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 Set 1.1: B 1 ARG N :NH3+ -166:sc= -0.342 (180deg=-0.541) USER MOD Set 1.2: B 2 MET CE :methyl 155:sc= -0.169 (180deg=0) USER MOD Set 2.1: A 1 ARG N :NH3+ -166:sc= -0.356 (180deg=-0.534) USER MOD Set 2.2: A 2 MET CE :methyl 152:sc= -0.171 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 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= -1.21! USER MOD Single : A 24 ASN : amide:sc= -0.213 K(o=-0.21,f=-3.4!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 SER OG : rot 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 180:sc= 0 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= -1.23! USER MOD Single : B 24 ASN : amide:sc= -0.199 K(o=-0.2,f=-3.3!) USER MOD Single : B 27 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -25.824 -31.325 -29.673 1.00 0.00 N ATOM 2 CA ARG A 1 -25.080 -30.069 -29.371 1.00 0.00 C ATOM 3 C ARG A 1 -24.826 -29.953 -27.865 1.00 0.00 C ATOM 4 O ARG A 1 -25.586 -29.338 -27.144 1.00 0.00 O ATOM 5 CB ARG A 1 -25.995 -28.942 -29.849 1.00 0.00 C ATOM 6 CG ARG A 1 -25.986 -28.891 -31.378 1.00 0.00 C ATOM 7 CD ARG A 1 -27.365 -28.455 -31.883 1.00 0.00 C ATOM 8 NE ARG A 1 -27.104 -27.794 -33.191 1.00 0.00 N ATOM 9 CZ ARG A 1 -28.024 -27.790 -34.115 1.00 0.00 C ATOM 10 NH1 ARG A 1 -29.254 -28.103 -33.812 1.00 0.00 N ATOM 11 NH2 ARG A 1 -27.715 -27.474 -35.343 1.00 0.00 N ATOM 0 H1 ARG A 1 -25.785 -31.515 -30.695 1.00 0.00 H new ATOM 0 H2 ARG A 1 -25.391 -32.117 -29.157 1.00 0.00 H new ATOM 0 H3 ARG A 1 -26.816 -31.220 -29.378 1.00 0.00 H new ATOM 0 HA ARG A 1 -24.106 -30.038 -29.860 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -27.010 -29.104 -29.486 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -25.659 -27.989 -29.441 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -25.223 -28.194 -31.725 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -25.731 -29.870 -31.784 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -28.032 -29.310 -31.999 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -27.843 -27.770 -31.183 1.00 0.00 H new ATOM 0 HE ARG A 1 -26.205 -27.344 -33.365 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -29.496 -28.351 -32.852 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -29.974 -28.100 -34.535 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -26.753 -27.230 -35.580 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -28.435 -27.471 -36.065 1.00 0.00 H new ATOM 27 N MET A 2 -23.763 -30.540 -27.386 1.00 0.00 N ATOM 28 CA MET A 2 -23.462 -30.462 -25.927 1.00 0.00 C ATOM 29 C MET A 2 -21.973 -30.184 -25.709 1.00 0.00 C ATOM 30 O MET A 2 -21.157 -31.084 -25.713 1.00 0.00 O ATOM 31 CB MET A 2 -23.838 -31.836 -25.372 1.00 0.00 C ATOM 32 CG MET A 2 -25.310 -32.124 -25.675 1.00 0.00 C ATOM 33 SD MET A 2 -25.429 -33.493 -26.852 1.00 0.00 S ATOM 34 CE MET A 2 -27.111 -33.152 -27.427 1.00 0.00 C ATOM 0 H MET A 2 -23.090 -31.070 -27.941 1.00 0.00 H new ATOM 0 HA MET A 2 -24.010 -29.659 -25.434 1.00 0.00 H new ATOM 0 HB2 MET A 2 -23.207 -32.605 -25.818 1.00 0.00 H new ATOM 0 HB3 MET A 2 -23.665 -31.865 -24.296 1.00 0.00 H new ATOM 0 HG2 MET A 2 -25.839 -32.374 -24.755 1.00 0.00 H new ATOM 0 HG3 MET A 2 -25.788 -31.235 -26.086 1.00 0.00 H new ATOM 0 HE1 MET A 2 -27.226 -33.513 -28.449 1.00 0.00 H new ATOM 0 HE2 MET A 2 -27.827 -33.659 -26.780 1.00 0.00 H new ATOM 0 HE3 MET A 2 -27.294 -32.078 -27.399 1.00 0.00 H new ATOM 44 N LYS A 3 -21.613 -28.944 -25.518 1.00 0.00 N ATOM 45 CA LYS A 3 -20.176 -28.610 -25.299 1.00 0.00 C ATOM 46 C LYS A 3 -19.976 -28.032 -23.896 1.00 0.00 C ATOM 47 O LYS A 3 -20.838 -27.365 -23.359 1.00 0.00 O ATOM 48 CB LYS A 3 -19.846 -27.562 -26.363 1.00 0.00 C ATOM 49 CG LYS A 3 -19.166 -28.239 -27.553 1.00 0.00 C ATOM 50 CD LYS A 3 -18.396 -27.195 -28.364 1.00 0.00 C ATOM 51 CE LYS A 3 -17.518 -27.898 -29.401 1.00 0.00 C ATOM 52 NZ LYS A 3 -16.937 -26.799 -30.222 1.00 0.00 N ATOM 0 H LYS A 3 -22.251 -28.148 -25.504 1.00 0.00 H new ATOM 0 HA LYS A 3 -19.532 -29.486 -25.376 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -20.757 -27.060 -26.689 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -19.192 -26.797 -25.944 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -18.487 -29.016 -27.203 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -19.911 -28.726 -28.182 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -19.092 -26.519 -28.860 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -17.779 -26.588 -27.702 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -16.737 -28.488 -28.922 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -18.103 -28.582 -30.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -16.321 -27.203 -30.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -17.704 -26.259 -30.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -16.380 -26.167 -29.612 1.00 0.00 H new ATOM 66 N LYS A 4 -18.844 -28.283 -23.296 1.00 0.00 N ATOM 67 CA LYS A 4 -18.589 -27.747 -21.928 1.00 0.00 C ATOM 68 C LYS A 4 -17.146 -27.249 -21.814 1.00 0.00 C ATOM 69 O LYS A 4 -16.477 -27.026 -22.804 1.00 0.00 O ATOM 70 CB LYS A 4 -18.823 -28.931 -20.989 1.00 0.00 C ATOM 71 CG LYS A 4 -20.306 -29.310 -21.005 1.00 0.00 C ATOM 72 CD LYS A 4 -20.444 -30.830 -21.113 1.00 0.00 C ATOM 73 CE LYS A 4 -21.891 -31.188 -21.459 1.00 0.00 C ATOM 74 NZ LYS A 4 -21.987 -32.657 -21.236 1.00 0.00 N ATOM 0 H LYS A 4 -18.085 -28.836 -23.694 1.00 0.00 H new ATOM 0 HA LYS A 4 -19.235 -26.902 -21.689 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -18.216 -29.781 -21.300 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -18.514 -28.672 -19.976 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -20.793 -28.954 -20.097 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -20.806 -28.828 -21.845 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -19.770 -31.213 -21.879 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -20.157 -31.300 -20.172 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -22.594 -30.646 -20.827 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -22.126 -30.929 -22.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -22.952 -32.979 -21.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -21.311 -33.147 -21.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -21.765 -32.873 -20.243 1.00 0.00 H new ATOM 88 N LYS A 5 -16.662 -27.073 -20.616 1.00 0.00 N ATOM 89 CA LYS A 5 -15.262 -26.590 -20.440 1.00 0.00 C ATOM 90 C LYS A 5 -15.099 -25.202 -21.066 1.00 0.00 C ATOM 91 O LYS A 5 -15.790 -24.846 -21.999 1.00 0.00 O ATOM 92 CB LYS A 5 -14.394 -27.614 -21.174 1.00 0.00 C ATOM 93 CG LYS A 5 -14.845 -29.026 -20.799 1.00 0.00 C ATOM 94 CD LYS A 5 -14.623 -29.254 -19.302 1.00 0.00 C ATOM 95 CE LYS A 5 -15.651 -30.260 -18.781 1.00 0.00 C ATOM 96 NZ LYS A 5 -14.903 -31.543 -18.658 1.00 0.00 N ATOM 0 H LYS A 5 -17.175 -27.242 -19.751 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.986 -26.499 -19.390 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -14.474 -27.469 -22.251 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.346 -27.474 -20.911 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -15.898 -29.160 -21.045 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -14.286 -29.763 -21.376 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -13.613 -29.625 -19.126 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -14.715 -28.311 -18.762 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -16.059 -29.947 -17.820 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -16.492 -30.357 -19.