USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 482 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ARG N :NH3+ -153:sc= -0.0206 (180deg=-0.288) 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= -0.0435 USER MOD Single : A 10 TYR OH : rot 30:sc= -1.46! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.162 USER MOD Single : A 24 ASN : amide:sc= 0.209 X(o=0.21,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 ARG N :NH3+ -161:sc= -0.0177 (180deg=-0.298) 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= -0.0646 USER MOD Single : B 10 TYR OH : rot 37:sc= -1.43! USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 THR OG1 : rot 180:sc= 0.168 USER MOD Single : B 24 ASN : amide:sc= 0.195 X(o=0.19,f=0) USER MOD Single : B 27 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -21.276 -8.164 -34.485 1.00 0.00 N ATOM 2 CA ARG A 1 -19.794 -8.006 -34.553 1.00 0.00 C ATOM 3 C ARG A 1 -19.126 -8.787 -33.418 1.00 0.00 C ATOM 4 O ARG A 1 -18.050 -9.329 -33.574 1.00 0.00 O ATOM 5 CB ARG A 1 -19.548 -6.506 -34.389 1.00 0.00 C ATOM 6 CG ARG A 1 -19.899 -5.785 -35.692 1.00 0.00 C ATOM 7 CD ARG A 1 -18.613 -5.368 -36.408 1.00 0.00 C ATOM 8 NE ARG A 1 -18.764 -3.907 -36.650 1.00 0.00 N ATOM 9 CZ ARG A 1 -19.522 -3.481 -37.624 1.00 0.00 C ATOM 10 NH1 ARG A 1 -19.534 -4.113 -38.765 1.00 0.00 N ATOM 11 NH2 ARG A 1 -20.267 -2.423 -37.456 1.00 0.00 N ATOM 0 H1 ARG A 1 -21.681 -8.051 -35.436 1.00 0.00 H new ATOM 0 H2 ARG A 1 -21.508 -9.110 -34.120 1.00 0.00 H new ATOM 0 H3 ARG A 1 -21.673 -7.442 -33.851 1.00 0.00 H new ATOM 0 HA ARG A 1 -19.380 -8.387 -35.487 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -20.153 -6.115 -33.571 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -18.505 -6.324 -34.130 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -20.489 -6.439 -36.334 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -20.511 -4.908 -35.481 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -17.735 -5.578 -35.797 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -18.488 -5.912 -37.344 1.00 0.00 H new ATOM 0 HE ARG A 1 -18.275 -3.238 -36.055 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -18.951 -4.940 -38.896 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -20.126 -3.780 -39.526 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -20.257 -1.929 -36.564 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -20.859 -2.090 -38.217 1.00 0.00 H new ATOM 27 N MET A 2 -19.756 -8.849 -32.277 1.00 0.00 N ATOM 28 CA MET A 2 -19.157 -9.595 -31.134 1.00 0.00 C ATOM 29 C MET A 2 -19.609 -11.057 -31.162 1.00 0.00 C ATOM 30 O MET A 2 -20.729 -11.364 -31.514 1.00 0.00 O ATOM 31 CB MET A 2 -19.686 -8.894 -29.883 1.00 0.00 C ATOM 32 CG MET A 2 -18.535 -8.660 -28.903 1.00 0.00 C ATOM 33 SD MET A 2 -19.047 -9.158 -27.240 1.00 0.00 S ATOM 34 CE MET A 2 -19.222 -7.495 -26.548 1.00 0.00 C ATOM 0 H MET A 2 -20.659 -8.415 -32.087 1.00 0.00 H new ATOM 0 HA MET A 2 -18.068 -9.599 -31.169 1.00 0.00 H new ATOM 0 HB2 MET A 2 -20.146 -7.944 -30.153 1.00 0.00 H new ATOM 0 HB3 MET A 2 -20.460 -9.501 -29.413 1.00 0.00 H new ATOM 0 HG2 MET A 2 -17.659 -9.231 -29.211 1.00 0.00 H new ATOM 0 HG3 MET A 2 -18.248 -7.608 -28.907 1.00 0.00 H new ATOM 0 HE1 MET A 2 -19.538 -7.565 -25.507 1.00 0.00 H new ATOM 0 HE2 MET A 2 -18.265 -6.976 -26.603 1.00 0.00 H new ATOM 0 HE3 MET A 2 -19.969 -6.941 -27.117 1.00 0.00 H new ATOM 44 N LYS A 3 -18.744 -11.962 -30.793 1.00 0.00 N ATOM 45 CA LYS A 3 -19.124 -13.404 -30.798 1.00 0.00 C ATOM 46 C LYS A 3 -18.809 -14.041 -29.443 1.00 0.00 C ATOM 47 O LYS A 3 -18.396 -13.374 -28.514 1.00 0.00 O ATOM 48 CB LYS A 3 -18.271 -14.035 -31.900 1.00 0.00 C ATOM 49 CG LYS A 3 -19.181 -14.600 -32.992 1.00 0.00 C ATOM 50 CD LYS A 3 -19.810 -15.907 -32.506 1.00 0.00 C ATOM 51 CE LYS A 3 -20.514 -16.601 -33.675 1.00 0.00 C ATOM 52 NZ LYS A 3 -21.900 -16.854 -33.195 1.00 0.00 N ATOM 0 H LYS A 3 -17.791 -11.766 -30.488 1.00 0.00 H new ATOM 0 HA LYS A 3 -20.190 -13.549 -30.974 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -17.597 -13.291 -32.323 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.650 -14.828 -31.484 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -19.960 -13.879 -33.240 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -18.608 -14.776 -33.903 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -19.042 -16.560 -32.091 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -20.523 -15.705 -31.707 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -20.513 -15.972 -34.565 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -20.013 -17.531 -33.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -22.445 -17.328 -33.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -21.870 -17.461 -32.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -22.355 -15.950 -32.956 1.00 0.00 H new ATOM 66 N LYS A 4 -18.997 -15.326 -29.321 1.00 0.00 N ATOM 67 CA LYS A 4 -18.707 -16.004 -28.026 1.00 0.00 C ATOM 68 C LYS A 4 -17.521 -16.960 -28.182 1.00 0.00 C ATOM 69 O LYS A 4 -17.391 -17.644 -29.177 1.00 0.00 O ATOM 70 CB LYS A 4 -19.980 -16.780 -27.691 1.00 0.00 C ATOM 71 CG LYS A 4 -19.927 -17.246 -26.234 1.00 0.00 C ATOM 72 CD LYS A 4 -20.889 -18.420 -26.038 1.00 0.00 C ATOM 73 CE LYS A 4 -20.749 -18.963 -24.613 1.00 0.00 C ATOM 74 NZ LYS A 4 -22.119 -19.407 -24.235 1.00 0.00 N ATOM 0 H LYS A 4 -19.339 -15.937 -30.063 1.00 0.00 H new ATOM 0 HA LYS A 4 -18.442 -15.296 -27.240 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -20.855 -16.150 -27.851 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -20.080 -17.639 -28.355 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -18.912 -17.546 -25.974 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -20.197 -16.426 -25.569 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -21.915 -18.097 -26.216 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -20.672 -19.206 -26.761 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -20.041 -19.791 -24.574 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -20.381 -18.195 -23.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -22.105 -19.792 -23.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -22.770 -18.597 -24.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -22.440 -20.142 -24.896 1.00 0.00 H new ATOM 88 N LYS A 5 -16.656 -17.011 -27.207 1.00 0.00 N ATOM 89 CA LYS A 5 -15.479 -17.922 -27.301 1.00 0.00 C ATOM 90 C LYS A 5 -15.189 -18.554 -25.936 1.00 0.00 C ATOM 91 O LYS A 5 -15.671 -18.102 -24.917 1.00 0.00 O ATOM 92 CB LYS A 5 -14.318 -17.027 -27.734 1.00 0.00 C ATOM 93 CG LYS A 5 -13.677 -17.598 -29.000 1.00 0.00 C ATOM 94 CD LYS A 5 -14.382 -17.027 -30.233 1.00 0.00 C ATOM 95 CE LYS A 5 -14.170 -17.964 -31.424 1.00 0.00 C ATOM 96 NZ LYS A 5 -13.851 -17.065 -32.567 1.00 0.00 N ATOM 0 H LYS A 5 -16.713 -16.462 -26.349 1.00 0.00 H new ATOM 0 HA LYS A 5 -15.646 -18.740 -28.001 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -14.676 -16.014 -27.920 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.578 -16.962 -26.936 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -12.616 -17.349 -29.027 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.749 -18.686 -28.998 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -15.447 -16.910 -30.034 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -13.990 -16.036 -30.462 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -13.358 -18.666 -31.235 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -15.063 -18.556 -31.