0.121 1.00 0.00 O ATOM 943 CB ALA B 28 -1.707 15.097 -0.938 1.00 0.00 C ATOM 944 OXT ALA B 28 -3.427 15.447 1.116 1.00 0.00 O ATOM 0 H ALA B 28 -2.331 17.750 -0.574 1.00 0.00 H new ATOM 0 HA ALA B 28 -3.573 15.404 -2.027 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -1.901 14.038 -0.766 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -1.063 15.211 -1.810 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -1.214 15.523 -0.064 1.00 0.00 H new TER 950 ALA B 28