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 20 LYS NZ :NH3+ -140:sc= 0.742 (180deg=0) USER MOD Set 1.2: B 23 THR OG1 : rot -107:sc= 1.11 USER MOD Set 2.1: A 20 LYS NZ :NH3+ -139:sc= 0.743 (180deg=0) USER MOD Set 2.2: A 23 THR OG1 : rot -107:sc= 1.17 USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= -1.37! USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 139:sc= -0.306 (180deg=-1.77!) 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 24 ASN : amide:sc= -0.995 K(o=-0.99,f=-0.33) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 SER OG : rot 180:sc= -1.26! USER MOD Single : B 10 TYR OH : rot 180:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ 139:sc= -0.284 (180deg=-1.81!) 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 24 ASN : amide:sc= -0.968 K(o=-0.97,f=-0.35) USER MOD Single : B 27 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -14.912 -21.667 7.142 1.00 0.00 N ATOM 2 CA ARG A 1 -13.660 -21.018 6.659 1.00 0.00 C ATOM 3 C ARG A 1 -12.625 -22.082 6.282 1.00 0.00 C ATOM 4 O ARG A 1 -11.955 -22.637 7.130 1.00 0.00 O ATOM 5 CB ARG A 1 -13.165 -20.183 7.840 1.00 0.00 C ATOM 6 CG ARG A 1 -11.896 -19.428 7.436 1.00 0.00 C ATOM 7 CD ARG A 1 -11.208 -18.879 8.688 1.00 0.00 C ATOM 8 NE ARG A 1 -12.296 -18.224 9.467 1.00 0.00 N ATOM 9 CZ ARG A 1 -12.285 -16.931 9.641 1.00 0.00 C ATOM 10 NH1 ARG A 1 -12.244 -16.133 8.610 1.00 0.00 N ATOM 11 NH2 ARG A 1 -12.316 -16.435 10.848 1.00 0.00 N ATOM 0 H1 ARG A 1 -15.607 -20.936 7.395 1.00 0.00 H new ATOM 0 H2 ARG A 1 -15.302 -22.270 6.390 1.00 0.00 H new ATOM 0 H3 ARG A 1 -14.701 -22.248 7.978 1.00 0.00 H new ATOM 0 HA ARG A 1 -13.827 -20.408 5.771 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -13.937 -19.478 8.150 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -12.961 -20.828 8.695 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -11.220 -20.093 6.899 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -12.146 -18.612 6.758 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -10.737 -19.677 9.262 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -10.424 -18.167 8.428 1.00 0.00 H new ATOM 0 HE ARG A 1 -13.049 -18.786 9.864 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -12.221 -16.520 7.666 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -12.235 -15.122 8.747 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -12.349 -17.058 11.655 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -12.307 -15.424 10.984 1.00 0.00 H new ATOM 27 N MET A 2 -12.489 -22.369 5.017 1.00 0.00 N ATOM 28 CA MET A 2 -11.497 -23.397 4.587 1.00 0.00 C ATOM 29 C MET A 2 -11.106 -23.175 3.124 1.00 0.00 C ATOM 30 O MET A 2 -11.774 -23.630 2.216 1.00 0.00 O ATOM 31 CB MET A 2 -12.216 -24.735 4.753 1.00 0.00 C ATOM 32 CG MET A 2 -11.829 -25.360 6.095 1.00 0.00 C ATOM 33 SD MET A 2 -11.625 -27.147 5.892 1.00 0.00 S ATOM 34 CE MET A 2 -12.061 -27.619 7.584 1.00 0.00 C ATOM 0 H MET A 2 -13.021 -21.937 4.262 1.00 0.00 H new ATOM 0 HA MET A 2 -10.578 -23.354 5.171 1.00 0.00 H new ATOM 0 HB2 MET A 2 -13.295 -24.588 4.706 1.00 0.00 H new ATOM 0 HB3 MET A 2 -11.950 -25.407 3.937 1.00 0.00 H new ATOM 0 HG2 MET A 2 -10.903 -24.917 6.461 1.00 0.00 H new ATOM 0 HG3 MET A 2 -12.598 -25.153 6.840 1.00 0.00 H new ATOM 0 HE1 MET A 2 -12.001 -28.702 7.687 1.00 0.00 H new ATOM 0 HE2 MET A 2 -11.369 -27.149 8.283 1.00 0.00 H new ATOM 0 HE3 MET A 2 -13.077 -27.290 7.803 1.00 0.00 H new ATOM 44 N LYS A 3 -10.028 -22.479 2.886 1.00 0.00 N ATOM 45 CA LYS A 3 -9.595 -22.229 1.481 1.00 0.00 C ATOM 46 C LYS A 3 -9.572 -23.542 0.693 1.00 0.00 C ATOM 47 O LYS A 3 -9.128 -24.563 1.181 1.00 0.00 O ATOM 48 CB LYS A 3 -8.186 -21.649 1.597 1.00 0.00 C ATOM 49 CG LYS A 3 -7.877 -20.805 0.360 1.00 0.00 C ATOM 50 CD LYS A 3 -6.418 -21.016 -0.052 1.00 0.00 C ATOM 51 CE LYS A 3 -5.496 -20.402 1.004 1.00 0.00 C ATOM 52 NZ LYS A 3 -4.185 -21.083 0.812 1.00 0.00 N ATOM 0 H LYS A 3 -9.428 -22.072 3.604 1.00 0.00 H new ATOM 0 HA LYS A 3 -10.271 -21.555 0.955 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -8.106 -21.038 2.496 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -7.457 -22.454 1.692 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -8.541 -21.084 -0.458 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -8.057 -19.751 0.572 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.209 -22.081 -0.158 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.233 -20.557 -1.023 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -5.405 -19.324 0.870 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -5.883 -20.566 2.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -3.498 -20.715 1.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -4.302 -22.107 0.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -3.838 -20.903 -0.152 1.00 0.00 H new ATOM 66 N LYS A 4 -10.048 -23.524 -0.522 1.00 0.00 N ATOM 67 CA LYS A 4 -10.053 -24.771 -1.339 1.00 0.00 C ATOM 68 C LYS A 4 -10.420 -24.451 -2.790 1.00 0.00 C ATOM 69 O LYS A 4 -11.407 -23.795 -3.061 1.00 0.00 O ATOM 70 CB LYS A 4 -11.122 -25.659 -0.700 1.00 0.00 C ATOM 71 CG LYS A 4 -10.445 -26.793 0.076 1.00 0.00 C ATOM 72 CD LYS A 4 -11.222 -27.062 1.367 1.00 0.00 C ATOM 73 CE LYS A 4 -11.053 -28.529 1.767 1.00 0.00 C ATOM 74 NZ LYS A 4 -12.441 -29.059 1.877 1.00 0.00 N ATOM 0 H LYS A 4 -10.433 -22.700 -0.984 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.077 -25.256 -1.358 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -11.748 -25.069 -0.031 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -11.776 -26.070 -1.469 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.409 -27.695 -0.535 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.414 -26.525 0.308 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.860 -26.413 2.164 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -12.278 -26.832 1.223 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.478 -29.078 1.021 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.519 -28.622 2.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.409 -30.062 2.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.962 -28.521 2.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.923 -28.964 0.960 1.00 0.00 H new ATOM 88 N LYS A 5 -9.634 -24.908 -3.726 1.00 0.00 N ATOM 89 CA LYS A 5 -9.939 -24.629 -5.158 1.00 0.00 C ATOM 90 C LYS A 5 -9.943 -23.120 -5.414 1.00 0.00 C ATOM 91 O LYS A 5 -10.250 -22.334 -4.539 1.00 0.00 O ATOM 92 CB LYS A 5 -11.332 -25.217 -5.389 1.00 0.00 C ATOM 93 CG LYS A 5 -11.395 -26.628 -4.802 1.00 0.00 C ATOM 94 CD LYS A 5 -12.308 -27.501 -5.665 1.00 0.00 C ATOM 95 CE LYS A 5 -12.755 -28.723 -4.861 1.00 0.00 C ATOM 96 NZ LYS A 5 -12.279 -29.895 -5.648 1.00 0.00 N ATOM 0 H LYS A 5 -8.794 -25.462 -3.561 1.00 0.00 H new ATOM 0 HA LYS A 5 -9.198 -25.062 -5.830 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -12.087 -24.584 -4.923 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.554 -25.245 -6.456 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -10.395 -27.060 -4.759 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -11.770 -26.591 -3.779 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -13.177 -26.928 -5.989 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.781 -27.818 -6.565 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.323 -28.717 -3.860 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -13.838 -28.742 -4.