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -13.692 -17.634 -33.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -14.645 -16.413 -32.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -12.993 -16.519 -32.350 1.00 0.00 H new ATOM 110 N ASP A 6 -14.404 -19.596 -25.910 1.00 0.00 N ATOM 111 CA ASP A 6 -14.084 -20.256 -24.611 1.00 0.00 C ATOM 112 C ASP A 6 -12.614 -20.028 -24.250 1.00 0.00 C ATOM 113 O ASP A 6 -11.863 -20.960 -24.045 1.00 0.00 O ATOM 114 CB ASP A 6 -14.354 -21.743 -24.845 1.00 0.00 C ATOM 115 CG ASP A 6 -15.383 -22.240 -23.828 1.00 0.00 C ATOM 116 OD1 ASP A 6 -16.556 -21.964 -24.019 1.00 0.00 O ATOM 117 OD2 ASP A 6 -14.981 -22.891 -22.878 1.00 0.00 O ATOM 0 H ASP A 6 -13.970 -20.019 -26.731 1.00 0.00 H new ATOM 0 HA ASP A 6 -14.678 -19.858 -23.788 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -14.722 -21.902 -25.858 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -13.429 -22.311 -24.750 1.00 0.00 H new ATOM 122 N GLU A 7 -12.197 -18.793 -24.170 1.00 0.00 N ATOM 123 CA GLU A 7 -10.776 -18.507 -23.823 1.00 0.00 C ATOM 124 C GLU A 7 -10.640 -17.079 -23.285 1.00 0.00 C ATOM 125 O GLU A 7 -10.879 -16.116 -23.988 1.00 0.00 O ATOM 126 CB GLU A 7 -10.008 -18.662 -25.136 1.00 0.00 C ATOM 127 CG GLU A 7 -8.520 -18.852 -24.838 1.00 0.00 C ATOM 128 CD GLU A 7 -8.332 -20.062 -23.922 1.00 0.00 C ATOM 129 OE1 GLU A 7 -8.422 -21.174 -24.415 1.00 0.00 O ATOM 130 OE2 GLU A 7 -8.103 -19.856 -22.741 1.00 0.00 O ATOM 0 H GLU A 7 -12.779 -17.971 -24.330 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.397 -19.175 -23.049 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.390 -19.517 -25.694 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -10.155 -17.782 -25.762 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.968 -18.997 -25.767 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.116 -17.958 -24.364 1.00 0.00 H new ATOM 137 N GLY A 8 -10.258 -16.935 -22.046 1.00 0.00 N ATOM 138 CA GLY A 8 -10.108 -15.571 -21.466 1.00 0.00 C ATOM 139 C GLY A 8 -9.420 -15.667 -20.103 1.00 0.00 C ATOM 140 O GLY A 8 -10.064 -15.744 -19.077 1.00 0.00 O ATOM 0 H GLY A 8 -10.043 -17.703 -21.410 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -9.523 -14.942 -22.137 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.085 -15.101 -21.359 1.00 0.00 H new ATOM 144 N SER A 9 -8.114 -15.661 -20.086 1.00 0.00 N ATOM 145 CA SER A 9 -7.387 -15.750 -18.792 1.00 0.00 C ATOM 146 C SER A 9 -5.894 -15.484 -19.005 1.00 0.00 C ATOM 147 O SER A 9 -5.361 -15.704 -20.075 1.00 0.00 O ATOM 148 CB SER A 9 -7.615 -17.179 -18.302 1.00 0.00 C ATOM 149 OG SER A 9 -7.811 -18.033 -19.422 1.00 0.00 O ATOM 0 H SER A 9 -7.521 -15.598 -20.914 1.00 0.00 H new ATOM 0 HA SER A 9 -7.740 -15.014 -18.070 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.759 -17.517 -17.718 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.484 -17.216 -17.645 1.00 0.00 H new ATOM 0 HG SER A 9 -7.956 -18.951 -19.112 1.00 0.00 H new ATOM 155 N TYR A 10 -5.215 -15.014 -17.994 1.00 0.00 N ATOM 156 CA TYR A 10 -3.757 -14.734 -18.139 1.00 0.00 C ATOM 157 C TYR A 10 -3.534 -13.583 -19.124 1.00 0.00 C ATOM 158 O TYR A 10 -2.419 -13.285 -19.502 1.00 0.00 O ATOM 159 CB TYR A 10 -3.156 -16.031 -18.684 1.00 0.00 C ATOM 160 CG TYR A 10 -1.841 -16.305 -17.995 1.00 0.00 C ATOM 161 CD1 TYR A 10 -0.775 -15.409 -18.139 1.00 0.00 C ATOM 162 CD2 TYR A 10 -1.687 -17.457 -17.212 1.00 0.00 C ATOM 163 CE1 TYR A 10 0.444 -15.665 -17.501 1.00 0.00 C ATOM 164 CE2 TYR A 10 -0.468 -17.711 -16.575 1.00 0.00 C ATOM 165 CZ TYR A 10 0.598 -16.815 -16.718 1.00 0.00 C ATOM 166 OH TYR A 10 1.801 -17.066 -16.089 1.00 0.00 O ATOM 0 H TYR A 10 -5.606 -14.812 -17.074 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.298 -14.437 -17.196 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -3.844 -16.860 -18.520 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.005 -15.950 -19.760 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.893 -14.521 -18.742 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -2.509 -18.148 -17.100 1.00 0.00 H new ATOM 0 HE1 TYR A 10 1.267 -14.974 -17.613 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.349 -18.599 -15.972 1.00 0.00 H new ATOM 0 HH TYR A 10 2.242 -16.217 -15.876 1.00 0.00 H new ATOM 176 N ASP A 11 -4.586 -12.936 -19.544 1.00 0.00 N ATOM 177 CA ASP A 11 -4.435 -11.810 -20.504 1.00 0.00 C ATOM 178 C ASP A 11 -3.769 -10.613 -19.817 1.00 0.00 C ATOM 179 O ASP A 11 -2.560 -10.494 -19.792 1.00 0.00 O ATOM 180 CB ASP A 11 -5.860 -11.461 -20.934 1.00 0.00 C ATOM 181 CG ASP A 11 -6.190 -12.182 -22.242 1.00 0.00 C ATOM 182 OD1 ASP A 11 -5.262 -12.590 -22.922 1.00 0.00 O ATOM 183 OD2 ASP A 11 -7.365 -12.315 -22.543 1.00 0.00 O ATOM 0 H ASP A 11 -5.545 -13.140 -19.262 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.807 -12.074 -21.355 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.567 -11.753 -20.157 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.958 -10.383 -21.066 1.00 0.00 H new ATOM 188 N LEU A 12 -4.548 -9.726 -19.259 1.00 0.00 N ATOM 189 CA LEU A 12 -3.956 -8.540 -18.576 1.00 0.00 C ATOM 190 C LEU A 12 -2.835 -7.942 -19.429 1.00 0.00 C ATOM 191 O LEU A 12 -2.657 -8.298 -20.577 1.00 0.00 O ATOM 192 CB LEU A 12 -3.398 -9.079 -17.258 1.00 0.00 C ATOM 193 CG LEU A 12 -4.505 -9.090 -16.202 1.00 0.00 C ATOM 194 CD1 LEU A 12 -3.923 -9.526 -14.856 1.00 0.00 C ATOM 195 CD2 LEU A 12 -5.094 -7.684 -16.069 1.00 0.00 C ATOM 0 H LEU A 12 -5.567 -9.771 -19.247 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.688 -7.749 -18.415 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.007 -10.086 -17.401 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.567 -8.459 -16.922 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.287 -9.787 -16.503 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.712 -9.534 -14.104 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.501 -10.527 -14.949 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.141 -8.829 -14.555 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.883 -7.690 -15.317 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.311 -6.988 -15.768 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.508 -7.371 -17.027 1.00 0.00 H new ATOM 207 N GLY A 13 -2.077 -7.034 -18.878 1.00 0.00 N ATOM 208 CA GLY A 13 -0.969 -6.413 -19.657 1.00 0.00 C ATOM 209 C GLY A 13 0.320 -6.453 -18.834 1.00 0.00 C ATOM 210 O GLY A 13 1.179 -7.284 -19.047 1.00 0.00 O ATOM 0 H GLY A 13 -2.177 -6.695 -17.921 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.829 -6.946 -20.598 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.220 -5.383 -19.909 1.00 0.00 H new ATOM 214 N LYS A 14 0.461 -5.560 -17.892 1.00 0.00 N ATOM 215 CA LYS A 14 1.692 -5.548 -17.055 1.00 0.00 C ATOM 216 C LYS A 14 1.526 -4.585 -15.877 1.00 0.00 C ATOM 217 O LYS A 14 0.993 -4.939 -14.844 1.00 0.00 O ATOM 218 CB LYS A 14 2.806 -5.078 -17.993 1.00 0.00 C ATOM 219 CG LYS A 14 3.511 -6.293 -18.599 1.00 0.00 C ATOM 220 CD LYS A 14 5.007 -6.225 -18.286 1.00 0.00 C ATOM 221 CE LYS A 14 5.787 -7.001 -19.349 1.00 0.00 C ATOM 222 NZ LYS A 14 7.048 -7.418 -18.672 1.00 0.00 N ATOM 0 H LYS A 14 -0.224 -4.839 -17.667 1.00 0.00 H new ATOM 0 HA LYS A 14 1.911 -6.527 -16.627 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.390 -4.454 -18.784 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.522 -4.465 -17.446 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.086 -7.212 -18.195 1.00 0.00 H new ATOM 0 HG3 LYS A 14 3.355 -6.316 -19.678 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.338 -5.187 -18.263 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.202 -6.644 -17.299 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.223 -7.865 -19.701 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.993 -6.379 -20.