USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 810 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 HIS : no HE2:sc= -1.21! C(o=-1.1!,f=-5.4!) USER MOD Set 1.2: A 37 MET CE :methyl 139:sc= -1.41 (180deg=-3.03) USER MOD Set 1.3: A 60 TYR OH : rot -85:sc= 0.253 USER MOD Set 1.4: A 81 THR OG1 : rot -45:sc= 1.23 USER MOD Set 2.1: A 18 MET CE :methyl -138:sc= -0.492 (180deg=-1.95!) USER MOD Set 2.2: A 21 TYR OH : rot 165:sc= -1.2 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot -149:sc=7.01e-05 USER MOD Single : A 16 SER OG : rot 170:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 53:sc= 0.892 USER MOD Single : A 22 SER OG : rot -14:sc= 0.188 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.0822 X(o=-0.082,f=0) USER MOD Single : A 33 HIS : no HD1:sc= 0.612 K(o=0.61,f=-3.2!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 130:sc= -0.283 USER MOD Single : A 39 LYS NZ :NH3+ -164:sc= -0.0267 (180deg=-0.252) USER MOD Single : A 41 LYS NZ :NH3+ -175:sc=-0.00699 (180deg=-0.101) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot -4:sc= -0.282 USER MOD Single : A 48 GLN : amide:sc= -0.311 K(o=-0.31,f=-0.98) USER MOD Single : A 50 HIS : no HD1:sc= -0.0103 X(o=-0.01,f=-0.012) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 141:sc= -1.45 (180deg=-3.9!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 171:sc= -0.0219 (180deg=-0.16) USER MOD Single : A 67 THR OG1 : rot 153:sc= 1.33 USER MOD Single : A 69 CYS SG : rot -1:sc= 0.00169 USER MOD Single : A 70 ASN :FLIP amide:sc= -0.726 F(o=-1.6!,f=-0.73) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.00126 USER MOD Single : A 76 GLN : amide:sc= -0.0307 K(o=-0.031,f=-1.1) USER MOD Single : A 78 ASN : amide:sc= -1.99 K(o=-2,f=-2.5!) USER MOD Single : A 80 SER OG : rot -39:sc= 1.21 USER MOD Single : A 83 LYS NZ :NH3+ 170:sc=-0.000401 (180deg=-0.138) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 161:sc= -0.081 (180deg=-0.467) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl -174:sc= -0.396 (180deg=-0.642) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 85 N PHE A 7 15.381 -1.210 1.702 1.00 52.02 N ATOM 86 CA PHE A 7 14.236 -1.150 0.821 1.00 21.12 C ATOM 87 C PHE A 7 14.288 0.113 -0.019 1.00 11.24 C ATOM 88 O PHE A 7 14.313 1.222 0.510 1.00 23.23 O ATOM 89 CB PHE A 7 12.943 -1.161 1.625 1.00 41.42 C ATOM 90 CG PHE A 7 12.944 -2.134 2.768 1.00 24.02 C ATOM 91 CD1 PHE A 7 12.799 -3.491 2.540 1.00 50.34 C ATOM 92 CD2 PHE A 7 13.085 -1.688 4.073 1.00 73.15 C ATOM 93 CE1 PHE A 7 12.796 -4.386 3.590 1.00 34.45 C ATOM 94 CE2 PHE A 7 13.083 -2.581 5.126 1.00 72.13 C ATOM 95 CZ PHE A 7 12.937 -3.931 4.885 1.00 65.42 C ATOM 0 HA PHE A 7 14.262 -2.024 0.170 1.00 21.12 H new ATOM 0 HB2 PHE A 7 12.760 -0.159 2.014 1.00 41.42 H new ATOM 0 HB3 PHE A 7 12.114 -1.400 0.958 1.00 41.42 H new ATOM 0 HD1 PHE A 7 12.687 -3.854 1.529 1.00 50.34 H new ATOM 0 HD2 PHE A 7 13.198 -0.632 4.268 1.00 73.15 H new ATOM 0 HE1 PHE A 7 12.683 -5.443 3.398 1.00 34.45 H new ATOM 0 HE2 PHE A 7 13.196 -2.222 6.138 1.00 72.13 H new ATOM 0 HZ PHE A 7 12.933 -4.630 5.708 1.00 65.42 H new ATOM 105 N LYS A 8 14.309 -0.062 -1.324 1.00 63.22 N ATOM 106 CA LYS A 8 14.354 1.057 -2.245 1.00 65.12 C ATOM 107 C LYS A 8 12.954 1.474 -2.668 1.00 65.53 C ATOM 108 O LYS A 8 12.769 2.474 -3.361 1.00 3.12 O ATOM 109 CB LYS A 8 15.166 0.671 -3.468 1.00 34.23 C ATOM 110 CG LYS A 8 16.629 0.400 -3.164 1.00 3.12 C ATOM 111 CD LYS A 8 17.390 0.001 -4.412 1.00 32.20 C ATOM 112 CE LYS A 8 18.825 -0.376 -4.087 1.00 51.15 C ATOM 113 NZ LYS A 8 19.592 -0.732 -5.307 1.00 12.21 N ATOM 0 H LYS A 8 14.296 -0.977 -1.775 1.00 63.22 H new ATOM 0 HA LYS A 8 14.822 1.902 -1.741 1.00 65.12 H new ATOM 0 HB2 LYS A 8 14.726 -0.218 -3.920 1.00 34.23 H new ATOM 0 HB3 LYS A 8 15.099 1.470 -4.206 1.00 34.23 H new ATOM 0 HG2 LYS A 8 17.083 1.291 -2.729 1.00 3.12 H new ATOM 0 HG3 LYS A 8 16.706 -0.393 -2.420 1.00 3.12 H new ATOM 0 HD2 LYS A 8 16.890 -0.841 -4.892 1.00 32.20 H new ATOM 0 HD3 LYS A 8 17.381 0.825 -5.125 1.00 32.20 H new ATOM 0 HE2 LYS A 8 19.314 0.456 -3.581 1.00 51.15 H new ATOM 0 HE3 LYS A 8 18.832 -1.218 -3.395 1.00 51.15 H new ATOM 0 HZ1 LYS A 8 20.566 -0.983 -5.044 1.00 12.21 H new ATOM 0 HZ2 LYS A 8 19.140 -1.543 -5.777 1.00 12.21 H new ATOM 0 HZ3 LYS A 8 19.607 0.080 -5.957 1.00 12.21 H new ATOM 127 N SER A 9 11.980 0.690 -2.253 1.00 70.24 N ATOM 128 CA SER A 9 10.593 0.941 -2.597 1.00 70.42 C ATOM 129 C SER A 9 9.676 0.559 -1.444 1.00 43.10 C ATOM 130 O SER A 9 9.997 -0.348 -0.668 1.00 21.40 O ATOM 131 CB SER A 9 10.227 0.146 -3.851 1.00 52.22 C ATOM 132 OG SER A 9 10.640 -1.210 -3.748 1.00 51.13 O ATOM 0 H SER A 9 12.125 -0.135 -1.671 1.00 70.24 H new ATOM 0 HA SER A 9 10.464 2.005 -2.794 1.00 70.42 H new ATOM 0 HB2 SER A 9 9.149 0.188 -4.008 1.00 52.22 H new ATOM 0 HB3 SER A 9 10.694 0.604 -4.723 1.00 52.22 H new ATOM 0 HG SER A 9 10.852 -1.556 -4.640 1.00 51.13 H new ATOM 138 N PHE A 10 8.536 1.240 -1.325 1.00 32.23 N ATOM 139 CA PHE A 10 7.576 0.903 -0.291 1.00 32.24 C ATOM 140 C PHE A 10 6.920 -0.429 -0.613 1.00 13.11 C ATOM 141 O PHE A 10 6.481 -1.146 0.280 1.00 34.41 O ATOM 142 CB PHE A 10 6.518 2.006 -0.093 1.00 2.35 C ATOM 143 CG PHE A 10 5.607 2.293 -1.267 1.00 12.51 C ATOM 144 CD1 PHE A 10 4.672 1.364 -1.701 1.00 22.51 C ATOM 145 CD2 PHE A 10 5.667 3.517 -1.913 1.00 41.35 C ATOM 146 CE1 PHE A 10 3.828 1.647 -2.756 1.00 50.15 C ATOM 147 CE2 PHE A 10 4.825 3.804 -2.971 1.00 61.20 C ATOM 148 CZ PHE A 10 3.905 2.868 -3.392 1.00 64.30 C ATOM 0 H PHE A 10 8.263 2.017 -1.926 1.00 32.23 H new ATOM 0 HA PHE A 10 8.116 0.819 0.652 1.00 32.24 H new ATOM 0 HB2 PHE A 10 5.897 1.733 0.760 1.00 2.35 H new ATOM 0 HB3 PHE A 10 7.034 2.929 0.171 1.00 2.35 H new ATOM 0 HD1 PHE A 10 4.604 0.406 -1.207 1.00 22.51 H new ATOM 0 HD2 PHE A 10 6.382 4.257 -1.585 1.00 41.35 H new ATOM 0 HE1 PHE A 10 3.107 0.912 -3.083 1.00 50.15 H new ATOM 0 HE2 PHE A 10 4.888 4.761 -3.467 1.00 61.20 H new ATOM 0 HZ PHE A 10 3.246 3.090 -4.218 1.00 64.30 