USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=16 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: A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 ARG N :NH3+ -144:sc= -0.254 (180deg=-1.78!) 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 32:sc= 1.23 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -174:sc= 0.932 (180deg=0.803) USER MOD Single : A 15 LYS NZ :NH3+ 147:sc= -0.109 (180deg=-0.871) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.717 K(o=-0.72,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 ARG N :NH3+ -145:sc= -0.223 (180deg=-1.7!) 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 62:sc= 1.23 USER MOD Single : B 10 TYR OH : rot 180:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ -173:sc= 0.98 (180deg=0.88) USER MOD Single : B 15 LYS NZ :NH3+ -118:sc= -0.118 (180deg=-0.903) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 23 THR OG1 : rot 180:sc= 0 USER MOD Single : B 24 ASN : amide:sc= -0.753 K(o=-0.75,f=0) USER MOD Single : B 27 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -14.180 -18.589 -40.729 1.00 0.00 N ATOM 2 CA ARG A 1 -15.029 -19.209 -39.672 1.00 0.00 C ATOM 3 C ARG A 1 -14.254 -20.319 -38.954 1.00 0.00 C ATOM 4 O ARG A 1 -13.912 -21.327 -39.538 1.00 0.00 O ATOM 5 CB ARG A 1 -16.230 -19.791 -40.419 1.00 0.00 C ATOM 6 CG ARG A 1 -17.022 -18.657 -41.073 1.00 0.00 C ATOM 7 CD ARG A 1 -17.969 -19.238 -42.126 1.00 0.00 C ATOM 8 NE ARG A 1 -18.554 -18.052 -42.811 1.00 0.00 N ATOM 9 CZ ARG A 1 -19.848 -17.939 -42.929 1.00 0.00 C ATOM 10 NH1 ARG A 1 -20.549 -18.932 -43.408 1.00 0.00 N ATOM 11 NH2 ARG A 1 -20.444 -16.835 -42.570 1.00 0.00 N ATOM 0 H1 ARG A 1 -14.380 -17.570 -40.782 1.00 0.00 H new ATOM 0 H2 ARG A 1 -13.176 -18.733 -40.497 1.00 0.00 H new ATOM 0 H3 ARG A 1 -14.390 -19.031 -41.647 1.00 0.00 H new ATOM 0 HA ARG A 1 -15.332 -18.490 -38.911 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -15.893 -20.498 -41.177 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -16.868 -20.344 -39.729 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -17.590 -18.113 -40.318 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -16.341 -17.943 -41.535 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -17.434 -19.876 -42.829 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -18.744 -19.850 -41.665 1.00 0.00 H new ATOM 0 HE ARG A 1 -17.942 -17.328 -43.188 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -20.084 -19.795 -43.690 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -21.561 -18.844 -43.500 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -19.898 -16.059 -42.196 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -21.456 -16.748 -42.663 1.00 0.00 H new ATOM 27 N MET A 2 -13.975 -20.139 -37.693 1.00 0.00 N ATOM 28 CA MET A 2 -13.222 -21.183 -36.939 1.00 0.00 C ATOM 29 C MET A 2 -14.125 -21.827 -35.884 1.00 0.00 C ATOM 30 O MET A 2 -15.282 -21.483 -35.749 1.00 0.00 O ATOM 31 CB MET A 2 -12.066 -20.436 -36.274 1.00 0.00 C ATOM 32 CG MET A 2 -11.247 -19.708 -37.341 1.00 0.00 C ATOM 33 SD MET A 2 -11.084 -17.963 -36.891 1.00 0.00 S ATOM 34 CE MET A 2 -9.336 -18.010 -36.424 1.00 0.00 C ATOM 0 H MET A 2 -14.235 -19.315 -37.151 1.00 0.00 H new ATOM 0 HA MET A 2 -12.868 -21.986 -37.586 1.00 0.00 H new ATOM 0 HB2 MET A 2 -12.451 -19.722 -35.546 1.00 0.00 H new ATOM 0 HB3 MET A 2 -11.433 -21.136 -35.729 1.00 0.00 H new ATOM 0 HG2 MET A 2 -10.261 -20.165 -37.432 1.00 0.00 H new ATOM 0 HG3 MET A 2 -11.732 -19.800 -38.313 1.00 0.00 H new ATOM 0 HE1 MET A 2 -9.017 -17.017 -36.106 1.00 0.00 H new ATOM 0 HE2 MET A 2 -9.197 -18.715 -35.605 1.00 0.00 H new ATOM 0 HE3 MET A 2 -8.739 -18.326 -37.280 1.00 0.00 H new ATOM 44 N LYS A 3 -13.604 -22.759 -35.133 1.00 0.00 N ATOM 45 CA LYS A 3 -14.433 -23.424 -34.086 1.00 0.00 C ATOM 46 C LYS A 3 -13.555 -24.314 -33.204 1.00 0.00 C ATOM 47 O LYS A 3 -13.980 -25.351 -32.733 1.00 0.00 O ATOM 48 CB LYS A 3 -15.445 -24.268 -34.861 1.00 0.00 C ATOM 49 CG LYS A 3 -14.706 -25.309 -35.703 1.00 0.00 C ATOM 50 CD LYS A 3 -15.633 -25.830 -36.803 1.00 0.00 C ATOM 51 CE LYS A 3 -15.722 -24.797 -37.928 1.00 0.00 C ATOM 52 NZ LYS A 3 -15.711 -25.596 -39.185 1.00 0.00 N ATOM 0 H LYS A 3 -12.641 -23.089 -35.199 1.00 0.00 H new ATOM 0 HA LYS A 3 -14.921 -22.706 -33.426 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -16.127 -24.762 -34.169 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -16.051 -23.629 -35.504 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -13.813 -24.867 -36.145 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -14.375 -26.134 -35.072 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -15.257 -26.776 -37.193 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -16.625 -26.025 -36.395 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -16.631 -24.202 -37.846 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -14.882 -24.103 -37.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -15.769 -24.957 -40.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -14.831 -26.147 -39.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -16.525 -26.243 -39.192 1.00 0.00 H new ATOM 66 N LYS A 4 -12.333 -23.919 -32.975 1.00 0.00 N ATOM 67 CA LYS A 4 -11.429 -24.744 -32.122 1.00 0.00 C ATOM 68 C LYS A 4 -10.433 -23.846 -31.383 1.00 0.00 C ATOM 69 O LYS A 4 -10.533 -22.636 -31.420 1.00 0.00 O ATOM 70 CB LYS A 4 -10.698 -25.667 -33.097 1.00 0.00 C ATOM 71 CG LYS A 4 -11.713 -26.558 -33.816 1.00 0.00 C ATOM 72 CD LYS A 4 -10.976 -27.536 -34.733 1.00 0.00 C ATOM 73 CE LYS A 4 -11.240 -27.164 -36.194 1.00 0.00 C ATOM 74 NZ LYS A 4 -11.929 -28.350 -36.773 1.00 0.00 N ATOM 0 H LYS A 4 -11.921 -23.061 -33.341 1.00 0.00 H new ATOM 0 HA LYS A 4 -11.975 -25.304 -31.363 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -10.138 -25.077 -33.823 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -9.975 -26.281 -32.560 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -12.311 -27.106 -33.088 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -12.402 -25.946 -34.398 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.906 -27.508 -34.527 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -11.311 -28.555 -34.540 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.861 -26.271 -36.268 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.310 -26.951 -36.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.144 -28.172 -37.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.311 -29.183 -36.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.814 -28.525 -36.255 1.00 0.00 H new ATOM 88 N LYS A 5 -9.475 -24.434 -30.715 1.00 0.00 N ATOM 89 CA LYS A 5 -8.463 -23.625 -29.968 1.00 0.00 C ATOM 90 C LYS A 5 -9.126 -22.412 -29.309 1.00 0.00 C ATOM 91 O LYS A 5 -10.323 -22.379 -29.107 1.00 0.00 O ATOM 92 CB LYS A 5 -7.447 -23.182 -31.023 1.00 0.00 C ATOM 93 CG LYS A 5 -8.074 -22.121 -31.932 1.00 0.00 C ATOM 94 CD LYS A 5 -6.978 -21.450 -32.762 1.00 0.00 C ATOM 95 CE LYS A 5 -6.748 -22.247 -34.048 1.00 0.00 C ATOM 96 NZ LYS A 5 -7.520 -21.519 -35.094 1.00 0.00 N ATOM 0 H LYS A 5 -9.349 -25.444 -30.654 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.993 -24.196 -29.167 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.557 -22.779 -30.538 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.127 -24.039 -31.616 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.813 -22.580 -32.589 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.598 -21.377 -31.333 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.265 -20.427 -33.003 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.054 -21.395 -32.186 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.688 -22.294 -34.300 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.096 -23.275 -33.