USER MOD reduce.3.24.130724 H: found=0, std=0, add=625, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 625 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 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl -116:sc= -0.744 (180deg=-0.802) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 170:sc= 0 USER MOD Single : A 19 TYR OH : rot 58:sc= 0.645 USER MOD Single : A 24 GLN : amide:sc= -0.0037 K(o=-0.0037,f=-0.59) USER MOD Single : A 25 THR OG1 : rot 85:sc= 0.767 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 166:sc= -0.0505 (180deg=-0.246) USER MOD Single : A 34 HIS : no HD1:sc= -0.0231 X(o=-0.023,f=0) USER MOD Single : A 38 SER OG : rot -54:sc= 0.0411 USER MOD Single : A 40 ASN : amide:sc= 0.982 K(o=0.98,f=-2.6) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 100:sc= 2.18 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 168:sc= -0.0441 (180deg=-0.234) USER MOD Single : A 49 SER OG : rot -64:sc= 0.228 USER MOD Single : A 53 LYS NZ :NH3+ 152:sc= 1.29 (180deg=1.19) USER MOD Single : A 54 THR OG1 : rot -86:sc= 0.513 USER MOD Single : A 55 MET CE :methyl 178:sc= -0.966 (180deg=-0.976) USER MOD Single : A 56 SER OG : rot 180:sc= -0.195 USER MOD Single : A 58 LYS NZ :NH3+ 165:sc= -0.0358 (180deg=-0.266) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 163:sc= -0.041 (180deg=-0.288) USER MOD Single : A 66 MET CE :methyl -171:sc= -0.756 (180deg=-0.961) USER MOD Single : A 68 LYS NZ :NH3+ -173:sc= 1.24 (180deg=1.13) USER MOD Single : A 71 LYS NZ :NH3+ -119:sc= 0.706 (180deg=-0.508) USER MOD Single : A 74 TYR OH : rot -76:sc= 1.02 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -134:sc=-0.00806 (180deg=-0.175) USER MOD Single : A 80 THR OG1 : rot -34:sc= 0.205 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 104 N PRO A 9 0.242 19.986 5.825 1.00 0.51 N ATOM 105 CA PRO A 9 -0.344 19.921 4.490 1.00 23.40 C ATOM 106 C PRO A 9 -0.539 18.480 4.066 1.00 45.44 C ATOM 107 O PRO A 9 0.341 17.640 4.282 1.00 23.25 O ATOM 108 CB PRO A 9 0.708 20.588 3.599 1.00 43.22 C ATOM 109 CG PRO A 9 1.527 21.409 4.527 1.00 10.12 C ATOM 110 CD PRO A 9 1.553 20.653 5.818 1.00 13.23 C ATOM 0 HA PRO A 9 -1.321 20.401 4.436 1.00 23.40 H new ATOM 0 HB2 PRO A 9 1.318 19.846 3.084 1.00 43.22 H new ATOM 0 HB3 PRO A 9 0.242 21.205 2.831 1.00 43.22 H new ATOM 0 HG2 PRO A 9 2.535 21.553 4.137 1.00 10.12 H new ATOM 0 HG3 PRO A 9 1.092 22.399 4.662 1.00 10.12 H new ATOM 0 HD2 PRO A 9 2.373 19.936 5.851 1.00 13.23 H new ATOM 0 HD3 PRO A 9 1.675 21.317 6.674 1.00 13.23 H new ATOM 118 N LYS A 10 -1.674 18.184 3.476 1.00 62.24 N ATOM 119 CA LYS A 10 -1.957 16.828 3.064 1.00 60.10 C ATOM 120 C LYS A 10 -1.314 16.525 1.727 1.00 41.30 C ATOM 121 O LYS A 10 -1.957 16.569 0.677 1.00 42.23 O ATOM 122 CB LYS A 10 -3.462 16.563 3.039 1.00 71.32 C ATOM 123 CG LYS A 10 -4.139 16.840 4.375 1.00 71.53 C ATOM 124 CD LYS A 10 -3.435 16.111 5.513 1.00 32.30 C ATOM 125 CE LYS A 10 -4.045 16.458 6.854 1.00 72.21 C ATOM 126 NZ LYS A 10 -3.383 15.734 7.967 1.00 71.44 N ATOM 0 H LYS A 10 -2.412 18.858 3.272 1.00 62.24 H new ATOM 0 HA LYS A 10 -1.521 16.152 3.799 1.00 60.10 H new ATOM 0 HB2 LYS A 10 -3.922 17.184 2.270 1.00 71.32 H new ATOM 0 HB3 LYS A 10 -3.638 15.525 2.758 1.00 71.32 H new ATOM 0 HG2 LYS A 10 -4.137 17.912 4.571 1.00 71.53 H new ATOM 0 HG3 LYS A 10 -5.182 16.526 4.329 1.00 71.53 H new ATOM 0 HD2 LYS A 10 -3.497 15.035 5.351 1.00 32.30 H new ATOM 0 HD3 LYS A 10 -2.377 16.372 5.515 1.00 32.30 H new ATOM 0 HE2 LYS A 10 -3.966 17.532 7.022 1.00 72.21 H new ATOM 0 HE3 LYS A 10 -5.107 16.214 6.844 1.00 72.21 H new ATOM 0 HZ1 LYS A 10 -3.830 15.999 8.868 1.00 71.44 H new ATOM 0 HZ2 LYS A 10 -3.480 14.709 7.821 1.00 71.44 H new ATOM 0 HZ3 LYS A 10 -2.374 15.986 7.994 1.00 71.44 H new ATOM 140 N LYS A 11 -0.027 16.250 1.780 1.00 74.51 N ATOM 141 CA LYS A 11 0.748 15.948 0.604 1.00 11.33 C ATOM 142 C LYS A 11 0.954 14.446 0.498 1.00 15.43 C ATOM 143 O LYS A 11 1.408 13.811 1.460 1.00 64.33 O ATOM 144 CB LYS A 11 2.110 16.646 0.689 1.00 10.32 C ATOM 145 CG LYS A 11 2.949 16.534 -0.578 1.00 15.22 C ATOM 146 CD LYS A 11 4.410 16.883 -0.320 1.00 12.40 C ATOM 147 CE LYS A 11 4.571 18.274 0.278 1.00 63.21 C ATOM 148 NZ LYS A 11 5.994 18.594 0.566 1.00 72.13 N ATOM 0 H LYS A 11 0.510 16.231 2.647 1.00 74.51 H new ATOM 0 HA LYS A 11 0.214 16.303 -0.277 1.00 11.33 H new ATOM 0 HB2 LYS A 11 1.952 17.701 0.915 1.00 10.32 H new ATOM 0 HB3 LYS A 11 2.671 16.223 1.522 1.00 10.32 H new ATOM 0 HG2 LYS A 11 2.881 15.519 -0.971 1.00 15.22 H new ATOM 0 HG3 LYS A 11 2.545 17.199 -1.342 1.00 15.22 H new ATOM 0 HD2 LYS A 11 4.844 16.146 0.356 1.00 12.40 H new ATOM 0 HD3 LYS A 11 4.967 16.825 -1.255 1.00 12.40 H new ATOM 0 HE2 LYS A 11 4.165 19.014 -0.411 1.00 63.21 H new ATOM 0 HE3 LYS A 11 3.990 18.343 1.198 1.00 63.21 H new ATOM 0 HZ1 LYS A 11 6.060 19.549 0.972 1.00 72.13 H new ATOM 0 HZ2 LYS A 11 6.375 17.903 1.244 1.00 72.13 H new ATOM 0 HZ3 LYS A 11 6.544 18.554 -0.316 1.00 72.13 H new ATOM 162 N PRO A 12 0.602 13.849 -0.652 1.00 12.53 N ATOM 163 CA PRO A 12 0.798 12.416 -0.887 1.00 71.34 C ATOM 164 C PRO A 12 2.248 12.008 -0.633 1.00 61.14 C ATOM 165 O PRO A 12 3.181 12.718 -1.030 1.00 73.51 O ATOM 166 CB PRO A 12 0.448 12.249 -2.369 1.00 44.43 C ATOM 167 CG PRO A 12 -0.475 13.374 -2.667 1.00 14.41 C ATOM 168 CD PRO A 12 -0.025 14.518 -1.807 1.00 33.02 C ATOM 0 HA PRO A 12 0.193 11.795 -0.226 1.00 71.34 H new ATOM 0 HB2 PRO A 12 1.340 12.292 -2.994 1.00 44.43 H new ATOM 0 HB3 PRO A 12 -0.027 11.286 -2.558 1.00 44.43 H new ATOM 0 HG2 PRO A 12 -0.436 13.641 -3.723 1.00 14.41 H new ATOM 0 HG3 PRO A 12 -1.507 13.101 -2.445 1.00 14.41 H new ATOM 0 HD2 PRO A 12 0.682 15.162 -2.331 1.00 33.02 H new ATOM 0 HD3 PRO A 12 -0.862 15.146 -1.502 1.00 33.02 H new ATOM 176 N ARG A 13 2.439 10.885 0.036 1.00 65.23 N ATOM 177 CA ARG A 13 3.777 10.424 0.363 1.00 2.34 C ATOM 178 C ARG A 13 4.436 9.719 -0.817 1.00 52.43 C ATOM 179 O ARG A 13 5.600 9.964 -1.116 1.00 41.33 O ATOM 180 CB ARG A 13 3.779 9.539 1.628 1.00 71.10 C ATOM 181 CG ARG A 13 2.717 8.446 1.653 1.00 52.43 C ATOM 182 CD ARG A 13 2.742 7.679 2.970 1.00 41.20 C ATOM 183 NE ARG A 13 1.631 6.728 3.080 1.00 71.41 N ATOM 184 CZ ARG A 13 1.227 6.164 4.229 1.00 1.41 C ATOM 185 NH1 ARG A 13 1.857 6.439 5.368 1.00 14.33 N ATOM 186 NH2 ARG A 13 0.197 5.323 4.233 1.00 40.51 N ATOM 0 H ARG A 13 1.688 10.277 0.363 1.00 65.23 H new ATOM 0 HA ARG A 13 4.376 11.307 0.584 1.00 2.34 H new ATOM 0 HB2 ARG A 13 4.760 9.074 1.726 1.00 71.10 H new ATOM 0 HB3 ARG A 13 3.641 10.178 2.500 1.00 71.10 H new ATOM 0 HG2 ARG A 13 1.732 8.890 1.507 1.00 52.43 H new ATOM 0 HG3 ARG A 13 2.882 7.757 0.825 1.00 52.43 H new ATOM 0 HD2 ARG A 13 3.687 7.143 3.058 1.00 41.20 H new ATOM 0 HD3 ARG A 13 2.697 8.384 3.800 1.00 41.20 H new ATOM 0 HE ARG A 13 1.132 6.478 2.226 1.00 71.41 H new ATOM 0 HH11 ARG A 13 2.650 7.080 5.370 1.00 14.33 H new ATOM 0 HH12 ARG A 13 1.547 6.008 6.239 1.00 14.33 H new ATOM 0 HH21 ARG A 13 -0.287 5.106 3.362 1.00 40.51 H new ATOM 0 HH22 ARG A 13 -0.109 4.895 5.107 1.00 40.51 H new ATOM 200 N GLY A 14 3.696 8.852 -1.488 1.00 61.05 N ATOM 201 CA GLY A 14 4.245 8.160 -2.633 1.00 40.24 C ATOM 202 C GLY A 14 3.511 6.883 -2.926 1.00 63.13 C ATOM 203 O GLY A 14 2.378 6.699 -2.468 1.00 15.01 O ATOM 0 H GLY A 14 2.730 8.616 -1.262 1.00 61.05 H new ATOM 0 HA2 GLY A 14 4.201 8.812 -3.506 1.00 40.24 H new ATOM 0 HA3 GLY A 14 5.297 7.940 -2.453 1.00 40.24 H new ATOM 207 N LYS A 15 4.145 5.996 -3.686 1.00 11.25 N ATOM 208 CA LYS A 15 3.557 4.700 -4.002 1.00 5.25 C ATOM 209 C LYS A 15 3.589 3.815 -2.762 1.00 54.32 C ATOM 210 O LYS A 15 3.911 4.287 -1.666 1.00 43.00 O ATOM 211 CB LYS A 15 4.314 4.024 -5.156 1.00 13.34 C ATOM 212 CG LYS A 15 5.748 3.638 -4.830 1.00 14.25 C ATOM 213 CD LYS A 15 6.371 2.838 -5.963 1.00 42.44 C ATOM 214 CE LYS A 15 7.769 2.364 -5.607 1.00 34.34 C ATOM 215 NZ LYS A 15 8.401 1.610 -6.720 1.00 35.20 N ATOM 0 H LYS A 15 5.067 6.151 -4.095 1.00 11.25 H new ATOM 0 HA LYS A 15 2.524 4.848 -4.317 1.00 5.25 H new ATOM 0 HB2 LYS A 15 3.769 3.129 -5.456 1.00 13.34 H new ATOM 0 HB3 LYS A 15 4.318 4.696 -6.014 1.00 13.34 H new ATOM 0 HG2 LYS A 15 6.337 4.537 -4.648 1.00 14.25 H new ATOM 0 HG3 LYS A 15 5.770 3.051 -3.912 1.00 14.25 H new ATOM 0 HD2 LYS A 15 5.741 1.978 -6.192 1.00 42.44 H new ATOM 0 HD3 LYS A 15 6.412 3.451 -6.863 1.00 42.44 H new ATOM 0 HE2 LYS A 15 8.389 3.223 -5.353 1.00 34.34 H new ATOM 0 HE3 LYS A 15 7.723 1.731 -4.721 1.00 34.34 H new ATOM 0 HZ1 LYS A 15 9.354 1.305 -6.436 1.00 35.20 H new ATOM 0 HZ2 LYS A 15 7.823 0.775 -6.946 1.00 35.20 H new ATOM 0 HZ3 LYS A 15 8.469 2.221 -7.559 1.00 35.20 H new ATOM 229 N MET A 16 3.307 2.526 -2.916 1.00 50.03 N ATOM 230 CA MET A 16 3.277 1.611 -1.801 1.00 2.11 C ATOM 231 C MET A 16 4.291 0.502 -2.015 1.00 63.21 C ATOM 232 O MET A 16 4.768 0.293 -3.138 1.00 23.11 O ATOM 233 CB MET A 16 1.871 1.032 -1.617 1.00 14.12 C ATOM 234 CG MET A 16 0.811 2.086 -1.323 1.00 73.04 C ATOM 235 SD MET A 16 -0.849 1.396 -1.117 