H new ATOM 158 N HIS A 11 6.869 -0.756 -1.897 1.00 64.33 N ATOM 159 CA HIS A 11 6.360 -2.052 -2.333 1.00 62.12 C ATOM 160 C HIS A 11 7.172 -3.181 -1.709 1.00 54.33 C ATOM 161 O HIS A 11 6.620 -4.205 -1.306 1.00 24.21 O ATOM 162 CB HIS A 11 6.384 -2.173 -3.862 1.00 30.31 C ATOM 163 CG HIS A 11 5.239 -1.489 -4.548 1.00 15.02 C ATOM 164 ND1 HIS A 11 5.397 -0.413 -5.393 1.00 63.43 N ATOM 165 CD2 HIS A 11 3.911 -1.754 -4.525 1.00 70.02 C ATOM 166 CE1 HIS A 11 4.217 -0.044 -5.858 1.00 42.23 C ATOM 167 NE2 HIS A 11 3.298 -0.840 -5.346 1.00 33.43 N ATOM 0 H HIS A 11 7.173 -0.144 -2.655 1.00 64.33 H new ATOM 0 HA HIS A 11 5.325 -2.131 -2.000 1.00 62.12 H new ATOM 0 HB2 HIS A 11 7.319 -1.755 -4.234 1.00 30.31 H new ATOM 0 HB3 HIS A 11 6.377 -3.229 -4.132 1.00 30.31 H new ATOM 0 HD1 HIS A 11 6.286 0.030 -5.624 1.00 63.43 H new ATOM 0 HD2 HIS A 11 3.424 -2.539 -3.965 1.00 70.02 H new ATOM 0 HE1 HIS A 11 4.035 0.772 -6.542 1.00 42.23 H new ATOM 176 N ASP A 12 8.482 -2.989 -1.622 1.00 23.41 N ATOM 177 CA ASP A 12 9.349 -3.987 -1.011 1.00 14.03 C ATOM 178 C ASP A 12 9.283 -3.881 0.510 1.00 61.24 C ATOM 179 O ASP A 12 9.255 -4.893 1.213 1.00 74.21 O ATOM 180 CB ASP A 12 10.793 -3.825 -1.486 1.00 21.32 C ATOM 181 CG ASP A 12 11.612 -5.075 -1.239 1.00 43.10 C ATOM 182 OD1 ASP A 12 11.255 -6.141 -1.791 1.00 3.04 O ATOM 183 OD2 ASP A 12 12.626 -5.002 -0.515 1.00 3.51 O ATOM 0 H ASP A 12 8.964 -2.158 -1.964 1.00 23.41 H new ATOM 0 HA ASP A 12 8.998 -4.973 -1.316 1.00 14.03 H new ATOM 0 HB2 ASP A 12 10.801 -3.590 -2.550 1.00 21.32 H new ATOM 0 HB3 ASP A 12 11.253 -2.982 -0.970 1.00 21.32 H new ATOM 188 N PHE A 13 9.241 -2.645 1.001 1.00 20.44 N ATOM 189 CA PHE A 13 9.144 -2.375 2.434 1.00 21.35 C ATOM 190 C PHE A 13 7.906 -3.039 3.033 1.00 2.42 C ATOM 191 O PHE A 13 8.003 -3.777 4.015 1.00 15.41 O ATOM 192 CB PHE A 13 9.101 -0.861 2.683 1.00 11.41 C ATOM 193 CG PHE A 13 8.971 -0.479 4.133 1.00 44.05 C ATOM 194 CD1 PHE A 13 10.094 -0.327 4.928 1.00 52.50 C ATOM 195 CD2 PHE A 13 7.721 -0.273 4.702 1.00 52.11 C ATOM 196 CE1 PHE A 13 9.977 0.023 6.259 1.00 24.32 C ATOM 197 CE2 PHE A 13 7.597 0.077 6.032 1.00 40.04 C ATOM 198 CZ PHE A 13 8.727 0.225 6.812 1.00 72.34 C ATOM 0 H PHE A 13 9.273 -1.806 0.421 1.00 20.44 H new ATOM 0 HA PHE A 13 10.025 -2.794 2.920 1.00 21.35 H new ATOM 0 HB2 PHE A 13 10.009 -0.412 2.280 1.00 11.41 H new ATOM 0 HB3 PHE A 13 8.263 -0.437 2.130 1.00 11.41 H new ATOM 0 HD1 PHE A 13 11.074 -0.484 4.502 1.00 52.50 H new ATOM 0 HD2 PHE A 13 6.834 -0.388 4.096 1.00 52.11 H new ATOM 0 HE1 PHE A 13 10.862 0.139 6.867 1.00 24.32 H new ATOM 0 HE2 PHE A 13 6.619 0.235 6.461 1.00 40.04 H new ATOM 0 HZ PHE A 13 8.634 0.498 7.853 1.00 72.34 H new ATOM 208 N VAL A 14 6.750 -2.781 2.432 1.00 42.23 N ATOM 209 CA VAL A 14 5.494 -3.333 2.919 1.00 31.11 C ATOM 210 C VAL A 14 5.522 -4.854 2.879 1.00 62.12 C ATOM 211 O VAL A 14 5.079 -5.512 3.815 1.00 65.43 O ATOM 212 CB VAL A 14 4.286 -2.823 2.102 1.00 65.42 C ATOM 213 CG1 VAL A 14 3.006 -3.510 2.548 1.00 1.24 C ATOM 214 CG2 VAL A 14 4.150 -1.315 2.236 1.00 60.13 C ATOM 0 H VAL A 14 6.658 -2.191 1.605 1.00 42.23 H new ATOM 0 HA VAL A 14 5.379 -2.997 3.949 1.00 31.11 H new ATOM 0 HB VAL A 14 4.459 -3.065 1.053 1.00 65.42 H new ATOM 0 HG11 VAL A 14 2.168 -3.136 1.960 1.00 1.24 H new ATOM 0 HG12 VAL A 14 3.100 -4.586 2.402 1.00 1.24 H new ATOM 0 HG13 VAL A 14 2.830 -3.302 3.603 1.00 1.24 H new ATOM 0 HG21 VAL A 14 3.294 -0.974 1.654 1.00 60.13 H new ATOM 0 HG22 VAL A 14 4.003 -1.055 3.284 1.00 60.13 H new ATOM 0 HG23 VAL A 14 5.055 -0.834 1.866 1.00 60.13 H new ATOM 224 N ALA A 15 6.068 -5.405 1.800 1.00 43.42 N ATOM 225 CA ALA A 15 6.158 -6.851 1.646 1.00 65.01 C ATOM 226 C ALA A 15 6.976 -7.476 2.772 1.00 44.43 C ATOM 227 O ALA A 15 6.635 -8.544 3.274 1.00 22.11 O ATOM 228 CB ALA A 15 6.760 -7.205 0.297 1.00 11.13 C ATOM 0 H ALA A 15 6.454 -4.872 1.021 1.00 43.42 H new ATOM 0 HA ALA A 15 5.148 -7.257 1.697 1.00 65.01 H new ATOM 0 HB1 ALA A 15 6.820 -8.289 0.198 1.00 11.13 H new ATOM 0 HB2 ALA A 15 6.133 -6.803 -0.498 1.00 11.13 H new ATOM 0 HB3 ALA A 15 7.760 -6.778 0.221 1.00 11.13 H new ATOM 234 N SER A 16 8.040 -6.796 3.177 1.00 32.41 N ATOM 235 CA SER A 16 8.904 -7.294 4.240 1.00 55.42 C ATOM 236 C SER A 16 8.230 -7.138 5.603 1.00 64.55 C ATOM 237 O SER A 16 8.299 -8.034 6.446 1.00 14.21 O ATOM 238 CB SER A 16 10.246 -6.560 4.216 1.00 42.44 C ATOM 239 OG SER A 16 11.193 -7.189 5.062 1.00 23.35 O ATOM 0 H SER A 16 8.326 -5.898 2.786 1.00 32.41 H new ATOM 0 HA SER A 16 9.084 -8.356 4.071 1.00 55.42 H new ATOM 0 HB2 SER A 16 10.629 -6.532 3.196 1.00 42.44 H new ATOM 0 HB3 SER A 16 10.103 -5.527 4.532 1.00 42.44 H new ATOM 0 HG SER A 16 12.079 -6.801 4.907 1.00 23.35 H new ATOM 245 N TYR A 17 7.565 -6.008 5.813 1.00 40.21 N ATOM 246 CA TYR A 17 6.869 -5.761 7.070 1.00 14.21 C ATOM 247 C TYR A 17 5.664 -6.690 7.199 1.00 74.51 C ATOM 248 O TYR A 17 5.358 -7.188 8.282 1.00 23.21 O ATOM 249 CB TYR A 17 6.422 -4.299 7.165 1.00 40.31 C ATOM 250 CG TYR A 17 5.821 -3.934 8.506 1.00 20.23 C ATOM 251 CD1 TYR A 17 6.628 -3.529 9.562 1.00 41.11 C ATOM 252 CD2 TYR A 17 4.448 -3.993 8.718 1.00 31.51 C ATOM 253 CE1 TYR A 17 6.085 -3.194 10.789 1.00 31.44 C ATOM 254 CE2 TYR A 17 3.898 -3.659 9.940 1.00 13.32 C ATOM 255 CZ TYR A 17 4.719 -3.261 10.972 1.00 10.30 C ATOM 256 OH TYR A 17 4.174 -2.927 12.191 1.00 64.31 O ATOM 0 H TYR A 17 7.493 -5.252 5.133 1.00 40.21 H new ATOM 0 HA TYR A 17 7.560 -5.963 7.889 1.00 14.21 H new ATOM 0 HB2 TYR A 17 7.278 -3.653 6.972 1.00 40.31 H new ATOM 0 HB3 TYR A 17 5.690 -4.100 6.382 1.00 40.31 H new ATOM 0 HD1 TYR A 17 7.698 -3.475 9.422 1.00 41.11 H new ATOM 0 HD2 TYR A 17 3.800 -4.306 7.913 1.00 31.51 H new ATOM 0 HE1 TYR A 17 6.727 -2.882 11.600 1.00 31.44 H new ATOM 0 HE2 TYR A 17 2.829 -3.710 10.086 1.00 13.32 H new ATOM 0 HH TYR A 17 3.200 -3.027 12.152 1.00 64.31 H new ATOM 266 N MET A 18 4.991 -6.928 6.083 1.00 44.41 N ATOM 267 CA MET A 18 3.862 -7.846 6.049 1.00 5.41 C ATOM 268 C MET A 18 4.358 -9.271 6.251 1.00 73.31 C ATOM 269 O MET A 18 3.690 -10.093 6.872 1.00 64.21 O ATOM 270 CB MET A 18 3.107 -7.706 4.724 1.00 33.32 C ATOM 271 CG MET A 18 1.800 -8.475 4.667 1.00 63.42 C ATOM 272 SD MET A 18 0.820 -8.053 3.213 1.00 71.04 S ATOM 273 CE MET A 18 0.572 -6.291 3.464 1.00 74.24 C ATOM 0 H MET A 18 5.208 -6.496 5.185 1.00 44.41 H new ATOM 0 HA MET A 18 3.170 -7.603 6.855 1.00 5.41 H new ATOM 0 HB2 MET A 18 2.902 -6.650 4.546 1.00 33.32 H new ATOM 0 HB3 MET A 18 3.752 -8.047 3.914 1.00 33.32 H new ATOM 0 HG2 MET A 18 2.010 -9.545 4.663 1.00 63.42 H new ATOM 0 HG3 MET A 18 1.220 -8.268 5.566 1.00 63.42 H new ATOM 0 HE1 MET A 18 -0.457 -6.030 3.217 1.00 74.24 H new ATOM 0 HE2 MET A 18 0.770 -6.040 4.506 1.00 74.24 H new ATOM 0 HE3 MET A 18 1.252 -5.733 2.821 1.00 74.24 H new ATOM 283 N LYS A 19 5.556 -9.533 5.745 1.00 63.04 N ATOM 284 CA LYS A 19 6.239 -10.801 5.962 1.00 12.15 C ATOM 285 C LYS A 19 6.571 -10.963 7.441 1.00 54.40 C ATOM 286 O LYS A 19 6.580 -12.074 7.971 1.00 40.03 O ATOM 287 CB LYS A 19 7.522 -10.840 5.128 1.00 24.15 C ATOM 288 CG LYS A 19 8.316 -12.129 5.248 1.00 50.31 C ATOM 289 CD LYS A 19 9.712 -11.952 4.675 1.00 64.13 C ATOM 290 CE LYS A 19 10.507 -13.247 4.702 1.00 42.13 C ATOM 291 NZ LYS A 19 11.933 -13.021 4.349 1.00 32.51 N ATOM 0 H LYS A 19 6.081 -8.872 5.173 1.00 63.04 H new ATOM 0 HA LYS A 19 5.588 -11.620 5.656 1.00 12.15 H new ATOM 0 HB2 LYS A 19 7.264 -10.684 4.081 1.00 24.15 H new ATOM 0 HB3 LYS A 19 8.159 -10.007 5.426 1.00 24.15 H new ATOM 0 HG2 LYS A 19 8.382 -12.426 6.295 1.00 50.31 H new ATOM 0 HG3 LYS A 19 7.800 -12.931 4.721 1.00 50.31 H new ATOM 0 HD2 LYS A 19 9.640 -11.592 3.649 1.00 64.13 H new ATOM 0 HD3 LYS A 19 10.243 -11.189 5.244 1.00 64.13 H new ATOM 0 HE2 LYS A 19 10.444 -13.693 5.695 1.00 42.13 H new ATOM 0 HE3 LYS A 19 10.067 -13.959 4.004 1.00 42.13 H new ATOM 0 HZ1 LYS A 19 12.445 -13.926 4.377 1.00 32.51 H new ATOM 0 HZ2 LYS A 19 11.994 -12.618 3.392 1.00 32.51 H new ATOM 0 HZ3 LYS A 19 12.359 -12.361 5.030 1.00 32.51 H new ATOM 305 N THR A 20 6.829 -9.839 8.100 1.00 13.21 N ATOM 306 CA THR A 20 7.166 -9.827 9.517 1.00 34.13 C ATOM 307 C THR A 20 6.046 -10.435 10.363 1.00 53.43 C ATOM 308 O THR A 20 6.289 -11.335 11.162 1.00 10.20 O ATOM 309 CB THR A 20 7.470 -8.394 9.999 1.00 2.34 C ATOM 310 OG1 THR A 20 8.546 -7.841 9.228 1.00 64.20 O ATOM 311 CG2 THR A 20 7.839 -8.373 11.475 1.00 63.42 C ATOM 0 H THR A 20 6.810 -8.915 7.669 1.00 13.21 H new ATOM 0 HA THR A 20 8.060 -10.438 9.642 1.00 34.13 H new ATOM 0 HB THR A 20 6.570 -7.794 9.863 1.00 2.34 H new ATOM 0 HG1 THR A 20 8.338 -7.919 8.273 1.00 64.20 H new ATOM 0 HG21 THR A 20 8.047 -7.349 11.783 1.00 63.42 H new ATOM 0 HG22 THR A 20 7.010 -8.767 12.063 1.00 63.42 H new ATOM 0 HG23 THR A 20 8.724 -8.988 11.638 1.00 63.42 H new ATOM 319 N TYR A 21 4.814 -9.964 10.188 1.00 0.13 N ATOM 320 CA TYR A 21 3.709 -10.515 10.948 1.00 35.13 C ATOM 321 C TYR A 21 3.107 -11.724 10.236 1.00 12.41 C ATOM 322 O TYR A 21 2.202 -12.378 10.755 1.00 53.15 O ATOM 323 CB TYR A 21 2.650 -9.445 11.249 1.00 14.20 C ATOM 324 CG TYR A 21 1.875 -8.916 10.058 1.00 11.23 C ATOM 325 CD1 TYR A 21 0.703 -9.536 9.638 1.00 73.10 C ATOM 326 CD2 TYR A 21 2.293 -7.782 9.378 1.00 22.41 C ATOM 327 CE1 TYR A 21 -0.026 -9.042 8.572 1.00 73.24 C ATOM 328 CE2 TYR A 21 1.572 -7.282 8.309 1.00 3.34 C ATOM 329 CZ TYR A 21 0.413 -7.916 7.910 1.00 35.13 C ATOM 330 OH TYR A 21 -0.309 -7.420 6.846 1.00 20.34 O ATOM 0 H TYR A 21 4.564 -9.218 9.539 1.00 0.13 H new ATOM 0 HA TYR A 21 4.097 -10.859 11.907 1.00 35.13 H new ATOM 0 HB2 TYR A 21 1.939 -9.859 11.964 1.00 14.20 H new ATOM 0 HB3 TYR A 21 3.142 -8.604 11.738 1.00 14.20 H new ATOM 0 HD1 TYR A 21 0.356 -10.419 10.154 1.00 73.10 H new ATOM 0 HD2 TYR A 21 3.198 -7.280 9.689 1.00 22.41 H new ATOM 0 HE1 TYR A 21 -0.934 -9.536 8.260 1.00 73.24 H new ATOM 0 HE2 TYR A 21 1.914 -6.400 7.789 1.00 3.34 H new ATOM 0 HH TYR A 21 -0.011 -6.508 6.645 1.00 20.34 H new ATOM 340 N SER A 22 3.640 -12.033 9.056 1.00 2.43 N ATOM 341 CA SER A 22 3.249 -13.230 8.321 1.00 52.45 C ATOM 342 C SER A 22 3.731 -14.489 9.040 1.00 30.40 C ATOM 343 O SER A 22 3.334 -15.602 8.693 1.00 24.43 O ATOM 344 CB SER A 22 3.811 -13.191 6.894 1.00 24.25 C ATOM 345 OG SER A 22 3.518 -14.383 6.180 1.00 12.14 O ATOM 0 H SER A 22 4.347 -11.467 8.588 1.00 2.43 H new ATOM 0 HA SER A 22 2.160 -13.256 8.270 1.00 52.45 H new ATOM 0 HB2 SER A 22 3.393 -12.336 6.362 1.00 24.25 H new ATOM 0 HB3 SER A 22 4.891 -13.046 6.932 1.00 24.25 H new ATOM 0 HG SER A 22 3.222 -15.076 6.807 1.00 12.14 H new ATOM 351 N ARG A 23 4.580 -14.305 10.043 1.00 3.34 N ATOM 352 CA ARG A 23 5.107 -15.422 10.809 1.00 73.13 C ATOM 353 C ARG A 23 4.003 -16.124 11.593 1.00 31.04 C ATOM 354 O ARG A 23 4.089 -17.318 11.860 1.00 71.11 O ATOM 355 CB ARG A 23 6.174 -14.944 11.791 1.00 41.33 C ATOM 356 CG ARG A 23 7.346 -14.219 11.153 1.00 75.32 C ATOM 357 CD ARG A 23 8.338 -13.774 12.214 1.00 60.14 C ATOM 358 NE ARG A 23 9.271 -12.766 11.722 1.00 45.12 N ATOM 359 CZ ARG A 23 9.567 -11.648 12.383 1.00 14.41 C ATOM 360 NH1 ARG A 23 9.003 -11.396 13.561 1.00 31.24 N ATOM 361 NH2 ARG A 23 10.427 -10.785 11.863 1.00 53.02 N ATOM 0 H ARG A 23 4.917 -13.391 10.344 1.00 3.34 H new ATOM 0 HA ARG A 23 5.544 -16.123 10.098 1.00 73.13 H new ATOM 0 HB2 ARG A 23 5.707 -14.281 12.519 1.00 41.33 H new ATOM 0 HB3 ARG A 23 6.553 -15.805 12.341 1.00 41.33 H new ATOM 0 HG2 ARG A 23 7.841 -14.875 10.437 1.00 75.32 H new ATOM 0 HG3 ARG A 23 6.986 -13.353 10.597 1.00 75.32 H new ATOM 0 HD2 ARG A 23 7.794 -13.374 13.070 1.00 60.14 H new ATOM 0 HD3 ARG A 23 8.898 -14.639 12.569 1.00 60.14 H new ATOM 0 HE ARG A 23 9.722 -12.926 10.821 1.00 45.12 H new ATOM 0 HH11 ARG A 23 8.341 -12.060 13.962 1.00 31.24 H new ATOM 0 HH12 ARG A 23 9.233 -10.539 14.063 1.00 31.24 H new ATOM 0 HH21 ARG A 23 10.860 -10.978 10.960 1.00 53.02 H new ATOM 0 HH22 ARG A 23 10.656 -9.928 12.366 1.00 53.02 H new ATOM 375 N ARG A 24 2.965 -15.380 11.959 1.00 23.44 N ATOM 376 CA