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -15.541 -32.285 -18.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -14.532 -31.819 -19.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -14.113 -31.422 -17.993 1.00 0.00 H new ATOM 110 N ASP A 6 -14.190 -24.415 -20.558 1.00 0.00 N ATOM 111 CA ASP A 6 -13.985 -23.051 -21.125 1.00 0.00 C ATOM 112 C ASP A 6 -13.008 -22.258 -20.252 1.00 0.00 C ATOM 113 O ASP A 6 -13.170 -22.161 -19.052 1.00 0.00 O ATOM 114 CB ASP A 6 -15.369 -22.402 -21.107 1.00 0.00 C ATOM 115 CG ASP A 6 -15.798 -22.074 -22.537 1.00 0.00 C ATOM 116 OD1 ASP A 6 -15.698 -22.951 -23.381 1.00 0.00 O ATOM 117 OD2 ASP A 6 -16.222 -20.953 -22.766 1.00 0.00 O ATOM 0 H ASP A 6 -13.581 -24.657 -19.776 1.00 0.00 H new ATOM 0 HA ASP A 6 -13.562 -23.080 -22.129 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -16.092 -23.075 -20.645 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -15.348 -21.494 -20.505 1.00 0.00 H new ATOM 122 N GLU A 7 -11.995 -21.689 -20.847 1.00 0.00 N ATOM 123 CA GLU A 7 -11.009 -20.902 -20.050 1.00 0.00 C ATOM 124 C GLU A 7 -10.323 -19.860 -20.938 1.00 0.00 C ATOM 125 O GLU A 7 -10.305 -19.976 -22.147 1.00 0.00 O ATOM 126 CB GLU A 7 -9.996 -21.931 -19.549 1.00 0.00 C ATOM 127 CG GLU A 7 -10.637 -22.793 -18.459 1.00 0.00 C ATOM 128 CD GLU A 7 -11.208 -21.890 -17.363 1.00 0.00 C ATOM 129 OE1 GLU A 7 -10.614 -20.856 -17.106 1.00 0.00 O ATOM 130 OE2 GLU A 7 -12.228 -22.248 -16.800 1.00 0.00 O ATOM 0 H GLU A 7 -11.807 -21.734 -21.849 1.00 0.00 H new ATOM 0 HA GLU A 7 -11.479 -20.359 -19.230 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.662 -22.560 -20.375 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.114 -21.426 -19.156 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.428 -23.409 -18.886 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.897 -23.473 -18.036 1.00 0.00 H new ATOM 137 N GLY A 8 -9.760 -18.843 -20.347 1.00 0.00 N ATOM 138 CA GLY A 8 -9.076 -17.795 -21.157 1.00 0.00 C ATOM 139 C GLY A 8 -8.295 -16.862 -20.232 1.00 0.00 C ATOM 140 O GLY A 8 -8.343 -15.654 -20.366 1.00 0.00 O ATOM 0 H GLY A 8 -9.744 -18.692 -19.338 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -8.401 -18.259 -21.876 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -9.809 -17.227 -21.729 1.00 0.00 H new ATOM 144 N SER A 9 -7.575 -17.409 -19.290 1.00 0.00 N ATOM 145 CA SER A 9 -6.795 -16.554 -18.356 1.00 0.00 C ATOM 146 C SER A 9 -5.626 -15.893 -19.092 1.00 0.00 C ATOM 147 O SER A 9 -5.708 -15.599 -20.268 1.00 0.00 O ATOM 148 CB SER A 9 -6.279 -17.511 -17.281 1.00 0.00 C ATOM 149 OG SER A 9 -6.356 -16.877 -16.012 1.00 0.00 O ATOM 0 H SER A 9 -7.495 -18.413 -19.128 1.00 0.00 H new ATOM 0 HA SER A 9 -7.397 -15.750 -17.932 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.870 -18.427 -17.279 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.249 -17.796 -17.496 1.00 0.00 H new ATOM 0 HG SER A 9 -6.028 -17.489 -15.320 1.00 0.00 H new ATOM 155 N TYR A 10 -4.539 -15.657 -18.409 1.00 0.00 N ATOM 156 CA TYR A 10 -3.367 -15.016 -19.071 1.00 0.00 C ATOM 157 C TYR A 10 -3.746 -13.624 -19.584 1.00 0.00 C ATOM 158 O TYR A 10 -3.026 -13.017 -20.351 1.00 0.00 O ATOM 159 CB TYR A 10 -3.016 -15.940 -20.238 1.00 0.00 C ATOM 160 CG TYR A 10 -1.652 -15.578 -20.774 1.00 0.00 C ATOM 161 CD1 TYR A 10 -0.501 -15.980 -20.088 1.00 0.00 C ATOM 162 CD2 TYR A 10 -1.540 -14.839 -21.958 1.00 0.00 C ATOM 163 CE1 TYR A 10 0.764 -15.643 -20.586 1.00 0.00 C ATOM 164 CE2 TYR A 10 -0.275 -14.503 -22.455 1.00 0.00 C ATOM 165 CZ TYR A 10 0.878 -14.905 -21.769 1.00 0.00 C ATOM 166 OH TYR A 10 2.124 -14.574 -22.260 1.00 0.00 O ATOM 0 H TYR A 10 -4.412 -15.880 -17.422 1.00 0.00 H new ATOM 0 HA TYR A 10 -2.527 -14.885 -18.388 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -3.025 -16.979 -19.909 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.764 -15.849 -21.026 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.588 -16.550 -19.175 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -2.429 -14.528 -22.487 1.00 0.00 H new ATOM 0 HE1 TYR A 10 1.652 -15.953 -20.056 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.188 -13.933 -23.368 1.00 0.00 H new ATOM 0 HH TYR A 10 2.023 -14.062 -23.089 1.00 0.00 H new ATOM 176 N ASP A 11 -4.873 -13.115 -19.166 1.00 0.00 N ATOM 177 CA ASP A 11 -5.298 -11.767 -19.630 1.00 0.00 C ATOM 178 C ASP A 11 -4.396 -10.687 -19.026 1.00 0.00 C ATOM 179 O ASP A 11 -3.208 -10.880 -18.860 1.00 0.00 O ATOM 180 CB ASP A 11 -6.733 -11.609 -19.128 1.00 0.00 C ATOM 181 CG ASP A 11 -6.742 -11.610 -17.598 1.00 0.00 C ATOM 182 OD1 ASP A 11 -6.118 -12.486 -17.022 1.00 0.00 O ATOM 183 OD2 ASP A 11 -7.373 -10.735 -17.028 1.00 0.00 O ATOM 0 H ASP A 11 -5.517 -13.576 -18.523 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.231 -11.665 -20.713 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -7.161 -10.680 -19.504 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -7.353 -12.421 -19.506 1.00 0.00 H new ATOM 188 N LEU A 12 -4.951 -9.553 -18.695 1.00 0.00 N ATOM 189 CA LEU A 12 -4.124 -8.464 -18.101 1.00 0.00 C ATOM 190 C LEU A 12 -2.955 -8.123 -19.029 1.00 0.00 C ATOM 191 O LEU A 12 -2.608 -8.881 -19.913 1.00 0.00 O ATOM 192 CB LEU A 12 -3.610 -9.033 -16.778 1.00 0.00 C ATOM 193 CG LEU A 12 -4.796 -9.381 -15.877 1.00 0.00 C ATOM 194 CD1 LEU A 12 -4.285 -10.021 -14.585 1.00 0.00 C ATOM 195 CD2 LEU A 12 -5.571 -8.105 -15.541 1.00 0.00 C ATOM 0 H LEU A 12 -5.940 -9.334 -18.810 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.693 -7.546 -17.956 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.007 -9.922 -16.962 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.965 -8.307 -16.284 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.452 -10.081 -16.394 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.130 -10.269 -13.943 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.731 -10.929 -14.823 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.629 -9.321 -14.067 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.417 -8.351 -14.899 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.914 -7.406 -15.024 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.935 -7.648 -16.461 1.00 0.00 H new ATOM 207 N GLY A 13 -2.343 -6.986 -18.834 1.00 0.00 N ATOM 208 CA GLY A 13 -1.199 -6.597 -19.705 1.00 0.00 C ATOM 209 C GLY A 13 0.095 -6.618 -18.889 1.00 0.00 C ATOM 210 O GLY A 13 0.960 -7.444 -19.101 1.00 0.00 O ATOM 0 H GLY A 13 -2.586 -6.311 -18.109 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.121 -7.283 -20.548 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.365 -5.602 -20.118 1.00 0.00 H new ATOM 214 N LYS A 14 0.235 -5.715 -17.956 1.00 0.00 N ATOM 215 CA LYS A 14 1.472 -5.687 -17.126 1.00 0.00 C ATOM 216 C LYS A 14 1.304 -4.716 -15.953 1.00 0.00 C ATOM 217 O LYS A 14 0.771 -5.066 -14.919 1.00 0.00 O ATOM 218 CB LYS A 14 2.576 -5.214 -18.074 1.00 0.00 C ATOM 219 CG LYS A 14 3.284 -6.426 -18.682 1.00 0.00 C ATOM 220 CD LYS A 14 4.784 -6.147 -18.777 1.00 0.00 C ATOM 221 CE LYS A 14 5.175 -5.946 -20.242 1.00 0.00 C ATOM 222 NZ LYS A 14 6.190 -7.001 -20.518 1.00 0.00 N ATOM 0 H LYS A 14 -0.454 -4.996 -17.733 1.00 0.00 H new ATOM 0 HA LYS A 14 1.702 -6.661 -16.693 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.151 -4.595 -18.864 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.292 -4.595 -17.534 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.106 -7.310 -18.069 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.880 -6.638 -19.672 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.037 -5.259 -18.197 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.347 -6.977 -18.350 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.311 -6.048 -20.899 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.586 -4.950 -20.