1.00 41.45 S ATOM 236 CE MET A 16 -0.624 0.383 0.346 1.00 53.14 C ATOM 0 H MET A 16 3.095 2.096 -3.816 1.00 50.03 H new ATOM 0 HA MET A 16 3.539 2.154 -0.893 1.00 2.11 H new ATOM 0 HB2 MET A 16 1.590 0.488 -2.519 1.00 14.12 H new ATOM 0 HB3 MET A 16 1.889 0.309 -0.801 1.00 14.12 H new ATOM 0 HG2 MET A 16 1.087 2.626 -0.417 1.00 73.04 H new ATOM 0 HG3 MET A 16 0.796 2.813 -2.135 1.00 73.04 H new ATOM 0 HE1 MET A 16 -0.778 -0.665 0.090 1.00 53.14 H new ATOM 0 HE2 MET A 16 0.387 0.518 0.730 1.00 53.14 H new ATOM 0 HE3 MET A 16 -1.344 0.680 1.108 1.00 53.14 H new ATOM 246 N SER A 17 4.632 -0.193 -0.941 1.00 3.03 N ATOM 247 CA SER A 17 5.608 -1.259 -1.012 1.00 34.42 C ATOM 248 C SER A 17 5.081 -2.402 -1.889 1.00 62.42 C ATOM 249 O SER A 17 3.868 -2.600 -2.003 1.00 71.32 O ATOM 250 CB SER A 17 5.918 -1.776 0.404 1.00 71.24 C ATOM 251 OG SER A 17 6.879 -2.822 0.384 1.00 10.05 O ATOM 0 H SER A 17 4.245 -0.035 -0.011 1.00 3.03 H new ATOM 0 HA SER A 17 6.524 -0.873 -1.458 1.00 34.42 H new ATOM 0 HB2 SER A 17 6.287 -0.955 1.018 1.00 71.24 H new ATOM 0 HB3 SER A 17 5.000 -2.135 0.869 1.00 71.24 H new ATOM 0 HG SER A 17 7.053 -3.124 1.300 1.00 10.05 H new ATOM 257 N SER A 18 5.994 -3.149 -2.490 1.00 0.11 N ATOM 258 CA SER A 18 5.642 -4.292 -3.324 1.00 3.41 C ATOM 259 C SER A 18 4.905 -5.359 -2.515 1.00 34.21 C ATOM 260 O SER A 18 4.204 -6.209 -3.069 1.00 51.31 O ATOM 261 CB SER A 18 6.903 -4.869 -3.955 1.00 12.03 C ATOM 262 OG SER A 18 7.668 -3.840 -4.573 1.00 44.41 O ATOM 0 H SER A 18 6.997 -2.982 -2.415 1.00 0.11 H new ATOM 0 HA SER A 18 4.969 -3.956 -4.112 1.00 3.41 H new ATOM 0 HB2 SER A 18 7.502 -5.368 -3.193 1.00 12.03 H new ATOM 0 HB3 SER A 18 6.634 -5.624 -4.694 1.00 12.03 H new ATOM 0 HG SER A 18 8.545 -4.194 -4.830 1.00 44.41 H new ATOM 268 N TYR A 19 5.052 -5.287 -1.204 1.00 20.12 N ATOM 269 CA TYR A 19 4.388 -6.208 -0.311 1.00 1.52 C ATOM 270 C TYR A 19 2.881 -5.932 -0.265 1.00 10.42 C ATOM 271 O TYR A 19 2.089 -6.838 -0.025 1.00 31.10 O ATOM 272 CB TYR A 19 4.998 -6.129 1.096 1.00 42.22 C ATOM 273 CG TYR A 19 4.221 -6.899 2.142 1.00 64.35 C ATOM 274 CD1 TYR A 19 4.097 -8.281 2.071 1.00 51.52 C ATOM 275 CD2 TYR A 19 3.597 -6.238 3.193 1.00 44.41 C ATOM 276 CE1 TYR A 19 3.372 -8.980 3.014 1.00 3.11 C ATOM 277 CE2 TYR A 19 2.876 -6.930 4.143 1.00 51.41 C ATOM 278 CZ TYR A 19 2.765 -8.300 4.048 1.00 42.33 C ATOM 279 OH TYR A 19 2.028 -8.991 4.982 1.00 13.40 O ATOM 0 H TYR A 19 5.632 -4.592 -0.735 1.00 20.12 H new ATOM 0 HA TYR A 19 4.535 -7.218 -0.692 1.00 1.52 H new ATOM 0 HB2 TYR A 19 6.019 -6.510 1.061 1.00 42.22 H new ATOM 0 HB3 TYR A 19 5.058 -5.083 1.398 1.00 42.22 H new ATOM 0 HD1 TYR A 19 4.576 -8.817 1.265 1.00 51.52 H new ATOM 0 HD2 TYR A 19 3.678 -5.164 3.267 1.00 44.41 H new ATOM 0 HE1 TYR A 19 3.281 -10.054 2.942 1.00 3.11 H new ATOM 0 HE2 TYR A 19 2.401 -6.401 4.956 1.00 51.41 H new ATOM 0 HH TYR A 19 2.595 -9.663 5.414 1.00 13.40 H new ATOM 289 N ALA A 20 2.488 -4.685 -0.531 1.00 42.20 N ATOM 290 CA ALA A 20 1.078 -4.302 -0.489 1.00 12.30 C ATOM 291 C ALA A 20 0.284 -5.056 -1.542 1.00 60.44 C ATOM 292 O ALA A 20 -0.778 -5.610 -1.256 1.00 75.05 O ATOM 293 CB ALA A 20 0.927 -2.801 -0.680 1.00 32.43 C ATOM 0 H ALA A 20 3.124 -3.927 -0.777 1.00 42.20 H new ATOM 0 HA ALA A 20 0.682 -4.567 0.491 1.00 12.30 H new ATOM 0 HB1 ALA A 20 -0.129 -2.534 -0.646 1.00 32.43 H new ATOM 0 HB2 ALA A 20 1.459 -2.278 0.114 1.00 32.43 H new ATOM 0 HB3 ALA A 20 1.343 -2.513 -1.646 1.00 32.43 H new ATOM 299 N PHE A 21 0.806 -5.080 -2.762 1.00 73.31 N ATOM 300 CA PHE A 21 0.172 -5.812 -3.851 1.00 54.24 C ATOM 301 C PHE A 21 0.140 -7.307 -3.570 1.00 71.14 C ATOM 302 O PHE A 21 -0.653 -8.050 -4.157 1.00 4.52 O ATOM 303 CB PHE A 21 0.868 -5.516 -5.176 1.00 45.12 C ATOM 304 CG PHE A 21 0.627 -4.116 -5.653 1.00 62.40 C ATOM 305 CD1 PHE A 21 1.399 -3.066 -5.185 1.00 11.11 C ATOM 306 CD2 PHE A 21 -0.384 -3.849 -6.559 1.00 70.34 C ATOM 307 CE1 PHE A 21 1.167 -1.776 -5.613 1.00 73.43 C ATOM 308 CE2 PHE A 21 -0.622 -2.561 -6.989 1.00 50.44 C ATOM 309 CZ PHE A 21 0.154 -1.524 -6.516 1.00 10.41 C ATOM 0 H PHE A 21 1.668 -4.600 -3.022 1.00 73.31 H new ATOM 0 HA PHE A 21 -0.861 -5.472 -3.926 1.00 54.24 H new ATOM 0 HB2 PHE A 21 1.940 -5.678 -5.063 1.00 45.12 H new ATOM 0 HB3 PHE A 21 0.517 -6.219 -5.932 1.00 45.12 H new ATOM 0 HD1 PHE A 21 2.191 -3.260 -4.477 1.00 11.11 H new ATOM 0 HD2 PHE A 21 -0.993 -4.658 -6.933 1.00 70.34 H new ATOM 0 HE1 PHE A 21 1.776 -0.965 -5.243 1.00 73.43 H new ATOM 0 HE2 PHE A 21 -1.415 -2.364 -7.695 1.00 50.44 H new ATOM 0 HZ PHE A 21 -0.031 -0.514 -6.852 1.00 10.41 H new ATOM 319 N PHE A 22 0.995 -7.752 -2.673 1.00 44.34 N ATOM 320 CA PHE A 22 0.982 -9.130 -2.264 1.00 12.23 C ATOM 321 C PHE A 22 -0.116 -9.332 -1.227 1.00 14.13 C ATOM 322 O PHE A 22 -0.788 -10.349 -1.222 1.00 63.44 O ATOM 323 CB PHE A 22 2.338 -9.554 -1.705 1.00 63.52 C ATOM 324 CG PHE A 22 2.413 -11.018 -1.385 1.00 30.24 C ATOM 325 CD1 PHE A 22 2.346 -11.962 -2.396 1.00 34.30 C ATOM 326 CD2 PHE A 22 2.543 -11.451 -0.077 1.00 50.31 C ATOM 327 CE1 PHE A 22 2.408 -13.309 -2.109 1.00 72.02 C ATOM 328 CE2 PHE A 22 2.605 -12.799 0.213 1.00 15.11 C ATOM 329 CZ PHE A 22 2.537 -13.727 -0.804 1.00 45.34 C ATOM 0 H PHE A 22 1.704 -7.177 -2.218 1.00 44.34 H new ATOM 0 HA PHE A 22 0.781 -9.756 -3.134 1.00 12.23 H new ATOM 0 HB2 PHE A 22 3.115 -9.306 -2.428 1.00 63.52 H new ATOM 0 HB3 PHE A 22 2.547 -8.980 -0.802 1.00 63.52 H new ATOM 0 HD1 PHE A 22 2.244 -11.639 -3.422 1.00 34.30 H new ATOM 0 HD2 PHE A 22 2.596 -10.728 0.724 1.00 50.31 H new ATOM 0 HE1 PHE A 22 2.355 -14.035 -2.907 1.00 72.02 H new ATOM 0 HE2 PHE A 22 2.707 -13.127 1.237 1.00 15.11 H new ATOM 0 HZ PHE A 22 2.585 -14.782 -0.577 1.00 45.34 H new ATOM 339 N VAL A 23 -0.295 -8.332 -0.362 1.00 55.11 N ATOM 340 CA VAL A 23 -1.340 -8.349 0.667 1.00 70.14 C ATOM 341 C VAL A 23 -2.727 -8.452 0.036 1.00 72.42 C ATOM 342 O VAL A 23 -3.578 -9.214 0.504 1.00 35.31 O ATOM 343 CB VAL A 23 -1.286 -7.066 1.543 1.00 15.43 C ATOM 344 CG1 VAL A 23 -2.462 -7.002 2.508 1.00 73.32 C ATOM 345 CG2 VAL A 23 0.017 -6.996 2.304 1.00 75.23 C ATOM 0 H VAL A 23 0.278 -7.488 -0.354 1.00 55.11 H new ATOM 0 HA VAL A 23 -1.157 -9.223 1.293 1.00 70.14 H new ATOM 0 HB VAL A 23 -1.351 -6.208 0.874 1.00 15.43 H new ATOM 0 HG11 VAL A 23 -2.394 -6.093 3.105 1.00 73.32 H new ATOM 0 HG12 VAL A 23 -3.395 -6.997 1.945 1.00 73.32 H new ATOM 0 HG13 VAL A 23 -2.440 -7.871 3.166 1.00 73.32 H new ATOM 0 HG21 VAL A 23 0.036 -6.091 2.911 1.00 75.23 H new ATOM 0 HG22 VAL A 23 0.108 -7.869 2.951 1.00 75.23 H new ATOM 0 HG23 VAL A 23 0.849 -6.978 1.600 1.00 75.23 H new ATOM 355 N GLN A 24 -2.920 -7.725 -1.058 1.00 43.21 N ATOM 356 CA GLN A 24 -4.225 -7.696 -1.709 1.00 3.53 C ATOM 357 C GLN A 24 -4.519 -9.063 -2.320 1.00 2.13 C ATOM 358 O GLN A 24 -5.671 -9.489 -2.410 1.00 74.22 O ATOM 359 CB GLN A 24 -4.282 -6.601 -2.789 1.00 44.03 C ATOM 360 CG GLN A 24 -3.450 -6.900 -4.022 1.00 41.25 C ATOM 361 CD GLN A 24 -3.471 -5.785 -5.042 1.00 22.24 C ATOM 362 OE1 GLN A 24 -3.579 -4.609 -4.699 1.00 74.41 O ATOM 363 NE2 GLN A 24 -3.377 -6.146 -6.304 1.00 35.33 N ATOM 0 H GLN A 24 -2.203 -7.156 -1.508 1.00 43.21 H new ATOM 0 HA GLN A 24 -4.983 -7.463 -0.961 1.00 3.53 H new ATOM 0 HB2 GLN A 24 -5.320 -6.457 -3.091 1.00 44.03 H new ATOM 0 HB3 GLN A 24 -3.943 -5.660 -2.355 1.00 44.03 H new ATOM 0 HG2 GLN A 24 -2.420 -7.087 -3.720 1.00 41.25 H new ATOM 0 HG3 GLN A 24 -3.817 -7.815 -4.487 1.00 41.25 H new ATOM 0 HE21 GLN A 24 -3.289 -7.133 -6.547 1.00 35.33 H new ATOM 0 HE22 GLN A 24 -3.392 -5.439 -7.039 1.00 35.33 H new ATOM 372 N THR A 25 -3.461 -9.741 -2.726 1.00 34.52 N ATOM 373 CA THR A 25 -3.573 -11.053 -3.309 1.00 52.01 C ATOM 374 C THR A 25 -3.652 -12.125 -2.211 1.00 63.13 C ATOM 375 O THR A 25 -4.657 -12.797 -2.089 1.00 53.21 O ATOM 376 CB THR A 25 -2.384 -11.334 -4.250 1.00 71.54 C ATOM 377 OG1 THR A 25 -2.222 -10.224 -5.153 1.00 23.24 O ATOM 378 CG2 THR A 25 -2.617 -12.608 -5.054 1.00 62.31 C ATOM 0 H THR A 25 -2.505 -9.393 -2.658 1.00 34.52 H new ATOM 0 HA THR A 25 -4.491 -11.089 -3.895 1.00 52.01 H new ATOM 0 HB THR A 25 -1.485 -11.464 -3.647 1.00 71.54 H new ATOM 0 HG1 THR A 25 -1.675 -9.532 -4.726 1.00 23.24 H new ATOM 0 HG21 THR A 25 -1.765 -12.785 -5.710 1.00 62.31 H new ATOM 0 HG22 THR A 25 -2.732 -13.452 -4.374 1.00 62.31 H new ATOM 0 HG23 THR A 25 -3.521 -12.500 -5.654 1.00 62.31 H new ATOM 386 N CYS A 26 -2.555 -12.306 -1.480 1.00 73.13 N ATOM 387 CA CYS A 26 -2.467 -13.238 -0.325 1.00 22.30 C ATOM 388 C CYS A 26 -3.798 -13.318 0.470 1.00 1.15 C ATOM 389 O CYS A 26 -4.288 -14.415 0.754 1.00 64.40 O ATOM 390 CB CYS A 26 -1.316 -12.779 0.599 1.00 15.50 C ATOM 391 SG CYS A 26 -0.893 -13.915 1.967 1.00 61.32 S ATOM 0 H CYS A 26 -1.683 -11.810 -1.664 1.00 73.13 H new ATOM 0 HA CYS A 26 -2.270 -14.239 -0.707 1.00 22.30 H new ATOM 0 HB2 CYS A 26 -0.425 -12.627 -0.010 1.00 15.50 H new ATOM 0 HB3 CYS A 26 -1.581 -11.811 1.024 1.00 15.50 H new ATOM 396 N ARG A 27 -4.383 -12.158 0.813 1.00 31.43 N ATOM 397 