USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=14 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 -160:sc= -0.305 USER MOD Set 1.2: A 9 CYS SG : rot 139:sc= 0.358 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 155:sc= -0.129 (180deg=-0.458) USER MOD Single : A 2 THR OG1 : rot -140:sc= 0.0345 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 -150:sc= 0 USER MOD Single : A 13 TYR OH : rot -147:sc= 0.164 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 85:sc= 1.06 USER MOD Single : A 32 GLN : amide:sc= -0.258 X(o=-0.26,f=0) USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot 130:sc= -0.954 USER MOD Single : A 42 CYS SG : rot 13:sc= 0.469 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -150:sc= -0.124 (180deg=-0.667) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.595 -1.514 0.716 1.00 0.00 N ATOM 2 CA MET A 1 2.275 -1.589 -0.573 1.00 0.00 C ATOM 3 C MET A 1 3.582 -2.366 -0.453 1.00 0.00 C ATOM 4 O MET A 1 4.155 -2.475 0.632 1.00 0.00 O ATOM 5 CB MET A 1 2.550 -0.184 -1.111 1.00 0.00 C ATOM 6 CG MET A 1 3.121 0.764 -0.070 1.00 0.00 C ATOM 7 SD MET A 1 3.352 2.436 -0.705 1.00 0.00 S ATOM 8 CE MET A 1 4.422 3.131 0.552 1.00 0.00 C ATOM 0 H1 MET A 1 0.978 -0.677 0.735 1.00 0.00 H new ATOM 0 H2 MET A 1 1.022 -2.370 0.857 1.00 0.00 H new ATOM 0 H3 MET A 1 2.300 -1.441 1.477 1.00 0.00 H new ATOM 0 HA MET A 1 1.623 -2.115 -1.270 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.246 -0.254 -1.947 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.623 0.235 -1.502 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.454 0.796 0.792 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.078 0.378 0.282 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.655 4.166 0.300 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.918 3.098 1.518 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.345 2.553 0.604 1.00 0.00 H new ATOM 18 N THR A 2 4.050 -2.905 -1.575 1.00 0.00 N ATOM 19 CA THR A 2 5.289 -3.672 -1.595 1.00 0.00 C ATOM 20 C THR A 2 6.483 -2.780 -1.913 1.00 0.00 C ATOM 21 O THR A 2 6.377 -1.843 -2.703 1.00 0.00 O ATOM 22 CB THR A 2 5.226 -4.814 -2.627 1.00 0.00 C ATOM 23 OG1 THR A 2 4.165 -5.716 -2.295 1.00 0.00 O ATOM 24 CG2 THR A 2 6.545 -5.570 -2.679 1.00 0.00 C ATOM 0 H THR A 2 3.589 -2.824 -2.481 1.00 0.00 H new ATOM 0 HA THR A 2 5.413 -4.098 -0.599 1.00 0.00 H new ATOM 0 HB THR A 2 5.037 -4.378 -3.608 1.00 0.00 H new ATOM 0 HG1 THR A 2 4.457 -6.638 -2.454 1.00 0.00 H new ATOM 0 HG21 THR A 2 6.476 -6.371 -3.415 1.00 0.00 H new ATOM 0 HG22 THR A 2 7.345 -4.886 -2.961 1.00 0.00 H new ATOM 0 HG23 THR A 2 6.760 -5.995 -1.698 1.00 0.00 H new ATOM 32 N ALA A 3 7.620 -3.078 -1.292 1.00 0.00 N ATOM 33 CA ALA A 3 8.836 -2.305 -1.512 1.00 0.00 C ATOM 34 C ALA A 3 10.074 -3.190 -1.420 1.00 0.00 C ATOM 35 O ALA A 3 10.377 -3.742 -0.362 1.00 0.00 O ATOM 36 CB ALA A 3 8.924 -1.164 -0.508 1.00 0.00 C ATOM 0 H ALA A 3 7.724 -3.849 -0.633 1.00 0.00 H new ATOM 0 HA ALA A 3 8.795 -1.888 -2.518 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.837 -0.595 -0.683 1.00 0.00 H new ATOM 0 HB2 ALA A 3 8.060 -0.510 -0.624 1.00 0.00 H new ATOM 0 HB3 ALA A 3 8.938 -1.570 0.504 1.00 0.00 H new ATOM 42 N TYR A 4 10.786 -3.320 -2.534 1.00 0.00 N ATOM 43 CA TYR A 4 11.990 -4.141 -2.580 1.00 0.00 C ATOM 44 C TYR A 4 13.221 -3.287 -2.867 1.00 0.00 C ATOM 45 O TYR A 4 13.298 -2.616 -3.896 1.00 0.00 O ATOM 46 CB TYR A 4 11.850 -5.230 -3.646 1.00 0.00 C ATOM 47 CG TYR A 4 11.013 -6.408 -3.202 1.00 0.00 C ATOM 48 CD1 TYR A 4 11.537 -7.377 -2.355 1.00 0.00 C ATOM 49 CD2 TYR A 4 9.700 -6.553 -3.630 1.00 0.00 C ATOM 50 CE1 TYR A 4 10.777 -8.456 -1.947 1.00 0.00 C ATOM 51 CE2 TYR A 4 8.931 -7.628 -3.226 1.00 0.00 C ATOM 52 CZ TYR A 4 9.474 -8.577 -2.385 1.00 0.00 C ATOM 53 OH TYR A 4 8.713 -9.649 -1.982 1.00 0.00 O ATOM 0 H TYR A 4 10.550 -2.867 -3.417 1.00 0.00 H new ATOM 0 HA TYR A 4 12.116 -4.611 -1.605 1.00 0.00 H new ATOM 0 HB2 TYR A 4 11.405 -4.795 -4.541 1.00 0.00 H new ATOM 0 HB3 TYR A 4 12.843 -5.584 -3.924 1.00 0.00 H new ATOM 0 HD1 TYR A 4 12.556 -7.285 -2.010 1.00 0.00 H new ATOM 0 HD2 TYR A 4 9.272 -5.813 -4.290 1.00 0.00 H new ATOM 0 HE1 TYR A 4 11.200 -9.201 -1.289 1.00 0.00 H new ATOM 0 HE2 TYR A 4 7.911 -7.724 -3.567 1.00 0.00 H new ATOM 0 HH TYR A 4 7.819 -9.583 -2.379 1.00 0.00 H new ATOM 63 N ARG A 5 14.182 -3.319 -1.949 1.00 0.00 N ATOM 64 CA ARG A 5 15.410 -2.548 -2.102 1.00 0.00 C ATOM 65 C ARG A 5 16.636 -3.429 -1.884 1.00 0.00 C ATOM 66 O ARG A 5 16.993 -3.743 -0.748 1.00 0.00 O ATOM 67 CB ARG A 5 15.428 -1.377 -1.118 1.00 0.00 C ATOM 68 CG ARG A 5 16.334 -0.234 -1.547 1.00 0.00 C ATOM 69 CD ARG A 5 17.780 -0.490 -1.151 1.00 0.00 C ATOM 70 NE ARG A 5 18.670 0.570 -1.616 1.00 0.00 N ATOM 71 CZ ARG A 5 19.955 0.646 -1.289 1.00 0.00 C ATOM 72 NH1 ARG A 5 20.497 -0.271 -0.500 1.00 0.00 N ATOM 73 NH2 ARG A 5 20.701 1.641 -1.752 1.00 0.00 N ATOM 0 H ARG A 5 14.134 -3.870 -1.092 1.00 0.00 H new ATOM 0 HA ARG A 5 15.441 -2.159 -3.120 1.00 0.00 H new ATOM 0 HB2 ARG A 5 14.413 -0.999 -0.998 1.00 0.00 H new ATOM 0 HB3 ARG A 5 15.751 -1.739 -0.142 1.00 0.00 H new ATOM 0 HG2 ARG A 5 16.269 -0.103 -2.627 1.00 0.00 H new ATOM 0 HG3 ARG A 5 15.990 0.695 -1.092 1.00 0.00 H new ATOM 0 HD2 ARG A 5 17.850 -0.572 -0.066 1.00 0.00 H new ATOM 0 HD3 ARG A 5 18.106 -1.444 -1.565 1.00 0.00 H new ATOM 0 HE ARG A 5 18.284 1.291 -2.225 1.00 0.00 H new ATOM 0 HH11 ARG A 5 19.927 -1.037 -0.142 1.00 0.00 H new ATOM 0 HH12 ARG A 5 21.484 -0.210 -0.251 1.00 0.00 H new ATOM 0 HH21 ARG A 5 20.288 2.348 -2.360 1.00 0.00 H new ATOM 0 HH22 ARG A 5 21.688 1.698 -1.500 1.00 0.00 H new ATOM 87 N CYS A 6 17.276 -3.825 -2.979 1.00 0.00 N ATOM 88 CA CYS A 6 18.462 -4.671 -2.908 1.00 0.00 C ATOM 89 C CYS A 6 19.352 -4.464 -4.129 1.00 0.00 C ATOM 90 O CYS A 6 19.247 -5.172 -5.131 1.00 0.00 O ATOM 91 CB CYS A 6 18.058 -6.142 -2.799 1.00 0.00 C ATOM 92 SG CYS A 6 19.224 -7.161 -1.865 1.00 0.00 S ATOM 0 H CYS A 6 16.993 -3.574 -3.926 1.00 0.00 H new ATOM 0 HA CYS A 6 19.026 -4.390 -2.019 1.00 0.00 H new ATOM 0 HB2 CYS A 6 17.078 -6.204 -2.326 1.00 0.00 H new ATOM 0 HB3 CYS A 6 17.955 -6.555 -3.803 1.00 0.00 H new ATOM 0 HG CYS A 6 19.046 -8.413 -2.169 1.00 0.00 H new ATOM 98 N PRO A 7 20.248 -3.470 -4.046 1.00 0.00 N ATOM 99 CA PRO A 7 21.173 -3.146 -5.136 1.00 0.00 C ATOM 100 C PRO A 7 22.237 -4.221 -5.333 1.00 0.00 C ATOM 101 O PRO A 7 22.996 -4.188 -6.302 1.00 0.00 O ATOM 102 CB PRO A 7 21.817 -1.835 -4.678 1.00 0.00 C ATOM 103 CG PRO A 7 21.708 -1.859 -3.192 1.00 0.00 C ATOM 104 CD PRO A 7 20.429 -2.587 -2.882 1.00 0.00 C ATOM 0 HA PRO A 7 20.661 -3.073 -6.096 1.00 0.00 H new ATOM 0 HB2 PRO A 7 22.857 -1.772 -4.998 1.00 0.00 H new ATOM 0 HB3 PRO A 7 21.301 -0.972 -5.099 1.00 0.00 H new ATOM 0 HG2 PRO A 7 22.564 -2.366 -2.746 1.00 0.00 H new ATOM 0 HG3 PRO A 7 21.690 -0.848 -2.786 1.00 0.00 H new ATOM 0 HD2 PRO A 7 20.505 -3.155 -1.955 1.00 0.00 H new ATOM 0 HD3 PRO A 7 19.592 -1.898 -2.766 1.00 0.00 H new ATOM 112 N VAL A 8 22.287 -5.174 -4.408 1.00 0.00 N ATOM 113 CA VAL A 8 23.257 -6.260 -4.480 1.00 0.00 C ATOM 114 C VAL A 8 22.983 -7.162 -5.678 1.00 0.00 C ATOM 115 O VAL A 8 23.862 -7.899 -6.128 1.00 0.00 O ATOM 116 CB VAL A 8 23.244 -7.111 -3.197 1.00 0.00 C ATOM 117 CG1 VAL A 8 24.333 -8.172 -3.248 1.00 0.00 C ATOM 118 CG2 VAL A 8 23.407 -6.227 -1.970 1.00 0.00 C ATOM 0 H VAL A 8 21.667 -5.216 -3.599 1.00 0.00 H new ATOM 0 HA VAL A 8 24.239 -5.800 -4.591 1.00 0.00 H new ATOM 0 HB VAL A 8 22.281 -7.617 -3.127 1.00 0.00 H new ATOM 0 HG11 VAL A 8 24.308 -8.763 -2.333 1.00 0.00 H new ATOM 0 HG12 VAL A 8 24.166 -8.824 -4.106 1.00 0.00 H new ATOM 0 HG13 VAL A 8 25.306 -7.690 -3.342 1.00 0.00 H new ATOM 0 HG21 VAL A 8 23.396 -6.845 -1.072 1.00 0.00 H new ATOM 0 HG22 VAL A 8 24.355 -5.692 -2.030 1.00 0.00 H new ATOM 0 HG23 VAL A 8 22.588 -5.510 -1.927 1.00 0.00 H new ATOM 128 N CYS A 9 21.759 -7.100 -6.191 1.00 0.00 N ATOM 129 CA CYS A 9 21.369 -7.912 -7.338 1.00 0.00 C ATOM 130 C CYS A 9 20.993 -7.032 -8.525 1.00 0.00 C ATOM 131 O CYS A 9 21.561 -7.160 -9.610 1.00 0.00 O ATOM 132 CB CYS A 9 20.194 -8.820 -6.970 1.00 0.00 C ATOM 133 SG CYS A 9 20.214 -9.394 -5.255 1.00 0.00 S ATOM 0 H CYS A 9 21.020 -6.496 -5.831 1.00 0.00 H new ATOM 0 HA CYS A 9 22.222 -8.529 -7.622 1.00 0.00 H new ATOM 0 HB2 CYS A 9 19.263 -8.283 -7.151 1.00 0.00 H new ATOM 0 HB3 CYS A 9 20.197 -9.686 -7.632 1.00 0.00 H new ATOM 0 HG CYS A 9 19.010 -9.347 -4.768 1.00 0.00 H new ATOM 139 N ASP A 10 20.032 -6.139 -8.312 1.00 0.00 N ATOM 140 CA ASP A 10 19.580 -5.237 -9.365 1.00 0.00 C ATOM 141 C ASP A 10 19.034 -3.942 -8.773 1.00 0.00 C ATOM 142 O ASP A 10 18.703 -3.880 -7.589 1.00 0.00 O ATOM 143 CB ASP A 10 18.508 -5.914 -10.220 1.00 0.00 C ATOM 144 CG ASP A 10 17.262 -6.253 -9.425 1.00 0.00 C ATOM 145 OD1 ASP A 10 16.578 -5.315 -8.965 1.00 0.00 O ATOM 146 OD2 ASP A 10 16.971 -7.457 -9.265 1.00 0.00 O ATOM 0 H ASP A 10 19.551 -6.021 -7.420 1.00 0.00 H new ATOM 0 HA ASP A 10 20.436 -4.995 -9.995 1.00 0.00 H new ATOM 0 HB2 ASP A 10 18.240 -5.258 -11.048 1.00 0.00 H new ATOM 0 HB3 ASP A 10 18.917 -6.826 -10.655 1.00 0.00 H new ATOM 151 N TYR A 11 18.943 -2.910 -9.605 1.00 0.00 N ATOM 152 CA TYR A 11 18.440 -1.614 -9.163 1.00 0.00 C ATOM 153 C TYR A 11 17.176 -1.778 -8.324 1.00 0.00 C ATOM 154 O TYR A 11 16.474 -2.785 -8.426 1.00 0.00 O ATOM 155 CB TYR A 11 18.153 -0.717 -10.368 1.00 0.00 C ATOM 156 CG TYR A 11 19.399 -0.160 -11.018 1.00 0.00 C ATOM 157 CD1 TYR A 11 20.364 0.500 -10.267 1.00 0.00 C ATOM 158 CD2 TYR A 11 19.613 -0.295 -12.385 1.00 0.00 C ATOM 159 CE1 TYR A 11 21.503 1.011 -10.857 1.00 0.00 C ATOM 160 CE2 TYR A 11 20.750 0.211 -12.984 1.00 0.00 C ATOM 161 CZ TYR A 11 21.692 0.864 -12.216 1.00 0.00 C ATOM 162 OH TYR A 11 22.827 1.370 -12.808 1.00 0.00 O ATOM 0 H TYR A 11 19.211 -2.946 -10.589 1.00 0.00 H new ATOM 0 HA TYR A 11 19.207 -1.146 -8.545 1.00 0.00 H new ATOM 0 HB2 TYR A 11 17.590 -1.286 -11.108 1.00 0.00 H new ATOM 0 HB3 TYR A 11 17.518 0.110 -10.052 1.00 0.00 H new ATOM 0 HD1 TYR A 11 20.221 0.615 -9.203 1.00 0.00 H new ATOM 0 HD2 TYR A 11 18.877 -0.805 -12.989 1.00 0.00 H new ATOM 0 HE1 TYR A 11 22.242 1.523 -10.258 1.00 0.00 H new ATOM 0 HE2 TYR A 11 20.901 0.096 -14.047 1.00 0.00 H new ATOM 0 HH TYR A 11 22.806 1.181 -13.769 1.00 0.00 H new ATOM 172 N THR A 12 16.891 -0.779 -7.494 1.00 0.00 N ATOM 173 CA THR A 12 15.713 -0.811 -6.636 1.00 0.00 C ATOM 174 C THR A 12 14.649 0.163 -7.129 1.00 0.00 C ATOM 175 O THR A 12 14.947 1.314 -7.451 1.00 0.00 O ATOM 176 CB THR A 12 16.071 -0.468 -5.178 1.00 0.00 C ATOM 177 OG1 THR A 12 16.258 0.944 -5.038 1.00 0.00 O ATOM 178 CG2 THR A 12 17.333 -1.198 -4.745 1.00 0.00 C ATOM 0 H THR A 12 17.460 0.062 -7.398 1.00 0.00 H new ATOM 0 HA THR A 12 15.319 -1.827 -6.676 1.00 0.00 H new ATOM 0 HB THR A 12 15.248 -0.789 -4.540 1.00 0.00 H new ATOM 0 HG1 THR A 12 16.908 1.119 -4.326 1.00 0.00 H new ATOM 0 HG21 THR A 12 17.566 -0.940 -3.712 1.00 0.00 H new ATOM 0 HG22 THR A 12 17.176 -2.274 -4.824 1.00 0.00 H new ATOM 0 HG23 THR A 12 18.162 -0.904 -5.388 1.00 0.00 H new ATOM 186 N TYR A 13 13.407 -0.304 -7.184 1.00 0.00 N ATOM 187 CA TYR A 13 12.297 0.526 -7.640 1.00 0.00 C ATOM 188 C TYR A 13 11.003 0.142 -6.929 1.00 0.00 C ATOM 189 O TYR A 13 10.431 -0.917 -7.186 1.00 0.00 O ATOM 190 CB TYR A 13 12.120 0.392 -9.153 1.00 0.00 C ATOM 191 CG TYR A 13 13.360 0.750 -9.942 1.00 0.00 C ATOM 192 CD1 TYR A 13 13.810 2.062 -10.009 1.00 0.00 C ATOM 193 CD2 TYR A 13 14.082 -0.226 -10.618 1.00 0.00 C ATOM 194 CE1 TYR A 13 14.941 2.393 -10.729 1.00 0.00 C ATOM 195 CE2 TYR A 13 15.216 0.096 -11.339 1.00 0.00 C ATOM 196 CZ TYR A 13 15.641 1.407 -11.392 1.00 0.00 C ATOM 197 OH TYR A 13 16.769 1.732 -12.109 1.00 0.00 O ATOM 0 H TYR A 13 13.143 -1.253 -6.919 1.00 0.00 H new ATOM 0 HA TYR A 13 12.529 1.563 -7.399 1.00 0.00 H new ATOM 0 HB2 TYR A 13 11.834 -0.633 -9.387 1.00 0.00 H new ATOM 0 HB3 TYR A 13 11.299 1.033 -9.472 1.00 0.00 H new ATOM 0 HD1 TYR A 13 13.266 2.837 -9.489 1.00 0.00 H new ATOM 0 HD2 TYR A 13 13.751 -1.253 -10.579 1.00 0.00 H new ATOM 0 HE1 TYR A 13 15.276 3.419 -10.773 1.00 0.00 H new ATOM 0 HE2 TYR A 13 15.766 -0.675 -11.858 1.00 0.00 H new ATOM 0 HH TYR A 13 16.844 1.140 -12.886 1.00 0.00 H new ATOM 207 N ASP A 14 10.547 1.012 -6.035 1.00 0.00 N ATOM 208 CA ASP A 14 9.319 0.767 -5.287 1.00 0.00 C ATOM 209 C ASP A 14 8.099 0.872 -6.196 1.00 0.00 C ATOM 210 O ASP A 14 8.116 1.595 -7.192 1.00 0.00 O ATOM 211 CB ASP A 14 9.195 1.759 -4.130 1.00 0.00 C ATOM 212 CG ASP A 14 7.937 1.541 -3.312 1.00 0.00 C ATOM 213 OD1 ASP A 14 7.703 0.394 -2.877 1.00 0.00 O ATOM 214 OD2 ASP A 14 7.187 2.518 -3.107 1.00 0.00 O ATOM 0 H ASP A 14 11.009 1.893 -5.810 1.00 0.00 H new ATOM 0 HA ASP A 14 9.364 -0.245 -4.885 1.00 0.00 H new ATOM 0 HB2 ASP A 14 10.067 1.667 -3.482 1.00 0.00 H new ATOM 0 HB3 ASP A 14 9.197 2.775 -4.525 1.00 0.00 H new ATOM 219 N GLU A 15 7.042 0.145 -5.847 1.00 0.00 N ATOM 220 CA GLU A 15 5.814 0.156 -6.634 1.00 0.00 C ATOM 221 C GLU A 15 5.309 1.582 -6.833 1.00 0.00 C ATOM 222 O GLU A 15 4.839 1.941 -7.913 1.00 0.00 O ATOM 223 CB GLU A 15 4.737 -0.688 -5.950 1.00 0.00 C ATOM 224 CG GLU A 15 4.006 -1.625 -6.897 1.00 0.00 C ATOM 225 CD GLU A 15 2.700 -1.044 -7.401 1.00 0.00 C ATOM 226 OE1 GLU A 15 2.473 0.168 -7.201 1.00 0.00 O ATOM 227 OE2 GLU A 15 1.905 -1.801 -7.996 1.00 0.00 O ATOM 0 H GLU A 15 7.011 -0.458 -5.025 1.00 0.00 H new ATOM 0 HA GLU A 15 6.034 -0.273 -7.612 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.197 -1.275 -5.155 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.013 -0.024 -5.478 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.650 -1.852 -7.747 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.807 -2.568 -6.387 1.00 0.00 H new ATOM 234 N GLY A 16 5.408 2.392 -5.783 1.00 0.00 N ATOM 235 CA GLY A 16 4.957 3.769 -5.863 1.00 0.00 C ATOM 236 C GLY A 16 6.043 4.708 -6.349 1.00 0.00 C ATOM 237 O GLY A 16 5.907 5.928 -6.256 1.00 0.00 O ATOM 0 H GLY A 16 5.792 2.119 -4.879 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.101 3.829 -6.536 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.614 4.093 -4.881 1.00 0.00 H new ATOM 241 N LYS A 17 7.125 4.139 -6.868 1.00 0.00 N ATOM 242 CA LYS A 17 8.240 4.933 -7.371 1.00 0.00 C ATOM 243 C LYS A 17 8.037 5.288 -8.840 1.00 0.00 C ATOM 244 O LYS A 17 8.183 6.444 -9.235 1.00 0.00 O ATOM 245 CB LYS A 17 9.555 4.169 -7.197 1.00 0.00 C ATOM 246 CG LYS A 17 10.749 5.068 -6.926 1.00 0.00 C ATOM 247 CD LYS A 17 10.841 5.445 -5.457 1.00 0.00 C ATOM 248 CE LYS A 17 12.201 6.036 -5.117 1.00 0.00 C ATOM 249 NZ LYS A 17 12.532 5.872 -3.674 1.00 0.00 N ATOM 0 H LYS A 17 7.254 3.131 -6.952 1.00 0.00 H new ATOM 0 HA LYS A 17 8.284 5.858 -6.795 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.449 3.462 -6.374 1.00 0.00 H new ATOM 0 HB3 LYS A 17 9.748 3.584 -8.097 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.664 4.560 -7.230 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.670 5.972 -7.530 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.059 6.165 -5.216 1.00 0.00 H new ATOM 0 HD3 LYS A 17 10.662 4.563 -4.842 1.00 0.00 H new ATOM 0 HE2 LYS A 17 12.968 5.554 -5.723 1.00 0.00 H new ATOM 0 HE3 LYS A 17 12.211 7.095 -5.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 13.466 6.287 -3.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 11.814 6.354 -3.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 12.548 4.860 -3.434 1.00 0.00 H new ATOM 263 N GLY A 18 7.696 4.286 -9.645 1.00 0.00 N ATOM 264 CA GLY A 18 7.477 4.515 -11.061 1.00 0.00 C ATOM 265 C GLY A 18 8.731 4.299 -11.885 1.00 0.00 C ATOM 266 O GLY A 18 9.092 3.163 -12.192 1.00 0.00 O ATOM 0 H GLY A 18 7.568 3.321 -9.342 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.693 3.847 -11.417 1.00 0.00 H new ATOM 0 HA3 GLY A 18 7.119 5.534 -11.210 1.00 0.00 H new ATOM 270 N ASP A 19 9.395 5.392 -12.245 1.00 0.00 N ATOM 271 CA ASP A 19 10.616 5.317 -13.039 1.00 0.00 C ATOM 272 C ASP A 19 10.334 4.723 -14.415 1.00 0.00 C ATOM 273 O ASP A 19 10.680 3.578 -14.707 1.00 0.00 O ATOM 274 CB ASP A 19 11.671 4.479 -12.314 1.00 0.00 C ATOM 275 CG ASP A 19 11.635 4.677 -10.812 1.00 0.00 C ATOM 276 OD1 ASP A 19 12.247 5.652 -10.327 1.00 0.00 O ATOM 277 OD2 ASP A 19 10.996 3.857 -10.121 1.00 0.00 O ATOM 0 H ASP A 19 9.109 6.340 -12.000 1.00 0.00 H new ATOM 0 HA ASP A 19 10.996 6.330 -13.172 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.514 3.425 -12.543 1.00 0.00 H new ATOM 0 HB3 ASP A 19 12.660 4.742 -12.689 1.00 0.00 H new ATOM 282 N PRO A 20 9.690 5.519 -15.282 1.00 0.00 N ATOM 283 CA PRO A 20 9.346 5.093 -16.642 1.00 0.00 C ATOM 284 C PRO A 20 10.576 4.952 -17.534 1.00 0.00 C ATOM 285 O PRO A 20 10.518 4.327 -18.593 1.00 0.00 O ATOM 286 CB PRO A 20 8.444 6.220 -17.150 1.00 0.00 C ATOM 287 CG PRO A 20 8.846 7.414 -16.355 1.00 0.00 C ATOM 288 CD PRO A 20 9.248 6.895 -15.002 1.00 0.00 C ATOM 0 HA PRO A 20 8.872 4.111 -16.654 1.00 0.00 H new ATOM 0 HB2 PRO A 20 8.585 6.389 -18.217 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.391 5.982 -17.001 1.00 0.00 H new ATOM 0 HG2 PRO A 20 9.673 7.940 -16.832 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.022 8.123 -16.272 1.00 0.00 H new ATOM 0 HD2 PRO A 20 10.047 7.492 -14.564 1.00 0.00 H new ATOM 0 HD3 PRO A 20 8.414 6.914 -14.300 1.00 0.00 H new ATOM 296 N ARG A 21 11.687 5.536 -17.098 1.00 0.00 N ATOM 297 CA ARG A 21 12.930 5.477 -17.857 1.00 0.00 C ATOM 298 C ARG A 21 13.454 4.046 -17.930 1.00 0.00 C ATOM 299 O ARG A 21 14.209 3.697 -18.837 1.00 0.00 O ATOM 300 CB ARG A 21 13.984 6.386 -17.223 1.00 0.00 C ATOM 301 CG ARG A 21 13.964 7.808 -17.758 1.00 0.00 C ATOM 302 CD ARG A 21 12.606 8.461 -17.552 1.00 0.00 C ATOM 303 NE ARG A 21 11.677 8.146 -18.634 1.00 0.00 N ATOM 304 CZ ARG A 21 11.765 8.666 -19.853 1.00 0.00 C ATOM 305 NH1 ARG A 21 12.736 9.522 -20.144 1.00 0.00 N ATOM 306 NH2 ARG A 21 10.882 8.331 -20.785 1.00 0.00 N ATOM 0 H ARG A 21 11.752 6.056 -16.223 1.00 0.00 H new ATOM 0 HA ARG A 21 12.725 5.823 -18.870 1.00 0.00 H new ATOM 0 HB2 ARG A 21 13.829 6.411 -16.144 1.00 0.00 H new ATOM 0 HB3 ARG A 21 14.971 5.957 -17.393 1.00 0.00 H new ATOM 0 HG2 ARG A 21 14.732 8.397 -17.257 1.00 0.00 H new ATOM 0 HG3 ARG A 21 14.209 7.802 -18.820 1.00 0.00 H new ATOM 0 HD2 ARG A 21 12.184 8.128 -16.604 1.00 0.00 H new ATOM 0 HD3 ARG A 21 12.730 9.542 -17.484 1.00 0.00 H new ATOM 0 HE ARG A 21 10.919 7.491 -18.443 1.00 0.00 H new ATOM 0 HH11 ARG A 21 13.417 9.782 -19.431 1.00 0.00 H new ATOM 0 HH12 ARG A 21 12.801 9.920 -21.081 