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.548 -30.773 -5.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -12.712 -29.877 -6.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.244 -29.854 -5.741 1.00 0.00 H new ATOM 110 N ASP A 6 -9.606 -22.709 -6.606 1.00 0.00 N ATOM 111 CA ASP A 6 -9.592 -21.250 -6.915 1.00 0.00 C ATOM 112 C ASP A 6 -9.092 -21.017 -8.344 1.00 0.00 C ATOM 113 O ASP A 6 -8.129 -21.616 -8.780 1.00 0.00 O ATOM 114 CB ASP A 6 -8.623 -20.640 -5.902 1.00 0.00 C ATOM 115 CG ASP A 6 -7.354 -21.492 -5.831 1.00 0.00 C ATOM 116 OD1 ASP A 6 -7.424 -22.578 -5.279 1.00 0.00 O ATOM 117 OD2 ASP A 6 -6.334 -21.045 -6.328 1.00 0.00 O ATOM 0 H ASP A 6 -9.340 -23.319 -7.379 1.00 0.00 H new ATOM 0 HA ASP A 6 -10.584 -20.804 -6.849 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.373 -19.619 -6.192 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -9.093 -20.587 -4.920 1.00 0.00 H new ATOM 122 N GLU A 7 -9.739 -20.151 -9.075 1.00 0.00 N ATOM 123 CA GLU A 7 -9.301 -19.881 -10.474 1.00 0.00 C ATOM 124 C GLU A 7 -8.850 -18.425 -10.615 1.00 0.00 C ATOM 125 O GLU A 7 -9.491 -17.517 -10.125 1.00 0.00 O ATOM 126 CB GLU A 7 -10.536 -20.147 -11.335 1.00 0.00 C ATOM 127 CG GLU A 7 -10.111 -20.791 -12.655 1.00 0.00 C ATOM 128 CD GLU A 7 -10.061 -22.311 -12.488 1.00 0.00 C ATOM 129 OE1 GLU A 7 -10.222 -22.770 -11.370 1.00 0.00 O ATOM 130 OE2 GLU A 7 -9.863 -22.989 -13.483 1.00 0.00 O ATOM 0 H GLU A 7 -10.552 -19.619 -8.764 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.457 -20.504 -10.770 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -11.227 -20.802 -10.805 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -11.065 -19.214 -11.528 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.813 -20.524 -13.445 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.133 -20.415 -12.957 1.00 0.00 H new ATOM 137 N GLY A 8 -7.752 -18.196 -11.282 1.00 0.00 N ATOM 138 CA GLY A 8 -7.262 -16.799 -11.453 1.00 0.00 C ATOM 139 C GLY A 8 -6.117 -16.780 -12.468 1.00 0.00 C ATOM 140 O GLY A 8 -4.958 -16.856 -12.113 1.00 0.00 O ATOM 0 H GLY A 8 -7.173 -18.915 -11.716 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -8.074 -16.157 -11.793 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.921 -16.402 -10.497 1.00 0.00 H new ATOM 144 N SER A 9 -6.433 -16.674 -13.730 1.00 0.00 N ATOM 145 CA SER A 9 -5.365 -16.647 -14.767 1.00 0.00 C ATOM 146 C SER A 9 -5.961 -16.278 -16.129 1.00 0.00 C ATOM 147 O SER A 9 -6.080 -17.106 -17.009 1.00 0.00 O ATOM 148 CB SER A 9 -4.791 -18.065 -14.798 1.00 0.00 C ATOM 149 OG SER A 9 -5.436 -18.864 -13.814 1.00 0.00 O ATOM 0 H SER A 9 -7.386 -16.605 -14.087 1.00 0.00 H new ATOM 0 HA SER A 9 -4.596 -15.907 -14.543 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.932 -18.503 -15.786 1.00 0.00 H new ATOM 0 HB3 SER A 9 -3.717 -18.037 -14.612 1.00 0.00 H new ATOM 0 HG SER A 9 -5.068 -19.772 -13.837 1.00 0.00 H new ATOM 155 N TYR A 10 -6.335 -15.041 -16.307 1.00 0.00 N ATOM 156 CA TYR A 10 -6.922 -14.620 -17.612 1.00 0.00 C ATOM 157 C TYR A 10 -5.884 -13.856 -18.436 1.00 0.00 C ATOM 158 O TYR A 10 -4.699 -14.110 -18.351 1.00 0.00 O ATOM 159 CB TYR A 10 -8.093 -13.708 -17.244 1.00 0.00 C ATOM 160 CG TYR A 10 -8.944 -14.380 -16.193 1.00 0.00 C ATOM 161 CD1 TYR A 10 -9.879 -15.353 -16.567 1.00 0.00 C ATOM 162 CD2 TYR A 10 -8.798 -14.031 -14.845 1.00 0.00 C ATOM 163 CE1 TYR A 10 -10.668 -15.975 -15.593 1.00 0.00 C ATOM 164 CE2 TYR A 10 -9.588 -14.653 -13.871 1.00 0.00 C ATOM 165 CZ TYR A 10 -10.522 -15.626 -14.245 1.00 0.00 C ATOM 166 OH TYR A 10 -11.301 -16.240 -13.285 1.00 0.00 O ATOM 0 H TYR A 10 -6.260 -14.303 -15.606 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.242 -15.470 -18.215 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -7.721 -12.754 -16.871 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -8.692 -13.492 -18.129 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -9.991 -15.623 -17.607 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -8.076 -13.282 -14.557 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -11.390 -16.725 -15.881 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -9.477 -14.382 -12.831 1.00 0.00 H new ATOM 0 HH TYR A 10 -11.073 -15.883 -12.401 1.00 0.00 H new ATOM 176 N ASP A 11 -6.320 -12.921 -19.237 1.00 0.00 N ATOM 177 CA ASP A 11 -5.360 -12.144 -20.068 1.00 0.00 C ATOM 178 C ASP A 11 -4.518 -11.223 -19.183 1.00 0.00 C ATOM 179 O ASP A 11 -4.643 -11.224 -17.973 1.00 0.00 O ATOM 180 CB ASP A 11 -6.234 -11.324 -21.018 1.00 0.00 C ATOM 181 CG ASP A 11 -6.688 -12.205 -22.183 1.00 0.00 C ATOM 182 OD1 ASP A 11 -5.831 -12.776 -22.838 1.00 0.00 O ATOM 183 OD2 ASP A 11 -7.885 -12.294 -22.400 1.00 0.00 O ATOM 0 H ASP A 11 -7.300 -12.663 -19.351 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.664 -12.788 -20.606 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -7.101 -10.933 -20.485 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.676 -10.466 -21.393 1.00 0.00 H new ATOM 188 N LEU A 12 -3.661 -10.436 -19.776 1.00 0.00 N ATOM 189 CA LEU A 12 -2.812 -9.513 -18.971 1.00 0.00 C ATOM 190 C LEU A 12 -1.808 -8.795 -19.876 1.00 0.00 C ATOM 191 O LEU A 12 -1.775 -9.003 -21.072 1.00 0.00 O ATOM 192 CB LEU A 12 -2.083 -10.410 -17.968 1.00 0.00 C ATOM 193 CG LEU A 12 -1.553 -11.654 -18.684 1.00 0.00 C ATOM 194 CD1 LEU A 12 -0.451 -11.248 -19.664 1.00 0.00 C ATOM 195 CD2 LEU A 12 -0.981 -12.630 -17.652 1.00 0.00 C ATOM 0 H LEU A 12 -3.513 -10.393 -20.784 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.401 -8.743 -18.473 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.259 -9.864 -17.508 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.761 -10.701 -17.165 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.366 -12.134 -19.229 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.073 -12.134 -20.174 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.856 -10.551 -20.398 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.362 -10.769 -19.119 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.603 -13.517 -18.160 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.168 -12.149 -17.108 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.764 -12.920 -16.952 1.00 0.00 H new ATOM 207 N GLY A 13 -0.988 -7.950 -19.312 1.00 0.00 N ATOM 208 CA GLY A 13 0.013 -7.218 -20.139 1.00 0.00 C ATOM 209 C GLY A 13 1.240 -6.893 -19.285 1.00 0.00 C ATOM 210 O GLY A 13 2.257 -7.551 -19.366 1.00 0.00 O ATOM 0 H GLY A 13 -0.968 -7.735 -18.315 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.304 -7.824 -20.997 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.425 -6.300 -20.530 1.00 0.00 H new ATOM 214 N LYS A 14 1.151 -5.882 -18.464 1.00 0.00 N ATOM 215 CA LYS A 14 2.307 -5.516 -17.603 1.00 0.00 C ATOM 216 C LYS A 14 1.821 -4.771 -16.355 1.00 0.00 C ATOM 217 O LYS A 14 1.379 -5.373 -15.396 1.00 0.00 O ATOM 218 CB LYS A 14 3.185 -4.616 -18.475 1.00 0.00 C ATOM 219 CG LYS A 14 4.192 -5.472 -19.247 1.00 0.00 C ATOM 220 CD LYS A 14 4.987 -6.338 -18.268 1.00 0.00 C ATOM 221 CE LYS A 14 6.417 -6.512 -18.782 1.00 0.00 C ATOM 222 NZ LYS A 14 6.998 -5.140 -18.776 1.00 0.00 N ATOM 0 H LYS A 14 0.325 -5.294 -18.354 1.00 0.00 H new ATOM 0 HA LYS A 14 2.856 -6.389 -17.250 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.565 -4.050 -19.170 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.710 -3.891 -17.853 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.671 -6.104 -19.967 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.868 -4.833 -19.815 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.998 -5.873 -17.282 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.509 -7.311 -18.156 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.987 -7.185 -18.142 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.427 -6.941 -19.