USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 722 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -166:sc= -0.696 (180deg=-1.24) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 53:sc= 1.12 USER MOD Single : A 20 GLN : amide:sc= -8.65! C(o=-8.6!,f=-8!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 82:sc= 1.04 USER MOD Single : A 26 HIS : no HD1:sc= -0.693 K(o=-0.69,f=0.0027) USER MOD Single : A 27 LYS NZ :NH3+ 153:sc= -0.0333 (180deg=-0.313) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 167:sc= 1.1 (180deg=0.971) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -85:sc= 1.2 USER MOD Single : A 42 LYS NZ :NH3+ 166:sc= -0.0416 (180deg=-0.282) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 CYS SG : rot 154:sc= 0.811 USER MOD Single : A 45 SER OG : rot -82:sc= 0.857 USER MOD Single : A 49 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000272) USER MOD Single : A 50 THR OG1 : rot -41:sc= 1.16 USER MOD Single : A 51 MET CE :methyl -168:sc= -1.2 (180deg=-2!) USER MOD Single : A 52 SER OG : rot 180:sc= 0.0363 USER MOD Single : A 54 LYS NZ :NH3+ -169:sc= -0.0148 (180deg=-0.164) USER MOD Single : A 56 LYS NZ :NH3+ 164:sc= 1.15 (180deg=0.936) USER MOD Single : A 58 LYS NZ :NH3+ -166:sc= 1.25 (180deg=1.16) USER MOD Single : A 62 MET CE :methyl -178:sc= -1.15 (180deg=-1.22) USER MOD Single : A 64 LYS NZ :NH3+ 148:sc= -0.338 (180deg=-1.48) USER MOD Single : A 67 LYS NZ :NH3+ -134:sc= 1.14 (180deg=0.823) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : B 18 THR OG1 : rot -92:sc= 0.0464 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 MET CE :methyl -105:sc= -2.33! (180deg=-3.46!) USER MOD Single : B 46 SER OG : rot -113:sc= 1.16 USER MOD Single : B 52 GLN : amide:sc= -0.353 X(o=-0.35,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 109 N PRO A 8 11.266 10.617 -0.383 1.00 0.00 N ATOM 110 CA PRO A 8 10.757 9.754 0.679 1.00 0.00 C ATOM 111 C PRO A 8 9.533 8.971 0.202 1.00 0.00 C ATOM 112 O PRO A 8 8.808 9.418 -0.689 1.00 0.00 O ATOM 113 CB PRO A 8 10.411 10.733 1.805 1.00 0.00 C ATOM 114 CG PRO A 8 10.189 12.037 1.122 1.00 0.00 C ATOM 115 CD PRO A 8 11.107 12.044 -0.069 1.00 0.00 C ATOM 0 HA PRO A 8 11.472 8.996 1.000 1.00 0.00 H new ATOM 0 HB2 PRO A 8 9.521 10.414 2.347 1.00 0.00 H new ATOM 0 HB3 PRO A 8 11.220 10.800 2.533 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.149 12.143 0.813 1.00 0.00 H new ATOM 0 HG3 PRO A 8 10.410 12.870 1.790 1.00 0.00 H new ATOM 0 HD2 PRO A 8 10.676 12.594 -0.906 1.00 0.00 H new ATOM 0 HD3 PRO A 8 12.063 12.514 0.163 1.00 0.00 H new ATOM 123 N ARG A 9 9.293 7.816 0.802 1.00 0.00 N ATOM 124 CA ARG A 9 8.373 6.836 0.231 1.00 0.00 C ATOM 125 C ARG A 9 6.910 7.063 0.640 1.00 0.00 C ATOM 126 O ARG A 9 6.094 6.139 0.620 1.00 0.00 O ATOM 127 CB ARG A 9 8.833 5.439 0.625 1.00 0.00 C ATOM 128 CG ARG A 9 8.205 4.339 -0.207 1.00 0.00 C ATOM 129 CD ARG A 9 8.856 3.008 0.075 1.00 0.00 C ATOM 130 NE ARG A 9 10.254 2.983 -0.335 1.00 0.00 N ATOM 131 CZ ARG A 9 11.178 2.248 0.270 1.00 0.00 C ATOM 132 NH1 ARG A 9 10.861 1.557 1.360 1.00 0.00 N1+ ATOM 133 NH2 ARG A 9 12.422 2.217 -0.197 1.00 0.00 N ATOM 0 H ARG A 9 9.720 7.531 1.683 1.00 0.00 H new ATOM 0 HA ARG A 9 8.397 6.953 -0.852 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.917 5.382 0.530 1.00 0.00 H new ATOM 0 HB3 ARG A 9 8.596 5.270 1.675 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.138 4.279 0.009 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.303 4.578 -1.266 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.787 2.790 1.141 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.312 2.221 -0.447 1.00 0.00 H new ATOM 0 HE ARG A 9 10.537 3.560 -1.127 1.00 0.00 H new ATOM 0 HH11 ARG A 9 9.910 1.593 1.728 1.00 0.00 H new ATOM 0 HH12 ARG A 9 11.568 0.991 1.828 1.00 0.00 H new ATOM 0 HH21 ARG A 9 12.670 2.760 -1.024 1.00 0.00 H new ATOM 0 HH22 ARG A 9 13.129 1.650 0.272 1.00 0.00 H new ATOM 147 N GLY A 10 6.575 8.286 0.994 1.00 0.00 N ATOM 148 CA GLY A 10 5.182 8.629 1.203 1.00 0.00 C ATOM 149 C GLY A 10 4.702 8.423 2.626 1.00 0.00 C ATOM 150 O GLY A 10 5.482 8.118 3.526 1.00 0.00 O ATOM 0 H GLY A 10 7.235 9.049 1.141 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.030 9.672 0.927 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.566 8.029 0.533 1.00 0.00 H new ATOM 154 N LYS A 11 3.403 8.605 2.811 1.00 0.00 N ATOM 155 CA LYS A 11 2.765 8.522 4.121 1.00 0.00 C ATOM 156 C LYS A 11 1.791 7.345 4.154 1.00 0.00 C ATOM 157 O LYS A 11 0.811 7.365 4.901 1.00 0.00 O ATOM 158 CB LYS A 11 2.026 9.830 4.419 1.00 0.00 C ATOM 159 CG LYS A 11 2.859 11.066 4.117 1.00 0.00 C ATOM 160 CD LYS A 11 2.131 12.362 4.447 1.00 0.00 C ATOM 161 CE LYS A 11 2.024 12.586 5.945 1.00 0.00 C ATOM 162 NZ LYS A 11 1.520 13.947 6.271 1.00 0.00 N1+ ATOM 0 H LYS A 11 2.755 8.816 2.052 1.00 0.00 H new ATOM 0 HA LYS A 11 3.528 8.365 4.883 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.109 9.864 3.831 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.733 9.844 5.469 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.788 11.021 4.686 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.132 11.066 3.062 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.658 13.200 3.991 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.132 12.338 4.011 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.357 11.840 6.376 1.00 0.00 H new ATOM 0 HE3 LYS A 11 3.002 12.442 6.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 1.462 14.058 7.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.170 14.660 5.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.575 14.076 5.856 1.00 0.00 H new ATOM 176 N MET A 12 2.062 6.349 3.304 1.00 0.00 N ATOM 177 CA MET A 12 1.173 5.194 3.093 1.00 0.00 C ATOM 178 C MET A 12 0.625 4.607 4.393 1.00 0.00 C ATOM 179 O MET A 12 1.240 4.702 5.454 1.00 0.00 O ATOM 180 CB MET A 12 1.898 4.082 2.321 1.00 0.00 C ATOM 181 CG MET A 12 2.434 4.511 0.964 1.00 0.00 C ATOM 182 SD MET A 12 2.947 3.112 -0.060 1.00 0.00 S ATOM 183 CE MET A 12 4.151 2.301 0.996 1.00 0.00 C ATOM 0 H MET A 12 2.910 6.318 2.737 1.00 0.00 H new ATOM 0 HA MET A 12 0.330 5.575 2.516 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.727 3.716 2.927 1.00 0.00 H new ATOM 0 HB3 MET A 12 1.212 3.247 2.180 1.00 0.00 H new ATOM 0 HG2 MET A 12 1.666 5.078 0.438 1.00 0.00 H new ATOM 0 HG3 MET A 12 3.282 5.180 1.108 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.724 1.582 0.410 1.00 0.00 H new ATOM 0 HE2 MET A 12 4.826 3.046 1.417 1.00 0.00 H new ATOM 0 HE3 MET A 12 3.635 1.781 1.804 1.00 0.00 H new ATOM 193 N SER A 13 -0.535 3.978 4.283 1.00 0.00 N ATOM 194 CA SER A 13 -1.212 3.394 5.428 1.00 0.00 C ATOM 195 C SER A 13 -0.468 2.155 5.939 1.00 0.00 C ATOM 196 O SER A 13 0.365 1.582 5.232 1.00 0.00 O ATOM 197 CB SER A 13 -2.641 3.030 5.030 1.00 0.00 C ATOM 198 OG SER A 13 -3.249 4.097 4.317 1.00 0.00 O ATOM 0 H SER A 13 -1.031 3.859 3.400 1.00 0.00 H new ATOM 0 HA SER A 13 -1.230 4.124 6.238 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.635 2.131 4.414 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.225 2.802 5.921 1.00 0.00 H new ATOM 0 HG SER A 13 -4.163 3.846 4.069 1.00 0.00 H new ATOM 204 N SER A 14 -0.786 1.747 7.164 1.00 0.00 N ATOM 205 CA SER A 14 -0.140 0.607 7.810 1.00 0.00 C ATOM 206 C SER A 14 -0.266 -0.671 6.974 1.00 0.00 C ATOM 207 O SER A 14 0.659 -1.486 6.939 1.00 0.00 O ATOM 208 CB SER A 14 -0.752 0.404 9.197 1.00 0.00 C ATOM 209 OG SER A 14 -0.079 -0.605 9.925 1.00 0.00 O ATOM 0 H SER A 14 -1.499 2.197 7.738 1.00 0.00 H new ATOM 0 HA SER A 14 0.925 0.822 7.903 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.712 1.341 9.753 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.804 0.138 9.095 1.00 0.00 H new ATOM 0 HG SER A 14 -0.496 -0.706 10.806 1.00 0.00 H new ATOM 215 N TYR A 15 -1.404 -0.835 6.299 1.00 0.00 N ATOM 216 CA TYR A 15 -1.632 -1.991 5.430 1.00 0.00 C ATOM 217 C TYR A 15 -0.510 -2.093 4.394 1.00 0.00 C ATOM 218 O TYR A 15 0.086 -3.158 4.190 1.00 0.00 O ATOM 219 CB TYR A 15 -2.987 -1.841 4.727 1.00 0.00 C ATOM 220 CG TYR A 15 -3.659 -3.145 4.338 1.00 0.00 C ATOM 221 CD1 TYR A 15 -2.920 -4.278 4.012 1.00 0.00 C ATOM 222 CD2 TYR A 15 -5.045 -3.237 4.302 1.00 0.00 C ATOM 223 CE1 TYR A 15 -3.546 -5.461 3.662 1.00 0.00 C ATOM 224 CE2 TYR A 15 -5.676 -4.415 3.952 1.00 0.00 C ATOM 225 CZ TYR A 15 -4.924 -5.524 3.635 1.00 0.00 C ATOM 226 OH TYR A 15 -5.551 -6.700 3.286 1.00 0.00 O ATOM 0 H TYR A 15 -2.185 -0.180 6.337 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.638 -2.901 6.030 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -3.659 -1.285 5.381 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.848 -1.240 3.828 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.841 -4.233 4.033 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.640 -2.371 4.552 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -2.958 -6.332 3.411 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -6.755 -4.466 3.927 1.00 0.00 H new ATOM 0 HH TYR A 15 -5.212 -7.430 3.845 1.00 0.00 H new ATOM 236 N ALA A 16 -0.215 -0.966 3.756 1.00 0.00 N ATOM 237 CA ALA A 16 0.846 -0.904 2.766 1.00 0.00 C ATOM 238 C ALA A 16 2.195 -1.142 3.418 1.00 0.00 C ATOM 239 O ALA A 16 3.055 -1.808 2.850 1.00 0.00 O ATOM 240 CB ALA A 16 0.833 0.434 2.049 1.00 0.00 C ATOM 0 H ALA A 16 -0.699 -0.082 3.910 1.00 0.00 H new ATOM 0 HA ALA A 16 0.673 -1.689 2.030 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.636 0.460 1.312 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.125 0.569 1.547 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.979 1.236 2.773 1.00 0.00 H new ATOM 246 N PHE A 17 2.363 -0.603 4.622 1.00 0.00 N ATOM 247 CA PHE A 17 3.601 -0.765 5.369 1.00 0.00 C ATOM 248 C PHE A 17 3.898 -2.232 5.644 1.00 0.00 C ATOM 249 O PHE A 17 5.044 -2.661 5.535 1.00 0.00 O ATOM 250 CB PHE A 17 3.543 0.013 6.681 1.00 0.00 C ATOM 251 CG PHE A 17 4.157 1.373 6.583 1.00 0.00 C ATOM 252 CD1 PHE A 17 3.457 2.433 6.035 1.00 0.00 C ATOM 253 CD2 PHE A 17 5.447 1.584 7.035 1.00 0.00 C ATOM 254 CE1 PHE A 17 4.036 3.682 5.940 1.00 0.00 C ATOM 255 CE2 PHE A 17 6.028 2.827 6.944 1.00 0.00 C ATOM 256 CZ PHE A 17 5.324 3.879 6.395 1.00 0.00 C ATOM 0 H PHE A 17 1.653 -0.049 5.101 1.00 0.00 H new ATOM 0 HA PHE A 17 4.409 -0.366 4.756 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.503 0.112 6.992 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.056 -0.556 7.457 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.449 2.282 5.679 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.004 0.764 7.464 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.482 4.504 5.510 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.035 2.980 7.302 1.00 0.00 H new ATOM 0 HZ PHE A 17 5.780 4.855 6.321 1.00 0.00 H new ATOM 266 N PHE A 18 2.862 -2.987 5.993 1.00 0.00 N ATOM 267 CA PHE A 18 2.992 -4.419 6.245 1.00 0.00 C ATOM 268 C PHE A 18 3.682 -5.120 5.080 1.00 0.00 C ATOM 269 O PHE A 18 