CA ARG A 27 -5.678 -12.133 1.514 1.00 42.45 C ATOM 398 C ARG A 27 -6.771 -12.745 0.642 1.00 42.51 C ATOM 399 O ARG A 27 -7.521 -13.624 1.080 1.00 2.13 O ATOM 400 CB ARG A 27 -6.079 -10.702 1.878 1.00 13.50 C ATOM 401 CG ARG A 27 -5.732 -10.277 3.293 1.00 71.22 C ATOM 402 CD ARG A 27 -4.239 -10.176 3.519 1.00 2.14 C ATOM 403 NE ARG A 27 -3.945 -9.626 4.844 1.00 41.54 N ATOM 404 CZ ARG A 27 -2.730 -9.330 5.298 1.00 32.15 C ATOM 405 NH1 ARG A 27 -1.651 -9.606 4.573 1.00 52.43 N ATOM 406 NH2 ARG A 27 -2.597 -8.773 6.491 1.00 42.12 N ATOM 0 H ARG A 27 -3.987 -11.238 0.620 1.00 31.43 H new ATOM 0 HA ARG A 27 -5.566 -12.717 2.428 1.00 42.45 H new ATOM 0 HB2 ARG A 27 -5.596 -10.017 1.181 1.00 13.50 H new ATOM 0 HB3 ARG A 27 -7.154 -10.595 1.736 1.00 13.50 H new ATOM 0 HG2 ARG A 27 -6.194 -9.312 3.503 1.00 71.22 H new ATOM 0 HG3 ARG A 27 -6.155 -10.993 3.998 1.00 71.22 H new ATOM 0 HD2 ARG A 27 -3.785 -11.162 3.422 1.00 2.14 H new ATOM 0 HD3 ARG A 27 -3.793 -9.543 2.752 1.00 2.14 H new ATOM 0 HE ARG A 27 -4.734 -9.457 5.468 1.00 41.54 H new ATOM 0 HH11 ARG A 27 -1.750 -10.049 3.659 1.00 52.43 H new ATOM 0 HH12 ARG A 27 -0.724 -9.375 4.930 1.00 52.43 H new ATOM 0 HH21 ARG A 27 -3.423 -8.574 7.056 1.00 42.12 H new ATOM 0 HH22 ARG A 27 -1.669 -8.543 6.846 1.00 42.12 H new ATOM 420 N GLU A 28 -6.839 -12.268 -0.595 1.00 5.33 N ATOM 421 CA GLU A 28 -7.816 -12.719 -1.576 1.00 52.25 C ATOM 422 C GLU A 28 -7.774 -14.233 -1.750 1.00 23.24 C ATOM 423 O GLU A 28 -8.809 -14.885 -1.723 1.00 31.11 O ATOM 424 CB GLU A 28 -7.547 -12.036 -2.921 1.00 62.11 C ATOM 425 CG GLU A 28 -8.421 -12.521 -4.065 1.00 4.31 C ATOM 426 CD GLU A 28 -8.004 -11.930 -5.390 1.00 21.43 C ATOM 427 OE1 GLU A 28 -8.376 -10.776 -5.669 1.00 20.25 O ATOM 428 OE2 GLU A 28 -7.292 -12.614 -6.157 1.00 13.14 O ATOM 0 H GLU A 28 -6.209 -11.548 -0.949 1.00 5.33 H new ATOM 0 HA GLU A 28 -8.808 -12.449 -1.215 1.00 52.25 H new ATOM 0 HB2 GLU A 28 -7.690 -10.962 -2.803 1.00 62.11 H new ATOM 0 HB3 GLU A 28 -6.502 -12.191 -3.189 1.00 62.11 H new ATOM 0 HG2 GLU A 28 -8.372 -13.608 -4.122 1.00 4.31 H new ATOM 0 HG3 GLU A 28 -9.460 -12.259 -3.863 1.00 4.31 H new ATOM 435 N GLU A 29 -6.568 -14.787 -1.904 1.00 24.02 N ATOM 436 CA GLU A 29 -6.391 -16.222 -2.123 1.00 72.34 C ATOM 437 C GLU A 29 -7.056 -17.027 -1.019 1.00 41.11 C ATOM 438 O GLU A 29 -7.806 -17.964 -1.283 1.00 43.33 O ATOM 439 CB GLU A 29 -4.903 -16.573 -2.162 1.00 74.54 C ATOM 440 CG GLU A 29 -4.116 -15.884 -3.261 1.00 43.01 C ATOM 441 CD GLU A 29 -2.638 -16.200 -3.181 1.00 62.14 C ATOM 442 OE1 GLU A 29 -2.209 -17.234 -3.744 1.00 43.43 O ATOM 443 OE2 GLU A 29 -1.900 -15.438 -2.540 1.00 74.23 O ATOM 0 H GLU A 29 -5.696 -14.258 -1.881 1.00 24.02 H new ATOM 0 HA GLU A 29 -6.856 -16.471 -3.077 1.00 72.34 H new ATOM 0 HB2 GLU A 29 -4.458 -16.317 -1.200 1.00 74.54 H new ATOM 0 HB3 GLU A 29 -4.801 -17.651 -2.283 1.00 74.54 H new ATOM 0 HG2 GLU A 29 -4.501 -16.194 -4.232 1.00 43.01 H new ATOM 0 HG3 GLU A 29 -4.261 -14.806 -3.190 1.00 43.01 H new ATOM 450 N HIS A 30 -6.802 -16.628 0.214 1.00 55.32 N ATOM 451 CA HIS A 30 -7.311 -17.345 1.370 1.00 72.42 C ATOM 452 C HIS A 30 -8.817 -17.162 1.510 1.00 44.12 C ATOM 453 O HIS A 30 -9.513 -18.053 1.981 1.00 75.03 O ATOM 454 CB HIS A 30 -6.595 -16.878 2.638 1.00 74.31 C ATOM 455 CG HIS A 30 -6.821 -17.754 3.841 1.00 74.22 C ATOM 456 ND1 HIS A 30 -5.894 -18.670 4.284 1.00 41.14 N ATOM 457 CD2 HIS A 30 -7.863 -17.834 4.707 1.00 12.14 C ATOM 458 CE1 HIS A 30 -6.349 -19.274 5.362 1.00 40.00 C ATOM 459 NE2 HIS A 30 -7.541 -18.785 5.639 1.00 3.33 N ATOM 0 H HIS A 30 -6.243 -15.806 0.442 1.00 55.32 H new ATOM 0 HA HIS A 30 -7.115 -18.407 1.225 1.00 72.42 H new ATOM 0 HB2 HIS A 30 -5.525 -16.827 2.438 1.00 74.31 H new ATOM 0 HB3 HIS A 30 -6.924 -15.866 2.874 1.00 74.31 H new ATOM 0 HD2 HIS A 30 -8.775 -17.256 4.669 1.00 12.14 H new ATOM 0 HE1 HIS A 30 -5.833 -20.039 5.923 1.00 40.00 H new ATOM 0 HE2 HIS A 30 -8.130 -19.069 6.422 1.00 3.33 H new ATOM 468 N LYS A 31 -9.312 -16.011 1.093 1.00 12.41 N ATOM 469 CA LYS A 31 -10.734 -15.711 1.187 1.00 75.55 C ATOM 470 C LYS A 31 -11.510 -16.421 0.077 1.00 43.35 C ATOM 471 O LYS A 31 -12.643 -16.855 0.270 1.00 61.22 O ATOM 472 CB LYS A 31 -10.947 -14.197 1.119 1.00 45.11 C ATOM 473 CG LYS A 31 -12.382 -13.752 1.326 1.00 51.54 C ATOM 474 CD LYS A 31 -12.464 -12.246 1.489 1.00 20.53 C ATOM 475 CE LYS A 31 -13.888 -11.788 1.733 1.00 53.41 C ATOM 476 NZ LYS A 31 -13.954 -10.338 2.028 1.00 44.43 N ATOM 0 H LYS A 31 -8.750 -15.264 0.684 1.00 12.41 H new ATOM 0 HA LYS A 31 -11.111 -16.076 2.142 1.00 75.55 H new ATOM 0 HB2 LYS A 31 -10.320 -13.721 1.873 1.00 45.11 H new ATOM 0 HB3 LYS A 31 -10.606 -13.838 0.148 1.00 45.11 H new ATOM 0 HG2 LYS A 31 -12.990 -14.063 0.476 1.00 51.54 H new ATOM 0 HG3 LYS A 31 -12.795 -14.240 2.209 1.00 51.54 H new ATOM 0 HD2 LYS A 31 -11.833 -11.935 2.322 1.00 20.53 H new ATOM 0 HD3 LYS A 31 -12.073 -11.761 0.595 1.00 20.53 H new ATOM 0 HE2 LYS A 31 -14.497 -12.009 0.856 1.00 53.41 H new ATOM 0 HE3 LYS A 31 -14.313 -12.349 2.566 1.00 53.41 H new ATOM 0 HZ1 LYS A 31 -14.943 -10.061 2.189 1.00 44.43 H new ATOM 0 HZ2 LYS A 31 -13.393 -10.131 2.879 1.00 44.43 H new ATOM 0 HZ3 LYS A 31 -13.572 -9.802 1.223 1.00 44.43 H new ATOM 490 N LYS A 32 -10.902 -16.514 -1.085 1.00 70.25 N ATOM 491 CA LYS A 32 -11.520 -17.224 -2.193 1.00 15.20 C ATOM 492 C LYS A 32 -11.522 -18.727 -1.925 1.00 41.14 C ATOM 493 O LYS A 32 -12.455 -19.433 -2.300 1.00 60.21 O ATOM 494 CB LYS A 32 -10.812 -16.912 -3.514 1.00 65.35 C ATOM 495 CG LYS A 32 -10.862 -15.442 -3.912 1.00 73.42 C ATOM 496 CD LYS A 32 -12.292 -14.934 -4.004 1.00 12.33 C ATOM 497 CE LYS A 32 -12.331 -13.468 -4.398 1.00 1.04 C ATOM 498 NZ LYS A 32 -13.717 -12.948 -4.442 1.00 61.32 N ATOM 0 H LYS A 32 -9.987 -16.112 -1.291 1.00 70.25 H new ATOM 0 HA LYS A 32 -12.552 -16.884 -2.280 1.00 15.20 H new ATOM 0 HB2 LYS A 32 -9.770 -17.222 -3.438 1.00 65.35 H new ATOM 0 HB3 LYS A 32 -11.265 -17.508 -4.307 1.00 65.35 H new ATOM 0 HG2 LYS A 32 -10.311 -14.848 -3.183 1.00 73.42 H new ATOM 0 HG3 LYS A 32 -10.365 -15.308 -4.873 1.00 73.42 H new ATOM 0 HD2 LYS A 32 -12.844 -15.524 -4.735 1.00 12.33 H new ATOM 0 HD3 LYS A 32 -12.791 -15.068 -3.044 1.00 12.33 H new ATOM 0 HE2 LYS A 32 -11.746 -12.885 -3.687 1.00 1.04 H new ATOM 0 HE3 LYS A 32 -11.864 -13.341 -5.375 1.00 1.04 H new ATOM 0 HZ1 LYS A 32 -13.703 -11.944 -4.715 1.00 61.32 H new ATOM 0 HZ2 LYS A 32 -14.269 -13.488 -5.139 1.00 61.32 H new ATOM 0 HZ3 LYS A 32 -14.154 -13.046 -3.504 1.00 61.32 H new ATOM 512 N LYS A 33 -10.471 -19.211 -1.272 1.00 12.45 N ATOM 513 CA LYS A 33 -10.387 -20.622 -0.906 1.00 43.45 C ATOM 514 C LYS A 33 -11.264 -20.913 0.308 1.00 50.35 C ATOM 515 O LYS A 33 -11.785 -22.013 0.460 1.00 25.43 O ATOM 516 CB LYS A 33 -8.937 -21.029 -0.611 1.00 51.23 C ATOM 517 CG LYS A 33 -8.007 -20.974 -1.817 1.00 65.53 C ATOM 518 CD LYS A 33 -8.436 -21.949 -2.902 1.00 30.31 C ATOM 519 CE LYS A 33 -7.482 -21.914 -4.087 1.00 54.31 C ATOM 520 NZ LYS A 33 -6.099 -22.309 -3.705 1.00 73.42 N ATOM 0 H LYS A 33 -9.668 -18.651 -0.986 1.00 12.45 H new ATOM 0 HA LYS A 33 -10.746 -21.208 -1.752 1.00 43.45 H new ATOM 0 HB2 LYS A 33 -8.541 -20.377 0.167 1.00 51.23 H new ATOM 0 HB3 LYS A 33 -8.932 -22.043 -0.210 1.00 51.23 H new ATOM 0 HG2 LYS A 33 -7.995 -19.962 -2.221 1.00 65.53 H new ATOM 0 HG3 LYS A 33 -6.989 -21.204 -1.503 1.00 65.53 H new ATOM 0 HD2 LYS A 33 -8.473 -22.958 -2.492 1.00 30.31 H new ATOM 0 HD3 LYS A 33 -9.444 -21.703 -3.237 1.00 30.31 H new ATOM 0 HE2 LYS A 33 -7.848 -22.583 -4.866 1.00 54.31 H new ATOM 0 HE3 LYS A 33 -7.468 -20.910 -4.511 1.00 54.31 H new ATOM 0 HZ1 LYS A 33 -5.543 -22.501 -4.563 1.00 73.42 H new ATOM 0 HZ2 LYS A 33 -5.653 -21.537 -3.169 1.00 73.42 H new ATOM 0 HZ3 LYS A 33 -6.133 -23.165 -3.115 1.00 73.42 H new ATOM 534 N HIS A 34 -11.423 -19.919 1.163 1.00 42.41 N ATOM 535 CA HIS A 34 -12.223 -20.051 2.374 1.00 53.51 C ATOM 536 C HIS A 34 -13.096 -18.818 2.570 1.00 11.23 C ATOM 537 O HIS A 34 -12.639 -17.802 3.095 1.00 31.42 O ATOM 538 CB HIS A 34 -11.333 -20.275 3.610 1.00 14.32 C ATOM 539 CG HIS A 34 -10.866 -21.692 3.781 1.00 64.33 C ATOM 540 ND1 HIS A 34 -11.255 -22.486 4.835 1.00 31.13 N ATOM 541 CD2 HIS A 34 -10.047 -22.460 3.024 1.00 23.35 C ATOM 542 CE1 HIS A 34 -10.699 -23.673 4.723 1.00 1.23 C ATOM 543 NE2 HIS A 34 -9.961 -23.685 3.632 1.00 42.12 N ATOM 0 H HIS A 34 -11.003 -18.997 1.041 1.00 42.41 H new ATOM 0 HA HIS A 34 -12.864 -20.925 2.258 1.00 53.51 H new ATOM 0 HB2 HIS A 34 -10.462 -19.623 3.540 1.00 14.32 H new ATOM 0 HB3 HIS A 34 -11.885 -19.976 4.501 1.00 14.32 H new ATOM 0 HD2 HIS A 34 -9.553 -22.162 2.111 1.00 23.35 H new ATOM 0 HE1 HIS A 34 -10.826 -24.497 5.409 1.00 1.23 H new ATOM 0 HE2 HIS A 34 -9.414 -24.477 3.295 1.00 42.12 H new ATOM 552 N PRO A 35 -14.364 -18.888 2.116 1.00 32.13 N ATOM 553 CA PRO A 35 -15.323 -17.771 2.216 1.00 20.34 C ATOM 554 C PRO A 35 -15.584 -17.332 3.659 1.00 51.13 C ATOM 555 O PRO A 35 -16.039 -16.217 3.907 1.00 63.32 O ATOM 