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.978 -5.180 -18.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.987 -4.754 -19.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.435 -4.527 -18.152 1.00 0.00 H new ATOM 236 N LYS A 15 1.895 -3.469 -16.356 1.00 0.00 N ATOM 237 CA LYS A 15 1.435 -2.694 -15.167 1.00 0.00 C ATOM 238 C LYS A 15 1.126 -1.250 -15.564 1.00 0.00 C ATOM 239 O LYS A 15 1.763 -0.696 -16.436 1.00 0.00 O ATOM 240 CB LYS A 15 2.606 -2.742 -14.185 1.00 0.00 C ATOM 241 CG LYS A 15 2.697 -4.138 -13.564 1.00 0.00 C ATOM 242 CD LYS A 15 3.624 -4.097 -12.348 1.00 0.00 C ATOM 243 CE LYS A 15 4.674 -5.204 -12.469 1.00 0.00 C ATOM 244 NZ LYS A 15 5.899 -4.642 -11.835 1.00 0.00 N ATOM 0 H LYS A 15 2.254 -2.907 -17.128 1.00 0.00 H new ATOM 0 HA LYS A 15 0.523 -3.105 -14.734 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.536 -2.500 -14.700 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.470 -1.994 -13.404 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.706 -4.481 -13.267 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.074 -4.850 -14.298 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.112 -3.124 -12.282 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.047 -4.227 -11.433 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.349 -6.113 -11.963 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.854 -5.466 -13.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 6.666 -5.343 -11.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.188 -3.781 -12.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.700 -4.409 -10.841 1.00 0.00 H new ATOM 258 N PRO A 16 0.151 -0.687 -14.902 1.00 0.00 N ATOM 259 CA PRO A 16 -0.259 0.713 -15.183 1.00 0.00 C ATOM 260 C PRO A 16 0.819 1.690 -14.711 1.00 0.00 C ATOM 261 O PRO A 16 1.041 1.871 -13.530 1.00 0.00 O ATOM 262 CB PRO A 16 -1.545 0.876 -14.377 1.00 0.00 C ATOM 263 CG PRO A 16 -1.443 -0.136 -13.282 1.00 0.00 C ATOM 264 CD PRO A 16 -0.653 -1.293 -13.835 1.00 0.00 C ATOM 0 HA PRO A 16 -0.402 0.917 -16.244 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.634 1.885 -13.975 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.425 0.701 -14.996 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.948 0.288 -12.408 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.433 -0.461 -12.962 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -0.025 -1.750 -13.071 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.306 -2.076 -14.221 1.00 0.00 H new ATOM 272 N ILE A 17 1.485 2.323 -15.635 1.00 0.00 N ATOM 273 CA ILE A 17 2.550 3.296 -15.262 1.00 0.00 C ATOM 274 C ILE A 17 2.065 4.725 -15.519 1.00 0.00 C ATOM 275 O ILE A 17 1.142 4.948 -16.277 1.00 0.00 O ATOM 276 CB ILE A 17 3.756 2.963 -16.154 1.00 0.00 C ATOM 277 CG1 ILE A 17 3.288 2.540 -17.551 1.00 0.00 C ATOM 278 CG2 ILE A 17 4.556 1.823 -15.523 1.00 0.00 C ATOM 279 CD1 ILE A 17 4.381 2.842 -18.575 1.00 0.00 C ATOM 0 H ILE A 17 1.337 2.208 -16.638 1.00 0.00 H new ATOM 0 HA ILE A 17 2.811 3.229 -14.206 1.00 0.00 H new ATOM 0 HB ILE A 17 4.382 3.851 -16.244 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.053 1.476 -17.559 1.00 0.00 H new ATOM 0 HG13 ILE A 17 2.373 3.071 -17.814 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.412 1.586 -16.155 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.906 2.127 -14.537 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.921 0.942 -15.427 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.044 2.540 -19.567 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.595 3.911 -18.575 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.285 2.291 -18.315 1.00 0.00 H new ATOM 291 N TYR A 18 2.668 5.696 -14.892 1.00 0.00 N ATOM 292 CA TYR A 18 2.227 7.104 -15.105 1.00 0.00 C ATOM 293 C TYR A 18 3.407 7.976 -15.544 1.00 0.00 C ATOM 294 O TYR A 18 4.197 8.423 -14.736 1.00 0.00 O ATOM 295 CB TYR A 18 1.697 7.562 -13.745 1.00 0.00 C ATOM 296 CG TYR A 18 0.368 8.255 -13.927 1.00 0.00 C ATOM 297 CD1 TYR A 18 -0.579 7.732 -14.817 1.00 0.00 C ATOM 298 CD2 TYR A 18 0.081 9.420 -13.207 1.00 0.00 C ATOM 299 CE1 TYR A 18 -1.811 8.375 -14.986 1.00 0.00 C ATOM 300 CE2 TYR A 18 -1.151 10.063 -13.375 1.00 0.00 C ATOM 301 CZ TYR A 18 -2.097 9.540 -14.264 1.00 0.00 C ATOM 302 OH TYR A 18 -3.312 10.174 -14.430 1.00 0.00 O ATOM 0 H TYR A 18 3.445 5.577 -14.243 1.00 0.00 H new ATOM 0 HA TYR A 18 1.472 7.183 -15.887 1.00 0.00 H new ATOM 0 HB2 TYR A 18 1.584 6.706 -13.080 1.00 0.00 H new ATOM 0 HB3 TYR A 18 2.410 8.239 -13.275 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -0.359 6.833 -15.373 1.00 0.00 H new ATOM 0 HD2 TYR A 18 0.811 9.824 -12.521 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -2.541 7.973 -15.673 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -1.371 10.962 -12.819 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.349 10.966 -13.854 1.00 0.00 H new ATOM 312 N LYS A 19 3.526 8.225 -16.819 1.00 0.00 N ATOM 313 CA LYS A 19 4.649 9.072 -17.312 1.00 0.00 C ATOM 314 C LYS A 19 4.172 9.954 -18.469 1.00 0.00 C ATOM 315 O LYS A 19 3.459 9.510 -19.347 1.00 0.00 O ATOM 316 CB LYS A 19 5.711 8.083 -17.793 1.00 0.00 C ATOM 317 CG LYS A 19 6.987 8.262 -16.968 1.00 0.00 C ATOM 318 CD LYS A 19 6.779 7.676 -15.571 1.00 0.00 C ATOM 319 CE LYS A 19 6.953 8.777 -14.522 1.00 0.00 C ATOM 320 NZ LYS A 19 8.290 8.523 -13.918 1.00 0.00 N ATOM 0 H LYS A 19 2.894 7.879 -17.541 1.00 0.00 H new ATOM 0 HA LYS A 19 5.035 9.738 -16.541 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.343 7.062 -17.696 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.923 8.246 -18.850 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.824 7.766 -17.461 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.241 9.320 -16.896 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.783 7.239 -15.493 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.494 6.873 -15.392 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.906 9.767 -14.977 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.165 8.734 -13.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.483 9.238 -13.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.302 7.576 -13.