4.724 -5.762 5.252 1.00 0.00 O ATOM 270 CB PHE A 18 1.610 -5.031 6.492 1.00 0.00 C ATOM 271 CG PHE A 18 1.564 -6.530 6.364 1.00 0.00 C ATOM 272 CD1 PHE A 18 2.269 -7.342 7.235 1.00 0.00 C ATOM 273 CD2 PHE A 18 0.813 -7.122 5.363 1.00 0.00 C ATOM 274 CE1 PHE A 18 2.224 -8.718 7.110 1.00 0.00 C ATOM 275 CE2 PHE A 18 0.765 -8.494 5.232 1.00 0.00 C ATOM 276 CZ PHE A 18 1.471 -9.294 6.108 1.00 0.00 C ATOM 0 H PHE A 18 1.914 -2.628 6.109 1.00 0.00 H new ATOM 0 HA PHE A 18 3.609 -4.558 7.133 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.276 -4.753 7.492 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.902 -4.596 5.787 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.861 -6.896 8.021 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.257 -6.501 4.676 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.778 -9.341 7.796 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.176 -8.942 4.445 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.434 -10.369 6.009 1.00 0.00 H new ATOM 286 N VAL A 19 3.105 -4.987 3.896 1.00 0.00 N ATOM 287 CA VAL A 19 3.683 -5.593 2.706 1.00 0.00 C ATOM 288 C VAL A 19 5.032 -4.957 2.378 1.00 0.00 C ATOM 289 O VAL A 19 5.983 -5.645 2.032 1.00 0.00 O ATOM 290 CB VAL A 19 2.732 -5.462 1.501 1.00 0.00 C ATOM 291 CG1 VAL A 19 3.399 -5.928 0.219 1.00 0.00 C ATOM 292 CG2 VAL A 19 1.463 -6.257 1.749 1.00 0.00 C ATOM 0 H VAL A 19 2.242 -4.468 3.733 1.00 0.00 H new ATOM 0 HA VAL A 19 3.834 -6.652 2.913 1.00 0.00 H new ATOM 0 HB VAL A 19 2.478 -4.408 1.385 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.702 -5.823 -0.613 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.285 -5.322 0.029 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.689 -6.974 0.319 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.798 -6.158 0.891 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.714 -7.308 1.893 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.964 -5.877 2.641 1.00 0.00 H new ATOM 302 N GLN A 20 5.097 -3.641 2.529 1.00 0.00 N ATOM 303 CA GLN A 20 6.288 -2.862 2.204 1.00 0.00 C ATOM 304 C GLN A 20 7.520 -3.316 2.991 1.00 0.00 C ATOM 305 O GLN A 20 8.566 -3.584 2.403 1.00 0.00 O ATOM 306 CB GLN A 20 6.013 -1.388 2.484 1.00 0.00 C ATOM 307 CG GLN A 20 7.220 -0.487 2.326 1.00 0.00 C ATOM 308 CD GLN A 20 6.939 0.921 2.809 1.00 0.00 C ATOM 309 OE1 GLN A 20 7.540 1.880 2.347 1.00 0.00 O ATOM 310 NE2 GLN A 20 6.004 1.054 3.734 1.00 0.00 N ATOM 0 H GLN A 20 4.322 -3.079 2.882 1.00 0.00 H new ATOM 0 HA GLN A 20 6.508 -3.018 1.148 1.00 0.00 H new ATOM 0 HB2 GLN A 20 5.227 -1.043 1.812 1.00 0.00 H new ATOM 0 HB3 GLN A 20 5.631 -1.289 3.500 1.00 0.00 H new ATOM 0 HG2 GLN A 20 8.059 -0.902 2.885 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.518 -0.459 1.278 1.00 0.00 H new ATOM 0 HE21 GLN A 20 5.524 0.230 4.096 1.00 0.00 H new ATOM 0 HE22 GLN A 20 5.763 1.981 4.086 1.00 0.00 H new ATOM 319 N THR A 21 7.400 -3.397 4.314 1.00 0.00 N ATOM 320 CA THR A 21 8.545 -3.721 5.161 1.00 0.00 C ATOM 321 C THR A 21 9.075 -5.122 4.858 1.00 0.00 C ATOM 322 O THR A 21 10.285 -5.334 4.786 1.00 0.00 O ATOM 323 CB THR A 21 8.205 -3.583 6.668 1.00 0.00 C ATOM 324 OG1 THR A 21 9.361 -3.866 7.470 1.00 0.00 O ATOM 325 CG2 THR A 21 7.067 -4.511 7.072 1.00 0.00 C ATOM 0 H THR A 21 6.528 -3.244 4.820 1.00 0.00 H new ATOM 0 HA THR A 21 9.328 -2.998 4.930 1.00 0.00 H new ATOM 0 HB THR A 21 7.886 -2.554 6.837 1.00 0.00 H new ATOM 0 HG1 THR A 21 9.132 -3.773 8.418 1.00 0.00 H new ATOM 0 HG21 THR A 21 6.856 -4.387 8.134 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.176 -4.267 6.494 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.354 -5.544 6.877 1.00 0.00 H new ATOM 333 N CYS A 22 8.173 -6.069 4.634 1.00 0.00 N ATOM 334 CA CYS A 22 8.572 -7.430 4.306 1.00 0.00 C ATOM 335 C CYS A 22 9.128 -7.487 2.883 1.00 0.00 C ATOM 336 O CYS A 22 9.916 -8.369 2.535 1.00 0.00 O ATOM 337 CB CYS A 22 7.374 -8.371 4.443 1.00 0.00 C ATOM 338 SG CYS A 22 6.481 -8.193 6.005 1.00 0.00 S ATOM 0 H CYS A 22 7.165 -5.920 4.673 1.00 0.00 H new ATOM 0 HA CYS A 22 9.352 -7.747 4.998 1.00 0.00 H new ATOM 0 HB2 CYS A 22 6.685 -8.189 3.618 1.00 0.00 H new ATOM 0 HB3 CYS A 22 7.720 -9.400 4.348 1.00 0.00 H new ATOM 0 HG CYS A 22 5.655 -7.193 5.921 1.00 0.00 H new ATOM 344 N ARG A 23 8.724 -6.516 2.081 1.00 0.00 N ATOM 345 CA ARG A 23 9.080 -6.466 0.673 1.00 0.00 C ATOM 346 C ARG A 23 10.479 -5.899 0.465 1.00 0.00 C ATOM 347 O ARG A 23 11.330 -6.548 -0.141 1.00 0.00 O ATOM 348 CB ARG A 23 8.055 -5.624 -0.077 1.00 0.00 C ATOM 349 CG ARG A 23 8.353 -5.467 -1.548 1.00 0.00 C ATOM 350 CD ARG A 23 7.195 -4.814 -2.277 1.00 0.00 C ATOM 351 NE ARG A 23 5.963 -5.589 -2.157 1.00 0.00 N ATOM 352 CZ ARG A 23 5.773 -6.794 -2.691 1.00 0.00 C ATOM 353 NH1 ARG A 23 6.759 -7.427 -3.317 1.00 0.00 N1+ ATOM 354 NH2 ARG A 23 4.590 -7.375 -2.586 1.00 0.00 N ATOM 0 H ARG A 23 8.139 -5.739 2.388 1.00 0.00 H new ATOM 0 HA ARG A 23 9.079 -7.484 0.284 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.071 -6.079 0.038 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.005 -4.636 0.381 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.253 -4.865 -1.677 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.557 -6.444 -1.986 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.033 -3.813 -1.877 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.449 -4.699 -3.331 1.00 0.00 H new ATOM 0 HE ARG A 23 5.194 -5.179 -1.627 1.00 0.00 H new ATOM 0 HH11 ARG A 23 7.678 -6.990 -3.394 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.597 -8.350 -3.721 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.830 -6.900 -2.098 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.437 -8.298 -2.993 1.00 0.00 H new ATOM 368 N GLU A 24 10.723 -4.698 0.972 1.00 0.00 N ATOM 369 CA GLU A 24 12.006 -4.047 0.769 1.00 0.00 C ATOM 370 C GLU A 24 13.122 -4.779 1.512 1.00 0.00 C ATOM 371 O GLU A 24 14.239 -4.875 1.010 1.00 0.00 O ATOM 372 CB GLU A 24 11.956 -2.571 1.169 1.00 0.00 C ATOM 373 CG GLU A 24 13.338 -1.966 1.385 1.00 0.00 C ATOM 374 CD GLU A 24 13.334 -0.459 1.422 1.00 0.00 C ATOM 375 OE1 GLU A 24 12.778 0.114 2.378 1.00 0.00 O1- ATOM 376 OE2 GLU A 24 13.886 0.161 0.486 1.00 0.00 O ATOM 0 H GLU A 24 10.054 -4.160 1.522 1.00 0.00 H new ATOM 0 HA GLU A 24 12.228 -4.092 -0.297 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.436 -2.008 0.394 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.373 -2.468 2.084 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.749 -2.344 2.321 1.00 0.00 H new ATOM 0 HG3 GLU A 24 14.001 -2.300 0.587 1.00 0.00 H new ATOM 383 N GLU A 25 12.818 -5.309 2.694 1.00 0.00 N ATOM 384 CA GLU A 25 13.785 -6.130 3.420 1.00 0.00 C ATOM 385 C GLU A 25 14.215 -7.302 2.542 1.00 0.00 C ATOM 386 O GLU A 25 15.398 -7.649 2.453 1.00 0.00 O ATOM 387 CB GLU A 25 13.172 -6.646 4.726 1.00 0.00 C ATOM 388 CG GLU A 25 14.129 -7.460 5.573 1.00 0.00 C ATOM 389 CD GLU A 25 15.323 -6.655 6.035 1.00 0.00 C ATOM 390 OE1 GLU A 25 15.186 -5.886 7.008 1.00 0.00 O1- ATOM 391 OE2 GLU A 25 16.403 -6.782 5.424 1.00 0.00 O ATOM 0 H GLU A 25 11.922 -5.187 3.165 1.00 0.00 H new ATOM 0 HA GLU A 25 14.657 -5.523 3.665 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.817 -5.797 5.310 1.00 0.00 H new ATOM 0 HB3 GLU A 25 12.301 -7.257 4.491 1.00 0.00 H new ATOM 0 HG2 GLU A 25 13.599 -7.849 6.442 1.00 0.00 H new ATOM 0 HG3 GLU A 25 14.475 -8.320 5.000 1.00 0.00 H new ATOM 398 N HIS A 26 13.232 -7.894 1.879 1.00 0.00 N ATOM 399 CA HIS A 26 13.471 -8.961 0.927 1.00 0.00 C ATOM 400 C HIS A 26 14.319 -8.447 -0.239 1.00 0.00 C ATOM 401 O HIS A 26 15.269 -9.107 -0.657 1.00 0.00 O ATOM 402 CB HIS A 26 12.126 -9.501 0.436 1.00 0.00 C ATOM 403 CG HIS A 26 12.206 -10.703 -0.450 1.00 0.00 C ATOM 404 ND1 HIS A 26 11.089 -11.331 -0.931 1.00 0.00 N ATOM 405 CD2 HIS A 26 13.260 -11.377 -0.957 1.00 0.00 C ATOM 406 CE1 HIS A 26 11.452 -12.336 -1.697 1.00 0.00 C ATOM 407 NE2 HIS A 26 12.765 -12.391 -1.728 1.00 0.00 N ATOM 0 H HIS A 26 12.249 -7.646 1.988 1.00 0.00 H new ATOM 0 HA HIS A 26 14.022 -9.770 1.406 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.514 -9.749 1.303 1.00 0.00 H new ATOM 0 HB3 HIS A 26 11.609 -8.707 -0.102 1.00 0.00 H new ATOM 0 HD2 HIS A 26 14.303 -11.156 -0.785 1.00 0.00 H new ATOM 0 HE1 HIS A 26 10.782 -13.006 -2.215 1.00 0.00 H new ATOM 0 HE2 HIS A 26 13.321 -13.075 -2.241 1.00 0.00 H new ATOM 416 N LYS A 27 13.975 -7.265 -0.743 1.00 0.00 N ATOM 417 CA LYS A 27 14.706 -6.640 -1.847 1.00 0.00 C ATOM 418 C LYS A 27 16.182 -6.447 -1.496 1.00 0.00 C ATOM 419 O LYS A 27 17.060 -6.688 -2.325 1.00 0.00 O ATOM 420 CB LYS A 27 14.071 -5.288 -2.206 1.00 0.00 C ATOM 421 CG LYS A 27 14.851 -4.486 -3.245 1.00 0.00 C ATOM 422 CD LYS A 27 14.945 -5.215 -4.580 1.00 0.00 C ATOM 423 CE LYS A 27 13.575 -5.428 -5.198 1.00 0.00 C ATOM 424 NZ LYS A 27 12.861 -4.149 -5.438 1.00 0.00 N1+ ATOM 0 H LYS A 27 13.187 -6.714 -0.402 1.00 0.00 H new ATOM 0 HA LYS A 27 14.646 -7.305 -2.708 1.00 0.00 H new ATOM 0 HB2 LYS A 27 13.062 -5.461 -2.580 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.977 -4.691 -1.299 1.00 0.00 H new ATOM 0 HG2 LYS A 27 14.369 -3.520 -3.393 1.00 0.00 H new ATOM 0 HG3 LYS A 27 15.855 -4.287 -2.870 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.569 -4.641 -5.265 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.433 -6.179 -4.435 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.683 -5.964 -6.141 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.976 -6.058 -4.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.194 -4.267 -6.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.339 -3.877 -4.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.549 -3.406 -5.675 1.00 0.00 H new ATOM 438 N LYS A 28 16.444 -6.000 -0.270 1.00 0.00 N ATOM 439 CA LYS A 28 17.812 -5.819 0.210 1.00 0.00 C ATOM 440 C LYS A 28 18.647 -7.085 0.038 1.00 0.00 C ATOM 441 O LYS A 28 19.809 -7.025 -0.367 1.00 0.00 O ATOM 442 CB LYS A 28 17.810 -5.418 1.676 1.00 0.00 C ATOM 443 CG LYS A 28 17.103 -4.106 1.932 1.00 0.00 C ATOM 444 CD LYS A 28 17.684 -2.986 1.089 1.00 0.00 C ATOM 445 CE LYS A 28 16.928 -1.690 1.309 1.00 0.00 C ATOM 446 NZ LYS A 28 17.469 -0.583 0.476 1.00 0.00 N1+ ATOM 0 H LYS A 28 15.725 -5.756 0.411 1.00 0.00 H new ATOM 0 HA LYS A 28 18.260 -5.028 -0.391 1.00 0.00 H new ATOM 0 HB2 LYS A 28 17.329 -6.203 2.260 1.00 0.00 H new ATOM 0 HB3 LYS A 28 18.839 -5.344 2.027 1.00 0.00 H new ATOM 0 HG2 LYS A 28 16.041 -4.215 1.712 1.00 0.00 H new ATOM 0 HG3 LYS A 28 17.185 -3.848 2.988 1.00 0.00 H new ATOM 0 HD2 LYS A 28 18.735 -2.845 1.340 1.00 0.00 H new ATOM 0 HD3 LYS A 28 17.643 -3.261 0.035 1.00 0.00 H new ATOM 0 HE2 LYS A 28 15.874 -1.840 1.073 1.00 0.00 H new ATOM 0 HE3 LYS A 28 16.983 -1.412 2.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 16.925 0.285 0.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 18.467 -0.422 0.