USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 403 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 6 CYS SG : rot 157:sc= 0.0577 USER MOD Set 1.2: A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -111:sc= 0.0998 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -150:sc= 0 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 116:sc= -0.779 USER MOD Single : A 13 TYR OH : rot 124:sc= 0.0449 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 85:sc= 0.54 USER MOD Single : A 32 GLN : amide:sc= -0.0679 X(o=-0.068,f=-0.045) USER MOD Single : A 38 CYS SG : rot 39:sc= 0.0402 USER MOD Single : A 39 CYS SG : rot 83:sc= -0.544 USER MOD Single : A 42 CYS SG : rot 9:sc= 0.656 USER MOD Single : A 43 SER OG : rot 89:sc= 0.699 USER MOD Single : A 47 LYS NZ :NH3+ 166:sc= -0.142 (180deg=-0.541) USER MOD Single : A 53 MET CE :methyl -136:sc= -0.927 (180deg=-3.15!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.977 -2.215 0.510 1.00 0.00 N ATOM 2 CA MET A 1 1.657 -2.326 -0.775 1.00 0.00 C ATOM 3 C MET A 1 2.989 -3.053 -0.625 1.00 0.00 C ATOM 4 O MET A 1 3.549 -3.124 0.470 1.00 0.00 O ATOM 5 CB MET A 1 1.885 -0.938 -1.377 1.00 0.00 C ATOM 6 CG MET A 1 0.606 -0.261 -1.845 1.00 0.00 C ATOM 7 SD MET A 1 0.923 1.185 -2.875 1.00 0.00 S ATOM 8 CE MET A 1 0.487 0.549 -4.492 1.00 0.00 C ATOM 0 H1 MET A 1 0.130 -2.819 0.508 1.00 0.00 H new ATOM 0 H2 MET A 1 1.618 -2.521 1.270 1.00 0.00 H new ATOM 0 H3 MET A 1 0.697 -1.226 0.670 1.00 0.00 H new ATOM 0 HA MET A 1 1.021 -2.905 -1.445 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.371 -0.305 -0.635 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.570 -1.025 -2.220 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.005 -0.977 -2.405 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.019 0.038 -0.977 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.630 1.329 -5.240 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.122 -0.304 -4.731 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.557 0.235 -4.490 1.00 0.00 H new ATOM 18 N THR A 2 3.493 -3.592 -1.731 1.00 0.00 N ATOM 19 CA THR A 2 4.759 -4.314 -1.721 1.00 0.00 C ATOM 20 C THR A 2 5.925 -3.384 -2.035 1.00 0.00 C ATOM 21 O THR A 2 5.799 -2.466 -2.845 1.00 0.00 O ATOM 22 CB THR A 2 4.752 -5.472 -2.736 1.00 0.00 C ATOM 23 OG1 THR A 2 3.732 -6.417 -2.395 1.00 0.00 O ATOM 24 CG2 THR A 2 6.104 -6.169 -2.771 1.00 0.00 C ATOM 0 H THR A 2 3.043 -3.542 -2.645 1.00 0.00 H new ATOM 0 HA THR A 2 4.883 -4.721 -0.717 1.00 0.00 H new ATOM 0 HB THR A 2 4.548 -5.058 -3.724 1.00 0.00 H new ATOM 0 HG1 THR A 2 4.004 -7.312 -2.688 1.00 0.00 H new ATOM 0 HG21 THR A 2 6.075 -6.983 -3.495 1.00 0.00 H new ATOM 0 HG22 THR A 2 6.875 -5.454 -3.060 1.00 0.00 H new ATOM 0 HG23 THR A 2 6.332 -6.570 -1.783 1.00 0.00 H new ATOM 32 N ALA A 3 7.061 -3.628 -1.390 1.00 0.00 N ATOM 33 CA ALA A 3 8.251 -2.814 -1.603 1.00 0.00 C ATOM 34 C ALA A 3 9.521 -3.630 -1.388 1.00 0.00 C ATOM 35 O ALA A 3 9.784 -4.107 -0.284 1.00 0.00 O ATOM 36 CB ALA A 3 8.236 -1.605 -0.679 1.00 0.00 C ATOM 0 H ALA A 3 7.182 -4.383 -0.715 1.00 0.00 H new ATOM 0 HA ALA A 3 8.243 -2.468 -2.637 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.131 -1.006 -0.849 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.351 -1.002 -0.883 1.00 0.00 H new ATOM 0 HB3 ALA A 3 8.215 -1.940 0.358 1.00 0.00 H new ATOM 42 N TYR A 4 10.303 -3.788 -2.449 1.00 0.00 N ATOM 43 CA TYR A 4 11.544 -4.550 -2.377 1.00 0.00 C ATOM 44 C TYR A 4 12.752 -3.647 -2.606 1.00 0.00 C ATOM 45 O TYR A 4 12.749 -2.803 -3.502 1.00 0.00 O ATOM 46 CB TYR A 4 11.535 -5.679 -3.410 1.00 0.00 C ATOM 47 CG TYR A 4 10.757 -6.898 -2.967 1.00 0.00 C ATOM 48 CD1 TYR A 4 11.368 -7.907 -2.233 1.00 0.00 C ATOM 49 CD2 TYR A 4 9.411 -7.040 -3.282 1.00 0.00 C ATOM 50 CE1 TYR A 4 10.661 -9.023 -1.827 1.00 0.00 C ATOM 51 CE2 TYR A 4 8.697 -8.151 -2.879 1.00 0.00 C ATOM 52 CZ TYR A 4 9.326 -9.140 -2.152 1.00 0.00 C ATOM 53 OH TYR A 4 8.619 -10.249 -1.749 1.00 0.00 O ATOM 0 H TYR A 4 10.100 -3.399 -3.370 1.00 0.00 H new ATOM 0 HA TYR A 4 11.618 -4.980 -1.378 1.00 0.00 H new ATOM 0 HB2 TYR A 4 11.109 -5.305 -4.341 1.00 0.00 H new ATOM 0 HB3 TYR A 4 12.563 -5.972 -3.625 1.00 0.00 H new ATOM 0 HD1 TYR A 4 12.413 -7.818 -1.975 1.00 0.00 H new ATOM 0 HD2 TYR A 4 8.915 -6.268 -3.852 1.00 0.00 H new ATOM 0 HE1 TYR A 4 11.151 -9.799 -1.258 1.00 0.00 H new ATOM 0 HE2 TYR A 4 7.651 -8.245 -3.132 1.00 0.00 H new ATOM 0 HH TYR A 4 7.692 -10.176 -2.058 1.00 0.00 H new ATOM 63 N ARG A 5 13.784 -3.832 -1.789 1.00 0.00 N ATOM 64 CA ARG A 5 14.999 -3.034 -1.900 1.00 0.00 C ATOM 65 C ARG A 5 16.239 -3.901 -1.700 1.00 0.00 C ATOM 66 O ARG A 5 16.584 -4.258 -0.573 1.00 0.00 O ATOM 67 CB ARG A 5 14.986 -1.900 -0.874 1.00 0.00 C ATOM 68 CG ARG A 5 16.268 -1.083 -0.853 1.00 0.00 C ATOM 69 CD ARG A 5 16.039 0.327 -1.375 1.00 0.00 C ATOM 70 NE ARG A 5 16.836 1.314 -0.653 1.00 0.00 N ATOM 71 CZ ARG A 5 16.501 1.803 0.536 1.00 0.00 C ATOM 72 NH1 ARG A 5 15.389 1.398 1.134 1.00 0.00 N ATOM 73 NH2 ARG A 5 17.279 2.699 1.130 1.00 0.00 N ATOM 0 H ARG A 5 13.803 -4.527 -1.043 1.00 0.00 H new ATOM 0 HA ARG A 5 15.033 -2.607 -2.902 1.00 0.00 H new ATOM 0 HB2 ARG A 5 14.147 -1.238 -1.087 1.00 0.00 H new ATOM 0 HB3 ARG A 5 14.817 -2.320 0.117 1.00 0.00 H new ATOM 0 HG2 ARG A 5 16.655 -1.037 0.165 1.00 0.00 H new ATOM 0 HG3 ARG A 5 17.026 -1.578 -1.460 1.00 0.00 H new ATOM 0 HD2 ARG A 5 16.288 0.366 -2.435 1.00 0.00 H new ATOM 0 HD3 ARG A 5 14.982 0.579 -1.286 1.00 0.00 H new ATOM 0 HE ARG A 5 17.698 1.647 -1.085 1.00 0.00 H new ATOM 0 HH11 ARG A 5 14.788 0.709 0.681 1.00 0.00 H new ATOM 0 HH12 ARG A 5 15.134 1.775 2.047 1.00 0.00 H new ATOM 0 HH21 ARG A 5 18.135 3.013 0.674 1.00 0.00 H new ATOM 0 HH22 ARG A 5 17.021 3.074 2.043 1.00 0.00 H new ATOM 87 N CYS A 6 16.903 -4.237 -2.801 1.00 0.00 N ATOM 88 CA CYS A 6 18.104 -5.063 -2.747 1.00 0.00 C ATOM 89 C CYS A 6 19.011 -4.783 -3.941 1.00 0.00 C ATOM 90 O CYS A 6 18.942 -5.449 -4.974 1.00 0.00 O ATOM 91 CB CYS A 6 17.727 -6.545 -2.713 1.00 0.00 C ATOM 92 SG CYS A 6 18.852 -7.571 -1.738 1.00 0.00 S ATOM 0 H CYS A 6 16.630 -3.950 -3.741 1.00 0.00 H new ATOM 0 HA CYS A 6 18.647 -4.813 -1.836 1.00 0.00 H new ATOM 0 