ARG A 24 1.940 -15.909 12.851 1.00 24.32 C ATOM 377 C ARG A 24 0.583 -16.074 12.163 1.00 72.10 C ATOM 378 O ARG A 24 -0.394 -16.444 12.811 1.00 44.31 O ATOM 379 CB ARG A 24 1.812 -15.015 14.103 1.00 61.25 C ATOM 380 CG ARG A 24 1.415 -13.569 13.819 1.00 54.22 C ATOM 381 CD ARG A 24 -0.091 -13.417 13.662 1.00 44.21 C ATOM 382 NE ARG A 24 -0.477 -12.074 13.240 1.00 54.35 N ATOM 383 CZ ARG A 24 -1.557 -11.815 12.506 1.00 3.53 C ATOM 384 NH1 ARG A 24 -2.350 -12.808 12.127 1.00 4.34 N ATOM 385 NH2 ARG A 24 -1.848 -10.568 12.163 1.00 34.13 N ATOM 0 H ARG A 24 2.812 -14.418 11.655 1.00 23.44 H new ATOM 0 HA ARG A 24 2.259 -16.907 13.151 1.00 24.32 H new ATOM 0 HB2 ARG A 24 1.073 -15.455 14.772 1.00 61.25 H new ATOM 0 HB3 ARG A 24 2.764 -15.018 14.633 1.00 61.25 H new ATOM 0 HG2 ARG A 24 1.762 -12.931 14.631 1.00 54.22 H new ATOM 0 HG3 ARG A 24 1.911 -13.227 12.911 1.00 54.22 H new ATOM 0 HD2 ARG A 24 -0.452 -14.141 12.932 1.00 44.21 H new ATOM 0 HD3 ARG A 24 -0.577 -13.650 14.609 1.00 44.21 H new ATOM 0 HE ARG A 24 0.113 -11.291 13.523 1.00 54.35 H new ATOM 0 HH11 ARG A 24 -2.132 -13.767 12.398 1.00 4.34 H new ATOM 0 HH12 ARG A 24 -3.178 -12.613 11.565 1.00 4.34 H new ATOM 0 HH21 ARG A 24 -1.243 -9.803 12.462 1.00 34.13 H new ATOM 0 HH22 ARG A 24 -2.676 -10.374 11.601 1.00 34.13 H new ATOM 399 N LEU A 25 0.506 -15.809 10.865 1.00 13.22 N ATOM 400 CA LEU A 25 -0.750 -15.933 10.158 1.00 12.14 C ATOM 401 C LEU A 25 -0.730 -17.105 9.197 1.00 51.14 C ATOM 402 O LEU A 25 0.334 -17.598 8.808 1.00 31.35 O ATOM 403 CB LEU A 25 -1.089 -14.640 9.396 1.00 2.21 C ATOM 404 CG LEU A 25 0.027 -14.016 8.549 1.00 70.44 C ATOM 405 CD1 LEU A 25 0.278 -14.807 7.274 1.00 23.33 C ATOM 406 CD2 LEU A 25 -0.322 -12.578 8.209 1.00 75.12 C ATOM 0 H LEU A 25 1.294 -15.510 10.290 1.00 13.22 H new ATOM 0 HA LEU A 25 -1.522 -16.112 10.906 1.00 12.14 H new ATOM 0 HB2 LEU A 25 -1.936 -14.845 8.741 1.00 2.21 H new ATOM 0 HB3 LEU A 25 -1.419 -13.896 10.121 1.00 2.21 H new ATOM 0 HG LEU A 25 0.944 -14.039 9.139 1.00 70.44 H new ATOM 0 HD11 LEU A 25 1.075 -14.332 6.702 1.00 23.33 H new ATOM 0 HD12 LEU A 25 0.571 -15.825 7.529 1.00 23.33 H new ATOM 0 HD13 LEU A 25 -0.633 -14.831 6.675 1.00 23.33 H new ATOM 0 HD21 LEU A 25 0.476 -12.142 7.607 1.00 75.12 H new ATOM 0 HD22 LEU A 25 -1.255 -12.553 7.647 1.00 75.12 H new ATOM 0 HD23 LEU A 25 -0.437 -12.004 9.129 1.00 75.12 H new ATOM 418 N GLU A 26 -1.914 -17.553 8.837 1.00 2.12 N ATOM 419 CA GLU A 26 -2.077 -18.512 7.778 1.00 21.54 C ATOM 420 C GLU A 26 -1.800 -17.838 6.443 1.00 35.11 C ATOM 421 O GLU A 26 -2.077 -16.650 6.269 1.00 21.30 O ATOM 422 CB GLU A 26 -3.494 -19.055 7.827 1.00 33.42 C ATOM 423 CG GLU A 26 -3.630 -20.495 7.395 1.00 33.31 C ATOM 424 CD GLU A 26 -3.493 -20.669 5.900 1.00 52.03 C ATOM 425 OE1 GLU A 26 -4.404 -20.244 5.166 1.00 70.10 O ATOM 426 OE2 GLU A 26 -2.468 -21.223 5.449 1.00 71.12 O ATOM 0 H GLU A 26 -2.788 -17.259 9.274 1.00 2.12 H new ATOM 0 HA GLU A 26 -1.376 -19.338 7.898 1.00 21.54 H new ATOM 0 HB2 GLU A 26 -3.872 -18.957 8.845 1.00 33.42 H new ATOM 0 HB3 GLU A 26 -4.128 -18.437 7.191 1.00 33.42 H new ATOM 0 HG2 GLU A 26 -2.871 -21.094 7.898 1.00 33.31 H new ATOM 0 HG3 GLU A 26 -4.600 -20.876 7.714 1.00 33.31 H new ATOM 433 N ILE A 27 -1.276 -18.601 5.507 1.00 21.40 N ATOM 434 CA ILE A 27 -0.857 -18.060 4.221 1.00 11.10 C ATOM 435 C ILE A 27 -2.049 -17.501 3.444 1.00 24.11 C ATOM 436 O ILE A 27 -1.889 -16.601 2.627 1.00 74.33 O ATOM 437 CB ILE A 27 -0.123 -19.131 3.381 1.00 5.23 C ATOM 438 CG1 ILE A 27 1.106 -19.636 4.140 1.00 61.13 C ATOM 439 CG2 ILE A 27 0.284 -18.581 2.018 1.00 55.34 C ATOM 440 CD1 ILE A 27 2.101 -18.544 4.477 1.00 54.21 C ATOM 0 H ILE A 27 -1.127 -19.605 5.609 1.00 21.40 H new ATOM 0 HA ILE A 27 -0.163 -17.243 4.418 1.00 11.10 H new ATOM 0 HB ILE A 27 -0.808 -19.963 3.214 1.00 5.23 H new ATOM 0 HG12 ILE A 27 0.781 -20.117 5.062 1.00 61.13 H new ATOM 0 HG13 ILE A 27 1.605 -20.398 3.541 1.00 61.13 H new ATOM 0 HG21 ILE A 27 0.798 -19.357 1.451 1.00 55.34 H new ATOM 0 HG22 ILE A 27 -0.605 -18.263 1.474 1.00 55.34 H new ATOM 0 HG23 ILE A 27 0.951 -17.729 2.154 1.00 55.34 H new ATOM 0 HD11 ILE A 27 2.946 -18.975 5.014 1.00 54.21 H new ATOM 0 HD12 ILE A 27 2.455 -18.078 3.557 1.00 54.21 H new ATOM 0 HD13 ILE A 27 1.619 -17.793 5.102 1.00 54.21 H new ATOM 452 N GLY A 28 -3.240 -18.015 3.730 1.00 65.42 N ATOM 453 CA GLY A 28 -4.440 -17.570 3.042 1.00 14.03 C ATOM 454 C GLY A 28 -4.651 -16.066 3.089 1.00 31.51 C ATOM 455 O GLY A 28 -4.942 -15.448 2.066 1.00 20.04 O ATOM 0 H GLY A 28 -3.397 -18.738 4.432 1.00 65.42 H new ATOM 0 HA2 GLY A 28 -4.390 -17.888 2.001 1.00 14.03 H new ATOM 0 HA3 GLY A 28 -5.305 -18.063 3.485 1.00 14.03 H new ATOM 459 N THR A 29 -4.499 -15.468 4.265 1.00 13.24 N ATOM 460 CA THR A 29 -4.722 -14.033 4.408 1.00 22.32 C ATOM 461 C THR A 29 -3.580 -13.236 3.773 1.00 50.43 C ATOM 462 O THR A 29 -3.818 -12.217 3.122 1.00 20.22 O ATOM 463 CB THR A 29 -4.930 -13.615 5.887 1.00 24.23 C ATOM 464 OG1 THR A 29 -5.159 -12.200 5.980 1.00 70.30 O ATOM 465 CG2 THR A 29 -3.738 -13.995 6.754 1.00 32.04 C ATOM 0 H THR A 29 -4.226 -15.946 5.123 1.00 13.24 H new ATOM 0 HA THR A 29 -5.645 -13.800 3.876 1.00 22.32 H new ATOM 0 HB THR A 29 -5.804 -14.152 6.255 1.00 24.23 H new ATOM 0 HG1 THR A 29 -5.290 -11.951 6.919 1.00 70.30 H new ATOM 0 HG21 THR A 29 -3.923 -13.685 7.783 1.00 32.04 H new ATOM 0 HG22 THR A 29 -3.593 -15.075 6.721 1.00 32.04 H new ATOM 0 HG23 THR A 29 -2.843 -13.497 6.380 1.00 32.04 H new ATOM 473 N PHE A 30 -2.346 -13.704 3.953 1.00 44.02 N ATOM 474 CA PHE A 30 -1.190 -13.086 3.307 1.00 44.42 C ATOM 475 C PHE A 30 -1.324 -13.135 1.779 1.00 1.34 C ATOM 476 O PHE A 30 -1.257 -12.109 1.104 1.00 41.30 O ATOM 477 CB PHE A 30 0.093 -13.800 3.751 1.00 12.30 C ATOM 478 CG PHE A 30 1.358 -13.217 3.179 1.00 2.52 C ATOM 479 CD1 PHE A 30 1.833 -11.992 3.622 1.00 1.33 C ATOM 480 CD2 PHE A 30 2.075 -13.896 2.205 1.00 52.31 C ATOM 481 CE1 PHE A 30 2.998 -11.455 3.105 1.00 12.25 C ATOM 482 CE2 PHE A 30 