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 17.394 -0.837 -0.530 1.00 0.00 H new ATOM 460 N LYS A 29 18.042 -8.226 0.341 1.00 0.00 N ATOM 461 CA LYS A 29 18.757 -9.497 0.331 1.00 0.00 C ATOM 462 C LYS A 29 18.615 -10.243 -1.000 1.00 0.00 C ATOM 463 O LYS A 29 19.455 -11.076 -1.339 1.00 0.00 O ATOM 464 CB LYS A 29 18.272 -10.347 1.505 1.00 0.00 C ATOM 465 CG LYS A 29 18.680 -9.753 2.842 1.00 0.00 C ATOM 466 CD LYS A 29 17.869 -10.303 4.001 1.00 0.00 C ATOM 467 CE LYS A 29 18.396 -9.779 5.329 1.00 0.00 C ATOM 468 NZ LYS A 29 18.524 -8.295 5.335 1.00 0.00 N1+ ATOM 0 H LYS A 29 17.057 -8.298 0.597 1.00 0.00 H new ATOM 0 HA LYS A 29 19.822 -9.294 0.442 1.00 0.00 H new ATOM 0 HB2 LYS A 29 17.186 -10.437 1.464 1.00 0.00 H new ATOM 0 HB3 LYS A 29 18.679 -11.354 1.416 1.00 0.00 H new ATOM 0 HG2 LYS A 29 19.737 -9.954 3.016 1.00 0.00 H new ATOM 0 HG3 LYS A 29 18.563 -8.670 2.804 1.00 0.00 H new ATOM 0 HD2 LYS A 29 16.823 -10.022 3.884 1.00 0.00 H new ATOM 0 HD3 LYS A 29 17.909 -11.392 3.994 1.00 0.00 H new ATOM 0 HE2 LYS A 29 17.726 -10.088 6.132 1.00 0.00 H new ATOM 0 HE3 LYS A 29 19.368 -10.227 5.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 18.671 -7.963 6.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 19.335 -8.014 4.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 17.656 -7.870 4.952 1.00 0.00 H new ATOM 482 N HIS A 30 17.559 -9.954 -1.747 1.00 0.00 N ATOM 483 CA HIS A 30 17.382 -10.529 -3.082 1.00 0.00 C ATOM 484 C HIS A 30 17.045 -9.429 -4.083 1.00 0.00 C ATOM 485 O HIS A 30 15.877 -9.111 -4.299 1.00 0.00 O ATOM 486 CB HIS A 30 16.281 -11.600 -3.098 1.00 0.00 C ATOM 487 CG HIS A 30 16.613 -12.845 -2.328 1.00 0.00 C ATOM 488 ND1 HIS A 30 16.948 -14.039 -2.929 1.00 0.00 N ATOM 489 CD2 HIS A 30 16.640 -13.082 -0.994 1.00 0.00 C ATOM 490 CE1 HIS A 30 17.160 -14.952 -2.001 1.00 0.00 C ATOM 491 NE2 HIS A 30 16.981 -14.399 -0.819 1.00 0.00 N ATOM 0 H HIS A 30 16.810 -9.326 -1.456 1.00 0.00 H new ATOM 0 HA HIS A 30 18.320 -11.008 -3.363 1.00 0.00 H new ATOM 0 HB2 HIS A 30 15.366 -11.169 -2.691 1.00 0.00 H new ATOM 0 HB3 HIS A 30 16.072 -11.873 -4.132 1.00 0.00 H new ATOM 0 HD2 HIS A 30 16.431 -12.366 -0.213 1.00 0.00 H new ATOM 0 HE1 HIS A 30 17.434 -15.981 -2.180 1.00 0.00 H new ATOM 0 HE2 HIS A 30 17.080 -14.872 0.079 1.00 0.00 H new ATOM 500 N PRO A 31 18.074 -8.822 -4.690 1.00 0.00 N ATOM 501 CA PRO A 31 17.911 -7.671 -5.582 1.00 0.00 C ATOM 502 C PRO A 31 17.406 -8.044 -6.975 1.00 0.00 C ATOM 503 O PRO A 31 16.714 -7.257 -7.621 1.00 0.00 O ATOM 504 CB PRO A 31 19.328 -7.081 -5.683 1.00 0.00 C ATOM 505 CG PRO A 31 20.178 -7.874 -4.738 1.00 0.00 C ATOM 506 CD PRO A 31 19.483 -9.187 -4.541 1.00 0.00 C ATOM 0 HA PRO A 31 17.163 -6.982 -5.189 1.00 0.00 H new ATOM 0 HB2 PRO A 31 19.708 -7.152 -6.702 1.00 0.00 H new ATOM 0 HB3 PRO A 31 19.330 -6.024 -5.415 1.00 0.00 H new ATOM 0 HG2 PRO A 31 21.178 -8.022 -5.146 1.00 0.00 H new ATOM 0 HG3 PRO A 31 20.295 -7.351 -3.789 1.00 0.00 H new ATOM 0 HD2 PRO A 31 19.792 -9.925 -5.281 1.00 0.00 H new ATOM 0 HD3 PRO A 31 19.691 -9.613 -3.560 1.00 0.00 H new ATOM 514 N ASP A 32 17.748 -9.238 -7.440 1.00 0.00 N ATOM 515 CA ASP A 32 17.442 -9.625 -8.814 1.00 0.00 C ATOM 516 C ASP A 32 16.253 -10.575 -8.886 1.00 0.00 C ATOM 517 O ASP A 32 16.028 -11.231 -9.906 1.00 0.00 O ATOM 518 CB ASP A 32 18.667 -10.255 -9.481 1.00 0.00 C ATOM 519 CG ASP A 32 19.807 -9.269 -9.652 1.00 0.00 C ATOM 520 OD1 ASP A 32 19.661 -8.307 -10.436 1.00 0.00 O1- ATOM 521 OD2 ASP A 32 20.854 -9.441 -8.997 1.00 0.00 O ATOM 0 H ASP A 32 18.233 -9.950 -6.894 1.00 0.00 H new ATOM 0 HA ASP A 32 17.171 -8.718 -9.354 1.00 0.00 H new ATOM 0 HB2 ASP A 32 19.008 -11.100 -8.883 1.00 0.00 H new ATOM 0 HB3 ASP A 32 18.383 -10.650 -10.457 1.00 0.00 H new ATOM 526 N ALA A 33 15.489 -10.640 -7.808 1.00 0.00 N ATOM 527 CA ALA A 33 14.256 -11.415 -7.786 1.00 0.00 C ATOM 528 C ALA A 33 13.098 -10.541 -8.261 1.00 0.00 C ATOM 529 O ALA A 33 13.208 -9.320 -8.251 1.00 0.00 O ATOM 530 CB ALA A 33 13.997 -11.947 -6.380 1.00 0.00 C ATOM 0 H ALA A 33 15.701 -10.163 -6.932 1.00 0.00 H new ATOM 0 HA ALA A 33 14.348 -12.268 -8.458 1.00 0.00 H new ATOM 0 HB1 ALA A 33 13.073 -12.525 -6.374 1.00 0.00 H new ATOM 0 HB2 ALA A 33 14.826 -12.585 -6.074 1.00 0.00 H new ATOM 0 HB3 ALA A 33 13.907 -11.112 -5.686 1.00 0.00 H new ATOM 536 N SER A 34 11.997 -11.147 -8.695 1.00 0.00 N ATOM 537 CA SER A 34 10.834 -10.372 -9.129 1.00 0.00 C ATOM 538 C SER A 34 9.530 -11.077 -8.753 1.00 0.00 C ATOM 539 O SER A 34 9.207 -12.127 -9.307 1.00 0.00 O ATOM 540 CB SER A 34 10.891 -10.131 -10.640 1.00 0.00 C ATOM 541 OG SER A 34 12.101 -9.485 -11.009 1.00 0.00 O ATOM 0 H SER A 34 11.883 -12.159 -8.756 1.00 0.00 H new ATOM 0 HA SER A 34 10.858 -9.410 -8.616 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.807 -11.082 -11.167 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.041 -9.521 -10.947 1.00 0.00 H new ATOM 0 HG SER A 34 12.114 -9.344 -11.979 1.00 0.00 H new ATOM 547 N VAL A 35 8.796 -10.499 -7.797 1.00 0.00 N ATOM 548 CA VAL A 35 7.550 -11.100 -7.307 1.00 0.00 C ATOM 549 C VAL A 35 6.480 -11.116 -8.379 1.00 0.00 C ATOM 550 O VAL A 35 6.459 -10.268 -9.269 1.00 0.00 O ATOM 551 CB VAL A 35 6.935 -10.350 -6.094 1.00 0.00 C ATOM 552 CG1 VAL A 35 7.760 -10.508 -4.836 1.00 0.00 C ATOM 553 CG2 VAL A 35 6.744 -8.881 -6.408 1.00 0.00 C ATOM 0 H VAL A 35 9.042 -9.617 -7.347 1.00 0.00 H new ATOM 0 HA VAL A 35 7.840 -12.108 -7.009 1.00 0.00 H new ATOM 0 HB VAL A 35 5.963 -10.806 -5.907 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.286 -9.964 -4.019 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.829 -11.564 -4.577 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.760 -10.109 -5.004 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.312 -8.377 -5.543 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.708 -8.431 -6.646 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.074 -8.775 -7.261 1.00 0.00 H new ATOM 563 N ASN A 36 5.588 -12.082 -8.280 1.00 0.00 N ATOM 564 CA ASN A 36 4.349 -12.035 -9.026 1.00 0.00 C ATOM 565 C ASN A 36 3.354 -11.198 -8.239 1.00 0.00 C ATOM 566 O ASN A 36 3.030 -11.528 -7.093 1.00 0.00 O ATOM 567 CB ASN A 36 3.788 -13.439 -9.263 1.00 0.00 C ATOM 568 CG ASN A 36 4.604 -14.247 -10.251 1.00 0.00 C ATOM 569 OD1 ASN A 36 4.353 -14.208 -11.455 1.00 0.00 O ATOM 570 ND2 ASN A 36 5.571 -14.997 -9.748 1.00 0.00 N ATOM 0 H ASN A 36 5.699 -12.907 -7.691 1.00 0.00 H new ATOM 0 HA ASN A 36 4.533 -11.591 -10.004 1.00 0.00 H new ATOM 0 HB2 ASN A 36 3.747 -13.972 -8.313 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.764 -13.358 -9.628 1.00 0.00 H new ATOM 0 HD21 ASN A 36 6.143 -15.573 -10.365 1.00 0.00 H new ATOM 0 HD22 ASN A 36 5.745 -14.999 -8.743 1.00 0.00 H new ATOM 577 N PHE A 37 2.899 -10.108 -8.838 1.00 0.00 N ATOM 578 CA PHE A 37 2.037 -9.152 -8.152 1.00 0.00 C ATOM 579 C PHE A 37 0.789 -9.823 -7.583 1.00 0.00 C ATOM 580 O PHE A 37 0.489 -9.679 -6.396 1.00 0.00 O ATOM 581 CB PHE A 37 1.649 -8.016 -9.102 1.00 0.00 C ATOM 582 CG PHE A 37 2.646 -6.893 -9.145 1.00 0.00 C ATOM 583 CD1 PHE A 37 3.873 -7.050 -9.771 1.00 0.00 C ATOM 584 CD2 PHE A 37 2.350 -5.674 -8.554 1.00 0.00 C ATOM 585 CE1 PHE A 37 4.786 -6.014 -9.803 1.00 0.00 C ATOM 586 CE2 PHE A 37 3.259 -4.635 -8.584 1.00 0.00 C ATOM 587 CZ PHE A 37 4.479 -4.804 -9.206 1.00 0.00 C ATOM 0 H PHE A 37 3.113 -9.861 -9.804 1.00 0.00 H new ATOM 0 HA PHE A 37 2.598 -8.740 -7.313 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.528 -8.421 -10.107 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.680 -7.618 -8.800 1.00 0.00 H new ATOM 0 HD1 PHE A 37 4.118 -7.992 -10.239 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.397 -5.536 -8.064 1.00 0.00 H new ATOM 0 HE1 PHE A 37 5.739 -6.148 -10.294 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.015 -3.690 -8.121 1.00 0.00 H new ATOM 0 HZ PHE A 37 5.193 -3.994 -9.227 1.00 0.00 H new ATOM 597 N SER A 38 0.088 -10.577 -8.419 1.00 0.00 N ATOM 598 CA SER A 38 -1.149 -11.239 -8.012 1.00 0.00 C ATOM 599 C SER A 38 -0.902 -12.265 -6.900 1.00 0.00 C ATOM 600 O SER A 38 -1.749 -12.463 -6.026 1.00 0.00 O ATOM 601 CB SER A 38 -1.793 -11.909 -9.227 1.00 0.00 C ATOM 602 OG SER A 38 -1.952 -10.977 -10.286 1.00 0.00 O ATOM 0 H SER A 38 0.355 -10.747 -9.389 1.00 0.00 H new ATOM 0 HA SER A 38 -1.826 -10.485 -7.611 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.175 -12.743 -9.559 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.763 -12.322 -8.950 1.00 0.00 H new ATOM 0 HG SER A 38 -2.364 -11.423 -11.055 1.00 0.00 H new ATOM 608 N GLU A 39 0.263 -12.900 -6.933 1.00 0.00 N ATOM 609 CA GLU A 39 0.636 -13.884 -5.918 1.00 0.00 C ATOM 610 C GLU A 39 0.751 -13.243 -4.545 1.00 0.00 C ATOM 611 O GLU A 39 0.039 -13.604 -3.606 1.00 0.00 O ATOM 612 CB GLU A 39 1.980 -14.521 -6.270 1.00 0.00 C ATOM 613 CG GLU A 39 1.933 -15.456 -7.460 1.00 0.00 C ATOM 614 CD GLU A 39 1.354 -16.807 -7.107 1.00 0.00 C ATOM 615 OE1 GLU A 39 2.120 -17.674 -6.634 1.00 0.00 O1- ATOM 616 OE2 GLU A 39 0.140 -17.005 -7.296 1.00 0.00 O ATOM 0 H GLU A 39 0.970 -12.752 -7.653 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.147 -14.642 -5.894 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.702 -13.730 -6.472 1.00 0.00 H new ATOM 0 HB3 GLU A 39 2.346 -15.072 -5.404 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.336 -15.003 -8.251 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.940 -15.587 -7.856 1.00 0.00 H new ATOM 623 N PHE A 40 1.654 -12.282 -4.446 1.00 0.00 N ATOM 624 CA PHE A 40 2.012 -11.678 -3.173 1.00 0.00 C ATOM 625 C PHE A 40 0.832 -10.927 -2.561 1.00 0.00 C ATOM 626 O PHE A 40 0.580 -11.029 -1.360 1.00 0.00 O ATOM 627 CB PHE A 40 3.192 -10.728 -3.385 1.00 0.00 C ATOM 628 CG PHE A 40 3.974 -10.400 -2.138 1.00 0.00 C ATOM 629 CD1 PHE A 40 3.403 -9.674 -1.102 1.00 0.00 C ATOM 630 CD2 PHE A 40 5.296 -10.796 -2.018 1.00 0.00 C ATOM 631 CE1 PHE A 40 4.137 -9.354 0.027 1.00 0.00 C ATOM 632 CE2 PHE A 40 6.031 -10.483 -0.890 1.00 0.00 C ATOM 633 CZ PHE A 40 5.452 -9.758 0.132 1.00 0.00 C ATOM 0 H PHE A 40 2.159 -11.899 -5.245 1.00 0.00 H new ATOM 0 HA PHE A 40 2.293 -12.469 -2.477 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.869 -11.170 -4.115 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.819 -9.800 -3.817 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.374 -9.355 -1.178 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.759 -11.357 -2.817 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.680 -8.788 0.826 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.058 -10.806 -0.808 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.027 -9.508 1.011 1.00 0.00 H new ATOM 643 N SER A 41 0.111 -10.183 -3.391 1.00 0.00 N ATOM 644 CA SER A 41 -0.972 -9.338 -2.913 1.00 0.00 C ATOM 645 C SER A 41 -2.061 -10.156 -2.227 1.00 0.00 C ATOM 646 O SER A 41 -2.427 -9.877 -1.086 1.00 0.00 O ATOM 647 CB SER A 41 -1.555 -8.528 -4.071 1.00 0.00 C ATOM 648 OG SER A 41 -1.851 -9.364 -5.179 1.00 0.00 O ATOM 0 H SER A 41 0.258 -10.149 -4.400 1.00 0.00 H new ATOM 0 HA SER A 41 -0.563 -8.653 -2.171 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.461 -8.019 -3.743 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.847 -7.756 -4.372 1.00 0.00 H new ATOM 0 HG SER A 41 -1.046 -9.480 -5.726 1.00 0.00 H new ATOM 654 N LYS A 42 -2.554 -11.181 -2.912 1.00 0.00 N ATOM 655 CA LYS A 42 -3.641 -11.997 -2.388 1.00 0.00 C ATOM 656 C LYS A 42 -3.260 -12.659 -1.066 1.00 0.00 C ATOM 657 O LYS A 42 -3.960 -12.510 -0.063 1.00 0.00 O ATOM 658 CB LYS A 42 -4.049 -13.066 -3.403 1.00 0.00 C ATOM 659 CG LYS A 42 -5.181 -13.956 -2.911 1.00 0.00 C ATOM 660 CD LYS A 42 -5.535 -15.032 -3.922 1.00 0.00 C ATOM 661 CE LYS A 42 -6.678 -15.903 -3.426 1.00 0.00 C ATOM 662 NZ LYS A 42 -7.923 -15.120 -3.223 1.00 0.00 N1+ ATOM 0 H LYS A 42 -2.218 -11.466 -3.832 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.486 -11.333 -2.205 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.353 -12.581 -4.330 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -3.183 -13.686 -3.637 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.892 -14.423 -1.969 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.061 -13.345 -2.707 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.813 -14.567 -4.868 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.660 -15.653 -4.117 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.864 -16.701 -4.144 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.391 -16.379 -2.