HB2 CYS A 6 16.720 -6.643 -2.308 1.00 0.00 H new ATOM 0 HB3 CYS A 6 17.699 -6.925 -3.734 1.00 0.00 H new ATOM 0 HG CYS A 6 18.233 -8.647 -1.352 1.00 0.00 H new ATOM 98 N PRO A 7 19.881 -3.772 -3.798 1.00 0.00 N ATOM 99 CA PRO A 7 20.818 -3.380 -4.855 1.00 0.00 C ATOM 100 C PRO A 7 21.911 -4.420 -5.077 1.00 0.00 C ATOM 101 O PRO A 7 22.622 -4.384 -6.081 1.00 0.00 O ATOM 102 CB PRO A 7 21.421 -2.075 -4.329 1.00 0.00 C ATOM 103 CG PRO A 7 21.285 -2.166 -2.848 1.00 0.00 C ATOM 104 CD PRO A 7 20.019 -2.936 -2.595 1.00 0.00 C ATOM 0 HA PRO A 7 20.323 -3.278 -5.821 1.00 0.00 H new ATOM 0 HB2 PRO A 7 22.465 -1.973 -4.625 1.00 0.00 H new ATOM 0 HB3 PRO A 7 20.892 -1.207 -4.723 1.00 0.00 H new ATOM 0 HG2 PRO A 7 22.144 -2.672 -2.408 1.00 0.00 H new ATOM 0 HG3 PRO A 7 21.235 -1.174 -2.399 1.00 0.00 H new ATOM 0 HD2 PRO A 7 20.091 -3.541 -1.691 1.00 0.00 H new ATOM 0 HD3 PRO A 7 19.164 -2.272 -2.467 1.00 0.00 H new ATOM 112 N VAL A 8 22.039 -5.347 -4.133 1.00 0.00 N ATOM 113 CA VAL A 8 23.045 -6.399 -4.226 1.00 0.00 C ATOM 114 C VAL A 8 22.844 -7.242 -5.481 1.00 0.00 C ATOM 115 O VAL A 8 23.765 -7.919 -5.939 1.00 0.00 O ATOM 116 CB VAL A 8 23.010 -7.319 -2.992 1.00 0.00 C ATOM 117 CG1 VAL A 8 24.077 -8.398 -3.100 1.00 0.00 C ATOM 118 CG2 VAL A 8 23.188 -6.508 -1.717 1.00 0.00 C ATOM 0 H VAL A 8 21.459 -5.391 -3.295 1.00 0.00 H new ATOM 0 HA VAL A 8 24.016 -5.906 -4.275 1.00 0.00 H new ATOM 0 HB VAL A 8 22.036 -7.807 -2.952 1.00 0.00 H new ATOM 0 HG11 VAL A 8 24.037 -9.039 -2.219 1.00 0.00 H new ATOM 0 HG12 VAL A 8 23.899 -8.997 -3.993 1.00 0.00 H new ATOM 0 HG13 VAL A 8 25.060 -7.932 -3.166 1.00 0.00 H new ATOM 0 HG21 VAL A 8 23.161 -7.175 -0.855 1.00 0.00 H new ATOM 0 HG22 VAL A 8 24.147 -5.991 -1.746 1.00 0.00 H new ATOM 0 HG23 VAL A 8 22.384 -5.777 -1.636 1.00 0.00 H new ATOM 128 N CYS A 9 21.637 -7.194 -6.032 1.00 0.00 N ATOM 129 CA CYS A 9 21.314 -7.954 -7.234 1.00 0.00 C ATOM 130 C CYS A 9 20.940 -7.022 -8.382 1.00 0.00 C ATOM 131 O CYS A 9 21.552 -7.059 -9.450 1.00 0.00 O ATOM 132 CB CYS A 9 20.167 -8.926 -6.956 1.00 0.00 C ATOM 133 SG CYS A 9 20.130 -9.559 -5.263 1.00 0.00 S ATOM 0 H CYS A 9 20.865 -6.637 -5.666 1.00 0.00 H new ATOM 0 HA CYS A 9 22.198 -8.521 -7.524 1.00 0.00 H new ATOM 0 HB2 CYS A 9 19.222 -8.425 -7.166 1.00 0.00 H new ATOM 0 HB3 CYS A 9 20.242 -9.767 -7.645 1.00 0.00 H new ATOM 0 HG CYS A 9 19.124 -10.371 -5.125 1.00 0.00 H new ATOM 139 N ASP A 10 19.931 -6.188 -8.155 1.00 0.00 N ATOM 140 CA ASP A 10 19.475 -5.246 -9.170 1.00 0.00 C ATOM 141 C ASP A 10 18.875 -4.000 -8.526 1.00 0.00 C ATOM 142 O ASP A 10 18.514 -4.010 -7.349 1.00 0.00 O ATOM 143 CB ASP A 10 18.443 -5.909 -10.084 1.00 0.00 C ATOM 144 CG ASP A 10 17.183 -6.308 -9.341 1.00 0.00 C ATOM 145 OD1 ASP A 10 16.404 -5.407 -8.969 1.00 0.00 O ATOM 146 OD2 ASP A 10 16.977 -7.522 -9.131 1.00 0.00 O ATOM 0 H ASP A 10 19.413 -6.145 -7.277 1.00 0.00 H new ATOM 0 HA ASP A 10 20.338 -4.946 -9.765 1.00 0.00 H new ATOM 0 HB2 ASP A 10 18.184 -5.224 -10.891 1.00 0.00 H new ATOM 0 HB3 ASP A 10 18.885 -6.792 -10.545 1.00 0.00 H new ATOM 151 N TYR A 11 18.773 -2.928 -9.304 1.00 0.00 N ATOM 152 CA TYR A 11 18.221 -1.673 -8.808 1.00 0.00 C ATOM 153 C TYR A 11 16.931 -1.916 -8.030 1.00 0.00 C ATOM 154 O TYR A 11 16.262 -2.933 -8.214 1.00 0.00 O ATOM 155 CB TYR A 11 17.957 -0.714 -9.969 1.00 0.00 C ATOM 156 CG TYR A 11 19.198 -0.006 -10.465 1.00 0.00 C ATOM 157 CD1 TYR A 11 19.834 0.952 -9.685 1.00 0.00 C ATOM 158 CD2 TYR A 11 19.736 -0.298 -11.712 1.00 0.00 C ATOM 159 CE1 TYR A 11 20.967 1.601 -10.134 1.00 0.00 C ATOM 160 CE2 TYR A 11 20.871 0.345 -12.169 1.00 0.00 C ATOM 161 CZ TYR A 11 21.482 1.294 -11.376 1.00 0.00 C ATOM 162 OH TYR A 11 22.612 1.938 -11.827 1.00 0.00 O ATOM 0 H TYR A 11 19.065 -2.903 -10.281 1.00 0.00 H new ATOM 0 HA TYR A 11 18.951 -1.224 -8.134 1.00 0.00 H new ATOM 0 HB2 TYR A 11 17.512 -1.270 -10.794 1.00 0.00 H new ATOM 0 HB3 TYR A 11 17.225 0.030 -9.655 1.00 0.00 H new ATOM 0 HD1 TYR A 11 19.435 1.193 -8.711 1.00 0.00 H new ATOM 0 HD2 TYR A 11 19.259 -1.040 -12.335 1.00 0.00 H new ATOM 0 HE1 TYR A 11 21.447 2.345 -9.516 1.00 0.00 H new ATOM 0 HE2 TYR A 11 21.277 0.106 -13.141 1.00 0.00 H new ATOM 0 HH TYR A 11 22.844 1.605 -12.719 1.00 0.00 H new ATOM 172 N THR A 12 16.587 -0.972 -7.159 1.00 0.00 N ATOM 173 CA THR A 12 15.378 -1.081 -6.352 1.00 0.00 C ATOM 174 C THR A 12 14.305 -0.112 -6.836 1.00 0.00 C ATOM 175 O THR A 12 14.584 1.057 -7.100 1.00 0.00 O ATOM 176 CB THR A 12 15.669 -0.805 -4.865 1.00 0.00 C ATOM 177 OG1 THR A 12 15.796 0.603 -4.643 1.00 0.00 O ATOM 178 CG2 THR A 12 16.943 -1.510 -4.423 1.00 0.00 C ATOM 0 H THR A 12 17.129 -0.124 -6.995 1.00 0.00 H new ATOM 0 HA THR A 12 15.016 -2.104 -6.461 1.00 0.00 H new ATOM 0 HB THR A 12 14.836 -1.191 -4.277 1.00 0.00 H new ATOM 0 HG1 THR A 12 15.077 0.907 -4.050 1.00 0.00 H new ATOM 0 HG21 THR A 12 17.128 -1.300 -3.369 1.00 0.00 H new ATOM 0 HG22 THR A 12 16.832 -2.585 -4.565 1.00 0.00 H new ATOM 0 HG23 THR A 12 17.783 -1.150 -5.017 1.00 0.00 H new ATOM 186 N TYR A 13 13.077 -0.606 -6.949 1.00 0.00 N ATOM 187 CA TYR A 13 11.962 0.216 -7.403 1.00 0.00 C ATOM 188 C TYR A 13 10.656 -0.230 -6.751 1.00 0.00 C ATOM 189 O TYR A 13 10.123 -1.293 -7.068 1.00 0.00 O ATOM 190 CB TYR A 13 11.835 0.145 -8.925 1.00 0.00 C ATOM 191 CG TYR A 13 13.063 0.637 -9.658 1.00 0.00 C ATOM 192 CD1 TYR A 13 13.440 1.973 -9.602 1.00 0.00 C ATOM 193 CD2 TYR A 13 13.844 -0.233 -10.408 1.00 0.00 C ATOM 194 CE1 TYR A 13 14.561 2.428 -10.271 1.00 0.00 C ATOM 195 CE2 TYR A 13 14.967 0.212 -11.079 1.00 0.00 C ATOM 196 CZ TYR A 13 15.321 1.543 -11.007 1.00 0.00 C ATOM 197 OH TYR A 13 16.438 1.991 -11.675 1.00 0.00 O ATOM 0 H TYR A 13 12.829 -1.571 -6.732 1.00 0.00 H new ATOM 0 HA TYR A 13 12.161 1.247 -7.110 1.00 0.00 H new ATOM 0 HB2 TYR A 13 11.636 -0.886 -9.217 1.00 0.00 H new ATOM 0 HB3 TYR A 13 10.974 0.736 -9.238 1.00 0.00 H new ATOM 0 HD1 TYR A 13 12.847 2.668 -9.026 1.00 0.00 H new ATOM 0 HD2 TYR A 13 13.569 -1.276 -10.468 1.00 0.00 H new ATOM 0 HE1 TYR A 13 14.840 3.470 -10.218 1.00 0.00 H new ATOM 0 HE2 TYR A 13 15.564 -0.478 -11.656 1.00 0.00 H new ATOM 0 HH TYR A 13 17.219 1.469 -11.394 1.00 0.00 H new ATOM 207 N ASP A 14 