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.134 7.673 -20.566 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.951 8.731 -21.721 1.00 0.00 H new ATOM 320 N GLU A 22 13.049 3.222 -16.968 1.00 0.00 N ATOM 321 CA GLU A 22 13.479 1.830 -16.923 1.00 0.00 C ATOM 322 C GLU A 22 12.447 0.920 -17.583 1.00 0.00 C ATOM 323 O GLU A 22 12.353 -0.264 -17.263 1.00 0.00 O ATOM 324 CB GLU A 22 13.711 1.391 -15.476 1.00 0.00 C ATOM 325 CG GLU A 22 14.603 2.336 -14.689 1.00 0.00 C ATOM 326 CD GLU A 22 16.058 2.250 -15.109 1.00 0.00 C ATOM 327 OE1 GLU A 22 16.635 1.146 -15.028 1.00 0.00 O ATOM 328 OE2 GLU A 22 16.619 3.288 -15.518 1.00 0.00 O ATOM 0 H GLU A 22 12.424 3.495 -16.210 1.00 0.00 H new ATOM 0 HA GLU A 22 14.416 1.748 -17.474 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.748 1.309 -14.971 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.158 0.397 -15.474 1.00 0.00 H new ATOM 0 HG2 GLU A 22 14.250 3.359 -14.822 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.521 2.107 -13.627 1.00 0.00 H new ATOM 335 N GLY A 23 11.673 1.483 -18.506 1.00 0.00 N ATOM 336 CA GLY A 23 10.657 0.710 -19.195 1.00 0.00 C ATOM 337 C GLY A 23 9.522 0.297 -18.280 1.00 0.00 C ATOM 338 O GLY A 23 8.769 -0.627 -18.590 1.00 0.00 O ATOM 0 H GLY A 23 11.732 2.461 -18.789 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.257 1.297 -20.022 1.00 0.00 H new ATOM 0 HA3 GLY A 23 11.113 -0.181 -19.627 1.00 0.00 H new ATOM 342 N PHE A 24 9.398 0.981 -17.147 1.00 0.00 N ATOM 343 CA PHE A 24 8.348 0.678 -16.182 1.00 0.00 C ATOM 344 C PHE A 24 7.766 1.959 -15.592 1.00 0.00 C ATOM 345 O PHE A 24 8.166 2.417 -14.521 1.00 0.00 O ATOM 346 CB PHE A 24 8.895 -0.210 -15.063 1.00 0.00 C ATOM 347 CG PHE A 24 9.515 -1.485 -15.558 1.00 0.00 C ATOM 348 CD1 PHE A 24 8.766 -2.398 -16.283 1.00 0.00 C ATOM 349 CD2 PHE A 24 10.845 -1.772 -15.298 1.00 0.00 C ATOM 350 CE1 PHE A 24 9.333 -3.573 -16.741 1.00 0.00 C ATOM 351 CE2 PHE A 24 11.418 -2.944 -15.753 1.00 0.00 C ATOM 352 CZ PHE A 24 10.660 -3.847 -16.475 1.00 0.00 C ATOM 0 H PHE A 24 10.012 1.749 -16.875 1.00 0.00 H new ATOM 0 HA PHE A 24 7.553 0.145 -16.703 1.00 0.00 H new ATOM 0 HB2 PHE A 24 9.639 0.350 -14.496 1.00 0.00 H new ATOM 0 HB3 PHE A 24 8.086 -0.452 -14.374 1.00 0.00 H new ATOM 0 HD1 PHE A 24 7.727 -2.189 -16.493 1.00 0.00 H new ATOM 0 HD2 PHE A 24 11.441 -1.071 -14.733 1.00 0.00 H new ATOM 0 HE1 PHE A 24 8.739 -4.276 -17.306 1.00 0.00 H new ATOM 0 HE2 PHE A 24 12.457 -3.154 -15.545 1.00 0.00 H new ATOM 0 HZ PHE A 24 11.105 -4.765 -16.830 1.00 0.00 H new ATOM 362 N PRO A 25 6.799 2.554 -16.307 1.00 0.00 N ATOM 363 CA PRO A 25 6.141 3.790 -15.874 1.00 0.00 C ATOM 364 C PRO A 25 5.246 3.576 -14.658 1.00 0.00 C ATOM 365 O PRO A 25 5.200 2.483 -14.095 1.00 0.00 O ATOM 366 CB PRO A 25 5.303 4.190 -17.091 1.00 0.00 C ATOM 367 CG PRO A 25 5.052 2.913 -17.815 1.00 0.00 C ATOM 368 CD PRO A 25 6.273 2.064 -17.592 1.00 0.00 C ATOM 0 HA PRO A 25 6.861 4.549 -15.566 1.00 0.00 H new ATOM 0 HB2 PRO A 25 4.369 4.664 -16.790 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.835 4.904 -17.720 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.158 2.418 -17.435 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.890 3.092 -18.878 1.00 0.00 H new ATOM 0 HD2 PRO A 25 6.023 1.004 -17.546 1.00 0.00 H new ATOM 0 HD3 PRO A 25 6.999 2.185 -18.396 1.00 0.00 H new ATOM 376 N ALA A 26 4.536 4.626 -14.260 1.00 0.00 N ATOM 377 CA ALA A 26 3.640 4.551 -13.112 1.00 0.00 C ATOM 378 C ALA A 26 2.639 3.413 -13.271 1.00 0.00 C ATOM 379 O ALA A 26 2.080 3.210 -14.348 1.00 0.00 O ATOM 380 CB ALA A 26 2.913 5.874 -12.923 1.00 0.00 C ATOM 0 H ALA A 26 4.564 5.538 -14.715 1.00 0.00 H new ATOM 0 HA ALA A 26 4.241 4.350 -12.225 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.248 5.804 -12.063 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.640 6.668 -12.755 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.329 6.099 -13.816 1.00 0.00 H new ATOM 386 N GLY A 27 2.417 2.671 -12.190 1.00 0.00 N ATOM 387 CA GLY A 27 1.482 1.561 -12.231 1.00 0.00 C ATOM 388 C GLY A 27 2.180 0.215 -12.224 1.00 0.00 C ATOM 389 O GLY A 27 1.675 -0.753 -11.656 1.00 0.00 O ATOM 0 H GLY A 27 2.868 2.819 -11.287 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.811 1.623 -11.374 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.865 1.642 -13.126 1.00 0.00 H new ATOM 393 N THR A 28 3.346 0.152 -12.860 1.00 0.00 N ATOM 394 CA THR A 28 4.113 -1.085 -12.928 1.00 0.00 C ATOM 395 C THR A 28 4.315 -1.684 -11.541 1.00 0.00 C ATOM 396 O THR A 28 4.668 -0.979 -10.596 1.00 0.00 O ATOM 397 CB THR A 28 5.489 -0.858 -13.582 1.00 0.00 C ATOM 398 OG1 THR A 28 5.329 -0.209 -14.848 1.00 0.00 O ATOM 399 CG2 THR A 28 6.223 -2.177 -13.772 1.00 0.00 C ATOM 0 H THR A 28 3.779 0.944 -13.335 1.00 0.00 H new ATOM 0 HA THR A 28 3.538 -1.780 -13.540 1.00 0.00 H new ATOM 0 HB THR A 28 6.080 -0.224 -12.921 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.269 0.760 -14.714 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.192 -1.991 -14.235 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.370 -2.654 -12.803 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.634 -2.832 -14.414 1.00 0.00 H new ATOM 407 N ARG A 29 4.090 -2.989 -11.426 1.00 0.00 N ATOM 408 CA ARG A 29 4.247 -3.682 -10.154 1.00 0.00 C ATOM 409 C ARG A 29 5.432 -4.643 -10.200 1.00 0.00 C ATOM 410 O ARG A 29 5.871 -5.050 -11.276 1.00 0.00 O ATOM 411 CB ARG A 29 2.969 -4.448 -9.804 1.00 0.00 C ATOM 412 CG ARG A 29 2.366 -5.196 -10.982 1.00 0.00 C ATOM 413 CD ARG A 29 1.344 -4.344 -11.719 1.00 0.00 C ATOM 414 NE ARG A 29 0.006 -4.481 -11.149 1.00 0.00 N ATOM 415 CZ ARG A 29 -0.795 -5.512 -11.392 1.00 0.00 C ATOM 416 NH1 ARG A 29 -0.395 -6.493 -12.191 1.00 0.00 N ATOM 417 NH2 ARG A 29 -1.998 -5.565 -10.837 1.00 0.00 N ATOM 0 H ARG A 29 3.798 -3.587 -12.199 1.00 0.00 H new ATOM 0 HA ARG A 29 4.437 -2.935 -9.384 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.188 -5.158 -9.007 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.231 -3.748 -9.413 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.158 -5.493 -11.670 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.891 -6.111 -10.629 1.00 0.00 H new ATOM 