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.507 -6.928 -21.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.004 -6.875 -19.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.769 -7.938 -20.358 1.00 0.00 H new ATOM 236 N LYS A 15 1.753 -3.502 -16.102 1.00 0.00 N ATOM 237 CA LYS A 15 1.617 -2.515 -14.993 1.00 0.00 C ATOM 238 C LYS A 15 1.305 -1.125 -15.555 1.00 0.00 C ATOM 239 O LYS A 15 1.934 -0.682 -16.494 1.00 0.00 O ATOM 240 CB LYS A 15 2.977 -2.517 -14.293 1.00 0.00 C ATOM 241 CG LYS A 15 3.356 -3.950 -13.915 1.00 0.00 C ATOM 242 CD LYS A 15 4.202 -4.565 -15.031 1.00 0.00 C ATOM 243 CE LYS A 15 5.323 -5.407 -14.418 1.00 0.00 C ATOM 244 NZ LYS A 15 4.788 -6.797 -14.390 1.00 0.00 N ATOM 0 H LYS A 15 2.209 -3.149 -16.944 1.00 0.00 H new ATOM 0 HA LYS A 15 0.806 -2.770 -14.311 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.736 -2.090 -14.949 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.939 -1.892 -13.401 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.912 -3.955 -12.978 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.457 -4.545 -13.756 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.578 -5.185 -15.675 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.624 -3.779 -15.657 1.00 0.00 H new ATOM 0 HE2 LYS A 15 6.234 -5.346 -15.014 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.574 -5.060 -13.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.501 -7.435 -13.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.925 -6.825 -13.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.564 -7.102 -15.359 1.00 0.00 H new ATOM 258 N PRO A 16 0.338 -0.484 -14.955 1.00 0.00 N ATOM 259 CA PRO A 16 -0.069 0.873 -15.398 1.00 0.00 C ATOM 260 C PRO A 16 0.988 1.906 -14.998 1.00 0.00 C ATOM 261 O PRO A 16 1.725 1.721 -14.049 1.00 0.00 O ATOM 262 CB PRO A 16 -1.378 1.114 -14.653 1.00 0.00 C ATOM 263 CG PRO A 16 -1.307 0.233 -13.447 1.00 0.00 C ATOM 264 CD PRO A 16 -0.460 -0.957 -13.818 1.00 0.00 C ATOM 0 HA PRO A 16 -0.179 0.957 -16.479 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.484 2.161 -14.370 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.237 0.863 -15.275 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.871 0.769 -12.604 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.304 -0.084 -13.142 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.174 -1.270 -12.988 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.075 -1.815 -14.091 1.00 0.00 H new ATOM 272 N ILE A 17 1.066 2.993 -15.715 1.00 0.00 N ATOM 273 CA ILE A 17 2.072 4.039 -15.380 1.00 0.00 C ATOM 274 C ILE A 17 1.403 5.417 -15.365 1.00 0.00 C ATOM 275 O ILE A 17 0.199 5.530 -15.481 1.00 0.00 O ATOM 276 CB ILE A 17 3.120 3.964 -16.492 1.00 0.00 C ATOM 277 CG1 ILE A 17 3.409 2.500 -16.843 1.00 0.00 C ATOM 278 CG2 ILE A 17 4.413 4.632 -16.024 1.00 0.00 C ATOM 279 CD1 ILE A 17 4.291 2.442 -18.092 1.00 0.00 C ATOM 0 H ILE A 17 0.475 3.202 -16.520 1.00 0.00 H new ATOM 0 HA ILE A 17 2.518 3.884 -14.397 1.00 0.00 H new ATOM 0 HB ILE A 17 2.737 4.478 -17.374 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.907 2.006 -16.009 1.00 0.00 H new ATOM 0 HG13 ILE A 17 2.475 1.965 -17.018 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.158 4.578 -16.817 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.216 5.676 -15.782 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.788 4.119 -15.138 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.498 1.402 -18.343 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.775 2.921 -18.924 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.229 2.962 -17.899 1.00 0.00 H new ATOM 291 N TYR A 18 2.169 6.464 -15.222 1.00 0.00 N ATOM 292 CA TYR A 18 1.568 7.829 -15.203 1.00 0.00 C ATOM 293 C TYR A 18 2.669 8.890 -15.271 1.00 0.00 C ATOM 294 O TYR A 18 2.796 9.724 -14.397 1.00 0.00 O ATOM 295 CB TYR A 18 0.818 7.913 -13.874 1.00 0.00 C ATOM 296 CG TYR A 18 -0.580 8.433 -14.115 1.00 0.00 C ATOM 297 CD1 TYR A 18 -1.313 7.989 -15.222 1.00 0.00 C ATOM 298 CD2 TYR A 18 -1.143 9.360 -13.230 1.00 0.00 C ATOM 299 CE1 TYR A 18 -2.608 8.471 -15.444 1.00 0.00 C ATOM 300 CE2 TYR A 18 -2.438 9.842 -13.452 1.00 0.00 C ATOM 301 CZ TYR A 18 -3.171 9.397 -14.559 1.00 0.00 C ATOM 302 OH TYR A 18 -4.448 9.873 -14.777 1.00 0.00 O ATOM 0 H TYR A 18 3.183 6.434 -15.118 1.00 0.00 H new ATOM 0 HA TYR A 18 0.908 8.004 -16.052 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.776 6.930 -13.406 1.00 0.00 H new ATOM 0 HB3 TYR A 18 1.349 8.571 -13.186 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -0.879 7.274 -15.905 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -0.578 9.703 -12.376 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.173 8.128 -16.298 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.872 10.557 -12.769 1.00 0.00 H new ATOM 0 HH TYR A 18 -4.686 10.507 -14.069 1.00 0.00 H new ATOM 312 N LYS A 19 3.465 8.867 -16.305 1.00 0.00 N ATOM 313 CA LYS A 19 4.557 9.875 -16.429 1.00 0.00 C ATOM 314 C LYS A 19 4.793 10.221 -17.901 1.00 0.00 C ATOM 315 O LYS A 19 5.417 9.478 -18.632 1.00 0.00 O ATOM 316 CB LYS A 19 5.792 9.198 -15.832 1.00 0.00 C ATOM 317 CG LYS A 19 6.792 10.264 -15.382 1.00 0.00 C ATOM 318 CD LYS A 19 6.743 10.401 -13.860 1.00 0.00 C ATOM 319 CE LYS A 19 6.950 11.867 -13.470 1.00 0.00 C ATOM 320 NZ LYS A 19 7.845 11.826 -12.281 1.00 0.00 N ATOM 0 H LYS A 19 3.407 8.194 -17.069 1.00 0.00 H new ATOM 0 HA LYS A 19 4.317 10.808 -15.919 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.504 8.574 -14.986 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.252 8.541 -16.570 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.798 9.991 -15.701 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.557 11.219 -15.851 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.784 10.046 -13.483 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.514 9.780 -13.404 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.402 12.432 -14.285 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.002 12.350 -13.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.033 12.795 -11.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.386 11.287 -11.