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.638 -7.957 -19.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.567 -6.574 -18.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.820 -8.014 -17.851 1.00 0.00 H new ATOM 236 N LYS A 15 1.976 -3.371 -16.021 1.00 0.00 N ATOM 237 CA LYS A 15 1.843 -2.387 -14.909 1.00 0.00 C ATOM 238 C LYS A 15 1.395 -1.028 -15.455 1.00 0.00 C ATOM 239 O LYS A 15 1.963 -0.524 -16.403 1.00 0.00 O ATOM 240 CB LYS A 15 3.242 -2.286 -14.300 1.00 0.00 C ATOM 241 CG LYS A 15 3.502 -3.504 -13.412 1.00 0.00 C ATOM 242 CD LYS A 15 3.538 -3.069 -11.946 1.00 0.00 C ATOM 243 CE LYS A 15 2.383 -3.728 -11.188 1.00 0.00 C ATOM 244 NZ LYS A 15 2.770 -3.650 -9.752 1.00 0.00 N ATOM 0 H LYS A 15 2.431 -3.016 -16.862 1.00 0.00 H new ATOM 0 HA LYS A 15 1.099 -2.693 -14.173 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.991 -2.232 -15.090 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.330 -1.371 -13.715 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.721 -4.250 -13.562 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.447 -3.972 -13.687 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.490 -3.351 -11.496 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.461 -1.984 -11.876 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.443 -3.208 -11.372 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.243 -4.762 -11.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.026 -4.083 -9.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.665 -4.159 -9.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.890 -2.654 -9.478 1.00 0.00 H new ATOM 258 N PRO A 16 0.385 -0.480 -14.834 1.00 0.00 N ATOM 259 CA PRO A 16 -0.149 0.836 -15.263 1.00 0.00 C ATOM 260 C PRO A 16 0.812 1.961 -14.865 1.00 0.00 C ATOM 261 O PRO A 16 0.895 2.341 -13.714 1.00 0.00 O ATOM 262 CB PRO A 16 -1.467 0.952 -14.504 1.00 0.00 C ATOM 263 CG PRO A 16 -1.302 0.075 -13.303 1.00 0.00 C ATOM 264 CD PRO A 16 -0.348 -1.027 -13.687 1.00 0.00 C ATOM 0 HA PRO A 16 -0.276 0.915 -16.343 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.666 1.984 -14.215 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.306 0.626 -15.118 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.912 0.646 -12.460 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.262 -0.337 -12.992 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.324 -1.277 -12.866 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -0.880 -1.941 -13.952 1.00 0.00 H new ATOM 272 N ILE A 17 1.538 2.494 -15.809 1.00 0.00 N ATOM 273 CA ILE A 17 2.492 3.593 -15.485 1.00 0.00 C ATOM 274 C ILE A 17 1.757 4.935 -15.430 1.00 0.00 C ATOM 275 O ILE A 17 0.561 5.006 -15.630 1.00 0.00 O ATOM 276 CB ILE A 17 3.507 3.586 -16.624 1.00 0.00 C ATOM 277 CG1 ILE A 17 3.931 2.147 -16.925 1.00 0.00 C ATOM 278 CG2 ILE A 17 4.734 4.406 -16.220 1.00 0.00 C ATOM 279 CD1 ILE A 17 3.529 1.784 -18.356 1.00 0.00 C ATOM 0 H ILE A 17 1.512 2.216 -16.790 1.00 0.00 H new ATOM 0 HA ILE A 17 2.968 3.452 -14.514 1.00 0.00 H new ATOM 0 HB ILE A 17 3.055 4.023 -17.514 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.009 2.041 -16.801 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.460 1.463 -16.219 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.459 4.401 -17.034 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.433 5.432 -16.009 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.186 3.970 -15.329 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.831 0.759 -18.570 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.448 1.874 -18.464 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.021 2.461 -19.055 1.00 0.00 H new ATOM 291 N TYR A 18 2.463 5.999 -15.160 1.00 0.00 N ATOM 292 CA TYR A 18 1.803 7.333 -15.092 1.00 0.00 C ATOM 293 C TYR A 18 2.823 8.442 -15.368 1.00 0.00 C ATOM 294 O TYR A 18 3.106 9.263 -14.518 1.00 0.00 O ATOM 295 CB TYR A 18 1.268 7.440 -13.664 1.00 0.00 C ATOM 296 CG TYR A 18 -0.140 7.984 -13.692 1.00 0.00 C ATOM 297 CD1 TYR A 18 -1.061 7.497 -14.628 1.00 0.00 C ATOM 298 CD2 TYR A 18 -0.523 8.978 -12.784 1.00 0.00 C ATOM 299 CE1 TYR A 18 -2.366 8.002 -14.654 1.00 0.00 C ATOM 300 CE2 TYR A 18 -1.829 9.484 -12.811 1.00 0.00 C ATOM 301 CZ TYR A 18 -2.750 8.996 -13.745 1.00 0.00 C ATOM 302 OH TYR A 18 -4.037 9.494 -13.771 1.00 0.00 O ATOM 0 H TYR A 18 3.468 6.002 -14.984 1.00 0.00 H new ATOM 0 HA TYR A 18 1.010 7.439 -15.832 1.00 0.00 H new ATOM 0 HB2 TYR A 18 1.281 6.461 -13.185 1.00 0.00 H new ATOM 0 HB3 TYR A 18 1.910 8.093 -13.072 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -0.764 6.732 -15.330 1.00 0.00 H new ATOM 0 HD2 TYR A 18 0.188 9.355 -12.063 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.077 7.625 -15.375 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.125 10.251 -12.111 1.00 0.00 H new ATOM 0 HH TYR A 18 -4.138 10.176 -13.074 1.00 0.00 H new ATOM 312 N LYS A 19 3.376 8.472 -16.550 1.00 0.00 N ATOM 313 CA LYS A 19 4.377 9.528 -16.878 1.00 0.00 C ATOM 314 C LYS A 19 4.335 9.851 -18.373 1.00 0.00 C ATOM 315 O LYS A 19 3.668 9.188 -19.142 1.00 0.00 O ATOM 316 CB LYS A 19 5.729 8.924 -16.496 1.00 0.00 C ATOM 317 CG LYS A 19 6.017 7.714 -17.389 1.00 0.00 C ATOM 318 CD LYS A 19 7.481 7.743 -17.831 1.00 0.00 C ATOM 319 CE LYS A 19 8.380 7.946 -16.609 1.00 0.00 C ATOM 320 NZ LYS A 19 9.156 6.680 -16.488 1.00 0.00 N ATOM 0 H LYS A 19 3.179 7.812 -17.302 1.00 0.00 H new ATOM 0 HA LYS A 19 4.183 10.460 -16.348 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.517 9.669 -16.609 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.722 8.623 -15.448 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.808 6.791 -16.848 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.363 7.728 -18.261 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.738 6.811 -18.334 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.639 8.547 -18.549 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.040 8.803 -16.743 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.790 8.135 -15.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.796 6.742 -15.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.501 5.883 -16.