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.020 8.577 -14.656 1.00 0.00 H new ATOM 334 N LYS A 20 4.557 11.200 -18.475 1.00 0.00 N ATOM 335 CA LYS A 20 4.125 12.109 -19.574 1.00 0.00 C ATOM 336 C LYS A 20 4.566 13.544 -19.278 1.00 0.00 C ATOM 337 O LYS A 20 4.502 14.005 -18.154 1.00 0.00 O ATOM 338 CB LYS A 20 2.599 12.010 -19.593 1.00 0.00 C ATOM 339 CG LYS A 20 2.132 11.594 -20.990 1.00 0.00 C ATOM 340 CD LYS A 20 1.650 12.829 -21.755 1.00 0.00 C ATOM 341 CE LYS A 20 2.183 12.782 -23.189 1.00 0.00 C ATOM 342 NZ LYS A 20 1.541 13.939 -23.874 1.00 0.00 N ATOM 0 H LYS A 20 5.152 11.628 -17.766 1.00 0.00 H new ATOM 0 HA LYS A 20 4.563 11.834 -20.533 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.262 11.283 -18.854 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.158 12.969 -19.321 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.948 11.114 -21.530 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.327 10.863 -20.913 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.561 12.863 -21.762 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.994 13.735 -21.257 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.270 12.864 -23.210 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.925 11.842 -23.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.249 13.657 -24.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.706 14.243 -23.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.219 14.725 -23.936 1.00 0.00 H new ATOM 356 N ALA A 21 5.016 14.255 -20.276 1.00 0.00 N ATOM 357 CA ALA A 21 5.463 15.660 -20.050 1.00 0.00 C ATOM 358 C ALA A 21 4.509 16.635 -20.747 1.00 0.00 C ATOM 359 O ALA A 21 3.560 16.228 -21.386 1.00 0.00 O ATOM 360 CB ALA A 21 6.857 15.737 -20.671 1.00 0.00 C ATOM 0 H ALA A 21 5.094 13.924 -21.238 1.00 0.00 H new ATOM 0 HA ALA A 21 5.474 15.926 -18.993 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.256 16.744 -20.546 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.515 15.022 -20.178 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.796 15.501 -21.733 1.00 0.00 H new ATOM 366 N PRO A 22 4.800 17.899 -20.596 1.00 0.00 N ATOM 367 CA PRO A 22 3.962 18.954 -21.217 1.00 0.00 C ATOM 368 C PRO A 22 4.189 18.996 -22.731 1.00 0.00 C ATOM 369 O PRO A 22 4.635 19.987 -23.273 1.00 0.00 O ATOM 370 CB PRO A 22 4.456 20.237 -20.557 1.00 0.00 C ATOM 371 CG PRO A 22 5.856 19.937 -20.124 1.00 0.00 C ATOM 372 CD PRO A 22 5.926 18.459 -19.841 1.00 0.00 C ATOM 0 HA PRO A 22 2.893 18.792 -21.076 1.00 0.00 H new ATOM 0 HB2 PRO A 22 4.430 21.075 -21.254 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.830 20.510 -19.707 1.00 0.00 H new ATOM 0 HG2 PRO A 22 6.567 20.214 -20.902 1.00 0.00 H new ATOM 0 HG3 PRO A 22 6.116 20.512 -19.235 1.00 0.00 H new ATOM 0 HD2 PRO A 22 6.876 18.035 -20.167 1.00 0.00 H new ATOM 0 HD3 PRO A 22 5.834 18.252 -18.775 1.00 0.00 H new ATOM 380 N THR A 23 3.888 17.926 -23.415 1.00 0.00 N ATOM 381 CA THR A 23 4.088 17.902 -24.892 1.00 0.00 C ATOM 382 C THR A 23 3.627 19.224 -25.511 1.00 0.00 C ATOM 383 O THR A 23 4.104 19.635 -26.551 1.00 0.00 O ATOM 384 CB THR A 23 3.220 16.745 -25.390 1.00 0.00 C ATOM 385 OG1 THR A 23 3.176 15.728 -24.399 1.00 0.00 O ATOM 386 CG2 THR A 23 3.814 16.179 -26.680 1.00 0.00 C ATOM 0 H THR A 23 3.512 17.067 -23.014 1.00 0.00 H new ATOM 0 HA THR A 23 5.135 17.773 -25.165 1.00 0.00 H new ATOM 0 HB THR A 23 2.210 17.105 -25.586 1.00 0.00 H new ATOM 0 HG1 THR A 23 3.717 14.964 -24.690 1.00 0.00 H new ATOM 0 HG21 THR A 23 3.195 15.355 -27.034 1.00 0.00 H new ATOM 0 HG22 THR A 23 3.847 16.961 -27.439 1.00 0.00 H new ATOM 0 HG23 THR A 23 4.824 15.818 -26.488 1.00 0.00 H new ATOM 394 N ASN A 24 2.701 19.895 -24.881 1.00 0.00 N ATOM 395 CA ASN A 24 2.210 21.190 -25.435 1.00 0.00 C ATOM 396 C ASN A 24 3.394 22.079 -25.827 1.00 0.00 C ATOM 397 O ASN A 24 4.324 22.263 -25.066 1.00 0.00 O ATOM 398 CB ASN A 24 1.412 21.830 -24.298 1.00 0.00 C ATOM 399 CG ASN A 24 0.383 20.828 -23.770 1.00 0.00 C ATOM 400 OD1 ASN A 24 0.049 20.842 -22.602 1.00 0.00 O ATOM 401 ND2 ASN A 24 -0.137 19.955 -24.588 1.00 0.00 N ATOM 0 H ASN A 24 2.263 19.603 -24.007 1.00 0.00 H new ATOM 0 HA ASN A 24 1.604 21.054 -26.331 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.083 22.135 -23.495 1.00 0.00 H new ATOM 0 HB3 ASN A 24 0.910 22.730 -24.653 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -0.825 19.283 -24.247 1.00 0.00 H new ATOM 0 HD22 ASN A 24 0.144 19.944 -25.568 1.00 0.00 H new ATOM 408 N GLU A 25 3.366 22.632 -27.008 1.00 0.00 N ATOM 409 CA GLU A 25 4.490 23.508 -27.447 1.00 0.00 C ATOM 410 C GLU A 25 4.072 24.332 -28.669 1.00 0.00 C ATOM 411 O GLU A 25 4.897 24.766 -29.448 1.00 0.00 O ATOM 412 CB GLU A 25 5.624 22.548 -27.809 1.00 0.00 C ATOM 413 CG GLU A 25 6.898 22.961 -27.070 1.00 0.00 C ATOM 414 CD GLU A 25 8.030 23.164 -28.079 1.00 0.00 C ATOM 415 OE1 GLU A 25 8.326 22.228 -28.804 1.00 0.00 O ATOM 416 OE2 GLU A 25 8.582 24.252 -28.110 1.00 0.00 O ATOM 0 H GLU A 25 2.615 22.516 -27.688 1.00 0.00 H new ATOM 0 HA GLU A 25 4.788 24.216 -26.674 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.350 21.528 -27.541 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.795 22.560 -28.885 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.725 23.881 -26.511 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.175 22.195 -26.345 1.00 0.00 H new ATOM 423 N PHE A 26 2.798 24.549 -28.843 1.00 0.00 N ATOM 424 CA PHE A 26 2.329 25.343 -30.014 1.00 0.00 C ATOM 425 C PHE A 26 3.014 24.854 -31.293 1.00 0.00 C ATOM 426 O PHE A 26 3.767 25.574 -31.920 1.00 0.00 O ATOM 427 CB PHE A 26 2.737 26.784 -29.705 1.00 0.00 C ATOM 428 CG PHE A 26 1.526 27.565 -29.252 1.00 0.00 C ATOM 429 CD1 PHE A 26 0.628 26.996 -28.342 1.00 0.00 C ATOM 430 CD2 PHE A 26 1.303 28.857 -29.743 1.00 0.00 C ATOM 431 CE1 PHE A 26 -0.495 27.721 -27.922 1.00 0.00 C ATOM 432 CE2 PHE A 26 0.181 29.581 -29.322 1.00 0.00 C ATOM 433 CZ PHE A 26 -0.719 29.012 -28.413 1.00 0.00 C ATOM 0 H PHE A 26 2.061 24.211 -28.225 1.00 0.00 H new ATOM 0 HA PHE A 26 1.255 25.249 -30.173 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.503 26.798 -28.929 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.172 27.248 -30.590 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.800 25.999 -27.964 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.996 29.295 -30.446 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.188 27.283 -27.219 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.010 30.579 -29.699 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.586 29.569 -28.091 1.00 0.00 H new ATOM 443 N TYR A 27 2.760 23.635 -31.685 1.00 0.00 N ATOM 444 CA TYR A 27 3.398 23.102 -32.922 1.00 0.00 C ATOM 445 C TYR A 27 2.332 22.535 -33.863 1.00 0.00 C ATOM 446 O TYR A 27 2.638 21.974 -34.898 1.00 0.00 O ATOM 447 CB TYR A 27 4.332 21.992 -32.440 1.00 0.00 C ATOM 448 CG TYR A 27 5.655 22.100 -33.160 1.00 0.00 C ATOM 449 CD1 TYR A 27 5.685 22.366 -34.534 1.00 0.00 C ATOM 450 CD2 TYR A 27 6.852 21.932 -32.453 1.00 0.00 C ATOM 451 CE1 TYR A 27 6.911 22.465 -35.202 1.00 0.00 C ATOM 452 CE2 TYR A 27 8.078 22.031 -33.121 1.00 0.00 C ATOM 453 CZ TYR A 27 8.108 22.297 -34.496 1.00 0.00 C ATOM 454 OH TYR A 27 9.317 22.395 -35.153 1.00 0.00 O ATOM 0 H TYR A 27 2.139 22.986 -31.202 1.00 0.00 H new ATOM 0 HA TYR A 27 3.934 23.873 -33.476 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.484 22.072 -31.364 