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.742 11.367 -12.537 1.00 0.00 H new ATOM 334 N LYS A 20 4.297 11.345 -18.342 1.00 0.00 N ATOM 335 CA LYS A 20 4.493 11.737 -19.767 1.00 0.00 C ATOM 336 C LYS A 20 5.987 11.860 -20.082 1.00 0.00 C ATOM 337 O LYS A 20 6.830 11.499 -19.286 1.00 0.00 O ATOM 338 CB LYS A 20 3.803 13.095 -19.903 1.00 0.00 C ATOM 339 CG LYS A 20 2.523 12.938 -20.727 1.00 0.00 C ATOM 340 CD LYS A 20 2.451 14.051 -21.775 1.00 0.00 C ATOM 341 CE LYS A 20 3.207 13.619 -23.032 1.00 0.00 C ATOM 342 NZ LYS A 20 4.024 14.805 -23.416 1.00 0.00 N ATOM 0 H LYS A 20 3.765 12.008 -17.778 1.00 0.00 H new ATOM 0 HA LYS A 20 4.083 11.000 -20.458 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.566 13.495 -18.917 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.472 13.808 -20.384 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.509 11.963 -21.215 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.651 12.981 -20.075 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.411 14.268 -22.020 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.882 14.969 -21.376 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.838 12.752 -22.835 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.519 13.338 -23.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.572 14.586 -24.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.396 15.613 -23.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.674 15.045 -22.640 1.00 0.00 H new ATOM 356 N ALA A 21 6.320 12.368 -21.238 1.00 0.00 N ATOM 357 CA ALA A 21 7.758 12.513 -21.602 1.00 0.00 C ATOM 358 C ALA A 21 8.079 13.977 -21.912 1.00 0.00 C ATOM 359 O ALA A 21 8.537 14.297 -22.991 1.00 0.00 O ATOM 360 CB ALA A 21 7.941 11.647 -22.848 1.00 0.00 C ATOM 0 H ALA A 21 5.659 12.689 -21.945 1.00 0.00 H new ATOM 0 HA ALA A 21 8.422 12.207 -20.794 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.978 11.701 -23.179 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.688 10.613 -22.613 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.287 12.009 -23.642 1.00 0.00 H new ATOM 366 N PRO A 22 7.826 14.819 -20.948 1.00 0.00 N ATOM 367 CA PRO A 22 8.089 16.270 -21.113 1.00 0.00 C ATOM 368 C PRO A 22 9.595 16.548 -21.074 1.00 0.00 C ATOM 369 O PRO A 22 10.404 15.641 -21.088 1.00 0.00 O ATOM 370 CB PRO A 22 7.388 16.899 -19.912 1.00 0.00 C ATOM 371 CG PRO A 22 7.330 15.814 -18.884 1.00 0.00 C ATOM 372 CD PRO A 22 7.276 14.502 -19.626 1.00 0.00 C ATOM 0 HA PRO A 22 7.732 16.666 -22.064 1.00 0.00 H new ATOM 0 HB2 PRO A 22 7.939 17.764 -19.542 1.00 0.00 H new ATOM 0 HB3 PRO A 22 6.389 17.246 -20.176 1.00 0.00 H new ATOM 0 HG2 PRO A 22 8.204 15.853 -18.233 1.00 0.00 H new ATOM 0 HG3 PRO A 22 6.453 15.933 -18.248 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.864 13.734 -19.123 1.00 0.00 H new ATOM 0 HD3 PRO A 22 6.255 14.126 -19.698 1.00 0.00 H new ATOM 380 N THR A 23 9.976 17.795 -21.022 1.00 0.00 N ATOM 381 CA THR A 23 11.425 18.133 -20.979 1.00 0.00 C ATOM 382 C THR A 23 11.614 19.653 -21.009 1.00 0.00 C ATOM 383 O THR A 23 10.884 20.366 -21.669 1.00 0.00 O ATOM 384 CB THR A 23 12.027 17.494 -22.233 1.00 0.00 C ATOM 385 OG1 THR A 23 10.986 17.165 -23.143 1.00 0.00 O ATOM 386 CG2 THR A 23 12.789 16.226 -21.846 1.00 0.00 C ATOM 0 H THR A 23 9.344 18.595 -21.007 1.00 0.00 H new ATOM 0 HA THR A 23 11.904 17.769 -20.070 1.00 0.00 H new ATOM 0 HB THR A 23 12.713 18.197 -22.705 1.00 0.00 H new ATOM 0 HG1 THR A 23 11.371 16.757 -23.947 1.00 0.00 H new ATOM 0 HG21 THR A 23 13.217 15.772 -22.740 1.00 0.00 H new ATOM 0 HG22 THR A 23 13.588 16.480 -21.150 1.00 0.00 H new ATOM 0 HG23 THR A 23 12.106 15.521 -21.373 1.00 0.00 H new ATOM 394 N ASN A 24 12.589 20.153 -20.301 1.00 0.00 N ATOM 395 CA ASN A 24 12.823 21.626 -20.290 1.00 0.00 C ATOM 396 C ASN A 24 14.224 21.943 -20.822 1.00 0.00 C ATOM 397 O ASN A 24 14.997 21.058 -21.127 1.00 0.00 O ATOM 398 CB ASN A 24 12.700 22.036 -18.823 1.00 0.00 C ATOM 399 CG ASN A 24 12.146 23.458 -18.734 1.00 0.00 C ATOM 400 OD1 ASN A 24 11.756 24.035 -19.730 1.00 0.00 O ATOM 401 ND2 ASN A 24 12.094 24.054 -17.573 1.00 0.00 N ATOM 0 H ASN A 24 13.234 19.606 -19.730 1.00 0.00 H new ATOM 0 HA ASN A 24 12.115 22.162 -20.923 1.00 0.00 H new ATOM 0 HB2 ASN A 24 12.043 21.345 -18.295 1.00 0.00 H new ATOM 0 HB3 ASN A 24 13.674 21.983 -18.337 1.00 0.00 H new ATOM 0 HD21 ASN A 24 11.726 25.003 -17.503 1.00 0.00 H new ATOM 0 HD22 ASN A 24 12.421 23.571 -16.736 1.00 0.00 H new ATOM 408 N GLU A 25 14.555 23.200 -20.934 1.00 0.00 N ATOM 409 CA GLU A 25 15.905 23.573 -21.445 1.00 0.00 C ATOM 410 C GLU A 25 16.149 25.072 -21.254 1.00 0.00 C ATOM 411 O GLU A 25 15.722 25.661 -20.280 1.00 0.00 O ATOM 412 CB GLU A 25 15.877 23.219 -22.933 1.00 0.00 C ATOM 413 CG GLU A 25 17.272 22.779 -23.381 1.00 0.00 C ATOM 414 CD GLU A 25 17.145 21.729 -24.487 1.00 0.00 C ATOM 415 OE1 GLU A 25 16.621 22.064 -25.536 1.00 0.00 O ATOM 416 OE2 GLU A 25 17.575 20.610 -24.265 1.00 0.00 O ATOM 0 H GLU A 25 13.950 23.985 -20.694 1.00 0.00 H new ATOM 0 HA GLU A 25 16.704 23.053 -20.917 1.00 0.00 H new ATOM 0 HB2 GLU A 25 15.157 22.421 -23.114 1.00 0.00 H new ATOM 0 HB3 GLU A 25 15.551 24.080 -23.516 1.00 0.00 H new ATOM 0 HG2 GLU A 25 17.837 23.638 -23.743 1.00 0.00 H new ATOM 0 HG3 GLU A 25 17.824 22.368 -22.536 1.00 0.00 H new ATOM 423 N PHE A 26 16.832 25.693 -22.175 1.00 0.00 N ATOM 424 CA PHE A 26 17.103 27.155 -22.045 1.00 0.00 C ATOM 425 C PHE A 26 17.792 27.448 -20.710 1.00 0.00 C ATOM 426 O PHE A 26 17.189 27.369 -19.658 1.00 0.00 O ATOM 427 CB PHE A 26 15.726 27.818 -22.094 1.00 0.00 C ATOM 428 CG PHE A 26 15.885 29.291 -22.384 1.00 0.00 C ATOM 429 CD1 PHE A 26 16.043 29.732 -23.703 1.00 0.00 C ATOM 430 CD2 PHE A 26 15.877 30.215 -21.332 1.00 0.00 C ATOM 431 CE1 PHE A 26 16.192 31.098 -23.971 1.00 0.00 C ATOM 432 CE2 PHE A 26 16.026 31.582 -21.601 1.00 0.00 C ATOM 433 CZ PHE A 26 16.183 32.023 -22.920 1.00 0.00 C ATOM 0 H PHE A 26 17.215 25.253 -23.012 1.00 0.00 H new ATOM 0 HA PHE A 26 17.762 27.525 -22.830 1.00 0.00 H new ATOM 0 HB2 PHE A 26 15.112 27.349 -22.863 1.00 0.00 H new ATOM 0 HB3 PHE A 26 15.209 27.677 -21.145 1.00 0.00 H new ATOM 0 HD1 PHE A 26 16.050 29.019 -24.514 1.00 0.00 H new ATOM 0 HD2 PHE A 26 15.756 29.874 -20.314 1.00 0.00 H new ATOM 0 HE1 PHE A 26 16.314 31.438 -24.989 1.00 0.00 H new ATOM 0 HE2 PHE A 26 16.020 32.296 -20.790 1.00 0.00 H new ATOM 0 HZ PHE A 26 16.297 33.077 -23.127 1.00 0.00 H new ATOM 443 N TYR A 27 19.052 27.787 -20.743 1.00 0.00 N ATOM 444 CA TYR A 27 19.779 28.084 -19.476 1.00 0.00 C ATOM 445 C TYR A 27 19.361 29.455 -18.933 1.00 0.00 C ATOM 446 O TYR A 27 18.228 29.872 -19.075 1.00 0.00 O ATOM 447 CB TYR A 27 21.265 28.069 -19.856 1.00 0.00 C ATOM 448 CG TYR A 27 21.669 29.395 -20.465 1.00 0.00 C ATOM 449 CD1 TYR A 27 20.773 30.102 -21.276 1.00 0.00 C ATOM 450 CD2 TYR A 27 22.946 29.915 -20.213 1.00 0.00 C ATOM 451 CE1 TYR A 27 21.153 31.328 -21.836 1.00 0.00 C ATOM 452 CE2 TYR A 27 23.325 31.141 -20.773 1.00 0.00 C ATOM 453 CZ TYR A 27 22.429 31.847 -21.585 1.00 0.00 C ATOM 454 OH TYR A 27 22.803 33.055 -22.136 1.00 0.00 O ATOM 0 H TYR A 27 19.610 27.871 -21.593 1.00 