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.713 6.530 -17.354 1.00 0.00 H new ATOM 334 N LYS A 20 5.044 10.864 -18.791 1.00 0.00 N ATOM 335 CA LYS A 20 5.049 11.229 -20.235 1.00 0.00 C ATOM 336 C LYS A 20 5.830 12.530 -20.446 1.00 0.00 C ATOM 337 O LYS A 20 5.421 13.589 -20.012 1.00 0.00 O ATOM 338 CB LYS A 20 3.575 11.420 -20.604 1.00 0.00 C ATOM 339 CG LYS A 20 3.472 12.187 -21.924 1.00 0.00 C ATOM 340 CD LYS A 20 2.006 12.525 -22.205 1.00 0.00 C ATOM 341 CE LYS A 20 1.467 11.597 -23.296 1.00 0.00 C ATOM 342 NZ LYS A 20 0.538 12.443 -24.095 1.00 0.00 N ATOM 0 H LYS A 20 5.621 11.455 -18.193 1.00 0.00 H new ATOM 0 HA LYS A 20 5.526 10.467 -20.852 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.084 10.451 -20.695 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.059 11.965 -19.814 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.064 13.101 -21.873 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.881 11.588 -22.738 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.416 12.415 -21.295 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.916 13.565 -22.520 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.274 11.204 -23.914 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.949 10.740 -22.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.127 11.876 -24.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.223 12.797 -23.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.060 13.247 -24.498 1.00 0.00 H new ATOM 356 N ALA A 21 6.952 12.457 -21.109 1.00 0.00 N ATOM 357 CA ALA A 21 7.758 13.690 -21.347 1.00 0.00 C ATOM 358 C ALA A 21 8.303 13.697 -22.778 1.00 0.00 C ATOM 359 O ALA A 21 9.229 12.977 -23.094 1.00 0.00 O ATOM 360 CB ALA A 21 8.903 13.614 -20.338 1.00 0.00 C ATOM 0 H ALA A 21 7.345 11.599 -21.496 1.00 0.00 H new ATOM 0 HA ALA A 21 7.169 14.599 -21.227 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.544 14.488 -20.449 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.496 13.588 -19.327 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.487 12.711 -20.517 1.00 0.00 H new ATOM 366 N PRO A 22 7.703 14.516 -23.597 1.00 0.00 N ATOM 367 CA PRO A 22 8.128 14.626 -25.014 1.00 0.00 C ATOM 368 C PRO A 22 9.464 15.367 -25.116 1.00 0.00 C ATOM 369 O PRO A 22 9.574 16.378 -25.781 1.00 0.00 O ATOM 370 CB PRO A 22 7.007 15.432 -25.662 1.00 0.00 C ATOM 371 CG PRO A 22 6.396 16.216 -24.544 1.00 0.00 C ATOM 372 CD PRO A 22 6.584 15.410 -23.284 1.00 0.00 C ATOM 0 HA PRO A 22 8.282 13.659 -25.492 1.00 0.00 H new ATOM 0 HB2 PRO A 22 7.393 16.090 -26.440 1.00 0.00 H new ATOM 0 HB3 PRO A 22 6.273 14.778 -26.133 1.00 0.00 H new ATOM 0 HG2 PRO A 22 6.873 17.192 -24.452 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.337 16.395 -24.733 1.00 0.00 H new ATOM 0 HD2 PRO A 22 6.811 16.050 -22.431 1.00 0.00 H new ATOM 0 HD3 PRO A 22 5.684 14.849 -23.031 1.00 0.00 H new ATOM 380 N THR A 23 10.479 14.874 -24.460 1.00 0.00 N ATOM 381 CA THR A 23 11.806 15.550 -24.517 1.00 0.00 C ATOM 382 C THR A 23 12.111 16.000 -25.948 1.00 0.00 C ATOM 383 O THR A 23 12.606 15.241 -26.757 1.00 0.00 O ATOM 384 CB THR A 23 12.811 14.489 -24.063 1.00 0.00 C ATOM 385 OG1 THR A 23 12.178 13.599 -23.154 1.00 0.00 O ATOM 386 CG2 THR A 23 13.996 15.167 -23.374 1.00 0.00 C ATOM 0 H THR A 23 10.446 14.031 -23.886 1.00 0.00 H new ATOM 0 HA THR A 23 11.842 16.441 -23.890 1.00 0.00 H new ATOM 0 HB THR A 23 13.168 13.932 -24.929 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.819 12.918 -22.863 1.00 0.00 H new ATOM 0 HG21 THR A 23 14.711 14.410 -23.051 1.00 0.00 H new ATOM 0 HG22 THR A 23 14.481 15.850 -24.072 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.642 15.725 -22.507 1.00 0.00 H new ATOM 394 N ASN A 24 11.819 17.232 -26.267 1.00 0.00 N ATOM 395 CA ASN A 24 12.093 17.730 -27.646 1.00 0.00 C ATOM 396 C ASN A 24 13.365 18.582 -27.657 1.00 0.00 C ATOM 397 O ASN A 24 13.553 19.446 -26.825 1.00 0.00 O ATOM 398 CB ASN A 24 10.876 18.580 -28.008 1.00 0.00 C ATOM 399 CG ASN A 24 10.000 17.818 -29.006 1.00 0.00 C ATOM 400 OD1 ASN A 24 10.248 17.845 -30.194 1.00 0.00 O ATOM 401 ND2 ASN A 24 8.978 17.136 -28.569 1.00 0.00 N ATOM 0 H ASN A 24 11.403 17.915 -25.633 1.00 0.00 H new ATOM 0 HA ASN A 24 12.249 16.918 -28.356 1.00 0.00 H new ATOM 0 HB2 ASN A 24 10.303 18.815 -27.111 1.00 0.00 H new ATOM 0 HB3 ASN A 24 11.197 19.528 -28.439 1.00 0.00 H new ATOM 0 HD21 ASN A 24 8.387 16.625 -29.225 1.00 0.00 H new ATOM 0 HD22 ASN A 24 8.769 17.113 -27.571 1.00 0.00 H new ATOM 408 N GLU A 25 14.241 18.344 -28.596 1.00 0.00 N ATOM 409 CA GLU A 25 15.500 19.141 -28.660 1.00 0.00 C ATOM 410 C GLU A 25 16.240 18.856 -29.971 1.00 0.00 C ATOM 411 O GLU A 25 17.452 18.905 -30.032 1.00 0.00 O ATOM 412 CB GLU A 25 16.327 18.671 -27.463 1.00 0.00 C ATOM 413 CG GLU A 25 16.678 17.192 -27.634 1.00 0.00 C ATOM 414 CD GLU A 25 18.116 16.951 -27.172 1.00 0.00 C ATOM 415 OE1 GLU A 25 18.497 17.524 -26.164 1.00 0.00 O ATOM 416 OE2 GLU A 25 18.812 16.199 -27.833 1.00 0.00 O ATOM 0 H GLU A 25 14.139 17.633 -29.320 1.00 0.00 H new ATOM 0 HA GLU A 25 15.312 20.214 -28.629 1.00 0.00 H new ATOM 0 HB2 GLU A 25 17.238 19.265 -27.381 1.00 0.00 H new ATOM 0 HB3 GLU A 25 15.766 18.818 -26.540 1.00 0.00 H new ATOM 0 HG2 GLU A 25 15.991 16.575 -27.055 1.00 0.00 H new ATOM 0 HG3 GLU A 25 16.567 16.899 -28.678 1.00 0.00 H new ATOM 423 N PHE A 26 15.519 18.560 -31.017 1.00 0.00 N ATOM 424 CA PHE A 26 16.183 18.272 -32.321 1.00 0.00 C ATOM 425 C PHE A 26 16.740 19.563 -32.928 1.00 0.00 C ATOM 426 O PHE A 26 16.703 20.613 -32.317 1.00 0.00 O ATOM 427 CB PHE A 26 15.078 17.696 -33.208 1.00 0.00 C ATOM 428 CG PHE A 26 15.685 16.756 -34.222 1.00 0.00 C ATOM 429 CD1 PHE A 26 16.547 15.736 -33.803 1.00 0.00 C ATOM 430 CD2 PHE A 26 15.386 16.906 -35.582 1.00 0.00 C ATOM 431 CE1 PHE A 26 17.110 14.864 -34.743 1.00 0.00 C ATOM 432 CE2 PHE A 26 15.949 16.035 -36.523 1.00 0.00 C ATOM 433 CZ PHE A 26 16.811 15.014 -36.103 1.00 0.00 C ATOM 0 H PHE A 26 14.501 18.505 -31.026 1.00 0.00 H new ATOM 0 HA PHE A 26 17.022 17.584 -32.215 1.00 0.00 H new ATOM 0 HB2 PHE A 26 14.346 17.167 -32.598 1.00 0.00 H new ATOM 0 HB3 PHE A 26 14.547 18.502 -33.715 1.00 0.00 H new ATOM 0 HD1 PHE A 26 16.778 15.621 -32.754 1.00 0.00 H new ATOM 0 HD2 PHE A 26 14.721 17.693 -35.905 1.00 0.00 H new ATOM 0 HE1 PHE A 26 17.774 14.076 -34.419 1.00 0.00 H new ATOM 0 HE2 PHE A 26 15.719 16.150 -37.572 1.00 0.00 H new ATOM 0 HZ PHE A 26 17.245 14.342 -36.828 1.00 0.00 H new ATOM 443 N TYR A 27 17.256 19.493 -34.124 1.00 0.00 N ATOM 444 CA TYR A 27 17.815 20.717 -34.767 1.00 0.00 C ATOM 445 C TYR A 27 17.278 20.857 -36.194 1.00 0.00 C ATOM 446 O TYR A 27 16.449 21.698 -36.475 1.00 0.00 O ATOM 447 CB TYR A 27 19.329 20.499 -34.782 1.00 0.00 C ATOM 448 CG TYR A 27 19.973 21.512 -35.699 1.00 0.00 C ATOM 449 CD1 TYR A 27 19.648 22.868 -35.584 1.00 0.00 C ATOM 450 CD2 TYR A 27 20.896 21.092 -36.666 1.00 0.00 C ATOM 451 CE1 TYR A 27 20.246 23.807 -36.433 1.00 0.00 C ATOM 452 CE2 TYR A 27 21.494 22.031 -37.516 1.00 0.00 C ATOM 453 CZ TYR A 27 21.168 23.388 -37.400 1.00 0.00 C ATOM 454 OH TYR A 27 21.758 24.313 -38.238 1.00 0.00 