556 CB PRO A 35 -16.606 -18.344 1.596 1.00 74.45 C ATOM 557 CG PRO A 35 -16.139 -19.466 0.738 1.00 22.11 C ATOM 558 CD PRO A 35 -14.959 -20.055 1.444 1.00 11.40 C ATOM 0 HA PRO A 35 -14.946 -16.878 1.717 1.00 20.34 H new ATOM 0 HB2 PRO A 35 -17.296 -18.693 2.364 1.00 74.45 H new ATOM 0 HB3 PRO A 35 -17.134 -17.591 1.011 1.00 74.45 H new ATOM 0 HG2 PRO A 35 -16.925 -20.209 0.604 1.00 22.11 H new ATOM 0 HG3 PRO A 35 -15.863 -19.111 -0.255 1.00 22.11 H new ATOM 0 HD2 PRO A 35 -15.257 -20.824 2.157 1.00 11.40 H new ATOM 0 HD3 PRO A 35 -14.261 -20.520 0.747 1.00 11.40 H new ATOM 566 N ASP A 36 -15.301 -18.212 4.608 1.00 64.14 N ATOM 567 CA ASP A 36 -15.472 -17.917 6.031 1.00 13.22 C ATOM 568 C ASP A 36 -14.186 -17.280 6.589 1.00 20.22 C ATOM 569 O ASP A 36 -13.881 -17.396 7.779 1.00 3.32 O ATOM 570 CB ASP A 36 -15.831 -19.204 6.787 1.00 31.54 C ATOM 571 CG ASP A 36 -16.283 -18.955 8.214 1.00 73.33 C ATOM 572 OD1 ASP A 36 -17.186 -18.111 8.427 1.00 51.12 O ATOM 573 OD2 ASP A 36 -15.756 -19.622 9.130 1.00 0.22 O ATOM 0 H ASP A 36 -14.947 -19.150 4.419 1.00 64.14 H new ATOM 0 HA ASP A 36 -16.287 -17.206 6.165 1.00 13.22 H new ATOM 0 HB2 ASP A 36 -16.622 -19.725 6.248 1.00 31.54 H new ATOM 0 HB3 ASP A 36 -14.964 -19.865 6.798 1.00 31.54 H new ATOM 578 N ALA A 37 -13.438 -16.633 5.666 1.00 21.12 N ATOM 579 CA ALA A 37 -12.144 -15.946 5.905 1.00 24.03 C ATOM 580 C ALA A 37 -11.814 -15.688 7.370 1.00 54.31 C ATOM 581 O ALA A 37 -10.830 -16.239 7.875 1.00 72.55 O ATOM 582 CB ALA A 37 -12.085 -14.648 5.117 1.00 70.34 C ATOM 0 H ALA A 37 -13.731 -16.572 4.691 1.00 21.12 H new ATOM 0 HA ALA A 37 -11.380 -16.641 5.556 1.00 24.03 H new ATOM 0 HB1 ALA A 37 -11.131 -14.154 5.301 1.00 70.34 H new ATOM 0 HB2 ALA A 37 -12.183 -14.864 4.053 1.00 70.34 H new ATOM 0 HB3 ALA A 37 -12.899 -13.994 5.431 1.00 70.34 H new ATOM 588 N SER A 38 -12.665 -14.901 8.079 1.00 51.03 N ATOM 589 CA SER A 38 -12.435 -14.519 9.483 1.00 53.35 C ATOM 590 C SER A 38 -10.956 -14.204 9.737 1.00 74.55 C ATOM 591 O SER A 38 -10.394 -14.583 10.766 1.00 10.21 O ATOM 592 CB SER A 38 -12.930 -15.620 10.423 1.00 73.11 C ATOM 593 OG SER A 38 -13.113 -15.125 11.742 1.00 60.44 O ATOM 0 H SER A 38 -13.526 -14.518 7.688 1.00 51.03 H new ATOM 0 HA SER A 38 -13.004 -13.612 9.686 1.00 53.35 H new ATOM 0 HB2 SER A 38 -13.871 -16.025 10.050 1.00 73.11 H new ATOM 0 HB3 SER A 38 -12.213 -16.441 10.436 1.00 73.11 H new ATOM 0 HG SER A 38 -12.284 -14.704 12.051 1.00 60.44 H new ATOM 599 N VAL A 39 -10.335 -13.510 8.795 1.00 23.20 N ATOM 600 CA VAL A 39 -8.916 -13.232 8.877 1.00 3.53 C ATOM 601 C VAL A 39 -8.603 -12.044 9.786 1.00 54.43 C ATOM 602 O VAL A 39 -9.492 -11.300 10.211 1.00 60.33 O ATOM 603 CB VAL A 39 -8.291 -12.989 7.478 1.00 11.42 C ATOM 604 CG1 VAL A 39 -8.334 -14.258 6.640 1.00 65.03 C ATOM 605 CG2 VAL A 39 -8.997 -11.847 6.758 1.00 72.11 C ATOM 0 H VAL A 39 -10.794 -13.131 7.967 1.00 23.20 H new ATOM 0 HA VAL A 39 -8.468 -14.124 9.314 1.00 3.53 H new ATOM 0 HB VAL A 39 -7.248 -12.708 7.620 1.00 11.42 H new ATOM 0 HG11 VAL A 39 -7.891 -14.064 5.663 1.00 65.03 H new ATOM 0 HG12 VAL A 39 -7.773 -15.046 7.143 1.00 65.03 H new ATOM 0 HG13 VAL A 39 -9.369 -14.575 6.512 1.00 65.03 H new ATOM 0 HG21 VAL A 39 -8.541 -11.696 5.780 1.00 72.11 H new ATOM 0 HG22 VAL A 39 -10.052 -12.093 6.632 1.00 72.11 H new ATOM 0 HG23 VAL A 39 -8.905 -10.934 7.346 1.00 72.11 H new ATOM 615 N ASN A 40 -7.337 -11.902 10.069 1.00 14.41 N ATOM 616 CA ASN A 40 -6.850 -10.812 10.904 1.00 10.41 C ATOM 617 C ASN A 40 -5.605 -10.202 10.281 1.00 20.14 C ATOM 618 O ASN A 40 -4.643 -10.907 9.984 1.00 74.01 O ATOM 619 CB ASN A 40 -6.583 -11.324 12.331 1.00 54.24 C ATOM 620 CG ASN A 40 -5.845 -10.333 13.225 1.00 61.32 C ATOM 621 OD1 ASN A 40 -5.914 -9.117 13.036 1.00 31.44 O ATOM 622 ND2 ASN A 40 -5.141 -10.856 14.216 1.00 15.33 N ATOM 0 H ASN A 40 -6.607 -12.531 9.734 1.00 14.41 H new ATOM 0 HA ASN A 40 -7.607 -10.031 10.968 1.00 10.41 H new ATOM 0 HB2 ASN A 40 -7.535 -11.577 12.798 1.00 54.24 H new ATOM 0 HB3 ASN A 40 -6.002 -12.244 12.272 1.00 54.24 H new ATOM 0 HD21 ASN A 40 -4.631 -10.247 14.856 1.00 15.33 H new ATOM 0 HD22 ASN A 40 -5.108 -11.868 14.340 1.00 15.33 H new ATOM 629 N PHE A 41 -5.617 -8.888 10.119 1.00 35.14 N ATOM 630 CA PHE A 41 -4.541 -8.184 9.429 1.00 74.21 C ATOM 631 C PHE A 41 -3.214 -8.272 10.176 1.00 13.00 C ATOM 632 O PHE A 41 -2.160 -8.224 9.566 1.00 73.05 O ATOM 633 CB PHE A 41 -4.922 -6.716 9.198 1.00 22.33 C ATOM 634 CG PHE A 41 -4.113 -6.034 8.125 1.00 43.03 C ATOM 635 CD1 PHE A 41 -4.511 -6.096 6.799 1.00 42.12 C ATOM 636 CD2 PHE A 41 -2.962 -5.335 8.441 1.00 30.55 C ATOM 637 CE1 PHE A 41 -3.775 -5.474 5.811 1.00 14.43 C ATOM 638 CE2 PHE A 41 -2.221 -4.712 7.457 1.00 71.43 C ATOM 639 CZ PHE A 41 -2.629 -4.781 6.141 1.00 22.41 C ATOM 0 H PHE A 41 -6.364 -8.282 10.458 1.00 35.14 H new ATOM 0 HA PHE A 41 -4.404 -8.678 8.467 1.00 74.21 H new ATOM 0 HB2 PHE A 41 -5.978 -6.663 8.932 1.00 22.33 H new ATOM 0 HB3 PHE A 41 -4.801 -6.169 10.133 1.00 22.33 H new ATOM 0 HD1 PHE A 41 -5.408 -6.637 6.536 1.00 42.12 H new ATOM 0 HD2 PHE A 41 -2.639 -5.276 9.470 1.00 30.55 H new ATOM 0 HE1 PHE A 41 -4.096 -5.530 4.781 1.00 14.43 H new ATOM 0 HE2 PHE A 41 -1.323 -4.171 7.717 1.00 71.43 H new ATOM 0 HZ PHE A 41 -2.052 -4.293 5.370 1.00 22.41 H new ATOM 649 N SER A 42 -3.266 -8.446 11.478 1.00 2.31 N ATOM 650 CA SER A 42 -2.047 -8.476 12.265 1.00 34.24 C ATOM 651 C SER A 42 -1.310 -9.809 12.138 1.00 45.40 C ATOM 652 O SER A 42 -0.087 -9.839 12.011 1.00 15.22 O ATOM 653 CB SER A 42 -2.355 -8.155 13.724 1.00 43.30 C ATOM 654 OG SER A 42 -2.972 -6.880 13.829 1.00 25.01 O ATOM 0 H SER A 42 -4.127 -8.568 12.012 1.00 2.31 H new ATOM 0 HA SER A 42 -1.379 -7.711 11.870 1.00 34.24 H new ATOM 0 HB2 SER A 42 -3.011 -8.919 14.141 1.00 43.30 H new ATOM 0 HB3 SER A 42 -1.435 -8.171 14.309 1.00 43.30 H new ATOM 0 HG SER A 42 -3.166 -6.687 14.770 1.00 25.01 H new ATOM 660 N GLU A 43 -2.047 -10.900 12.147 1.00 45.42 N ATOM 661 CA GLU A 43 -1.431 -12.215 12.070 1.00 72.04 C ATOM 662 C GLU A 43 -1.264 -12.674 10.628 1.00 34.43 C ATOM 663 O GLU A 43 -0.327 -13.393 10.306 1.00 3.13 O ATOM 664 CB GLU A 43 -2.241 -13.230 12.865 1.00 11.52 C ATOM 665 CG GLU A 43 -3.674 -13.355 12.405 1.00 73.50 C ATOM 666 CD GLU A 43 -4.493 -14.227 13.312 1.00 34.31 C ATOM 667 OE1 GLU A 43 -4.999 -13.712 14.327 1.00 60.43 O ATOM 668 OE2 GLU A 43 -4.634 -15.431 13.019 1.00 52.53 O ATOM 0 H GLU A 43 -3.065 -10.907 12.206 1.00 45.42 H new ATOM 0 HA GLU A 43 -0.436 -12.140 12.508 1.00 72.04 H new ATOM 0 HB2 GLU A 43 -1.759 -14.205 12.792 1.00 11.52 H new ATOM 0 HB3 GLU A 43 -2.230 -12.947 13.918 1.00 11.52 H new ATOM 0 HG2 GLU A 43 -4.124 -12.364 12.355 1.00 73.50 H new ATOM 0 HG3 GLU A 43 -3.694 -13.766 11.395 1.00 73.50 H new ATOM 675 N PHE A 44 -2.164 -12.261 9.760 1.00 52.30 N ATOM 676 CA PHE A 44 -2.084 -12.670 8.377 1.00 72.14 C ATOM 677 C PHE A 44 -0.888 -12.017 7.688 1.00 12.50 C ATOM 678 O PHE A 44 -0.239 -12.634 6.849 1.00 60.23 O ATOM 679 CB PHE A 44 -3.381 -12.360 7.636 1.00 21.22 C ATOM 680 CG PHE A 44 -3.707 -13.374 6.582 1.00 32.04 C ATOM 681 CD1 PHE A 44 -4.238 -14.602 6.934 1.00 33.31 C ATOM 682 CD2 PHE A 44 -3.473 -13.110 5.250 1.00 64.12 C ATOM 683 CE1 PHE A 44 -4.533 -15.544 5.974 1.00 5.15 C ATOM 684 CE2 PHE A 44 -3.763 -14.050 4.283 1.00 15.32 C ATOM 685 CZ PHE A 44 -4.292 -15.267 4.647 1.00 51.21 C ATOM 0 H PHE A 44 -2.949 -11.650 9.985 1.00 52.30 H new ATOM 0 HA PHE A 44 -1.939 -13.750 8.353 1.00 72.14 H new ATOM 0 HB2 PHE A 44 -4.201 -12.312 8.353 1.00 21.22 H new ATOM 0 HB3 PHE A 44 -3.303 -11.376 7.174 1.00 21.22 H new ATOM 0 HD1 PHE A 44 -4.423 -14.825 7.974 1.00 33.31 H new ATOM 0 HD2 PHE A 44 -3.058 -12.156 4.960 1.00 64.12 H new ATOM 0 HE1 PHE A 44 -4.952 -16.497 6.261 1.00 5.15 H new ATOM 0 HE2 PHE A 44 -3.575 -13.831 3.242 1.00 15.32 H new ATOM 0 HZ PHE A 44 -4.518 -16.005 3.892 1.00 51.21 H new ATOM 695 N SER A 45 -0.599 -10.761 8.047 1.00 43.04 N ATOM 696 CA SER A 45 0.553 -10.060 7.492 1.00 2.34 C ATOM 697 C SER A 45 1.851 -10.834 7.690 1.00 64.13 C ATOM 698 O SER A 45 2.630 -10.970 6.752 1.00 62.13 O ATOM 699 CB SER A 45 0.681 -8.654 8.072 1.00 31.23 C ATOM 700 OG SER A 45 -0.340 -7.811 7.575 1.00 54.04 O ATOM 0 H SER A 45 -1.145 -10.217 8.715 1.00 43.04 H new ATOM 0 HA SER A 45 0.378 -9.979 6.419 1.00 2.34 H new ATOM 0 HB2 SER A 45 0.625 -8.698 9.160 1.00 31.23 H new ATOM 0 HB3 SER A 45 1.657 -8.239 7.819 1.00 31.23 H new ATOM 0 HG SER A 45 -1.053 -7.733 8.242 1.00 54.04 H new ATOM 706 N LYS A 46 2.077 -11.357 8.898 1.00 60.22 N ATOM 707 CA LYS A 46 3.305 -12.098 9.168 1.00 25.24 C ATOM 708 C LYS A 46 3.347 -13.411 8.385 1.00 63.24 C ATOM 709 O LYS A 46 4.417 -13.915 8.055 1.00 33.41 O ATOM 710 CB LYS A 46 3.533 -12.308 10.691 1.00 33.51 C ATOM 711 CG LYS A 46 2.409 -13.011 11.448 1.00 73.41 C ATOM 712 CD LYS A 46 2.500 -14.529 11.341 1.00 33.13 C ATOM 713 CE LYS A 46 1.403 -15.205 12.153 1.00 70.22 C ATOM 714 NZ LYS A 46 1.498 -16.682 12.095 1.00 14.42 N ATOM 