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.882 21.017 -32.627 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.762 22.495 -35.079 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.829 21.726 -31.393 1.00 0.00 H new ATOM 0 HE1 TYR A 27 6.933 22.671 -36.262 1.00 0.00 H new ATOM 0 HE2 TYR A 27 9.001 21.902 -32.576 1.00 0.00 H new ATOM 0 HH TYR A 27 10.048 22.253 -34.516 1.00 0.00 H new ATOM 464 N ALA A 28 1.082 22.675 -33.514 1.00 0.00 N ATOM 465 CA ALA A 28 -0.001 22.144 -34.390 1.00 0.00 C ATOM 466 C ALA A 28 -1.372 22.549 -33.840 1.00 0.00 C ATOM 467 O ALA A 28 -1.835 21.898 -32.919 1.00 0.00 O ATOM 468 CB ALA A 28 0.165 20.625 -34.348 1.00 0.00 C ATOM 469 OXT ALA A 28 -1.934 23.504 -34.352 1.00 0.00 O ATOM 0 H ALA A 28 0.764 23.134 -32.660 1.00 0.00 H new ATOM 0 HA ALA A 28 0.062 22.533 -35.406 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.598 20.158 -34.971 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.153 20.356 -34.722 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.059 20.276 -33.321 1.00 0.00 H new TER 475 ALA A 28 ATOM 476 N ARG B 1 4.017 -28.785 -38.160 1.00 0.00 N ATOM 477 CA ARG B 1 3.170 -27.614 -37.792 1.00 0.00 C ATOM 478 C ARG B 1 1.792 -28.084 -37.318 1.00 0.00 C ATOM 479 O ARG B 1 0.927 -28.402 -38.109 1.00 0.00 O ATOM 480 CB ARG B 1 3.044 -26.797 -39.079 1.00 0.00 C ATOM 481 CG ARG B 1 2.226 -25.534 -38.804 1.00 0.00 C ATOM 482 CD ARG B 1 1.802 -24.900 -40.131 1.00 0.00 C ATOM 483 NE ARG B 1 3.043 -24.868 -40.955 1.00 0.00 N ATOM 484 CZ ARG B 1 3.577 -23.724 -41.284 1.00 0.00 C ATOM 485 NH1 ARG B 1 3.906 -22.866 -40.357 1.00 0.00 N ATOM 486 NH2 ARG B 1 3.783 -23.438 -42.541 1.00 0.00 N ATOM 0 H1 ARG B 1 4.949 -28.452 -38.480 1.00 0.00 H new ATOM 0 H2 ARG B 1 4.135 -29.402 -37.331 1.00 0.00 H new ATOM 0 H3 ARG B 1 3.558 -29.318 -38.926 1.00 0.00 H new ATOM 0 HA ARG B 1 3.603 -27.031 -36.979 1.00 0.00 H new ATOM 0 HB2 ARG B 1 4.033 -26.529 -39.450 1.00 0.00 H new ATOM 0 HB3 ARG B 1 2.563 -27.393 -39.855 1.00 0.00 H new ATOM 0 HG2 ARG B 1 1.346 -25.780 -38.209 1.00 0.00 H new ATOM 0 HG3 ARG B 1 2.816 -24.825 -38.223 1.00 0.00 H new ATOM 0 HD2 ARG B 1 1.021 -25.485 -40.616 1.00 0.00 H new ATOM 0 HD3 ARG B 1 1.402 -23.897 -39.980 1.00 0.00 H new ATOM 0 HE ARG B 1 3.475 -25.740 -41.262 1.00 0.00 H new ATOM 0 HH11 ARG B 1 3.746 -23.090 -39.375 1.00 0.00 H new ATOM 0 HH12 ARG B 1 4.323 -21.972 -40.615 1.00 0.00 H new ATOM 0 HH21 ARG B 1 3.526 -24.109 -43.265 1.00 0.00 H new ATOM 0 HH22 ARG B 1 4.200 -22.544 -42.799 1.00 0.00 H new ATOM 502 N MET B 2 1.582 -28.132 -36.031 1.00 0.00 N ATOM 503 CA MET B 2 0.261 -28.581 -35.507 1.00 0.00 C ATOM 504 C MET B 2 0.040 -28.040 -34.092 1.00 0.00 C ATOM 505 O MET B 2 0.477 -28.621 -33.119 1.00 0.00 O ATOM 506 CB MET B 2 0.341 -30.108 -35.491 1.00 0.00 C ATOM 507 CG MET B 2 -0.312 -30.668 -36.756 1.00 0.00 C ATOM 508 SD MET B 2 -1.247 -32.161 -36.344 1.00 0.00 S ATOM 509 CE MET B 2 -1.099 -32.974 -37.954 1.00 0.00 C ATOM 0 H MET B 2 2.268 -27.880 -35.320 1.00 0.00 H new ATOM 0 HA MET B 2 -0.569 -28.222 -36.116 1.00 0.00 H new ATOM 0 HB2 MET B 2 1.382 -30.427 -35.435 1.00 0.00 H new ATOM 0 HB3 MET B 2 -0.161 -30.500 -34.606 1.00 0.00 H new ATOM 0 HG2 MET B 2 -0.973 -29.922 -37.197 1.00 0.00 H new ATOM 0 HG3 MET B 2 0.451 -30.898 -37.500 1.00 0.00 H new ATOM 0 HE1 MET B 2 -1.615 -33.934 -37.926 1.00 0.00 H new ATOM 0 HE2 MET B 2 -1.547 -32.344 -38.722 1.00 0.00 H new ATOM 0 HE3 MET B 2 -0.046 -33.135 -38.185 1.00 0.00 H new ATOM 519 N LYS B 3 -0.635 -26.930 -33.970 1.00 0.00 N ATOM 520 CA LYS B 3 -0.883 -26.352 -32.618 1.00 0.00 C ATOM 521 C LYS B 3 -1.438 -27.425 -31.678 1.00 0.00 C ATOM 522 O LYS B 3 -2.286 -28.212 -32.050 1.00 0.00 O ATOM 523 CB LYS B 3 -1.916 -25.248 -32.842 1.00 0.00 C ATOM 524 CG LYS B 3 -1.805 -24.209 -31.724 1.00 0.00 C ATOM 525 CD LYS B 3 -3.204 -23.730 -31.330 1.00 0.00 C ATOM 526 CE LYS B 3 -3.807 -22.916 -32.477 1.00 0.00 C ATOM 527 NZ LYS B 3 -5.277 -22.950 -32.240 1.00 0.00 N ATOM 0 H LYS B 3 -1.026 -26.398 -34.748 1.00 0.00 H new ATOM 0 HA LYS B 3 0.029 -25.969 -32.159 1.00 0.00 H new ATOM 0 HB2 LYS B 3 -1.753 -24.774 -33.810 1.00 0.00 H new ATOM 0 HB3 LYS B 3 -2.920 -25.673 -32.860 1.00 0.00 H new ATOM 0 HG2 LYS B 3 -1.301 -24.642 -30.860 1.00 0.00 H new ATOM 0 HG3 LYS B 3 -1.200 -23.365 -32.056 1.00 0.00 H new ATOM 0 HD2 LYS B 3 -3.842 -24.584 -31.102 1.00 0.00 H new ATOM 0 HD3 LYS B 3 -3.151 -23.122 -30.427 1.00 0.00 H new ATOM 0 HE2 LYS B 3 -3.430 -21.893 -32.476 1.00 0.00 H new ATOM 0 HE3 LYS B 3 -3.553 -23.349 -33.445 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 -5.762 -22.412 -32.987 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 -5.608 -23.936 -32.253 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 -5.489 -22.526 -31.315 1.00 0.00 H new ATOM 541 N LYS B 4 -0.966 -27.464 -30.462 1.00 0.00 N ATOM 542 CA LYS B 4 -1.469 -28.486 -29.499 1.00 0.00 C ATOM 543 C LYS B 4 -0.961 -28.178 -28.088 1.00 0.00 C ATOM 544 O LYS B 4 0.217 -27.974 -27.872 1.00 0.00 O ATOM 545 CB LYS B 4 -0.896 -29.813 -29.998 1.00 0.00 C ATOM 546 CG LYS B 4 -2.008 -30.638 -30.647 1.00 0.00 C ATOM 547 CD LYS B 4 -1.455 -31.365 -31.875 1.00 0.00 C ATOM 548 CE LYS B 4 -2.240 -32.660 -32.099 1.00 0.00 C ATOM 549 NZ LYS B 4 -1.211 -33.737 -32.106 1.00 0.00 N ATOM 0 H LYS B 4 -0.254 -26.833 -30.093 1.00 0.00 H new ATOM 0 HA LYS B 4 -2.558 -28.505 -29.447 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -0.098 -29.629 -30.718 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -0.456 -30.366 -29.168 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -2.404 -31.359 -29.932 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -2.835 -29.989 -30.937 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -1.530 -30.725 -32.754 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -0.398 -31.588 -31.733 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -2.973 -32.819 -31.308 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -2.788 -32.632 -33.041 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -1.672 -34.657 -32.255 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -0.531 -33.562 -32.873 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -0.710 -33.744 -31.195 1.00 0.00 H new ATOM 563 N LYS B 5 -1.842 -28.142 -27.126 1.00 0.00 N ATOM 564 CA LYS B 5 -1.409 -27.847 -25.730 1.00 0.00 C ATOM 565 C LYS B 5 -0.759 -26.463 -25.659 1.00 0.00 C ATOM 566 O LYS B 5 -0.172 -25.993 -26.614 1.00 0.00 O ATOM 567 CB LYS B 5 -0.391 -28.936 -25.392 1.00 0.00 C ATOM 568 CG LYS B 5 -0.948 -30.301 -25.802 1.00 0.00 C ATOM 569 CD LYS B 5 -0.467 -31.367 -24.816 1.00 0.00 C ATOM 570 CE LYS B 5 -0.602 -32.752 -25.452 1.00 0.00 C ATOM 571 NZ LYS B 5 -1.508 -33.506 -24.542 1.00 0.00 N ATOM 0 H LYS B 5 -2.842 -28.304 -27.246 1.00 0.00 H new ATOM 0 HA LYS B 5 -2.245 -27.841 -25.031 1.00 0.00 H new ATOM 0 HB2 LYS B 5 0.548 -28.744 -25.911 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -0.173 -28.926 -24.324 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -2.037 -30.271 -25.818 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -0.621 -30.550 -26.811 1.00 0.00 H new ATOM 0 HD2 LYS B 5 0.571 -31.181 -24.542 