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.728 -15.770 -3.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.832 -14.539 -2.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.082 -14.502 -4.044 1.00 0.00 H new ATOM 676 N LYS A 43 -2.135 -13.364 -1.058 1.00 0.00 N ATOM 677 CA LYS A 43 -1.756 -14.166 0.099 1.00 0.00 C ATOM 678 C LYS A 43 -1.465 -13.297 1.327 1.00 0.00 C ATOM 679 O LYS A 43 -1.763 -13.688 2.457 1.00 0.00 O ATOM 680 CB LYS A 43 -0.545 -15.053 -0.228 1.00 0.00 C ATOM 681 CG LYS A 43 0.752 -14.292 -0.467 1.00 0.00 C ATOM 682 CD LYS A 43 1.916 -15.234 -0.742 1.00 0.00 C ATOM 683 CE LYS A 43 1.815 -15.871 -2.119 1.00 0.00 C ATOM 684 NZ LYS A 43 2.851 -16.919 -2.327 1.00 0.00 N1+ ATOM 0 H LYS A 43 -1.473 -13.397 -1.834 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.605 -14.805 0.341 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.393 -15.755 0.592 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.773 -15.644 -1.115 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.626 -13.614 -1.311 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.979 -13.678 0.404 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.854 -14.685 -0.664 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.939 -16.014 0.019 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.825 -16.310 -2.243 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.920 -15.101 -2.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.746 -17.327 -3.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.796 -16.496 -2.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.735 -17.668 -1.614 1.00 0.00 H new ATOM 698 N CYS A 44 -0.900 -12.118 1.107 1.00 0.00 N ATOM 699 CA CYS A 44 -0.488 -11.264 2.213 1.00 0.00 C ATOM 700 C CYS A 44 -1.593 -10.305 2.647 1.00 0.00 C ATOM 701 O CYS A 44 -1.619 -9.869 3.797 1.00 0.00 O ATOM 702 CB CYS A 44 0.779 -10.496 1.844 1.00 0.00 C ATOM 703 SG CYS A 44 2.170 -11.572 1.438 1.00 0.00 S ATOM 0 H CYS A 44 -0.717 -11.733 0.180 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.278 -11.912 3.064 1.00 0.00 H new ATOM 0 HB2 CYS A 44 0.569 -9.848 0.993 1.00 0.00 H new ATOM 0 HB3 CYS A 44 1.059 -9.849 2.675 1.00 0.00 H new ATOM 0 HG CYS A 44 2.979 -10.950 0.633 1.00 0.00 H new ATOM 709 N SER A 45 -2.514 -9.978 1.746 1.00 0.00 N ATOM 710 CA SER A 45 -3.611 -9.089 2.101 1.00 0.00 C ATOM 711 C SER A 45 -4.483 -9.733 3.171 1.00 0.00 C ATOM 712 O SER A 45 -4.748 -9.131 4.213 1.00 0.00 O ATOM 713 CB SER A 45 -4.449 -8.727 0.871 1.00 0.00 C ATOM 714 OG SER A 45 -4.883 -9.884 0.182 1.00 0.00 O ATOM 0 H SER A 45 -2.523 -10.309 0.781 1.00 0.00 H new ATOM 0 HA SER A 45 -3.187 -8.167 2.499 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.314 -8.139 1.179 1.00 0.00 H new ATOM 0 HB3 SER A 45 -3.861 -8.101 0.200 1.00 0.00 H new ATOM 0 HG SER A 45 -4.165 -10.206 -0.402 1.00 0.00 H new ATOM 720 N GLU A 46 -4.907 -10.966 2.919 1.00 0.00 N ATOM 721 CA GLU A 46 -5.706 -11.714 3.881 1.00 0.00 C ATOM 722 C GLU A 46 -4.875 -12.065 5.107 1.00 0.00 C ATOM 723 O GLU A 46 -5.397 -12.130 6.218 1.00 0.00 O ATOM 724 CB GLU A 46 -6.280 -12.969 3.230 1.00 0.00 C ATOM 725 CG GLU A 46 -7.196 -12.653 2.059 1.00 0.00 C ATOM 726 CD GLU A 46 -7.834 -13.884 1.457 1.00 0.00 C ATOM 727 OE1 GLU A 46 -8.868 -14.339 1.985 1.00 0.00 O1- ATOM 728 OE2 GLU A 46 -7.312 -14.392 0.444 1.00 0.00 O ATOM 0 H GLU A 46 -4.710 -11.470 2.054 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.537 -11.089 4.207 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.462 -13.602 2.886 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.833 -13.540 3.976 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.979 -11.971 2.391 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.626 -12.133 1.289 1.00 0.00 H new ATOM 735 N ARG A 47 -3.578 -12.260 4.893 1.00 0.00 N ATOM 736 CA ARG A 47 -2.632 -12.482 5.984 1.00 0.00 C ATOM 737 C ARG A 47 -2.697 -11.323 6.982 1.00 0.00 C ATOM 738 O ARG A 47 -2.641 -11.531 8.192 1.00 0.00 O ATOM 739 CB ARG A 47 -1.219 -12.614 5.414 1.00 0.00 C ATOM 740 CG ARG A 47 -0.171 -13.077 6.410 1.00 0.00 C ATOM 741 CD ARG A 47 1.175 -13.237 5.721 1.00 0.00 C ATOM 742 NE ARG A 47 2.188 -13.849 6.577 1.00 0.00 N ATOM 743 CZ ARG A 47 2.926 -14.894 6.201 1.00 0.00 C ATOM 744 NH1 ARG A 47 2.653 -15.522 5.063 1.00 0.00 N1+ ATOM 745 NH2 ARG A 47 3.912 -15.333 6.978 1.00 0.00 N ATOM 0 H ARG A 47 -3.154 -12.269 3.965 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.894 -13.402 6.507 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.243 -13.316 4.580 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.914 -11.649 5.009 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.088 -12.356 7.223 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.475 -14.025 6.854 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.048 -13.846 4.826 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.527 -12.259 5.394 1.00 0.00 H new ATOM 0 HE ARG A 47 2.338 -13.458 7.507 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.880 -15.205 4.478 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.217 -16.322 4.774 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.106 -14.870 7.866 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.474 -16.133 6.686 1.00 0.00 H new ATOM 759 N TRP A 48 -2.825 -10.106 6.458 1.00 0.00 N ATOM 760 CA TRP A 48 -2.989 -8.918 7.290 1.00 0.00 C ATOM 761 C TRP A 48 -4.328 -8.948 8.020 1.00 0.00 C ATOM 762 O TRP A 48 -4.389 -8.721 9.225 1.00 0.00 O ATOM 763 CB TRP A 48 -2.885 -7.643 6.437 1.00 0.00 C ATOM 764 CG TRP A 48 -3.381 -6.401 7.130 1.00 0.00 C ATOM 765 CD1 TRP A 48 -4.656 -5.905 7.104 1.00 0.00 C ATOM 766 CD2 TRP A 48 -2.619 -5.498 7.942 1.00 0.00 C ATOM 767 NE1 TRP A 48 -4.732 -4.758 7.853 1.00 0.00 N ATOM 768 CE2 TRP A 48 -3.496 -4.487 8.378 1.00 0.00 C ATOM 769 CE3 TRP A 48 -1.284 -5.447 8.344 1.00 0.00 C ATOM 770 CZ2 TRP A 48 -3.080 -3.443 9.198 1.00 0.00 C ATOM 771 CZ3 TRP A 48 -0.871 -4.409 9.158 1.00 0.00 C ATOM 772 CH2 TRP A 48 -1.766 -3.420 9.578 1.00 0.00 C ATOM 0 H TRP A 48 -2.818 -9.917 5.456 1.00 0.00 H new ATOM 0 HA TRP A 48 -2.189 -8.913 8.031 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -1.844 -7.495 6.149 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -3.453 -7.786 5.518 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -5.483 -6.352 6.571 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -5.572 -4.198 7.996 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.585 -6.206 8.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -3.770 -2.678 9.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 0.160 -4.361 9.475 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -1.413 -2.622 10.215 1.00 0.00 H new ATOM 783 N LYS A 49 -5.391 -9.243 7.281 1.00 0.00 N ATOM 784 CA LYS A 49 -6.752 -9.173 7.812 1.00 0.00 C ATOM 785 C LYS A 49 -6.913 -10.041 9.059 1.00 0.00 C ATOM 786 O LYS A 49 -7.487 -9.609 10.061 1.00 0.00 O ATOM 787 CB LYS A 49 -7.761 -9.614 6.749 1.00 0.00 C ATOM 788 CG LYS A 49 -7.528 -8.993 5.381 1.00 0.00 C ATOM 789 CD LYS A 49 -8.619 -9.387 4.399 1.00 0.00 C ATOM 790 CE LYS A 49 -8.289 -8.914 2.996 1.00 0.00 C ATOM 791 NZ LYS A 49 -9.314 -9.332 2.004 1.00 0.00 N1+ ATOM 0 H LYS A 49 -5.338 -9.535 6.305 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.942 -8.136 8.089 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.724 -10.699 6.655 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.765 -9.358 7.087 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.495 -7.907 5.474 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.559 -9.310 4.996 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.741 -10.470 4.402 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.570 -8.959 4.716 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.205 -7.827 2.992 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.318 -9.310 2.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.037 -9.001 1.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -9.390 -10.369 1.