O ATOM 0 H TYR A 27 17.315 18.642 -34.684 1.00 0.00 H new ATOM 0 HA TYR A 27 17.539 21.627 -34.234 1.00 0.00 H new ATOM 0 HB2 TYR A 27 19.732 20.597 -33.774 1.00 0.00 H new ATOM 0 HB3 TYR A 27 19.559 19.488 -35.120 1.00 0.00 H new ATOM 0 HD1 TYR A 27 18.935 23.191 -34.840 1.00 0.00 H new ATOM 0 HD2 TYR A 27 21.146 20.045 -36.756 1.00 0.00 H new ATOM 0 HE1 TYR A 27 19.996 24.854 -36.342 1.00 0.00 H new ATOM 0 HE2 TYR A 27 22.206 21.709 -38.261 1.00 0.00 H new ATOM 0 HH TYR A 27 22.373 23.856 -38.849 1.00 0.00 H new ATOM 464 N ALA A 28 17.744 20.038 -37.096 1.00 0.00 N ATOM 465 CA ALA A 28 17.259 20.124 -38.504 1.00 0.00 C ATOM 466 C ALA A 28 17.548 18.815 -39.245 1.00 0.00 C ATOM 467 O ALA A 28 16.798 17.872 -39.054 1.00 0.00 O ATOM 468 CB ALA A 28 18.049 21.277 -39.124 1.00 0.00 C ATOM 469 OXT ALA A 28 18.515 18.779 -39.988 1.00 0.00 O ATOM 0 H ALA A 28 18.439 19.313 -36.920 1.00 0.00 H new ATOM 0 HA ALA A 28 16.183 20.289 -38.561 1.00 0.00 H new ATOM 0 HB1 ALA A 28 17.749 21.406 -40.164 1.00 0.00 H new ATOM 0 HB2 ALA A 28 17.847 22.195 -38.572 1.00 0.00 H new ATOM 0 HB3 ALA A 28 19.115 21.054 -39.079 1.00 0.00 H new TER 475 ALA A 28 ATOM 476 N ARG B 1 16.627 -14.319 1.681 1.00 0.00 N ATOM 477 CA ARG B 1 15.353 -13.541 1.689 1.00 0.00 C ATOM 478 C ARG B 1 14.388 -14.097 0.640 1.00 0.00 C ATOM 479 O ARG B 1 13.188 -14.108 0.831 1.00 0.00 O ATOM 480 CB ARG B 1 15.762 -12.109 1.339 1.00 0.00 C ATOM 481 CG ARG B 1 16.421 -11.454 2.553 1.00 0.00 C ATOM 482 CD ARG B 1 15.452 -10.447 3.180 1.00 0.00 C ATOM 483 NE ARG B 1 16.215 -9.170 3.246 1.00 0.00 N ATOM 484 CZ ARG B 1 17.108 -8.991 4.182 1.00 0.00 C ATOM 485 NH1 ARG B 1 16.882 -9.426 5.391 1.00 0.00 N ATOM 486 NH2 ARG B 1 18.226 -8.378 3.907 1.00 0.00 N ATOM 0 H1 ARG B 1 17.134 -14.164 2.575 1.00 0.00 H new ATOM 0 H2 ARG B 1 16.415 -15.332 1.575 1.00 0.00 H new ATOM 0 H3 ARG B 1 17.221 -14.005 0.887 1.00 0.00 H new ATOM 0 HA ARG B 1 14.841 -13.595 2.650 1.00 0.00 H new ATOM 0 HB2 ARG B 1 16.452 -12.113 0.495 1.00 0.00 H new ATOM 0 HB3 ARG B 1 14.888 -11.535 1.033 1.00 0.00 H new ATOM 0 HG2 ARG B 1 16.696 -12.214 3.285 1.00 0.00 H new ATOM 0 HG3 ARG B 1 17.341 -10.952 2.254 1.00 0.00 H new ATOM 0 HD2 ARG B 1 14.551 -10.338 2.577 1.00 0.00 H new ATOM 0 HD3 ARG B 1 15.135 -10.769 4.172 1.00 0.00 H new ATOM 0 HE ARG B 1 16.040 -8.435 2.560 1.00 0.00 H new ATOM 0 HH11 ARG B 1 16.008 -9.906 5.605 1.00 0.00 H new ATOM 0 HH12 ARG B 1 17.579 -9.286 6.122 1.00 0.00 H new ATOM 0 HH21 ARG B 1 18.402 -8.039 2.961 1.00 0.00 H new ATOM 0 HH22 ARG B 1 18.924 -8.238 4.638 1.00 0.00 H new ATOM 502 N MET B 2 14.901 -14.557 -0.468 1.00 0.00 N ATOM 503 CA MET B 2 14.011 -15.112 -1.528 1.00 0.00 C ATOM 504 C MET B 2 13.800 -16.612 -1.311 1.00 0.00 C ATOM 505 O MET B 2 14.696 -17.320 -0.894 1.00 0.00 O ATOM 506 CB MET B 2 14.753 -14.858 -2.841 1.00 0.00 C ATOM 507 CG MET B 2 13.784 -14.279 -3.872 1.00 0.00 C ATOM 508 SD MET B 2 13.991 -15.145 -5.448 1.00 0.00 S ATOM 509 CE MET B 2 14.835 -13.809 -6.331 1.00 0.00 C ATOM 0 H MET B 2 15.897 -14.573 -0.686 1.00 0.00 H new ATOM 0 HA MET B 2 13.024 -14.650 -1.522 1.00 0.00 H new ATOM 0 HB2 MET B 2 15.580 -14.167 -2.676 1.00 0.00 H new ATOM 0 HB3 MET B 2 15.184 -15.788 -3.213 1.00 0.00 H new ATOM 0 HG2 MET B 2 12.758 -14.382 -3.520 1.00 0.00 H new ATOM 0 HG3 MET B 2 13.970 -13.213 -4.003 1.00 0.00 H new ATOM 0 HE1 MET B 2 15.063 -14.131 -7.347 1.00 0.00 H new ATOM 0 HE2 MET B 2 14.190 -12.931 -6.365 1.00 0.00 H new ATOM 0 HE3 MET B 2 15.761 -13.559 -5.813 1.00 0.00 H new ATOM 519 N LYS B 3 12.624 -17.103 -1.590 1.00 0.00 N ATOM 520 CA LYS B 3 12.359 -18.558 -1.399 1.00 0.00 C ATOM 521 C LYS B 3 11.765 -19.159 -2.677 1.00 0.00 C ATOM 522 O LYS B 3 11.649 -18.498 -3.690 1.00 0.00 O ATOM 523 CB LYS B 3 11.348 -18.629 -0.254 1.00 0.00 C ATOM 524 CG LYS B 3 11.962 -19.390 0.923 1.00 0.00 C ATOM 525 CD LYS B 3 11.965 -20.889 0.616 1.00 0.00 C ATOM 526 CE LYS B 3 12.339 -21.668 1.879 1.00 0.00 C ATOM 527 NZ LYS B 3 13.475 -22.540 1.470 1.00 0.00 N ATOM 0 H LYS B 3 11.835 -16.560 -1.942 1.00 0.00 H new ATOM 0 HA LYS B 3 13.267 -19.118 -1.176 1.00 0.00 H new ATOM 0 HB2 LYS B 3 11.064 -17.624 0.058 1.00 0.00 H new ATOM 0 HB3 LYS B 3 10.438 -19.128 -0.588 1.00 0.00 H new ATOM 0 HG2 LYS B 3 12.979 -19.043 1.103 1.00 0.00 H new ATOM 0 HG3 LYS B 3 11.393 -19.195 1.832 1.00 0.00 H new ATOM 0 HD2 LYS B 3 10.982 -21.200 0.261 1.00 0.00 H new ATOM 0 HD3 LYS B 3 12.675 -21.106 -0.182 1.00 0.00 H new ATOM 0 HE2 LYS B 3 12.628 -20.996 2.687 1.00 0.00 H new ATOM 0 HE3 LYS B 3 11.498 -22.259 2.242 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 13.788 -23.107 2.284 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 13.168 -23.174 0.705 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 14.263 -21.949 1.136 1.00 0.00 H new ATOM 541 N LYS B 4 11.389 -20.408 -2.636 1.00 0.00 N ATOM 542 CA LYS B 4 10.803 -21.050 -3.848 1.00 0.00 C ATOM 543 C LYS B 4 9.330 -21.387 -3.609 1.00 0.00 C ATOM 544 O LYS B 4 8.948 -21.825 -2.542 1.00 0.00 O ATOM 545 CB LYS B 4 11.618 -22.327 -4.052 1.00 0.00 C ATOM 546 CG LYS B 4 11.333 -22.900 -5.442 1.00 0.00 C ATOM 547 CD LYS B 4 11.702 -24.384 -5.469 1.00 0.00 C ATOM 548 CE LYS B 4 11.306 -24.984 -6.821 1.00 0.00 C ATOM 549 NZ LYS B 4 12.348 -26.010 -7.105 1.00 0.00 N ATOM 0 H LYS B 4 11.462 -21.012 -1.817 1.00 0.00 H new ATOM 0 HA LYS B 4 10.841 -20.397 -4.720 1.00 0.00 H new ATOM 0 HB2 LYS B 4 12.682 -22.113 -3.947 1.00 0.00 H new ATOM 0 HB3 LYS B 4 11.363 -23.060 -3.286 1.00 0.00 H new ATOM 0 HG2 LYS B 4 10.279 -22.772 -5.690 1.00 0.00 H new ATOM 0 HG3 LYS B 4 11.906 -22.358 -6.195 1.00 0.00 H new ATOM 0 HD2 LYS B 4 12.772 -24.507 -5.304 1.00 0.00 H new ATOM 0 HD3 LYS B 4 11.193 -24.911 -4.662 1.00 0.00 H new ATOM 0 HE2 LYS B 4 10.313 -25.431 -6.779 1.00 0.00 H new ATOM 0 HE3 LYS B 4 11.280 -24.221 -7.599 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 12.146 -26.467 -8.017 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 13.282 -25.554 -7.145 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 12.345 -26.726 -6.351 1.00 0.00 H new ATOM 563 N LYS B 5 8.497 -21.183 -4.594 1.00 0.00 N ATOM 564 CA LYS B 5 7.049 -21.492 -4.422 1.00 0.00 C ATOM 565 C LYS B 5 6.481 -22.102 -5.706 1.00 0.00 C ATOM 566 O LYS B 5 7.082 -22.025 -6.760 1.00 0.00 O ATOM 567 CB LYS B 5 6.389 -20.143 -4.131 1.00 0.00 C ATOM 568 CG LYS B 5 5.601 -20.232 -2.823 1.00 0.00 C ATOM 569 CD LYS B 5 6.514 -19.869 -1.651 1.00 0.00 C ATOM 570 CE LYS B 5 5.958 -20.476 -0.361 1.00 0.00 C ATOM 571 NZ LYS B 5 6.080 -19.395 0.657 1.00 0.00 N ATOM 0 H LYS B 5 8.757 -20.816 -5.510 1.00 0.00 H new ATOM 0 HA LYS B 5 6.873 -22.213 -3.624 1.00 0.00 H new ATOM 0 HB2 LYS B 5 7.147 -19.363 -4.059 1.00 0.00 H new ATOM 0 HB3 LYS B 5 5.725 -19.867 -4.950 1.00 0.00 H new ATOM 0 HG2 LYS B 5 4.746 -19.556 -2.855 1.00 0.00 H new ATOM 0 HG3 LYS B 5 5.206 -21.240 -2.692 1.00 0.00 H new ATOM 0 HD2 LYS B 5 7.523 -20.240 -1.834 1.00 0.00 H new ATOM 0 HD3 LYS B 5 6.585 -18.786 -1.554 1.00 0.00 H new ATOM 0 HE2 LYS B 5 4.920 -20.786 -0.486 1.00 0.00 H new ATOM 0 HE3 LYS B 5 6.522 -21.361 -0.066 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 