10.146 0.592 -5.841 1.00 0.00 N ATOM 208 CA ASP A 14 8.902 0.285 -5.145 1.00 0.00 C ATOM 209 C ASP A 14 7.710 0.394 -6.090 1.00 0.00 C ATOM 210 O ASP A 14 7.754 1.127 -7.077 1.00 0.00 O ATOM 211 CB ASP A 14 8.713 1.227 -3.954 1.00 0.00 C ATOM 212 CG ASP A 14 7.414 0.972 -3.215 1.00 0.00 C ATOM 213 OD1 ASP A 14 7.071 -0.211 -3.010 1.00 0.00 O ATOM 214 OD2 ASP A 14 6.740 1.955 -2.843 1.00 0.00 O ATOM 0 H ASP A 14 10.575 1.476 -5.568 1.00 0.00 H new ATOM 0 HA ASP A 14 8.961 -0.741 -4.781 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.549 1.109 -3.265 1.00 0.00 H new ATOM 0 HB3 ASP A 14 8.732 2.259 -4.304 1.00 0.00 H new ATOM 219 N GLU A 15 6.647 -0.342 -5.780 1.00 0.00 N ATOM 220 CA GLU A 15 5.443 -0.328 -6.604 1.00 0.00 C ATOM 221 C GLU A 15 4.948 1.098 -6.820 1.00 0.00 C ATOM 222 O GLU A 15 4.548 1.468 -7.923 1.00 0.00 O ATOM 223 CB GLU A 15 4.343 -1.169 -5.952 1.00 0.00 C ATOM 224 CG GLU A 15 4.579 -2.667 -6.057 1.00 0.00 C ATOM 225 CD GLU A 15 3.419 -3.479 -5.515 1.00 0.00 C ATOM 226 OE1 GLU A 15 2.894 -3.121 -4.440 1.00 0.00 O ATOM 227 OE2 GLU A 15 3.036 -4.473 -6.168 1.00 0.00 O ATOM 0 H GLU A 15 6.595 -0.954 -4.966 1.00 0.00 H new ATOM 0 HA GLU A 15 5.692 -0.758 -7.574 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.263 -0.895 -4.900 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.388 -0.927 -6.418 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.747 -2.932 -7.101 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.486 -2.927 -5.512 1.00 0.00 H new ATOM 234 N GLY A 16 4.977 1.896 -5.756 1.00 0.00 N ATOM 235 CA GLY A 16 4.527 3.273 -5.850 1.00 0.00 C ATOM 236 C GLY A 16 5.639 4.220 -6.256 1.00 0.00 C ATOM 237 O GLY A 16 5.495 5.438 -6.159 1.00 0.00 O ATOM 0 H GLY A 16 5.304 1.614 -4.832 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.716 3.338 -6.575 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.121 3.586 -4.888 1.00 0.00 H new ATOM 241 N LYS A 17 6.754 3.659 -6.713 1.00 0.00 N ATOM 242 CA LYS A 17 7.897 4.460 -7.136 1.00 0.00 C ATOM 243 C LYS A 17 7.766 4.863 -8.601 1.00 0.00 C ATOM 244 O LYS A 17 7.936 6.030 -8.952 1.00 0.00 O ATOM 245 CB LYS A 17 9.198 3.683 -6.923 1.00 0.00 C ATOM 246 CG LYS A 17 10.373 4.560 -6.529 1.00 0.00 C ATOM 247 CD LYS A 17 10.299 4.969 -5.068 1.00 0.00 C ATOM 248 CE LYS A 17 11.507 5.797 -4.659 1.00 0.00 C ATOM 249 NZ LYS A 17 11.486 6.129 -3.207 1.00 0.00 N ATOM 0 H LYS A 17 6.890 2.652 -6.800 1.00 0.00 H new ATOM 0 HA LYS A 17 7.919 5.365 -6.529 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.040 2.932 -6.149 1.00 0.00 H new ATOM 0 HB3 LYS A 17 9.446 3.148 -7.840 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.305 4.025 -6.711 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.390 5.451 -7.157 1.00 0.00 H new ATOM 0 HD2 LYS A 17 9.388 5.542 -4.895 1.00 0.00 H new ATOM 0 HD3 LYS A 17 10.238 4.078 -4.442 1.00 0.00 H new ATOM 0 HE2 LYS A 17 12.419 5.248 -4.893 1.00 0.00 H new ATOM 0 HE3 LYS A 17 11.530 6.718 -5.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 12.326 6.694 -2.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.628 6.674 -2.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 11.489 5.251 -2.650 1.00 0.00 H new ATOM 263 N GLY A 18 7.462 3.888 -9.453 1.00 0.00 N ATOM 264 CA GLY A 18 7.312 4.162 -10.871 1.00 0.00 C ATOM 265 C GLY A 18 8.601 3.951 -11.641 1.00 0.00 C ATOM 266 O GLY A 18 8.889 2.841 -12.089 1.00 0.00 O ATOM 0 H GLY A 18 7.317 2.914 -9.187 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.536 3.516 -11.283 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.976 5.190 -11.006 1.00 0.00 H new ATOM 270 N ASP A 19 9.376 5.018 -11.797 1.00 0.00 N ATOM 271 CA ASP A 19 10.641 4.945 -12.520 1.00 0.00 C ATOM 272 C ASP A 19 10.418 4.501 -13.962 1.00 0.00 C ATOM 273 O ASP A 19 10.713 3.368 -14.342 1.00 0.00 O ATOM 274 CB ASP A 19 11.598 3.979 -11.819 1.00 0.00 C ATOM 275 CG ASP A 19 12.476 4.675 -10.796 1.00 0.00 C ATOM 276 OD1 ASP A 19 13.567 5.150 -11.176 1.00 0.00 O ATOM 277 OD2 ASP A 19 12.071 4.745 -9.617 1.00 0.00 O ATOM 0 H ASP A 19 9.151 5.944 -11.433 1.00 0.00 H new ATOM 0 HA ASP A 19 11.084 5.941 -12.530 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.022 3.195 -11.327 1.00 0.00 H new ATOM 0 HB3 ASP A 19 12.228 3.492 -12.563 1.00 0.00 H new ATOM 282 N PRO A 20 9.883 5.414 -14.786 1.00 0.00 N ATOM 283 CA PRO A 20 9.608 5.140 -16.200 1.00 0.00 C ATOM 284 C PRO A 20 10.884 5.001 -17.023 1.00 0.00 C ATOM 285 O PRO A 20 10.858 4.500 -18.147 1.00 0.00 O ATOM 286 CB PRO A 20 8.812 6.367 -16.651 1.00 0.00 C ATOM 287 CG PRO A 20 9.230 7.453 -15.720 1.00 0.00 C ATOM 288 CD PRO A 20 9.507 6.785 -14.402 1.00 0.00 C ATOM 0 HA PRO A 20 9.078 4.197 -16.336 1.00 0.00 H new ATOM 0 HB2 PRO A 20 9.035 6.625 -17.686 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.739 6.186 -16.592 1.00 0.00 H new ATOM 0 HG2 PRO A 20 10.117 7.966 -16.092 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.446 8.204 -15.620 1.00 0.00 H new ATOM 0 HD2 PRO A 20 10.309 7.285 -13.859 1.00 0.00 H new ATOM 0 HD3 PRO A 20 8.630 6.795 -13.755 1.00 0.00 H new ATOM 296 N ARG A 21 12.000 5.448 -16.455 1.00 0.00 N ATOM 297 CA ARG A 21 13.287 5.375 -17.137 1.00 0.00 C ATOM 298 C ARG A 21 13.696 3.923 -17.371 1.00 0.00 C ATOM 299 O ARG A 21 14.478 3.627 -18.273 1.00 0.00 O ATOM 300 CB ARG A 21 14.362 6.094 -16.322 1.00 0.00 C ATOM 301 CG ARG A 21 14.473 7.577 -16.634 1.00 0.00 C ATOM 302 CD ARG A 21 13.221 8.330 -16.213 1.00 0.00 C ATOM 303 NE ARG A 21 13.468 9.761 -16.059 1.00 0.00 N ATOM 304 CZ ARG A 21 14.057 10.295 -14.994 1.00 0.00 C ATOM 305 NH1 ARG A 21 14.456 9.519 -13.995 1.00 0.00 N ATOM 306 NH2 ARG A 21 14.247 11.606 -14.927 1.00 0.00 N ATOM 0 H ARG A 21 12.039 5.864 -15.525 1.00 0.00 H new ATOM 0 HA ARG A 21 13.186 5.867 -18.104 1.00 0.00 H new ATOM 0 HB2 ARG A 21 14.145 5.970 -15.261 1.00 0.00 H new ATOM 0 HB3 ARG A 21 15.325 5.619 -16.508 1.00 0.00 H new ATOM 0 HG2 ARG A 21 15.340 7.994 -16.121 1.00 0.00 H new ATOM 0 HG3 ARG A 21 14.639 7.714 -17.703 1.00 0.00 H new ATOM 0 HD2 ARG A 21 12.438 8.175 -16.956 1.00 0.00 H new ATOM 0 HD3 ARG A 21 12.852 7.923 -15.272 1.00 0.00 H new ATOM 0 HE ARG A 21 13.172 10.385 -16.810 1.00 0.00 