3.239 -13.362 1.683 1.00 12.13 C ATOM 483 CZ PHE A 30 3.701 -12.140 2.134 1.00 35.41 C ATOM 0 H PHE A 30 -2.121 -14.508 4.540 1.00 44.02 H new ATOM 0 HA PHE A 30 -1.142 -12.039 3.607 1.00 44.42 H new ATOM 0 HB2 PHE A 30 0.153 -13.770 4.839 1.00 12.30 H new ATOM 0 HB3 PHE A 30 0.029 -14.849 3.464 1.00 12.30 H new ATOM 0 HD1 PHE A 30 1.287 -11.451 4.380 1.00 1.33 H new ATOM 0 HD2 PHE A 30 1.720 -14.852 1.850 1.00 52.31 H new ATOM 0 HE1 PHE A 30 3.358 -10.501 3.461 1.00 12.25 H new ATOM 0 HE2 PHE A 30 3.787 -13.900 0.923 1.00 12.13 H new ATOM 0 HZ PHE A 30 4.610 -11.722 1.728 1.00 35.41 H new ATOM 493 N ARG A 31 -1.555 -14.339 1.258 1.00 33.14 N ATOM 494 CA ARG A 31 -1.658 -14.586 -0.183 1.00 61.30 C ATOM 495 C ARG A 31 -2.845 -13.851 -0.803 1.00 30.02 C ATOM 496 O ARG A 31 -2.817 -13.486 -1.982 1.00 31.55 O ATOM 497 CB ARG A 31 -1.814 -16.089 -0.414 1.00 53.45 C ATOM 498 CG ARG A 31 -1.434 -16.561 -1.800 1.00 60.04 C ATOM 499 CD ARG A 31 -1.602 -18.066 -1.908 1.00 24.10 C ATOM 500 NE ARG A 31 -1.471 -18.549 -3.280 1.00 53.31 N ATOM 501 CZ ARG A 31 -1.402 -19.838 -3.603 1.00 60.32 C ATOM 502 NH1 ARG A 31 -1.389 -20.766 -2.650 1.00 2.42 N ATOM 503 NH2 ARG A 31 -1.350 -20.203 -4.875 1.00 3.11 N ATOM 0 H ARG A 31 -1.677 -15.177 1.826 1.00 33.14 H new ATOM 0 HA ARG A 31 -0.752 -14.212 -0.660 1.00 61.30 H new ATOM 0 HB2 ARG A 31 -1.202 -16.620 0.316 1.00 53.45 H new ATOM 0 HB3 ARG A 31 -2.851 -16.366 -0.223 1.00 53.45 H new ATOM 0 HG2 ARG A 31 -2.057 -16.064 -2.544 1.00 60.04 H new ATOM 0 HG3 ARG A 31 -0.401 -16.287 -2.014 1.00 60.04 H new ATOM 0 HD2 ARG A 31 -0.857 -18.557 -1.281 1.00 24.10 H new ATOM 0 HD3 ARG A 31 -2.581 -18.347 -1.520 1.00 24.10 H new ATOM 0 HE ARG A 31 -1.430 -17.861 -4.032 1.00 53.31 H new ATOM 0 HH11 ARG A 31 -1.432 -20.490 -1.669 1.00 2.42 H new ATOM 0 HH12 ARG A 31 -1.336 -21.753 -2.900 1.00 2.42 H new ATOM 0 HH21 ARG A 31 -1.363 -19.495 -5.610 1.00 3.11 H new ATOM 0 HH22 ARG A 31 -1.297 -21.192 -5.120 1.00 3.11 H new ATOM 517 N HIS A 32 -3.870 -13.624 0.012 1.00 62.34 N ATOM 518 CA HIS A 32 -5.124 -13.006 -0.424 1.00 22.33 C ATOM 519 C HIS A 32 -4.879 -11.685 -1.158 1.00 33.13 C ATOM 520 O HIS A 32 -5.611 -11.332 -2.080 1.00 24.33 O ATOM 521 CB HIS A 32 -6.019 -12.775 0.800 1.00 24.24 C ATOM 522 CG HIS A 32 -7.481 -12.633 0.497 1.00 62.42 C ATOM 523 ND1 HIS A 32 -8.365 -12.004 1.348 1.00 54.44 N ATOM 524 CD2 HIS A 32 -8.222 -13.075 -0.548 1.00 60.34 C ATOM 525 CE1 HIS A 32 -9.582 -12.071 0.843 1.00 73.10 C ATOM 526 NE2 HIS A 32 -9.525 -12.714 -0.307 1.00 2.44 N ATOM 0 H HIS A 32 -3.857 -13.865 1.003 1.00 62.34 H new ATOM 0 HA HIS A 32 -5.617 -13.679 -1.126 1.00 22.33 H new ATOM 0 HB2 HIS A 32 -5.886 -13.607 1.491 1.00 24.24 H new ATOM 0 HB3 HIS A 32 -5.681 -11.876 1.314 1.00 24.24 H new ATOM 0 HD2 HIS A 32 -7.856 -13.612 -1.411 1.00 60.34 H new ATOM 0 HE1 HIS A 32 -10.475 -11.667 1.296 1.00 73.10 H new ATOM 0 HE2 HIS A 32 -10.318 -12.911 -0.917 1.00 2.44 H new ATOM 535 N HIS A 33 -3.838 -10.970 -0.754 1.00 75.21 N ATOM 536 CA HIS A 33 -3.491 -9.690 -1.371 1.00 53.13 C ATOM 537 C HIS A 33 -1.993 -9.629 -1.649 1.00 41.41 C ATOM 538 O HIS A 33 -1.407 -8.554 -1.769 1.00 22.21 O ATOM 539 CB HIS A 33 -3.913 -8.524 -0.462 1.00 10.53 C ATOM 540 CG HIS A 33 -3.388 -8.629 0.938 1.00 41.11 C ATOM 541 ND1 HIS A 33 -4.164 -9.038 1.999 1.00 31.12 N ATOM 542 CD2 HIS A 33 -2.158 -8.387 1.448 1.00 23.41 C ATOM 543 CE1 HIS A 33 -3.435 -9.046 3.098 1.00 34.43 C ATOM 544 NE2 HIS A 33 -2.213 -8.654 2.791 1.00 62.13 N ATOM 0 H HIS A 33 -3.214 -11.253 0.002 1.00 75.21 H new ATOM 0 HA HIS A 33 -4.027 -9.603 -2.316 1.00 53.13 H new ATOM 0 HB2 HIS A 33 -3.566 -7.589 -0.901 1.00 10.53 H new ATOM 0 HB3 HIS A 33 -5.001 -8.476 -0.429 1.00 10.53 H new ATOM 0 HD2 HIS A 33 -1.293 -8.046 0.898 1.00 23.41 H new ATOM 0 HE1 HIS A 33 -3.780 -9.326 4.082 1.00 34.43 H new ATOM 0 HE2 HIS A 33 -1.436 -8.564 3.446 1.00 62.13 H new ATOM 553 N LYS A 34 -1.398 -10.803 -1.777 1.00 55.05 N ATOM 554 CA LYS A 34 0.048 -10.941 -1.897 1.00 12.42 C ATOM 555 C LYS A 34 0.530 -10.582 -3.302 1.00 5.43 C ATOM 556 O LYS A 34 1.548 -9.911 -3.472 1.00 24.22 O ATOM 557 CB LYS A 34 0.430 -12.382 -1.534 1.00 73.03 C ATOM 558 CG LYS A 34 1.919 -12.671 -1.502 1.00 60.45 C ATOM 559 CD LYS A 34 2.433 -13.154 -2.847 1.00 24.01 C ATOM 560 CE LYS A 34 3.846 -13.685 -2.728 1.00 22.32 C ATOM 561 NZ LYS A 34 4.402 -14.085 -4.047 1.00 73.22 N ATOM 0 H LYS A 34 -1.902 -11.689 -1.801 1.00 55.05 H new ATOM 0 HA LYS A 34 0.535 -10.246 -1.213 1.00 12.42 H new ATOM 0 HB2 LYS A 34 0.010 -12.616 -0.556 1.00 73.03 H new ATOM 0 HB3 LYS A 34 -0.039 -13.056 -2.251 1.00 73.03 H new ATOM 0 HG2 LYS A 34 2.457 -11.769 -1.211 1.00 60.45 H new ATOM 0 HG3 LYS A 34 2.126 -13.425 -0.743 1.00 60.45 H new ATOM 0 HD2 LYS A 34 1.778 -13.936 -3.231 1.00 24.01 H new ATOM 0 HD3 LYS A 34 2.408 -12.335 -3.566 1.00 24.01 H new ATOM 0 HE2 LYS A 34 4.484 -12.922 -2.282 1.00 22.32 H new ATOM 0 HE3 LYS A 34 3.856 -14.542 -2.055 1.00 22.32 H new ATOM 0 HZ1 LYS A 34 5.370 -14.443 -3.921 1.00 73.22 H new ATOM 0 HZ2 LYS A 34 3.808 -14.831 -4.462 1.00 73.22 H new ATOM 0 HZ3 LYS A 34 4.417 -13.261 -4.682 1.00 73.22 H new ATOM 575 N SER A 35 -0.216 -11.014 -4.303 1.00 25.31 N ATOM 576 CA SER A 35 0.193 -10.835 -5.686 1.00 40.53 C ATOM 577 C SER A 35 -0.234 -9.469 -6.216 1.00 64.34 C ATOM 578 O SER A 35 0.425 -8.899 -7.083 1.00 13.32 O ATOM 579 CB SER A 35 -0.414 -11.944 -6.545 1.00 72.54 C ATOM 580 OG SER A 35 -0.118 -13.221 -6.005 1.00 33.11 O ATOM 0 H SER A 35 -1.109 -11.492 -4.185 1.00 25.31 H new ATOM 0 HA SER A 35 1.281 -10.888 -5.734 1.00 40.53 H new ATOM 0 HB2 SER A 35 -1.494 -11.812 -6.606 1.00 72.54 H new ATOM 0 HB3 SER A 35 -0.026 -11.876 -7.561 1.00 72.54 H new ATOM 0 HG SER A 35 -0.517 -13.915 -6.569 1.00 33.11 H new ATOM 586 N CYS A 36 -1.328 -8.949 -5.668 1.00 51.02 N ATOM 587 CA CYS A 36 -1.936 -7.708 -6.146 1.00 24.31 C ATOM 588 C CYS A 36 -0.928 -6.565 -6.204 1.00 54.31 C ATOM 589 O CYS A 36 -0.631 -6.031 -7.274 1.00 23.30 O ATOM 