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -1.053 -31.319 -23.898 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -1.018 -32.686 -26.457 1.00 0.00 H new ATOM 0 HE3 LYS B 5 0.367 -33.243 -25.540 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -1.649 -34.468 -24.912 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -1.083 -33.558 -23.594 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -2.425 -33.019 -24.484 1.00 0.00 H new ATOM 585 N ASP B 6 -0.857 -25.807 -24.536 1.00 0.00 N ATOM 586 CA ASP B 6 -0.244 -24.454 -24.405 1.00 0.00 C ATOM 587 C ASP B 6 -0.558 -23.861 -23.030 1.00 0.00 C ATOM 588 O ASP B 6 -1.673 -23.936 -22.551 1.00 0.00 O ATOM 589 CB ASP B 6 -0.891 -23.618 -25.511 1.00 0.00 C ATOM 590 CG ASP B 6 -2.402 -23.855 -25.513 1.00 0.00 C ATOM 591 OD1 ASP B 6 -2.813 -24.926 -25.926 1.00 0.00 O ATOM 592 OD2 ASP B 6 -3.122 -22.960 -25.101 1.00 0.00 O ATOM 0 H ASP B 6 -1.335 -26.149 -23.702 1.00 0.00 H new ATOM 0 HA ASP B 6 0.842 -24.482 -24.497 1.00 0.00 H new ATOM 0 HB2 ASP B 6 -0.678 -22.561 -25.354 1.00 0.00 H new ATOM 0 HB3 ASP B 6 -0.469 -23.887 -26.479 1.00 0.00 H new ATOM 597 N GLU B 7 0.414 -23.269 -22.391 1.00 0.00 N ATOM 598 CA GLU B 7 0.169 -22.672 -21.047 1.00 0.00 C ATOM 599 C GLU B 7 0.382 -21.156 -21.096 1.00 0.00 C ATOM 600 O GLU B 7 1.333 -20.671 -21.676 1.00 0.00 O ATOM 601 CB GLU B 7 1.198 -23.328 -20.128 1.00 0.00 C ATOM 602 CG GLU B 7 0.576 -23.567 -18.752 1.00 0.00 C ATOM 603 CD GLU B 7 -0.118 -24.930 -18.733 1.00 0.00 C ATOM 604 OE1 GLU B 7 -0.197 -25.546 -19.784 1.00 0.00 O ATOM 605 OE2 GLU B 7 -0.558 -25.336 -17.670 1.00 0.00 O ATOM 0 H GLU B 7 1.367 -23.173 -22.741 1.00 0.00 H new ATOM 0 HA GLU B 7 -0.851 -22.839 -20.701 1.00 0.00 H new ATOM 0 HB2 GLU B 7 1.533 -24.273 -20.556 1.00 0.00 H new ATOM 0 HB3 GLU B 7 2.077 -22.690 -20.035 1.00 0.00 H new ATOM 0 HG2 GLU B 7 1.346 -23.529 -17.982 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -0.142 -22.779 -18.524 1.00 0.00 H new ATOM 612 N GLY B 8 -0.497 -20.404 -20.492 1.00 0.00 N ATOM 613 CA GLY B 8 -0.344 -18.922 -20.505 1.00 0.00 C ATOM 614 C GLY B 8 -1.345 -18.296 -19.531 1.00 0.00 C ATOM 615 O GLY B 8 -2.436 -17.917 -19.905 1.00 0.00 O ATOM 0 H GLY B 8 -1.314 -20.752 -19.990 1.00 0.00 H new ATOM 0 HA2 GLY B 8 0.673 -18.648 -20.224 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -0.511 -18.538 -21.511 1.00 0.00 H new ATOM 619 N SER B 9 -0.980 -18.183 -18.282 1.00 0.00 N ATOM 620 CA SER B 9 -1.907 -17.580 -17.286 1.00 0.00 C ATOM 621 C SER B 9 -1.175 -17.337 -15.964 1.00 0.00 C ATOM 622 O SER B 9 -1.394 -18.024 -14.986 1.00 0.00 O ATOM 623 CB SER B 9 -3.028 -18.606 -17.100 1.00 0.00 C ATOM 624 OG SER B 9 -2.808 -19.715 -17.961 1.00 0.00 O ATOM 0 H SER B 9 -0.079 -18.483 -17.910 1.00 0.00 H new ATOM 0 HA SER B 9 -2.295 -16.617 -17.618 1.00 0.00 H new ATOM 0 HB2 SER B 9 -3.061 -18.939 -16.063 1.00 0.00 H new ATOM 0 HB3 SER B 9 -3.993 -18.149 -17.319 1.00 0.00 H new ATOM 0 HG SER B 9 -3.526 -20.371 -17.839 1.00 0.00 H new ATOM 630 N TYR B 10 -0.307 -16.363 -15.926 1.00 0.00 N ATOM 631 CA TYR B 10 0.438 -16.076 -14.667 1.00 0.00 C ATOM 632 C TYR B 10 -0.156 -14.849 -13.969 1.00 0.00 C ATOM 633 O TYR B 10 -1.338 -14.587 -14.055 1.00 0.00 O ATOM 634 CB TYR B 10 1.875 -15.798 -15.111 1.00 0.00 C ATOM 635 CG TYR B 10 2.332 -16.889 -16.049 1.00 0.00 C ATOM 636 CD1 TYR B 10 2.776 -18.113 -15.535 1.00 0.00 C ATOM 637 CD2 TYR B 10 2.311 -16.676 -17.433 1.00 0.00 C ATOM 638 CE1 TYR B 10 3.201 -19.125 -16.405 1.00 0.00 C ATOM 639 CE2 TYR B 10 2.736 -17.689 -18.302 1.00 0.00 C ATOM 640 CZ TYR B 10 3.181 -18.912 -17.789 1.00 0.00 C ATOM 641 OH TYR B 10 3.599 -19.910 -18.646 1.00 0.00 O ATOM 0 H TYR B 10 -0.081 -15.754 -16.712 1.00 0.00 H new ATOM 0 HA TYR B 10 0.384 -16.902 -13.958 1.00 0.00 H new ATOM 0 HB2 TYR B 10 1.933 -14.829 -15.607 1.00 0.00 H new ATOM 0 HB3 TYR B 10 2.533 -15.751 -14.243 1.00 0.00 H new ATOM 0 HD1 TYR B 10 2.791 -18.277 -14.468 1.00 0.00 H new ATOM 0 HD2 TYR B 10 1.968 -15.732 -17.830 1.00 0.00 H new ATOM 0 HE1 TYR B 10 3.544 -20.069 -16.009 1.00 0.00 H new ATOM 0 HE2 TYR B 10 2.720 -17.526 -19.369 1.00 0.00 H new ATOM 0 HH TYR B 10 3.521 -19.600 -19.572 1.00 0.00 H new ATOM 651 N ASP B 11 0.656 -14.098 -13.276 1.00 0.00 N ATOM 652 CA ASP B 11 0.140 -12.894 -12.572 1.00 0.00 C ATOM 653 C ASP B 11 -0.257 -11.817 -13.585 1.00 0.00 C ATOM 654 O ASP B 11 -0.177 -12.017 -14.780 1.00 0.00 O ATOM 655 CB ASP B 11 1.303 -12.412 -11.705 1.00 0.00 C ATOM 656 CG ASP B 11 1.373 -13.255 -10.429 1.00 0.00 C ATOM 657 OD1 ASP B 11 0.374 -13.324 -9.733 1.00 0.00 O ATOM 658 OD2 ASP B 11 2.425 -13.816 -10.171 1.00 0.00 O ATOM 0 H ASP B 11 1.656 -14.268 -13.168 1.00 0.00 H new ATOM 0 HA ASP B 11 -0.747 -13.113 -11.978 1.00 0.00 H new ATOM 0 HB2 ASP B 11 2.239 -12.491 -12.257 1.00 0.00 H new ATOM 0 HB3 ASP B 11 1.170 -11.360 -11.452 1.00 0.00 H new ATOM 663 N LEU B 12 -0.683 -10.676 -13.116 1.00 0.00 N ATOM 664 CA LEU B 12 -1.082 -9.586 -14.049 1.00 0.00 C ATOM 665 C LEU B 12 -1.663 -8.405 -13.265 1.00 0.00 C ATOM 666 O LEU B 12 -1.748 -8.433 -12.053 1.00 0.00 O ATOM 667 CB LEU B 12 -2.150 -10.203 -14.954 1.00 0.00 C ATOM 668 CG LEU B 12 -3.137 -11.008 -14.108 1.00 0.00 C ATOM 669 CD1 LEU B 12 -3.936 -10.058 -13.214 1.00 0.00 C ATOM 670 CD2 LEU B 12 -4.096 -11.767 -15.029 1.00 0.00 C ATOM 0 H LEU B 12 -0.772 -10.452 -12.125 1.00 0.00 H new ATOM 0 HA LEU B 12 -0.236 -9.205 -14.621 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -2.677 -9.419 -15.498 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -1.682 -10.848 -15.698 1.00 0.00 H new ATOM 0 HG LEU B 12 -2.589 -11.717 -13.487 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -4.640 -10.632 -12.611 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -3.254 -9.516 -12.559 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -4.484 -9.349 -13.835 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -4.800 -12.341 -14.427 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -4.643 -11.057 -15.649 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -3.528 -12.444 -15.667 1.00 0.00 H new ATOM 682 N GLY B 13 -2.062 -7.367 -13.948 1.00 0.00 N ATOM 683 CA GLY B 13 -2.636 -6.186 -13.243 1.00 0.00 C ATOM 684 C GLY B 13 -3.631 -5.477 -14.163 1.00 0.00 C ATOM 685 O GLY B 13 -4.830 -5.628 -14.030 1.00 0.00 O ATOM 0 H GLY B 13 -2.015 -7.286 -14.964 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -3.134 -6.503 -12.326 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -1.840 -5.500 -12.953 1.00 0.00 H new ATOM 689 N LYS B 14 -3.144 -4.708 -15.098 1.00 0.00 N ATOM 690 CA LYS B 14 -4.060 -3.994 -16.028 1.00 0.00 C ATOM 691 C LYS B 14 -3.338 -3.682 -17.343 1.00 0.00 C ATOM 692 O LYS B 14 -3.220 -4.525 -18.210 1.00 0.00 O ATOM 693 CB LYS B 14 -4.450 -2.708 -15.295 1.00 0.00 C ATOM 694 CG LYS B 14 -5.704 -2.956 -14.453 1.00 0.00 C ATOM 695 CD LYS B 14 -6.816 -3.514 -15.342 1.00 0.00 C ATOM 696 CE LYS B 14 -8.172 -3.003 -14.848 1.00 0.00 C ATOM 697 NZ LYS B 14 -8.116 -1.527 -15.036 1.00 0.00 N ATOM 0 H LYS B 14 -2.150 -4.544 -15.257 1.00 0.00 H new ATOM 0 HA LYS B 14 -4.937 -4.588 -16.287 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -3.630 -2.379 -14.656 1.00 0.00 H new ATOM 0 HB3 LYS B 