H new ATOM 0 HH11 ARG A 21 14.311 8.511 -14.043 1.00 0.00 H new ATOM 0 HH12 ARG A 21 14.908 9.931 -13.179 1.00 0.00 H new ATOM 0 HH21 ARG A 21 13.941 12.206 -15.693 1.00 0.00 H new ATOM 0 HH22 ARG A 21 14.699 12.015 -14.109 1.00 0.00 H new ATOM 320 N GLU A 22 13.161 3.024 -16.551 1.00 0.00 N ATOM 321 CA GLU A 22 13.472 1.604 -16.668 1.00 0.00 C ATOM 322 C GLU A 22 12.415 0.882 -17.498 1.00 0.00 C ATOM 323 O GLU A 22 12.203 -0.320 -17.344 1.00 0.00 O ATOM 324 CB GLU A 22 13.571 0.965 -15.281 1.00 0.00 C ATOM 325 CG GLU A 22 14.934 1.130 -14.631 1.00 0.00 C ATOM 326 CD GLU A 22 15.507 2.521 -14.822 1.00 0.00 C ATOM 327 OE1 GLU A 22 15.115 3.432 -14.063 1.00 0.00 O ATOM 328 OE2 GLU A 22 16.346 2.698 -15.729 1.00 0.00 O ATOM 0 H GLU A 22 12.511 3.253 -15.799 1.00 0.00 H new ATOM 0 HA GLU A 22 14.433 1.509 -17.173 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.813 1.405 -14.633 1.00 0.00 H new ATOM 0 HB3 GLU A 22 13.343 -0.098 -15.363 1.00 0.00 H new ATOM 0 HG2 GLU A 22 14.852 0.918 -13.565 1.00 0.00 H new ATOM 0 HG3 GLU A 22 15.623 0.397 -15.050 1.00 0.00 H new ATOM 335 N GLY A 23 11.753 1.626 -18.380 1.00 0.00 N ATOM 336 CA GLY A 23 10.725 1.041 -19.221 1.00 0.00 C ATOM 337 C GLY A 23 9.501 0.619 -18.433 1.00 0.00 C ATOM 338 O GLY A 23 8.670 -0.144 -18.925 1.00 0.00 O ATOM 0 H GLY A 23 11.911 2.623 -18.527 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.431 1.761 -19.984 1.00 0.00 H new ATOM 0 HA3 GLY A 23 11.135 0.175 -19.741 1.00 0.00 H new ATOM 342 N PHE A 24 9.391 1.115 -17.205 1.00 0.00 N ATOM 343 CA PHE A 24 8.260 0.783 -16.346 1.00 0.00 C ATOM 344 C PHE A 24 7.726 2.028 -15.645 1.00 0.00 C ATOM 345 O PHE A 24 8.083 2.332 -14.506 1.00 0.00 O ATOM 346 CB PHE A 24 8.672 -0.263 -15.308 1.00 0.00 C ATOM 347 CG PHE A 24 9.215 -1.526 -15.912 1.00 0.00 C ATOM 348 CD1 PHE A 24 8.502 -2.207 -16.886 1.00 0.00 C ATOM 349 CD2 PHE A 24 10.440 -2.032 -15.508 1.00 0.00 C ATOM 350 CE1 PHE A 24 9.000 -3.369 -17.443 1.00 0.00 C ATOM 351 CE2 PHE A 24 10.943 -3.194 -16.062 1.00 0.00 C ATOM 352 CZ PHE A 24 10.223 -3.863 -17.032 1.00 0.00 C ATOM 0 H PHE A 24 10.070 1.748 -16.783 1.00 0.00 H new ATOM 0 HA PHE A 24 7.468 0.372 -16.972 1.00 0.00 H new ATOM 0 HB2 PHE A 24 9.426 0.168 -14.649 1.00 0.00 H new ATOM 0 HB3 PHE A 24 7.809 -0.508 -14.689 1.00 0.00 H new ATOM 0 HD1 PHE A 24 7.546 -1.825 -17.213 1.00 0.00 H new ATOM 0 HD2 PHE A 24 11.009 -1.512 -14.751 1.00 0.00 H new ATOM 0 HE1 PHE A 24 8.433 -3.891 -18.200 1.00 0.00 H new ATOM 0 HE2 PHE A 24 11.898 -3.578 -15.737 1.00 0.00 H new ATOM 0 HZ PHE A 24 10.615 -4.770 -17.468 1.00 0.00 H new ATOM 362 N PRO A 25 6.849 2.767 -16.340 1.00 0.00 N ATOM 363 CA PRO A 25 6.246 3.992 -15.805 1.00 0.00 C ATOM 364 C PRO A 25 5.260 3.707 -14.676 1.00 0.00 C ATOM 365 O PRO A 25 5.092 2.562 -14.261 1.00 0.00 O ATOM 366 CB PRO A 25 5.518 4.586 -17.013 1.00 0.00 C ATOM 367 CG PRO A 25 5.232 3.419 -17.895 1.00 0.00 C ATOM 368 CD PRO A 25 6.378 2.464 -17.702 1.00 0.00 C ATOM 0 HA PRO A 25 6.992 4.657 -15.370 1.00 0.00 H new ATOM 0 HB2 PRO A 25 4.599 5.090 -16.713 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.135 5.326 -17.523 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.285 2.951 -17.628 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.152 3.728 -18.937 1.00 0.00 H new ATOM 0 HD2 PRO A 25 6.056 1.427 -17.794 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.162 2.622 -18.443 1.00 0.00 H new ATOM 376 N ALA A 26 4.612 4.758 -14.185 1.00 0.00 N ATOM 377 CA ALA A 26 3.641 4.620 -13.106 1.00 0.00 C ATOM 378 C ALA A 26 2.605 3.550 -13.433 1.00 0.00 C ATOM 379 O ALA A 26 2.039 3.533 -14.525 1.00 0.00 O ATOM 380 CB ALA A 26 2.958 5.953 -12.837 1.00 0.00 C ATOM 0 H ALA A 26 4.741 5.714 -14.517 1.00 0.00 H new ATOM 0 HA ALA A 26 4.175 4.309 -12.208 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.236 5.835 -12.029 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.705 6.693 -12.551 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.443 6.287 -13.738 1.00 0.00 H new ATOM 386 N GLY A 27 2.363 2.656 -12.478 1.00 0.00 N ATOM 387 CA GLY A 27 1.396 1.594 -12.685 1.00 0.00 C ATOM 388 C GLY A 27 2.044 0.225 -12.751 1.00 0.00 C ATOM 389 O GLY A 27 1.357 -0.791 -12.863 1.00 0.00 O ATOM 0 H GLY A 27 2.819 2.649 -11.566 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.666 1.609 -11.876 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.850 1.779 -13.610 1.00 0.00 H new ATOM 393 N THR A 28 3.371 0.196 -12.683 1.00 0.00 N ATOM 394 CA THR A 28 4.112 -1.058 -12.739 1.00 0.00 C ATOM 395 C THR A 28 4.321 -1.636 -11.344 1.00 0.00 C ATOM 396 O THR A 28 4.521 -0.897 -10.380 1.00 0.00 O ATOM 397 CB THR A 28 5.484 -0.870 -13.415 1.00 0.00 C ATOM 398 OG1 THR A 28 5.312 -0.342 -14.735 1.00 0.00 O ATOM 399 CG2 THR A 28 6.237 -2.189 -13.486 1.00 0.00 C ATOM 0 H THR A 28 3.955 1.027 -12.589 1.00 0.00 H new ATOM 0 HA THR A 28 3.515 -1.752 -13.331 1.00 0.00 H new ATOM 0 HB THR A 28 6.066 -0.169 -12.817 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.242 0.634 -14.690 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.202 -2.031 -13.967 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.392 -2.574 -12.478 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.657 -2.908 -14.064 1.00 0.00 H new ATOM 407 N ARG A 29 4.273 -2.960 -11.245 1.00 0.00 N ATOM 408 CA ARG A 29 4.457 -3.637 -9.967 1.00 0.00 C ATOM 409 C ARG A 29 5.588 -4.657 -10.049 1.00 0.00 C ATOM 410 O ARG A 29 6.047 -5.003 -11.138 1.00 0.00 O ATOM 411 CB ARG A 29 3.161 -4.330 -9.542 1.00 0.00 C ATOM 412 CG ARG A 29 2.453 -5.047 -10.680 1.00 0.00 C ATOM 413 CD ARG A 29 1.383 -4.169 -11.311 1.00 0.00 C ATOM 414 NE ARG A 29 0.038 -4.676 -11.055 1.00 0.00 N ATOM 415 CZ ARG A 29 -1.066 -3.967 -11.263 1.00 0.00 C ATOM 416 NH1 ARG A 29 -0.985 -2.728 -11.728 1.00 0.00 N ATOM 417 NH2 ARG A 29 -2.255 -4.497 -11.006 1.00 0.00 N ATOM 0 H ARG A 29 4.108 -3.585 -12.034 1.00 0.00 H new ATOM 0 HA ARG A 29 4.722 -2.887 -9.222 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.385 -5.049 -8.754 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.486 -3.589 -9.115 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.181 -5.337 -11.438 