0 H LYS A 46 1.437 -11.282 9.689 1.00 60.22 H new ATOM 0 HA LYS A 46 4.139 -11.491 8.815 1.00 25.24 H new ATOM 0 HB2 LYS A 46 4.449 -12.884 10.825 1.00 33.51 H new ATOM 0 HB3 LYS A 46 3.699 -11.334 11.151 1.00 33.51 H new ATOM 0 HG2 LYS A 46 2.444 -12.720 12.498 1.00 73.41 H new ATOM 0 HG3 LYS A 46 1.447 -12.678 11.057 1.00 73.41 H new ATOM 0 HD2 LYS A 46 2.419 -14.828 10.296 1.00 33.13 H new ATOM 0 HD3 LYS A 46 3.476 -14.863 11.694 1.00 33.13 H new ATOM 0 HE2 LYS A 46 1.467 -14.878 13.191 1.00 70.22 H new ATOM 0 HE3 LYS A 46 0.429 -14.890 11.779 1.00 70.22 H new ATOM 0 HZ1 LYS A 46 0.733 -17.102 12.661 1.00 14.42 H new ATOM 0 HZ2 LYS A 46 1.411 -16.997 11.108 1.00 14.42 H new ATOM 0 HZ3 LYS A 46 2.417 -16.986 12.476 1.00 14.42 H new ATOM 728 N LYS A 47 2.177 -13.966 8.104 1.00 72.55 N ATOM 729 CA LYS A 47 2.083 -15.158 7.283 1.00 23.54 C ATOM 730 C LYS A 47 2.404 -14.827 5.823 1.00 13.11 C ATOM 731 O LYS A 47 3.158 -15.542 5.161 1.00 1.14 O ATOM 732 CB LYS A 47 0.687 -15.763 7.392 1.00 52.54 C ATOM 733 CG LYS A 47 0.479 -16.976 6.515 1.00 23.50 C ATOM 734 CD LYS A 47 -0.924 -17.523 6.654 1.00 75.03 C ATOM 735 CE LYS A 47 -1.155 -18.676 5.701 1.00 1.45 C ATOM 736 NZ LYS A 47 -0.210 -19.794 5.941 1.00 20.43 N ATOM 0 H LYS A 47 1.281 -13.608 8.434 1.00 72.55 H new ATOM 0 HA LYS A 47 2.810 -15.886 7.642 1.00 23.54 H new ATOM 0 HB2 LYS A 47 0.501 -16.040 8.430 1.00 52.54 H new ATOM 0 HB3 LYS A 47 -0.050 -15.004 7.128 1.00 52.54 H new ATOM 0 HG2 LYS A 47 0.666 -16.711 5.474 1.00 23.50 H new ATOM 0 HG3 LYS A 47 1.200 -17.748 6.782 1.00 23.50 H new ATOM 0 HD2 LYS A 47 -1.088 -17.856 7.679 1.00 75.03 H new ATOM 0 HD3 LYS A 47 -1.648 -16.732 6.456 1.00 75.03 H new ATOM 0 HE2 LYS A 47 -2.178 -19.036 5.810 1.00 1.45 H new ATOM 0 HE3 LYS A 47 -1.048 -18.325 4.675 1.00 1.45 H new ATOM 0 HZ1 LYS A 47 -0.525 -20.634 5.415 1.00 20.43 H new ATOM 0 HZ2 LYS A 47 0.740 -19.520 5.619 1.00 20.43 H new ATOM 0 HZ3 LYS A 47 -0.182 -20.012 6.957 1.00 20.43 H new ATOM 750 N CYS A 48 1.847 -13.737 5.345 1.00 13.12 N ATOM 751 CA CYS A 48 2.084 -13.315 3.975 1.00 14.32 C ATOM 752 C CYS A 48 3.530 -12.868 3.768 1.00 15.21 C ATOM 753 O CYS A 48 4.197 -13.359 2.871 1.00 4.24 O ATOM 754 CB CYS A 48 1.112 -12.205 3.554 1.00 60.35 C ATOM 755 SG CYS A 48 -0.653 -12.684 3.578 1.00 61.33 S ATOM 0 H CYS A 48 1.229 -13.126 5.879 1.00 13.12 H new ATOM 0 HA CYS A 48 1.905 -14.182 3.338 1.00 14.32 H new ATOM 0 HB2 CYS A 48 1.251 -11.349 4.215 1.00 60.35 H new ATOM 0 HB3 CYS A 48 1.371 -11.876 2.548 1.00 60.35 H new ATOM 760 N SER A 49 3.993 -11.913 4.577 1.00 32.42 N ATOM 761 CA SER A 49 5.370 -11.402 4.472 1.00 53.22 C ATOM 762 C SER A 49 6.405 -12.529 4.405 1.00 33.43 C ATOM 763 O SER A 49 7.324 -12.482 3.592 1.00 41.00 O ATOM 764 CB SER A 49 5.689 -10.444 5.628 1.00 54.14 C ATOM 765 OG SER A 49 5.421 -11.041 6.886 1.00 71.14 O ATOM 0 H SER A 49 3.439 -11.475 5.313 1.00 32.42 H new ATOM 0 HA SER A 49 5.432 -10.851 3.534 1.00 53.22 H new ATOM 0 HB2 SER A 49 6.737 -10.150 5.580 1.00 54.14 H new ATOM 0 HB3 SER A 49 5.098 -9.535 5.522 1.00 54.14 H new ATOM 0 HG SER A 49 4.460 -11.217 6.966 1.00 71.14 H new ATOM 771 N GLU A 50 6.243 -13.543 5.244 1.00 63.12 N ATOM 772 CA GLU A 50 7.162 -14.671 5.243 1.00 34.14 C ATOM 773 C GLU A 50 7.105 -15.431 3.923 1.00 35.32 C ATOM 774 O GLU A 50 8.131 -15.885 3.415 1.00 35.30 O ATOM 775 CB GLU A 50 6.887 -15.599 6.417 1.00 71.43 C ATOM 776 CG GLU A 50 7.323 -15.025 7.753 1.00 43.43 C ATOM 777 CD GLU A 50 8.802 -14.706 7.790 1.00 55.33 C ATOM 778 OE1 GLU A 50 9.618 -15.654 7.789 1.00 52.51 O ATOM 779 OE2 GLU A 50 9.162 -13.512 7.834 1.00 30.11 O ATOM 0 H GLU A 50 5.490 -13.607 5.929 1.00 63.12 H new ATOM 0 HA GLU A 50 8.171 -14.275 5.354 1.00 34.14 H new ATOM 0 HB2 GLU A 50 5.820 -15.819 6.455 1.00 71.43 H new ATOM 0 HB3 GLU A 50 7.402 -16.545 6.251 1.00 71.43 H new ATOM 0 HG2 GLU A 50 6.754 -14.119 7.959 1.00 43.43 H new ATOM 0 HG3 GLU A 50 7.088 -15.736 8.545 1.00 43.43 H new ATOM 786 N ARG A 51 5.905 -15.564 3.363 1.00 34.41 N ATOM 787 CA ARG A 51 5.716 -16.210 2.071 1.00 11.22 C ATOM 788 C ARG A 51 6.328 -15.333 0.975 1.00 2.03 C ATOM 789 O ARG A 51 6.983 -15.820 0.063 1.00 2.25 O ATOM 790 CB ARG A 51 4.217 -16.424 1.821 1.00 61.15 C ATOM 791 CG ARG A 51 3.870 -17.043 0.478 1.00 15.31 C ATOM 792 CD ARG A 51 2.365 -17.218 0.344 1.00 70.11 C ATOM 793 NE ARG A 51 1.962 -17.601 -1.011 1.00 2.42 N ATOM 794 CZ ARG A 51 0.855 -17.155 -1.620 1.00 11.41 C ATOM 795 NH1 ARG A 51 0.048 -16.295 -1.004 1.00 34.11 N ATOM 796 NH2 ARG A 51 0.553 -17.568 -2.841 1.00 62.41 N ATOM 0 H ARG A 51 5.042 -15.228 3.791 1.00 34.41 H new ATOM 0 HA ARG A 51 6.211 -17.181 2.062 1.00 11.22 H new ATOM 0 HB2 ARG A 51 3.820 -17.062 2.611 1.00 61.15 H new ATOM 0 HB3 ARG A 51 3.710 -15.463 1.902 1.00 61.15 H new ATOM 0 HG2 ARG A 51 4.241 -16.410 -0.328 1.00 15.31 H new ATOM 0 HG3 ARG A 51 4.365 -18.009 0.378 1.00 15.31 H new ATOM 0 HD2 ARG A 51 2.027 -17.978 1.048 1.00 70.11 H new ATOM 0 HD3 ARG A 51 1.869 -16.287 0.617 1.00 70.11 H new ATOM 0 HE ARG A 51 2.562 -18.248 -1.523 1.00 2.42 H new ATOM 0 HH11 ARG A 51 0.271 -15.971 -0.063 1.00 34.11 H new ATOM 0 HH12 ARG A 51 -0.793 -15.959 -1.473 1.00 34.11 H new ATOM 0 HH21 ARG A 51 1.164 -18.228 -3.322 1.00 62.41 H new ATOM 0 HH22 ARG A 51 -0.291 -17.226 -3.301 1.00 62.41 H new ATOM 810 N TRP A 52 6.100 -14.059 1.094 1.00 14.51 N ATOM 811 CA TRP A 52 6.667 -13.062 0.188 1.00 62.15 C ATOM 812 C TRP A 52 8.192 -13.169 0.169 1.00 42.23 C ATOM 813 O TRP A 52 8.809 -13.240 -0.893 1.00 71.21 O ATOM 814 CB TRP A 52 6.233 -11.648 0.618 1.00 40.42 C ATOM 815 CG TRP A 52 6.949 -10.536 -0.098 1.00 51.44 C ATOM 816 CD1 TRP A 52 7.999 -9.802 0.377 1.00 51.22 C ATOM 817 CD2 TRP A 52 6.672 -10.032 -1.410 1.00 45.04 C ATOM 818 NE1 TRP A 52 8.386 -8.876 -0.557 1.00 22.11 N ATOM 819 CE2 TRP A 52 7.591 -8.996 -1.660 1.00 2.24 C ATOM 820 CE3 TRP A 52 5.740 -10.355 -2.395 1.00 72.01 C ATOM 821 CZ2 TRP A 52 7.602 -8.283 -2.855 1.00 51.05 C ATOM 822 CZ3 TRP A 52 5.752 -9.647 -3.579 1.00 21.44 C ATOM 823 CH2 TRP A 52 6.677 -8.624 -3.800 1.00 1.32 C ATOM 0 H TRP A 52 5.511 -13.662 1.826 1.00 14.51 H new ATOM 0 HA TRP A 52 6.295 -13.250 -0.819 1.00 62.15 H new ATOM 0 HB2 TRP A 52 5.161 -11.542 0.449 1.00 40.42 H new ATOM 0 HB3 TRP A 52 6.399 -11.540 1.690 1.00 40.42 H new ATOM 0 HD1 TRP A 52 8.457 -9.932 1.346 1.00 51.22 H new ATOM 0 HE1 TRP A 52 9.146 -8.205 -0.446 1.00 22.11 H new ATOM 0 HE3 TRP A 52 5.022 -11.145 -2.234 1.00 72.01 H new ATOM 0 HZ2 TRP A 52 8.315 -7.490 -3.028 1.00 51.05 H new ATOM 0 HZ3 TRP A 52 5.034 -9.888 -4.349 1.00 21.44 H new ATOM 0 HH2 TRP A 52 6.660 -8.091 -4.739 1.00 1.32 H new ATOM 834 N LYS A 53 8.782 -13.200 1.353 1.00 61.31 N ATOM 835 CA LYS A 53 10.229 -13.300 1.506 1.00 21.11 C ATOM 836 C LYS A 53 10.763 -14.626 0.964 1.00 74.41 C ATOM 837 O LYS A 53 11.919 -14.712 0.553 1.00 63.31 O ATOM 838 CB LYS A 53 10.610 -13.138 2.977 1.00 41.42 C ATOM 839 CG LYS A 53 10.391 -11.729 3.516 1.00 54.33 C ATOM 840 CD LYS A 53 10.331 -11.711 5.038 1.00 72.31 C ATOM 841 CE LYS A 53 11.589 -12.287 5.669 1.00 40.02 C ATOM 842 NZ LYS A 53 11.484 -12.336 7.146 1.00 61.42 N ATOM 0 H LYS A 53 8.274 -13.157 2.236 1.00 61.31 H new ATOM 0 HA LYS A 53 10.684 -12.499 0.924 1.00 21.11 H new ATOM 0 HB2 LYS A 53 10.027 -13.840 3.573 1.00 41.42 H new ATOM 0 HB3 LYS A 53 11.659 -13.407 3.103 1.00 41.42 H new ATOM 0 HG2 LYS A 53 11.198 -11.080 3.176 1.00 54.33 H new ATOM 0 HG3 LYS A 53 9.464 -11.324 3.110 1.00 54.33 H new ATOM 0 HD2 LYS A 53 10.190 -10.686 5.382 1.00 72.31 H new ATOM 0 HD3 LYS A 53 9.465 -12.282 5.373 1.00 72.31 H new ATOM 0 HE2 LYS A 53 11.764 -13.291 5.282 1.00 40.02 H new ATOM 0 HE3 LYS A 53 12.450 -11.682 5.385 1.00 40.02 H new ATOM 0 HZ1 LYS A 53 12.074 -13.111 7.510 1.00 61.42 H new ATOM 0 HZ2 LYS A 53 11.811 -11.434 7.547 1.00 61.42 H new ATOM 0 HZ3 LYS A 53 10.493 -12.497 7.418 1.00 61.42 H new ATOM 856 N THR A 54 9.921 -15.647 0.953 1.00 73.31 N ATOM 857 CA THR A 54 10.332 -16.948 0.465 1.00 35.32 C ATOM 858 C THR A 54 10.003 -17.136 -1.021 1.00 63.54 C ATOM 859 O THR A 54 10.190 -18.222 -1.578 1.00 30.21 O ATOM 860 CB THR A 54 9.731 -18.097 1.304 1.00 74.13 C ATOM 861 OG1 THR A 54 8.352 -17.836 1.588 1.00 1.03 O ATOM 862 CG2 THR A 54 10.493 -18.266 2.609 1.00 32.34 C ATOM 0 H THR A 54 8.954 -15.598 1.275 1.00 73.31 H new ATOM 0 HA THR A 54 11.416 -16.986 0.574 1.00 35.32 H new ATOM 0 HB THR A 54 9.813 -19.017 0.725 1.00 74.13 H new ATOM 0 HG1 THR A 54 8.283 -17.282 2.393 1.00 1.03 H new ATOM 0 HG21 THR A 54 10.053 -19.081 3.184 1.00 32.34 H new ATOM 0 HG22 THR A 54 11.536 -18.496 2.394 1.00 32.34 H new ATOM 0 HG23 THR A 54 10.436 -17.343 3.186 1.00 32.34 H new ATOM 870 N MET A 55 9.514 -16.080 -1.664 1.00 74.43 N ATOM 871 CA MET A 55 9.264 -16.118 -3.099 1.00 72.50 C ATOM 872 C MET A 55 10.462 -15.558 -3.827 1.00 2.32 C ATOM 873 O MET A 55 11.069 -14.588 -3.373 1.00 51.11 O ATOM 874 CB MET A 55 8.011 -15.331 -3.489 1.00 41.12 C ATOM 875 CG MET A 55 6.709 -15.950 -3.024 1.00 42.41 C ATOM 876 SD MET A 55 5.282 -15.320 -3.939 1.00 62.14 S ATOM 877 CE MET A 55 5.512 -13.552 -3.764 1.00 62.04 C ATOM 0 H MET A 55 9.284 -15.193 -1.216 1.00 74.43 H new ATOM 0 HA MET A 55 9.097 -17.157 -3.382 1.00 72.50 H new ATOM 0 HB2 MET A 55 8.087 -14.324 -3.078 1.00 41.12 H new ATOM 0 HB3 MET A 55 7.984 -15.231 -4.574 1.00 41.12 H new ATOM 0 HG2 MET A 55 6.763 -17.033 -3.140 1.00 42.41 H new ATOM 0 HG3 MET A 55 6.573 -15.749 -1.961 1.00 42.41 H new ATOM 0 HE1 MET A 55 4.726 -13.027 -4.308 1.00 62.04 H new ATOM 0 HE2 MET A 55 5.466 -13.282 -2.709 1.00 62.04 H new ATOM 0 HE3 MET A 55 6.484 -13.270 -4.169 1.00 62.04 H new ATOM 887 N SER A 56 10.827 -16.176 -4.926 1.00 5.54 N ATOM 888 CA SER A 56 11.982 -15.746 -5.681 1.00 0.45 C ATOM 889 C SER A 56 11.748 -14.382 -6.323 1.00 55.53 C ATOM 890 O SER A 56 10.606 -13.918 -6.438 1.00 40.11 O ATOM 891 CB SER A 56 12.310 -16.772 -6.758 1.00 23.42 C ATOM 892 OG SER A 56 11.184 -17.009 -7.588 1.00 0.43 O ATOM 0 H SER A 56 10.339 -16.981 -5.319 1.00 5.54 H new ATOM 0 HA SER A 56 12.822 -15.658 -4.991 1.00 0.45 H new ATOM 0 HB2 SER A 56 13.145 -16.417 -7.363 1.00 23.42 H new ATOM 0 HB3 SER A 56 12.627 -17.705 -6.293 1.00 23.42 H new ATOM 0 HG SER A 56 11.416 -17.669 -8.274 1.00 0.43 H new ATOM 898 N ALA A 57 12.843 -13.746 -6.725 1.00 13.44 N ATOM 899 CA ALA A 57 12.762 -12.459 -7.415 1.00 11.53 C ATOM 900 C ALA A 57 11.837 -12.546 -8.638 1.00 51.43 C ATOM 901 O ALA A 57 11.183 -11.573 -9.004 1.00 73.12 O ATOM 902 CB ALA A 57 14.148 -11.992 -7.828 1.00 23.22 C ATOM 0 H ALA A 57 13.791 -14.095 -6.588 1.00 13.44 H new ATOM 0 HA ALA A 57 12.339 -11.730 -6.724 1.00 11.53 H new ATOM 0 HB1 ALA A 57 14.071 -11.033 -8.340 1.00 23.22 H new ATOM 0 HB2 ALA A 57 14.774 -11.881 -6.942 1.00 23.22 H new ATOM 0 HB3 ALA A 57 14.595 -12.726 -8.498 1.00 23.22 H new ATOM 908 N LYS A 58 11.787 -13.727 -9.251 1.00 72.13 N ATOM 909 CA LYS A 58 10.929 -13.966 -10.410 1.00 21.05 C ATOM 910 C LYS A 58 9.454 -13.968 -10.009 1.00 11.13 C ATOM 911 O LYS A 58 8.607 -13.422 -10.718 1.00 33.13 O ATOM 912 CB LYS A 58 11.286 -15.292 -11.099 1.00 15.42 C ATOM 913 CG LYS A 58 12.521 -15.232 -11.997 1.00 64.41 C ATOM 914 CD LYS A 58 13.802 -15.012 -11.206 1.00 52.02 C ATOM 915 CE LYS A 58 15.003 -14.877 -12.128 1.00 75.23 C ATOM 916 NZ LYS A 58 14.909 -13.676 -12.992 1.00 53.00 N ATOM 0 H LYS A 58 12.334 -14.538 -8.962 1.00 72.13 H new ATOM 0 HA LYS A 58 11.098 -13.152 -11.115 1.00 21.05 H new ATOM 0 HB2 LYS A 58 11.446 -16.052 -10.334 1.00 15.42 H new ATOM 0 HB3 LYS A 58 10.434 -15.616 -11.697 1.00 15.42 H new ATOM 0 HG2 LYS A 58 12.601 -16.160 -12.563 1.00 64.41 H new ATOM 0 HG3 LYS A 58 12.401 -14.426 -12.722 1.00 64.41 H new ATOM 0 HD2 LYS A 58 13.706 -14.114 -10.596 1.00 52.02 H new ATOM 0 HD3 LYS A 58 13.958 -15.846 -10.522 1.00 52.02 H new ATOM 0 HE2 LYS A 58 15.914 -14.824 -11.531 1.00 75.23 H new ATOM 0 HE3 LYS A 58 15.082 -15.767 -12.752 1.00 75.23 H new ATOM 0 HZ1 LYS A 58 15.839 -13.478 -13.414 1.00 53.00 H new ATOM 0 HZ2 LYS A 58 14.215 -13.846 -13.748 1.00 53.00 H new ATOM 0 HZ3 LYS A 58 14.607 -12.861 -12.421 1.00 53.00 H new ATOM 930 N GLU A 59 9.157 -14.572 -8.866 1.00 21.24 N ATOM 931 CA GLU A 59 7.788 -14.642 -8.356 1.00 20.10 C ATOM 932 C GLU A 59 7.288 -13.264 -7.942 1.00 24.05 C ATOM 933 O GLU A 59 6.092 -12.977 -8.005 1.00 52.03 O ATOM 934 CB GLU A 59 7.717 -15.598 -7.170 1.00 22.14 C ATOM 935 CG GLU A 59 7.882 -17.058 -7.544 1.00 72.23 C ATOM 936 CD GLU A 59 6.743 -17.560 -8.397 1.00 44.21 C ATOM 937 OE1 GLU A 59 5.701 -17.944 -7.827 1.00 15.34 O ATOM 938 OE2 GLU A 59 6.880 -17.571 -9.637 1.00 33.34 O ATOM 0 H GLU A 59 9.849 -15.024 -8.269 1.00 21.24 H new ATOM 0 HA GLU A 59 7.147 -15.014 -9.156 1.00 20.10 H new ATOM 0 HB2 GLU A 59 8.491 -15.328 -6.452 1.00 22.14 H new ATOM 0 HB3 GLU A 59 6.758 -15.468 -6.669 1.00 22.14 H new ATOM 0 HG2 GLU A 59 8.821 -17.190 -8.081 1.00 72.23 H new ATOM 0 HG3 GLU A 59 7.946 -17.659 -6.637 1.00 72.23 H new ATOM 945 N LYS A 60 8.210 -12.420 -7.520 1.00 30.22 N ATOM 946 CA LYS A 60 7.886 -11.067 -7.101 1.00 15.03 C ATOM 947 C LYS A 60 7.738 -10.136 -8.298 1.00 2.23 C ATOM 948 O LYS A 60 7.197 -9.045 -8.169 1.00 62.54 O ATOM 949 CB LYS A 60 8.974 -10.531 -6.177 1.00 51.45 C ATOM 950 CG LYS A 60 9.155 -11.322 -4.899 1.00 61.33 C ATOM 951 CD LYS A 60 10.307 -10.770 -4.084 1.00 62.02 C ATOM 952 CE LYS A 60 10.478 -11.524 -2.782 1.00 4.32 C ATOM 953 NZ LYS A 60 11.646 -11.038 -2.016 1.00 71.04 N ATOM 0 H LYS A 60 9.202 -12.650 -7.457 1.00 30.22 H new ATOM 0 HA LYS A 60 6.934 -11.103 -6.571 1.00 15.03 H new ATOM 0 HB2 LYS A 60 9.920 -10.518 -6.719 1.00 51.45 H new ATOM 0 HB3 LYS A 60 8.739 -9.498 -5.920 1.00 51.45 H new ATOM 0 HG2 LYS A 60 8.238 -11.287 -4.311 1.00 61.33 H new ATOM 0 HG3 LYS A 60 9.341 -12.369 -5.137 1.00 61.33 H new ATOM 0 HD2 LYS A 60 11.227 -10.832 -4.665 1.00 62.02 H new ATOM 0 HD3 LYS A 60 10.133 -9.715 -3.874 1.00 62.02 H new ATOM 0 HE2 LYS A 60 9.577 -11.416 -2.178 1.00 4.32 H new ATOM 0 HE3 LYS A 60 10.597 -12.587 -2.990 1.00 4.32 H new ATOM 0 HZ1 LYS A 60 11.730 -11.578 -1.131 1.00 71.04 H new ATOM 0 HZ2 LYS A 60 12.509 -11.164 -2.582 1.00 71.04 H new ATOM 0 HZ3 LYS A 60 11.521 -10.029 -1.795 1.00 71.04 H new ATOM 967 N GLY A 61 8.199 -10.594 -9.463 1.00 21.32 N ATOM 968 CA GLY A 61 8.191 -9.776 -10.674 1.00 41.01 C ATOM 969 C GLY A 61 6.862 -9.095 -10.958 1.00 2.22 C ATOM 970 O GLY A 61 6.827 -7.902 -11.267 1.00 11.05 O ATOM 0 H GLY A 61 8.583 -11.530 -9.592 1.00 21.32 H new ATOM 0 HA2 GLY A 61 8.966 -9.014 -10.589 1.00 41.01 H new ATOM 0 HA3 GLY A 61 8.453 -10.404 -11.525 1.00 41.01 H new ATOM 974 N LYS A 62 5.775 -9.843 -10.844 1.00 12.21 N ATOM 975 CA LYS A 62 4.443 -9.309 -11.104 1.00 24.14 C ATOM 976 C LYS A 62 4.071 -8.235 -10.080 1.00 52.23 C ATOM 977 O LYS A 62 3.648 -7.128 -10.439 1.00 22.32 O ATOM 978 CB LYS A 62 3.408 -10.433 -11.058 1.00 34.50 C ATOM 979 CG LYS A 62 2.009 -10.000 -11.465 1.00 61.02 C ATOM 980 CD LYS A 62 0.994 -11.096 -11.202 1.00 13.00 C ATOM 981 CE LYS A 62 -0.362 -10.753 -11.799 1.00 14.44 C ATOM 982 NZ LYS A 62 -0.326 -10.729 -13.285 1.00 61.22 N ATOM 0 H LYS A 62 5.788 -10.826 -10.572 1.00 12.21 H new ATOM 0 HA LYS A 62 4.451 -8.858 -12.096 1.00 24.14 H new ATOM 0 HB2 LYS A 62 3.733 -11.240 -11.715 1.00 34.50 H new ATOM 0 HB3 LYS A 62 3.372 -10.839 -10.047 1.00 34.50 H new ATOM 0 HG2 LYS A 62 1.729 -9.102 -10.914 1.00 61.02 H new ATOM 0 HG3 LYS A 62 2.000 -9.740 -12.523 1.00 61.02 H new ATOM 0 HD2 LYS A 62 1.352 -12.035 -11.625 1.00 13.00 H new ATOM 0 HD3 LYS A 62 0.892 -11.249 -10.128 1.00 13.00 H new ATOM 0 HE2 LYS A 62 -1.100 -11.483 -11.466 1.00 14.44 H new ATOM 0 HE3 LYS A 62 -0.686 -9.780 -11.428 1.00 14.44 H new ATOM 0 HZ1 LYS A 62 -1.296 -10.780 -13.657 1.00 61.22 H new ATOM 0 HZ2 LYS A 62 0.122 -9.848 -13.607 1.00 61.22 H new ATOM 0 HZ3 LYS A 62 0.221 -11.543 -13.632 1.00 61.22 H new ATOM 996 N PHE A 63 4.243 -8.566 -8.812 1.00 63.11 N ATOM 997 CA PHE A 63 3.874 -7.675 -7.721 1.00 54.05 C ATOM 998 C PHE A 63 4.744 -6.428 -7.707 1.00 44.34 C ATOM 999 O PHE A 63 4.250 -5.317 -7.501 1.00 4.42 O ATOM 1000 CB PHE A 63 3.980 -8.402 -6.381 1.00 11.54 C ATOM 1001 CG PHE A 63 3.142 -9.650 -6.300 1.00 3.23 C ATOM 1002 CD1 PHE A 63 1.795 -9.578 -5.986 1.00 43.44 C ATOM 1003 CD2 PHE A 63 3.704 -10.895 -6.535 1.00 71.44 C ATOM 1004 CE1 PHE A 63 1.024 -10.721 -5.911 1.00 33.41 C ATOM 1005 CE2 PHE A 63 2.938 -12.043 -6.461 1.00 1.25 C ATOM 1006 CZ PHE A 63 1.596 -11.956 -6.148 1.00 23.13 C ATOM 0 H PHE A 63 4.640 -9.455 -8.509 1.00 63.11 H new ATOM 0 HA PHE A 63 2.841 -7.366 -7.879 1.00 54.05 H new ATOM 0 HB2 PHE A 63 5.023 -8.663 -6.201 1.00 11.54 H new ATOM 0 HB3 PHE A 63 3.680 -7.722 -5.584 1.00 11.54 H new ATOM 0 HD1 PHE A 63 1.342 -8.616 -5.797 1.00 43.44 H new ATOM 0 HD2 PHE A 63 4.753 -10.969 -6.779 1.00 71.44 H new ATOM 0 HE1 PHE A 63 -0.026 -10.650 -5.667 1.00 33.41 H new ATOM 0 HE2 PHE A 63 3.388 -13.007 -6.648 1.00 1.25 H new ATOM 0 HZ PHE A 63 0.995 -12.851 -6.089 1.00 23.13 H new ATOM 1016 N GLU A 64 6.034 -6.611 -7.949 1.00 14.12 N ATOM 1017 CA GLU A 64 6.975 -5.510 -7.934 1.00 52.12 C ATOM 1018 C GLU A 64 6.789 -4.581 -9.116 1.00 42.34 C ATOM 1019 O GLU A 64 7.239 -3.438 -9.075 1.00 71.44 O ATOM 1020 CB GLU A 64 8.420 -6.002 -7.900 1.00 50.20 C ATOM 1021 CG GLU A 64 8.796 -6.753 -6.638 1.00 61.22 C ATOM 1022 CD GLU A 64 10.284 -7.002 -6.546 1.00 63.44 C ATOM 1023 OE1 GLU A 64 10.825 -7.739 -7.395 1.00 73.05 O ATOM 1024 OE2 GLU A 64 10.928 -6.438 -5.636 1.00 41.35 O ATOM 0 H GLU A 64 6.451 -7.518 -8.159 1.00 14.12 H new ATOM 0 HA GLU A 64 6.768 -4.952 -7.021 1.00 52.12 H new ATOM 0 HB2 GLU A 64 8.590 -6.651 -8.759 1.00 50.20 H new ATOM 0 HB3 GLU A 64 9.085 -5.146 -8.011 1.00 50.20 H new ATOM 0 HG2 GLU A 64 8.470 -6.184 -5.767 1.00 61.22 H new ATOM 0 HG3 GLU A 64 8.267 -7.706 -6.613 1.00 61.22 H new ATOM 1031 N ASP A 65 6.110 -5.033 -10.172 1.00 2.51 N ATOM 1032 CA ASP A 65 5.938 -4.191 -11.341 1.00 62.13 C ATOM 1033 C ASP A 65 