0.00 H new ATOM 0 HA TYR A 27 19.559 27.360 -18.691 1.00 0.00 H new ATOM 0 HB2 TYR A 27 21.871 27.868 -18.972 1.00 0.00 H new ATOM 0 HB3 TYR A 27 21.457 27.263 -20.564 1.00 0.00 H new ATOM 0 HD1 TYR A 27 19.789 29.702 -21.470 1.00 0.00 H new ATOM 0 HD2 TYR A 27 23.637 29.370 -19.587 1.00 0.00 H new ATOM 0 HE1 TYR A 27 20.462 31.873 -22.462 1.00 0.00 H new ATOM 0 HE2 TYR A 27 24.309 31.542 -20.579 1.00 0.00 H new ATOM 0 HH TYR A 27 23.719 33.270 -21.861 1.00 0.00 H new ATOM 464 N ALA A 28 20.267 30.160 -18.312 1.00 0.00 N ATOM 465 CA ALA A 28 19.921 31.502 -17.761 1.00 0.00 C ATOM 466 C ALA A 28 20.535 32.604 -18.629 1.00 0.00 C ATOM 467 O ALA A 28 19.778 33.363 -19.211 1.00 0.00 O ATOM 468 CB ALA A 28 20.528 31.523 -16.358 1.00 0.00 C ATOM 469 OXT ALA A 28 21.752 32.669 -18.695 1.00 0.00 O ATOM 0 H ALA A 28 21.232 29.865 -18.162 1.00 0.00 H new ATOM 0 HA ALA A 28 18.845 31.676 -17.742 1.00 0.00 H new ATOM 0 HB1 ALA A 28 20.316 32.482 -15.884 1.00 0.00 H new ATOM 0 HB2 ALA A 28 20.095 30.720 -15.762 1.00 0.00 H new ATOM 0 HB3 ALA A 28 21.607 31.383 -16.426 1.00 0.00 H new TER 475 ALA A 28 ATOM 476 N ARG B 1 10.798 -37.620 -0.164 1.00 0.00 N ATOM 477 CA ARG B 1 10.649 -36.213 -0.636 1.00 0.00 C ATOM 478 C ARG B 1 10.428 -36.183 -2.151 1.00 0.00 C ATOM 479 O ARG B 1 11.356 -36.041 -2.921 1.00 0.00 O ATOM 480 CB ARG B 1 11.969 -35.531 -0.273 1.00 0.00 C ATOM 481 CG ARG B 1 12.023 -35.296 1.238 1.00 0.00 C ATOM 482 CD ARG B 1 13.470 -35.429 1.722 1.00 0.00 C ATOM 483 NE ARG B 1 13.549 -34.566 2.934 1.00 0.00 N ATOM 484 CZ ARG B 1 14.409 -34.841 3.875 1.00 0.00 C ATOM 485 NH1 ARG B 1 15.382 -35.679 3.646 1.00 0.00 N ATOM 486 NH2 ARG B 1 14.296 -34.277 5.047 1.00 0.00 N ATOM 0 H1 ARG B 1 10.710 -37.650 0.872 1.00 0.00 H new ATOM 0 H2 ARG B 1 10.056 -38.210 -0.592 1.00 0.00 H new ATOM 0 H3 ARG B 1 11.732 -37.982 -0.442 1.00 0.00 H new ATOM 0 HA ARG B 1 9.794 -35.714 -0.181 1.00 0.00 H new ATOM 0 HB2 ARG B 1 12.809 -36.151 -0.586 1.00 0.00 H new ATOM 0 HB3 ARG B 1 12.058 -34.583 -0.803 1.00 0.00 H new ATOM 0 HG2 ARG B 1 11.638 -34.305 1.477 1.00 0.00 H new ATOM 0 HG3 ARG B 1 11.388 -36.017 1.752 1.00 0.00 H new ATOM 0 HD2 ARG B 1 13.714 -36.465 1.958 1.00 0.00 H new ATOM 0 HD3 ARG B 1 14.174 -35.102 0.957 1.00 0.00 H new ATOM 0 HE ARG B 1 12.931 -33.760 3.028 1.00 0.00 H new ATOM 0 HH11 ARG B 1 15.471 -36.120 2.730 1.00 0.00 H new ATOM 0 HH12 ARG B 1 16.054 -35.894 4.383 1.00 0.00 H new ATOM 0 HH21 ARG B 1 13.535 -33.622 5.226 1.00 0.00 H new ATOM 0 HH22 ARG B 1 14.968 -34.492 5.783 1.00 0.00 H new ATOM 502 N MET B 2 9.204 -36.318 -2.584 1.00 0.00 N ATOM 503 CA MET B 2 8.925 -36.298 -4.049 1.00 0.00 C ATOM 504 C MET B 2 7.689 -35.444 -4.340 1.00 0.00 C ATOM 505 O MET B 2 6.568 -35.905 -4.250 1.00 0.00 O ATOM 506 CB MET B 2 8.669 -37.758 -4.423 1.00 0.00 C ATOM 507 CG MET B 2 9.888 -38.603 -4.049 1.00 0.00 C ATOM 508 SD MET B 2 9.446 -39.739 -2.712 1.00 0.00 S ATOM 509 CE MET B 2 11.129 -40.077 -2.136 1.00 0.00 C ATOM 0 H MET B 2 8.386 -36.441 -1.988 1.00 0.00 H new ATOM 0 HA MET B 2 9.748 -35.869 -4.621 1.00 0.00 H new ATOM 0 HB2 MET B 2 7.784 -38.127 -3.904 1.00 0.00 H new ATOM 0 HB3 MET B 2 8.470 -37.841 -5.491 1.00 0.00 H new ATOM 0 HG2 MET B 2 10.236 -39.163 -4.917 1.00 0.00 H new ATOM 0 HG3 MET B 2 10.709 -37.958 -3.736 1.00 0.00 H new ATOM 0 HE1 MET B 2 11.102 -40.378 -1.089 1.00 0.00 H new ATOM 0 HE2 MET B 2 11.564 -40.879 -2.733 1.00 0.00 H new ATOM 0 HE3 MET B 2 11.736 -39.178 -2.240 1.00 0.00 H new ATOM 519 N LYS B 3 7.883 -34.202 -4.689 1.00 0.00 N ATOM 520 CA LYS B 3 6.718 -33.319 -4.986 1.00 0.00 C ATOM 521 C LYS B 3 6.743 -32.885 -6.454 1.00 0.00 C ATOM 522 O LYS B 3 7.793 -32.717 -7.043 1.00 0.00 O ATOM 523 CB LYS B 3 6.893 -32.110 -4.066 1.00 0.00 C ATOM 524 CG LYS B 3 6.020 -32.285 -2.821 1.00 0.00 C ATOM 525 CD LYS B 3 5.789 -30.923 -2.165 1.00 0.00 C ATOM 526 CE LYS B 3 4.723 -31.057 -1.074 1.00 0.00 C ATOM 527 NZ LYS B 3 4.687 -29.725 -0.408 1.00 0.00 N ATOM 0 H LYS B 3 8.797 -33.760 -4.782 1.00 0.00 H new ATOM 0 HA LYS B 3 5.766 -33.823 -4.821 1.00 0.00 H new ATOM 0 HB2 LYS B 3 7.939 -32.007 -3.778 1.00 0.00 H new ATOM 0 HB3 LYS B 3 6.616 -31.196 -4.592 1.00 0.00 H new ATOM 0 HG2 LYS B 3 5.066 -32.736 -3.093 1.00 0.00 H new ATOM 0 HG3 LYS B 3 6.503 -32.962 -2.117 1.00 0.00 H new ATOM 0 HD2 LYS B 3 6.719 -30.552 -1.736 1.00 0.00 H new ATOM 0 HD3 LYS B 3 5.470 -30.197 -2.913 1.00 0.00 H new ATOM 0 HE2 LYS B 3 3.752 -31.313 -1.499 1.00 0.00 H new ATOM 0 HE3 LYS B 3 4.979 -31.846 -0.366 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 3.979 -29.737 0.353 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 5.623 -29.512 -0.007 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 4.434 -28.995 -1.105 1.00 0.00 H new ATOM 541 N LYS B 4 5.596 -32.702 -7.049 1.00 0.00 N ATOM 542 CA LYS B 4 5.556 -32.280 -8.479 1.00 0.00 C ATOM 543 C LYS B 4 4.456 -31.235 -8.690 1.00 0.00 C ATOM 544 O LYS B 4 3.972 -30.632 -7.754 1.00 0.00 O ATOM 545 CB LYS B 4 5.241 -33.556 -9.259 1.00 0.00 C ATOM 546 CG LYS B 4 6.423 -34.523 -9.159 1.00 0.00 C ATOM 547 CD LYS B 4 5.907 -35.932 -8.863 1.00 0.00 C ATOM 548 CE LYS B 4 7.075 -36.824 -8.438 1.00 0.00 C ATOM 549 NZ LYS B 4 6.532 -38.211 -8.479 1.00 0.00 N ATOM 0 H LYS B 4 4.685 -32.826 -6.607 1.00 0.00 H new ATOM 0 HA LYS B 4 6.492 -31.826 -8.803 1.00 0.00 H new ATOM 0 HB2 LYS B 4 4.340 -34.024 -8.862 1.00 0.00 H new ATOM 0 HB3 LYS B 4 5.042 -33.316 -10.303 1.00 0.00 H new ATOM 0 HG2 LYS B 4 6.989 -34.520 -10.091 1.00 0.00 H new ATOM 0 HG3 LYS B 4 7.104 -34.201 -8.371 1.00 0.00 H new ATOM 0 HD2 LYS B 4 5.156 -35.897 -8.074 1.00 0.00 H new ATOM 0 HD3 LYS B 4 5.422 -36.346 -9.747 1.00 0.00 H new ATOM 0 HE2 LYS B 4 7.924 -36.712 -9.113 1.00 0.00 H new ATOM 0 HE3 LYS B 4 7.426 -36.566 -7.439 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 7.275 -38.883 -8.200 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 5.729 -38.289 -7.822 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 6.212 -38.430 -9.444 1.00 0.00 H new ATOM 563 N LYS B 5 4.060 -31.018 -9.914 1.00 0.00 N ATOM 564 CA LYS B 5 2.993 -30.012 -10.184 1.00 0.00 C ATOM 565 C LYS B 5 3.451 -28.621 -9.736 1.00 0.00 C ATOM 566 O LYS B 5 4.253 -28.481 -8.835 1.00 0.00 O ATOM 567 CB LYS B 5 1.794 -30.474 -9.356 1.00 0.00 C ATOM 568 CG LYS B 5 1.593 -31.979 -9.545 1.00 0.00 C ATOM 569 CD LYS B 5 1.255 -32.270 -11.009 1.00 0.00 C ATOM 570 CE LYS B 5 1.745 -33.673 -11.377 1.00 0.00 C ATOM 571 NZ LYS B 5 0.520 -34.521 -11.363 1.00 0.00 N ATOM 0 H LYS B 5 4.428 -31.493 -10.738 1.00 0.00 H new ATOM 0 HA LYS B 5 2.752 -29.940 -11.245 1.00 0.00 H new ATOM 0 HB2 LYS B 5 1.957 -30.248 -8.302 1.00 0.00 H new ATOM 0 HB3 LYS B 5 0.897 -29.935 -9.663 1.00 0.00 H new ATOM 0 HG2 LYS B 5 2.496 -32.516 -9.256 1.00 0.00 H new ATOM 0 HG3 LYS B 5 0.790 -32.333 -8.898 1.00 0.00 H new ATOM 0 HD2 LYS B 5 0.179 -32.196 -11.166 1.00 0.00 H new ATOM 0 HD3 LYS B 5 1.724 -31.528 -11.656 1.00 0.00 H new ATOM 0 HE2 LYS B 5 2.220 -33.681 -12.358 1.00 0.00 H new ATOM 0 HE3 LYS B 5 2.484 -34.034 -10.662 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 0.773 -35.500 -11.606 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 