14 -4.635 -1.910 -16.014 1.00 0.00 H new ATOM 0 HG2 LYS B 14 -5.481 -3.657 -13.648 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -6.030 -2.027 -13.985 1.00 0.00 H new ATOM 0 HD2 LYS B 14 -6.656 -3.210 -16.376 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -6.798 -4.604 -15.324 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -8.991 -3.443 -15.417 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -8.335 -3.262 -13.802 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -9.029 -1.189 -15.401 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -7.916 -1.068 -14.124 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 -7.364 -1.292 -15.715 1.00 0.00 H new ATOM 711 N LYS B 15 -2.853 -2.481 -17.503 1.00 0.00 N ATOM 712 CA LYS B 15 -2.141 -2.126 -18.763 1.00 0.00 C ATOM 713 C LYS B 15 -1.237 -0.912 -18.536 1.00 0.00 C ATOM 714 O LYS B 15 -1.557 -0.040 -17.755 1.00 0.00 O ATOM 715 CB LYS B 15 -3.248 -1.791 -19.764 1.00 0.00 C ATOM 716 CG LYS B 15 -3.938 -3.080 -20.213 1.00 0.00 C ATOM 717 CD LYS B 15 -4.794 -2.799 -21.449 1.00 0.00 C ATOM 718 CE LYS B 15 -6.209 -3.333 -21.224 1.00 0.00 C ATOM 719 NZ LYS B 15 -7.099 -2.386 -21.954 1.00 0.00 N ATOM 0 H LYS B 15 -2.919 -1.730 -16.816 1.00 0.00 H new ATOM 0 HA LYS B 15 -1.502 -2.935 -19.118 1.00 0.00 H new ATOM 0 HB2 LYS B 15 -3.974 -1.118 -19.308 1.00 0.00 H new ATOM 0 HB3 LYS B 15 -2.829 -1.271 -20.626 1.00 0.00 H new ATOM 0 HG2 LYS B 15 -3.194 -3.843 -20.439 1.00 0.00 H new ATOM 0 HG3 LYS B 15 -4.560 -3.471 -19.408 1.00 0.00 H new ATOM 0 HD2 LYS B 15 -4.826 -1.727 -21.646 1.00 0.00 H new ATOM 0 HD3 LYS B 15 -4.351 -3.271 -22.326 1.00 0.00 H new ATOM 0 HE2 LYS B 15 -6.313 -4.348 -21.607 1.00 0.00 H new ATOM 0 HE3 LYS B 15 -6.454 -3.366 -20.162 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 -8.089 -2.687 -21.846 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 -6.983 -1.429 -21.563 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 -6.847 -2.380 -22.963 1.00 0.00 H new ATOM 733 N PRO B 16 -0.135 -0.900 -19.235 1.00 0.00 N ATOM 734 CA PRO B 16 0.836 0.217 -19.115 1.00 0.00 C ATOM 735 C PRO B 16 0.262 1.494 -19.731 1.00 0.00 C ATOM 736 O PRO B 16 0.106 1.607 -20.929 1.00 0.00 O ATOM 737 CB PRO B 16 2.049 -0.278 -19.900 1.00 0.00 C ATOM 738 CG PRO B 16 1.498 -1.277 -20.865 1.00 0.00 C ATOM 739 CD PRO B 16 0.307 -1.913 -20.198 1.00 0.00 C ATOM 0 HA PRO B 16 1.079 0.467 -18.082 1.00 0.00 H new ATOM 0 HB2 PRO B 16 2.545 0.542 -20.420 1.00 0.00 H new ATOM 0 HB3 PRO B 16 2.789 -0.732 -19.240 1.00 0.00 H new ATOM 0 HG2 PRO B 16 1.207 -0.794 -21.798 1.00 0.00 H new ATOM 0 HG3 PRO B 16 2.248 -2.028 -21.115 1.00 0.00 H new ATOM 0 HD2 PRO B 16 -0.476 -2.149 -20.918 1.00 0.00 H new ATOM 0 HD3 PRO B 16 0.576 -2.846 -19.703 1.00 0.00 H new ATOM 747 N ILE B 17 -0.047 2.456 -18.909 1.00 0.00 N ATOM 748 CA ILE B 17 -0.609 3.736 -19.426 1.00 0.00 C ATOM 749 C ILE B 17 0.443 4.843 -19.330 1.00 0.00 C ATOM 750 O ILE B 17 1.392 4.746 -18.581 1.00 0.00 O ATOM 751 CB ILE B 17 -1.818 4.056 -18.533 1.00 0.00 C ATOM 752 CG1 ILE B 17 -1.536 3.648 -17.082 1.00 0.00 C ATOM 753 CG2 ILE B 17 -3.043 3.294 -19.041 1.00 0.00 C ATOM 754 CD1 ILE B 17 -2.370 4.505 -16.132 1.00 0.00 C ATOM 0 H ILE B 17 0.066 2.412 -17.896 1.00 0.00 H new ATOM 0 HA ILE B 17 -0.903 3.659 -20.473 1.00 0.00 H new ATOM 0 HB ILE B 17 -2.005 5.129 -18.569 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -1.773 2.594 -16.938 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -0.476 3.769 -16.860 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -3.901 3.521 -18.408 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -3.259 3.595 -20.066 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -2.843 2.223 -19.011 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -2.166 4.211 -15.102 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -2.111 5.555 -16.267 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -3.429 4.361 -16.347 1.00 0.00 H new ATOM 766 N TYR B 18 0.290 5.895 -20.087 1.00 0.00 N ATOM 767 CA TYR B 18 1.292 6.998 -20.034 1.00 0.00 C ATOM 768 C TYR B 18 0.606 8.334 -19.736 1.00 0.00 C ATOM 769 O TYR B 18 0.058 8.971 -20.613 1.00 0.00 O ATOM 770 CB TYR B 18 1.929 7.020 -21.423 1.00 0.00 C ATOM 771 CG TYR B 18 3.431 7.101 -21.291 1.00 0.00 C ATOM 772 CD1 TYR B 18 4.091 6.338 -20.319 1.00 0.00 C ATOM 773 CD2 TYR B 18 4.165 7.938 -22.140 1.00 0.00 C ATOM 774 CE1 TYR B 18 5.484 6.413 -20.197 1.00 0.00 C ATOM 775 CE2 TYR B 18 5.558 8.013 -22.017 1.00 0.00 C ATOM 776 CZ TYR B 18 6.217 7.251 -21.045 1.00 0.00 C ATOM 777 OH TYR B 18 7.590 7.325 -20.925 1.00 0.00 O ATOM 0 H TYR B 18 -0.482 6.039 -20.738 1.00 0.00 H new ATOM 0 HA TYR B 18 2.030 6.843 -19.247 1.00 0.00 H new ATOM 0 HB2 TYR B 18 1.650 6.123 -21.976 1.00 0.00 H new ATOM 0 HB3 TYR B 18 1.557 7.873 -21.991 1.00 0.00 H new ATOM 0 HD1 TYR B 18 3.526 5.692 -19.664 1.00 0.00 H new ATOM 0 HD2 TYR B 18 3.657 8.526 -22.890 1.00 0.00 H new ATOM 0 HE1 TYR B 18 5.993 5.824 -19.448 1.00 0.00 H new ATOM 0 HE2 TYR B 18 6.124 8.659 -22.672 1.00 0.00 H new ATOM 0 HH TYR B 18 7.943 7.952 -21.590 1.00 0.00 H new ATOM 787 N LYS B 19 0.637 8.763 -18.504 1.00 0.00 N ATOM 788 CA LYS B 19 -0.006 10.058 -18.147 1.00 0.00 C ATOM 789 C LYS B 19 0.830 10.788 -17.094 1.00 0.00 C ATOM 790 O LYS B 19 1.311 10.194 -16.149 1.00 0.00 O ATOM 791 CB LYS B 19 -1.375 9.679 -17.579 1.00 0.00 C ATOM 792 CG LYS B 19 -2.476 10.281 -18.454 1.00 0.00 C ATOM 793 CD LYS B 19 -2.575 9.497 -19.764 1.00 0.00 C ATOM 794 CE LYS B 19 -2.294 10.432 -20.942 1.00 0.00 C ATOM 795 NZ LYS B 19 -3.627 10.697 -21.547 1.00 0.00 N ATOM 0 H LYS B 19 1.081 8.271 -17.728 1.00 0.00 H new ATOM 0 HA LYS B 19 -0.093 10.727 -19.003 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -1.477 8.594 -17.542 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -1.469 10.043 -16.556 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -3.430 10.252 -17.928 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -2.258 11.329 -18.661 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -1.861 8.673 -19.762 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -3.568 9.058 -19.863 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -1.821 11.356 -20.609 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -1.619 9.969 -21.661 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -3.518 11.332 -22.363 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -4.050 9.800 -21.861 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -4.246 11.144 -20.841 1.00 0.00 H new ATOM 809 N LYS B 20 1.010 12.071 -17.248 1.00 0.00 N ATOM 810 CA LYS B 20 1.816 12.836 -16.257 1.00 0.00 C ATOM 811 C LYS B 20 2.017 14.276 -16.736 1.00 0.00 C ATOM 812 O LYS B 20 2.239 14.527 -17.905 1.00 0.00 O ATOM 813 CB LYS B 20 3.156 12.104 -16.184 1.00 0.00 C ATOM 814 CG LYS B 20 3.441 11.702 -14.735 1.00 0.00 C ATOM 815 CD LYS B 20 4.421 12.698 -14.112 1.00 0.00 C ATOM 816 CE LYS B 20 3.958 13.056 -12.698 1.00 0.00 C ATOM 817 NZ LYS B 20 5.047 13.905 -12.141 1.00 0.00 N ATOM 0 H LYS B 20 0.633 12.623 -18.019 1.00 0.00 H new ATOM 0 HA LYS B 20 1.328 12.890 -15.284 1.00 0.00 H new ATOM 0 HB2 LYS B 20 3.134 11.219 -16.820 1.00 0.00 H new ATOM 0 HB3 