590 CB CYS A 36 -3.085 -7.310 -5.218 1.00 64.33 C ATOM 591 SG CYS A 36 -4.230 -6.101 -5.923 1.00 42.35 S ATOM 0 H CYS A 36 -1.819 -9.374 -4.881 1.00 51.02 H new ATOM 0 HA CYS A 36 -2.303 -7.890 -7.156 1.00 24.31 H new ATOM 0 HB2 CYS A 36 -3.643 -8.206 -4.946 1.00 64.33 H new ATOM 0 HB3 CYS A 36 -2.668 -6.903 -4.297 1.00 64.33 H new ATOM 0 HG CYS A 36 -5.451 -6.524 -5.778 1.00 42.35 H new ATOM 597 N MET A 37 -0.407 -6.206 -5.042 1.00 43.50 N ATOM 598 CA MET A 37 0.473 -5.043 -4.910 1.00 24.43 C ATOM 599 C MET A 37 1.752 -5.182 -5.743 1.00 5.54 C ATOM 600 O MET A 37 2.259 -4.196 -6.283 1.00 21.35 O ATOM 601 CB MET A 37 0.803 -4.796 -3.431 1.00 72.45 C ATOM 602 CG MET A 37 1.631 -5.894 -2.774 1.00 15.40 C ATOM 603 SD MET A 37 3.394 -5.509 -2.736 1.00 73.51 S ATOM 604 CE MET A 37 3.401 -4.111 -1.617 1.00 21.43 C ATOM 0 H MET A 37 -0.576 -6.703 -4.168 1.00 43.50 H new ATOM 0 HA MET A 37 -0.062 -4.179 -5.303 1.00 24.43 H new ATOM 0 HB2 MET A 37 1.342 -3.852 -3.345 1.00 72.45 H new ATOM 0 HB3 MET A 37 -0.130 -4.682 -2.878 1.00 72.45 H new ATOM 0 HG2 MET A 37 1.276 -6.051 -1.756 1.00 15.40 H new ATOM 0 HG3 MET A 37 1.479 -6.829 -3.313 1.00 15.40 H new ATOM 0 HE1 MET A 37 4.253 -4.190 -0.941 1.00 21.43 H new ATOM 0 HE2 MET A 37 3.477 -3.187 -2.190 1.00 21.43 H new ATOM 0 HE3 MET A 37 2.478 -4.104 -1.038 1.00 21.43 H new ATOM 614 N ARG A 38 2.260 -6.402 -5.863 1.00 51.12 N ATOM 615 CA ARG A 38 3.486 -6.650 -6.607 1.00 44.13 C ATOM 616 C ARG A 38 3.244 -6.651 -8.114 1.00 33.20 C ATOM 617 O ARG A 38 4.144 -6.333 -8.894 1.00 44.01 O ATOM 618 CB ARG A 38 4.092 -7.984 -6.182 1.00 54.31 C ATOM 619 CG ARG A 38 4.801 -7.940 -4.836 1.00 12.12 C ATOM 620 CD ARG A 38 6.000 -7.000 -4.864 1.00 43.12 C ATOM 621 NE ARG A 38 6.770 -7.055 -3.620 1.00 11.11 N ATOM 622 CZ ARG A 38 8.060 -6.717 -3.521 1.00 53.32 C ATOM 623 NH1 ARG A 38 8.702 -6.196 -4.563 1.00 71.14 N ATOM 624 NH2 ARG A 38 8.704 -6.879 -2.370 1.00 24.11 N ATOM 0 H ARG A 38 1.840 -7.236 -5.453 1.00 51.12 H new ATOM 0 HA ARG A 38 4.180 -5.840 -6.380 1.00 44.13 H new ATOM 0 HB2 ARG A 38 3.302 -8.734 -6.141 1.00 54.31 H new ATOM 0 HB3 ARG A 38 4.800 -8.309 -6.944 1.00 54.31 H new ATOM 0 HG2 ARG A 38 4.101 -7.615 -4.066 1.00 12.12 H new ATOM 0 HG3 ARG A 38 5.131 -8.943 -4.565 1.00 12.12 H new ATOM 0 HD2 ARG A 38 6.646 -7.262 -5.702 1.00 43.12 H new ATOM 0 HD3 ARG A 38 5.657 -5.979 -5.033 1.00 43.12 H new ATOM 0 HE ARG A 38 6.293 -7.371 -2.776 1.00 11.11 H new ATOM 0 HH11 ARG A 38 8.210 -6.052 -5.445 1.00 71.14 H new ATOM 0 HH12 ARG A 38 9.686 -5.941 -4.480 1.00 71.14 H new ATOM 0 HH21 ARG A 38 8.214 -7.261 -1.561 1.00 24.11 H new ATOM 0 HH22 ARG A 38 9.688 -6.621 -2.295 1.00 24.11 H new ATOM 638 N LYS A 39 2.021 -6.981 -8.516 1.00 73.14 N ATOM 639 CA LYS A 39 1.679 -7.148 -9.920 1.00 44.42 C ATOM 640 C LYS A 39 1.677 -5.806 -10.662 1.00 73.12 C ATOM 641 O LYS A 39 1.657 -5.764 -11.893 1.00 32.53 O ATOM 642 CB LYS A 39 0.321 -7.867 -10.014 1.00 53.41 C ATOM 643 CG LYS A 39 -0.265 -7.964 -11.411 1.00 22.01 C ATOM 644 CD LYS A 39 -1.300 -6.876 -11.640 1.00 2.54 C ATOM 645 CE LYS A 39 -2.552 -7.115 -10.810 1.00 25.31 C ATOM 646 NZ LYS A 39 -3.274 -8.349 -11.227 1.00 13.42 N ATOM 0 H LYS A 39 1.242 -7.139 -7.877 1.00 73.14 H new ATOM 0 HA LYS A 39 2.436 -7.759 -10.411 1.00 44.42 H new ATOM 0 HB2 LYS A 39 0.433 -8.875 -9.614 1.00 53.41 H new ATOM 0 HB3 LYS A 39 -0.392 -7.347 -9.374 1.00 53.41 H new ATOM 0 HG2 LYS A 39 0.531 -7.876 -12.151 1.00 22.01 H new ATOM 0 HG3 LYS A 39 -0.723 -8.943 -11.551 1.00 22.01 H new ATOM 0 HD2 LYS A 39 -0.873 -5.906 -11.385 1.00 2.54 H new ATOM 0 HD3 LYS A 39 -1.564 -6.840 -12.697 1.00 2.54 H new ATOM 0 HE2 LYS A 39 -2.279 -7.193 -9.758 1.00 25.31 H new ATOM 0 HE3 LYS A 39 -3.218 -6.257 -10.904 1.00 25.31 H new ATOM 0 HZ1 LYS A 39 -4.239 -8.335 -10.839 1.00 13.42 H new ATOM 0 HZ2 LYS A 39 -3.319 -8.391 -12.265 1.00 13.42 H new ATOM 0 HZ3 LYS A 39 -2.769 -9.185 -10.869 1.00 13.42 H new ATOM 660 N PHE A 40 1.733 -4.708 -9.911 1.00 53.23 N ATOM 661 CA PHE A 40 1.819 -3.381 -10.515 1.00 61.24 C ATOM 662 C PHE A 40 3.133 -3.250 -11.297 1.00 34.41 C ATOM 663 O PHE A 40 3.251 -2.434 -12.216 1.00 42.21 O ATOM 664 CB PHE A 40 1.722 -2.297 -9.437 1.00 21.05 C ATOM 665 CG PHE A 40 1.218 -0.973 -9.951 1.00 32.14 C ATOM 666 CD1 PHE A 40 2.059 -0.105 -10.626 1.00 70.35 C ATOM 667 CD2 PHE A 40 -0.101 -0.599 -9.754 1.00 53.11 C ATOM 668 CE1 PHE A 40 1.597 1.111 -11.094 1.00 11.12 C ATOM 669 CE2 PHE A 40 -0.570 0.614 -10.220 1.00 63.22 C ATOM 670 CZ PHE A 40 0.280 1.470 -10.892 1.00 33.14 C ATOM 0 H PHE A 40 1.720 -4.710 -8.891 1.00 53.23 H new ATOM 0 HA PHE A 40 0.986 -3.250 -11.205 1.00 61.24 H new ATOM 0 HB2 PHE A 40 1.060 -2.644 -8.644 1.00 21.05 H new ATOM 0 HB3 PHE A 40 2.706 -2.152 -8.990 1.00 21.05 H new ATOM 0 HD1 PHE A 40 3.090 -0.382 -10.789 1.00 70.35 H new ATOM 0 HD2 PHE A 40 -0.771 -1.264 -9.230 1.00 53.11 H new ATOM 0 HE1 PHE A 40 2.266 1.779 -11.617 1.00 11.12 H new ATOM 0 HE2 PHE A 40 -1.601 0.893 -10.059 1.00 63.22 H new ATOM 0 HZ PHE A 40 -0.085 2.418 -11.259 1.00 33.14 H new ATOM 680 N LYS A 41 4.109 -4.080 -10.916 1.00 24.10 N ATOM 681 CA LYS A 41 5.388 -4.203 -11.622 1.00 71.32 C ATOM 682 C LYS A 41 6.268 -2.958 -11.438 1.00 75.50 C ATOM 683 O LYS A 41 7.108 -2.639 -12.280 1.00 64.14 O ATOM 684 CB LYS A 41 5.155 -4.499 -13.113 1.00 72.44 C ATOM 685 CG LYS A 41 6.401 -4.972 -13.852 1.00 42.15 C ATOM 686 CD LYS A 41 6.931 -6.275 -13.277 1.00 25.03 C ATOM 687 CE LYS A 41 8.277 -6.646 -13.878 1.00 33.32 C ATOM 688 NZ LYS A 41 8.222 -6.765 -15.358 1.00 74.52 N ATOM 0 H LYS A 41 4.033 -4.690 -10.102 1.00 24.10 H new ATOM 0 HA LYS A 41 5.927 -5.042 -11.182 1.00 71.32 H new ATOM 0 HB2 LYS A 41 4.380 -5.259 -13.205 1.00 72.44 H new ATOM 0 HB3 LYS A 41 4.778 -3.598 -13.597 1.00 72.44 H new ATOM 0 HG2 LYS A 41 6.169 -5.107 -14.908 1.00 42.15 H new ATOM 0 HG3 LYS A 41 7.174 -4.206 -13.791 1.00 42.15 H new ATOM 0 HD2 LYS A 41 7.028 -6.183 -12.195 1.00 25.03 H new ATOM 0 HD3 LYS A 41 6.215 -7.075 -13.466 