5.718 -19.736 1.570 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 7.079 -19.126 0.759 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 5.528 -18.568 0.353 1.00 0.00 H new ATOM 585 N ASP B 6 5.329 -22.708 -5.628 1.00 0.00 N ATOM 586 CA ASP B 6 4.724 -23.322 -6.845 1.00 0.00 C ATOM 587 C ASP B 6 3.479 -22.537 -7.271 1.00 0.00 C ATOM 588 O ASP B 6 2.399 -23.082 -7.383 1.00 0.00 O ATOM 589 CB ASP B 6 4.345 -24.743 -6.427 1.00 0.00 C ATOM 590 CG ASP B 6 5.038 -25.749 -7.347 1.00 0.00 C ATOM 591 OD1 ASP B 6 6.222 -25.974 -7.160 1.00 0.00 O ATOM 592 OD2 ASP B 6 4.373 -26.276 -8.222 1.00 0.00 O ATOM 0 H ASP B 6 4.779 -22.805 -4.774 1.00 0.00 H new ATOM 0 HA ASP B 6 5.408 -23.316 -7.693 1.00 0.00 H new ATOM 0 HB2 ASP B 6 4.638 -24.919 -5.392 1.00 0.00 H new ATOM 0 HB3 ASP B 6 3.264 -24.872 -6.478 1.00 0.00 H new ATOM 597 N GLU B 7 3.623 -21.262 -7.511 1.00 0.00 N ATOM 598 CA GLU B 7 2.448 -20.446 -7.930 1.00 0.00 C ATOM 599 C GLU B 7 2.916 -19.171 -8.639 1.00 0.00 C ATOM 600 O GLU B 7 3.560 -18.324 -8.053 1.00 0.00 O ATOM 601 CB GLU B 7 1.723 -20.099 -6.628 1.00 0.00 C ATOM 602 CG GLU B 7 0.287 -19.675 -6.941 1.00 0.00 C ATOM 603 CD GLU B 7 -0.420 -20.794 -7.709 1.00 0.00 C ATOM 604 OE1 GLU B 7 -0.796 -21.771 -7.082 1.00 0.00 O ATOM 605 OE2 GLU B 7 -0.574 -20.655 -8.912 1.00 0.00 O ATOM 0 H GLU B 7 4.502 -20.751 -7.435 1.00 0.00 H new ATOM 0 HA GLU B 7 1.802 -20.979 -8.627 1.00 0.00 H new ATOM 0 HB2 GLU B 7 1.722 -20.960 -5.959 1.00 0.00 H new ATOM 0 HB3 GLU B 7 2.246 -19.295 -6.111 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -0.249 -19.459 -6.017 1.00 0.00 H new ATOM 0 HG3 GLU B 7 0.288 -18.759 -7.531 1.00 0.00 H new ATOM 612 N GLY B 8 2.597 -19.031 -9.897 1.00 0.00 N ATOM 613 CA GLY B 8 3.023 -17.813 -10.641 1.00 0.00 C ATOM 614 C GLY B 8 2.323 -17.773 -12.000 1.00 0.00 C ATOM 615 O GLY B 8 2.846 -18.238 -12.993 1.00 0.00 O ATOM 0 H GLY B 8 2.060 -19.707 -10.441 1.00 0.00 H new ATOM 0 HA2 GLY B 8 2.777 -16.919 -10.067 1.00 0.00 H new ATOM 0 HA3 GLY B 8 4.104 -17.817 -10.777 1.00 0.00 H new ATOM 619 N SER B 9 1.144 -17.217 -12.054 1.00 0.00 N ATOM 620 CA SER B 9 0.412 -17.144 -13.347 1.00 0.00 C ATOM 621 C SER B 9 -0.821 -16.247 -13.208 1.00 0.00 C ATOM 622 O SER B 9 -1.367 -16.088 -12.135 1.00 0.00 O ATOM 623 CB SER B 9 -0.001 -18.583 -13.653 1.00 0.00 C ATOM 624 OG SER B 9 -0.154 -19.297 -12.433 1.00 0.00 O ATOM 0 H SER B 9 0.656 -16.810 -11.256 1.00 0.00 H new ATOM 0 HA SER B 9 1.024 -16.720 -14.143 1.00 0.00 H new ATOM 0 HB2 SER B 9 -0.936 -18.594 -14.214 1.00 0.00 H new ATOM 0 HB3 SER B 9 0.751 -19.064 -14.278 1.00 0.00 H new ATOM 0 HG SER B 9 -0.420 -20.220 -12.625 1.00 0.00 H new ATOM 630 N TYR B 10 -1.264 -15.659 -14.286 1.00 0.00 N ATOM 631 CA TYR B 10 -2.461 -14.773 -14.216 1.00 0.00 C ATOM 632 C TYR B 10 -2.149 -13.526 -13.384 1.00 0.00 C ATOM 633 O TYR B 10 -3.022 -12.740 -13.074 1.00 0.00 O ATOM 634 CB TYR B 10 -3.540 -15.616 -13.535 1.00 0.00 C ATOM 635 CG TYR B 10 -4.866 -15.389 -14.220 1.00 0.00 C ATOM 636 CD1 TYR B 10 -5.448 -14.115 -14.214 1.00 0.00 C ATOM 637 CD2 TYR B 10 -5.514 -16.452 -14.861 1.00 0.00 C ATOM 638 CE1 TYR B 10 -6.677 -13.905 -14.849 1.00 0.00 C ATOM 639 CE2 TYR B 10 -6.743 -16.241 -15.497 1.00 0.00 C ATOM 640 CZ TYR B 10 -7.325 -14.967 -15.491 1.00 0.00 C ATOM 641 OH TYR B 10 -8.537 -14.760 -16.117 1.00 0.00 O ATOM 0 H TYR B 10 -0.848 -15.754 -15.213 1.00 0.00 H new ATOM 0 HA TYR B 10 -2.776 -14.427 -15.200 1.00 0.00 H new ATOM 0 HB2 TYR B 10 -3.273 -16.672 -13.579 1.00 0.00 H new ATOM 0 HB3 TYR B 10 -3.613 -15.349 -12.481 1.00 0.00 H new ATOM 0 HD1 TYR B 10 -4.948 -13.295 -13.719 1.00 0.00 H new ATOM 0 HD2 TYR B 10 -5.066 -17.435 -14.865 1.00 0.00 H new ATOM 0 HE1 TYR B 10 -7.126 -12.923 -14.844 1.00 0.00 H new ATOM 0 HE2 TYR B 10 -7.242 -17.061 -15.992 1.00 0.00 H new ATOM 0 HH TYR B 10 -8.540 -13.876 -16.540 1.00 0.00 H new ATOM 651 N ASP B 11 -0.910 -13.340 -13.017 1.00 0.00 N ATOM 652 CA ASP B 11 -0.545 -12.148 -12.205 1.00 0.00 C ATOM 653 C ASP B 11 -0.659 -10.875 -13.049 1.00 0.00 C ATOM 654 O ASP B 11 -1.704 -10.259 -13.120 1.00 0.00 O ATOM 655 CB ASP B 11 0.905 -12.388 -11.782 1.00 0.00 C ATOM 656 CG ASP B 11 0.934 -13.015 -10.388 1.00 0.00 C ATOM 657 OD1 ASP B 11 -0.061 -12.906 -9.689 1.00 0.00 O ATOM 658 OD2 ASP B 11 1.950 -13.596 -10.042 1.00 0.00 O ATOM 0 H ASP B 11 -0.136 -13.963 -13.245 1.00 0.00 H new ATOM 0 HA ASP B 11 -1.203 -12.015 -11.346 1.00 0.00 H new ATOM 0 HB2 ASP B 11 1.400 -13.045 -12.498 1.00 0.00 H new ATOM 0 HB3 ASP B 11 1.455 -11.447 -11.780 1.00 0.00 H new ATOM 663 N LEU B 12 0.407 -10.477 -13.689 1.00 0.00 N ATOM 664 CA LEU B 12 0.355 -9.244 -14.527 1.00 0.00 C ATOM 665 C LEU B 12 -0.383 -8.128 -13.783 1.00 0.00 C ATOM 666 O LEU B 12 -0.664 -8.234 -12.606 1.00 0.00 O ATOM 667 CB LEU B 12 -0.414 -9.652 -15.784 1.00 0.00 C ATOM 668 CG LEU B 12 0.555 -10.258 -16.801 1.00 0.00 C ATOM 669 CD1 LEU B 12 -0.194 -10.565 -18.099 1.00 0.00 C ATOM 670 CD2 LEU B 12 1.680 -9.261 -17.088 1.00 0.00 C ATOM 0 H LEU B 12 1.310 -10.951 -13.668 1.00 0.00 H new ATOM 0 HA LEU B 12 1.349 -8.863 -14.763 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -1.190 -10.374 -15.530 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -0.914 -8.785 -16.215 1.00 0.00 H new ATOM 0 HG LEU B 12 0.977 -11.179 -16.397 1.00 0.00 H new ATOM 0 HD11 LEU B 12 0.496 -10.997 -18.824 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -0.998 -11.273 -17.897 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -0.615 -9.644 -18.503 1.00 0.00 H new ATOM 0 HD21 LEU B 12 2.371 -9.691 -17.813 1.00 0.00 H new ATOM 0 HD22 LEU B 12 1.257 -8.341 -17.492 1.00 0.00 H new ATOM 0 HD23 LEU B 12 2.214 -9.039 -16.164 1.00 0.00 H new ATOM 682 N GLY B 13 -0.699 -7.060 -14.461 1.00 0.00 N ATOM 683 CA GLY B 13 -1.419 -5.939 -13.793 1.00 0.00 C ATOM 684 C GLY B 13 -2.624 -5.527 -14.639 1.00 0.00 C ATOM 685 O GLY B 13 -3.750 -5.884 -14.350 1.00 0.00 O ATOM 0 H GLY B 13 -0.490 -6.915 -15.449 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -1.747 -6.245 -12.799 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -0.748 -5.090 -13.660 1.00 0.00 H new ATOM 689 N LYS B 14 -2.399 -4.781 -15.686 1.00 0.00 N ATOM 690 CA LYS B 14 -3.532 -4.349 -16.551 1.00 0.00 C ATOM 691 C LYS B 14 -3.005 -3.698 -17.833 1.00 0.00 C ATOM 692 O LYS B 14 -2.700 -4.366 -18.800 1.00 0.00 O ATOM 693 CB LYS B 14 -4.316 -3.342 -15.707 1.00 0.00 C ATOM 694 CG LYS B 14 -5.453 -4.061 -14.979 1.00 0.00 C ATOM 695 CD LYS B 14 -6.786 -3.403 -15.338 1.00 0.00 C ATOM 696 CE LYS B 14 -7.794 -3.640 -14.210 1.00 0.00 C ATOM 697 NZ LYS B 14 -9.129 -3.563 -14.866 1.00 0.00 N ATOM 0 H LYS B 14 -1.479 -4.452 -15.979 1.00 0.00 H new ATOM 0 HA LYS B 14 -4.157 -5.186 -16.862 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -3.654 -2.863 -14.986 1.00 0.00 H new ATOM 0 HB3 LYS B 14 -4.718 -2.554 -16.343 1.00 0.00 H new ATOM 0 HG2 LYS B 14 -5.469 -5.115 -15.258 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -5.293 -4.019 -13.902 1.00 0.00 H new ATOM 0 HD2 LYS B 14 -6.645 -2.334 -15.495 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -7.167 -3.815 -16.273 