LYS B 20 3.954 12.746 -16.558 1.00 0.00 H new ATOM 0 HG2 LYS B 20 2.513 11.682 -14.163 1.00 0.00 H new ATOM 0 HG3 LYS B 20 3.858 10.696 -14.701 1.00 0.00 H new ATOM 0 HD2 LYS B 20 5.422 12.267 -14.080 1.00 0.00 H new ATOM 0 HD3 LYS B 20 4.480 13.597 -14.725 1.00 0.00 H new ATOM 0 HE2 LYS B 20 3.009 13.593 -12.717 1.00 0.00 H new ATOM 0 HE3 LYS B 20 3.806 12.162 -12.094 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 5.206 13.656 -11.144 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 5.922 13.746 -12.681 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 4.775 14.907 -12.209 1.00 0.00 H new ATOM 831 N ALA B 21 1.937 15.225 -15.844 1.00 0.00 N ATOM 832 CA ALA B 21 2.123 16.648 -16.250 1.00 0.00 C ATOM 833 C ALA B 21 3.417 17.204 -15.652 1.00 0.00 C ATOM 834 O ALA B 21 4.122 16.513 -14.942 1.00 0.00 O ATOM 835 CB ALA B 21 0.909 17.383 -15.681 1.00 0.00 C ATOM 0 H ALA B 21 1.751 15.077 -14.852 1.00 0.00 H new ATOM 0 HA ALA B 21 2.199 16.763 -17.331 1.00 0.00 H new ATOM 0 HB1 ALA B 21 0.971 18.441 -15.937 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -0.003 16.960 -16.103 1.00 0.00 H new ATOM 0 HB3 ALA B 21 0.892 17.273 -14.597 1.00 0.00 H new ATOM 841 N PRO B 22 3.686 18.444 -15.962 1.00 0.00 N ATOM 842 CA PRO B 22 4.909 19.110 -15.451 1.00 0.00 C ATOM 843 C PRO B 22 4.761 19.428 -13.960 1.00 0.00 C ATOM 844 O PRO B 22 4.793 20.573 -13.554 1.00 0.00 O ATOM 845 CB PRO B 22 4.988 20.392 -16.275 1.00 0.00 C ATOM 846 CG PRO B 22 3.581 20.664 -16.706 1.00 0.00 C ATOM 847 CD PRO B 22 2.883 19.331 -16.809 1.00 0.00 C ATOM 0 HA PRO B 22 5.804 18.494 -15.543 1.00 0.00 H new ATOM 0 HB2 PRO B 22 5.386 21.217 -15.684 1.00 0.00 H new ATOM 0 HB3 PRO B 22 5.647 20.269 -17.134 1.00 0.00 H new ATOM 0 HG2 PRO B 22 3.076 21.309 -15.987 1.00 0.00 H new ATOM 0 HG3 PRO B 22 3.565 21.182 -17.665 1.00 0.00 H new ATOM 0 HD2 PRO B 22 1.852 19.392 -16.459 1.00 0.00 H new ATOM 0 HD3 PRO B 22 2.849 18.977 -17.839 1.00 0.00 H new ATOM 855 N THR B 23 4.599 18.422 -13.144 1.00 0.00 N ATOM 856 CA THR B 23 4.449 18.665 -11.681 1.00 0.00 C ATOM 857 C THR B 23 5.443 19.732 -11.214 1.00 0.00 C ATOM 858 O THR B 23 5.212 20.428 -10.246 1.00 0.00 O ATOM 859 CB THR B 23 4.757 17.320 -11.022 1.00 0.00 C ATOM 860 OG1 THR B 23 4.339 16.268 -11.881 1.00 0.00 O ATOM 861 CG2 THR B 23 4.013 17.219 -9.690 1.00 0.00 C ATOM 0 H THR B 23 4.564 17.443 -13.427 1.00 0.00 H new ATOM 0 HA THR B 23 3.453 19.027 -11.424 1.00 0.00 H new ATOM 0 HB THR B 23 5.829 17.240 -10.843 1.00 0.00 H new ATOM 0 HG1 THR B 23 3.533 15.848 -11.515 1.00 0.00 H new ATOM 0 HG21 THR B 23 4.234 16.260 -9.222 1.00 0.00 H new ATOM 0 HG22 THR B 23 4.334 18.026 -9.032 1.00 0.00 H new ATOM 0 HG23 THR B 23 2.940 17.299 -9.866 1.00 0.00 H new ATOM 869 N ASN B 24 6.548 19.865 -11.895 1.00 0.00 N ATOM 870 CA ASN B 24 7.556 20.886 -11.490 1.00 0.00 C ATOM 871 C ASN B 24 6.872 22.234 -11.241 1.00 0.00 C ATOM 872 O ASN B 24 6.088 22.700 -12.043 1.00 0.00 O ATOM 873 CB ASN B 24 8.518 20.984 -12.673 1.00 0.00 C ATOM 874 CG ASN B 24 9.012 19.586 -13.048 1.00 0.00 C ATOM 875 OD1 ASN B 24 9.288 19.315 -14.200 1.00 0.00 O ATOM 876 ND2 ASN B 24 9.135 18.680 -12.117 1.00 0.00 N ATOM 0 H ASN B 24 6.797 19.311 -12.714 1.00 0.00 H new ATOM 0 HA ASN B 24 8.071 20.615 -10.568 1.00 0.00 H new ATOM 0 HB2 ASN B 24 8.018 21.445 -13.525 1.00 0.00 H new ATOM 0 HB3 ASN B 24 9.363 21.623 -12.416 1.00 0.00 H new ATOM 0 HD21 ASN B 24 9.463 17.744 -12.356 1.00 0.00 H new ATOM 0 HD22 ASN B 24 8.903 18.908 -11.150 1.00 0.00 H new ATOM 883 N GLU B 25 7.163 22.862 -10.134 1.00 0.00 N ATOM 884 CA GLU B 25 6.529 24.178 -9.835 1.00 0.00 C ATOM 885 C GLU B 25 7.289 24.888 -8.711 1.00 0.00 C ATOM 886 O GLU B 25 6.747 25.722 -8.013 1.00 0.00 O ATOM 887 CB GLU B 25 5.105 23.840 -9.391 1.00 0.00 C ATOM 888 CG GLU B 25 4.107 24.661 -10.208 1.00 0.00 C ATOM 889 CD GLU B 25 3.195 25.445 -9.262 1.00 0.00 C ATOM 890 OE1 GLU B 25 2.550 24.819 -8.437 1.00 0.00 O ATOM 891 OE2 GLU B 25 3.157 26.660 -9.378 1.00 0.00 O ATOM 0 H GLU B 25 7.812 22.521 -9.424 1.00 0.00 H new ATOM 0 HA GLU B 25 6.539 24.847 -10.696 1.00 0.00 H new ATOM 0 HB2 GLU B 25 4.914 22.776 -9.527 1.00 0.00 H new ATOM 0 HB3 GLU B 25 4.984 24.053 -8.329 1.00 0.00 H new ATOM 0 HG2 GLU B 25 4.638 25.346 -10.869 1.00 0.00 H new ATOM 0 HG3 GLU B 25 3.512 24.004 -10.842 1.00 0.00 H new ATOM 898 N PHE B 26 8.540 24.563 -8.531 1.00 0.00 N ATOM 899 CA PHE B 26 9.332 25.220 -7.452 1.00 0.00 C ATOM 900 C PHE B 26 8.539 25.226 -6.142 1.00 0.00 C ATOM 901 O PHE B 26 8.180 26.267 -5.628 1.00 0.00 O ATOM 902 CB PHE B 26 9.565 26.649 -7.945 1.00 0.00 C ATOM 903 CG PHE B 26 10.979 26.781 -8.455 1.00 0.00 C ATOM 904 CD1 PHE B 26 11.529 25.779 -9.266 1.00 0.00 C ATOM 905 CD2 PHE B 26 11.742 27.906 -8.119 1.00 0.00 C ATOM 906 CE1 PHE B 26 12.840 25.903 -9.739 1.00 0.00 C ATOM 907 CE2 PHE B 26 13.054 28.030 -8.593 1.00 0.00 C ATOM 908 CZ PHE B 26 13.602 27.028 -9.403 1.00 0.00 C ATOM 0 H PHE B 26 9.048 23.872 -9.083 1.00 0.00 H new ATOM 0 HA PHE B 26 10.269 24.700 -7.253 1.00 0.00 H new ATOM 0 HB2 PHE B 26 8.857 26.892 -8.738 1.00 0.00 H new ATOM 0 HB3 PHE B 26 9.392 27.357 -7.135 1.00 0.00 H new ATOM 0 HD1 PHE B 26 10.941 24.911 -9.526 1.00 0.00 H new ATOM 0 HD2 PHE B 26 11.319 28.678 -7.494 1.00 0.00 H new ATOM 0 HE1 PHE B 26 13.264 25.131 -10.363 1.00 0.00 H new ATOM 0 HE2 PHE B 26 13.643 28.898 -8.334 1.00 0.00 H new ATOM 0 HZ PHE B 26 14.614 27.123 -9.769 1.00 0.00 H new ATOM 918 N TYR B 27 8.263 24.072 -5.599 1.00 0.00 N ATOM 919 CA TYR B 27 7.494 24.013 -4.324 1.00 0.00 C ATOM 920 C TYR B 27 8.244 23.166 -3.292 1.00 0.00 C ATOM 921 O TYR B 27 7.757 22.918 -2.207 1.00 0.00 O ATOM 922 CB TYR B 27 6.164 23.355 -4.694 1.00 0.00 C ATOM 923 CG TYR B 27 5.031 24.099 -4.027 1.00 0.00 C ATOM 924 CD1 TYR B 27 5.155 24.516 -2.698 1.00 0.00 C ATOM 925 CD2 TYR B 27 3.857 24.370 -4.740 1.00 0.00 C ATOM 926 CE1 TYR B 27 4.104 25.206 -2.080 1.00 0.00 C ATOM 927 CE2 TYR B 27 2.806 25.059 -4.123 1.00 0.00 C ATOM 928 CZ TYR B 27 2.930 25.478 -2.793 1.00 0.00 C ATOM 929 OH TYR B 27 1.895 26.157 -2.183 1.00 0.00 O ATOM 0 H TYR B 27 8.537 23.168 -5.983 1.00 0.00 H new ATOM 0 HA TYR B 27 7.352 24.999 -3.881 1.00 0.00 H new ATOM 0 HB2 TYR B 27 6.031 23.362 -5.776 1.00 0.00 H new ATOM 0 HB3 TYR B 27 6.163 22.311 -4.380 1.00 0.00 H new ATOM 0 HD1 TYR B 27 6.061 24.306 -2.148 1.00 0.00 H new ATOM 0 HD2 TYR B 27 3.762 24.047 -5.766 1.00 0.00 H new ATOM 0 HE1 TYR B 27 4.199 25.528 -1.054 1.00 0.00 H new ATOM 0 HE2 TYR B 27 1.900 25.267 -4.673 1.00 0.00 H new ATOM 0 HH TYR B 27 1.155 26.264 -2.817 1.00 0.00 H new ATOM 939 N ALA B 28 9.425 22.721 -3.622 1.00 0.00 N ATOM 940 CA ALA B 28 10.204 21.890 -2.659 1.00 0.00 C ATOM 941 C ALA B 28 11.602 21.607 -3.216 1.00 0.00 C ATOM 942 O ALA B 28 11.721 20.714 -4.039 1.00 0.00 O ATOM 943 CB ALA B 28 9.409 20.593 -2.521 1.00 0.00 C ATOM 944 OXT ALA B 28 12.529 22.288 -2.809 1.00 0.00 O ATOM 0 H ALA B 28 9.885 22.896 -4.516 1.00 0.00 H new ATOM 0 HA ALA B 28 10.340 22.388 -1.699 1.00 0.00 H new ATOM 0 HB1 ALA B 28 9.919 19.926 -1.826 1.00 0.00 H new ATOM 0 HB2 ALA B 28 8.411 20.816 -2.143 1.00 0.00 H new ATOM 0 HB3 ALA B 28 9.329 20.110 -3.495 1.00 0.00 H new TER 950 ALA B 28