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -7.412 -22.005 -36.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.526 -21.497 -34.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -7.162 -20.546 -35.176 1.00 0.00 H new ATOM 110 N ASP A 6 -8.354 -21.415 -28.971 1.00 0.00 N ATOM 111 CA ASP A 6 -8.940 -20.205 -28.324 1.00 0.00 C ATOM 112 C ASP A 6 -7.826 -19.267 -27.851 1.00 0.00 C ATOM 113 O ASP A 6 -6.665 -19.463 -28.154 1.00 0.00 O ATOM 114 CB ASP A 6 -9.734 -20.738 -27.132 1.00 0.00 C ATOM 115 CG ASP A 6 -11.230 -20.646 -27.433 1.00 0.00 C ATOM 116 OD1 ASP A 6 -11.571 -20.448 -28.588 1.00 0.00 O ATOM 117 OD2 ASP A 6 -12.011 -20.776 -26.503 1.00 0.00 O ATOM 0 H ASP A 6 -7.345 -21.385 -29.114 1.00 0.00 H new ATOM 0 HA ASP A 6 -9.567 -19.634 -29.008 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -9.456 -21.772 -26.930 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -9.496 -20.163 -26.237 1.00 0.00 H new ATOM 122 N GLU A 7 -8.169 -18.248 -27.111 1.00 0.00 N ATOM 123 CA GLU A 7 -7.130 -17.299 -26.620 1.00 0.00 C ATOM 124 C GLU A 7 -6.029 -18.059 -25.876 1.00 0.00 C ATOM 125 O GLU A 7 -5.986 -19.273 -25.882 1.00 0.00 O ATOM 126 CB GLU A 7 -7.870 -16.360 -25.668 1.00 0.00 C ATOM 127 CG GLU A 7 -9.125 -15.820 -26.356 1.00 0.00 C ATOM 128 CD GLU A 7 -9.543 -14.503 -25.699 1.00 0.00 C ATOM 129 OE1 GLU A 7 -8.675 -13.828 -25.170 1.00 0.00 O ATOM 130 OE2 GLU A 7 -10.721 -14.191 -25.738 1.00 0.00 O ATOM 0 H GLU A 7 -9.124 -18.032 -26.825 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.648 -16.757 -27.434 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.142 -16.891 -24.756 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.220 -15.536 -25.375 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.932 -15.664 -27.417 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.934 -16.547 -26.283 1.00 0.00 H new ATOM 137 N GLY A 8 -5.138 -17.355 -25.234 1.00 0.00 N ATOM 138 CA GLY A 8 -4.041 -18.037 -24.491 1.00 0.00 C ATOM 139 C GLY A 8 -4.527 -18.406 -23.088 1.00 0.00 C ATOM 140 O GLY A 8 -5.153 -19.428 -22.886 1.00 0.00 O ATOM 0 H GLY A 8 -5.122 -16.336 -25.192 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -3.727 -18.933 -25.026 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -3.171 -17.384 -24.426 1.00 0.00 H new ATOM 144 N SER A 9 -4.244 -17.582 -22.116 1.00 0.00 N ATOM 145 CA SER A 9 -4.692 -17.883 -20.730 1.00 0.00 C ATOM 146 C SER A 9 -4.458 -16.672 -19.823 1.00 0.00 C ATOM 147 O SER A 9 -5.316 -15.826 -19.668 1.00 0.00 O ATOM 148 CB SER A 9 -3.833 -19.065 -20.282 1.00 0.00 C ATOM 149 OG SER A 9 -4.545 -20.275 -20.508 1.00 0.00 O ATOM 0 H SER A 9 -3.721 -16.713 -22.224 1.00 0.00 H new ATOM 0 HA SER A 9 -5.756 -18.113 -20.682 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.892 -19.075 -20.832 1.00 0.00 H new ATOM 0 HB3 SER A 9 -3.583 -18.968 -19.225 1.00 0.00 H new ATOM 0 HG SER A 9 -5.124 -20.172 -21.292 1.00 0.00 H new ATOM 155 N TYR A 10 -3.302 -16.585 -19.222 1.00 0.00 N ATOM 156 CA TYR A 10 -3.011 -15.430 -18.322 1.00 0.00 C ATOM 157 C TYR A 10 -3.536 -14.129 -18.939 1.00 0.00 C ATOM 158 O TYR A 10 -2.970 -13.599 -19.874 1.00 0.00 O ATOM 159 CB TYR A 10 -1.485 -15.397 -18.196 1.00 0.00 C ATOM 160 CG TYR A 10 -0.867 -15.030 -19.527 1.00 0.00 C ATOM 161 CD1 TYR A 10 -0.745 -15.994 -20.534 1.00 0.00 C ATOM 162 CD2 TYR A 10 -0.413 -13.724 -19.750 1.00 0.00 C ATOM 163 CE1 TYR A 10 -0.170 -15.653 -21.764 1.00 0.00 C ATOM 164 CE2 TYR A 10 0.162 -13.384 -20.980 1.00 0.00 C ATOM 165 CZ TYR A 10 0.282 -14.348 -21.987 1.00 0.00 C ATOM 166 OH TYR A 10 0.849 -14.011 -23.200 1.00 0.00 O ATOM 0 H TYR A 10 -2.546 -17.263 -19.315 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.494 -15.532 -17.350 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.190 -14.674 -17.436 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.117 -16.370 -17.870 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.095 -17.001 -20.362 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.507 -12.980 -18.973 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.075 -16.397 -22.541 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.513 -12.377 -21.152 1.00 0.00 H new ATOM 0 HH TYR A 10 1.108 -13.066 -23.189 1.00 0.00 H new ATOM 176 N ASP A 11 -4.618 -13.614 -18.424 1.00 0.00 N ATOM 177 CA ASP A 11 -5.182 -12.353 -18.978 1.00 0.00 C ATOM 178 C ASP A 11 -4.339 -11.155 -18.533 1.00 0.00 C ATOM 179 O ASP A 11 -3.131 -11.233 -18.437 1.00 0.00 O ATOM 180 CB ASP A 11 -6.593 -12.263 -18.398 1.00 0.00 C ATOM 181 CG ASP A 11 -6.513 -11.933 -16.906 1.00 0.00 C ATOM 182 OD1 ASP A 11 -5.479 -12.199 -16.316 1.00 0.00 O ATOM 183 OD2 ASP A 11 -7.487 -11.420 -16.380 1.00 0.00 O ATOM 0 H ASP A 11 -5.136 -14.014 -17.642 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.189 -12.347 -20.068 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -7.164 -11.496 -18.921 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -7.119 -13.207 -18.545 1.00 0.00 H new ATOM 188 N LEU A 12 -4.970 -10.045 -18.258 1.00 0.00 N ATOM 189 CA LEU A 12 -4.207 -8.842 -17.818 1.00 0.00 C ATOM 190 C LEU A 12 -3.072 -8.542 -18.800 1.00 0.00 C ATOM 191 O LEU A 12 -2.810 -9.302 -19.712 1.00 0.00 O ATOM 192 CB LEU A 12 -3.644 -9.212 -16.445 1.00 0.00 C ATOM 193 CG LEU A 12 -4.782 -9.271 -15.426 1.00 0.00 C ATOM 194 CD1 LEU A 12 -4.200 -9.442 -14.021 1.00 0.00 C ATOM 195 CD2 LEU A 12 -5.589 -7.974 -15.487 1.00 0.00 C ATOM 0 H LEU A 12 -5.980 -9.920 -18.319 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.832 -7.950 -17.777 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.137 -10.176 -16.496 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.901 -8.477 -16.135 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.432 -10.115 -15.656 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.011 -9.484 -13.294 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.624 -10.366 -13.976 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.550 -8.598 -13.791 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.401 -8.016 -14.760 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.939 -7.130 -15.257 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.004 -7.850 -16.487 1.00 0.00 H new ATOM 207 N GLY A 13 -2.397 -7.441 -18.621 1.00 0.00 N ATOM 208 CA GLY A 13 -1.279 -7.092 -19.544 1.00 0.00 C ATOM 209 C GLY A 13 0.035 -7.053 -18.762 1.00 0.00 C ATOM 210 O GLY A 13 0.929 -7.844 -18.992 1.00 0.00 O ATOM 0 H GLY A 13 -2.571 -6.767 -17.875 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.215 -7.825 -20.348 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.466 -6.124 -20.010 1.00 0.00 H new ATOM 214 N LYS A 14 