4.687 -3.363 -11.181 1.00 35.25 C ATOM 1034 O ASP A 65 4.674 -2.169 -11.477 1.00 50.20 O ATOM 1035 CB ASP A 65 5.861 -5.025 -12.617 1.00 13.42 C ATOM 1036 CG ASP A 65 5.978 -4.171 -13.861 1.00 20.50 C ATOM 1037 OD1 ASP A 65 7.117 -3.821 -14.236 1.00 53.21 O ATOM 1038 OD2 ASP A 65 4.938 -3.837 -14.464 1.00 52.42 O ATOM 0 H ASP A 65 5.682 -5.957 -10.236 1.00 2.51 H new ATOM 0 HA ASP A 65 6.803 -3.534 -11.427 1.00 62.13 H new ATOM 0 HB2 ASP A 65 6.657 -5.769 -12.612 1.00 13.42 H new ATOM 0 HB3 ASP A 65 4.917 -5.569 -12.638 1.00 13.42 H new ATOM 1043 N MET A 66 3.621 -4.010 -10.723 1.00 30.11 N ATOM 1044 CA MET A 66 2.383 -3.306 -10.405 1.00 35.15 C ATOM 1045 C MET A 66 2.642 -2.240 -9.344 1.00 34.35 C ATOM 1046 O MET A 66 1.974 -1.207 -9.310 1.00 41.22 O ATOM 1047 CB MET A 66 1.306 -4.282 -9.920 1.00 63.21 C ATOM 1048 CG MET A 66 0.877 -5.298 -10.967 1.00 62.00 C ATOM 1049 SD MET A 66 -0.462 -6.371 -10.397 1.00 42.12 S ATOM 1050 CE MET A 66 0.299 -7.152 -8.974 1.00 52.25 C ATOM 0 H MET A 66 3.588 -5.017 -10.564 1.00 30.11 H new ATOM 0 HA MET A 66 2.022 -2.824 -11.314 1.00 35.15 H new ATOM 0 HB2 MET A 66 1.679 -4.813 -9.044 1.00 63.21 H new ATOM 0 HB3 MET A 66 0.432 -3.714 -9.600 1.00 63.21 H new ATOM 0 HG2 MET A 66 0.557 -4.772 -11.867 1.00 62.00 H new ATOM 0 HG3 MET A 66 1.735 -5.911 -11.244 1.00 62.00 H new ATOM 0 HE1 MET A 66 -0.343 -7.955 -8.613 1.00 52.25 H new ATOM 0 HE2 MET A 66 1.268 -7.562 -9.259 1.00 52.25 H new ATOM 0 HE3 MET A 66 0.436 -6.414 -8.184 1.00 52.25 H new ATOM 1060 N ALA A 67 3.631 -2.498 -8.489 1.00 74.13 N ATOM 1061 CA ALA A 67 4.027 -1.551 -7.460 1.00 23.44 C ATOM 1062 C ALA A 67 4.626 -0.293 -8.085 1.00 41.04 C ATOM 1063 O ALA A 67 4.514 0.796 -7.536 1.00 34.14 O ATOM 1064 CB ALA A 67 5.011 -2.195 -6.499 1.00 30.45 C ATOM 0 H ALA A 67 4.173 -3.362 -8.493 1.00 74.13 H new ATOM 0 HA ALA A 67 3.139 -1.260 -6.899 1.00 23.44 H new ATOM 0 HB1 ALA A 67 5.298 -1.473 -5.734 1.00 30.45 H new ATOM 0 HB2 ALA A 67 4.545 -3.059 -6.026 1.00 30.45 H new ATOM 0 HB3 ALA A 67 5.897 -2.516 -7.046 1.00 30.45 H new ATOM 1070 N LYS A 68 5.255 -0.453 -9.246 1.00 61.14 N ATOM 1071 CA LYS A 68 5.829 0.679 -9.973 1.00 60.43 C ATOM 1072 C LYS A 68 4.703 1.548 -10.509 1.00 43.10 C ATOM 1073 O LYS A 68 4.805 2.766 -10.553 1.00 45.23 O ATOM 1074 CB LYS A 68 6.679 0.191 -11.152 1.00 42.33 C ATOM 1075 CG LYS A 68 7.724 -0.845 -10.792 1.00 42.31 C ATOM 1076 CD LYS A 68 8.275 -1.511 -12.041 1.00 24.53 C ATOM 1077 CE LYS A 68 9.177 -2.687 -11.702 1.00 53.04 C ATOM 1078 NZ LYS A 68 9.509 -3.489 -12.909 1.00 53.33 N ATOM 0 H LYS A 68 5.381 -1.355 -9.705 1.00 61.14 H new ATOM 0 HA LYS A 68 6.461 1.247 -9.291 1.00 60.43 H new ATOM 0 HB2 LYS A 68 6.018 -0.228 -11.910 1.00 42.33 H new ATOM 0 HB3 LYS A 68 7.178 1.049 -11.603 1.00 42.33 H new ATOM 0 HG2 LYS A 68 8.535 -0.373 -10.238 1.00 42.31 H new ATOM 0 HG3 LYS A 68 7.286 -1.597 -10.136 1.00 42.31 H new ATOM 0 HD2 LYS A 68 7.449 -1.854 -12.664 1.00 24.53 H new ATOM 0 HD3 LYS A 68 8.834 -0.781 -12.626 1.00 24.53 H new ATOM 0 HE2 LYS A 68 10.096 -2.321 -11.244 1.00 53.04 H new ATOM 0 HE3 LYS A 68 8.685 -3.323 -10.966 1.00 53.04 H new ATOM 0 HZ1 LYS A 68 10.025 -4.346 -12.625 1.00 53.33 H new ATOM 0 HZ2 LYS A 68 8.632 -3.759 -13.398 1.00 53.33 H new ATOM 0 HZ3 LYS A 68 10.103 -2.924 -13.549 1.00 53.33 H new ATOM 1092 N ALA A 69 3.617 0.892 -10.895 1.00 25.14 N ATOM 1093 CA ALA A 69 2.456 1.568 -11.451 1.00 51.13 C ATOM 1094 C ALA A 69 1.661 2.279 -10.364 1.00 73.11 C ATOM 1095 O ALA A 69 0.769 3.078 -10.652 1.00 53.32 O ATOM 1096 CB ALA A 69 1.572 0.575 -12.195 1.00 31.25 C ATOM 0 H ALA A 69 3.517 -0.121 -10.831 1.00 25.14 H new ATOM 0 HA ALA A 69 2.808 2.321 -12.156 1.00 51.13 H new ATOM 0 HB1 ALA A 69 0.707 1.095 -12.606 1.00 31.25 H new ATOM 0 HB2 ALA A 69 2.140 0.119 -13.006 1.00 31.25 H new ATOM 0 HB3 ALA A 69 1.236 -0.200 -11.506 1.00 31.25 H new ATOM 1102 N ASP A 70 1.989 1.991 -9.110 1.00 5.01 N ATOM 1103 CA ASP A 70 1.306 2.617 -7.986 1.00 60.40 C ATOM 1104 C ASP A 70 1.737 4.078 -7.857 1.00 55.33 C ATOM 1105 O ASP A 70 1.130 4.858 -7.150 1.00 44.54 O ATOM 1106 CB ASP A 70 1.579 1.850 -6.683 1.00 60.14 C ATOM 1107 CG ASP A 70 0.614 2.216 -5.558 1.00 62.22 C ATOM 1108 OD1 ASP A 70 -0.465 1.592 -5.474 1.00 70.53 O ATOM 1109 OD2 ASP A 70 0.928 3.113 -4.757 1.00 55.45 O ATOM 0 H ASP A 70 2.721 1.331 -8.847 1.00 5.01 H new ATOM 0 HA ASP A 70 0.232 2.586 -8.172 1.00 60.40 H new ATOM 0 HB2 ASP A 70 1.511 0.780 -6.878 1.00 60.14 H new ATOM 0 HB3 ASP A 70 2.600 2.051 -6.358 1.00 60.14 H new ATOM 1114 N LYS A 71 2.794 4.452 -8.559 1.00 53.31 N ATOM 1115 CA LYS A 71 3.224 5.838 -8.551 1.00 13.12 C ATOM 1116 C LYS A 71 2.222 6.701 -9.323 1.00 53.13 C ATOM 1117 O LYS A 71 2.102 7.901 -9.079 1.00 25.21 O ATOM 1118 CB LYS A 71 4.632 5.998 -9.142 1.00 74.34 C ATOM 1119 CG LYS A 71 4.705 5.843 -10.654 1.00 41.30 C ATOM 1120 CD LYS A 71 6.112 6.108 -11.165 1.00 23.44 C ATOM 1121 CE LYS A 71 6.188 5.986 -12.679 1.00 40.02 C ATOM 1122 NZ LYS A 71 5.317 6.976 -13.366 1.00 24.13 N ATOM 0 H LYS A 71 3.361 3.827 -9.132 1.00 53.31 H new ATOM 0 HA LYS A 71 3.263 6.171 -7.514 1.00 13.12 H new ATOM 0 HB2 LYS A 71 5.016 6.982 -8.872 1.00 74.34 H new ATOM 0 HB3 LYS A 71 5.291 5.261 -8.682 1.00 74.34 H new ATOM 0 HG2 LYS A 71 4.397 4.836 -10.935 1.00 41.30 H new ATOM 0 HG3 LYS A 71 4.007 6.533 -11.127 1.00 41.30 H new ATOM 0 HD2 LYS A 71 6.428 7.107 -10.863 1.00 23.44 H new ATOM 0 HD3 LYS A 71 6.805 5.403 -10.707 1.00 23.44 H new ATOM 0 HE2 LYS A 71 7.220 6.126 -13.002 1.00 40.02 H new ATOM 0 HE3 LYS A 71 5.895 4.979 -12.976 1.00 40.02 H new ATOM 0 HZ1 LYS A 71 4.605 6.476 -13.935 1.00 24.13 H new ATOM 0 HZ2 LYS A 71 4.840 7.569 -12.657 1.00 24.13 H new ATOM 0 HZ3 LYS A 71 5.896 7.576 -13.987 1.00 24.13 H new ATOM 1136 N ALA A 72 1.471 6.061 -10.226 1.00 55.04 N ATOM 1137 CA ALA A 72 0.489 6.752 -11.061 1.00 13.32 C ATOM 1138 C ALA A 72 -0.696 7.261 -10.243 1.00 21.24 C ATOM 1139 O ALA A 72 -1.496 8.055 -10.732 1.00 13.43 O ATOM 1140 CB ALA A 72 0.009 5.838 -12.177 1.00 34.51 C ATOM 0 H ALA A 72 1.528 5.057 -10.396 1.00 55.04 H new ATOM 0 HA ALA A 72 0.982 7.620 -11.498 1.00 13.32 H new ATOM 0 HB1 ALA A 72 -0.721 6.365 -12.790 1.00 34.51 H new ATOM 0 HB2 ALA A 72 0.857 5.543 -12.795 1.00 34.51 H new ATOM 0 HB3 ALA A 72 -0.453 4.950 -11.746 1.00 34.51 H new ATOM 1146 N ARG A 73 -0.800 6.816 -8.996 1.00 65.33 N ATOM 1147 CA ARG A 73 -1.877 7.270 -8.127 1.00 62.32 C ATOM 1148 C ARG A 73 -1.352 8.335 -7.177 1.00 41.31 C ATOM 1149 O ARG A 73 -2.101 8.965 -6.452 1.00 10.22 O ATOM 1150 CB ARG A 73 -2.575 6.103 -7.388 1.00 73.31 C ATOM 1151 CG ARG A 73 -1.646 5.129 -6.687 1.00 51.03 C ATOM 1152 CD ARG A 73 -1.228 5.610 -5.306 1.00 33.34 C ATOM 1153 NE ARG A 73 -2.321 5.505 -4.348 1.00 23.33 N ATOM 1154 CZ ARG A 73 -2.417 4.547 -3.425 1.00 35.41 C ATOM 1155 NH1 ARG A 73 -1.478 3.600 -3.333 1.00 43.11 N ATOM 1156 NH2 ARG A 73 -3.462 4.526 -2.602 1.00 11.41 N ATOM 0 H ARG A 73 -0.159 6.148 -8.568 1.00 65.33 H new ATOM 0 HA ARG A 73 -2.654 7.718 -8.747 1.00 62.32 H new ATOM 0 HB2 ARG A 73 -3.260 6.520 -6.650 1.00 73.31 H new ATOM 0 HB3 ARG A 73 -3.179 5.549 -8.107 1.00 73.31 H new ATOM 0 HG2 ARG A 73 -2.141 4.162 -6.596 1.00 51.03 H new ATOM 0 HG3 ARG A 73 -0.757 4.976 -7.299 1.00 51.03 H new ATOM 0 HD2 ARG A 73 -0.379 5.022 -4.957 1.00 33.34 H new ATOM 0 HD3 ARG A 73 -0.895 6.646 -5.366 1.00 33.34 H new ATOM 0 HE ARG A 73 -3.059 6.208 -4.386 1.00 23.33 H new ATOM 0 HH11 ARG A 73 -0.682 3.607 -3.971 1.00 43.11 H new ATOM 0 HH12 ARG A 73 -1.557 2.870 -2.625 1.00 43.11 H new ATOM 0 HH21 ARG A 73 -4.186 5.241 -2.678 1.00 11.41 H new ATOM 0 HH22 ARG A 73 -3.539 3.795 -1.895 1.00 11.41 H new ATOM 1170 N TYR A 74 -0.036 8.508 -7.198 1.00 3.55 N ATOM 1171 CA TYR A 74 0.649 9.497 -6.382 1.00 35.14 C ATOM 1172 C TYR A 74 0.903 10.765 -7.190 1.00 53.13 C ATOM 1173 O TYR A 74 0.543 11.868 -6.770 1.00 21.44 O ATOM 1174 CB TYR A 74 1.982 8.918 -5.871 1.00 62.14 C ATOM 1175 CG TYR A 74 3.017 9.960 -5.483 1.00 73.42 C ATOM 1176 CD1 TYR A 74 2.886 10.707 -4.322 1.00 75.41 C ATOM 1177 CD2 TYR A 74 4.127 10.194 -6.289 1.00 13.41 C ATOM 1178 CE1 TYR A 74 3.829 11.656 -3.974 1.00 54.21 C ATOM 1179 CE2 TYR A 74 5.073 11.138 -5.948 1.00 0.44 C ATOM 1180 CZ TYR A 74 4.920 11.868 -4.790 1.00 22.00 C ATOM 1181 OH TYR A 74 5.868 12.810 -4.440 1.00 0.43 O ATOM 0 H TYR A 74 0.589 7.959 -7.788 1.00 3.55 H new ATOM 0 HA TYR A 74 0.019 9.749 -5.529 1.00 35.14 H new ATOM 0 HB2 TYR A 74 1.781 8.286 -5.006 1.00 62.14 H new ATOM 0 HB3 TYR A 74 2.404 8.276 -6.644 1.00 62.14 H new ATOM 0 HD1 TYR A 74 2.033 10.545 -3.679 1.00 75.41 H new ATOM 0 HD2 TYR A 74 4.250 9.626 -7.199 1.00 13.41 H new ATOM 0 HE1 TYR A 74 3.712 12.229 -3.066 1.00 54.21 H new ATOM 0 HE2 TYR A 74 5.929 11.304 -6.585 1.00 0.44 H new ATOM 0 HH TYR A 74 5.520 13.708 -4.623 1.00 0.43 H new ATOM 1191 N GLU A 75 1.531 10.585 -8.351 1.00 34.33 N ATOM 1192 CA GLU A 75 1.874 11.690 -9.241 1.00 43.42 C ATOM 1193 C GLU A 75 0.670 12.590 -9.495 1.00 24.35 