1.00 25.03 H new ATOM 0 HE2 LYS A 41 9.015 -5.892 -13.604 1.00 33.32 H new ATOM 0 HE3 LYS A 41 8.614 -7.591 -13.452 1.00 33.32 H new ATOM 0 HZ1 LYS A 41 9.140 -7.101 -15.714 1.00 74.52 H new ATOM 0 HZ2 LYS A 41 7.478 -7.441 -15.624 1.00 74.52 H new ATOM 0 HZ3 LYS A 41 8.009 -5.836 -15.773 1.00 74.52 H new ATOM 702 N GLU A 42 6.092 -2.270 -10.321 1.00 60.12 N ATOM 703 CA GLU A 42 6.967 -1.158 -9.977 1.00 25.10 C ATOM 704 C GLU A 42 8.283 -1.692 -9.431 1.00 71.50 C ATOM 705 O GLU A 42 8.306 -2.714 -8.740 1.00 64.12 O ATOM 706 CB GLU A 42 6.298 -0.246 -8.954 1.00 1.42 C ATOM 707 CG GLU A 42 5.095 0.497 -9.502 1.00 42.51 C ATOM 708 CD GLU A 42 5.462 1.457 -10.617 1.00 0.43 C ATOM 709 OE1 GLU A 42 5.569 1.016 -11.783 1.00 73.41 O ATOM 710 OE2 GLU A 42 5.640 2.660 -10.334 1.00 61.33 O ATOM 0 H GLU A 42 5.356 -2.459 -9.640 1.00 60.12 H new ATOM 0 HA GLU A 42 7.165 -0.573 -10.875 1.00 25.10 H new ATOM 0 HB2 GLU A 42 5.987 -0.842 -8.096 1.00 1.42 H new ATOM 0 HB3 GLU A 42 7.028 0.478 -8.592 1.00 1.42 H new ATOM 0 HG2 GLU A 42 4.366 -0.223 -9.873 1.00 42.51 H new ATOM 0 HG3 GLU A 42 4.615 1.050 -8.695 1.00 42.51 H new ATOM 717 N TYR A 43 9.374 -1.009 -9.745 1.00 63.21 N ATOM 718 CA TYR A 43 10.698 -1.482 -9.367 1.00 51.22 C ATOM 719 C TYR A 43 11.099 -0.948 -7.999 1.00 42.20 C ATOM 720 O TYR A 43 11.113 -1.684 -7.007 1.00 31.41 O ATOM 721 CB TYR A 43 11.736 -1.071 -10.417 1.00 43.11 C ATOM 722 CG TYR A 43 11.383 -1.499 -11.825 1.00 31.05 C ATOM 723 CD1 TYR A 43 11.258 -2.843 -12.154 1.00 10.31 C ATOM 724 CD2 TYR A 43 11.178 -0.558 -12.825 1.00 53.13 C ATOM 725 CE1 TYR A 43 10.940 -3.235 -13.439 1.00 42.21 C ATOM 726 CE2 TYR A 43 10.858 -0.942 -14.113 1.00 64.11 C ATOM 727 CZ TYR A 43 10.740 -2.281 -14.414 1.00 1.20 C ATOM 728 OH TYR A 43 10.425 -2.672 -15.698 1.00 60.35 O ATOM 0 H TYR A 43 9.369 -0.128 -10.259 1.00 63.21 H new ATOM 0 HA TYR A 43 10.662 -2.570 -9.314 1.00 51.22 H new ATOM 0 HB2 TYR A 43 11.852 0.013 -10.395 1.00 43.11 H new ATOM 0 HB3 TYR A 43 12.701 -1.500 -10.148 1.00 43.11 H new ATOM 0 HD1 TYR A 43 11.412 -3.593 -11.392 1.00 10.31 H new ATOM 0 HD2 TYR A 43 11.270 0.493 -12.592 1.00 53.13 H new ATOM 0 HE1 TYR A 43 10.848 -4.284 -13.679 1.00 42.21 H new ATOM 0 HE2 TYR A 43 10.701 -0.197 -14.879 1.00 64.11 H new ATOM 0 HH TYR A 43 10.315 -1.879 -16.264 1.00 60.35 H new ATOM 738 N CYS A 44 11.429 0.334 -7.944 1.00 32.43 N ATOM 739 CA CYS A 44 11.851 0.955 -6.700 1.00 33.44 C ATOM 740 C CYS A 44 11.372 2.399 -6.622 1.00 0.32 C ATOM 741 O CYS A 44 12.077 3.322 -7.040 1.00 73.40 O ATOM 742 CB CYS A 44 13.377 0.899 -6.566 1.00 64.05 C ATOM 743 SG CYS A 44 14.057 -0.777 -6.606 1.00 12.40 S ATOM 0 H CYS A 44 11.412 0.963 -8.747 1.00 32.43 H new ATOM 0 HA CYS A 44 11.403 0.399 -5.876 1.00 33.44 H new ATOM 0 HB2 CYS A 44 13.824 1.481 -7.372 1.00 64.05 H new ATOM 0 HB3 CYS A 44 13.667 1.376 -5.630 1.00 64.05 H new ATOM 0 HG CYS A 44 13.085 -1.638 -6.668 1.00 12.40 H new ATOM 749 N GLU A 45 10.157 2.593 -6.127 1.00 70.11 N ATOM 750 CA GLU A 45 9.631 3.933 -5.940 1.00 54.32 C ATOM 751 C GLU A 45 10.046 4.482 -4.571 1.00 54.42 C ATOM 752 O GLU A 45 9.638 3.976 -3.524 1.00 25.12 O ATOM 753 CB GLU A 45 8.099 3.969 -6.134 1.00 31.43 C ATOM 754 CG GLU A 45 7.265 3.282 -5.055 1.00 35.31 C ATOM 755 CD GLU A 45 7.436 1.776 -4.996 1.00 54.52 C ATOM 756 OE1 GLU A 45 7.553 1.140 -6.061 1.00 65.32 O ATOM 757 OE2 GLU A 45 7.431 1.217 -3.881 1.00 53.22 O ATOM 0 H GLU A 45 9.523 1.843 -5.850 1.00 70.11 H new ATOM 0 HA GLU A 45 10.060 4.581 -6.704 1.00 54.32 H new ATOM 0 HB2 GLU A 45 7.786 5.011 -6.196 1.00 31.43 H new ATOM 0 HB3 GLU A 45 7.865 3.508 -7.093 1.00 31.43 H new ATOM 0 HG2 GLU A 45 7.529 3.704 -4.085 1.00 35.31 H new ATOM 0 HG3 GLU A 45 6.213 3.510 -5.226 1.00 35.31 H new ATOM 764 N GLY A 46 10.890 5.505 -4.588 1.00 33.43 N ATOM 765 CA GLY A 46 11.380 6.090 -3.354 1.00 64.11 C ATOM 766 C GLY A 46 10.924 7.523 -3.190 1.00 22.12 C ATOM 767 O GLY A 46 11.727 8.453 -3.280 1.00 13.11 O ATOM 0 H GLY A 46 11.246 5.942 -5.438 1.00 33.43 H new ATOM 0 HA2 GLY A 46 11.030 5.499 -2.508 1.00 64.11 H new ATOM 0 HA3 GLY A 46 12.469 6.052 -3.341 1.00 64.11 H new ATOM 771 N LEU A 47 9.635 7.694 -2.956 1.00 51.20 N ATOM 772 CA LEU A 47 9.037 9.017 -2.836 1.00 61.34 C ATOM 773 C LEU A 47 8.907 9.451 -1.378 1.00 30.31 C ATOM 774 O LEU A 47 9.011 8.630 -0.466 1.00 14.31 O ATOM 775 CB LEU A 47 7.689 9.072 -3.600 1.00 34.33 C ATOM 776 CG LEU A 47 6.475 8.285 -3.036 1.00 0.03 C ATOM 777 CD1 LEU A 47 6.791 6.809 -2.858 1.00 12.24 C ATOM 778 CD2 LEU A 47 5.952 8.879 -1.737 1.00 54.41 C ATOM 0 H LEU A 47 8.974 6.925 -2.844 1.00 51.20 H new ATOM 0 HA LEU A 47 9.706 9.740 -3.303 1.00 61.34 H new ATOM 0 HB2 LEU A 47 7.396 10.119 -3.677 1.00 34.33 H new ATOM 0 HB3 LEU A 47 7.870 8.716 -4.614 1.00 34.33 H new ATOM 0 HG LEU A 47 5.684 8.375 -3.780 1.00 0.03 H new ATOM 0 HD11 LEU A 47 5.916 6.295 -2.462 1.00 12.24 H new ATOM 0 HD12 LEU A 47 7.061 6.376 -3.821 1.00 12.24 H new ATOM 0 HD13 LEU A 47 7.623 6.696 -2.163 1.00 12.24 H new ATOM 0 HD21 LEU A 47 5.104 8.292 -1.384 1.00 54.41 H new ATOM 0 HD22 LEU A 47 6.742 8.863 -0.986 1.00 54.41 H new ATOM 0 HD23 LEU A 47 5.635 9.908 -1.909 1.00 54.41 H new ATOM 790 N GLN A 48 8.681 10.747 -1.163 1.00 32.04 N ATOM 791 CA GLN A 48 8.658 11.309 0.175 1.00 64.14 C ATOM 792 C GLN A 48 7.300 11.921 0.526 1.00 34.00 C ATOM 793 O GLN A 48 6.301 11.677 -0.149 1.00 42.22 O ATOM 794 CB GLN A 48 9.765 12.352 0.312 1.00 31.22 C ATOM 795 CG GLN A 48 11.163 11.762 0.242 1.00 55.25 C ATOM 796 CD GLN A 48 11.375 10.657 1.257 1.00 70.33 C ATOM 797 OE1 GLN A 48 10.796 10.673 2.346 1.00 31.41 O ATOM 798 NE2 GLN A 48 12.196 9.684 0.904 1.00 5.44 N ATOM 0 H GLN A 48 8.511 11.425 -1.906 1.00 32.04 H new ATOM 0 HA GLN A 48 8.829 10.495 0.880 1.00 64.14 H new ATOM 0 HB2 GLN A 48 9.653 13.096 -0.477 1.00 31.22 H new ATOM 0 HB3 GLN A 48 9.646 12.874 1.261 1.00 31.22 H new ATOM 0 HG2 GLN A 48 11.339 11.370 -0.760 1.00 55.25 H new ATOM 0 HG3 GLN A 48 11.896 12.551 0.409 1.00 