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.999 -5.965 -10.307 1.00 0.00 H new ATOM 0 HD2 ARG A 29 1.469 -3.155 -10.920 1.00 0.00 H new ATOM 0 HD3 ARG A 29 1.550 -4.111 -12.387 1.00 0.00 H new ATOM 0 HE ARG A 29 -0.059 -5.626 -10.697 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.073 -2.317 -11.927 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.835 -2.186 -11.887 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.322 -5.450 -10.648 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.102 -3.952 -11.166 1.00 0.00 H new ATOM 431 N TRP A 30 6.034 -5.134 -8.892 1.00 0.00 N ATOM 432 CA TRP A 30 7.112 -6.114 -8.834 1.00 0.00 C ATOM 433 C TRP A 30 6.688 -7.429 -9.478 1.00 0.00 C ATOM 434 O TRP A 30 7.524 -8.281 -9.780 1.00 0.00 O ATOM 435 CB TRP A 30 7.532 -6.354 -7.383 1.00 0.00 C ATOM 436 CG TRP A 30 6.443 -6.945 -6.539 1.00 0.00 C ATOM 437 CD1 TRP A 30 5.390 -6.282 -5.979 1.00 0.00 C ATOM 438 CD2 TRP A 30 6.303 -8.319 -6.160 1.00 0.00 C ATOM 439 NE1 TRP A 30 4.603 -7.160 -5.274 1.00 0.00 N ATOM 440 CE2 TRP A 30 5.141 -8.416 -5.370 1.00 0.00 C ATOM 441 CE3 TRP A 30 7.045 -9.476 -6.412 1.00 0.00 C ATOM 442 CZ2 TRP A 30 4.707 -9.624 -4.831 1.00 0.00 C ATOM 443 CZ3 TRP A 30 6.613 -10.674 -5.877 1.00 0.00 C ATOM 444 CH2 TRP A 30 5.452 -10.741 -5.094 1.00 0.00 C ATOM 0 H TRP A 30 5.666 -4.858 -7.982 1.00 0.00 H new ATOM 0 HA TRP A 30 7.961 -5.717 -9.390 1.00 0.00 H new ATOM 0 HB2 TRP A 30 8.395 -7.019 -7.368 1.00 0.00 H new ATOM 0 HB3 TRP A 30 7.850 -5.409 -6.943 1.00 0.00 H new ATOM 0 HD1 TRP A 30 5.203 -5.223 -6.076 1.00 0.00 H new ATOM 0 HE1 TRP A 30 3.755 -6.916 -4.762 1.00 0.00 H new ATOM 0 HE3 TRP A 30 7.940 -9.434 -7.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 3.814 -9.678 -4.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 7.179 -11.574 -6.065 1.00 0.00 H new ATOM 0 HH2 TRP A 30 5.140 -11.693 -4.691 1.00 0.00 H new ATOM 455 N ASP A 31 5.386 -7.588 -9.686 1.00 0.00 N ATOM 456 CA ASP A 31 4.851 -8.800 -10.297 1.00 0.00 C ATOM 457 C ASP A 31 4.941 -8.727 -11.818 1.00 0.00 C ATOM 458 O ASP A 31 5.125 -9.744 -12.486 1.00 0.00 O ATOM 459 CB ASP A 31 3.399 -9.014 -9.869 1.00 0.00 C ATOM 460 CG ASP A 31 2.934 -10.440 -10.090 1.00 0.00 C ATOM 461 OD1 ASP A 31 3.756 -11.364 -9.922 1.00 0.00 O ATOM 462 OD2 ASP A 31 1.748 -10.631 -10.433 1.00 0.00 O ATOM 0 H ASP A 31 4.681 -6.893 -9.441 1.00 0.00 H new ATOM 0 HA ASP A 31 5.450 -9.644 -9.956 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.293 -8.760 -8.814 1.00 0.00 H new ATOM 0 HB3 ASP A 31 2.755 -8.334 -10.427 1.00 0.00 H new ATOM 467 N GLN A 32 4.809 -7.520 -12.356 1.00 0.00 N ATOM 468 CA GLN A 32 4.873 -7.316 -13.799 1.00 0.00 C ATOM 469 C GLN A 32 6.264 -7.641 -14.333 1.00 0.00 C ATOM 470 O GLN A 32 6.420 -8.026 -15.492 1.00 0.00 O ATOM 471 CB GLN A 32 4.505 -5.873 -14.148 1.00 0.00 C ATOM 472 CG GLN A 32 3.006 -5.618 -14.175 1.00 0.00 C ATOM 473 CD GLN A 32 2.333 -6.224 -15.391 1.00 0.00 C ATOM 474 OE1 GLN A 32 2.354 -5.647 -16.479 1.00 0.00 O ATOM 475 NE2 GLN A 32 1.730 -7.393 -15.212 1.00 0.00 N ATOM 0 H GLN A 32 4.657 -6.668 -11.816 1.00 0.00 H new ATOM 0 HA GLN A 32 4.156 -7.990 -14.268 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.966 -5.203 -13.422 1.00 0.00 H new ATOM 0 HB3 GLN A 32 4.925 -5.625 -15.123 1.00 0.00 H new ATOM 0 HG2 GLN A 32 2.555 -6.029 -13.272 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.824 -4.543 -14.161 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.737 -7.835 -14.293 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.259 -7.849 -15.994 1.00 0.00 H new ATOM 484 N ILE A 33 7.272 -7.484 -13.481 1.00 0.00 N ATOM 485 CA ILE A 33 8.649 -7.762 -13.868 1.00 0.00 C ATOM 486 C ILE A 33 8.777 -9.149 -14.487 1.00 0.00 C ATOM 487 O ILE A 33 8.264 -10.139 -13.964 1.00 0.00 O ATOM 488 CB ILE A 33 9.604 -7.659 -12.663 1.00 0.00 C ATOM 489 CG1 ILE A 33 9.486 -6.282 -12.007 1.00 0.00 C ATOM 490 CG2 ILE A 33 11.037 -7.923 -13.099 1.00 0.00 C ATOM 491 CD1 ILE A 33 9.829 -5.139 -12.936 1.00 0.00 C ATOM 0 H ILE A 33 7.160 -7.166 -12.518 1.00 0.00 H new ATOM 0 HA ILE A 33 8.927 -7.011 -14.607 1.00 0.00 H new ATOM 0 HB ILE A 33 9.323 -8.415 -11.930 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.468 -6.149 -11.641 1.00 0.00 H new ATOM 0 HG13 ILE A 33 10.144 -6.244 -11.139 1.00 0.00 H new ATOM 0 HG21 ILE A 33 11.700 -7.847 -12.237 1.00 0.00 H new ATOM 0 HG22 ILE A 33 11.109 -8.924 -13.525 1.00 0.00 H new ATOM 0 HG23 ILE A 33 11.331 -7.188 -13.848 1.00 0.00 H new ATOM 0 HD11 ILE A 33 9.724 -4.194 -12.404 1.00 0.00 H new ATOM 0 HD12 ILE A 33 10.857 -5.248 -13.283 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.154 -5.151 -13.792 1.00 0.00 H new ATOM 503 N PRO A 34 9.480 -9.226 -15.627 1.00 0.00 N ATOM 504 CA PRO A 34 9.694 -10.488 -16.341 1.00 0.00 C ATOM 505 C PRO A 34 10.628 -11.429 -15.587 1.00 0.00 C ATOM 506 O PRO A 34 11.724 -11.040 -15.184 1.00 0.00 O ATOM 507 CB PRO A 34 10.332 -10.045 -17.660 1.00 0.00 C ATOM 508 CG PRO A 34 10.984 -8.743 -17.347 1.00 0.00 C ATOM 509 CD PRO A 34 10.120 -8.087 -16.306 1.00 0.00 C ATOM 0 HA PRO A 34 8.767 -11.048 -16.467 1.00 0.00 H new ATOM 0 HB2 PRO A 34 11.058 -10.777 -18.014 1.00 0.00 H new ATOM 0 HB3 PRO A 34 9.583 -9.934 -18.444 1.00 0.00 H new ATOM 0 HG2 PRO A 34 11.997 -8.894 -16.975 1.00 0.00 H new ATOM 0 HG3 PRO A 34 11.061 -8.121 -18.239 1.00 0.00 H new ATOM 0 HD2 PRO A 34 10.710 -7.487 -15.614 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.383 -7.422 -16.756 1.00 0.00 H new ATOM 517 N ASP A 35 10.187 -12.668 -15.401 1.00 0.00 N ATOM 518 CA ASP A 35 10.984 -13.666 -14.697 1.00 0.00 C ATOM 519 C ASP A 35 12.274 -13.964 -15.455 1.00 0.00 C ATOM 520 O ASP A 35 13.212 -14.538 -14.902 1.00 0.00 O ATOM 521 CB ASP A 35 10.179 -14.953 -14.509 1.00 0.00 C ATOM 522 CG ASP A 35 9.016 -14.774 -13.554 1.00 0.00 C ATOM 523 OD1 ASP A 35 8.028 -14.115 -13.940 1.00 0.00 O ATOM 524 OD2 ASP A 35 9.093 -15.291 -12.420 1.00 0.00 O ATOM 0 H ASP A 35 9.282 -13.006 -15.728 1.00 0.00 H new ATOM 0 HA ASP A 35 11.244 -13.263 -13.718 1.00 0.00 H new ATOM 0 HB2 ASP A 35 9.803 -15.287 -15.476 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.836 -15.738 -14.134 1.00 0.00 H new ATOM 