0.159 -6.142 -17.835 1.00 0.00 N ATOM 215 CA LYS A 14 1.415 -6.056 -17.038 1.00 0.00 C ATOM 216 C LYS A 14 1.235 -5.087 -15.866 1.00 0.00 C ATOM 217 O LYS A 14 0.747 -5.453 -14.816 1.00 0.00 O ATOM 218 CB LYS A 14 2.473 -5.541 -18.017 1.00 0.00 C ATOM 219 CG LYS A 14 3.218 -6.725 -18.635 1.00 0.00 C ATOM 220 CD LYS A 14 2.961 -6.760 -20.142 1.00 0.00 C ATOM 221 CE LYS A 14 3.247 -8.165 -20.678 1.00 0.00 C ATOM 222 NZ LYS A 14 1.991 -8.579 -21.362 1.00 0.00 N ATOM 0 H LYS A 14 -0.555 -5.454 -17.596 1.00 0.00 H new ATOM 0 HA LYS A 14 1.699 -7.016 -16.607 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.001 -4.947 -18.799 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.175 -4.887 -17.499 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.287 -6.638 -18.440 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.885 -7.657 -18.177 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.928 -6.483 -20.352 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.595 -6.031 -20.647 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.090 -8.160 -21.369 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.501 -8.851 -19.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.072 -9.570 -21.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.190 -8.484 -20.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.832 -7.973 -22.192 1.00 0.00 H new ATOM 236 N LYS A 15 1.624 -3.855 -16.035 1.00 0.00 N ATOM 237 CA LYS A 15 1.474 -2.866 -14.929 1.00 0.00 C ATOM 238 C LYS A 15 1.180 -1.475 -15.501 1.00 0.00 C ATOM 239 O LYS A 15 1.838 -1.033 -16.421 1.00 0.00 O ATOM 240 CB LYS A 15 2.821 -2.873 -14.205 1.00 0.00 C ATOM 241 CG LYS A 15 2.944 -4.150 -13.371 1.00 0.00 C ATOM 242 CD LYS A 15 4.026 -3.962 -12.305 1.00 0.00 C ATOM 243 CE LYS A 15 4.449 -5.328 -11.760 1.00 0.00 C ATOM 244 NZ LYS A 15 5.244 -5.949 -12.856 1.00 0.00 N ATOM 0 H LYS A 15 2.040 -3.489 -16.891 1.00 0.00 H new ATOM 0 HA LYS A 15 0.651 -3.116 -14.260 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.635 -2.818 -14.928 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.905 -1.997 -13.563 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.989 -4.382 -12.898 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.195 -4.994 -14.014 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.886 -3.447 -12.732 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.649 -3.337 -11.496 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.042 -5.224 -10.852 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.582 -5.938 -11.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.992 -6.544 -12.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.621 -6.534 -13.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.675 -5.203 -13.438 1.00 0.00 H new ATOM 258 N PRO A 16 0.196 -0.833 -14.931 1.00 0.00 N ATOM 259 CA PRO A 16 -0.197 0.523 -15.389 1.00 0.00 C ATOM 260 C PRO A 16 0.848 1.558 -14.968 1.00 0.00 C ATOM 261 O PRO A 16 1.563 1.377 -14.001 1.00 0.00 O ATOM 262 CB PRO A 16 -1.526 0.769 -14.680 1.00 0.00 C ATOM 263 CG PRO A 16 -1.487 -0.109 -13.470 1.00 0.00 C ATOM 264 CD PRO A 16 -0.636 -1.303 -13.818 1.00 0.00 C ATOM 0 HA PRO A 16 -0.277 0.601 -16.473 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.638 1.817 -14.404 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.369 0.517 -15.323 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.069 0.427 -12.618 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.492 -0.421 -13.188 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -0.028 -1.620 -12.971 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.247 -2.157 -14.109 1.00 0.00 H new ATOM 272 N ILE A 17 0.944 2.642 -15.688 1.00 0.00 N ATOM 273 CA ILE A 17 1.941 3.691 -15.335 1.00 0.00 C ATOM 274 C ILE A 17 1.274 5.069 -15.354 1.00 0.00 C ATOM 275 O ILE A 17 0.073 5.182 -15.495 1.00 0.00 O ATOM 276 CB ILE A 17 3.022 3.603 -16.414 1.00 0.00 C ATOM 277 CG1 ILE A 17 3.313 2.136 -16.752 1.00 0.00 C ATOM 278 CG2 ILE A 17 4.306 4.263 -15.909 1.00 0.00 C ATOM 279 CD1 ILE A 17 4.220 2.068 -17.981 1.00 0.00 C ATOM 0 H ILE A 17 0.373 2.847 -16.508 1.00 0.00 H new ATOM 0 HA ILE A 17 2.357 3.547 -14.338 1.00 0.00 H new ATOM 0 HB ILE A 17 2.668 4.116 -17.308 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.792 1.644 -15.905 1.00 0.00 H new ATOM 0 HG13 ILE A 17 2.381 1.604 -16.944 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.075 4.199 -16.679 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.110 5.310 -15.677 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.649 3.751 -15.010 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.428 1.026 -18.223 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.724 2.544 -18.826 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.156 2.585 -17.771 1.00 0.00 H new ATOM 291 N TYR A 18 2.038 6.117 -15.215 1.00 0.00 N ATOM 292 CA TYR A 18 1.439 7.484 -15.230 1.00 0.00 C ATOM 293 C TYR A 18 2.543 8.541 -15.294 1.00 0.00 C ATOM 294 O TYR A 18 2.812 9.233 -14.332 1.00 0.00 O ATOM 295 CB TYR A 18 0.666 7.592 -13.916 1.00 0.00 C ATOM 296 CG TYR A 18 -0.726 8.112 -14.190 1.00 0.00 C ATOM 297 CD1 TYR A 18 -1.441 7.650 -15.302 1.00 0.00 C ATOM 298 CD2 TYR A 18 -1.302 9.056 -13.331 1.00 0.00 C ATOM 299 CE1 TYR A 18 -2.731 8.133 -15.555 1.00 0.00 C ATOM 300 CE2 TYR A 18 -2.591 9.538 -13.584 1.00 0.00 C ATOM 301 CZ TYR A 18 -3.306 9.077 -14.696 1.00 0.00 C ATOM 302 OH TYR A 18 -4.578 9.552 -14.946 1.00 0.00 O ATOM 0 H TYR A 18 3.050 6.088 -15.092 1.00 0.00 H new ATOM 0 HA TYR A 18 0.795 7.645 -16.094 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.612 6.617 -13.432 1.00 0.00 H new ATOM 0 HB3 TYR A 18 1.186 8.260 -13.230 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -0.998 6.921 -15.964 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -0.751 9.412 -12.473 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.282 7.777 -16.413 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.035 10.266 -12.921 1.00 0.00 H new ATOM 0 HH TYR A 18 -4.827 10.200 -14.254 1.00 0.00 H new ATOM 312 N LYS A 19 3.186 8.673 -16.423 1.00 0.00 N ATOM 313 CA LYS A 19 4.273 9.687 -16.548 1.00 0.00 C ATOM 314 C LYS A 19 4.239 10.329 -17.938 1.00 0.00 C ATOM 315 O LYS A 19 3.860 9.709 -18.911 1.00 0.00 O ATOM 316 CB LYS A 19 5.570 8.903 -16.351 1.00 0.00 C ATOM 317 CG LYS A 19 6.756 9.870 -16.345 1.00 0.00 C ATOM 318 CD LYS A 19 6.886 10.509 -14.962 1.00 0.00 C ATOM 319 CE LYS A 19 8.351 10.867 -14.700 1.00 0.00 C ATOM 320 NZ LYS A 19 8.307 11.929 -13.657 1.00 0.00 N ATOM 0 H LYS A 19 3.006 8.123 -17.263 1.00 0.00 H new ATOM 0 HA LYS A 19 4.171 10.494 -15.823 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.534 8.350 -15.413 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.689 8.170 -17.149 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.673 9.339 -16.600 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.614 10.641 -17.102 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.266 11.404 -14.903 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.526 9.821 -14.197 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.914 9.999 -14.356 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.838 11.224 -15.