0.093 -34.499 -10.415 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -0.162 -34.157 -12.058 1.00 0.00 H new ATOM 585 N ASP B 6 2.948 -27.591 -10.360 1.00 0.00 N ATOM 586 CA ASP B 6 3.355 -26.211 -9.969 1.00 0.00 C ATOM 587 C ASP B 6 2.783 -25.191 -10.957 1.00 0.00 C ATOM 588 O ASP B 6 2.938 -25.318 -12.156 1.00 0.00 O ATOM 589 CB ASP B 6 4.882 -26.217 -10.028 1.00 0.00 C ATOM 590 CG ASP B 6 5.450 -25.932 -8.636 1.00 0.00 C ATOM 591 OD1 ASP B 6 5.009 -26.573 -7.696 1.00 0.00 O ATOM 592 OD2 ASP B 6 6.314 -25.077 -8.534 1.00 0.00 O ATOM 0 H ASP B 6 2.273 -27.645 -11.123 1.00 0.00 H new ATOM 0 HA ASP B 6 2.987 -25.936 -8.981 1.00 0.00 H new ATOM 0 HB2 ASP B 6 5.238 -27.183 -10.387 1.00 0.00 H new ATOM 0 HB3 ASP B 6 5.232 -25.465 -10.736 1.00 0.00 H new ATOM 597 N GLU B 7 2.124 -24.178 -10.464 1.00 0.00 N ATOM 598 CA GLU B 7 1.543 -23.152 -11.376 1.00 0.00 C ATOM 599 C GLU B 7 1.387 -21.817 -10.640 1.00 0.00 C ATOM 600 O GLU B 7 1.354 -21.768 -9.427 1.00 0.00 O ATOM 601 CB GLU B 7 0.175 -23.705 -11.777 1.00 0.00 C ATOM 602 CG GLU B 7 0.362 -24.883 -12.735 1.00 0.00 C ATOM 603 CD GLU B 7 1.231 -24.447 -13.916 1.00 0.00 C ATOM 604 OE1 GLU B 7 1.124 -23.298 -14.313 1.00 0.00 O ATOM 605 OE2 GLU B 7 1.988 -25.270 -14.405 1.00 0.00 O ATOM 0 H GLU B 7 1.963 -24.017 -9.470 1.00 0.00 H new ATOM 0 HA GLU B 7 2.177 -22.965 -12.243 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -0.373 -24.026 -10.891 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -0.419 -22.925 -12.254 1.00 0.00 H new ATOM 0 HG2 GLU B 7 0.830 -25.718 -12.214 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -0.607 -25.233 -13.092 1.00 0.00 H new ATOM 612 N GLY B 8 1.292 -20.737 -11.365 1.00 0.00 N ATOM 613 CA GLY B 8 1.139 -19.408 -10.706 1.00 0.00 C ATOM 614 C GLY B 8 0.801 -18.351 -11.759 1.00 0.00 C ATOM 615 O GLY B 8 1.361 -17.272 -11.770 1.00 0.00 O ATOM 0 H GLY B 8 1.314 -20.716 -12.385 1.00 0.00 H new ATOM 0 HA2 GLY B 8 0.351 -19.452 -9.954 1.00 0.00 H new ATOM 0 HA3 GLY B 8 2.060 -19.139 -10.188 1.00 0.00 H new ATOM 619 N SER B 9 -0.107 -18.652 -12.646 1.00 0.00 N ATOM 620 CA SER B 9 -0.477 -17.667 -13.698 1.00 0.00 C ATOM 621 C SER B 9 -1.235 -16.490 -13.079 1.00 0.00 C ATOM 622 O SER B 9 -1.004 -16.118 -11.945 1.00 0.00 O ATOM 623 CB SER B 9 -1.379 -18.438 -14.661 1.00 0.00 C ATOM 624 OG SER B 9 -1.074 -18.055 -15.997 1.00 0.00 O ATOM 0 H SER B 9 -0.609 -19.539 -12.687 1.00 0.00 H new ATOM 0 HA SER B 9 0.397 -17.252 -14.200 1.00 0.00 H new ATOM 0 HB2 SER B 9 -1.232 -19.511 -14.535 1.00 0.00 H new ATOM 0 HB3 SER B 9 -2.426 -18.231 -14.441 1.00 0.00 H new ATOM 0 HG SER B 9 -1.649 -18.549 -16.618 1.00 0.00 H new ATOM 630 N TYR B 10 -2.137 -15.901 -13.815 1.00 0.00 N ATOM 631 CA TYR B 10 -2.908 -14.748 -13.268 1.00 0.00 C ATOM 632 C TYR B 10 -1.962 -13.597 -12.918 1.00 0.00 C ATOM 633 O TYR B 10 -2.337 -12.654 -12.248 1.00 0.00 O ATOM 634 CB TYR B 10 -3.587 -15.287 -12.008 1.00 0.00 C ATOM 635 CG TYR B 10 -4.653 -14.319 -11.556 1.00 0.00 C ATOM 636 CD1 TYR B 10 -5.885 -14.275 -12.220 1.00 0.00 C ATOM 637 CD2 TYR B 10 -4.411 -13.465 -10.473 1.00 0.00 C ATOM 638 CE1 TYR B 10 -6.874 -13.377 -11.801 1.00 0.00 C ATOM 639 CE2 TYR B 10 -5.399 -12.567 -10.054 1.00 0.00 C ATOM 640 CZ TYR B 10 -6.632 -12.523 -10.718 1.00 0.00 C ATOM 641 OH TYR B 10 -7.607 -11.638 -10.305 1.00 0.00 O ATOM 0 H TYR B 10 -2.374 -16.168 -14.771 1.00 0.00 H new ATOM 0 HA TYR B 10 -3.631 -14.357 -13.985 1.00 0.00 H new ATOM 0 HB2 TYR B 10 -4.029 -16.263 -12.210 1.00 0.00 H new ATOM 0 HB3 TYR B 10 -2.850 -15.428 -11.217 1.00 0.00 H new ATOM 0 HD1 TYR B 10 -6.072 -14.934 -13.055 1.00 0.00 H new ATOM 0 HD2 TYR B 10 -3.461 -13.499 -9.961 1.00 0.00 H new ATOM 0 HE1 TYR B 10 -7.824 -13.343 -12.313 1.00 0.00 H new ATOM 0 HE2 TYR B 10 -5.211 -11.908 -9.219 1.00 0.00 H new ATOM 0 HH TYR B 10 -7.277 -11.121 -9.541 1.00 0.00 H new ATOM 651 N ASP B 11 -0.738 -13.667 -13.361 1.00 0.00 N ATOM 652 CA ASP B 11 0.232 -12.581 -13.053 1.00 0.00 C ATOM 653 C ASP B 11 -0.144 -11.304 -13.808 1.00 0.00 C ATOM 654 O ASP B 11 -1.307 -10.993 -13.982 1.00 0.00 O ATOM 655 CB ASP B 11 1.585 -13.110 -13.532 1.00 0.00 C ATOM 656 CG ASP B 11 1.551 -13.300 -15.050 1.00 0.00 C ATOM 657 OD1 ASP B 11 0.599 -13.891 -15.532 1.00 0.00 O ATOM 658 OD2 ASP B 11 2.476 -12.851 -15.704 1.00 0.00 O ATOM 0 H ASP B 11 -0.367 -14.432 -13.925 1.00 0.00 H new ATOM 0 HA ASP B 11 0.246 -12.329 -11.993 1.00 0.00 H new ATOM 0 HB2 ASP B 11 2.377 -12.412 -13.260 1.00 0.00 H new ATOM 0 HB3 ASP B 11 1.812 -14.057 -13.041 1.00 0.00 H new ATOM 663 N LEU B 12 0.830 -10.561 -14.259 1.00 0.00 N ATOM 664 CA LEU B 12 0.526 -9.305 -15.003 1.00 0.00 C ATOM 665 C LEU B 12 -0.363 -8.390 -14.155 1.00 0.00 C ATOM 666 O LEU B 12 -0.973 -8.817 -13.196 1.00 0.00 O ATOM 667 CB LEU B 12 -0.215 -9.758 -16.261 1.00 0.00 C ATOM 668 CG LEU B 12 0.686 -10.682 -17.081 1.00 0.00 C ATOM 669 CD1 LEU B 12 -0.082 -11.197 -18.299 1.00 0.00 C ATOM 670 CD2 LEU B 12 1.920 -9.906 -17.547 1.00 0.00 C ATOM 0 H LEU B 12 1.822 -10.769 -14.145 1.00 0.00 H new ATOM 0 HA LEU B 12 1.426 -8.739 -15.243 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -1.133 -10.278 -15.987 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -0.504 -8.892 -16.857 1.00 0.00 H new ATOM 0 HG LEU B 12 0.997 -11.526 -16.466 1.00 0.00 H new ATOM 0 HD11 LEU B 12 0.561 -11.856 -18.883 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -0.962 -11.749 -17.968 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -0.394 -10.354 -18.916 1.00 0.00 H new ATOM 0 HD21 LEU B 12 2.564 -10.563 -18.132 1.00 0.00 H new ATOM 0 HD22 LEU B 12 1.608 -9.062 -18.162 1.00 0.00 H new ATOM 0 HD23 LEU B 12 2.468 -9.539 -16.679 1.00 0.00 H new ATOM 682 N GLY B 13 -0.440 -7.135 -14.502 1.00 0.00 N ATOM 683 CA GLY B 13 -1.288 -6.195 -13.716 1.00 0.00 C ATOM 684 C GLY B 13 -2.489 -5.765 -14.559 1.00 0.00 C ATOM 685 O GLY B 13 -3.617 -6.115 -14.272 1.00 0.00 O ATOM 0 H GLY B 13 0.048 -6.720 -15.296 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -1.628 -6.675 -12.798 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -0.705 -5.322 -13.422 1.00 0.00 H new ATOM 689 N LYS B 14 -2.259 -5.008 -15.598 1.00 0.00 N ATOM 690 CA LYS B 14 -3.389 -4.558 -16.458 1.00 0.00 C ATOM 691 C LYS B 14 -2.857 -3.900 -17.735 1.00 0.00 C ATOM 692 O LYS B 14 -2.552 -4.566 -18.705 1.00 0.00 O ATOM 693 CB LYS B 14 -4.162 -3.551 -15.605 1.00 0.00 C ATOM 694 CG LYS B 14 -5.301 -4.267 -14.874 1.00 0.00 C ATOM 695 CD LYS B 14 -6.539 -3.369 -14.855 1.00 0.00 C ATOM 696 CE LYS B 14 -6.768 -2.844 -13.435 1.00 0.00 C ATOM 697 NZ LYS B 14 -8.126 -3.328 -13.062 1.00 0.00 N ATOM 0 H LYS B 14 -1.337 -4.682 -15.888 1.00 0.00 H new ATOM 0 HA LYS B 14 -4.022 -5.386 -16.776 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -3.493 -3.080 -14.885 1.00 0.00 H new ATOM 0 HB3 LYS B 14 -4.563 -2.757 -16.235 1.00 0.00 H new ATOM 0 HG2 LYS B 14 -5.530 -5.210 -15.371 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -4.998 -4.509 -13.855 1.00 0.00 H new ATOM 0 HD2 LYS B 14 -6.407 -2.536 -15.545 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -7.412 -3.928 -15.193 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -6.011 -3.222 -12.747 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -6.714 -1.756 -13.403 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -8.356 -3.008 -12.100 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -8.826 -2.947 -13.730 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 -8.145 -4.367 -13.095 1.00 0.00 H new ATOM 711 N LYS B 15 -2.745 -2.602 -17.746 1.00 0.00 N ATOM 712 CA LYS B 15 -2.234 -1.908 -18.963 1.00 0.00 C ATOM 713 C LYS B 15 -1.347 -0.725 -18.566 1.00 0.00 C ATOM 714 O LYS B 15 -1.703 0.053 -17.704 1.00 0.00 O ATOM 715 CB LYS B 15 -3.485 -1.419 -19.694 1.00 0.00 C ATOM 716 CG LYS B 15 -4.446 -2.590 -19.906 1.00 0.00 C ATOM 717 CD LYS B 15 -5.442 -2.649 -18.747 1.00 0.00 C ATOM 718 CE LYS B 15 -6.831 -3.004 -19.284 1.00 0.00 C ATOM 719 NZ LYS B 15 -6.936 -4.481 -19.127 1.00 0.00 N ATOM 0 H LYS B 15 -2.985 -1.990 -16.966 1.00 0.00 H new ATOM 0 HA LYS B 15 -1.627 -2.563 -19.587 1.00 0.00 H new ATOM 0 HB2 LYS B 15 -3.973 -0.635 -19.115 1.00 0.00 H new ATOM 0 HB3 LYS B 15 -3.210 -0.983 -20.654 1.00 0.00 H new ATOM 0 HG2 LYS B 15 -4.977 -2.472 -20.850 1.00 0.00 H new ATOM 0 HG3 LYS B 15 -3.889 -3.525 -19.969 1.00 0.00 H new ATOM 0 HD2 LYS B 15 -5.122 -3.392 -18.016 1.00 0.00 H new ATOM 0 HD3 LYS B 15 -5.474 -1.689 -18.232 1.00 0.00 H new ATOM 0 HE2 LYS B 15 -7.614 -2.491 -18.725 1.00 0.00 H new ATOM 0 HE3 LYS B 15 -6.938 -2.709 -20.328 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 -7.862 -4.802 -19.474 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 -6.182 -4.943 -19.675 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 -6.837 -4.731 -18.122 1.00 0.00 H new ATOM 733 N PRO B 16 -0.217 -0.632 -19.213 1.00 0.00 N ATOM 734 CA PRO B 16 0.738 0.467 -18.926 1.00 0.00 C ATOM 735 C PRO B 16 0.209 1.794 -19.477 1.00 0.00 C ATOM 736 O PRO B 16 -0.562 1.826 -20.415 1.00 0.00 O ATOM 737 CB PRO B 16 2.006 0.039 -19.659 1.00 0.00 C ATOM 738 CG PRO B 16 1.536 -0.867 -20.751 1.00 0.00 C ATOM 739 CD PRO B 16 0.275 -1.532 -20.262 1.00 0.00 C ATOM 0 HA PRO B 16 0.901 0.626 -17.860 1.00 0.00 H new ATOM 0 HB2 PRO B 16 2.538 0.900 -20.063 1.00 0.00 H new ATOM 0 HB3 PRO B 16 2.695 -0.475 -18.989 1.00 0.00 H new ATOM 0 HG2 PRO B 16 1.345 -0.303 -21.664 1.00 0.00 H new ATOM 0 HG3 PRO B 16 2.297 -1.611 -20.989 1.00 0.00 H new ATOM 0 HD2 PRO B 16 -0.454 -1.645 -21.065 1.00 0.00 H new ATOM 0 HD3 PRO B 16 0.476 -2.529 -19.871 1.00 0.00 H new ATOM 747 N ILE B 17 0.618 2.889 -18.899 1.00 0.00 N ATOM 748 CA ILE B 17 0.141 4.215 -19.385 1.00 0.00 C ATOM 749 C ILE B 17 1.331 5.166 -19.549 1.00 0.00 C ATOM 750 O ILE B 17 2.471 4.772 -19.415 1.00 0.00 O ATOM 751 CB ILE B 17 -0.809 4.725 -18.300 1.00 0.00 C ATOM 752 CG1 ILE B 17 -1.682 3.577 -17.783 1.00 0.00 C ATOM 753 CG2 ILE B 17 -1.710 5.817 -18.881 1.00 0.00 C ATOM 754 CD1 ILE B 17 -2.471 4.049 -16.562 1.00 0.00 C ATOM 0 H ILE B 17 1.263 2.923 -18.110 1.00 0.00 H new ATOM 0 HA ILE B 17 -0.355 4.148 -20.353 1.00 0.00 H new ATOM 0 HB ILE B 17 -0.220 5.129 -17.477 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -2.365 3.244 -18.565 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -1.059 2.722 -17.519 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -2.387 6.180 -18.107 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -1.096 6.642 -19.242 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -2.290 5.408 -19.708 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -3.093 3.233 -16.193 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -1.779 4.360 -15.780 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -3.105 4.890 -16.841 1.00 0.00 H new ATOM 766 N TYR B 18 1.077 6.413 -19.837 1.00 0.00 N ATOM 767 CA TYR B 18 2.198 7.381 -20.006 1.00 0.00 C ATOM 768 C TYR B 18 1.654 8.809 -20.097 1.00 0.00 C ATOM 769 O TYR B 18 1.869 9.505 -21.070 1.00 0.00 O ATOM 770 CB TYR B 18 2.878 6.979 -21.315 1.00 0.00 C ATOM 771 CG TYR B 18 4.370 6.882 -21.101 1.00 0.00 C ATOM 772 CD1 TYR B 18 4.875 6.306 -19.929 1.00 0.00 C ATOM 773 CD2 TYR B 18 5.249 7.369 -22.076 1.00 0.00 C ATOM 774 CE1 TYR B 18 6.259 6.217 -19.732 1.00 0.00 C ATOM 775 CE2 TYR B 18 6.632 7.279 -21.880 1.00 0.00 C ATOM 776 CZ TYR B 18 7.137 6.703 -20.707 1.00 0.00 C ATOM 777 OH TYR B 18 8.500 6.615 -20.514 1.00 0.00 O ATOM 0 H TYR B 18 0.143 6.803 -19.963 1.00 0.00 H new ATOM 0 HA TYR B 18 2.892 7.359 -19.166 1.00 0.00 H new ATOM 0 HB2 TYR B 18 2.487 6.022 -21.661 1.00 0.00 H new ATOM 0 HB3 TYR B 18 2.658 7.712 -22.091 1.00 0.00 H new ATOM 0 HD1 TYR B 18 4.197 5.930 -19.177 1.00 0.00 H new ATOM 0 HD2 TYR B 18 4.860 7.814 -22.980 1.00 0.00 H new ATOM 0 HE1 TYR B 18 6.648 5.773 -18.828 1.00 0.00 H new ATOM 0 HE2 TYR B 18 7.310 7.654 -22.633 1.00 0.00 H new ATOM 0 HH TYR B 18 8.965 6.998 -21.287 1.00 0.00 H new ATOM 787 N LYS B 19 0.951 9.250 -19.090 1.00 0.00 N ATOM 788 CA LYS B 19 0.393 10.633 -19.119 1.00 0.00 C ATOM 789 C LYS B 19 0.366 11.222 -17.706 1.00 0.00 C ATOM 790 O LYS B 19 -0.495 10.908 -16.908 1.00 0.00 O ATOM 791 CB LYS B 19 -1.027 10.476 -19.662 1.00 0.00 C ATOM 792 CG LYS B 19 -1.494 11.802 -20.264 1.00 0.00 C ATOM 793 CD LYS B 19 -1.432 11.720 -21.791 1.00 0.00 C ATOM 794 CE LYS B 19 -1.009 13.076 -22.360 1.00 0.00 C ATOM 795 NZ LYS B 19 -1.869 13.275 -23.559 1.00 0.00 N ATOM 0 H LYS B 19 0.739 8.714 -18.249 1.00 0.00 H new ATOM 0 HA LYS B 19 0.991 11.307 -19.732 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -1.053 9.692 -20.419 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -1.702 10.170 -18.862 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -2.512 12.021 -19.942 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -0.865 12.617 -19.907 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -0.724 10.949 -22.096 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -2.405 11.434 -22.190 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -1.157 13.873 -21.632 1.00 0.00 H new ATOM 0 HE3 LYS B 19 0.048 13.080 -22.627 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -1.638 14.186 -24.005 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -1.702 12.505 -24.238 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -2.869 13.274 -23.273 1.00 0.00 H new ATOM 809 N LYS B 20 1.303 12.074 -17.391 1.00 0.00 N ATOM 810 CA LYS B 20 1.330 12.682 -16.030 1.00 0.00 C ATOM 811 C LYS B 20 0.039 13.464 -15.773 1.00 0.00 C ATOM 812 O LYS B 20 -0.900 13.400 -16.542 1.00 0.00 O ATOM 813 CB LYS B 20 2.534 13.625 -16.042 1.00 0.00 C ATOM 814 CG LYS B 20 3.649 13.042 -15.169 1.00 0.00 C ATOM 815 CD LYS B 20 4.214 14.137 -14.263 1.00 0.00 C ATOM 816 CE LYS B 20 3.380 14.222 -12.983 1.00 0.00 C ATOM 817 NZ LYS B 20 3.154 15.678 -12.768 1.00 0.00 N ATOM 0 H LYS B 20 2.050 12.375 -18.016 1.00 0.00 H new ATOM 0 HA LYS B 20 1.407 11.931 -15.244 1.00 0.00 H new ATOM 0 HB2 LYS B 20 2.891 13.763 -17.063 1.00 0.00 H new ATOM 0 HB3 LYS B 20 2.243 14.608 -15.671 1.00 0.00 H new ATOM 0 HG2 LYS B 20 3.261 12.221 -14.566 1.00 0.00 H new ATOM 0 HG3 LYS B 20 4.440 12.631 -15.797 1.00 0.00 H new ATOM 0 HD2 LYS B 20 5.254 13.921 -14.018 1.00 0.00 H new ATOM 0 HD3 LYS B 20 4.202 15.095 -14.782 1.00 0.00 H new ATOM 0 HE2 LYS B 20 2.436 13.687 -13.090 1.00 0.00 H