529 N ASP A 36 12.313 -13.571 -16.723 1.00 0.00 N ATOM 530 CA ASP A 36 13.488 -13.796 -17.557 1.00 0.00 C ATOM 531 C ASP A 36 14.393 -12.568 -17.565 1.00 0.00 C ATOM 532 O ASP A 36 15.155 -12.352 -18.507 1.00 0.00 O ATOM 533 CB ASP A 36 13.067 -14.143 -18.986 1.00 0.00 C ATOM 534 CG ASP A 36 14.095 -14.996 -19.702 1.00 0.00 C ATOM 535 OD1 ASP A 36 14.070 -16.232 -19.522 1.00 0.00 O ATOM 536 OD2 ASP A 36 14.924 -14.429 -20.443 1.00 0.00 O ATOM 0 H ASP A 36 11.545 -13.095 -17.196 1.00 0.00 H new ATOM 0 HA ASP A 36 14.045 -14.633 -17.137 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.114 -14.671 -18.963 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.908 -13.223 -19.548 1.00 0.00 H new ATOM 541 N TRP A 37 14.303 -11.767 -16.509 1.00 0.00 N ATOM 542 CA TRP A 37 15.113 -10.560 -16.395 1.00 0.00 C ATOM 543 C TRP A 37 16.539 -10.899 -15.976 1.00 0.00 C ATOM 544 O TRP A 37 16.768 -11.419 -14.884 1.00 0.00 O ATOM 545 CB TRP A 37 14.487 -9.596 -15.385 1.00 0.00 C ATOM 546 CG TRP A 37 15.216 -8.290 -15.282 1.00 0.00 C ATOM 547 CD1 TRP A 37 15.991 -7.705 -16.242 1.00 0.00 C ATOM 548 CD2 TRP A 37 15.238 -7.408 -14.154 1.00 0.00 C ATOM 549 NE1 TRP A 37 16.493 -6.513 -15.780 1.00 0.00 N ATOM 550 CE2 TRP A 37 16.045 -6.307 -14.502 1.00 0.00 C ATOM 551 CE3 TRP A 37 14.652 -7.439 -12.886 1.00 0.00 C ATOM 552 CZ2 TRP A 37 16.282 -5.251 -13.625 1.00 0.00 C ATOM 553 CZ3 TRP A 37 14.888 -6.391 -12.017 1.00 0.00 C ATOM 554 CH2 TRP A 37 15.696 -5.309 -12.390 1.00 0.00 C ATOM 0 H TRP A 37 13.678 -11.932 -15.720 1.00 0.00 H new ATOM 0 HA TRP A 37 15.146 -10.080 -17.373 1.00 0.00 H new ATOM 0 HB2 TRP A 37 13.452 -9.405 -15.669 1.00 0.00 H new ATOM 0 HB3 TRP A 37 14.466 -10.071 -14.404 1.00 0.00 H new ATOM 0 HD1 TRP A 37 16.181 -8.119 -17.221 1.00 0.00 H new ATOM 0 HE1 TRP A 37 17.101 -5.883 -16.304 1.00 0.00 H new ATOM 0 HE3 TRP A 37 14.026 -8.268 -12.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 16.906 -4.417 -13.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 14.442 -6.406 -11.034 1.00 0.00 H new ATOM 0 HH2 TRP A 37 15.860 -4.504 -11.688 1.00 0.00 H new ATOM 565 N CYS A 38 17.494 -10.601 -16.851 1.00 0.00 N ATOM 566 CA CYS A 38 18.899 -10.875 -16.572 1.00 0.00 C ATOM 567 C CYS A 38 19.617 -9.613 -16.104 1.00 0.00 C ATOM 568 O CYS A 38 19.536 -8.567 -16.749 1.00 0.00 O ATOM 569 CB CYS A 38 19.587 -11.438 -17.816 1.00 0.00 C ATOM 570 SG CYS A 38 18.718 -12.829 -18.576 1.00 0.00 S ATOM 0 H CYS A 38 17.321 -10.170 -17.759 1.00 0.00 H new ATOM 0 HA CYS A 38 18.948 -11.615 -15.773 1.00 0.00 H new ATOM 0 HB2 CYS A 38 19.689 -10.641 -18.553 1.00 0.00 H new ATOM 0 HB3 CYS A 38 20.595 -11.756 -17.548 1.00 0.00 H new ATOM 0 HG CYS A 38 17.436 -12.618 -18.528 1.00 0.00 H new ATOM 576 N CYS A 39 20.316 -9.719 -14.980 1.00 0.00 N ATOM 577 CA CYS A 39 21.047 -8.585 -14.425 1.00 0.00 C ATOM 578 C CYS A 39 22.511 -8.943 -14.193 1.00 0.00 C ATOM 579 O CYS A 39 22.888 -10.113 -14.133 1.00 0.00 O ATOM 580 CB CYS A 39 20.406 -8.132 -13.113 1.00 0.00 C ATOM 581 SG CYS A 39 19.398 -6.638 -13.261 1.00 0.00 S ATOM 0 H CYS A 39 20.392 -10.578 -14.435 1.00 0.00 H new ATOM 0 HA CYS A 39 21.002 -7.767 -15.144 1.00 0.00 H new ATOM 0 HB2 CYS A 39 19.785 -8.940 -12.727 1.00 0.00 H new ATOM 0 HB3 CYS A 39 21.192 -7.956 -12.379 1.00 0.00 H new ATOM 0 HG CYS A 39 18.210 -6.956 -13.681 1.00 0.00 H new ATOM 587 N PRO A 40 23.359 -7.912 -14.060 1.00 0.00 N ATOM 588 CA PRO A 40 24.796 -8.092 -13.834 1.00 0.00 C ATOM 589 C PRO A 40 25.099 -8.646 -12.446 1.00 0.00 C ATOM 590 O PRO A 40 25.845 -9.615 -12.303 1.00 0.00 O ATOM 591 CB PRO A 40 25.358 -6.676 -13.978 1.00 0.00 C ATOM 592 CG PRO A 40 24.216 -5.779 -13.646 1.00 0.00 C ATOM 593 CD PRO A 40 22.979 -6.490 -14.120 1.00 0.00 C ATOM 0 HA PRO A 40 25.231 -8.811 -14.529 1.00 0.00 H new ATOM 0 HB2 PRO A 40 26.198 -6.513 -13.303 1.00 0.00 H new ATOM 0 HB3 PRO A 40 25.722 -6.496 -14.989 1.00 0.00 H new ATOM 0 HG2 PRO A 40 24.169 -5.587 -12.574 1.00 0.00 H new ATOM 0 HG3 PRO A 40 24.323 -4.812 -14.138 1.00 0.00 H new ATOM 0 HD2 PRO A 40 22.122 -6.276 -13.481 1.00 0.00 H new ATOM 0 HD3 PRO A 40 22.705 -6.189 -15.131 1.00 0.00 H new ATOM 601 N ASP A 41 24.515 -8.027 -11.426 1.00 0.00 N ATOM 602 CA ASP A 41 24.721 -8.460 -10.049 1.00 0.00 C ATOM 603 C ASP A 41 23.851 -9.671 -9.724 1.00 0.00 C ATOM 604 O ASP A 41 24.346 -10.692 -9.246 1.00 0.00 O ATOM 605 CB ASP A 41 24.410 -7.318 -9.081 1.00 0.00 C ATOM 606 CG ASP A 41 25.662 -6.623 -8.584 1.00 0.00 C ATOM 607 OD1 ASP A 41 26.643 -6.547 -9.353 1.00 0.00 O ATOM 608 OD2 ASP A 41 25.662 -6.155 -7.426 1.00 0.00 O ATOM 0 H ASP A 41 23.895 -7.223 -11.527 1.00 0.00 H new ATOM 0 HA ASP A 41 25.767 -8.746 -9.937 1.00 0.00 H new ATOM 0 HB2 ASP A 41 23.767 -6.591 -9.576 1.00 0.00 H new ATOM 0 HB3 ASP A 41 23.853 -7.709 -8.230 1.00 0.00 H new ATOM 613 N CYS A 42 22.555 -9.548 -9.985 1.00 0.00 N ATOM 614 CA CYS A 42 21.615 -10.632 -9.718 1.00 0.00 C ATOM 615 C CYS A 42 22.040 -11.909 -10.435 1.00 0.00 C ATOM 616 O CYS A 42 21.659 -13.010 -10.041 1.00 0.00 O ATOM 617 CB CYS A 42 20.205 -10.231 -10.155 1.00 0.00 C ATOM 618 SG CYS A 42 18.932 -11.447 -9.744 1.00 0.00 S ATOM 0 H CYS A 42 22.130 -8.709 -10.381 1.00 0.00 H new ATOM 0 HA CYS A 42 21.614 -10.823 -8.645 1.00 0.00 H new ATOM 0 HB2 CYS A 42 19.948 -9.280 -9.688 1.00 0.00 H new ATOM 0 HB3 CYS A 42 20.203 -10.068 -11.233 1.00 0.00 H new ATOM 0 HG CYS A 42 19.442 -12.369 -8.982 1.00 0.00 H new ATOM 624 N SER A 43 22.830 -11.752 -11.493 1.00 0.00 N ATOM 625 CA SER A 43 23.302 -12.892 -12.270 1.00 0.00 C ATOM 626 C SER A 43 23.908 -13.956 -11.359 1.00 0.00 C ATOM 627 O SER A 43 23.828 -15.152 -11.643 1.00 0.00 O ATOM 628 CB SER A 43 24.336 -12.440 -13.302 1.00 0.00 C ATOM 629 OG SER A 43 23.853 -12.623 -14.622 1.00 0.00 O ATOM 0 H SER A 43 23.156 -10.847 -11.831 1.00 0.00 H new ATOM 0 HA SER A 43 22.447 -13.326 -12.789 1.00 0.00 H new ATOM 0 HB2 SER A 43 24.578 -11.389 -13.142 1.00 0.00 H new ATOM 0 HB3 SER A 43 25.259 -13.004 -13.168 1.00 0.00 H new ATOM 0 HG SER A 43 23.370 -11.819 -14.908 1.00 0.00 H new ATOM 635 N VAL A 44 24.514 -13.513 -10.263 1.00 0.00 N ATOM 636 CA VAL A 44 25.133 -14.425 -9.309 1.00 0.00 C ATOM 637 C VAL A 44 