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.276 12.227 -13.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.770 12.745 -14.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.844 11.558 -12.803 1.00 0.00 H new ATOM 334 N LYS A 20 4.637 11.570 -18.037 1.00 0.00 N ATOM 335 CA LYS A 20 4.631 12.253 -19.362 1.00 0.00 C ATOM 336 C LYS A 20 4.914 13.747 -19.186 1.00 0.00 C ATOM 337 O LYS A 20 4.576 14.339 -18.180 1.00 0.00 O ATOM 338 CB LYS A 20 3.222 12.036 -19.919 1.00 0.00 C ATOM 339 CG LYS A 20 3.309 11.267 -21.239 1.00 0.00 C ATOM 340 CD LYS A 20 2.038 11.508 -22.055 1.00 0.00 C ATOM 341 CE LYS A 20 2.312 12.565 -23.129 1.00 0.00 C ATOM 342 NZ LYS A 20 1.310 13.636 -22.878 1.00 0.00 N ATOM 0 H LYS A 20 4.966 12.139 -17.257 1.00 0.00 H new ATOM 0 HA LYS A 20 5.396 11.860 -20.031 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.617 11.481 -19.202 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.730 12.996 -20.076 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.183 11.591 -21.804 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.432 10.202 -21.044 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.710 10.578 -22.520 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.231 11.839 -21.401 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.329 12.950 -23.054 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.202 12.148 -24.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.434 14.398 -23.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.351 13.241 -22.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.443 14.018 -21.920 1.00 0.00 H new ATOM 356 N ALA A 21 5.532 14.361 -20.158 1.00 0.00 N ATOM 357 CA ALA A 21 5.837 15.817 -20.045 1.00 0.00 C ATOM 358 C ALA A 21 6.332 16.359 -21.389 1.00 0.00 C ATOM 359 O ALA A 21 7.092 15.709 -22.079 1.00 0.00 O ATOM 360 CB ALA A 21 6.938 15.910 -18.989 1.00 0.00 C ATOM 0 H ALA A 21 5.839 13.919 -21.024 1.00 0.00 H new ATOM 0 HA ALA A 21 4.960 16.403 -19.771 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.219 16.954 -18.847 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.574 15.501 -18.047 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.808 15.342 -19.319 1.00 0.00 H new ATOM 366 N PRO A 22 5.882 17.540 -21.712 1.00 0.00 N ATOM 367 CA PRO A 22 6.280 18.187 -22.986 1.00 0.00 C ATOM 368 C PRO A 22 7.732 18.669 -22.909 1.00 0.00 C ATOM 369 O PRO A 22 8.010 19.848 -23.001 1.00 0.00 O ATOM 370 CB PRO A 22 5.321 19.367 -23.104 1.00 0.00 C ATOM 371 CG PRO A 22 4.906 19.671 -21.699 1.00 0.00 C ATOM 372 CD PRO A 22 4.968 18.378 -20.928 1.00 0.00 C ATOM 0 HA PRO A 22 6.228 17.515 -23.843 1.00 0.00 H new ATOM 0 HB2 PRO A 22 5.807 20.226 -23.566 1.00 0.00 H new ATOM 0 HB3 PRO A 22 4.460 19.116 -23.724 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.566 20.416 -21.255 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.898 20.085 -21.676 1.00 0.00 H new ATOM 0 HD2 PRO A 22 5.340 18.535 -19.915 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.983 17.919 -20.839 1.00 0.00 H new ATOM 380 N THR A 23 8.659 17.765 -22.740 1.00 0.00 N ATOM 381 CA THR A 23 10.091 18.170 -22.656 1.00 0.00 C ATOM 382 C THR A 23 10.403 19.239 -23.709 1.00 0.00 C ATOM 383 O THR A 23 9.706 19.374 -24.694 1.00 0.00 O ATOM 384 CB THR A 23 10.881 16.892 -22.938 1.00 0.00 C ATOM 385 OG1 THR A 23 12.253 17.110 -22.641 1.00 0.00 O ATOM 386 CG2 THR A 23 10.731 16.510 -24.412 1.00 0.00 C ATOM 0 H THR A 23 8.486 16.763 -22.656 1.00 0.00 H new ATOM 0 HA THR A 23 10.342 18.599 -21.686 1.00 0.00 H new ATOM 0 HB THR A 23 10.498 16.084 -22.315 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.761 16.291 -22.820 1.00 0.00 H new ATOM 0 HG21 THR A 23 11.295 15.599 -24.611 1.00 0.00 H new ATOM 0 HG22 THR A 23 9.678 16.342 -24.639 1.00 0.00 H new ATOM 0 HG23 THR A 23 11.113 17.317 -25.038 1.00 0.00 H new ATOM 394 N ASN A 24 11.447 19.996 -23.508 1.00 0.00 N ATOM 395 CA ASN A 24 11.802 21.053 -24.497 1.00 0.00 C ATOM 396 C ASN A 24 10.708 22.123 -24.544 1.00 0.00 C ATOM 397 O ASN A 24 9.537 21.823 -24.670 1.00 0.00 O ATOM 398 CB ASN A 24 11.898 20.325 -25.838 1.00 0.00 C ATOM 399 CG ASN A 24 13.029 20.932 -26.670 1.00 0.00 C ATOM 400 OD1 ASN A 24 13.768 20.223 -27.323 1.00 0.00 O ATOM 401 ND2 ASN A 24 13.197 22.227 -26.673 1.00 0.00 N ATOM 0 H ASN A 24 12.069 19.928 -22.702 1.00 0.00 H new ATOM 0 HA ASN A 24 12.732 21.561 -24.242 1.00 0.00 H new ATOM 0 HB2 ASN A 24 12.082 19.263 -25.675 1.00 0.00 H new ATOM 0 HB3 ASN A 24 10.953 20.406 -26.376 1.00 0.00 H new ATOM 0 HD21 ASN A 24 13.948 22.643 -27.224 1.00 0.00 H new ATOM 0 HD22 ASN A 24 12.577 22.823 -26.125 1.00 0.00 H new ATOM 408 N GLU A 25 11.079 23.371 -24.444 1.00 0.00 N ATOM 409 CA GLU A 25 10.060 24.458 -24.483 1.00 0.00 C ATOM 410 C GLU A 25 10.735 25.806 -24.747 1.00 0.00 C ATOM 411 O GLU A 25 11.914 25.876 -25.034 1.00 0.00 O ATOM 412 CB GLU A 25 9.413 24.444 -23.098 1.00 0.00 C ATOM 413 CG GLU A 25 7.938 24.836 -23.218 1.00 0.00 C ATOM 414 CD GLU A 25 7.680 26.108 -22.410 1.00 0.00 C ATOM 415 OE1 GLU A 25 8.280 27.121 -22.729 1.00 0.00 O ATOM 416 OE2 GLU A 25 6.887 26.047 -21.485 1.00 0.00 O ATOM 0 H GLU A 25 12.044 23.684 -24.337 1.00 0.00 H new ATOM 0 HA GLU A 25 9.327 24.309 -25.276 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.502 23.453 -22.654 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.932 25.137 -22.436 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.678 24.998 -24.264 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.305 24.027 -22.854 1.00 0.00 H new ATOM 423 N PHE A 26 9.997 26.878 -24.650 1.00 0.00 N ATOM 424 CA PHE A 26 10.597 28.221 -24.896 1.00 0.00 C ATOM 425 C PHE A 26 9.543 29.315 -24.702 1.00 0.00 C ATOM 426 O PHE A 26 8.357 29.070 -24.789 1.00 0.00 O ATOM 427 CB PHE A 26 11.069 28.185 -26.350 1.00 0.00 C ATOM 428 CG PHE A 26 12.243 29.118 -26.521 1.00 0.00 C ATOM 429 CD1 PHE A 26 12.030 30.495 -26.652 1.00 0.00 C ATOM 430 CD2 PHE A 26 13.546 28.606 -26.551 1.00 0.00 C ATOM 431 CE1 PHE A 26 13.117 31.361 -26.812 1.00 0.00 C ATOM 432 CE2 PHE A 26 14.635 29.472 -26.711 1.00 0.00 C ATOM 433 CZ PHE A 26 14.421 30.849 -26.841 1.00 0.00 C ATOM 0 H PHE A 26 9.005 26.882 -24.411 1.00 0.00 H new ATOM 0 HA PHE A 26 11.413 28.440 -24.208 1.00 0.00 H new ATOM 0 HB2 PHE A 26 11.354 27.170 -26.626 1.00 0.00 H new ATOM 0 HB3 PHE A 26 10.257 28.480 -27.015 1.00 0.00 H new ATOM 0 HD1 PHE A 26 11.025 30.890 -26.630 1.00 0.00 H new ATOM 0 HD2 PHE A 26 13.711 27.543 -26.451 1.00 0.00 H new ATOM 0 HE1 PHE A 26 12.951 32.423 -26.913 1.00 0.00 H new ATOM 0 HE2 PHE A 26 15.640 29.077 -26.734 1.00 0.00 H new ATOM 0 HZ PHE A 26 15.261 31.517 -26.964 1.00 0.00 H new ATOM 443 N TYR A 27 9.968 30.520 -24.437 1.00 0.00 N ATOM 444 CA TYR A 27 8.990 31.628 -24.238 1.00 0.00 C ATOM 445 C TYR A 27 9.716 32.977 -24.218 1.00 0.00 C ATOM 446 O TYR A 27 9.265 33.926 -23.607 1.00 0.00 O ATOM 447 CB TYR A 27 8.345 31.347 -22.880 1.00 0.00 C ATOM 448 CG TYR A 27 7.429 32.489 -22.511 1.00 0.00 C ATOM 449 CD1 TYR A 27 6.496 32.966 -23.439 1.00 0.00 C ATOM 450 CD2 TYR A 27 7.514 33.071 -21.240 1.00 0.00 C ATOM 451 CE1 TYR A 27 5.646 34.025 -23.096 1.00 0.00 C ATOM 452 CE2 TYR A 27 6.665 34.131 -20.898 1.00 0.00 C ATOM 453 CZ TYR A 27 5.731 34.608 -21.826 1.00 0.00 C ATOM 454 OH TYR A 27 4.894 35.652 -21.488 1.00 0.00 O ATOM 0 H TYR A 27 10.949 30.785 -24.350 1.00 0.00 H new ATOM 0 HA TYR A 27 8.252 31.676 -25.038 1.00 0.00 H new ATOM 0 HB2 TYR A 27 7.783 30.414 -22.919 1.00 0.00 H new ATOM 0 HB3 TYR A 27 9.115 31.224 -22.118 1.00 0.00 H new ATOM 0 HD1 TYR A 27 6.432 32.518 -24.419 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.234 32.703 -20.524 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.925 34.392 -23.811 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.731 34.581 -19.918 1.00 0.00 H new ATOM 0 HH TYR A 27 5.083 35.939 -20.570 1.00 0.00 H new ATOM 464 N ALA A 28 10.836 33.069 -24.881 1.00 0.00 N ATOM 465 CA ALA A 28 11.588 34.356 -24.899 1.00 0.00 C ATOM 466 C ALA A 28 12.014 34.740 -23.480 1.00 0.00 C ATOM 467 O ALA A 28 12.884 35.586 -23.352 1.00 0.00 O ATOM 468 CB ALA A 28 10.603 35.382 -25.460 1.00 0.00 C ATOM 469 OXT ALA A 28 11.464 34.181 -22.546 1.00 0.00 O ATOM 0 H ALA A 28 11.263 32.309 -25.411 1.00 0.00 H new ATOM 0 HA ALA A 28 12.497 34.295 -25.497 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.083 36.360 -25.505 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.296 35.082 -26.462 1.00 0.00 H new ATOM 0 HB3 ALA A 28 9.727 35.437 -24.813 1.00 0.00 H new TER 475 ALA A 28 ATOM 476 N ARG B 1 5.952 -19.914 8.949 1.00 0.00 N ATOM 477 CA ARG B 1 6.430 -20.959 7.997 1.00 0.00 C ATOM 478 C ARG B 1 5.239 -21.712 7.399 1.00 0.00 C ATOM 479 O ARG B 1 4.517 -22.403 8.091 1.00 0.00 O ATOM 480 CB ARG B 1 7.291 -21.898 8.841 1.00 0.00 C ATOM 481 CG ARG B 1 8.506 -21.138 9.374 1.00 0.00 C ATOM 482 CD ARG B 1 9.147 -21.933 10.515 1.00 0.00 C ATOM 483 NE ARG B 1 10.197 -21.033 11.067 1.00 0.00 N ATOM 484 CZ ARG B 1 11.421 -21.467 11.206 1.00 0.00 C ATOM 485 NH1 ARG B 1 11.647 -22.596 11.820 1.00 0.00 N ATOM 486 NH2 ARG B 1 12.417 -20.770 10.731 1.00 0.00 N ATOM 0 H1 ARG B 1 6.577 -19.084 8.896 1.00 0.00 H new ATOM 0 H2 ARG B 1 4.982 -19.634 8.699 1.00 0.00 H new ATOM 0 H3 ARG B 1 5.964 -20.295 9.917 1.00 0.00 H new ATOM 0 HA ARG B 1 6.988 -20.535 7.162 1.00 0.00 H new ATOM 0 HB2 ARG B 1 6.707 -22.297 9.670 1.00 0.00 H new ATOM 0 HB3 ARG B 1 7.615 -22.748 8.241 1.00 0.00 H new ATOM 0 HG2 ARG B 1 9.230 -20.982 8.574 1.00 0.00 H new ATOM 0 HG3 ARG B 1 8.205 -20.152 9.728 1.00 0.00 H new ATOM 0 HD2 ARG B 1 8.412 -22.195 11.276 1.00 0.00 H new ATOM 0 HD3 ARG B 1 9.577 -22.867 10.153 1.00 0.00 H new ATOM 0 HE ARG B 1 9.960 -20.078 11.336 1.00 0.00 H new ATOM 0 HH11 ARG B 1 10.868 -23.139 12.191 1.00 0.00 H new ATOM 0 HH12 ARG B 1 12.603 -22.935 11.929 1.00 0.00 H new ATOM 0 HH21 ARG B 1 12.239 -19.887 10.252 1.00 0.00 H new ATOM 0 HH22 ARG B 1 13.373 -21.108 10.839 1.00 0.00 H new ATOM 502 N MET B 2 5.028 -21.586 6.117 1.00 0.00 N ATOM 503 CA MET B 2 3.884 -22.295 5.476 1.00 0.00 C ATOM 504 C MET B 2 4.399 -23.384 4.531 1.00 0.00 C ATOM 505 O MET B 2 5.589 -23.582 4.387 1.00 0.00 O ATOM 506 CB MET B 2 3.136 -21.216 4.694 1.00 0.00 C ATOM 507 CG MET B 2 2.731 -20.086 5.642 1.00 0.00 C ATOM 508 SD MET B 2 3.311 -18.504 4.979 1.00 0.00 S ATOM 509 CE MET B 2 1.695 -17.863 4.476 1.00 0.00 C ATOM 0 H MET B 2 5.598 -21.023 5.486 1.00 0.00 H new ATOM 0 HA MET B 2 3.242 -22.787 6.207 1.00 0.00 H new ATOM 0 HB2 MET B 2 3.768 -20.826 3.896 1.00 0.00 H new ATOM 0 HB3 MET B 2 2.252 -21.642 4.221 1.00 0.00 H new ATOM 0 HG2 MET B 2 1.648 -20.067 5.761 1.00 0.00 H new ATOM 0 HG3 MET B 2 3.157 -20.256 6.631 1.00 0.00 H new ATOM 0 HE1 MET B 2 1.818 -16.875 4.032 1.00 0.00 H new ATOM 0 HE2 MET B 2 1.248 -18.537 3.745 1.00 0.00 H new ATOM 0 HE3 MET B 2 1.045 -17.790 5.348 1.00 0.00 H new ATOM 519 N LYS B 3 3.513 -24.092 3.886 1.00 0.00 N ATOM 520 CA LYS B 3 3.953 -25.166 2.950 1.00 0.00 C ATOM 521 C LYS B 3 2.757 -25.700 2.158 1.00 0.00 C ATOM 522 O LYS B 3 2.691 -26.868 1.827 1.00 0.00 O ATOM 523 CB LYS B 3 4.534 -26.258 3.847 1.00 0.00 C ATOM 524 CG LYS B 3 3.445 -26.779 4.788 1.00 0.00 C ATOM 525 CD LYS B 3 4.094 -27.505 5.969 1.00 0.00 C ATOM 526 CE LYS B 3 4.643 -26.479 6.963 1.00 0.00 C ATOM 527 NZ LYS B 3 4.328 -27.039 8.305 1.00 0.00 N ATOM 0 H LYS B 3 2.503 -23.974 3.966 1.00 0.00 H new ATOM 0 HA LYS B 3 4.680 -24.807 2.222 1.00 0.00 H new ATOM 0 HB2 LYS B 3 4.924 -27.074 3.238 1.00 0.00 H new ATOM 0 HB3 LYS B 3 5.370 -25.863 4.424 1.00 0.00 H new ATOM 0 HG2 LYS B 3 2.834 -25.951 5.148 1.00 0.00 H new ATOM 0 HG3 LYS B 3 2.780 -27.456 4.252 1.00 0.00 H new ATOM 0 HD2 LYS B 3 3.363 -28.147 6.460 1.00 0.00 H new ATOM 0 HD3 LYS B 3 4.898 -28.150 5.615 1.00 0.00 H new ATOM 0 HE2 LYS B 3 5.717 -26.340 6.835 1.00 0.00 H new ATOM 0 HE3 LYS B 3 4.177 -25.504 6.822 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 4.674 -26.391 9.041 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 3.299 -27.154 8.400 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 4.791 -27.964 8.413 1.00 0.00 H new ATOM 541 N LYS B 4 1.812 -24.855 1.849 1.00 0.00 N ATOM 542 CA LYS B 4 0.622 -25.315 1.079 1.00 0.00 C ATOM 543 C LYS B 4 0.080 -24.177 0.211 1.00 0.00 C ATOM 544 O LYS B 4 0.684 -23.129 0.102 1.00 0.00 O ATOM 545 CB LYS B 4 -0.406 -25.717 2.138 1.00 0.00 C ATOM 546 CG LYS B 4 0.155 -26.859 2.987 1.00 0.00 C ATOM 547 CD LYS B 4 -0.901 -27.314 3.996 1.00 0.00 C ATOM 548 CE LYS B 4 -0.466 -26.915 5.407 1.00 0.00 C ATOM 549 NZ LYS B 4 -0.329 -28.202 6.145 1.00 0.00 N ATOM 0 H LYS B 4 1.813 -23.866 2.097 1.00 0.00 H new ATOM 0 HA LYS B 4 0.860 -26.140 0.408 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -0.645 -24.862 2.771 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -1.334 -26.028 1.659 1.00 0.00 H new ATOM 0 HG2 LYS B 4 0.445 -27.693 2.348 1.00 0.00 H new ATOM 0 HG3 LYS B 4 1.054 -26.530 3.509 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -1.864 -26.861 3.759 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -1.034 -28.394 3.937 1.00 0.00 H new ATOM 0 HE2 LYS B 4 0.476 -26.367 5.390 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -1.203 -26.266 5.879 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -0.033 -28.011 7.123 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -1.243 -28.698 6.151 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 0.384 -28.796 5.677 1.00 0.00 H new ATOM 563 N LYS B 5 -1.055 -24.380 -0.407 1.00 0.00 N ATOM 564 CA LYS B 5 -1.648 -23.316 -1.273 1.00 0.00 C ATOM 565 C LYS B 5 -0.553 -22.587 -2.058 1.00 0.00 C ATOM 566 O LYS B 5 0.541 -23.089 -2.229 1.00 0.00 O ATOM 567 CB LYS B 5 -2.352 -22.360 -0.308 1.00 0.00 C ATOM 568 CG LYS B 5 -1.311 -21.563 0.482 1.00 0.00 C ATOM 569 CD LYS B 5 -1.995 -20.395 1.195 1.00 0.00 C ATOM 570 CE LYS B 5 -2.506 -20.858 2.561 1.00 0.00 C ATOM 571 NZ LYS B 5 -1.471 -20.404 3.531 1.00 0.00 N ATOM 0 H LYS B 5 -1.599 -25.241 -0.349 1.00 0.00 H new ATOM 0 HA LYS B 5 -2.337 -23.727 -2.011 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -3.000 -21.681 -0.862 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -2.989 -22.922 0.375 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -0.819 -22.209 1.209 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -0.537 -21.190 -0.189 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -1.294 -19.570 1.318 