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.233 -8.919 2.260 1.00 0.00 H new ATOM 805 N THR A 50 -6.380 -11.253 9.002 1.00 0.00 N ATOM 806 CA THR A 50 -6.528 -12.208 10.091 1.00 0.00 C ATOM 807 C THR A 50 -5.286 -12.236 10.992 1.00 0.00 C ATOM 808 O THR A 50 -5.121 -13.141 11.813 1.00 0.00 O ATOM 809 CB THR A 50 -6.819 -13.622 9.531 1.00 0.00 C ATOM 810 OG1 THR A 50 -6.925 -14.580 10.593 1.00 0.00 O ATOM 811 CG2 THR A 50 -5.738 -14.058 8.553 1.00 0.00 C ATOM 0 H THR A 50 -5.839 -11.599 8.210 1.00 0.00 H new ATOM 0 HA THR A 50 -7.372 -11.886 10.701 1.00 0.00 H new ATOM 0 HB THR A 50 -7.770 -13.574 9.001 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.237 -14.399 11.267 1.00 0.00 H new ATOM 0 HG21 THR A 50 -5.969 -15.054 8.176 1.00 0.00 H new ATOM 0 HG22 THR A 50 -5.696 -13.356 7.720 1.00 0.00 H new ATOM 0 HG23 THR A 50 -4.774 -14.077 9.061 1.00 0.00 H new ATOM 819 N MET A 51 -4.429 -11.231 10.858 1.00 0.00 N ATOM 820 CA MET A 51 -3.210 -11.150 11.660 1.00 0.00 C ATOM 821 C MET A 51 -3.538 -10.774 13.106 1.00 0.00 C ATOM 822 O MET A 51 -4.604 -10.220 13.383 1.00 0.00 O ATOM 823 CB MET A 51 -2.257 -10.105 11.073 1.00 0.00 C ATOM 824 CG MET A 51 -0.883 -10.091 11.727 1.00 0.00 C ATOM 825 SD MET A 51 -0.050 -8.501 11.578 1.00 0.00 S ATOM 826 CE MET A 51 -0.126 -8.234 9.816 1.00 0.00 C ATOM 0 H MET A 51 -4.554 -10.460 10.202 1.00 0.00 H new ATOM 0 HA MET A 51 -2.732 -12.129 11.645 1.00 0.00 H new ATOM 0 HB2 MET A 51 -2.139 -10.293 10.006 1.00 0.00 H new ATOM 0 HB3 MET A 51 -2.708 -9.118 11.175 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.986 -10.344 12.782 1.00 0.00 H new ATOM 0 HG3 MET A 51 -0.263 -10.864 11.273 1.00 0.00 H new ATOM 0 HE1 MET A 51 0.528 -7.405 9.545 1.00 0.00 H new ATOM 0 HE2 MET A 51 0.198 -9.136 9.297 1.00 0.00 H new ATOM 0 HE3 MET A 51 -1.150 -7.997 9.528 1.00 0.00 H new ATOM 836 N SER A 52 -2.628 -11.094 14.019 1.00 0.00 N ATOM 837 CA SER A 52 -2.725 -10.651 15.402 1.00 0.00 C ATOM 838 C SER A 52 -2.781 -9.121 15.463 1.00 0.00 C ATOM 839 O SER A 52 -1.968 -8.438 14.834 1.00 0.00 O ATOM 840 CB SER A 52 -1.517 -11.176 16.179 1.00 0.00 C ATOM 841 OG SER A 52 -1.245 -12.525 15.830 1.00 0.00 O ATOM 0 H SER A 52 -1.806 -11.665 13.821 1.00 0.00 H new ATOM 0 HA SER A 52 -3.638 -11.042 15.850 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.645 -10.557 15.967 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.707 -11.103 17.250 1.00 0.00 H new ATOM 0 HG SER A 52 -0.468 -12.843 16.335 1.00 0.00 H new ATOM 847 N ALA A 53 -3.740 -8.594 16.216 1.00 0.00 N ATOM 848 CA ALA A 53 -3.982 -7.154 16.281 1.00 0.00 C ATOM 849 C ALA A 53 -2.770 -6.386 16.798 1.00 0.00 C ATOM 850 O ALA A 53 -2.534 -5.245 16.401 1.00 0.00 O ATOM 851 CB ALA A 53 -5.193 -6.867 17.152 1.00 0.00 C ATOM 0 H ALA A 53 -4.370 -9.148 16.797 1.00 0.00 H new ATOM 0 HA ALA A 53 -4.173 -6.811 15.264 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.364 -5.791 17.194 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.070 -7.358 16.730 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.015 -7.245 18.159 1.00 0.00 H new ATOM 857 N LYS A 54 -2.000 -7.015 17.675 1.00 0.00 N ATOM 858 CA LYS A 54 -0.826 -6.374 18.256 1.00 0.00 C ATOM 859 C LYS A 54 0.296 -6.255 17.233 1.00 0.00 C ATOM 860 O LYS A 54 1.056 -5.287 17.246 1.00 0.00 O ATOM 861 CB LYS A 54 -0.355 -7.134 19.497 1.00 0.00 C ATOM 862 CG LYS A 54 -0.996 -6.651 20.793 1.00 0.00 C ATOM 863 CD LYS A 54 -2.513 -6.586 20.691 1.00 0.00 C ATOM 864 CE LYS A 54 -3.144 -6.134 21.998 1.00 0.00 C ATOM 865 NZ LYS A 54 -2.917 -7.112 23.094 1.00 0.00 N1+ ATOM 0 H LYS A 54 -2.166 -7.967 18.000 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.107 -5.366 18.560 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.573 -8.194 19.367 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.728 -7.040 19.581 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.716 -7.320 21.607 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.607 -5.664 21.044 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.795 -5.899 19.893 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.902 -7.567 20.419 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.731 -5.167 22.284 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.215 -5.993 21.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.513 -6.864 23.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.163 -8.067 22.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.916 -7.090 23.377 1.00 0.00 H new ATOM 879 N GLU A 55 0.391 -7.228 16.335 1.00 0.00 N ATOM 880 CA GLU A 55 1.358 -7.153 15.252 1.00 0.00 C ATOM 881 C GLU A 55 0.931 -6.091 14.248 1.00 0.00 C ATOM 882 O GLU A 55 1.766 -5.353 13.731 1.00 0.00 O ATOM 883 CB GLU A 55 1.535 -8.510 14.571 1.00 0.00 C ATOM 884 CG GLU A 55 2.393 -9.479 15.365 1.00 0.00 C ATOM 885 CD GLU A 55 3.806 -8.964 15.570 1.00 0.00 C ATOM 886 OE1 GLU A 55 4.573 -8.911 14.586 1.00 0.00 O ATOM 887 OE2 GLU A 55 4.163 -8.628 16.719 1.00 0.00 O1- ATOM 0 H GLU A 55 -0.185 -8.070 16.336 1.00 0.00 H new ATOM 0 HA GLU A 55 2.324 -6.871 15.671 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.554 -8.956 14.407 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.985 -8.359 13.590 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.930 -9.659 16.335 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.430 -10.437 14.846 1.00 0.00 H new ATOM 894 N LYS A 56 -0.374 -6.006 13.994 1.00 0.00 N ATOM 895 CA LYS A 56 -0.926 -4.925 13.180 1.00 0.00 C ATOM 896 C LYS A 56 -0.510 -3.574 13.760 1.00 0.00 C ATOM 897 O LYS A 56 -0.127 -2.656 13.032 1.00 0.00 O ATOM 898 CB LYS A 56 -2.455 -5.008 13.132 1.00 0.00 C ATOM 899 CG LYS A 56 -2.995 -6.268 12.474 1.00 0.00 C ATOM 900 CD LYS A 56 -4.518 -6.300 12.503 1.00 0.00 C ATOM 901 CE LYS A 56 -5.055 -7.574 11.877 1.00 0.00 C ATOM 902 NZ LYS A 56 -6.541 -7.624 11.866 1.00 0.00 N1+ ATOM 0 H LYS A 56 -1.067 -6.671 14.339 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.536 -5.026 12.167 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -2.842 -4.949 14.149 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -2.837 -4.140 12.595 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -2.648 -6.319 11.442 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.601 -7.146 12.987 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.866 -6.224 13.533 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.912 -5.436 11.969 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.685 -7.656 10.855 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.670 -8.434 12.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.859 -8.360 11.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.888 -7.845 12.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.917 -6.702 11.566 1.00 0.00 H new ATOM 916 N GLY A 57 -0.573 -3.476 15.087 1.00 0.00 N ATOM 917 CA GLY A 57 -0.168 -2.264 15.774 1.00 0.00 C ATOM 918 C GLY A 57 1.308 -1.966 15.597 1.00 0.00 C ATOM 919 O GLY A 57 1.713 -0.806 15.584 1.00 0.00 O ATOM 0 H GLY A 57 -0.900 -4.222 15.701 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.753 -1.424 15.399 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.392 -2.360 16.836 1.00 0.00 H new ATOM 923 N LYS A 58 2.110 -3.013 15.449 1.00 0.00 N ATOM 924 CA LYS A 58 3.538 -2.858 15.205 1.00 0.00 C ATOM 925 C LYS A 58 3.770 -2.150 13.873 1.00 0.00 C ATOM 926 O LYS A 58 4.608 -1.252 13.769 1.00 0.00 O ATOM 927 CB LYS A 58 4.224 -4.224 15.188 1.00 0.00 C ATOM 928 CG LYS A 58 5.737 -4.154 15.060 1.00 0.00 C ATOM 929 CD LYS A 58 6.334 -5.530 14.822 1.00 0.00 C ATOM 930 CE LYS A 58 6.073 -6.017 13.404 1.00 0.00 C ATOM 931 NZ LYS A 58 6.426 -7.452 13.241 1.00 0.00 N1+ ATOM 0 H LYS A 58 1.794 -3.982 15.494 1.00 0.00 H new ATOM 0 HA LYS A 58 3.963 -2.257 16.008 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.971 -4.757 16.104 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.826 -4.809 14.359 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.004 -3.492 14.237 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.161 -3.723 15.967 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.408 -5.497 15.004 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.911 -6.239 15.534 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.022 -5.871 13.157 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.652 -5.418 12.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.464 -7.687 12.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.355 -7.632 13.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.707 -8.041 13.707 1.00 0.00 H new ATOM 945 N PHE A 59 3.013 -2.551 12.857 1.00 0.00 N ATOM 946 CA PHE A 59 3.115 -1.929 11.544 1.00 0.00 C ATOM 947 C PHE A 59 2.560 -0.512 11.589 1.00 0.00 C ATOM 948 O PHE A 59 3.026 0.370 10.872 1.00 0.00 O ATOM 949 CB PHE A 59 2.381 -2.760 10.488 1.00 0.00 C ATOM 950 CG PHE A 59 2.948 -4.144 10.321 1.00 0.00 C ATOM 951 CD1 PHE A 59 4.119 -4.347 9.609 1.00 0.00 C ATOM 952 CD2 PHE A 59 2.321 -5.238 10.889 1.00 0.00 C ATOM 953 CE1 PHE A 59 4.649 -5.617 9.467 1.00 0.00 C ATOM 954 CE2 PHE A 59 2.847 -6.507 10.753 1.00 0.00 C ATOM 955 CZ PHE A 59 4.012 -6.697 10.043 1.00 0.00 C ATOM 0 H PHE A 59 2.325 -3.301 12.918 1.00 0.00 H new ATOM 0 HA PHE A 59 4.168 -1.884 11.266 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.329 -2.836 10.762 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.424 -2.239 9.531 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.624 -3.504 9.160 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.407 -5.098 11.447 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.560 -5.763 8.906 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.345 -7.351 11.203 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.426 -7.689 9.937 1.00 0.00 H new ATOM 965 N GLU A 60 1.562 -0.305 12.439 1.00 0.00 N ATOM 966 CA GLU A 60 0.987 1.017 12.657 1.00 0.00 C ATOM 967 C GLU A 60 1.996 1.926 13.364 1.00 0.00 C ATOM 968 O GLU A 60 2.082 3.121 13.081 1.00 0.00 O ATOM 969 CB GLU A 60 -0.299 0.884 13.481 1.00 0.00 C ATOM 970 CG GLU A 60 -0.949 2.205 13.856 1.00 0.00 C ATOM 971 CD GLU A 60 -1.376 3.021 12.656 1.00 0.00 C ATOM 972 OE1 GLU A 60 -2.057 2.471 11.765 1.00 0.00 O1- ATOM 973 OE2 GLU A 60 -1.035 4.221 12.607 1.00 0.00 O ATOM 0 H GLU A 60 1.130 -1.044 12.994 1.00 0.00 H new ATOM 0 HA GLU A 60 0.744 1.469 11.695 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.017 0.288 12.917 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.075 0.332 14.394 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.819 2.009 14.482 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.250 2.789 14.455 1.00 0.00 H new ATOM 980 N ASP A 61 2.754 1.348 14.287 1.00 0.00 N ATOM 981 CA ASP A 61 3.829 2.065 14.966 1.00 0.00 C ATOM 982 C ASP A 61 4.898 2.501 13.973 1.00 0.00 C ATOM 983 O ASP A 61 5.300 3.667 13.946 1.00 0.00 O ATOM 984 CB ASP A 61 4.454 1.185 16.054 1.00 0.00 C ATOM 985 CG ASP A 61 5.781 1.728 16.553 1.00 0.00 C ATOM 986 OD1 ASP A 61 5.795 2.804 17.182 1.00 0.00 O1- ATOM 987 OD2 ASP A 61 6.821 1.082 16.308 1.00 0.00 O ATOM 0 H ASP A 61 2.644 0.379 14.585 1.00 0.00 H new ATOM 0 HA ASP A 61 3.403 2.954 15.431 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.761 1.102 16.892 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.602 0.179 15.662 1.00 0.00 H new ATOM 992 N MET A 62 5.345 1.560 13.149 1.00 0.00 N ATOM 993 CA MET A 62 6.356 1.847 12.138 1.00 0.00 C ATOM 994 C MET A 62 5.826 2.841 11.113 1.00 0.00 C ATOM 995 O MET A 62 6.578 3.662 10.592 1.00 0.00 O ATOM 996 CB MET A 62 6.814 0.564 11.440 1.00 0.00 C ATOM 997 CG MET A 62 7.541 -0.403 12.359 1.00 0.00 C ATOM 998 SD MET A 62 8.202 -1.835 11.484 1.00 0.00 S ATOM 999 CE MET A 62 6.707 -2.555 10.817 1.00 0.00 C ATOM 0 H MET A 62 5.023 0.592 13.161 1.00 0.00 H new ATOM 0 HA MET A 62 7.215 2.290 12.642 1.00 0.00 H new ATOM 0 HB2 MET A 62 5.945 0.063 11.013 1.00 0.00 H new ATOM 0 HB3 MET A 62 7.470 0.826 10.610 1.00 0.00 H new ATOM 0 HG2 MET A 62 8.357 0.121 12.858 1.00 0.00 H new ATOM 0 HG3 MET A 62 6.857 -0.742 13.137 1.00 0.00 H new ATOM 0 HE1 MET A 62 6.953 -3.471 10.279 1.00 0.00 H new ATOM 0 HE2 MET A 62 6.020 -2.786 11.631 1.00 0.00 H new ATOM 0 HE3 MET A 62 6.236 -1.848 10.134 1.00 0.00 H new ATOM 1009 N ALA A 63 4.528 2.766 10.838 1.00 0.00 N ATOM 1010 CA ALA A 63 3.877 3.707 9.937 1.00 0.00 C ATOM 1011 C ALA A 63 4.128 5.142 10.385 1.00 0.00 C ATOM 1012 O ALA A 63 4.463 6.003 9.579 1.00 0.00 O ATOM 1013 CB ALA A 63 2.381 3.427 9.866 1.00 0.00 C ATOM 0 H ALA A 63 3.905 2.059 11.229 1.00 0.00 H new ATOM 0 HA ALA A 63 4.302 3.579 8.942 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.909 4.139 9.189 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.217 2.414 9.499 1.00 0.00 H new ATOM 0 HB3 ALA A 63 1.944 3.528 10.860 1.00 0.00 H new ATOM 1019 N LYS A 64 3.991 5.383 11.683 1.00 0.00 N ATOM 1020 CA LYS A 64 4.223 6.708 12.244 1.00 0.00 C ATOM 1021 C LYS A 64 5.699 7.079 12.177 1.00 0.00 C ATOM 1022 O LYS A 64 6.042 8.216 11.861 1.00 0.00 O ATOM 1023 CB LYS A 64 3.743 6.767 13.694 1.00 0.00 C ATOM 1024 CG LYS A 64 2.256 6.522 13.855 1.00 0.00 C ATOM 1025 CD LYS A 64 1.838 6.635 15.311 1.00 0.00 C ATOM 1026 CE LYS A 64 0.354 6.378 15.490 1.00 0.00 C ATOM 1027 NZ LYS A 64 -0.033 5.023 15.021 1.00 0.00 N1+ ATOM 0 H LYS A 64 3.720 4.677 12.368 1.00 0.00 H new ATOM 0 HA LYS A 64 3.656 7.425 11.650 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.289 6.027 14.278 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.988 7.745 14.109 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.699 7.242 13.256 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.004 5.531 13.477 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.406 5.922 15.909 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.083 7.630 15.684 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.091 6.487 16.542 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.214 7.129 14.