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -7.640 -4.612 -13.740 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -7.695 -2.888 -13.427 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -9.874 -3.716 -14.156 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -9.250 -2.625 -15.298 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 -9.197 -4.295 -15.602 1.00 0.00 H new ATOM 711 N LYS B 15 -2.894 -2.400 -17.848 1.00 0.00 N ATOM 712 CA LYS B 15 -2.387 -1.709 -19.069 1.00 0.00 C ATOM 713 C LYS B 15 -1.391 -0.611 -18.679 1.00 0.00 C ATOM 714 O LYS B 15 -1.665 0.197 -17.815 1.00 0.00 O ATOM 715 CB LYS B 15 -3.627 -1.098 -19.723 1.00 0.00 C ATOM 716 CG LYS B 15 -4.403 -2.189 -20.463 1.00 0.00 C ATOM 717 CD LYS B 15 -4.290 -1.961 -21.972 1.00 0.00 C ATOM 718 CE LYS B 15 -3.545 -3.134 -22.612 1.00 0.00 C ATOM 719 NZ LYS B 15 -3.902 -3.074 -24.056 1.00 0.00 N ATOM 0 H LYS B 15 -3.132 -1.786 -17.069 1.00 0.00 H new ATOM 0 HA LYS B 15 -1.865 -2.389 -19.742 1.00 0.00 H new ATOM 0 HB2 LYS B 15 -4.261 -0.636 -18.966 1.00 0.00 H new ATOM 0 HB3 LYS B 15 -3.334 -0.310 -20.417 1.00 0.00 H new ATOM 0 HG2 LYS B 15 -4.009 -3.171 -20.202 1.00 0.00 H new ATOM 0 HG3 LYS B 15 -5.450 -2.175 -20.160 1.00 0.00 H new ATOM 0 HD2 LYS B 15 -5.283 -1.864 -22.411 1.00 0.00 H new ATOM 0 HD3 LYS B 15 -3.761 -1.029 -22.171 1.00 0.00 H new ATOM 0 HE2 LYS B 15 -2.468 -3.044 -22.467 1.00 0.00 H new ATOM 0 HE3 LYS B 15 -3.848 -4.083 -22.169 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 -3.428 -3.849 -24.563 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 -4.932 -3.169 -24.163 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 -3.595 -2.162 -24.452 1.00 0.00 H new ATOM 733 N PRO B 16 -0.261 -0.622 -19.334 1.00 0.00 N ATOM 734 CA PRO B 16 0.792 0.384 -19.053 1.00 0.00 C ATOM 735 C PRO B 16 0.387 1.753 -19.610 1.00 0.00 C ATOM 736 O PRO B 16 0.442 1.989 -20.801 1.00 0.00 O ATOM 737 CB PRO B 16 2.014 -0.162 -19.786 1.00 0.00 C ATOM 738 CG PRO B 16 1.460 -1.025 -20.874 1.00 0.00 C ATOM 739 CD PRO B 16 0.140 -1.563 -20.386 1.00 0.00 C ATOM 0 HA PRO B 16 0.971 0.531 -17.988 1.00 0.00 H new ATOM 0 HB2 PRO B 16 2.623 0.645 -20.194 1.00 0.00 H new ATOM 0 HB3 PRO B 16 2.653 -0.735 -19.115 1.00 0.00 H new ATOM 0 HG2 PRO B 16 1.326 -0.450 -21.791 1.00 0.00 H new ATOM 0 HG3 PRO B 16 2.146 -1.840 -21.106 1.00 0.00 H new ATOM 0 HD2 PRO B 16 -0.596 -1.602 -21.189 1.00 0.00 H new ATOM 0 HD3 PRO B 16 0.241 -2.576 -19.997 1.00 0.00 H new ATOM 747 N ILE B 17 -0.018 2.653 -18.757 1.00 0.00 N ATOM 748 CA ILE B 17 -0.426 4.005 -19.238 1.00 0.00 C ATOM 749 C ILE B 17 0.808 4.891 -19.436 1.00 0.00 C ATOM 750 O ILE B 17 1.926 4.472 -19.214 1.00 0.00 O ATOM 751 CB ILE B 17 -1.316 4.567 -18.135 1.00 0.00 C ATOM 752 CG1 ILE B 17 -2.303 3.492 -17.673 1.00 0.00 C ATOM 753 CG2 ILE B 17 -2.091 5.773 -18.667 1.00 0.00 C ATOM 754 CD1 ILE B 17 -2.052 3.168 -16.198 1.00 0.00 C ATOM 0 H ILE B 17 -0.084 2.512 -17.749 1.00 0.00 H new ATOM 0 HA ILE B 17 -0.944 3.962 -20.196 1.00 0.00 H new ATOM 0 HB ILE B 17 -0.695 4.875 -17.294 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -3.327 3.840 -17.811 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -2.188 2.593 -18.278 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -2.727 6.174 -17.878 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -1.390 6.541 -18.993 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -2.710 5.465 -19.510 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -2.755 2.403 -15.869 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -1.033 2.802 -16.074 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -2.190 4.068 -15.599 1.00 0.00 H new ATOM 766 N TYR B 18 0.612 6.112 -19.851 1.00 0.00 N ATOM 767 CA TYR B 18 1.773 7.024 -20.062 1.00 0.00 C ATOM 768 C TYR B 18 1.327 8.484 -19.951 1.00 0.00 C ATOM 769 O TYR B 18 1.395 9.237 -20.902 1.00 0.00 O ATOM 770 CB TYR B 18 2.264 6.719 -21.478 1.00 0.00 C ATOM 771 CG TYR B 18 3.770 6.615 -21.478 1.00 0.00 C ATOM 772 CD1 TYR B 18 4.423 5.900 -20.466 1.00 0.00 C ATOM 773 CD2 TYR B 18 4.515 7.234 -22.489 1.00 0.00 C ATOM 774 CE1 TYR B 18 5.819 5.804 -20.466 1.00 0.00 C ATOM 775 CE2 TYR B 18 5.911 7.137 -22.489 1.00 0.00 C ATOM 776 CZ TYR B 18 6.563 6.422 -21.478 1.00 0.00 C ATOM 777 OH TYR B 18 7.940 6.328 -21.477 1.00 0.00 O ATOM 0 H TYR B 18 -0.301 6.518 -20.053 1.00 0.00 H new ATOM 0 HA TYR B 18 2.556 6.875 -19.318 1.00 0.00 H new ATOM 0 HB2 TYR B 18 1.825 5.787 -21.834 1.00 0.00 H new ATOM 0 HB3 TYR B 18 1.943 7.504 -22.162 1.00 0.00 H new ATOM 0 HD1 TYR B 18 3.849 5.423 -19.686 1.00 0.00 H new ATOM 0 HD2 TYR B 18 4.012 7.786 -23.269 1.00 0.00 H new ATOM 0 HE1 TYR B 18 6.322 5.253 -19.685 1.00 0.00 H new ATOM 0 HE2 TYR B 18 6.485 7.614 -23.269 1.00 0.00 H new ATOM 0 HH TYR B 18 8.301 6.812 -22.249 1.00 0.00 H new ATOM 787 N LYS B 19 0.871 8.889 -18.797 1.00 0.00 N ATOM 788 CA LYS B 19 0.421 10.299 -18.627 1.00 0.00 C ATOM 789 C LYS B 19 0.636 10.752 -17.180 1.00 0.00 C ATOM 790 O LYS B 19 0.980 9.968 -16.319 1.00 0.00 O ATOM 791 CB LYS B 19 -1.070 10.284 -18.968 1.00 0.00 C ATOM 792 CG LYS B 19 -1.818 9.428 -17.944 1.00 0.00 C ATOM 793 CD LYS B 19 -3.120 10.129 -17.548 1.00 0.00 C ATOM 794 CE LYS B 19 -3.882 10.544 -18.810 1.00 0.00 C ATOM 795 NZ LYS B 19 -5.123 9.721 -18.797 1.00 0.00 N ATOM 0 H LYS B 19 0.791 8.304 -17.965 1.00 0.00 H new ATOM 0 HA LYS B 19 0.977 10.989 -19.262 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -1.465 11.300 -18.966 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -1.221 9.885 -19.971 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -2.034 8.446 -18.364 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -1.196 9.268 -17.063 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -3.734 9.463 -16.942 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -2.902 11.005 -16.937 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -4.114 11.609 -18.799 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -3.292 10.356 -19.707 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -5.699 9.949 -19.632 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -4.871 8.712 -18.815 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -5.667 9.927 -17.935 1.00 0.00 H new ATOM 809 N LYS B 20 0.434 12.013 -16.908 1.00 0.00 N ATOM 810 CA LYS B 20 0.625 12.518 -15.520 1.00 0.00 C ATOM 811 C LYS B 20 0.474 14.042 -15.488 1.00 0.00 C ATOM 812 O LYS B 20 1.282 14.767 -16.035 1.00 0.00 O ATOM 813 CB LYS B 20 2.049 12.110 -15.136 1.00 0.00 C ATOM 814 CG LYS B 20 2.504 12.914 -13.917 1.00 0.00 C ATOM 815 CD LYS B 20 3.982 12.631 -13.639 1.00 0.00 C ATOM 816 CE LYS B 20 4.106 11.702 -12.430 1.00 0.00 C ATOM 817 NZ LYS B 20 5.327 12.164 -11.715 1.00 0.00 N ATOM 0 H LYS B 20 0.145 12.715 -17.589 1.00 0.00 H new ATOM 0 HA LYS B 20 -0.112 12.110 -14.828 1.00 0.00 H new ATOM 0 HB2 LYS B 20 2.085 11.043 -14.914 1.00 0.00 H new ATOM 0 HB3 LYS B 20 2.726 12.285 -15.972 1.00 0.00 H new ATOM 0 HG2 LYS B 20 2.354 13.979 -14.094 1.00 0.00 H new ATOM 0 HG3 LYS B 20 1.902 12.648 -13.048 1.00 0.00 H new ATOM 0 HD2 LYS B 20 4.446 12.172 -14.512 1.00 0.00 H new ATOM 0 HD3 LYS B 20 4.512 13.564 -13.450 