0 HD2 ARG A 29 1.649 -3.298 -11.682 1.00 0.00 H new ATOM 0 HD3 ARG A 29 1.322 -4.632 -12.770 1.00 0.00 H new ATOM 0 HE ARG A 29 -0.332 -3.744 -10.530 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.530 -6.456 -12.620 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.012 -7.284 -12.376 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.310 -4.813 -10.222 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.612 -6.358 -11.025 1.00 0.00 H new ATOM 431 N TRP A 30 5.943 -5.001 -9.028 1.00 0.00 N ATOM 432 CA TRP A 30 7.077 -5.913 -8.936 1.00 0.00 C ATOM 433 C TRP A 30 6.696 -7.306 -9.426 1.00 0.00 C ATOM 434 O TRP A 30 7.563 -8.145 -9.673 1.00 0.00 O ATOM 435 CB TRP A 30 7.582 -5.987 -7.494 1.00 0.00 C ATOM 436 CG TRP A 30 6.552 -6.489 -6.528 1.00 0.00 C ATOM 437 CD1 TRP A 30 5.580 -5.755 -5.911 1.00 0.00 C ATOM 438 CD2 TRP A 30 6.394 -7.836 -6.068 1.00 0.00 C ATOM 439 NE1 TRP A 30 4.827 -6.564 -5.095 1.00 0.00 N ATOM 440 CE2 TRP A 30 5.305 -7.845 -5.174 1.00 0.00 C ATOM 441 CE3 TRP A 30 7.064 -9.035 -6.325 1.00 0.00 C ATOM 442 CZ2 TRP A 30 4.875 -9.006 -4.537 1.00 0.00 C ATOM 443 CZ3 TRP A 30 6.636 -10.186 -5.692 1.00 0.00 C ATOM 444 CH2 TRP A 30 5.550 -10.166 -4.808 1.00 0.00 C ATOM 0 H TRP A 30 5.590 -4.674 -8.128 1.00 0.00 H new ATOM 0 HA TRP A 30 7.873 -5.529 -9.574 1.00 0.00 H new ATOM 0 HB2 TRP A 30 8.454 -6.639 -7.455 1.00 0.00 H new ATOM 0 HB3 TRP A 30 7.911 -4.996 -7.181 1.00 0.00 H new ATOM 0 HD1 TRP A 30 5.426 -4.694 -6.045 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.039 -6.260 -4.523 1.00 0.00 H new ATOM 0 HE3 TRP A 30 7.902 -9.061 -7.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.039 -8.992 -3.854 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 7.148 -11.118 -5.882 1.00 0.00 H new ATOM 0 HH2 TRP A 30 5.239 -11.083 -4.331 1.00 0.00 H new ATOM 455 N ASP A 31 5.397 -7.545 -9.564 1.00 0.00 N ATOM 456 CA ASP A 31 4.902 -8.837 -10.026 1.00 0.00 C ATOM 457 C ASP A 31 4.886 -8.899 -11.550 1.00 0.00 C ATOM 458 O ASP A 31 4.968 -9.977 -12.137 1.00 0.00 O ATOM 459 CB ASP A 31 3.498 -9.095 -9.477 1.00 0.00 C ATOM 460 CG ASP A 31 2.891 -10.374 -10.020 1.00 0.00 C ATOM 461 OD1 ASP A 31 2.414 -10.361 -11.173 1.00 0.00 O ATOM 462 OD2 ASP A 31 2.892 -11.388 -9.290 1.00 0.00 O ATOM 0 H ASP A 31 4.667 -6.861 -9.363 1.00 0.00 H new ATOM 0 HA ASP A 31 5.575 -9.610 -9.656 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.541 -9.150 -8.389 1.00 0.00 H new ATOM 0 HB3 ASP A 31 2.852 -8.254 -9.729 1.00 0.00 H new ATOM 467 N GLN A 32 4.777 -7.736 -12.183 1.00 0.00 N ATOM 468 CA GLN A 32 4.748 -7.659 -13.639 1.00 0.00 C ATOM 469 C GLN A 32 6.128 -7.935 -14.227 1.00 0.00 C ATOM 470 O GLN A 32 6.249 -8.364 -15.375 1.00 0.00 O ATOM 471 CB GLN A 32 4.255 -6.282 -14.088 1.00 0.00 C ATOM 472 CG GLN A 32 3.998 -6.186 -15.583 1.00 0.00 C ATOM 473 CD GLN A 32 2.608 -6.653 -15.967 1.00 0.00 C ATOM 474 OE1 GLN A 32 1.716 -5.843 -16.222 1.00 0.00 O ATOM 475 NE2 GLN A 32 2.416 -7.966 -16.012 1.00 0.00 N ATOM 0 H GLN A 32 4.707 -6.834 -11.711 1.00 0.00 H new ATOM 0 HA GLN A 32 4.059 -8.421 -14.004 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.336 -6.042 -13.554 1.00 0.00 H new ATOM 0 HB3 GLN A 32 4.993 -5.531 -13.806 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.132 -5.153 -15.905 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.738 -6.785 -16.114 1.00 0.00 H new ATOM 0 HE21 GLN A 32 3.183 -8.601 -15.793 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.501 -8.339 -16.266 1.00 0.00 H new ATOM 484 N ILE A 33 7.164 -7.686 -13.433 1.00 0.00 N ATOM 485 CA ILE A 33 8.535 -7.908 -13.876 1.00 0.00 C ATOM 486 C ILE A 33 8.709 -9.313 -14.441 1.00 0.00 C ATOM 487 O ILE A 33 8.277 -10.304 -13.852 1.00 0.00 O ATOM 488 CB ILE A 33 9.538 -7.702 -12.725 1.00 0.00 C ATOM 489 CG1 ILE A 33 9.379 -6.304 -12.125 1.00 0.00 C ATOM 490 CG2 ILE A 33 10.961 -7.913 -13.219 1.00 0.00 C ATOM 491 CD1 ILE A 33 9.646 -5.189 -13.111 1.00 0.00 C ATOM 0 H ILE A 33 7.080 -7.331 -12.481 1.00 0.00 H new ATOM 0 HA ILE A 33 8.737 -7.177 -14.659 1.00 0.00 H new ATOM 0 HB ILE A 33 9.331 -8.437 -11.947 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.367 -6.198 -11.735 1.00 0.00 H new ATOM 0 HG13 ILE A 33 10.059 -6.201 -11.280 1.00 0.00 H new ATOM 0 HG21 ILE A 33 11.658 -7.764 -12.395 1.00 0.00 H new ATOM 0 HG22 ILE A 33 11.066 -8.927 -13.604 1.00 0.00 H new ATOM 0 HG23 ILE A 33 11.180 -7.199 -14.013 1.00 0.00 H new ATOM 0 HD11 ILE A 33 9.515 -4.227 -12.616 1.00 0.00 H new ATOM 0 HD12 ILE A 33 10.667 -5.269 -13.483 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.949 -5.266 -13.945 1.00 0.00 H new ATOM 503 N PRO A 34 9.358 -9.404 -15.611 1.00 0.00 N ATOM 504 CA PRO A 34 9.607 -10.684 -16.282 1.00 0.00 C ATOM 505 C PRO A 34 10.626 -11.540 -15.538 1.00 0.00 C ATOM 506 O PRO A 34 11.698 -11.062 -15.166 1.00 0.00 O ATOM 507 CB PRO A 34 10.154 -10.268 -17.649 1.00 0.00 C ATOM 508 CG PRO A 34 10.748 -8.920 -17.425 1.00 0.00 C ATOM 509 CD PRO A 34 9.900 -8.264 -16.370 1.00 0.00 C ATOM 0 HA PRO A 34 8.707 -11.297 -16.337 1.00 0.00 H new ATOM 0 HB2 PRO A 34 10.902 -10.975 -18.008 1.00 0.00 H new ATOM 0 HB3 PRO A 34 9.363 -10.233 -18.398 1.00 0.00 H new ATOM 0 HG2 PRO A 34 11.785 -9.000 -17.098 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.748 -8.336 -18.345 1.00 0.00 H new ATOM 0 HD2 PRO A 34 10.489 -7.602 -15.735 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.106 -7.660 -16.810 1.00 0.00 H new ATOM 517 N ASP A 35 10.285 -12.806 -15.324 1.00 0.00 N ATOM 518 CA ASP A 35 11.172 -13.729 -14.625 1.00 0.00 C ATOM 519 C ASP A 35 12.361 -14.109 -15.502 1.00 0.00 C ATOM 520 O ASP A 35 13.374 -14.605 -15.010 1.00 0.00 O ATOM 521 CB ASP A 35 10.408 -14.986 -14.207 1.00 0.00 C ATOM 522 CG ASP A 35 10.087 -15.887 -15.384 1.00 0.00 C ATOM 523 OD1 ASP A 35 9.608 -15.368 -16.414 1.00 0.00 O ATOM 524 OD2 ASP A 35 10.314 -17.110 -15.274 1.00 0.00 O ATOM 0 H ASP A 35 9.401 -13.217 -15.624 1.00 0.00 H new ATOM 0 HA ASP A 35 11.547 -13.228 -13.733 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.999 -15.541 -13.479 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.481 -14.696 -13.711 1.00 0.00 H new ATOM 529 N ASP A 36 12.228 -13.875 -16.803 1.00 0.00 N ATOM 530 CA ASP A 36 13.292 -14.192 -17.749 1.00 0.00 C ATOM 531 C ASP A 36 14.385 -13.129 -17.716 1.00 0.00 C ATOM 532 O ASP A 36 15.496 -13.352 -18.198 1.00 0.00 O ATOM 533 CB ASP A 36 12.724 -14.314 -19.165 1.00 0.00 C ATOM 534 CG ASP A 36 11.819 -15.520 -19.324 1.00 0.00 C ATOM 535 OD1 ASP A 36 11.923 -16.452 -18.500 1.00 0.00 O ATOM 536 OD2 ASP A 36 11.008 -15.531 -20.273 1.00 0.00 O ATOM 0 H ASP A 36 11.395 -13.467 -17.227 1.00 0.00 H new ATOM 0 HA ASP A 36 13.731 -15.146 -17.458 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.166 -13.410 -19.409 1.00 0.00 H new ATOM 0 HB3 ASP A 36 13.545 -14.383 -19.878 1.00 0.00 H new ATOM 541 N TRP A 37 14.062 -11.974 -17.145 1.00 0.00 N ATOM 542 CA TRP A 37 15.017 -10.876 -17.050 1.00 0.00 C ATOM 543 C TRP A 37 16.332 -11.349 -16.439 1.00 0.00 C ATOM 544 O TRP A 37 16.339 -12.080 -15.448 1.00 0.00 O ATOM 545 CB TRP A 37 14.433 -9.736 -16.213 1.00 0.00 C ATOM 546 CG TRP A 37 14.762 -8.376 -16.751 1.00 0.00 C ATOM 547 CD1 TRP A 37 15.566 -7.438 -16.170 1.00 0.00 C ATOM 548 CD2 TRP A 37 14.292 -7.802 -17.975 1.00 0.00 C ATOM 549 NE1 TRP A 37 15.625 -6.315 -16.960 1.00 0.00 N ATOM 550 CE2 TRP A 37 14.852 -6.514 -18.073 1.00 0.00 C ATOM 551 CE3 TRP A 37 13.454 -8.252 -18.999 1.00 0.00 C ATOM 552 CZ2 TRP A 37 14.600 -5.673 -19.154 1.00 0.00 C ATOM 553 CZ3 TRP A 37 13.204 -7.416 -20.071 1.00 0.00 C ATOM 554 CH2 TRP A 37 13.776 -6.138 -20.142 1.00 0.00 C ATOM 0 H TRP A 37 13.147 -11.774 -16.741 1.00 0.00 H new ATOM 0 HA TRP A 37 15.216 -10.513 -18.058 1.00 0.00 H new ATOM 0 HB2 TRP A 37 13.350 -9.848 -16.165 1.00 0.00 H new ATOM 0 HB3 TRP A 37 14.807 -9.816 -15.192 1.00 0.00 H new ATOM 0 HD1 TRP A 37 16.080 -7.560 -15.228 1.00 0.00 H new ATOM 0 HE1 TRP A 37 16.158 -5.471 -16.751 1.00 0.00 H new ATOM 0 HE3 TRP A 37 13.010 -9.235 -18.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 15.040 -4.688 -19.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 12.557 -7.753 -20.867 1.00 0.00 H new ATOM 0 HH2 TRP A 37 13.562 -5.509 -20.993 1.00 0.00 H new ATOM 565 N CYS A 38 17.441 -10.928 -17.036 1.00 0.00 N ATOM 566 CA CYS A 38 18.763 -11.310 -16.551 1.00 0.00 C ATOM 567 C CYS A 38 19.589 -10.078 -16.196 1.00 0.00 C ATOM 568 O CYS A 38 19.801 -9.199 -17.033 1.00 0.00 O ATOM 569 CB CYS A 38 19.494 -12.144 -17.603 1.00 0.00 C ATOM 570 SG CYS A 38 21.091 -12.790 -17.054 1.00 0.00 S ATOM 0 H CYS A 38 17.452 -10.322 -17.857 1.00 0.00 H new ATOM 0 HA CYS A 38 18.633 -11.909 -15.650 1.00 0.00 H new ATOM 0 HB2 CYS A 38 18.858 -12.979 -17.896 1.00 0.00 H new ATOM 0 HB3 CYS A 38 19.648 -11.533 -18.493 1.00 0.00 H new ATOM 0 HG CYS A 38 21.631 -13.484 -18.012 1.00 0.00 H new ATOM 576 N CYS A 39 20.050 -10.019 -14.952 1.00 0.00 N ATOM 577 CA CYS A 39 20.850 -8.892 -14.486 1.00 0.00 C ATOM 578 C CYS A 39 22.303 -9.308 -14.276 1.00 0.00 C ATOM 579 O CYS A 39 22.626 -10.490 -14.165 1.00 0.00 O ATOM 580 CB CYS A 39 20.274 -8.334 -13.183 1.00 0.00 C ATOM 581 SG CYS A 39 19.342 -6.799 -13.387 1.00 0.00 S ATOM 0 H CYS A 39 19.884 -10.738 -14.248 1.00 0.00 H new ATOM 0 HA CYS A 39 20.819 -8.115 -15.250 1.00 0.00 H new ATOM 0 HB2 CYS A 39 19.623 -9.085 -12.735 1.00 0.00 H new ATOM 0 HB3 CYS A 39 21.091 -8.160 -12.482 1.00 0.00 H new ATOM 0 HG CYS A 39 18.188 -6.911 -12.799 1.00 0.00 H new ATOM 587 N PRO A 40 23.201 -8.313 -14.223 1.00 0.00 N ATOM 588 CA PRO A 40 24.635 -8.551 -14.028 1.00 0.00 C ATOM 589 C PRO A 40 24.954 -9.046 -12.622 1.00 0.00 C ATOM 590 O PRO A 40 25.667 -10.035 -12.449 1.00 0.00 O ATOM 591 CB PRO A 40 25.258 -7.173 -14.264 1.00 0.00 C ATOM 592 CG PRO A 40 24.170 -6.206 -13.948 1.00 0.00 C ATOM 593 CD PRO A 40 22.887 -6.880 -14.349 1.00 0.00 C ATOM 0 HA PRO A 40 25.014 -9.325 -14.695 1.00 0.00 H new ATOM 0 HB2 PRO A 40 26.126 -7.016 -13.623 1.00 0.00 H new ATOM 0 HB3 PRO A 40 25.598 -7.063 -15.294 1.00 0.00 H new ATOM 0 HG2 PRO A 40 24.165 -5.957 -12.887 1.00 0.00 H new ATOM 0 HG3 PRO A 40 24.307 -5.272 -14.493 1.00 0.00 H new ATOM 0 HD2 PRO A 40 22.061 -6.591 -13.699 1.00 0.00 H new ATOM 0 HD3 PRO A 40 22.598 -6.620 -15.367 1.00 0.00 H new ATOM 601 N ASP A 41 24.423 -8.353 -11.621 1.00 0.00 N ATOM 602 CA ASP A 41 24.651 -8.724 -10.229 1.00 0.00 C ATOM 603 C ASP A 41 23.740 -9.877 -9.818 1.00 0.00 C ATOM 604 O ASP A 41 24.206 -10.897 -9.307 1.00 0.00 O ATOM 605 CB ASP A 41 24.416 -7.522 -9.314 1.00 0.00 C ATOM 606 CG ASP A 41 25.710 -6.857 -8.888 1.00 0.00 C ATOM 607 OD1 ASP A 41 26.691 -6.918 -9.659 1.00 0.00 O ATOM 608 OD2 ASP A 41 25.742 -6.274 -7.784 1.00 0.00 O ATOM 0 H ASP A 41 23.832 -7.531 -11.747 1.00 0.00 H new ATOM 0 HA ASP A 41 25.687 -9.049 -10.130 1.00 0.00 H new ATOM 0 HB2 ASP A 41 23.789 -6.794 -9.829 1.00 0.00 H new ATOM 0 HB3 ASP A 41 23.868 -7.845 -8.429 1.00 0.00 H new ATOM 613 N CYS A 42 22.442 -9.709 -10.044 1.00 0.00 N ATOM 614 CA CYS A 42 21.466 -10.735 -9.695 1.00 0.00 C ATOM 615 C CYS A 42 21.813 -12.063 -10.359 1.00 0.00 C ATOM 616 O CYS A 42 21.398 -13.127 -9.898 1.00 0.00 O ATOM 617 CB CYS A 42 20.062 -10.294 -10.110 1.00 0.00 C ATOM 618 SG CYS A 42 18.767 -11.498 -9.728 1.00 0.00 S ATOM 0 H CYS A 42 22.041 -8.872 -10.467 1.00 0.00 H new ATOM 0 HA CYS A 42 21.491 -10.873 -8.614 1.00 0.00 H new ATOM 0 HB2 CYS A 42 19.826 -9.353 -9.613 1.00 0.00 H new ATOM 0 HB3 CYS A 42 20.056 -10.098 -11.182 1.00 0.00 H new ATOM 0 HG CYS A 42 19.240 -12.404 -8.925 1.00 0.00 H new ATOM 624 N SER A 43 22.574 -11.994 -11.447 1.00 0.00 N ATOM 625 CA SER A 43 22.972 -13.191 -12.179 1.00 0.00 C ATOM 626 C SER A 43 23.562 -14.234 -11.234 1.00 0.00 C ATOM 627 O SER A 43 23.422 -15.437 -11.455 1.00 0.00 O ATOM 628 CB SER A 43 23.990 -12.836 -13.264 1.00 0.00 C ATOM 629 OG SER A 43 24.899 -13.902 -13.480 1.00 0.00 O ATOM 0 H SER A 43 22.927 -11.122 -11.841 1.00 0.00 H new ATOM 0 HA SER A 43 22.083 -13.612 -12.649 1.00 0.00 H new ATOM 0 HB2 SER A 43 23.470 -12.604 -14.193 1.00 0.00 H new ATOM 0 HB3 SER A 43 24.538 -11.940 -12.973 1.00 0.00 H new ATOM 0 HG SER A 43 25.538 -13.650 -14.179 1.00 0.00 H new ATOM 635 N VAL A 44 24.222 -13.764 -10.181 1.00 0.00 N ATOM 636 CA VAL A 44 24.832 -14.655 -9.201 1.00 0.00 C ATOM 637 C VAL A 44 24.190 -14.486 -7.829 1.00 0.00 