C ATOM 1194 O GLU A 75 0.669 13.758 -9.099 1.00 2.11 O ATOM 1195 CB GLU A 75 2.427 11.157 -10.563 1.00 65.44 C ATOM 1196 CG GLU A 75 3.661 10.278 -10.404 1.00 24.11 C ATOM 1197 CD GLU A 75 4.223 9.814 -11.730 1.00 74.45 C ATOM 1198 OE1 GLU A 75 3.609 8.942 -12.369 1.00 62.41 O ATOM 1199 OE2 GLU A 75 5.284 10.332 -12.142 1.00 23.01 O ATOM 0 H GLU A 75 1.816 9.670 -8.700 1.00 34.33 H new ATOM 0 HA GLU A 75 2.643 12.288 -8.752 1.00 43.42 H new ATOM 0 HB2 GLU A 75 1.648 10.586 -11.068 1.00 65.44 H new ATOM 0 HB3 GLU A 75 2.673 12.000 -11.209 1.00 65.44 H new ATOM 0 HG2 GLU A 75 4.428 10.831 -9.862 1.00 24.11 H new ATOM 0 HG3 GLU A 75 3.407 9.409 -9.798 1.00 24.11 H new ATOM 1206 N ARG A 76 -0.346 12.043 -10.166 1.00 42.42 N ATOM 1207 CA ARG A 76 -1.593 12.767 -10.462 1.00 21.25 C ATOM 1208 C ARG A 76 -2.173 13.529 -9.256 1.00 22.30 C ATOM 1209 O ARG A 76 -2.805 14.571 -9.429 1.00 62.33 O ATOM 1210 CB ARG A 76 -2.646 11.809 -11.025 1.00 43.34 C ATOM 1211 CG ARG A 76 -3.151 10.777 -10.035 1.00 54.02 C ATOM 1212 CD ARG A 76 -4.189 9.865 -10.668 1.00 2.22 C ATOM 1213 NE ARG A 76 -5.313 10.614 -11.240 1.00 10.01 N ATOM 1214 CZ ARG A 76 -6.527 10.694 -10.684 1.00 12.21 C ATOM 1215 NH1 ARG A 76 -6.759 10.139 -9.500 1.00 24.03 N ATOM 1216 NH2 ARG A 76 -7.501 11.341 -11.308 1.00 31.41 N ATOM 0 H ARG A 76 -0.332 11.087 -10.521 1.00 42.42 H new ATOM 0 HA ARG A 76 -1.331 13.519 -11.206 1.00 21.25 H new ATOM 0 HB2 ARG A 76 -3.493 12.392 -11.386 1.00 43.34 H new ATOM 0 HB3 ARG A 76 -2.224 11.291 -11.887 1.00 43.34 H new ATOM 0 HG2 ARG A 76 -2.315 10.181 -9.670 1.00 54.02 H new ATOM 0 HG3 ARG A 76 -3.585 11.281 -9.171 1.00 54.02 H new ATOM 0 HD2 ARG A 76 -3.718 9.269 -11.449 1.00 2.22 H new ATOM 0 HD3 ARG A 76 -4.564 9.169 -9.918 1.00 2.22 H new ATOM 0 HE ARG A 76 -5.159 11.106 -12.120 1.00 10.01 H new ATOM 0 HH11 ARG A 76 -6.010 9.649 -9.011 1.00 24.03 H new ATOM 0 HH12 ARG A 76 -7.686 10.203 -9.080 1.00 24.03 H new ATOM 0 HH21 ARG A 76 -7.325 11.778 -12.213 1.00 31.41 H new ATOM 0 HH22 ARG A 76 -8.427 11.402 -10.884 1.00 31.41 H new ATOM 1230 N GLU A 77 -1.963 13.021 -8.056 1.00 34.20 N ATOM 1231 CA GLU A 77 -2.498 13.670 -6.869 1.00 4.33 C ATOM 1232 C GLU A 77 -1.679 14.896 -6.497 1.00 5.35 C ATOM 1233 O GLU A 77 -2.231 15.950 -6.190 1.00 74.40 O ATOM 1234 CB GLU A 77 -2.555 12.699 -5.694 1.00 24.31 C ATOM 1235 CG GLU A 77 -3.524 11.551 -5.895 1.00 73.30 C ATOM 1236 CD GLU A 77 -4.922 12.019 -6.215 1.00 2.02 C ATOM 1237 OE1 GLU A 77 -5.541 12.688 -5.363 1.00 24.03 O ATOM 1238 OE2 GLU A 77 -5.411 11.728 -7.323 1.00 71.12 O ATOM 0 H GLU A 77 -1.431 12.169 -7.876 1.00 34.20 H new ATOM 0 HA GLU A 77 -3.513 13.993 -7.101 1.00 4.33 H new ATOM 0 HB2 GLU A 77 -1.558 12.294 -5.521 1.00 24.31 H new ATOM 0 HB3 GLU A 77 -2.837 13.247 -4.795 1.00 24.31 H new ATOM 0 HG2 GLU A 77 -3.164 10.915 -6.703 1.00 73.30 H new ATOM 0 HG3 GLU A 77 -3.548 10.939 -4.994 1.00 73.30 H new ATOM 1245 N MET A 78 -0.370 14.756 -6.536 1.00 70.32 N ATOM 1246 CA MET A 78 0.526 15.844 -6.171 1.00 15.22 C ATOM 1247 C MET A 78 0.583 16.923 -7.256 1.00 3.11 C ATOM 1248 O MET A 78 0.638 18.107 -6.952 1.00 33.34 O ATOM 1249 CB MET A 78 1.934 15.308 -5.888 1.00 14.14 C ATOM 1250 CG MET A 78 2.909 16.371 -5.401 1.00 74.21 C ATOM 1251 SD MET A 78 4.563 15.719 -5.103 1.00 31.10 S ATOM 1252 CE MET A 78 5.382 17.178 -4.458 1.00 1.24 C ATOM 0 H MET A 78 0.103 13.897 -6.818 1.00 70.32 H new ATOM 0 HA MET A 78 0.128 16.302 -5.266 1.00 15.22 H new ATOM 0 HB2 MET A 78 1.868 14.518 -5.140 1.00 14.14 H new ATOM 0 HB3 MET A 78 2.330 14.854 -6.797 1.00 14.14 H new ATOM 0 HG2 MET A 78 2.966 17.170 -6.140 1.00 74.21 H new ATOM 0 HG3 MET A 78 2.527 16.814 -4.481 1.00 74.21 H new ATOM 0 HE1 MET A 78 6.419 16.939 -4.224 1.00 1.24 H new ATOM 0 HE2 MET A 78 5.352 17.972 -5.204 1.00 1.24 H new ATOM 0 HE3 MET A 78 4.873 17.511 -3.553 1.00 1.24 H new ATOM 1262 N LYS A 79 0.554 16.505 -8.515 1.00 22.42 N ATOM 1263 CA LYS A 79 0.656 17.448 -9.637 1.00 31.53 C ATOM 1264 C LYS A 79 -0.523 18.430 -9.696 1.00 0.11 C ATOM 1265 O LYS A 79 -0.405 19.520 -10.262 1.00 23.03 O ATOM 1266 CB LYS A 79 0.842 16.704 -10.986 1.00 1.05 C ATOM 1267 CG LYS A 79 -0.318 15.801 -11.414 1.00 32.30 C ATOM 1268 CD LYS A 79 -1.446 16.588 -12.075 1.00 54.43 C ATOM 1269 CE LYS A 79 -2.564 15.674 -12.561 1.00 30.00 C ATOM 1270 NZ LYS A 79 -2.111 14.750 -13.633 1.00 75.14 N ATOM 0 H LYS A 79 0.462 15.527 -8.791 1.00 22.42 H new ATOM 0 HA LYS A 79 1.549 18.047 -9.458 1.00 31.53 H new ATOM 0 HB2 LYS A 79 1.009 17.445 -11.768 1.00 1.05 H new ATOM 0 HB3 LYS A 79 1.746 16.098 -10.923 1.00 1.05 H new ATOM 0 HG2 LYS A 79 0.049 15.044 -12.107 1.00 32.30 H new ATOM 0 HG3 LYS A 79 -0.707 15.274 -10.543 1.00 32.30 H new ATOM 0 HD2 LYS A 79 -1.850 17.310 -11.365 1.00 54.43 H new ATOM 0 HD3 LYS A 79 -1.049 17.156 -12.917 1.00 54.43 H new ATOM 0 HE2 LYS A 79 -2.946 15.093 -11.722 1.00 30.00 H new ATOM 0 HE3 LYS A 79 -3.390 16.280 -12.932 1.00 30.00 H new ATOM 0 HZ1 LYS A 79 -2.809 14.744 -14.404 1.00 75.14 H new ATOM 0 HZ2 LYS A 79 -1.192 15.069 -14.001 1.00 75.14 H new ATOM 0 HZ3 LYS A 79 -2.015 13.790 -13.246 1.00 75.14 H new ATOM 1284 N THR A 80 -1.649 18.052 -9.108 1.00 33.03 N ATOM 1285 CA THR A 80 -2.823 18.905 -9.129 1.00 13.32 C ATOM 1286 C THR A 80 -3.060 19.547 -7.755 1.00 35.55 C ATOM 1287 O THR A 80 -3.996 20.326 -7.568 1.00 32.33 O ATOM 1288 CB THR A 80 -4.086 18.118 -9.582 1.00 25.43 C ATOM 1289 OG1 THR A 80 -5.146 19.028 -9.913 1.00 52.24 O ATOM 1290 CG2 THR A 80 -4.558 17.161 -8.493 1.00 75.41 C ATOM 0 H THR A 80 -1.772 17.168 -8.615 1.00 33.03 H new ATOM 0 HA THR A 80 -2.638 19.697 -9.854 1.00 13.32 H new ATOM 0 HB THR A 80 -3.818 17.536 -10.463 1.00 25.43 H new ATOM 0 HG1 THR A 80 -5.103 19.809 -9.323 1.00 52.24 H new ATOM 0 HG21 THR A 80 -5.442 16.625 -8.838 1.00 75.41 H new ATOM 0 HG22 THR A 80 -3.766 16.447 -8.267 1.00 75.41 H new ATOM 0 HG23 THR A 80 -4.804 17.726 -7.594 1.00 75.41 H new ATOM 1298 N TYR A 81 -2.197 19.231 -6.809 1.00 62.44 N ATOM 1299 CA TYR A 81 -2.310 19.763 -5.466 1.00 50.55 C ATOM 1300 C TYR A 81 -1.163 20.711 -5.176 1.00 72.33 C ATOM 1301 O TYR A 81 -0.006 20.396 -5.439 1.00 70.52 O ATOM 1302 CB TYR A 81 -2.338 18.621 -4.436 1.00 42.41 C ATOM 1303 CG TYR A 81 -2.254 19.077 -2.990 1.00 54.15 C ATOM 1304 CD1 TYR A 81 -3.297 19.779 -2.396 1.00 45.04 C ATOM 1305 CD2 TYR A 81 -1.127 18.810 -2.225 1.00 1.32 C ATOM 1306 CE1 TYR A 81 -3.216 20.199 -1.079 1.00 44.42 C ATOM 1307 CE2 TYR A 81 -1.038 19.226 -0.912 1.00 42.11 C ATOM 1308 CZ TYR A 81 -2.083 19.919 -0.343 1.00 21.30 C ATOM 1309 OH TYR A 81 -1.993 20.337 0.967 1.00 54.12 O ATOM 0 H TYR A 81 -1.405 18.604 -6.948 1.00 62.44 H new ATOM 0 HA TYR A 81 -3.245 20.318 -5.390 1.00 50.55 H new ATOM 0 HB2 TYR A 81 -3.256 18.049 -4.571 1.00 42.41 H new ATOM 0 HB3 TYR A 81 -1.508 17.944 -4.639 1.00 42.41 H new ATOM 0 HD1 TYR A 81 -4.184 20.000 -2.971 1.00 45.04 H new ATOM 0 HD2 TYR A 81 -0.304 18.266 -2.665 1.00 1.32 H new ATOM 0 HE1 TYR A 81 -4.035 20.742 -0.631 1.00 44.42 H new ATOM 0 HE2 TYR A 81 -0.152 19.009 -0.333 1.00 42.11 H new ATOM 0 HH TYR A 81 -1.131 20.058 1.341 1.00 54.12 H new ATOM 1319 N ILE A 82 -1.487 21.876 -4.656 1.00 60.42 N ATOM 1320 CA ILE A 82 -0.479 22.852 -4.302 1.00 12.23 C ATOM 1321 C ILE A 82 -0.234 22.812 -2.804 1.00 31.02 C ATOM 1322 O ILE A 82 -1.032 23.333 -2.026 1.00 15.52 O ATOM 1323 CB ILE A 82 -0.895 24.285 -4.720 1.00 14.44 C ATOM 1324 CG1 ILE A 82 -1.225 24.330 -6.217 1.00 51.52 C ATOM 1325 CG2 ILE A 82 0.207 25.289 -4.383 1.00 51.13 C ATOM 1326 CD1 ILE A 82 -0.101 23.842 -7.110 1.00 53.54 C ATOM 0 H ILE A 82 -2.445 22.171 -4.468 1.00 60.42 H new ATOM 0 HA ILE A 82 0.435 22.597 -4.839 1.00 12.23 H new ATOM 0 HB ILE A 82 -1.788 24.560 -4.159 1.00 14.44 H new ATOM 0 HG12 ILE A 82 -2.112 23.724 -6.402 1.00 51.52 H new ATOM 0 HG13 ILE A 82 -1.476 25.354 -6.493 1.00 51.52 H new ATOM 0 HG21 ILE A 82 -0.106 26.288 -4.685 1.00 51.13 H new ATOM 0 HG22 ILE A 82 0.395 25.277 -3.309 1.00 51.13 H new ATOM 0 HG23 ILE A 82 1.120 25.019 -4.914 1.00 51.13 H new ATOM 0 HD11 ILE A 82 -0.412 23.905 -8.153 1.00 53.54 H new ATOM 0 HD12 ILE A 82 0.782 24.463 -6.956 1.00 53.54 H new ATOM 0 HD13 ILE A 82 0.136 22.807 -6.864 1.00 53.54 H new ATOM 1338 N PRO A 83 0.853 22.164 -2.377 1.00 71.24 N ATOM 1339 CA PRO A 83 1.183 22.044 -0.968 1.00 44.22 C ATOM 1340 C PRO A 83 1.739 23.345 -0.397 1.00 12.24 C ATOM 1341 O PRO A 83 2.762 23.854 -0.878 1.00 43.20 O ATOM 1342 CB PRO A 83 2.267 20.944 -0.935 1.00 20.01 C ATOM 1343 CG PRO A 83 2.347 20.409 -2.330 1.00 1.12 C ATOM 1344 CD PRO A 83 1.840 21.495 -3.223 1.00 54.51 C ATOM 0 HA PRO A 83 0.305 21.810 -0.366 1.00 44.22 H new ATOM 0 HB2 PRO A 83 3.227 21.350 -0.616 1.00 20.01 H new ATOM 0 HB3 PRO A 83 2.004 20.157 -0.229 1.00 20.01 H new ATOM 0 HG2 PRO A 83 3.372 20.141 -2.586 1.00 1.12 H new ATOM 0 HG3 PRO A 83 1.746 19.506 -2.436 1.00 1.12 H new ATOM 0 HD2 PRO A 83 2.637 22.172 -3.531 1.00 54.51 H new ATOM 0 HD3 PRO A 83 1.391 21.096 -4.133 1.00 54.51 H new