new ATOM 0 HE3 LYS B 20 3.905 13.775 -12.139 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 2.588 15.818 -11.907 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 4.070 16.160 -12.663 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 2.646 16.075 -13.584 1.00 0.00 H new ATOM 831 N ALA B 21 -0.016 14.200 -14.696 1.00 0.00 N ATOM 832 CA ALA B 21 -1.248 14.984 -14.392 1.00 0.00 C ATOM 833 C ALA B 21 -0.909 16.473 -14.269 1.00 0.00 C ATOM 834 O ALA B 21 -1.159 17.084 -13.250 1.00 0.00 O ATOM 835 CB ALA B 21 -1.746 14.435 -13.055 1.00 0.00 C ATOM 0 H ALA B 21 0.737 14.292 -14.014 1.00 0.00 H new ATOM 0 HA ALA B 21 -2.000 14.893 -15.175 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -2.653 14.962 -12.761 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -1.961 13.371 -13.156 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -0.979 14.580 -12.294 1.00 0.00 H new ATOM 841 N PRO B 22 -0.349 17.004 -15.322 1.00 0.00 N ATOM 842 CA PRO B 22 0.032 18.438 -15.341 1.00 0.00 C ATOM 843 C PRO B 22 -1.215 19.320 -15.455 1.00 0.00 C ATOM 844 O PRO B 22 -2.330 18.851 -15.353 1.00 0.00 O ATOM 845 CB PRO B 22 0.900 18.560 -16.590 1.00 0.00 C ATOM 846 CG PRO B 22 0.465 17.436 -17.477 1.00 0.00 C ATOM 847 CD PRO B 22 -0.021 16.326 -16.581 1.00 0.00 C ATOM 0 HA PRO B 22 0.548 18.757 -14.436 1.00 0.00 H new ATOM 0 HB2 PRO B 22 0.757 19.525 -17.077 1.00 0.00 H new ATOM 0 HB3 PRO B 22 1.959 18.481 -16.344 1.00 0.00 H new ATOM 0 HG2 PRO B 22 -0.327 17.762 -18.151 1.00 0.00 H new ATOM 0 HG3 PRO B 22 1.292 17.094 -18.099 1.00 0.00 H new ATOM 0 HD2 PRO B 22 -0.892 15.825 -17.003 1.00 0.00 H new ATOM 0 HD3 PRO B 22 0.746 15.565 -16.437 1.00 0.00 H new ATOM 855 N THR B 23 -1.033 20.596 -15.667 1.00 0.00 N ATOM 856 CA THR B 23 -2.203 21.508 -15.790 1.00 0.00 C ATOM 857 C THR B 23 -1.729 22.955 -15.949 1.00 0.00 C ATOM 858 O THR B 23 -0.747 23.366 -15.361 1.00 0.00 O ATOM 859 CB THR B 23 -2.984 21.340 -14.485 1.00 0.00 C ATOM 860 OG1 THR B 23 -2.157 20.715 -13.514 1.00 0.00 O ATOM 861 CG2 THR B 23 -4.222 20.478 -14.735 1.00 0.00 C ATOM 0 H THR B 23 -0.122 21.045 -15.760 1.00 0.00 H new ATOM 0 HA THR B 23 -2.816 21.275 -16.661 1.00 0.00 H new ATOM 0 HB THR B 23 -3.294 22.319 -14.120 1.00 0.00 H new ATOM 0 HG1 THR B 23 -2.657 20.609 -12.678 1.00 0.00 H new ATOM 0 HG21 THR B 23 -4.777 20.360 -13.804 1.00 0.00 H new ATOM 0 HG22 THR B 23 -4.858 20.961 -15.477 1.00 0.00 H new ATOM 0 HG23 THR B 23 -3.915 19.498 -15.102 1.00 0.00 H new ATOM 869 N ASN B 24 -2.419 23.732 -16.739 1.00 0.00 N ATOM 870 CA ASN B 24 -2.007 25.151 -16.934 1.00 0.00 C ATOM 871 C ASN B 24 -3.127 26.095 -16.484 1.00 0.00 C ATOM 872 O ASN B 24 -4.194 25.664 -16.094 1.00 0.00 O ATOM 873 CB ASN B 24 -1.762 25.290 -18.437 1.00 0.00 C ATOM 874 CG ASN B 24 -0.660 26.321 -18.683 1.00 0.00 C ATOM 875 OD1 ASN B 24 -0.035 26.794 -17.753 1.00 0.00 O ATOM 876 ND2 ASN B 24 -0.391 26.693 -19.904 1.00 0.00 N ATOM 0 H ASN B 24 -3.250 23.446 -17.257 1.00 0.00 H new ATOM 0 HA ASN B 24 -1.122 25.407 -16.351 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -1.474 24.327 -18.860 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -2.680 25.597 -18.939 1.00 0.00 H new ATOM 0 HD21 ASN B 24 0.343 27.380 -20.078 1.00 0.00 H new ATOM 0 HD22 ASN B 24 -0.914 26.297 -20.685 1.00 0.00 H new ATOM 883 N GLU B 25 -2.890 27.377 -16.533 1.00 0.00 N ATOM 884 CA GLU B 25 -3.942 28.345 -16.107 1.00 0.00 C ATOM 885 C GLU B 25 -3.532 29.771 -16.485 1.00 0.00 C ATOM 886 O GLU B 25 -2.922 30.000 -17.511 1.00 0.00 O ATOM 887 CB GLU B 25 -4.025 28.196 -14.588 1.00 0.00 C ATOM 888 CG GLU B 25 -5.462 28.446 -14.127 1.00 0.00 C ATOM 889 CD GLU B 25 -5.763 27.585 -12.899 1.00 0.00 C ATOM 890 OE1 GLU B 25 -5.119 27.790 -11.884 1.00 0.00 O ATOM 891 OE2 GLU B 25 -6.633 26.735 -12.996 1.00 0.00 O ATOM 0 H GLU B 25 -2.015 27.796 -16.849 1.00 0.00 H new ATOM 0 HA GLU B 25 -4.901 28.152 -16.588 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -3.706 27.197 -14.292 1.00 0.00 H new ATOM 0 HB3 GLU B 25 -3.349 28.902 -14.105 1.00 0.00 H new ATOM 0 HG2 GLU B 25 -5.600 29.500 -13.887 1.00 0.00 H new ATOM 0 HG3 GLU B 25 -6.159 28.208 -14.930 1.00 0.00 H new ATOM 898 N PHE B 26 -3.862 30.731 -15.665 1.00 0.00 N ATOM 899 CA PHE B 26 -3.490 32.140 -15.979 1.00 0.00 C ATOM 900 C PHE B 26 -4.027 32.535 -17.357 1.00 0.00 C ATOM 901 O PHE B 26 -3.543 32.080 -18.375 1.00 0.00 O ATOM 902 CB PHE B 26 -1.962 32.158 -15.972 1.00 0.00 C ATOM 903 CG PHE B 26 -1.475 33.584 -15.868 1.00 0.00 C ATOM 904 CD1 PHE B 26 -1.395 34.206 -14.617 1.00 0.00 C ATOM 905 CD2 PHE B 26 -1.104 34.283 -17.023 1.00 0.00 C ATOM 906 CE1 PHE B 26 -0.944 35.528 -14.519 1.00 0.00 C ATOM 907 CE2 PHE B 26 -0.653 35.605 -16.926 1.00 0.00 C ATOM 908 CZ PHE B 26 -0.572 36.227 -15.675 1.00 0.00 C ATOM 0 H PHE B 26 -4.373 30.601 -14.792 1.00 0.00 H new ATOM 0 HA PHE B 26 -3.908 32.847 -15.262 1.00 0.00 H new ATOM 0 HB2 PHE B 26 -1.585 31.572 -15.134 1.00 0.00 H new ATOM 0 HB3 PHE B 26 -1.578 31.697 -16.882 1.00 0.00 H new ATOM 0 HD1 PHE B 26 -1.681 33.666 -13.727 1.00 0.00 H new ATOM 0 HD2 PHE B 26 -1.166 33.803 -17.988 1.00 0.00 H new ATOM 0 HE1 PHE B 26 -0.883 36.008 -13.554 1.00 0.00 H new ATOM 0 HE2 PHE B 26 -0.368 36.145 -17.817 1.00 0.00 H new ATOM 0 HZ PHE B 26 -0.223 37.246 -15.601 1.00 0.00 H new ATOM 918 N TYR B 27 -5.024 33.376 -17.399 1.00 0.00 N ATOM 919 CA TYR B 27 -5.590 33.798 -18.712 1.00 0.00 C ATOM 920 C TYR B 27 -4.644 34.786 -19.406 1.00 0.00 C ATOM 921 O TYR B 27 -3.439 34.696 -19.285 1.00 0.00 O ATOM 922 CB TYR B 27 -6.932 34.459 -18.374 1.00 0.00 C ATOM 923 CG TYR B 27 -6.720 35.895 -17.942 1.00 0.00 C ATOM 924 CD1 TYR B 27 -5.587 36.249 -17.197 1.00 0.00 C ATOM 925 CD2 TYR B 27 -7.661 36.872 -18.288 1.00 0.00 C ATOM 926 CE1 TYR B 27 -5.396 37.578 -16.802 1.00 0.00 C ATOM 927 CE2 TYR B 27 -7.470 38.201 -17.891 1.00 0.00 C ATOM 928 CZ TYR B 27 -6.338 38.554 -17.149 1.00 0.00 C ATOM 929 OH TYR B 27 -6.149 39.864 -16.757 1.00 0.00 O ATOM 0 H TYR B 27 -5.471 33.789 -16.581 1.00 0.00 H new ATOM 0 HA TYR B 27 -5.718 32.961 -19.398 1.00 0.00 H new ATOM 0 HB2 TYR B 27 -7.589 34.427 -19.243 1.00 0.00 H new ATOM 0 HB3 TYR B 27 -7.428 33.903 -17.579 1.00 0.00 H new ATOM 0 HD1 TYR B 27 -4.861 35.496 -16.928 1.00 0.00 H new ATOM 0 HD2 TYR B 27 -8.535 36.600 -18.862 1.00 0.00 H new ATOM 0 HE1 TYR B 27 -4.522 37.851 -16.229 1.00 0.00 H new ATOM 0 HE2 TYR B 27 -8.197 38.954 -18.158 1.00 0.00 H new ATOM 0 HH TYR B 27 -6.894 40.413 -17.080 1.00 0.00 H new ATOM 939 N ALA B 28 -5.183 35.727 -20.133 1.00 0.00 N ATOM 940 CA ALA B 28 -4.316 36.718 -20.832 1.00 0.00 C ATOM 941 C ALA B 28 -4.383 38.073 -20.121 1.00 0.00 C ATOM 942 O ALA B 28 -3.360 38.504 -19.615 1.00 0.00 O ATOM 943 CB ALA B 28 -4.896 36.824 -22.243 1.00 0.00 C ATOM 944 OXT ALA B 28 -5.454 38.656 -20.097 1.00 0.00 O ATOM 0 H ALA B 28 -6.186 35.852 -20.273 1.00 0.00 H new ATOM 0 HA ALA B 28 -3.269 36.416 -20.843 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -4.311 37.537 -22.824 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -4.860 35.847 -22.725 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -5.930 37.163 -22.187 1.00 0.00 H new TER 950 ALA B 28