24.437 -14.360 -7.955 1.00 0.00 C ATOM 638 O VAL A 44 25.049 -14.616 -6.917 1.00 0.00 O ATOM 639 CB VAL A 44 26.629 -14.110 -9.120 1.00 0.00 C ATOM 640 CG1 VAL A 44 27.419 -14.506 -10.359 1.00 0.00 C ATOM 641 CG2 VAL A 44 26.826 -12.636 -8.800 1.00 0.00 C ATOM 0 H VAL A 44 24.590 -12.527 -10.013 1.00 0.00 H new ATOM 0 HA VAL A 44 25.030 -15.429 -9.720 1.00 0.00 H new ATOM 0 HB VAL A 44 27.002 -14.694 -8.279 1.00 0.00 H new ATOM 0 HG11 VAL A 44 28.474 -14.276 -10.207 1.00 0.00 H new ATOM 0 HG12 VAL A 44 27.303 -15.575 -10.538 1.00 0.00 H new ATOM 0 HG13 VAL A 44 27.047 -13.951 -11.220 1.00 0.00 H new ATOM 0 HG21 VAL A 44 27.889 -12.431 -8.670 1.00 0.00 H new ATOM 0 HG22 VAL A 44 26.437 -12.031 -9.619 1.00 0.00 H new ATOM 0 HG23 VAL A 44 26.293 -12.389 -7.882 1.00 0.00 H new ATOM 651 N ARG A 45 23.153 -14.017 -7.972 1.00 0.00 N ATOM 652 CA ARG A 45 22.372 -13.918 -6.744 1.00 0.00 C ATOM 653 C ARG A 45 20.915 -14.296 -6.995 1.00 0.00 C ATOM 654 O ARG A 45 20.266 -13.748 -7.885 1.00 0.00 O ATOM 655 CB ARG A 45 22.452 -12.499 -6.178 1.00 0.00 C ATOM 656 CG ARG A 45 23.623 -12.286 -5.233 1.00 0.00 C ATOM 657 CD ARG A 45 23.318 -12.813 -3.840 1.00 0.00 C ATOM 658 NE ARG A 45 23.830 -14.166 -3.642 1.00 0.00 N ATOM 659 CZ ARG A 45 25.111 -14.443 -3.423 1.00 0.00 C ATOM 660 NH1 ARG A 45 26.005 -13.466 -3.373 1.00 0.00 N ATOM 661 NH2 ARG A 45 25.499 -15.701 -3.253 1.00 0.00 N ATOM 0 H ARG A 45 22.631 -13.803 -8.822 1.00 0.00 H new ATOM 0 HA ARG A 45 22.790 -14.616 -6.019 1.00 0.00 H new ATOM 0 HB2 ARG A 45 22.529 -11.791 -7.003 1.00 0.00 H new ATOM 0 HB3 ARG A 45 21.525 -12.274 -5.651 1.00 0.00 H new ATOM 0 HG2 ARG A 45 24.506 -12.788 -5.628 1.00 0.00 H new ATOM 0 HG3 ARG A 45 23.858 -11.223 -5.178 1.00 0.00 H new ATOM 0 HD2 ARG A 45 23.756 -12.147 -3.097 1.00 0.00 H new ATOM 0 HD3 ARG A 45 22.240 -12.806 -3.678 1.00 0.00 H new ATOM 0 HE ARG A 45 23.168 -14.941 -3.674 1.00 0.00 H new ATOM 0 HH11 ARG A 45 25.710 -12.498 -3.503 1.00 0.00 H new ATOM 0 HH12 ARG A 45 26.988 -13.682 -3.205 1.00 0.00 H new ATOM 0 HH21 ARG A 45 24.814 -16.456 -3.290 1.00 0.00 H new ATOM 0 HH22 ARG A 45 26.482 -15.913 -3.085 1.00 0.00 H new ATOM 675 N GLU A 46 20.409 -15.237 -6.203 1.00 0.00 N ATOM 676 CA GLU A 46 19.029 -15.689 -6.341 1.00 0.00 C ATOM 677 C GLU A 46 18.053 -14.554 -6.042 1.00 0.00 C ATOM 678 O GLU A 46 18.274 -13.752 -5.135 1.00 0.00 O ATOM 679 CB GLU A 46 18.760 -16.868 -5.404 1.00 0.00 C ATOM 680 CG GLU A 46 19.395 -18.169 -5.865 1.00 0.00 C ATOM 681 CD GLU A 46 18.990 -19.352 -5.007 1.00 0.00 C ATOM 682 OE1 GLU A 46 19.445 -19.426 -3.847 1.00 0.00 O ATOM 683 OE2 GLU A 46 18.218 -20.203 -5.496 1.00 0.00 O ATOM 0 H GLU A 46 20.933 -15.700 -5.461 1.00 0.00 H new ATOM 0 HA GLU A 46 18.880 -16.012 -7.371 1.00 0.00 H new ATOM 0 HB2 GLU A 46 19.134 -16.624 -4.410 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.683 -17.011 -5.314 1.00 0.00 H new ATOM 0 HG2 GLU A 46 19.111 -18.361 -6.900 1.00 0.00 H new ATOM 0 HG3 GLU A 46 20.480 -18.066 -5.846 1.00 0.00 H new ATOM 690 N LYS A 47 16.972 -14.494 -6.812 1.00 0.00 N ATOM 691 CA LYS A 47 15.960 -13.460 -6.632 1.00 0.00 C ATOM 692 C LYS A 47 15.396 -13.492 -5.215 1.00 0.00 C ATOM 693 O LYS A 47 14.921 -12.478 -4.702 1.00 0.00 O ATOM 694 CB LYS A 47 14.828 -13.643 -7.646 1.00 0.00 C ATOM 695 CG LYS A 47 14.220 -12.334 -8.121 1.00 0.00 C ATOM 696 CD LYS A 47 13.610 -12.473 -9.505 1.00 0.00 C ATOM 697 CE LYS A 47 13.051 -11.149 -10.003 1.00 0.00 C ATOM 698 NZ LYS A 47 14.052 -10.051 -9.900 1.00 0.00 N ATOM 0 H LYS A 47 16.774 -15.150 -7.568 1.00 0.00 H new ATOM 0 HA LYS A 47 16.433 -12.492 -6.795 1.00 0.00 H new ATOM 0 HB2 LYS A 47 15.208 -14.191 -8.508 1.00 0.00 H new ATOM 0 HB3 LYS A 47 14.046 -14.256 -7.198 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.455 -12.010 -7.416 1.00 0.00 H new ATOM 0 HG3 LYS A 47 14.987 -11.560 -8.136 1.00 0.00 H new ATOM 0 HD2 LYS A 47 14.366 -12.835 -10.202 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.815 -13.219 -9.480 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.734 -11.256 -11.040 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.165 -10.888 -9.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.729 -9.234 -10.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 14.159 -9.771 -8.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.968 -10.380 -10.267 1.00 0.00 H new ATOM 712 N VAL A 48 15.454 -14.661 -4.586 1.00 0.00 N ATOM 713 CA VAL A 48 14.952 -14.823 -3.226 1.00 0.00 C ATOM 714 C VAL A 48 15.706 -13.927 -2.251 1.00 0.00 C ATOM 715 O VAL A 48 15.231 -13.653 -1.149 1.00 0.00 O ATOM 716 CB VAL A 48 15.066 -16.286 -2.757 1.00 0.00 C ATOM 717 CG1 VAL A 48 16.526 -16.683 -2.598 1.00 0.00 C ATOM 718 CG2 VAL A 48 14.305 -16.488 -1.455 1.00 0.00 C ATOM 0 H VAL A 48 15.843 -15.510 -4.996 1.00 0.00 H new ATOM 0 HA VAL A 48 13.901 -14.535 -3.240 1.00 0.00 H new ATOM 0 HB VAL A 48 14.620 -16.929 -3.516 1.00 0.00 H new ATOM 0 HG11 VAL A 48 16.587 -17.719 -2.266 1.00 0.00 H new ATOM 0 HG12 VAL A 48 17.038 -16.577 -3.554 1.00 0.00 H new ATOM 0 HG13 VAL A 48 17.000 -16.037 -1.859 1.00 0.00 H new ATOM 0 HG21 VAL A 48 14.396 -17.527 -1.138 1.00 0.00 H new ATOM 0 HG22 VAL A 48 14.720 -15.836 -0.686 1.00 0.00 H new ATOM 0 HG23 VAL A 48 13.253 -16.246 -1.607 1.00 0.00 H new ATOM 728 N ASP A 49 16.885 -13.473 -2.664 1.00 0.00 N ATOM 729 CA ASP A 49 17.706 -12.606 -1.827 1.00 0.00 C ATOM 730 C ASP A 49 16.991 -11.289 -1.544 1.00 0.00 C ATOM 731 O ASP A 49 17.324 -10.581 -0.593 1.00 0.00 O ATOM 732 CB ASP A 49 19.051 -12.336 -2.502 1.00 0.00 C ATOM 733 CG ASP A 49 20.050 -11.688 -1.563 1.00 0.00 C ATOM 734 OD1 ASP A 49 20.086 -12.074 -0.377 1.00 0.00 O ATOM 735 OD2 ASP A 49 20.795 -10.793 -2.015 1.00 0.00 O ATOM 0 H ASP A 49 17.293 -13.691 -3.573 1.00 0.00 H new ATOM 0 HA ASP A 49 17.880 -13.115 -0.879 1.00 0.00 H new ATOM 0 HB2 ASP A 49 19.462 -13.274 -2.874 1.00 0.00 H new ATOM 0 HB3 ASP A 49 18.897 -11.690 -3.366 1.00 0.00 H new ATOM 740 N PHE A 50 16.007 -10.964 -2.377 1.00 0.00 N ATOM 741 CA PHE A 50 15.246 -9.731 -2.218 1.00 0.00 C ATOM 742 C PHE A 50 14.302 -9.825 -1.023 1.00 0.00 C ATOM 743 O PHE A 50 13.596 -10.818 -0.853 1.00 0.00 O ATOM 744 CB PHE