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -2.823 -20.022 0.592 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -3.479 -20.421 2.788 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -2.628 -21.941 2.591 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -1.750 -20.685 4.493 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -0.558 -20.841 3.294 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -1.382 -19.369 3.485 1.00 0.00 H new ATOM 585 N ASP B 6 -0.837 -21.406 -2.535 1.00 0.00 N ATOM 586 CA ASP B 6 0.188 -20.647 -3.306 1.00 0.00 C ATOM 587 C ASP B 6 -0.436 -19.390 -3.920 1.00 0.00 C ATOM 588 O ASP B 6 -1.561 -19.037 -3.627 1.00 0.00 O ATOM 589 CB ASP B 6 0.648 -21.607 -4.404 1.00 0.00 C ATOM 590 CG ASP B 6 2.051 -22.121 -4.076 1.00 0.00 C ATOM 591 OD1 ASP B 6 2.475 -21.949 -2.945 1.00 0.00 O ATOM 592 OD2 ASP B 6 2.677 -22.681 -4.961 1.00 0.00 O ATOM 0 H ASP B 6 -1.734 -20.934 -2.424 1.00 0.00 H new ATOM 0 HA ASP B 6 1.016 -20.317 -2.679 1.00 0.00 H new ATOM 0 HB2 ASP B 6 -0.047 -22.443 -4.486 1.00 0.00 H new ATOM 0 HB3 ASP B 6 0.651 -21.099 -5.368 1.00 0.00 H new ATOM 597 N GLU B 7 0.287 -18.711 -4.768 1.00 0.00 N ATOM 598 CA GLU B 7 -0.266 -17.478 -5.398 1.00 0.00 C ATOM 599 C GLU B 7 -1.605 -17.783 -6.075 1.00 0.00 C ATOM 600 O GLU B 7 -2.157 -18.855 -5.922 1.00 0.00 O ATOM 601 CB GLU B 7 0.777 -17.063 -6.437 1.00 0.00 C ATOM 602 CG GLU B 7 2.162 -17.027 -5.785 1.00 0.00 C ATOM 603 CD GLU B 7 3.079 -16.101 -6.586 1.00 0.00 C ATOM 604 OE1 GLU B 7 2.565 -15.192 -7.217 1.00 0.00 O ATOM 605 OE2 GLU B 7 4.279 -16.316 -6.554 1.00 0.00 O ATOM 0 H GLU B 7 1.236 -18.956 -5.052 1.00 0.00 H new ATOM 0 HA GLU B 7 -0.452 -16.690 -4.668 1.00 0.00 H new ATOM 0 HB2 GLU B 7 0.774 -17.765 -7.271 1.00 0.00 H new ATOM 0 HB3 GLU B 7 0.530 -16.083 -6.845 1.00 0.00 H new ATOM 0 HG2 GLU B 7 2.082 -16.676 -4.756 1.00 0.00 H new ATOM 0 HG3 GLU B 7 2.584 -18.031 -5.748 1.00 0.00 H new ATOM 612 N GLY B 8 -2.130 -16.850 -6.821 1.00 0.00 N ATOM 613 CA GLY B 8 -3.433 -17.089 -7.506 1.00 0.00 C ATOM 614 C GLY B 8 -3.187 -17.796 -8.840 1.00 0.00 C ATOM 615 O GLY B 8 -3.058 -19.003 -8.899 1.00 0.00 O ATOM 0 H GLY B 8 -1.714 -15.933 -6.986 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -4.082 -17.696 -6.875 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -3.947 -16.142 -7.673 1.00 0.00 H new ATOM 619 N SER B 9 -3.118 -17.054 -9.911 1.00 0.00 N ATOM 620 CA SER B 9 -2.879 -17.682 -11.238 1.00 0.00 C ATOM 621 C SER B 9 -2.603 -16.606 -12.291 1.00 0.00 C ATOM 622 O SER B 9 -1.471 -16.229 -12.524 1.00 0.00 O ATOM 623 CB SER B 9 -4.169 -18.434 -11.563 1.00 0.00 C ATOM 624 OG SER B 9 -4.032 -19.793 -11.173 1.00 0.00 O ATOM 0 H SER B 9 -3.217 -16.039 -9.923 1.00 0.00 H new ATOM 0 HA SER B 9 -2.014 -18.346 -11.229 1.00 0.00 H new ATOM 0 HB2 SER B 9 -5.011 -17.977 -11.042 1.00 0.00 H new ATOM 0 HB3 SER B 9 -4.382 -18.370 -12.630 1.00 0.00 H new ATOM 0 HG SER B 9 -3.883 -19.842 -10.206 1.00 0.00 H new ATOM 630 N TYR B 10 -3.628 -16.110 -12.929 1.00 0.00 N ATOM 631 CA TYR B 10 -3.427 -15.060 -13.970 1.00 0.00 C ATOM 632 C TYR B 10 -2.384 -14.040 -13.502 1.00 0.00 C ATOM 633 O TYR B 10 -2.646 -13.210 -12.653 1.00 0.00 O ATOM 634 CB TYR B 10 -4.797 -14.399 -14.140 1.00 0.00 C ATOM 635 CG TYR B 10 -5.165 -13.646 -12.882 1.00 0.00 C ATOM 636 CD1 TYR B 10 -5.658 -14.338 -11.768 1.00 0.00 C ATOM 637 CD2 TYR B 10 -5.017 -12.254 -12.830 1.00 0.00 C ATOM 638 CE1 TYR B 10 -6.000 -13.639 -10.605 1.00 0.00 C ATOM 639 CE2 TYR B 10 -5.360 -11.556 -11.667 1.00 0.00 C ATOM 640 CZ TYR B 10 -5.851 -12.248 -10.554 1.00 0.00 C ATOM 641 OH TYR B 10 -6.188 -11.560 -9.407 1.00 0.00 O ATOM 0 H TYR B 10 -4.598 -16.387 -12.775 1.00 0.00 H new ATOM 0 HA TYR B 10 -3.060 -15.475 -14.909 1.00 0.00 H new ATOM 0 HB2 TYR B 10 -4.778 -13.717 -14.990 1.00 0.00 H new ATOM 0 HB3 TYR B 10 -5.551 -15.156 -14.355 1.00 0.00 H new ATOM 0 HD1 TYR B 10 -5.774 -15.411 -11.807 1.00 0.00 H new ATOM 0 HD2 TYR B 10 -4.638 -11.719 -13.688 1.00 0.00 H new ATOM 0 HE1 TYR B 10 -6.379 -14.173 -9.746 1.00 0.00 H new ATOM 0 HE2 TYR B 10 -5.246 -10.483 -11.628 1.00 0.00 H new ATOM 0 HH TYR B 10 -6.023 -10.603 -9.539 1.00 0.00 H new ATOM 651 N ASP B 11 -1.199 -14.098 -14.045 1.00 0.00 N ATOM 652 CA ASP B 11 -0.140 -13.138 -13.634 1.00 0.00 C ATOM 653 C ASP B 11 -0.406 -11.759 -14.243 1.00 0.00 C ATOM 654 O ASP B 11 -1.537 -11.329 -14.361 1.00 0.00 O ATOM 655 CB ASP B 11 1.161 -13.725 -14.181 1.00 0.00 C ATOM 656 CG ASP B 11 1.188 -13.576 -15.703 1.00 0.00 C ATOM 657 OD1 ASP B 11 0.124 -13.448 -16.285 1.00 0.00 O ATOM 658 OD2 ASP B 11 2.273 -13.591 -16.262 1.00 0.00 O ATOM 0 H ASP B 11 -0.919 -14.772 -14.758 1.00 0.00 H new ATOM 0 HA ASP B 11 -0.104 -13.003 -12.553 1.00 0.00 H new ATOM 0 HB2 ASP B 11 2.017 -13.214 -13.740 1.00 0.00 H new ATOM 0 HB3 ASP B 11 1.242 -14.777 -13.906 1.00 0.00 H new ATOM 663 N LEU B 12 0.627 -11.063 -14.632 1.00 0.00 N ATOM 664 CA LEU B 12 0.435 -9.713 -15.236 1.00 0.00 C ATOM 665 C LEU B 12 -0.440 -8.845 -14.328 1.00 0.00 C ATOM 666 O LEU B 12 -0.974 -9.305 -13.339 1.00 0.00 O ATOM 667 CB LEU B 12 -0.269 -9.973 -16.568 1.00 0.00 C ATOM 668 CG LEU B 12 0.708 -10.632 -17.542 1.00 0.00 C ATOM 669 CD1 LEU B 12 0.072 -10.709 -18.931 1.00 0.00 C ATOM 670 CD2 LEU B 12 1.991 -9.802 -17.617 1.00 0.00 C ATOM 0 H LEU B 12 1.597 -11.371 -14.558 1.00 0.00 H new ATOM 0 HA LEU B 12 1.378 -9.182 -15.368 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -1.135 -10.617 -16.414 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -0.638 -9.036 -16.985 1.00 0.00 H new ATOM 0 HG LEU B 12 0.943 -11.638 -17.193 1.00 0.00 H new ATOM 0 HD11 LEU B 12 0.769 -11.179 -19.625 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -0.843 -11.300 -18.880 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -0.164 -9.704 -19.279 1.00 0.00 H new ATOM 0 HD21 LEU B 12 2.688 -10.271 -18.311 1.00 0.00 H new ATOM 0 HD22 LEU B 12 1.754 -8.797 -17.965 1.00 0.00 H new ATOM 0 HD23 LEU B 12 2.446 -9.746 -16.628 1.00 0.00 H new ATOM 682 N GLY B 13 -0.590 -7.591 -14.658 1.00 0.00 N ATOM 683 CA GLY B 13 -1.429 -6.694 -13.815 1.00 0.00 C ATOM 684 C GLY B 13 -2.623 -6.197 -14.631 1.00 0.00 C ATOM 685 O GLY B 13 -3.761 -6.499 -14.331 1.00 0.00 O ATOM 0 H GLY B 13 -0.168 -7.150 -15.475 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -1.776 -7.228 -12.931 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -0.837 -5.848 -13.464 1.00 0.00 H new ATOM 689 N LYS B 14 -2.374 -5.438 -15.664 1.00 0.00 N ATOM 690 CA LYS B 14 -3.497 -4.925 -16.499 1.00 0.00 C ATOM 691 C LYS B 14 -2.955 -4.273 -17.775 1.00 0.00 C ATOM 692 O LYS B 14 -2.697 -4.936 -18.760 1.00 0.00 O ATOM 693 CB LYS B 14 -4.210 -3.896 -15.620 1.00 0.00 C ATOM 694 CG LYS B 14 -5.369 -4.568 -14.882 1.00 0.00 C ATOM 695 CD LYS B 14 -5.111 -4.526 -13.375 1.00 0.00 C ATOM 696 CE LYS B 14 -5.951 -5.601 -12.682 1.00 0.00 C ATOM 697 NZ LYS B 14 -4.969 -6.421 -11.919 1.00 0.00 N ATOM 0 H LYS B 14 -1.443 -5.152 -15.965 1.00 0.00 H new ATOM 0 HA LYS B 14 -4.172 -5.719 -16.817 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -3.509 -3.467 -14.904 1.00 0.00 H new ATOM 0 HB3 LYS B 14 -4.583 -3.075 -16.233 1.00 0.00 H new ATOM 0 HG2 LYS B 14 -6.305 -4.060 -15.115 