C ATOM 638 O VAL A 44 24.811 -14.764 -6.803 1.00 0.00 O ATOM 639 CB VAL A 44 26.347 -14.403 -9.081 1.00 0.00 C ATOM 640 CG1 VAL A 44 27.046 -14.712 -10.396 1.00 0.00 C ATOM 641 CG2 VAL A 44 26.615 -12.969 -8.650 1.00 0.00 C ATOM 0 H VAL A 44 24.348 -12.771 -9.984 1.00 0.00 H new ATOM 0 HA VAL A 44 24.667 -15.673 -9.553 1.00 0.00 H new ATOM 0 HB VAL A 44 26.749 -15.070 -8.318 1.00 0.00 H new ATOM 0 HG11 VAL A 44 28.115 -14.528 -10.292 1.00 0.00 H new ATOM 0 HG12 VAL A 44 26.882 -15.757 -10.659 1.00 0.00 H new ATOM 0 HG13 VAL A 44 26.643 -14.073 -11.181 1.00 0.00 H new ATOM 0 HG21 VAL A 44 27.690 -12.808 -8.570 1.00 0.00 H new ATOM 0 HG22 VAL A 44 26.199 -12.283 -9.388 1.00 0.00 H new ATOM 0 HG23 VAL A 44 26.148 -12.787 -7.682 1.00 0.00 H new ATOM 651 N ARG A 45 22.942 -14.030 -7.819 1.00 0.00 N ATOM 652 CA ARG A 45 22.214 -13.823 -6.572 1.00 0.00 C ATOM 653 C ARG A 45 20.734 -14.153 -6.745 1.00 0.00 C ATOM 654 O ARG A 45 20.112 -13.759 -7.731 1.00 0.00 O ATOM 655 CB ARG A 45 22.373 -12.378 -6.097 1.00 0.00 C ATOM 656 CG ARG A 45 23.789 -12.031 -5.667 1.00 0.00 C ATOM 657 CD ARG A 45 24.074 -12.510 -4.252 1.00 0.00 C ATOM 658 NE ARG A 45 24.402 -13.932 -4.212 1.00 0.00 N ATOM 659 CZ ARG A 45 24.346 -14.668 -3.107 1.00 0.00 C ATOM 660 NH1 ARG A 45 23.977 -14.119 -1.958 1.00 0.00 N ATOM 661 NH2 ARG A 45 24.660 -15.957 -3.151 1.00 0.00 N ATOM 0 H ARG A 45 22.414 -13.797 -8.660 1.00 0.00 H new ATOM 0 HA ARG A 45 22.633 -14.493 -5.821 1.00 0.00 H new ATOM 0 HB2 ARG A 45 22.071 -11.705 -6.900 1.00 0.00 H new ATOM 0 HB3 ARG A 45 21.695 -12.202 -5.262 1.00 0.00 H new ATOM 0 HG2 ARG A 45 24.501 -12.484 -6.356 1.00 0.00 H new ATOM 0 HG3 ARG A 45 23.934 -10.952 -5.723 1.00 0.00 H new ATOM 0 HD2 ARG A 45 24.901 -11.935 -3.834 1.00 0.00 H new ATOM 0 HD3 ARG A 45 23.204 -12.321 -3.623 1.00 0.00 H new ATOM 0 HE ARG A 45 24.690 -14.385 -5.079 1.00 0.00 H new ATOM 0 HH11 ARG A 45 23.735 -13.129 -1.920 1.00 0.00 H new ATOM 0 HH12 ARG A 45 23.935 -14.687 -1.112 1.00 0.00 H new ATOM 0 HH21 ARG A 45 24.944 -16.383 -4.033 1.00 0.00 H new ATOM 0 HH22 ARG A 45 24.617 -16.522 -2.303 1.00 0.00 H new ATOM 675 N GLU A 46 20.178 -14.879 -5.781 1.00 0.00 N ATOM 676 CA GLU A 46 18.772 -15.263 -5.828 1.00 0.00 C ATOM 677 C GLU A 46 17.870 -14.034 -5.759 1.00 0.00 C ATOM 678 O GLU A 46 18.144 -13.089 -5.019 1.00 0.00 O ATOM 679 CB GLU A 46 18.442 -16.217 -4.678 1.00 0.00 C ATOM 680 CG GLU A 46 19.326 -17.451 -4.638 1.00 0.00 C ATOM 681 CD GLU A 46 19.401 -18.159 -5.977 1.00 0.00 C ATOM 682 OE1 GLU A 46 20.158 -17.692 -6.853 1.00 0.00 O ATOM 683 OE2 GLU A 46 18.703 -19.180 -6.149 1.00 0.00 O ATOM 0 H GLU A 46 20.679 -15.213 -4.958 1.00 0.00 H new ATOM 0 HA GLU A 46 18.592 -15.772 -6.775 1.00 0.00 H new ATOM 0 HB2 GLU A 46 18.538 -15.681 -3.734 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.401 -16.529 -4.763 1.00 0.00 H new ATOM 0 HG2 GLU A 46 20.330 -17.164 -4.326 1.00 0.00 H new ATOM 0 HG3 GLU A 46 18.945 -18.142 -3.887 1.00 0.00 H new ATOM 690 N LYS A 47 16.793 -14.053 -6.536 1.00 0.00 N ATOM 691 CA LYS A 47 15.849 -12.943 -6.565 1.00 0.00 C ATOM 692 C LYS A 47 15.165 -12.775 -5.212 1.00 0.00 C ATOM 693 O LYS A 47 14.872 -11.657 -4.787 1.00 0.00 O ATOM 694 CB LYS A 47 14.798 -13.167 -7.655 1.00 0.00 C ATOM 695 CG LYS A 47 14.320 -11.884 -8.313 1.00 0.00 C ATOM 696 CD LYS A 47 14.038 -12.088 -9.792 1.00 0.00 C ATOM 697 CE LYS A 47 12.855 -11.251 -10.254 1.00 0.00 C ATOM 698 NZ LYS A 47 11.597 -11.637 -9.558 1.00 0.00 N ATOM 0 H LYS A 47 16.552 -14.827 -7.155 1.00 0.00 H new ATOM 0 HA LYS A 47 16.405 -12.032 -6.787 1.00 0.00 H new ATOM 0 HB2 LYS A 47 15.214 -13.824 -8.419 1.00 0.00 H new ATOM 0 HB3 LYS A 47 13.942 -13.684 -7.222 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.417 -11.533 -7.814 1.00 0.00 H new ATOM 0 HG3 LYS A 47 15.075 -11.107 -8.189 1.00 0.00 H new ATOM 0 HD2 LYS A 47 14.922 -11.822 -10.372 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.836 -13.142 -9.983 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.063 -10.197 -10.071 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.725 -11.368 -11.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.786 -11.463 -10.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.633 -12.646 -9.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.492 -11.072 -8.691 1.00 0.00 H new ATOM 712 N VAL A 48 14.915 -13.893 -4.537 1.00 0.00 N ATOM 713 CA VAL A 48 14.268 -13.869 -3.231 1.00 0.00 C ATOM 714 C VAL A 48 15.230 -13.387 -2.151 1.00 0.00 C ATOM 715 O VAL A 48 14.829 -13.142 -1.012 1.00 0.00 O ATOM 716 CB VAL A 48 13.734 -15.261 -2.844 1.00 0.00 C ATOM 717 CG1 VAL A 48 14.885 -16.227 -2.606 1.00 0.00 C ATOM 718 CG2 VAL A 48 12.844 -15.166 -1.613 1.00 0.00 C ATOM 0 H VAL A 48 15.151 -14.827 -4.874 1.00 0.00 H new ATOM 0 HA VAL A 48 13.431 -13.175 -3.304 1.00 0.00 H new ATOM 0 HB VAL A 48 13.134 -15.644 -3.670 1.00 0.00 H new ATOM 0 HG11 VAL A 48 14.489 -17.205 -2.334 1.00 0.00 H new ATOM 0 HG12 VAL A 48 15.479 -16.317 -3.516 1.00 0.00 H new ATOM 0 HG13 VAL A 48 15.513 -15.852 -1.798 1.00 0.00 H new ATOM 0 HG21 VAL A 48 12.475 -16.158 -1.353 1.00 0.00 H new ATOM 0 HG22 VAL A 48 13.418 -14.763 -0.779 1.00 0.00 H new ATOM 0 HG23 VAL A 48 12.000 -14.509 -1.824 1.00 0.00 H new ATOM 728 N ASP A 49 16.500 -13.252 -2.515 1.00 0.00 N ATOM 729 CA ASP A 49 17.520 -12.797 -1.577 1.00 0.00 C ATOM 730 C ASP A 49 17.222 -11.382 -1.093 1.00 0.00 C ATOM 731 O ASP A 49 17.745 -10.940 -0.070 1.00 0.00 O ATOM 732 CB ASP A 49 18.902 -12.846 -2.230 1.00 0.00 C ATOM 733 CG ASP A 49 20.023 -12.644 -1.230 1.00 0.00 C ATOM 734 OD1 ASP A 49 20.348 -13.606 -0.502 1.00 0.00 O ATOM 735 OD2 ASP A 49 20.575 -11.525 -1.173 1.00 0.00 O ATOM 0 H ASP A 49 16.848 -13.451 -3.453 1.00 0.00 H new ATOM 0 HA ASP A 49 17.510 -13.465 -0.716 1.00 0.00 H new ATOM 0 HB2 ASP A 49 19.032 -13.807 -2.727 1.00 0.00 H new ATOM 0 HB3 ASP A 49 18.964 -12.078 -3.001 1.00 0.00 H new ATOM 740 N PHE A 50 16.378 -10.674 -1.837 1.00 0.00 N ATOM 741 CA PHE A 50 16.011 -9.307 -1.486 1.00 0.00 C ATOM 742 C PHE A 50 15.465 -9.239 -0.062 1.00 0.00 C ATOM 743 O PHE A 50 15.225 -10.266 0.570 1.00 0.00 O ATOM 744 CB PHE A 50 14.971 -8.767 -2.469 1.00 