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.823 4.669 15.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.326 5.071 14.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.779 4.379 15.112 1.00 0.00 H new ATOM 1041 N ALA A 65 6.563 6.112 12.462 1.00 0.00 N ATOM 1042 CA ALA A 65 8.003 6.342 12.463 1.00 0.00 C ATOM 1043 C ALA A 65 8.493 6.768 11.082 1.00 0.00 C ATOM 1044 O ALA A 65 9.228 7.750 10.946 1.00 0.00 O ATOM 1045 CB ALA A 65 8.735 5.090 12.925 1.00 0.00 C ATOM 0 H ALA A 65 6.290 5.157 12.696 1.00 0.00 H new ATOM 0 HA ALA A 65 8.217 7.153 13.159 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.809 5.274 12.921 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.414 4.833 13.935 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.506 4.265 12.250 1.00 0.00 H new ATOM 1051 N ASP A 66 8.079 6.028 10.064 1.00 0.00 N ATOM 1052 CA ASP A 66 8.462 6.335 8.691 1.00 0.00 C ATOM 1053 C ASP A 66 7.750 7.587 8.187 1.00 0.00 C ATOM 1054 O ASP A 66 8.325 8.367 7.430 1.00 0.00 O ATOM 1055 CB ASP A 66 8.163 5.155 7.764 1.00 0.00 C ATOM 1056 CG ASP A 66 9.189 4.042 7.864 1.00 0.00 C ATOM 1057 OD1 ASP A 66 9.185 3.294 8.864 1.00 0.00 O ATOM 1058 OD2 ASP A 66 10.013 3.908 6.933 1.00 0.00 O1- ATOM 0 H ASP A 66 7.478 5.210 10.161 1.00 0.00 H new ATOM 0 HA ASP A 66 9.536 6.522 8.685 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.178 4.755 8.002 1.00 0.00 H new ATOM 0 HB3 ASP A 66 8.122 5.511 6.735 1.00 0.00 H new ATOM 1063 N LYS A 67 6.501 7.784 8.614 1.00 0.00 N ATOM 1064 CA LYS A 67 5.741 8.973 8.233 1.00 0.00 C ATOM 1065 C LYS A 67 6.392 10.234 8.788 1.00 0.00 C ATOM 1066 O LYS A 67 6.555 11.218 8.073 1.00 0.00 O ATOM 1067 CB LYS A 67 4.294 8.893 8.720 1.00 0.00 C ATOM 1068 CG LYS A 67 3.470 10.115 8.347 1.00 0.00 C ATOM 1069 CD LYS A 67 2.064 10.044 8.914 1.00 0.00 C ATOM 1070 CE LYS A 67 2.069 10.032 10.438 1.00 0.00 C ATOM 1071 NZ LYS A 67 2.499 11.336 11.016 1.00 0.00 N1+ ATOM 0 H LYS A 67 5.997 7.138 9.221 1.00 0.00 H new ATOM 0 HA LYS A 67 5.740 9.017 7.144 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.824 8.004 8.300 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.288 8.775 9.804 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.965 11.013 8.716 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.420 10.202 7.262 1.00 0.00 H new ATOM 0 HD2 LYS A 67 1.485 10.897 8.559 1.00 0.00 H new ATOM 0 HD3 LYS A 67 1.568 9.146 8.545 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.070 9.789 10.800 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.735 9.244 10.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 3.191 11.168 11.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.935 11.918 10.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.672 11.833 11.405 1.00 0.00 H new ATOM 1085 N ALA A 68 6.761 10.198 10.062 1.00 0.00 N ATOM 1086 CA ALA A 68 7.431 11.327 10.693 1.00 0.00 C ATOM 1087 C ALA A 68 8.752 11.605 9.994 1.00 0.00 C ATOM 1088 O ALA A 68 9.129 12.760 9.791 1.00 0.00 O ATOM 1089 CB ALA A 68 7.650 11.063 12.176 1.00 0.00 C ATOM 0 H ALA A 68 6.608 9.400 10.678 1.00 0.00 H new ATOM 0 HA ALA A 68 6.795 12.207 10.600 1.00 0.00 H new ATOM 0 HB1 ALA A 68 8.152 11.919 12.628 1.00 0.00 H new ATOM 0 HB2 ALA A 68 6.688 10.907 12.664 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.268 10.173 12.300 1.00 0.00 H new ATOM 1095 N ARG A 69 9.443 10.539 9.600 1.00 0.00 N ATOM 1096 CA ARG A 69 10.678 10.685 8.849 1.00 0.00 C ATOM 1097 C ARG A 69 10.370 11.322 7.500 1.00 0.00 C ATOM 1098 O ARG A 69 11.090 12.203 7.049 1.00 0.00 O ATOM 1099 CB ARG A 69 11.365 9.335 8.639 1.00 0.00 C ATOM 1100 CG ARG A 69 12.794 9.458 8.123 1.00 0.00 C ATOM 1101 CD ARG A 69 13.312 8.141 7.568 1.00 0.00 C ATOM 1102 NE ARG A 69 12.684 7.809 6.288 1.00 0.00 N ATOM 1103 CZ ARG A 69 11.949 6.719 6.075 1.00 0.00 C ATOM 1104 NH1 ARG A 69 11.778 5.837 7.050 1.00 0.00 N1+ ATOM 1105 NH2 ARG A 69 11.413 6.501 4.880 1.00 0.00 N ATOM 0 H ARG A 69 9.169 9.575 9.788 1.00 0.00 H new ATOM 0 HA ARG A 69 11.356 11.321 9.418 1.00 0.00 H new ATOM 0 HB2 ARG A 69 11.373 8.789 9.582 1.00 0.00 H new ATOM 0 HB3 ARG A 69 10.781 8.744 7.933 1.00 0.00 H new ATOM 0 HG2 ARG A 69 12.835 10.221 7.345 1.00 0.00 H new ATOM 0 HG3 ARG A 69 13.444 9.792 8.931 1.00 0.00 H new ATOM 0 HD2 ARG A 69 14.393 8.200 7.439 1.00 0.00 H new ATOM 0 HD3 ARG A 69 13.120 7.343 8.285 1.00 0.00 H new ATOM 0 HE ARG A 69 12.818 8.454 5.509 1.00 0.00 H new ATOM 0 HH11 ARG A 69 12.209 5.994 7.961 1.00 0.00 H new ATOM 0 HH12 ARG A 69 11.215 5.002 6.889 1.00 0.00 H new ATOM 0 HH21 ARG A 69 11.564 7.169 4.124 1.00 0.00 H new ATOM 0 HH22 ARG A 69 10.850 5.666 4.718 1.00 0.00 H new ATOM 1119 N TYR A 70 9.288 10.871 6.869 1.00 0.00 N ATOM 1120 CA TYR A 70 8.823 11.449 5.619 1.00 0.00 C ATOM 1121 C TYR A 70 8.579 12.942 5.784 1.00 0.00 C ATOM 1122 O TYR A 70 9.087 13.747 5.016 1.00 0.00 O ATOM 1123 CB TYR A 70 7.530 10.756 5.161 1.00 0.00 C ATOM 1124 CG TYR A 70 6.806 11.476 4.039 1.00 0.00 C ATOM 1125 CD1 TYR A 70 5.949 12.538 4.302 1.00 0.00 C ATOM 1126 CD2 TYR A 70 6.991 11.103 2.720 1.00 0.00 C ATOM 1127 CE1 TYR A 70 5.300 13.202 3.284 1.00 0.00 C ATOM 1128 CE2 TYR A 70 6.348 11.763 1.694 1.00 0.00 C ATOM 1129 CZ TYR A 70 5.503 12.809 1.979 1.00 0.00 C ATOM 1130 OH TYR A 70 4.860 13.464 0.955 1.00 0.00 O ATOM 0 H TYR A 70 8.715 10.099 7.210 1.00 0.00 H new ATOM 0 HA TYR A 70 9.593 11.299 4.862 1.00 0.00 H new ATOM 0 HB2 TYR A 70 7.769 9.744 4.834 1.00 0.00 H new ATOM 0 HB3 TYR A 70 6.857 10.665 6.014 1.00 0.00 H new ATOM 0 HD1 TYR A 70 5.789 12.849 5.324 1.00 0.00 H new ATOM 0 HD2 TYR A 70 7.651 10.280 2.489 1.00 0.00 H new ATOM 0 HE1 TYR A 70 4.637 14.025 3.507 1.00 0.00 H new ATOM 0 HE2 TYR A 70 6.508 11.459 0.670 1.00 0.00 H new ATOM 0 HH TYR A 70 5.115 13.062 0.098 1.00 0.00 H new ATOM 1140 N GLU A 71 7.794 13.295 6.793 1.00 0.00 N ATOM 1141 CA GLU A 71 7.407 14.672 7.035 1.00 0.00 C ATOM 1142 C GLU A 71 8.632 15.561 7.255 1.00 0.00 C ATOM 1143 O GLU A 71 8.683 16.698 6.778 1.00 0.00 O ATOM 1144 CB GLU A 71 6.451 14.716 8.231 1.00 0.00 C ATOM 1145 CG GLU A 71 5.123 14.019 7.949 1.00 0.00 C ATOM 1146 CD GLU A 71 4.179 13.995 9.136 1.00 0.00 C ATOM 1147 OE1 GLU A 71 4.224 13.026 9.919 1.00 0.00 O1- ATOM 1148 OE2 GLU A 71 3.361 14.930 9.273 1.00 0.00 O ATOM 0 H GLU A 71 7.409 12.632 7.465 1.00 0.00 H new ATOM 0 HA GLU A 71 6.893 15.065 6.158 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.929 14.245 9.090 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.261 15.755 8.501 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.631 14.520 7.115 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.321 12.995 7.634 1.00 0.00 H new ATOM 1390 N GLN B 16 -25.114 -34.197 -22.775 1.00 0.00 N ATOM 1391 CA GLN B 16 -25.719 -33.297 -23.752 1.00 0.00 C ATOM 1392 C GLN B 16 -24.643 -32.695 -24.649 1.00 0.00 C ATOM 1393 O GLN B 16 -24.260 -31.531 -24.504 1.00 0.00 O ATOM 1394 CB GLN B 16 -26.556 -32.204 -23.077 1.00 0.00 C ATOM 1395 CG GLN B 16 -27.937 -32.676 -22.650 1.00 0.00 C ATOM 1396 CD GLN B 16 -28.790 -31.559 -22.080 1.00 0.00 C ATOM 1397 OE1 GLN B 16 -28.606 -30.386 -22.408 1.00 0.00 O ATOM 1398 NE2 GLN B 16 -29.752 -31.917 -21.247 1.00 0.00 N ATOM 0 HA GLN B 16 -26.401 -33.880 -24.371 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -26.020 -31.835 -22.203 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -26.664 -31.364 -23.763 1.00 0.00 H new ATOM 0 HG2 GLN B 16 -28.447 -33.115 -23.507 1.00 0.00 H new ATOM 0 HG3 GLN B 16 -27.832 -33.464 -21.904 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -29.873 -32.899 -20.999 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -30.373 -31.211 -20.852 1.00 0.00 H new ATOM 1407 N GLU B 17 -24.167 -33.520 -25.574 1.00 0.00 N ATOM 1408 CA GLU B 17 -23.031 -33.189 -26.426 1.00 0.00 C ATOM 1409 C GLU B 17 -23.341 -31.989 -27.311 1.00 0.00 C ATOM 1410 O GLU B 17 -22.706 -30.941 -27.199 1.00 0.00 O ATOM 1411 CB GLU B 17 -22.688 -34.399 -27.297 1.00 0.00 C ATOM 1412 CG GLU B 17 -22.592 -35.696 -26.514 1.00 0.00 C ATOM 1413 CD GLU B 17 -22.552 -36.915 -27.411 1.00 0.00 C ATOM 1414 OE1 GLU B 17 -23.569 -37.191 -28.086 1.00 0.00 O1- ATOM 1415 OE2 GLU B 17 -21.516 -37.604 -27.443 1.00 0.00 O ATOM 0 H GLU B 17 -24.561 -34.443 -25.755 1.00 0.00 H new ATOM 0 HA GLU B 17 -22.182 -32.932 -25.792 1.00 0.00 H new ATOM 0 HB2 GLU B 17 -23.447 -34.506 -28.072 1.00 0.00 H new ATOM 0 HB3 GLU B 17 -21.739 -34.217 -27.802 1.00 0.00 H new ATOM 0 HG2 GLU B 17 -21.696 -35.676 -25.894 1.00 0.00 H new ATOM 0 HG3 GLU B 17 -23.445 -35.773 -25.840 1.00 0.00 H new ATOM 1422 N THR B 18 -24.339 -32.145 -28.167 1.00 0.00 N ATOM 1423 CA THR B 18 -24.716 -31.102 -29.106 1.00 0.00 C ATOM 1424 C THR B 18 -25.186 -29.848 -28.384 1.00 0.00 C ATOM 1425 O THR B 18 -24.945 -28.732 -28.840 1.00 0.00 O ATOM 1426 CB THR B 18 -25.820 -31.600 -30.044 1.00 0.00 C ATOM 1427 OG1 THR B 18 -26.760 -32.381 -29.298 1.00 0.00 O ATOM 1428 CG2 THR B 18 -25.235 -32.434 -31.167 1.00 0.00 C ATOM 0 H THR B 18 -24.906 -32.991 -28.230 1.00 0.00 H new ATOM 0 HA THR B 18 -23.831 -30.851 -29.690 1.00 0.00 H new ATOM 0 HB THR B 18 -26.323 -30.739 -30.483 1.00 0.00 H new ATOM 0 HG1 THR B 18 -26.500 -33.325 -29.332 1.00 0.00 H new ATOM 0 HG21 THR B 18 -26.037 -32.777 -31.821 1.00 0.00 H new ATOM 0 HG22 THR B 18 -24.532 -31.830 -31.741 1.00 0.00 H new ATOM 0 HG23 THR B 18 -24.715 -33.295 -30.748 1.00 0.00 H new ATOM 1436 N PHE B 19 -25.842 -30.037 -27.245 1.00 0.00 N ATOM 1437 CA PHE B 19 -26.327 -28.917 -26.452 1.00 0.00 C ATOM 1438 C PHE B 19 -25.161 -28.098 -25.908 1.00 0.00 C ATOM 1439 O PHE B 19 -25.262 -26.879 -25.765 1.00 0.00 O ATOM 1440 CB PHE B 19 -27.208 -29.412 -25.307 1.00 0.00 C ATOM 1441 CG PHE B 19 -28.497 -30.034 -25.771 1.00 0.00 C ATOM 1442 CD1 PHE B 19 -29.588 -29.242 -26.085 1.00 0.00 C ATOM 1443 CD2 PHE B 19 -28.618 -31.411 -25.892 1.00 0.00 C ATOM 1444 CE1 PHE B 19 -30.774 -29.809 -26.511 1.00 0.00 C ATOM 1445 CE2 PHE B 19 -29.801 -31.982 -26.315 1.00 0.00 C ATOM 1446 CZ PHE B 19 -30.881 -31.181 -26.625 1.00 0.00 C ATOM 0 H PHE B 19 -26.049 -30.955 -26.851 1.00 0.00 H new ATOM 0 HA PHE B 19 -26.927 -28.276 -27.099 1.00 0.00 H new ATOM 0 HB2 PHE B 19 -26.651 -30.142 -24.720 1.00 0.00 H new ATOM 0 HB3 PHE B 19 -27.434 -28.576 -24.645 1.00 0.00 H new ATOM 0 HD1 PHE B 19 -29.511 -28.168 -25.996 1.00 0.00 H new ATOM 0 HD2 PHE B 19 -27.776 -32.044 -25.652 1.00 0.00 H new ATOM 0 HE1 PHE B 19 -31.617 -29.179 -26.755 1.00 0.00 H new ATOM 0 HE2 PHE B 19 -29.881 -33.055 -26.403 1.00 0.00 H new ATOM 0 HZ PHE B 19 -31.808 -31.626 -26.956 1.00 0.00 H new ATOM 1456 N SER B 20 -24.052 -28.767 -25.621 1.00 0.00 N ATOM 1457 CA SER B 20 -22.858 -28.085 -25.154 1.00 0.00 C ATOM 1458 C SER B 20 -22.150 -27.406 -26.326 1.00 0.00 C ATOM 1459 O SER B 20 -21.560 -26.339 -26.179 1.00 0.00 O ATOM 1460 CB SER B 20 -21.915 -29.071 -24.455 1.00 0.00 C ATOM 1461 OG SER B 20 -20.880 -28.392 -23.759 1.00 0.00 O ATOM 0 H SER B 20 -23.957 -29.779 -25.704 1.00 0.00 H new ATOM 0 HA SER B 20 -23.150 -27.322 -24.432 1.00 0.00 H new ATOM 0 HB2 SER B 20 -22.482 -29.687 -23.757 1.00 0.00 H new ATOM 0 HB3 SER B 20 -21.479 -29.745 -25.192 1.00 0.00 H new ATOM 0 HG SER B 20 -20.296 -29.046 -23.322 1.00 0.00 H new ATOM 1467 N ASP B 21 -22.238 -28.016 -27.501 1.00 0.00 N ATOM 1468 CA ASP B 21 -21.620 -27.455 -28.700 1.00 0.00 C ATOM 1469 C ASP B 21 -22.429 -26.287 -29.255 1.00 0.00 C ATOM 1470 O ASP B 21 -22.004 -25.626 -30.201 1.00 0.00 O ATOM 1471 CB ASP B 21 -21.447 -28.520 -29.784 1.00 0.00 C ATOM 1472 CG ASP B 21 -20.230 -29.393 -29.562 1.00 0.00 C ATOM 1473 OD1 ASP B 21 -19.098 -28.892 -29.718 1.00 0.00 O ATOM 1474 OD2 ASP B 21 -20.392 -30.591 -29.252 1.00 0.00 O1- ATOM 0 H ASP B 21 -22.729 -28.897 -27.651 1.00 0.00 H new ATOM 0 HA ASP B 21 -20.637 -27.087 -28.405 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -22.338 -29.148 -29.815 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -21.366 -28.033 -30.756 1.00 0.00 H new ATOM 1479 N LEU B 22 -23.595 -26.034 -28.669 1.00 0.00 N ATOM 1480 CA LEU B 22 -24.446 -24.931 -29.105 1.00 0.00 C ATOM 1481 C LEU B 22 -23.805 -23.581 -28.794 1.00 0.00 C ATOM 1482 O LEU B 22 -23.938 -22.631 -29.565 1.00 0.00 O ATOM 1483 CB LEU B 22 -25.830 -25.013 -28.451 1.00 0.00 C ATOM 1484 CG LEU B 22 -26.696 -26.193 -28.896 1.00 0.00 C ATOM 1485 CD1 LEU B 22 -28.009 -26.207 -28.129 1.00 0.00 C ATOM 1486 CD2 LEU B 22 -26.955 -26.135 -30.395 1.00 0.00 C ATOM 0 H LEU B 22 -23.972 -26.577 -27.892 1.00 0.00 H new ATOM 0 HA LEU B 22 -24.562 -25.019 -30.185 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -25.700 -25.067 -27.370 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -26.368 -24.089 -28.662 1.00 0.00 H new ATOM 0 HG LEU B 22 -26.157 -27.115 -28.678 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -28.613 -27.053 -28.458 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -27.806 -26.299 -27.062 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -28.550 -25.280 -28.317 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -27.573 -26.983 -30.691 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -27.472 -25.207 -30.639 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -26.006 -26.173 -30.930 1.00 0.00 H new ATOM 1498 N TRP B 23 -23.105 -23.493 -27.667 1.00 0.00 N ATOM 1499 CA TRP B 23 -22.461 -22.242 -27.278 1.00 0.00 C ATOM 1500 C TRP B 23 -20.986 -22.259 -27.660 1.00 0.00 C ATOM 1501 O TRP B 23 -20.278 -21.270 -27.485 1.00 0.00 O ATOM 1502 CB TRP B 23 -22.634 -21.972 -25.773 1.00 0.00 C ATOM 1503 CG TRP B 23 -21.932 -22.948 -24.875 1.00 0.00 C ATOM 1504 CD1 TRP B 23 -22.423 -24.132 -24.408 1.00 0.00 C ATOM 1505 CD2 TRP B 23 -20.619 -22.809 -24.314 1.00 0.00 C ATOM 1506 NE1 TRP B 23 -21.490 -24.750 -23.612 1.00 0.00 N ATOM 1507 CE2 TRP B 23 -20.376 -23.956 -23.534 1.00 0.00 C ATOM 1508 CE3 TRP B 23 -19.622 -21.832 -24.404 1.00 0.00 C ATOM 1509 CZ2 TRP B 23 -19.180 -24.149 -22.846 1.00 0.00 C ATOM 1510 CZ3 TRP B 23 -18.438 -22.025 -23.717 1.00 0.00 C ATOM 1511 CH2 TRP B 23 -18.225 -23.175 -22.951 1.00 0.00 C ATOM 0 H TRP B 23 -22.970 -24.264 -27.013 1.00 0.00 H new ATOM 0 HA TRP B 23 -22.947 -21.430 -27.818 1.00 0.00 H new ATOM 0 HB2 TRP B 23 -22.268 -20.969 -25.553 1.00 0.00 H new ATOM 0 HB3 TRP B 23 -23.698 -21.982 -25.536 1.00 0.00 H new ATOM 0 HD1 TRP B 23 -23.403 -24.526 -24.632 1.00 0.00 H new ATOM 0 HE1 TRP B 23 -21.607 -25.653 -23.153 1.00 0.00 H new ATOM 0 HE3 TRP B 23 -19.774 -20.944 -24.999 1.00 0.00 H new ATOM 0 HZ2 TRP B 23 -19.013 -25.035 -22.252 1.00 0.00 H new ATOM 0 HZ3 TRP B 23 -17.664 -21.274 -23.773 1.00 0.00 H new ATOM 0 HH2 TRP B 23 -17.286 -23.297 -22.431 1.00 0.00 H new ATOM 1522 N LYS B 24 -20.539 -23.377 -28.218 1.00 0.00 N ATOM 1523 CA LYS B 24 -19.142 -23.537 -28.613 1.00 0.00 C ATOM 1524 C LYS B 24 -18.924 -23.074 -30.048 1.00 0.00 C ATOM 1525 O LYS B 24 -17.981 -23.498 -30.713 1.00 0.00 O ATOM 1526 CB LYS B 24 -18.705 -24.992 -28.460 1.00 0.00 C ATOM 1527 CG LYS B 24 -18.653 -25.467 -27.017 1.00 0.00 C ATOM 1528 CD LYS B 24 -18.165 -26.905 -26.911 1.00 0.00 C ATOM 1529 CE LYS B 24 -16.744 -27.054 -27.436 1.00 0.00 C ATOM 1530 NZ LYS B 24 -16.211 -28.425 -27.226 1.00 0.00 N1+ ATOM 0 H LYS B 24 -21.125 -24.190 -28.408 1.00 0.00 H new ATOM 0 HA LYS B 24 -18.535 -22.916 -27.955 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -19.392 -25.629 -29.018 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -17.720 -25.115 -28.909 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -17.993 -24.816 -26.444 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -19.645 -25.386 -26.572 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -18.205 -27.228 -25.871 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -18.832 -27.559 -27.473 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -16.724 -26.817 -28.500 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -16.096 -26.333 -26.937 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -15.242 -28.481 -27.598 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -16.205 -28.643 -26.209 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -16.813 -29.112 -27.724 1.00 0.00 H new ATOM 1544 N LEU B 25 -19.789 -22.179 -30.508 1.00 0.00 N ATOM 1545 CA LEU B 25 -19.682 -21.629 -31.849 1.00 0.00 C ATOM 1546 C LEU B 25 -18.688 -20.471 -31.867 1.00 0.00 C ATOM 1547 O LEU B 25 -18.469 -19.834 -32.898 1.00 0.00 O ATOM 1548 CB LEU B 25 -21.057 -21.170 -32.347 1.00 0.00 C ATOM 1549 CG LEU B 25 -22.133 -22.256 -32.363 1.00 0.00 C ATOM 1550 CD1 LEU B 25 -23.414 -21.724 -32.983 1.00 0.00 C ATOM 1551 CD2 LEU B 25 -21.642 -23.487 -33.111 1.00 0.00 C ATOM 0 H LEU B 25 -20.575 -21.819 -29.967 1.00 0.00 H new ATOM 0 HA LEU B 25 -19.317 -22.407 -32.519 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -21.400 -20.349 -31.717 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -20.947 -20.773 -33.356 1.00 0.00 H new ATOM 0 HG LEU B 25 -22.345 -22.547 -31.334 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -24.170 -22.509 -32.987 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -23.775 -20.876 -32.401 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -23.218 -21.405 -34.006 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -22.422 -24.248 -33.111 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -21.400 -23.216 -34.139 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -20.752 -23.880 -32.620 1.00 0.00 H new ATOM 1563 N LEU B 26 -18.101 -20.200 -30.710 1.00 0.00 N ATOM 1564 CA LEU B 26 -17.050 -19.205 -30.591 1.00 0.00 C ATOM 1565 C LEU B 26 -15.686 -19.865 -30.755 1.00 0.00 C ATOM 1566 O LEU B 26 -15.557 -21.073 -30.558 1.00 0.00 O ATOM 1567 CB LEU B 26 -17.145 -18.480 -29.238 1.00 0.00 C ATOM 1568 CG LEU B 26 -17.562 -19.341 -28.033 1.00 0.00 C ATOM 1569 CD1 LEU B 26 -16.444 -20.275 -27.592 1.00 0.00 C ATOM 1570 CD2 LEU B 26 -17.995 -18.454 -26.876 1.00 0.00 C ATOM 0 H LEU B 26 -18.340 -20.662 -29.833 1.00 0.00 H new ATOM 0 HA LEU B 26 -17.175 -18.465 -31.381 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -16.175 -18.033 -29.020 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -17.858 -17.662 -29.337 1.00 0.00 H new ATOM 0 HG LEU B 26 -18.404 -19.959 -28.345 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -16.778 -20.865 -26.739 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -16.181 -20.941 -28.414 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -15.571 -19.688 -27.307 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -18.287 -19.076 -26.030 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -17.167 -17.809 -26.583 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -18.841 -17.841 -27.185 1.00 0.00 H new ATOM 1582 N PRO B 27 -14.654 -19.104 -31.143 1.00 0.00 N ATOM 1583 CA PRO B 27 -13.308 -19.649 -31.247 1.00 0.00 C ATOM 1584 C PRO B 27 -12.692 -19.888 -29.871 1.00 0.00 C ATOM 1585 O PRO B 27 -12.108 -18.986 -29.263 1.00 0.00 O ATOM 1586 CB PRO B 27 -12.536 -18.575 -32.016 1.00 0.00 C ATOM 1587 CG PRO B 27 -13.274 -17.305 -31.758 1.00 0.00 C ATOM 1588 CD PRO B 27 -14.716 -17.682 -31.526 1.00 0.00 C ATOM 0 HA PRO B 27 -13.291 -20.619 -31.743 1.00 0.00 H new ATOM 0 HB2 PRO B 27 -11.504 -18.508 -31.671 1.00 0.00 H new ATOM 0 HB3 PRO B 27 -12.502 -18.801 -33.082 1.00 0.00 H new ATOM 0 HG2 PRO B 27 -12.864 -16.789 -30.890 1.00 0.00 H new ATOM 0 HG3 PRO B 27 -13.183 -16.625 -32.605 1.00 0.00 H new ATOM 0 HD2 PRO B 27 -15.166 -17.076 -30.740 1.00 0.00 H new ATOM 0 HD3 PRO B 27 -15.316 -17.536 -32.424 1.00 0.00 H new ATOM 1596 N GLU B 28 -12.833 -21.108 -29.380 1.00 0.00 N ATOM 1597 CA GLU B 28 -12.286 -21.476 -28.085 1.00 0.00 C ATOM 1598 C GLU B 28 -10.820 -21.868 -28.238 1.00 0.00 C ATOM 1599 O GLU B 28 -10.462 -23.045 -28.182 1.00 0.00 O ATOM 1600 CB GLU B 28 -13.100 -22.620 -27.463 1.00 0.00 C ATOM 1601 CG GLU B 28 -13.129 -22.619 -25.937 1.00 0.00 C ATOM 1602 CD GLU B 28 -11.789 -22.947 -25.303 1.00 0.00 C ATOM 1603 OE1 GLU B 28 -10.997 -22.013 -25.049 1.00 0.00 O1- ATOM 1604 OE2 GLU B 28 -11.530 -24.142 -25.044 1.00 0.00 O ATOM 0 H GLU B 28 -13.323 -21.862 -29.861 1.00 0.00 H new ATOM 0 HA GLU B 28 -12.349 -20.619 -27.414 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -14.124 -22.564 -27.833 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -12.689 -23.570 -27.805 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -13.456 -21.639 -25.589 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -13.870 -23.342 -25.596 1.00 0.00 H new ATOM 1811 N LEU B 43 -3.648 -3.126 -4.044 1.00 0.00 N ATOM 1812 CA