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -5.475 -5.601 -15.214 1.00 0.00 H new ATOM 0 HD2 LYS B 14 -4.053 -4.690 -13.172 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -5.363 -3.542 -12.980 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -6.694 -5.156 -12.020 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -6.493 -6.207 -13.407 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -5.450 -7.249 -11.512 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -4.212 -6.739 -12.557 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 -4.559 -5.848 -11.154 1.00 0.00 H new ATOM 711 N LYS B 15 -2.780 -2.982 -17.767 1.00 0.00 N ATOM 712 CA LYS B 15 -2.255 -2.291 -18.981 1.00 0.00 C ATOM 713 C LYS B 15 -1.385 -1.098 -18.573 1.00 0.00 C ATOM 714 O LYS B 15 -1.767 -0.311 -17.731 1.00 0.00 O ATOM 715 CB LYS B 15 -3.498 -1.816 -19.734 1.00 0.00 C ATOM 716 CG LYS B 15 -4.173 -3.011 -20.410 1.00 0.00 C ATOM 717 CD LYS B 15 -5.101 -2.511 -21.520 1.00 0.00 C ATOM 718 CE LYS B 15 -6.078 -3.624 -21.907 1.00 0.00 C ATOM 719 NZ LYS B 15 -7.031 -3.713 -20.765 1.00 0.00 N ATOM 0 H LYS B 15 -2.977 -2.373 -16.973 1.00 0.00 H new ATOM 0 HA LYS B 15 -1.633 -2.944 -19.593 1.00 0.00 H new ATOM 0 HB2 LYS B 15 -4.192 -1.335 -19.045 1.00 0.00 H new ATOM 0 HB3 LYS B 15 -3.222 -1.071 -20.480 1.00 0.00 H new ATOM 0 HG2 LYS B 15 -3.420 -3.681 -20.825 1.00 0.00 H new ATOM 0 HG3 LYS B 15 -4.741 -3.584 -19.677 1.00 0.00 H new ATOM 0 HD2 LYS B 15 -5.650 -1.632 -21.182 1.00 0.00 H new ATOM 0 HD3 LYS B 15 -4.516 -2.207 -22.388 1.00 0.00 H new ATOM 0 HE2 LYS B 15 -6.596 -3.389 -22.837 1.00 0.00 H new ATOM 0 HE3 LYS B 15 -5.558 -4.569 -22.062 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 -6.966 -4.656 -20.331 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 -6.793 -2.989 -20.057 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 -8.000 -3.556 -21.109 1.00 0.00 H new ATOM 733 N PRO B 16 -0.236 -1.008 -19.189 1.00 0.00 N ATOM 734 CA PRO B 16 0.706 0.098 -18.889 1.00 0.00 C ATOM 735 C PRO B 16 0.186 1.419 -19.460 1.00 0.00 C ATOM 736 O PRO B 16 -0.563 1.442 -20.417 1.00 0.00 O ATOM 737 CB PRO B 16 1.994 -0.330 -19.586 1.00 0.00 C ATOM 738 CG PRO B 16 1.554 -1.248 -20.681 1.00 0.00 C ATOM 739 CD PRO B 16 0.288 -1.917 -20.215 1.00 0.00 C ATOM 0 HA PRO B 16 0.841 0.266 -17.821 1.00 0.00 H new ATOM 0 HB2 PRO B 16 2.532 0.530 -19.984 1.00 0.00 H new ATOM 0 HB3 PRO B 16 2.668 -0.835 -18.894 1.00 0.00 H new ATOM 0 HG2 PRO B 16 1.380 -0.693 -21.603 1.00 0.00 H new ATOM 0 HG3 PRO B 16 2.324 -1.988 -20.896 1.00 0.00 H new ATOM 0 HD2 PRO B 16 -0.420 -2.046 -21.034 1.00 0.00 H new ATOM 0 HD3 PRO B 16 0.487 -2.908 -19.807 1.00 0.00 H new ATOM 747 N ILE B 17 0.579 2.519 -18.880 1.00 0.00 N ATOM 748 CA ILE B 17 0.111 3.841 -19.384 1.00 0.00 C ATOM 749 C ILE B 17 1.300 4.797 -19.514 1.00 0.00 C ATOM 750 O ILE B 17 2.439 4.407 -19.356 1.00 0.00 O ATOM 751 CB ILE B 17 -0.875 4.350 -18.332 1.00 0.00 C ATOM 752 CG1 ILE B 17 -1.751 3.198 -17.827 1.00 0.00 C ATOM 753 CG2 ILE B 17 -1.772 5.426 -18.947 1.00 0.00 C ATOM 754 CD1 ILE B 17 -2.568 3.671 -16.624 1.00 0.00 C ATOM 0 H ILE B 17 1.206 2.560 -18.076 1.00 0.00 H new ATOM 0 HA ILE B 17 -0.354 3.768 -20.367 1.00 0.00 H new ATOM 0 HB ILE B 17 -0.312 4.768 -17.497 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -2.416 2.857 -18.621 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -1.128 2.349 -17.546 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -2.474 5.787 -18.196 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -1.157 6.255 -19.298 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -2.324 5.003 -19.786 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -3.192 2.853 -16.263 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -1.894 3.991 -15.829 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -3.202 4.507 -16.920 1.00 0.00 H new ATOM 766 N TYR B 18 1.048 6.045 -19.800 1.00 0.00 N ATOM 767 CA TYR B 18 2.170 7.020 -19.935 1.00 0.00 C ATOM 768 C TYR B 18 1.620 8.446 -20.028 1.00 0.00 C ATOM 769 O TYR B 18 1.644 9.064 -21.074 1.00 0.00 O ATOM 770 CB TYR B 18 2.881 6.630 -21.230 1.00 0.00 C ATOM 771 CG TYR B 18 4.369 6.541 -20.984 1.00 0.00 C ATOM 772 CD1 TYR B 18 4.850 5.958 -19.804 1.00 0.00 C ATOM 773 CD2 TYR B 18 5.266 7.040 -21.934 1.00 0.00 C ATOM 774 CE1 TYR B 18 6.229 5.875 -19.577 1.00 0.00 C ATOM 775 CE2 TYR B 18 6.645 6.958 -21.707 1.00 0.00 C ATOM 776 CZ TYR B 18 7.127 6.375 -20.528 1.00 0.00 C ATOM 777 OH TYR B 18 8.486 6.294 -20.304 1.00 0.00 O ATOM 0 H TYR B 18 0.116 6.432 -19.946 1.00 0.00 H new ATOM 0 HA TYR B 18 2.845 6.996 -19.080 1.00 0.00 H new ATOM 0 HB2 TYR B 18 2.504 5.673 -21.590 1.00 0.00 H new ATOM 0 HB3 TYR B 18 2.674 7.366 -22.006 1.00 0.00 H new ATOM 0 HD1 TYR B 18 4.157 5.573 -19.070 1.00 0.00 H new ATOM 0 HD2 TYR B 18 4.895 7.489 -22.843 1.00 0.00 H new ATOM 0 HE1 TYR B 18 6.600 5.425 -18.668 1.00 0.00 H new ATOM 0 HE2 TYR B 18 7.337 7.344 -22.441 1.00 0.00 H new ATOM 0 HH TYR B 18 8.967 6.686 -21.063 1.00 0.00 H new ATOM 787 N LYS B 19 1.125 8.973 -18.941 1.00 0.00 N ATOM 788 CA LYS B 19 0.574 10.358 -18.969 1.00 0.00 C ATOM 789 C LYS B 19 0.914 11.089 -17.668 1.00 0.00 C ATOM 790 O LYS B 19 1.021 10.489 -16.616 1.00 0.00 O ATOM 791 CB LYS B 19 -0.939 10.180 -19.106 1.00 0.00 C ATOM 792 CG LYS B 19 -1.602 11.550 -19.261 1.00 0.00 C ATOM 793 CD LYS B 19 -1.487 12.012 -20.714 1.00 0.00 C ATOM 794 CE LYS B 19 -2.669 12.922 -21.056 1.00 0.00 C ATOM 795 NZ LYS B 19 -2.207 13.731 -22.219 1.00 0.00 N ATOM 0 H LYS B 19 1.078 8.505 -18.036 1.00 0.00 H new ATOM 0 HA LYS B 19 0.989 10.951 -19.783 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -1.166 9.555 -19.970 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -1.337 9.669 -18.229 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -2.650 11.493 -18.968 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -1.125 12.273 -18.600 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -0.548 12.546 -20.864 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -1.473 11.150 -21.381 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -3.556 12.340 -21.307 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -2.934 13.559 -20.212 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -2.964 14.381 -22.513 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -1.366 14.279 -21.948 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -1.968 13.098 -23.009 1.00 0.00 H new ATOM 809 N LYS B 20 1.082 12.383 -17.730 1.00 0.00 N ATOM 810 CA LYS B 20 1.413 13.154 -16.498 1.00 0.00 C ATOM 811 C LYS B 20 1.785 14.594 -16.861 1.00 0.00 C ATOM 812 O LYS B 20 2.314 14.861 -17.922 1.00 0.00 O ATOM 813 CB LYS B 20 2.611 12.430 -15.881 1.00 0.00 C ATOM 814 CG LYS B 20 2.243 11.937 -14.481 1.00 0.00 C ATOM 815 CD LYS B 20 3.518 11.714 -13.665 1.00 0.00 C ATOM 816 CE LYS B 20 3.746 12.907 -12.736 1.00 0.00 C ATOM 817 NZ LYS B 20 5.101 13.415 -13.087 1.00 0.00 N ATOM 0 H LYS B 20 1.004 12.939 -18.581 1.00 0.00 H new ATOM 0 HA LYS B 20 0.572 13.206 -15.807 1.00 0.00 H new ATOM 0 HB2 LYS B 20 2.904 11.589 -16.509 1.00 0.00 H new ATOM 0 HB3 LYS B 20 3.468 13.102 -15.828 1.00 0.00 H new ATOM 0 HG2 LYS B 20 1.604 12.666 -13.984 1.00 0.00 H new ATOM 