0.00 C ATOM 745 CG PHE A 50 15.566 -8.250 -3.748 1.00 0.00 C ATOM 746 CD1 PHE A 50 16.390 -9.054 -4.518 1.00 0.00 C ATOM 747 CD2 PHE A 50 15.302 -6.960 -4.179 1.00 0.00 C ATOM 748 CE1 PHE A 50 16.939 -8.582 -5.696 1.00 0.00 C ATOM 749 CE2 PHE A 50 15.848 -6.482 -5.355 1.00 0.00 C ATOM 750 CZ PHE A 50 16.668 -7.294 -6.114 1.00 0.00 C ATOM 0 H PHE A 50 15.936 -11.024 -2.687 1.00 0.00 H new ATOM 0 HA PHE A 50 16.908 -8.691 -1.542 1.00 0.00 H new ATOM 0 HB2 PHE A 50 14.259 -9.558 -2.703 1.00 0.00 H new ATOM 0 HB3 PHE A 50 14.410 -7.965 -1.988 1.00 0.00 H new ATOM 0 HD1 PHE A 50 16.606 -10.061 -4.195 1.00 0.00 H new ATOM 0 HD2 PHE A 50 14.662 -6.321 -3.589 1.00 0.00 H new ATOM 0 HE1 PHE A 50 17.579 -9.220 -6.288 1.00 0.00 H new ATOM 0 HE2 PHE A 50 15.634 -5.475 -5.680 1.00 0.00 H new ATOM 0 HZ PHE A 50 17.097 -6.922 -7.033 1.00 0.00 H new ATOM 760 N GLU A 51 15.274 -8.021 0.434 1.00 0.00 N ATOM 761 CA GLU A 51 14.758 -7.819 1.783 1.00 0.00 C ATOM 762 C GLU A 51 13.569 -6.862 1.773 1.00 0.00 C ATOM 763 O GLU A 51 13.727 -5.661 1.558 1.00 0.00 O ATOM 764 CB GLU A 51 15.858 -7.274 2.697 1.00 0.00 C ATOM 765 CG GLU A 51 16.637 -6.119 2.090 1.00 0.00 C ATOM 766 CD GLU A 51 17.798 -5.678 2.960 1.00 0.00 C ATOM 767 OE1 GLU A 51 17.556 -4.972 3.960 1.00 0.00 O ATOM 768 OE2 GLU A 51 18.950 -6.040 2.639 1.00 0.00 O ATOM 0 H GLU A 51 15.468 -7.160 -0.077 1.00 0.00 H new ATOM 0 HA GLU A 51 14.423 -8.783 2.165 1.00 0.00 H new ATOM 0 HB2 GLU A 51 15.410 -6.946 3.635 1.00 0.00 H new ATOM 0 HB3 GLU A 51 16.550 -8.080 2.939 1.00 0.00 H new ATOM 0 HG2 GLU A 51 17.013 -6.414 1.111 1.00 0.00 H new ATOM 0 HG3 GLU A 51 15.965 -5.275 1.932 1.00 0.00 H new ATOM 775 N ARG A 52 12.379 -7.405 2.007 1.00 0.00 N ATOM 776 CA ARG A 52 11.163 -6.601 2.024 1.00 0.00 C ATOM 777 C ARG A 52 11.233 -5.531 3.110 1.00 0.00 C ATOM 778 O ARG A 52 11.749 -5.773 4.200 1.00 0.00 O ATOM 779 CB ARG A 52 9.940 -7.492 2.250 1.00 0.00 C ATOM 780 CG ARG A 52 10.040 -8.360 3.495 1.00 0.00 C ATOM 781 CD ARG A 52 8.767 -9.161 3.719 1.00 0.00 C ATOM 782 NE ARG A 52 8.700 -9.714 5.069 1.00 0.00 N ATOM 783 CZ ARG A 52 7.870 -10.689 5.423 1.00 0.00 C ATOM 784 NH1 ARG A 52 7.041 -11.215 4.532 1.00 0.00 N ATOM 785 NH2 ARG A 52 7.867 -11.139 6.671 1.00 0.00 N ATOM 0 H ARG A 52 12.231 -8.398 2.187 1.00 0.00 H new ATOM 0 HA ARG A 52 11.071 -6.107 1.057 1.00 0.00 H new ATOM 0 HB2 ARG A 52 9.052 -6.864 2.326 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.803 -8.134 1.380 1.00 0.00 H new ATOM 0 HG2 ARG A 52 10.887 -9.040 3.399 1.00 0.00 H new ATOM 0 HG3 ARG A 52 10.233 -7.731 4.364 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.901 -8.522 3.545 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.716 -9.972 2.992 1.00 0.00 H new ATOM 0 HE ARG A 52 9.324 -9.331 5.779 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.039 -10.871 3.572 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.405 -11.964 4.807 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.502 -10.736 7.360 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.229 -11.888 6.942 1.00 0.00 H new ATOM 799 N MET A 53 10.712 -4.348 2.801 1.00 0.00 N ATOM 800 CA MET A 53 10.715 -3.241 3.751 1.00 0.00 C ATOM 801 C MET A 53 9.305 -2.955 4.258 1.00 0.00 C ATOM 802 O MET A 53 8.370 -2.810 3.472 1.00 0.00 O ATOM 803 CB MET A 53 11.300 -1.986 3.102 1.00 0.00 C ATOM 804 CG MET A 53 12.820 -1.958 3.094 1.00 0.00 C ATOM 805 SD MET A 53 13.520 -1.747 4.742 1.00 0.00 S ATOM 806 CE MET A 53 13.592 0.040 4.853 1.00 0.00 C ATOM 0 H MET A 53 10.283 -4.131 1.901 1.00 0.00 H new ATOM 0 HA MET A 53 11.336 -3.526 4.600 1.00 0.00 H new ATOM 0 HB2 MET A 53 10.938 -1.915 2.076 1.00 0.00 H new ATOM 0 HB3 MET A 53 10.931 -1.108 3.632 1.00 0.00 H new ATOM 0 HG2 MET A 53 13.194 -2.886 2.661 1.00 0.00 H new ATOM 0 HG3 MET A 53 13.161 -1.146 2.452 1.00 0.00 H new ATOM 0 HE1 MET A 53 14.005 0.328 5.820 1.00 0.00 H new ATOM 0 HE2 MET A 53 14.227 0.429 4.057 1.00 0.00 H new ATOM 0 HE3 MET A 53 12.588 0.452 4.750 1.00 0.00 H new ATOM 816 N GLY A 54 9.159 -2.877 5.577 1.00 0.00 N ATOM 817 CA GLY A 54 7.860 -2.610 6.166 1.00 0.00 C ATOM 818 C GLY A 54 7.643 -3.367 7.461 1.00 0.00 C ATOM 819 O GLY A 54 7.926 -4.561 7.544 1.00 0.00 O ATOM 0 H GLY A 54 9.918 -2.994 6.249 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.763 -1.541 6.353 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.080 -2.881 5.455 1.00 0.00 H new ATOM 823 N GLY A 55 7.139 -2.670 8.475 1.00 0.00 N ATOM 824 CA GLY A 55 6.894 -3.301 9.759 1.00 0.00 C ATOM 825 C GLY A 55 5.530 -3.956 9.832 1.00 0.00 C ATOM 826 O GLY A 55 5.424 -5.178 9.944 1.00 0.00 O ATOM 0 H GLY A 55 6.896 -1.680 8.430 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.664 -4.050 9.945 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.978 -2.555 10.549 1.00 0.00 H new ATOM 830 N LYS A 56 4.480 -3.143 9.772 1.00 0.00 N ATOM 831 CA LYS A 56 3.115 -3.650 9.832 1.00 0.00 C ATOM 832 C LYS A 56 2.816 -4.555 8.641 1.00 0.00 C ATOM 833 O LYS A 56 2.110 -5.555 8.770 1.00 0.00 O ATOM 834 CB LYS A 56 2.119 -2.488 9.866 1.00 0.00 C ATOM 835 CG LYS A 56 2.189 -1.591 8.643 1.00 0.00 C ATOM 836 CD LYS A 56 1.162 -1.992 7.597 1.00 0.00 C ATOM 837 CE LYS A 56 -0.149 -1.244 7.788 1.00 0.00 C ATOM 838 NZ LYS A 56 -0.115 0.104 7.156 1.00 0.00 N ATOM 0 H LYS A 56 4.549 -2.129 9.682 1.00 0.00 H new ATOM 0 HA LYS A 56 3.012 -4.236 10.745 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.109 -2.889 9.955 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.304 -1.888 10.757 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.022 -0.556 8.940 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.188 -1.641 8.211 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.557 -1.789 6.601 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.982 -3.065 7.655 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.965 -1.826 7.359 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.357 -1.141 8.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.026 0.582 7.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.647 0.668 7.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.058 0.005 6.135 1.00 0.00 H new TER 852 LYS A 56