A 50 14.450 -9.430 -3.489 1.00 0.00 C ATOM 745 CG PHE A 50 15.159 -8.504 -4.435 1.00 0.00 C ATOM 746 CD1 PHE A 50 15.023 -7.130 -4.313 1.00 0.00 C ATOM 747 CD2 PHE A 50 15.961 -9.007 -5.447 1.00 0.00 C ATOM 748 CE1 PHE A 50 15.674 -6.275 -5.183 1.00 0.00 C ATOM 749 CE2 PHE A 50 16.615 -8.157 -6.319 1.00 0.00 C ATOM 750 CZ PHE A 50 16.471 -6.789 -6.187 1.00 0.00 C ATOM 0 H PHE A 50 15.718 -11.538 -3.169 1.00 0.00 H new ATOM 0 HA PHE A 50 15.951 -8.919 -2.039 1.00 0.00 H new ATOM 0 HB2 PHE A 50 14.234 -10.366 -4.003 1.00 0.00 H new ATOM 0 HB3 PHE A 50 13.492 -8.990 -3.212 1.00 0.00 H new ATOM 0 HD1 PHE A 50 14.401 -6.723 -3.529 1.00 0.00 H new ATOM 0 HD2 PHE A 50 16.076 -10.075 -5.556 1.00 0.00 H new ATOM 0 HE1 PHE A 50 15.559 -5.206 -5.078 1.00 0.00 H new ATOM 0 HE2 PHE A 50 17.238 -8.562 -7.103 1.00 0.00 H new ATOM 0 HZ PHE A 50 16.981 -6.123 -6.868 1.00 0.00 H new ATOM 760 N GLU A 51 14.296 -8.782 -0.197 1.00 0.00 N ATOM 761 CA GLU A 51 13.439 -8.748 0.982 1.00 0.00 C ATOM 762 C GLU A 51 12.500 -7.546 0.938 1.00 0.00 C ATOM 763 O GLU A 51 12.814 -6.522 0.333 1.00 0.00 O ATOM 764 CB GLU A 51 14.288 -8.700 2.255 1.00 0.00 C ATOM 765 CG GLU A 51 15.324 -9.808 2.338 1.00 0.00 C ATOM 766 CD GLU A 51 15.924 -9.943 3.724 1.00 0.00 C ATOM 767 OE1 GLU A 51 15.199 -10.379 4.643 1.00 0.00 O ATOM 768 OE2 GLU A 51 17.116 -9.613 3.890 1.00 0.00 O ATOM 0 H GLU A 51 14.874 -7.951 -0.323 1.00 0.00 H new ATOM 0 HA GLU A 51 12.837 -9.657 0.989 1.00 0.00 H new ATOM 0 HB2 GLU A 51 14.794 -7.736 2.308 1.00 0.00 H new ATOM 0 HB3 GLU A 51 13.631 -8.763 3.122 1.00 0.00 H new ATOM 0 HG2 GLU A 51 14.863 -10.753 2.052 1.00 0.00 H new ATOM 0 HG3 GLU A 51 16.120 -9.611 1.619 1.00 0.00 H new ATOM 775 N ARG A 52 11.346 -7.681 1.584 1.00 0.00 N ATOM 776 CA ARG A 52 10.360 -6.607 1.618 1.00 0.00 C ATOM 777 C ARG A 52 10.720 -5.571 2.679 1.00 0.00 C ATOM 778 O ARG A 52 10.773 -5.881 3.869 1.00 0.00 O ATOM 779 CB ARG A 52 8.967 -7.174 1.895 1.00 0.00 C ATOM 780 CG ARG A 52 7.910 -6.107 2.127 1.00 0.00 C ATOM 781 CD ARG A 52 6.529 -6.719 2.301 1.00 0.00 C ATOM 782 NE ARG A 52 6.089 -7.426 1.101 1.00 0.00 N ATOM 783 CZ ARG A 52 4.991 -8.172 1.048 1.00 0.00 C ATOM 784 NH1 ARG A 52 4.225 -8.306 2.122 1.00 0.00 N ATOM 785 NH2 ARG A 52 4.656 -8.784 -0.080 1.00 0.00 N ATOM 0 H ARG A 52 11.071 -8.523 2.090 1.00 0.00 H new ATOM 0 HA ARG A 52 10.359 -6.118 0.644 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.664 -7.797 1.054 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.015 -7.822 2.770 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.166 -5.526 3.013 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.899 -5.415 1.285 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.542 -7.409 3.144 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.812 -5.934 2.543 1.00 0.00 H new ATOM 0 HE ARG A 52 6.656 -7.342 0.257 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.478 -7.836 2.991 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.382 -8.879 2.079 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.242 -8.682 -0.909 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.813 -9.356 -0.119 1.00 0.00 H new ATOM 799 N MET A 53 10.966 -4.342 2.239 1.00 0.00 N ATOM 800 CA MET A 53 11.320 -3.261 3.151 1.00 0.00 C ATOM 801 C MET A 53 10.158 -2.933 4.083 1.00 0.00 C ATOM 802 O MET A 53 8.994 -3.071 3.711 1.00 0.00 O ATOM 803 CB MET A 53 11.726 -2.013 2.364 1.00 0.00 C ATOM 804 CG MET A 53 10.668 -1.547 1.377 1.00 0.00 C ATOM 805 SD MET A 53 9.740 -0.121 1.974 1.00 0.00 S ATOM 806 CE MET A 53 9.937 1.010 0.599 1.00 0.00 C ATOM 0 H MET A 53 10.927 -4.070 1.257 1.00 0.00 H new ATOM 0 HA MET A 53 12.165 -3.591 3.755 1.00 0.00 H new ATOM 0 HB2 MET A 53 11.939 -1.205 3.064 1.00 0.00 H new ATOM 0 HB3 MET A 53 12.650 -2.219 1.824 1.00 0.00 H new ATOM 0 HG2 MET A 53 11.146 -1.294 0.431 1.00 0.00 H new ATOM 0 HG3 MET A 53 9.978 -2.367 1.176 1.00 0.00 H new ATOM 0 HE1 MET A 53 10.167 2.006 0.977 1.00 0.00 H new ATOM 0 HE2 MET A 53 10.751 0.667 -0.040 1.00 0.00 H new ATOM 0 HE3 MET A 53 9.013 1.046 0.022 1.00 0.00 H new ATOM 816 N GLY A 54 10.483 -2.500 5.298 1.00 0.00 N ATOM 817 CA GLY A 54 9.454 -2.160 6.263 1.00 0.00 C ATOM 818 C GLY A 54 9.252 -0.664 6.393 1.00 0.00 C ATOM 819 O GLY A 54 9.191 0.051 5.394 1.00 0.00 O ATOM 0 H GLY A 54 11.440 -2.379 5.630 1.00 0.00 H new ATOM 0 HA2 GLY A 54 8.514 -2.626 5.967 1.00 0.00 H new ATOM 0 HA3 GLY A 54 9.722 -2.573 7.236 1.00 0.00 H new ATOM 823 N GLY A 55 9.147 -0.187 7.630 1.00 0.00 N ATOM 824 CA GLY A 55 8.950 1.231 7.865 1.00 0.00 C ATOM 825 C GLY A 55 8.864 1.569 9.340 1.00 0.00 C ATOM 826 O GLY A 55 7.861 2.112 9.804 1.00 0.00 O ATOM 0 H GLY A 55 9.195 -0.758 8.474 1.00 0.00 H new ATOM 0 HA2 GLY A 55 9.772 1.788 7.415 1.00 0.00 H new ATOM 0 HA3 GLY A 55 8.036 1.555 7.368 1.00 0.00 H new ATOM 830 N LYS A 56 9.918 1.245 10.081 1.00 0.00 N ATOM 831 CA LYS A 56 9.960 1.517 11.513 1.00 0.00 C ATOM 832 C LYS A 56 11.379 1.848 11.964 1.00 0.00 C ATOM 833 O LYS A 56 12.350 1.308 11.435 1.00 0.00 O ATOM 834 CB LYS A 56 9.433 0.312 12.297 1.00 0.00 C ATOM 835 CG LYS A 56 10.183 -0.977 12.008 1.00 0.00 C ATOM 836 CD LYS A 56 9.695 -2.115 12.888 1.00 0.00 C ATOM 837 CE LYS A 56 8.365 -2.668 12.397 1.00 0.00 C ATOM 838 NZ LYS A 56 8.037 -3.972 13.037 1.00 0.00 N ATOM 0 H LYS A 56 10.755 0.793 9.713 1.00 0.00 H new ATOM 0 HA LYS A 56 9.324 2.380 11.712 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.496 0.528 13.364 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.378 0.169 12.062 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.055 -1.246 10.959 1.00 0.00 H new ATOM 0 HG3 LYS A 56 11.250 -0.822 12.170 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.439 -2.911 12.901 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.587 -1.763 13.914 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.573 -1.950 12.609 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.401 -2.793 11.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.124 -4.316 12.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.780 -4.665 12.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.977 -3.848 14.068 1.00 0.00 H new TER 852 LYS A 56