0 HG3 LYS B 20 1.675 11.009 -14.549 1.00 0.00 H new ATOM 0 HD2 LYS B 20 3.433 10.797 -13.082 1.00 0.00 H new ATOM 0 HD3 LYS B 20 4.372 11.590 -14.331 1.00 0.00 H new ATOM 0 HE2 LYS B 20 2.986 13.674 -12.885 1.00 0.00 H new ATOM 0 HE3 LYS B 20 3.696 12.607 -11.689 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 5.329 14.236 -12.490 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 5.804 12.666 -12.929 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 5.117 13.699 -14.087 1.00 0.00 H new ATOM 831 N ALA B 21 1.512 15.526 -15.988 1.00 0.00 N ATOM 832 CA ALA B 21 1.850 16.947 -16.285 1.00 0.00 C ATOM 833 C ALA B 21 1.667 17.806 -15.031 1.00 0.00 C ATOM 834 O ALA B 21 0.723 17.628 -14.287 1.00 0.00 O ATOM 835 CB ALA B 21 0.863 17.370 -17.373 1.00 0.00 C ATOM 0 H ALA B 21 1.070 15.365 -15.083 1.00 0.00 H new ATOM 0 HA ALA B 21 2.885 17.068 -16.605 1.00 0.00 H new ATOM 0 HB1 ALA B 21 1.047 18.409 -17.648 1.00 0.00 H new ATOM 0 HB2 ALA B 21 0.993 16.734 -18.249 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -0.156 17.269 -16.999 1.00 0.00 H new ATOM 841 N PRO B 22 2.584 18.715 -14.841 1.00 0.00 N ATOM 842 CA PRO B 22 2.532 19.619 -13.665 1.00 0.00 C ATOM 843 C PRO B 22 1.420 20.658 -13.839 1.00 0.00 C ATOM 844 O PRO B 22 1.671 21.845 -13.899 1.00 0.00 O ATOM 845 CB PRO B 22 3.904 20.285 -13.666 1.00 0.00 C ATOM 846 CG PRO B 22 4.371 20.213 -15.085 1.00 0.00 C ATOM 847 CD PRO B 22 3.746 18.984 -15.695 1.00 0.00 C ATOM 0 HA PRO B 22 2.317 19.098 -12.732 1.00 0.00 H new ATOM 0 HB2 PRO B 22 3.841 21.318 -13.324 1.00 0.00 H new ATOM 0 HB3 PRO B 22 4.593 19.769 -12.997 1.00 0.00 H new ATOM 0 HG2 PRO B 22 4.076 21.108 -15.633 1.00 0.00 H new ATOM 0 HG3 PRO B 22 5.459 20.155 -15.130 1.00 0.00 H new ATOM 0 HD2 PRO B 22 3.449 19.159 -16.729 1.00 0.00 H new ATOM 0 HD3 PRO B 22 4.440 18.144 -15.700 1.00 0.00 H new ATOM 855 N THR B 23 0.194 20.219 -13.922 1.00 0.00 N ATOM 856 CA THR B 23 -0.934 21.179 -14.094 1.00 0.00 C ATOM 857 C THR B 23 -0.736 22.397 -13.187 1.00 0.00 C ATOM 858 O THR B 23 -0.020 22.343 -12.206 1.00 0.00 O ATOM 859 CB THR B 23 -2.183 20.400 -13.680 1.00 0.00 C ATOM 860 OG1 THR B 23 -3.341 21.141 -14.039 1.00 0.00 O ATOM 861 CG2 THR B 23 -2.169 20.172 -12.168 1.00 0.00 C ATOM 0 H THR B 23 -0.076 19.236 -13.878 1.00 0.00 H new ATOM 0 HA THR B 23 -1.006 21.553 -15.115 1.00 0.00 H new ATOM 0 HB THR B 23 -2.195 19.436 -14.189 1.00 0.00 H new ATOM 0 HG1 THR B 23 -4.143 20.643 -13.776 1.00 0.00 H new ATOM 0 HG21 THR B 23 -3.060 19.617 -11.876 1.00 0.00 H new ATOM 0 HG22 THR B 23 -1.281 19.603 -11.894 1.00 0.00 H new ATOM 0 HG23 THR B 23 -2.156 21.134 -11.655 1.00 0.00 H new ATOM 869 N ASN B 24 -1.365 23.495 -13.507 1.00 0.00 N ATOM 870 CA ASN B 24 -1.212 24.715 -12.663 1.00 0.00 C ATOM 871 C ASN B 24 0.234 25.217 -12.716 1.00 0.00 C ATOM 872 O ASN B 24 1.169 24.466 -12.522 1.00 0.00 O ATOM 873 CB ASN B 24 -1.571 24.264 -11.246 1.00 0.00 C ATOM 874 CG ASN B 24 -2.315 25.389 -10.525 1.00 0.00 C ATOM 875 OD1 ASN B 24 -3.267 25.144 -9.811 1.00 0.00 O ATOM 876 ND2 ASN B 24 -1.918 26.623 -10.683 1.00 0.00 N ATOM 0 H ASN B 24 -1.978 23.600 -14.316 1.00 0.00 H new ATOM 0 HA ASN B 24 -1.845 25.534 -13.003 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -2.192 23.369 -11.284 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -0.667 24.001 -10.697 1.00 0.00 H new ATOM 0 HD21 ASN B 24 -2.407 27.381 -10.207 1.00 0.00 H new ATOM 0 HD22 ASN B 24 -1.119 26.829 -11.282 1.00 0.00 H new ATOM 883 N GLU B 25 0.423 26.481 -12.976 1.00 0.00 N ATOM 884 CA GLU B 25 1.808 27.031 -13.042 1.00 0.00 C ATOM 885 C GLU B 25 1.776 28.559 -12.962 1.00 0.00 C ATOM 886 O GLU B 25 0.746 29.156 -12.717 1.00 0.00 O ATOM 887 CB GLU B 25 2.351 26.576 -14.397 1.00 0.00 C ATOM 888 CG GLU B 25 3.854 26.318 -14.284 1.00 0.00 C ATOM 889 CD GLU B 25 4.605 27.252 -15.235 1.00 0.00 C ATOM 890 OE1 GLU B 25 4.501 28.455 -15.057 1.00 0.00 O ATOM 891 OE2 GLU B 25 5.273 26.750 -16.123 1.00 0.00 O ATOM 0 H GLU B 25 -0.321 27.158 -13.146 1.00 0.00 H new ATOM 0 HA GLU B 25 2.429 26.684 -12.216 1.00 0.00 H new ATOM 0 HB2 GLU B 25 1.839 25.670 -14.720 1.00 0.00 H new ATOM 0 HB3 GLU B 25 2.158 27.338 -15.152 1.00 0.00 H new ATOM 0 HG2 GLU B 25 4.186 26.482 -13.259 1.00 0.00 H new ATOM 0 HG3 GLU B 25 4.075 25.279 -14.528 1.00 0.00 H new ATOM 898 N PHE B 26 2.896 29.197 -13.166 1.00 0.00 N ATOM 899 CA PHE B 26 2.927 30.687 -13.102 1.00 0.00 C ATOM 900 C PHE B 26 4.340 31.198 -13.399 1.00 0.00 C ATOM 901 O PHE B 26 5.312 30.486 -13.251 1.00 0.00 O ATOM 902 CB PHE B 26 2.524 31.030 -11.667 1.00 0.00 C ATOM 903 CG PHE B 26 1.861 32.386 -11.642 1.00 0.00 C ATOM 904 CD1 PHE B 26 2.642 33.547 -11.673 1.00 0.00 C ATOM 905 CD2 PHE B 26 0.466 32.483 -11.585 1.00 0.00 C ATOM 906 CE1 PHE B 26 2.027 34.805 -11.649 1.00 0.00 C ATOM 907 CE2 PHE B 26 -0.149 33.740 -11.562 1.00 0.00 C ATOM 908 CZ PHE B 26 0.631 34.901 -11.594 1.00 0.00 C ATOM 0 H PHE B 26 3.790 28.752 -13.374 1.00 0.00 H new ATOM 0 HA PHE B 26 2.262 31.147 -13.833 1.00 0.00 H new ATOM 0 HB2 PHE B 26 1.843 30.273 -11.278 1.00 0.00 H new ATOM 0 HB3 PHE B 26 3.402 31.031 -11.021 1.00 0.00 H new ATOM 0 HD1 PHE B 26 3.719 33.473 -11.715 1.00 0.00 H new ATOM 0 HD2 PHE B 26 -0.136 31.587 -11.559 1.00 0.00 H new ATOM 0 HE1 PHE B 26 2.629 35.701 -11.673 1.00 0.00 H new ATOM 0 HE2 PHE B 26 -1.226 33.814 -11.520 1.00 0.00 H new ATOM 0 HZ PHE B 26 0.157 35.871 -11.576 1.00 0.00 H new ATOM 918 N TYR B 27 4.458 32.428 -13.819 1.00 0.00 N ATOM 919 CA TYR B 27 5.809 32.985 -14.125 1.00 0.00 C ATOM 920 C TYR B 27 5.722 34.499 -14.327 1.00 0.00 C ATOM 921 O TYR B 27 6.516 35.087 -15.036 1.00 0.00 O ATOM 922 CB TYR B 27 6.236 32.294 -15.420 1.00 0.00 C ATOM 923 CG TYR B 27 7.539 32.886 -15.899 1.00 0.00 C ATOM 924 CD1 TYR B 27 8.612 33.031 -15.011 1.00 0.00 C ATOM 925 CD2 TYR B 27 7.676 33.290 -17.233 1.00 0.00 C ATOM 926 CE1 TYR B 27 9.820 33.581 -15.457 1.00 0.00 C ATOM 927 CE2 TYR B 27 8.884 33.840 -17.679 1.00 0.00 C ATOM 928 CZ TYR B 27 9.956 33.985 -16.791 1.00 0.00 C ATOM 929 OH TYR B 27 11.147 34.528 -17.229 1.00 0.00 O ATOM 0 H TYR B 27 3.680 33.071 -13.964 1.00 0.00 H new ATOM 0 HA TYR B 27 6.521 32.813 -13.317 1.00 0.00 H new ATOM 0 HB2 TYR B 27 6.350 31.223 -15.253 1.00 0.00 H new ATOM 0 HB3 TYR B 27 5.466 32.417 -16.182 1.00 0.00 H new ATOM 0 HD1 TYR B 27 8.508 32.719 -13.982 1.00 0.00 H new ATOM 0 HD2 TYR B 27 6.849 33.177 -17.918 1.00 0.00 H new ATOM 0 HE1 TYR B 27 10.647 33.694 -14.772 1.00 0.00 H new ATOM 0 HE2 TYR B 27 8.988 34.152 -18.708 1.00 0.00 H new ATOM 0 HH TYR B 27 11.074 34.754 -18.180 1.00 0.00 H new ATOM 939 N ALA B 28 4.766 35.137 -13.710 1.00 0.00 N ATOM 940 CA ALA B 28 4.630 36.614 -13.868 1.00 0.00 C ATOM 941 C ALA B 28 4.368 36.967 -15.335 1.00 0.00 C ATOM 942 O ALA B 28 3.936 38.079 -15.588 1.00 0.00 O ATOM 943 CB ALA B 28 5.972 37.186 -13.410 1.00 0.00 C ATOM 944 OXT ALA B 28 4.605 36.119 -16.180 1.00 0.00 O ATOM 0 H ALA B 28 4.073 34.700 -13.103 1.00 0.00 H new ATOM 0 HA ALA B 28 3.797 37.017 -13.291 1.00 0.00 H new ATOM 0 HB1 ALA B 28 5.953 38.272 -13.496 1.00 0.00 H new ATOM 0 HB2 ALA B 28 6.151 36.907 -12.371 1.00 0.00 H new ATOM 0 HB3 ALA B 28 6.770 36.786 -14.035 1.00 0.00 H new TER 950 ALA B 28