LEU B 43 -4.374 -3.005 -2.785 1.00 0.00 C ATOM 1813 C LEU B 43 -3.632 -2.090 -1.807 1.00 0.00 C ATOM 1814 O LEU B 43 -4.140 -1.038 -1.420 1.00 0.00 O ATOM 1815 CB LEU B 43 -4.579 -4.398 -2.170 1.00 0.00 C ATOM 1816 CG LEU B 43 -5.725 -4.528 -1.155 1.00 0.00 C ATOM 1817 CD1 LEU B 43 -6.006 -5.991 -0.864 1.00 0.00 C ATOM 1818 CD2 LEU B 43 -5.401 -3.797 0.143 1.00 0.00 C ATOM 0 HA LEU B 43 -5.347 -2.556 -2.986 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -4.755 -5.107 -2.979 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -3.652 -4.697 -1.681 1.00 0.00 H new ATOM 0 HG LEU B 43 -6.611 -4.070 -1.593 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -6.820 -6.069 -0.143 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -6.289 -6.498 -1.787 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -5.111 -6.458 -0.453 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -6.232 -3.908 0.840 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -4.498 -4.220 0.584 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -5.241 -2.739 -0.065 1.00 0.00 H new ATOM 1830 N MET B 44 -2.432 -2.485 -1.414 1.00 0.00 N ATOM 1831 CA MET B 44 -1.681 -1.715 -0.436 1.00 0.00 C ATOM 1832 C MET B 44 -0.603 -0.857 -1.096 1.00 0.00 C ATOM 1833 O MET B 44 -0.474 0.327 -0.788 1.00 0.00 O ATOM 1834 CB MET B 44 -1.074 -2.634 0.634 1.00 0.00 C ATOM 1835 CG MET B 44 -0.140 -3.710 0.100 1.00 0.00 C ATOM 1836 SD MET B 44 -1.008 -5.047 -0.758 1.00 0.00 S ATOM 1837 CE MET B 44 -2.068 -5.678 0.549 1.00 0.00 C ATOM 0 H MET B 44 -1.961 -3.324 -1.752 1.00 0.00 H new ATOM 0 HA MET B 44 -2.381 -1.037 0.052 1.00 0.00 H new ATOM 0 HB2 MET B 44 -0.527 -2.021 1.350 1.00 0.00 H new ATOM 0 HB3 MET B 44 -1.885 -3.116 1.181 1.00 0.00 H new ATOM 0 HG2 MET B 44 0.576 -3.254 -0.583 1.00 0.00 H new ATOM 0 HG3 MET B 44 0.432 -4.129 0.928 1.00 0.00 H new ATOM 0 HE1 MET B 44 -1.669 -6.623 0.917 1.00 0.00 H new ATOM 0 HE2 MET B 44 -2.106 -4.958 1.366 1.00 0.00 H new ATOM 0 HE3 MET B 44 -3.073 -5.836 0.158 1.00 0.00 H new ATOM 1847 N LEU B 45 0.157 -1.441 -2.007 1.00 0.00 N ATOM 1848 CA LEU B 45 1.219 -0.703 -2.683 1.00 0.00 C ATOM 1849 C LEU B 45 0.772 -0.343 -4.100 1.00 0.00 C ATOM 1850 O LEU B 45 0.590 -1.222 -4.941 1.00 0.00 O ATOM 1851 CB LEU B 45 2.535 -1.516 -2.713 1.00 0.00 C ATOM 1852 CG LEU B 45 3.146 -1.870 -1.340 1.00 0.00 C ATOM 1853 CD1 LEU B 45 4.534 -2.484 -1.480 1.00 0.00 C ATOM 1854 CD2 LEU B 45 3.211 -0.643 -0.450 1.00 0.00 C ATOM 0 H LEU B 45 0.063 -2.415 -2.296 1.00 0.00 H new ATOM 0 HA LEU B 45 1.414 0.214 -2.127 1.00 0.00 H new ATOM 0 HB2 LEU B 45 2.353 -2.443 -3.257 1.00 0.00 H new ATOM 0 HB3 LEU B 45 3.274 -0.952 -3.282 1.00 0.00 H new ATOM 0 HG LEU B 45 2.494 -2.612 -0.879 1.00 0.00 H new ATOM 0 HD11 LEU B 45 4.929 -2.719 -0.492 1.00 0.00 H new ATOM 0 HD12 LEU B 45 4.470 -3.397 -2.072 1.00 0.00 H new ATOM 0 HD13 LEU B 45 5.197 -1.776 -1.977 1.00 0.00 H new ATOM 0 HD21 LEU B 45 3.645 -0.914 0.513 1.00 0.00 H new ATOM 0 HD22 LEU B 45 3.830 0.119 -0.925 1.00 0.00 H new ATOM 0 HD23 LEU B 45 2.206 -0.251 -0.297 1.00 0.00 H new ATOM 1866 N SER B 46 0.575 0.951 -4.353 1.00 0.00 N ATOM 1867 CA SER B 46 0.078 1.416 -5.645 1.00 0.00 C ATOM 1868 C SER B 46 1.203 1.430 -6.683 1.00 0.00 C ATOM 1869 O SER B 46 2.293 1.934 -6.415 1.00 0.00 O ATOM 1870 CB SER B 46 -0.539 2.815 -5.506 1.00 0.00 C ATOM 1871 OG SER B 46 -1.129 3.246 -6.726 1.00 0.00 O ATOM 0 H SER B 46 0.753 1.695 -3.679 1.00 0.00 H new ATOM 0 HA SER B 46 -0.694 0.726 -5.986 1.00 0.00 H new ATOM 0 HB2 SER B 46 -1.293 2.805 -4.719 1.00 0.00 H new ATOM 0 HB3 SER B 46 0.230 3.525 -5.201 1.00 0.00 H new ATOM 0 HG SER B 46 -0.621 4.003 -7.086 1.00 0.00 H new ATOM 1877 N PRO B 47 0.937 0.897 -7.892 1.00 0.00 N ATOM 1878 CA PRO B 47 1.950 0.705 -8.950 1.00 0.00 C ATOM 1879 C PRO B 47 2.651 1.986 -9.419 1.00 0.00 C ATOM 1880 O PRO B 47 3.544 1.925 -10.265 1.00 0.00 O ATOM 1881 CB PRO B 47 1.158 0.103 -10.113 1.00 0.00 C ATOM 1882 CG PRO B 47 -0.277 0.366 -9.806 1.00 0.00 C ATOM 1883 CD PRO B 47 -0.386 0.413 -8.314 1.00 0.00 C ATOM 0 HA PRO B 47 2.761 0.084 -8.570 1.00 0.00 H new ATOM 0 HB2 PRO B 47 1.445 0.560 -11.060 1.00 0.00 H new ATOM 0 HB3 PRO B 47 1.349 -0.966 -10.204 1.00 0.00 H new ATOM 0 HG2 PRO B 47 -0.603 1.307 -10.249 1.00 0.00 H new ATOM 0 HG3 PRO B 47 -0.913 -0.418 -10.218 1.00 0.00 H new ATOM 0 HD2 PRO B 47 -1.182 1.084 -7.990 1.00 0.00 H new ATOM 0 HD3 PRO B 47 -0.607 -0.569 -7.896 1.00 0.00 H new ATOM 1891 N ASP B 48 2.256 3.132 -8.875 1.00 0.00 N ATOM 1892 CA ASP B 48 2.842 4.412 -9.266 1.00 0.00 C ATOM 1893 C ASP B 48 4.333 4.456 -8.947 1.00 0.00 C ATOM 1894 O ASP B 48 5.173 4.430 -9.845 1.00 0.00 O ATOM 1895 CB ASP B 48 2.143 5.585 -8.557 1.00 0.00 C ATOM 1896 CG ASP B 48 0.700 5.766 -8.975 1.00 0.00 C ATOM 1897 OD1 ASP B 48 0.455 6.384 -10.034 1.00 0.00 O ATOM 1898 OD2 ASP B 48 -0.199 5.307 -8.238 1.00 0.00 O1- ATOM 0 H ASP B 48 1.531 3.202 -8.161 1.00 0.00 H new ATOM 0 HA ASP B 48 2.702 4.509 -10.343 1.00 0.00 H new ATOM 0 HB2 ASP B 48 2.184 5.425 -7.480 1.00 0.00 H new ATOM 0 HB3 ASP B 48 2.692 6.504 -8.764 1.00 0.00 H new ATOM 1903 N ASP B 49 4.656 4.499 -7.663 1.00 0.00 N ATOM 1904 CA ASP B 49 6.037 4.712 -7.221 1.00 0.00 C ATOM 1905 C ASP B 49 6.717 3.408 -6.813 1.00 0.00 C ATOM 1906 O ASP B 49 7.934 3.359 -6.662 1.00 0.00 O ATOM 1907 CB ASP B 49 6.085 5.691 -6.040 1.00 0.00 C ATOM 1908 CG ASP B 49 5.771 7.126 -6.430 1.00 0.00 C ATOM 1909 OD1 ASP B 49 4.574 7.490 -6.469 1.00 0.00 O1- ATOM 1910 OD2 ASP B 49 6.719 7.902 -6.686 1.00 0.00 O ATOM 0 H ASP B 49 3.984 4.390 -6.904 1.00 0.00 H new ATOM 0 HA ASP B 49 6.575 5.131 -8.071 1.00 0.00 H new ATOM 0 HB2 ASP B 49 5.375 5.366 -5.279 1.00 0.00 H new ATOM 0 HB3 ASP B 49 7.076 5.654 -5.588 1.00 0.00 H new ATOM 1915 N ILE B 50 5.934 2.355 -6.632 1.00 0.00 N ATOM 1916 CA ILE B 50 6.449 1.111 -6.055 1.00 0.00 C ATOM 1917 C ILE B 50 7.379 0.358 -6.983 1.00 0.00 C ATOM 1918 O ILE B 50 8.111 -0.513 -6.533 1.00 0.00 O ATOM 1919 CB ILE B 50 5.321 0.146 -5.671 1.00 0.00 C ATOM 1920 CG1 ILE B 50 4.551 -0.298 -6.916 1.00 0.00 C ATOM 1921 CG2 ILE B 50 4.404 0.808 -4.675 1.00 0.00 C ATOM 1922 CD1 ILE B 50 3.508 -1.355 -6.642 1.00 0.00 C ATOM 0 H ILE B 50 4.943 2.331 -6.873 1.00 0.00 H new ATOM 0 HA ILE B 50 7.001 1.435 -5.173 1.00 0.00 H new ATOM 0 HB ILE B 50 5.751 -0.743 -5.210 1.00 0.00 H new ATOM 0 HG12 ILE B 50 4.066 0.571 -7.361 1.00 0.00 H new ATOM 0 HG13 ILE B 50 5.258 -0.681 -7.652 1.00 0.00 H new ATOM 0 HG21 ILE B 50 3.603 0.120 -4.404 1.00 0.00 H new ATOM 0 HG22 ILE B 50 4.969 1.076 -3.783 1.00 0.00 H new ATOM 0 HG23 ILE B 50 3.975 1.707 -5.117 1.00 0.00 H new ATOM 0 HD11 ILE B 50 3.004 -1.619 -7.572 1.00 0.00 H new ATOM 0 HD12 ILE B 50 3.988 -2.241 -6.226 1.00 0.00 H new ATOM 0 HD13 ILE B 50 2.778 -0.970 -5.930 1.00 0.00 H new ATOM 1934 N GLU B 51 7.374 0.693 -8.261 1.00 0.00 N ATOM 1935 CA GLU B 51 8.037 -0.138 -9.257 1.00 0.00 C ATOM 1936 C GLU B 51 9.551 -0.248 -9.002 1.00 0.00 C ATOM 1937 O GLU B 51 10.237 -1.088 -9.588 1.00 0.00 O ATOM 1938 CB GLU B 51 7.769 0.409 -10.661 1.00 0.00 C ATOM 1939 CG GLU B 51 8.098 -0.580 -11.767 1.00 0.00 C ATOM 1940 CD GLU B 51 8.002 0.030 -13.149 1.00 0.00 C ATOM 1941 OE1 GLU B 51 8.997 0.639 -13.598 1.00 0.00 O1- ATOM 1942 OE2 GLU B 51 6.943 -0.107 -13.797 1.00 0.00 O ATOM 0 H GLU B 51 6.922 1.528 -8.634 1.00 0.00 H new ATOM 0 HA GLU B 51 7.622 -1.143 -9.177 1.00 0.00 H new ATOM 0 HB2 GLU B 51 6.719 0.693 -10.738 1.00 0.00 H new ATOM 0 HB3 GLU B 51 8.356 1.316 -10.808 1.00 0.00 H new ATOM 0 HG2 GLU B 51 9.106 -0.966 -11.615 1.00 0.00 H new ATOM 0 HG3 GLU B 51 7.418 -1.430 -11.702 1.00 0.00 H new ATOM 1949 N GLN B 52 10.064 0.590 -8.112 1.00 0.00 N ATOM 1950 CA GLN B 52 11.480 0.582 -7.777 1.00 0.00 C ATOM 1951 C GLN B 52 11.773 -0.245 -6.513 1.00 0.00 C ATOM 1952 O GLN B 52 12.913 -0.636 -6.276 1.00 0.00 O ATOM 1953 CB GLN B 52 11.988 2.016 -7.602 1.00 0.00 C ATOM 1954 CG GLN B 52 10.949 2.961 -7.020 1.00 0.00 C ATOM 1955 CD GLN B 52 11.548 4.225 -6.427 1.00 0.00 C ATOM 1956 OE1 GLN B 52 11.002 4.788 -5.479 1.00 0.00 O ATOM 1957 NE2 GLN B 52 12.668 4.680 -6.972 1.00 0.00 N ATOM 0 H GLN B 52 9.517 1.287 -7.607 1.00 0.00 H new ATOM 0 HA GLN B 52 12.009 0.108 -8.604 1.00 0.00 H new ATOM 0 HB2 GLN B 52 12.863 2.006 -6.952 1.00 0.00 H new ATOM 0 HB3 GLN B 52 12.314 2.398 -8.569 1.00 0.00 H new ATOM 0 HG2 GLN B 52 10.240 3.236 -7.801 1.00 0.00 H new ATOM 0 HG3 GLN B 52 10.385 2.438 -6.248 1.00 0.00 H new ATOM 0 HE21 GLN B 52 13.091 4.185 -7.757 1.00 0.00 H new ATOM 0 HE22 GLN B 52 13.107 5.525 -6.606 1.00 0.00 H new ATOM 1966 N TRP B 53 10.756 -0.507 -5.693 1.00 0.00 N ATOM 1967 CA TRP B 53 10.961 -1.278 -4.461 1.00 0.00 C ATOM 1968 C TRP B 53 9.937 -2.402 -4.299 1.00 0.00 C ATOM 1969 O TRP B 53 9.882 -3.054 -3.262 1.00 0.00 O ATOM 1970 CB TRP B 53 10.958 -0.366 -3.228 1.00 0.00 C ATOM 1971 CG TRP B 53 9.973 0.754 -3.308 1.00 0.00 C ATOM 1972 CD1 TRP B 53 10.163 1.945 -3.932 1.00 0.00 C ATOM 1973 CD2 TRP B 53 8.664 0.801 -2.735 1.00 0.00 C ATOM 1974 NE1 TRP B 53 9.045 2.721 -3.820 1.00 0.00 N ATOM 1975 CE2 TRP B 53 8.108 2.047 -3.079 1.00 0.00 C ATOM 1976 CE3 TRP B 53 7.902 -0.091 -1.975 1.00 0.00 C ATOM 1977 CZ2 TRP B 53 6.826 2.425 -2.684 1.00 0.00 C ATOM 1978 CZ3 TRP B 53 6.635 0.289 -1.579 1.00 0.00 C ATOM 1979 CH2 TRP B 53 6.107 1.535 -1.935 1.00 0.00 C ATOM 0 H TRP B 53 9.795 -0.204 -5.853 1.00 0.00 H new ATOM 0 HA TRP B 53 11.943 -1.744 -4.546 1.00 0.00 H new ATOM 0 HB2 TRP B 53 10.740 -0.966 -2.344 1.00 0.00 H new ATOM 0 HB3 TRP B 53 11.956 0.050 -3.093 1.00 0.00 H new ATOM 0 HD1 TRP B 53 11.068 2.237 -4.443 1.00 0.00 H new ATOM 0 HE1 TRP B 53 8.926 3.651 -4.222 1.00 0.00 H new ATOM 0 HE3 TRP B 53 8.297 -1.059 -1.703 1.00 0.00 H new ATOM 0 HZ2 TRP B 53 6.416 3.385 -2.959 1.00 0.00 H new ATOM 0 HZ3 TRP B 53 6.040 -0.388 -0.983 1.00 0.00 H new ATOM 0 HH2 TRP B 53 5.111 1.799 -1.612 1.00 0.00 H new ATOM 1990 N PHE B 54 9.143 -2.630 -5.329 1.00 0.00 N ATOM 1991 CA PHE B 54 8.151 -3.695 -5.313 1.00 0.00 C ATOM 1992 C PHE B 54 8.415 -4.644 -6.482 1.00 0.00 C ATOM 1993 O PHE B 54 7.767 -4.557 -7.525 1.00 0.00 O ATOM 1994 CB PHE B 54 6.731 -3.087 -5.379 1.00 0.00 C ATOM 1995 CG PHE B 54 5.572 -4.060 -5.231 1.00 0.00 C ATOM 1996 CD1 PHE B 54 5.560 -5.281 -5.888 1.00 0.00 C ATOM 1997 CD2 PHE B 54 4.472 -3.723 -4.452 1.00 0.00 C ATOM 1998 CE1 PHE B 54 4.486 -6.144 -5.769 1.00 0.00 C ATOM 1999 CE2 PHE B 54 3.394 -4.580 -4.337 1.00 0.00 C ATOM 2000 CZ PHE B 54 3.400 -5.791 -4.997 1.00 0.00 C ATOM 0 H PHE B 54 9.165 -2.089 -6.194 1.00 0.00 H new ATOM 0 HA PHE B 54 8.224 -4.265 -4.387 1.00 0.00 H new ATOM 0 HB2 PHE B 54 6.646 -2.332 -4.597 1.00 0.00 H new ATOM 0 HB3 PHE B 54 6.624 -2.571 -6.333 1.00 0.00 H new ATOM 0 HD1 PHE B 54 6.403 -5.562 -6.502 1.00 0.00 H new ATOM 0 HD2 PHE B 54 4.459 -2.778 -3.929 1.00 0.00 H new ATOM 0 HE1 PHE B 54 4.498 -7.095 -6.281 1.00 0.00 H new ATOM 0 HE2 PHE B 54 2.546 -4.301 -3.730 1.00 0.00 H new ATOM 0 HZ PHE B 54 2.557 -6.460 -4.909 1.00 0.00 H new