1.00 0.00 H new ATOM 0 HE2 LYS B 20 3.226 11.766 -11.790 1.00 0.00 H new ATOM 0 HE3 LYS B 20 4.200 10.661 -12.740 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 5.480 11.574 -10.872 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 6.150 12.085 -12.346 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 5.206 13.156 -11.427 1.00 0.00 H new ATOM 831 N ALA B 21 -0.554 14.533 -14.853 1.00 0.00 N ATOM 832 CA ALA B 21 -0.756 16.010 -14.786 1.00 0.00 C ATOM 833 C ALA B 21 -1.207 16.419 -13.383 1.00 0.00 C ATOM 834 O ALA B 21 -2.343 16.204 -13.007 1.00 0.00 O ATOM 835 CB ALA B 21 -1.852 16.305 -15.811 1.00 0.00 C ATOM 0 H ALA B 21 -1.264 13.976 -14.377 1.00 0.00 H new ATOM 0 HA ALA B 21 0.159 16.563 -14.997 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -2.060 17.375 -15.823 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -1.520 15.988 -16.800 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -2.758 15.762 -15.541 1.00 0.00 H new ATOM 841 N PRO B 22 -0.295 17.001 -12.653 1.00 0.00 N ATOM 842 CA PRO B 22 -0.595 17.451 -11.272 1.00 0.00 C ATOM 843 C PRO B 22 -1.487 18.695 -11.296 1.00 0.00 C ATOM 844 O PRO B 22 -1.141 19.730 -10.762 1.00 0.00 O ATOM 845 CB PRO B 22 0.779 17.778 -10.696 1.00 0.00 C ATOM 846 CG PRO B 22 1.634 18.088 -11.884 1.00 0.00 C ATOM 847 CD PRO B 22 1.089 17.291 -13.042 1.00 0.00 C ATOM 0 HA PRO B 22 -1.131 16.705 -10.685 1.00 0.00 H new ATOM 0 HB2 PRO B 22 0.729 18.627 -10.014 1.00 0.00 H new ATOM 0 HB3 PRO B 22 1.180 16.937 -10.130 1.00 0.00 H new ATOM 0 HG2 PRO B 22 1.612 19.155 -12.106 1.00 0.00 H new ATOM 0 HG3 PRO B 22 2.674 17.824 -11.690 1.00 0.00 H new ATOM 0 HD2 PRO B 22 1.132 17.858 -13.972 1.00 0.00 H new ATOM 0 HD3 PRO B 22 1.659 16.376 -13.200 1.00 0.00 H new ATOM 855 N THR B 23 -2.633 18.603 -11.915 1.00 0.00 N ATOM 856 CA THR B 23 -3.547 19.779 -11.977 1.00 0.00 C ATOM 857 C THR B 23 -3.593 20.486 -10.620 1.00 0.00 C ATOM 858 O THR B 23 -4.341 20.112 -9.739 1.00 0.00 O ATOM 859 CB THR B 23 -4.918 19.198 -12.325 1.00 0.00 C ATOM 860 OG1 THR B 23 -4.746 18.020 -13.102 1.00 0.00 O ATOM 861 CG2 THR B 23 -5.722 20.225 -13.122 1.00 0.00 C ATOM 0 H THR B 23 -2.976 17.763 -12.381 1.00 0.00 H new ATOM 0 HA THR B 23 -3.220 20.518 -12.709 1.00 0.00 H new ATOM 0 HB THR B 23 -5.454 18.954 -11.408 1.00 0.00 H new ATOM 0 HG1 THR B 23 -5.623 17.644 -13.325 1.00 0.00 H new ATOM 0 HG21 THR B 23 -6.699 19.810 -13.369 1.00 0.00 H new ATOM 0 HG22 THR B 23 -5.852 21.128 -12.525 1.00 0.00 H new ATOM 0 HG23 THR B 23 -5.189 20.471 -14.041 1.00 0.00 H new ATOM 869 N ASN B 24 -2.798 21.507 -10.444 1.00 0.00 N ATOM 870 CA ASN B 24 -2.798 22.237 -9.144 1.00 0.00 C ATOM 871 C ASN B 24 -3.588 23.541 -9.269 1.00 0.00 C ATOM 872 O ASN B 24 -3.414 24.297 -10.205 1.00 0.00 O ATOM 873 CB ASN B 24 -1.326 22.527 -8.854 1.00 0.00 C ATOM 874 CG ASN B 24 -0.828 21.593 -7.749 1.00 0.00 C ATOM 875 OD1 ASN B 24 -1.010 21.867 -6.579 1.00 0.00 O ATOM 876 ND2 ASN B 24 -0.203 20.494 -8.072 1.00 0.00 N ATOM 0 H ASN B 24 -2.149 21.867 -11.144 1.00 0.00 H new ATOM 0 HA ASN B 24 -3.265 21.660 -8.346 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -0.732 22.387 -9.757 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -1.203 23.566 -8.549 1.00 0.00 H new ATOM 0 HD21 ASN B 24 0.133 19.865 -7.343 1.00 0.00 H new ATOM 0 HD22 ASN B 24 -0.050 20.264 -9.054 1.00 0.00 H new ATOM 883 N GLU B 25 -4.456 23.813 -8.333 1.00 0.00 N ATOM 884 CA GLU B 25 -5.257 25.069 -8.400 1.00 0.00 C ATOM 885 C GLU B 25 -6.012 25.286 -7.086 1.00 0.00 C ATOM 886 O GLU B 25 -7.087 25.851 -7.062 1.00 0.00 O ATOM 887 CB GLU B 25 -6.237 24.853 -9.553 1.00 0.00 C ATOM 888 CG GLU B 25 -7.177 23.695 -9.214 1.00 0.00 C ATOM 889 CD GLU B 25 -8.594 24.032 -9.683 1.00 0.00 C ATOM 890 OE1 GLU B 25 -8.724 24.586 -10.761 1.00 0.00 O ATOM 891 OE2 GLU B 25 -9.525 23.731 -8.954 1.00 0.00 O ATOM 0 H GLU B 25 -4.645 23.220 -7.525 1.00 0.00 H new ATOM 0 HA GLU B 25 -4.633 25.949 -8.556 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -6.812 25.762 -9.731 1.00 0.00 H new ATOM 0 HB3 GLU B 25 -5.692 24.636 -10.472 1.00 0.00 H new ATOM 0 HG2 GLU B 25 -6.832 22.780 -9.695 1.00 0.00 H new ATOM 0 HG3 GLU B 25 -7.172 23.512 -8.140 1.00 0.00 H new ATOM 898 N PHE B 26 -5.457 24.841 -5.992 1.00 0.00 N ATOM 899 CA PHE B 26 -6.144 25.022 -4.680 1.00 0.00 C ATOM 900 C PHE B 26 -6.085 26.491 -4.251 1.00 0.00 C ATOM 901 O PHE B 26 -5.623 27.343 -4.983 1.00 0.00 O ATOM 902 CB PHE B 26 -5.364 24.145 -3.700 1.00 0.00 C ATOM 903 CG PHE B 26 -6.284 23.681 -2.597 1.00 0.00 C ATOM 904 CD1 PHE B 26 -7.509 23.080 -2.912 1.00 0.00 C ATOM 905 CD2 PHE B 26 -5.914 23.854 -1.258 1.00 0.00 C ATOM 906 CE1 PHE B 26 -8.361 22.650 -1.889 1.00 0.00 C ATOM 907 CE2 PHE B 26 -6.767 23.424 -0.234 1.00 0.00 C ATOM 908 CZ PHE B 26 -7.991 22.822 -0.550 1.00 0.00 C ATOM 0 H PHE B 26 -4.558 24.360 -5.949 1.00 0.00 H new ATOM 0 HA PHE B 26 -7.198 24.746 -4.724 1.00 0.00 H new ATOM 0 HB2 PHE B 26 -4.942 23.286 -4.221 1.00 0.00 H new ATOM 0 HB3 PHE B 26 -4.529 24.705 -3.280 1.00 0.00 H new ATOM 0 HD1 PHE B 26 -7.796 22.948 -3.945 1.00 0.00 H new ATOM 0 HD2 PHE B 26 -4.970 24.319 -1.015 1.00 0.00 H new ATOM 0 HE1 PHE B 26 -9.305 22.185 -2.133 1.00 0.00 H new ATOM 0 HE2 PHE B 26 -6.481 23.557 0.799 1.00 0.00 H new ATOM 0 HZ PHE B 26 -8.650 22.490 0.239 1.00 0.00 H new ATOM 918 N TYR B 27 -6.550 26.792 -3.068 1.00 0.00 N ATOM 919 CA TYR B 27 -6.520 28.205 -2.594 1.00 0.00 C ATOM 920 C TYR B 27 -5.936 28.276 -1.181 1.00 0.00 C ATOM 921 O TYR B 27 -4.820 28.714 -0.980 1.00 0.00 O ATOM 922 CB TYR B 27 -7.981 28.653 -2.593 1.00 0.00 C ATOM 923 CG TYR B 27 -8.112 29.946 -1.823 1.00 0.00 C ATOM 924 CD1 TYR B 27 -7.246 31.011 -2.094 1.00 0.00 C ATOM 925 CD2 TYR B 27 -9.099 30.078 -0.839 1.00 0.00 C ATOM 926 CE1 TYR B 27 -7.367 32.210 -1.380 1.00 0.00 C ATOM 927 CE2 TYR B 27 -9.218 31.276 -0.125 1.00 0.00 C ATOM 928 CZ TYR B 27 -8.353 32.342 -0.396 1.00 0.00 C ATOM 929 OH TYR B 27 -8.472 33.524 0.308 1.00 0.00 O ATOM 0 H TYR B 27 -6.949 26.121 -2.411 1.00 0.00 H new ATOM 0 HA TYR B 27 -5.899 28.840 -3.226 1.00 0.00 H new ATOM 0 HB2 TYR B 27 -8.331 28.790 -3.616 1.00 0.00 H new ATOM 0 HB3 TYR B 27 -8.608 27.884 -2.142 1.00 0.00 H new ATOM 0 HD1 TYR B 27 -6.485 30.909 -2.853 1.00 0.00 H new ATOM 0 HD2 TYR B 27 -9.768 29.256 -0.631 1.00 0.00 H new ATOM 0 HE1 TYR B 27 -6.699 33.033 -1.589 1.00 0.00 H new ATOM 0 HE2 TYR B 27 -9.978 31.378 0.636 1.00 0.00 H new ATOM 0 HH TYR B 27 -9.207 33.448 0.952 1.00 0.00 H new ATOM 939 N ALA B 28 -6.680 27.847 -0.198 1.00 0.00 N ATOM 940 CA ALA B 28 -6.167 27.890 1.201 1.00 0.00 C ATOM 941 C ALA B 28 -6.963 26.927 2.086 1.00 0.00 C ATOM 942 O ALA B 28 -6.688 25.740 2.032 1.00 0.00 O ATOM 943 CB ALA B 28 -6.376 29.335 1.656 1.00 0.00 C ATOM 944 OXT ALA B 28 -7.832 27.394 2.803 1.00 0.00 O ATOM 0 H ALA B 28 -7.621 27.468 -0.303 1.00 0.00 H new ATOM 0 HA ALA B 28 -5.121 27.590 1.267 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -6.022 29.449 2.681 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -5.819 30.006 1.003 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -7.437 29.581 1.609 1.00 0.00 H new TER 950 ALA B 28