55.25 H new ATOM 0 HE21 GLN A 48 12.655 9.709 -0.007 1.00 5.44 H new ATOM 0 HE22 GLN A 48 12.371 8.908 1.542 1.00 5.44 H new ATOM 807 N PHE A 49 7.294 12.731 1.585 1.00 71.33 N ATOM 808 CA PHE A 49 6.063 13.218 2.215 1.00 22.55 C ATOM 809 C PHE A 49 5.132 13.956 1.250 1.00 43.13 C ATOM 810 O PHE A 49 3.923 13.746 1.273 1.00 1.41 O ATOM 811 CB PHE A 49 6.402 14.120 3.413 1.00 0.22 C ATOM 812 CG PHE A 49 7.032 15.442 3.056 1.00 51.51 C ATOM 813 CD1 PHE A 49 8.365 15.515 2.685 1.00 41.03 C ATOM 814 CD2 PHE A 49 6.288 16.612 3.099 1.00 13.35 C ATOM 815 CE1 PHE A 49 8.943 16.727 2.364 1.00 32.41 C ATOM 816 CE2 PHE A 49 6.862 17.826 2.777 1.00 33.42 C ATOM 817 CZ PHE A 49 8.190 17.885 2.410 1.00 44.34 C ATOM 0 H PHE A 49 8.145 13.070 2.033 1.00 71.33 H new ATOM 0 HA PHE A 49 5.521 12.334 2.552 1.00 22.55 H new ATOM 0 HB2 PHE A 49 5.488 14.310 3.976 1.00 0.22 H new ATOM 0 HB3 PHE A 49 7.078 13.580 4.076 1.00 0.22 H new ATOM 0 HD1 PHE A 49 8.959 14.614 2.646 1.00 41.03 H new ATOM 0 HD2 PHE A 49 5.248 16.573 3.388 1.00 13.35 H new ATOM 0 HE1 PHE A 49 9.983 16.770 2.077 1.00 32.41 H new ATOM 0 HE2 PHE A 49 6.271 18.729 2.813 1.00 33.42 H new ATOM 0 HZ PHE A 49 8.641 18.834 2.159 1.00 44.34 H new ATOM 827 N HIS A 50 5.680 14.820 0.409 1.00 51.54 N ATOM 828 CA HIS A 50 4.842 15.627 -0.472 1.00 43.44 C ATOM 829 C HIS A 50 4.393 14.813 -1.680 1.00 4.52 C ATOM 830 O HIS A 50 3.443 15.181 -2.374 1.00 43.33 O ATOM 831 CB HIS A 50 5.569 16.901 -0.917 1.00 44.50 C ATOM 832 CG HIS A 50 4.679 17.882 -1.625 1.00 63.42 C ATOM 833 ND1 HIS A 50 4.929 18.344 -2.898 1.00 74.22 N ATOM 834 CD2 HIS A 50 3.527 18.479 -1.231 1.00 24.34 C ATOM 835 CE1 HIS A 50 3.972 19.179 -3.258 1.00 34.24 C ATOM 836 NE2 HIS A 50 3.108 19.280 -2.264 1.00 12.21 N ATOM 0 H HIS A 50 6.683 14.981 0.316 1.00 51.54 H new ATOM 0 HA HIS A 50 3.958 15.927 0.090 1.00 43.44 H new ATOM 0 HB2 HIS A 50 6.007 17.384 -0.043 1.00 44.50 H new ATOM 0 HB3 HIS A 50 6.393 16.628 -1.576 1.00 44.50 H new ATOM 0 HD2 HIS A 50 3.031 18.348 -0.281 1.00 24.34 H new ATOM 0 HE1 HIS A 50 3.907 19.693 -4.206 1.00 34.24 H new ATOM 0 HE2 HIS A 50 2.268 19.858 -2.264 1.00 12.21 H new ATOM 845 N GLU A 51 5.068 13.702 -1.924 1.00 53.44 N ATOM 846 CA GLU A 51 4.676 12.807 -2.998 1.00 34.21 C ATOM 847 C GLU A 51 3.570 11.885 -2.511 1.00 11.42 C ATOM 848 O GLU A 51 2.623 11.597 -3.240 1.00 32.11 O ATOM 849 CB GLU A 51 5.861 11.983 -3.504 1.00 25.34 C ATOM 850 CG GLU A 51 6.897 12.781 -4.281 1.00 5.15 C ATOM 851 CD GLU A 51 7.604 13.817 -3.440 1.00 42.42 C ATOM 852 OE1 GLU A 51 8.359 13.432 -2.526 1.00 73.04 O ATOM 853 OE2 GLU A 51 7.407 15.026 -3.686 1.00 44.02 O ATOM 0 H GLU A 51 5.886 13.400 -1.395 1.00 53.44 H new ATOM 0 HA GLU A 51 4.314 13.411 -3.830 1.00 34.21 H new ATOM 0 HB2 GLU A 51 6.349 11.510 -2.652 1.00 25.34 H new ATOM 0 HB3 GLU A 51 5.485 11.182 -4.141 1.00 25.34 H new ATOM 0 HG2 GLU A 51 7.635 12.096 -4.699 1.00 5.15 H new ATOM 0 HG3 GLU A 51 6.410 13.276 -5.121 1.00 5.15 H new ATOM 860 N LEU A 52 3.686 11.438 -1.266 1.00 53.25 N ATOM 861 CA LEU A 52 2.665 10.595 -0.667 1.00 25.43 C ATOM 862 C LEU A 52 1.547 11.468 -0.115 1.00 70.31 C ATOM 863 O LEU A 52 1.525 11.812 1.067 1.00 13.43 O ATOM 864 CB LEU A 52 3.257 9.712 0.441 1.00 31.12 C ATOM 865 CG LEU A 52 2.540 8.376 0.686 1.00 2.34 C ATOM 866 CD1 LEU A 52 1.097 8.589 1.114 1.00 5.42 C ATOM 867 CD2 LEU A 52 2.602 7.503 -0.557 1.00 22.54 C ATOM 0 H LEU A 52 4.476 11.646 -0.655 1.00 53.25 H new ATOM 0 HA LEU A 52 2.261 9.934 -1.434 1.00 25.43 H new ATOM 0 HB2 LEU A 52 4.299 9.504 0.196 1.00 31.12 H new ATOM 0 HB3 LEU A 52 3.255 10.280 1.372 1.00 31.12 H new ATOM 0 HG LEU A 52 3.056 7.866 1.499 1.00 2.34 H new ATOM 0 HD11 LEU A 52 0.620 7.623 1.279 1.00 5.42 H new ATOM 0 HD12 LEU A 52 1.073 9.168 2.037 1.00 5.42 H new ATOM 0 HD13 LEU A 52 0.562 9.129 0.333 1.00 5.42 H new ATOM 0 HD21 LEU A 52 2.089 6.560 -0.366 1.00 22.54 H new ATOM 0 HD22 LEU A 52 2.118 8.017 -1.387 1.00 22.54 H new ATOM 0 HD23 LEU A 52 3.643 7.304 -0.811 1.00 22.54 H new ATOM 879 N THR A 53 0.637 11.844 -0.988 1.00 50.14 N ATOM 880 CA THR A 53 -0.474 12.693 -0.618 1.00 63.44 C ATOM 881 C THR A 53 -1.783 12.081 -1.094 1.00 61.35 C ATOM 882 O THR A 53 -1.775 11.060 -1.785 1.00 62.41 O ATOM 883 CB THR A 53 -0.301 14.103 -1.219 1.00 15.53 C ATOM 884 OG1 THR A 53 0.222 14.006 -2.555 1.00 44.51 O ATOM 885 CG2 THR A 53 0.629 14.952 -0.363 1.00 61.22 C ATOM 0 H THR A 53 0.647 11.571 -1.971 1.00 50.14 H new ATOM 0 HA THR A 53 -0.497 12.778 0.468 1.00 63.44 H new ATOM 0 HB THR A 53 -1.279 14.584 -1.245 1.00 15.53 H new ATOM 0 HG1 THR A 53 0.328 14.905 -2.931 1.00 44.51 H new ATOM 0 HG21 THR A 53 0.733 15.941 -0.810 1.00 61.22 H new ATOM 0 HG22 THR A 53 0.213 15.049 0.640 1.00 61.22 H new ATOM 0 HG23 THR A 53 1.607 14.475 -0.306 1.00 61.22 H new ATOM 893 N GLU A 54 -2.898 12.699 -0.719 1.00 3.02 N ATOM 894 CA GLU A 54 -4.215 12.251 -1.163 1.00 70.42 C ATOM 895 C GLU A 54 -4.264 12.206 -2.688 1.00 14.41 C ATOM 896 O GLU A 54 -4.795 11.265 -3.277 1.00 73.34 O ATOM 897 CB GLU A 54 -5.299 13.180 -0.591 1.00 14.15 C ATOM 898 CG GLU A 54 -6.702 12.937 -1.130 1.00 71.44 C ATOM 899 CD GLU A 54 -7.015 13.793 -2.342 1.00 53.41 C ATOM 900 OE1 GLU A 54 -7.021 15.035 -2.203 1.00 43.31 O ATOM 901 OE2 GLU A 54 -7.265 13.238 -3.427 1.00 1.45 O ATOM 0 H GLU A 54 -2.917 13.514 -0.107 1.00 3.02 H new ATOM 0 HA GLU A 54 -4.404 11.243 -0.794 1.00 70.42 H new ATOM 0 HB2 GLU A 54 -5.318 13.068 0.493 1.00 14.15 H new ATOM 0 HB3 GLU A 54 -5.019 14.213 -0.800 1.00 14.15 H new ATOM 0 HG2 GLU A 54 -6.809 11.885 -1.395 1.00 71.44 H new ATOM 0 HG3 GLU A 54 -7.430 13.144 -0.345 1.00 71.44 H new ATOM 908 N ASP A 55 -3.667 13.218 -3.311 1.00 41.23 N ATOM 909 CA ASP A 55 -3.569 13.294 -4.764 1.00 25.44 C ATOM 910 C ASP A 55 -2.903 12.048 -5.341 1.00 45.33 C ATOM 911 O ASP A 55 -3.323 11.535 -6.375 1.00 14.34 O ATOM 912 CB ASP A 55 -2.782 14.542 -5.167 1.00 34.15 C ATOM 913 CG ASP A 55 -2.557 14.633 -6.663 1.00 3.23 C ATOM 914 OD1 ASP A 55 -3.511 14.974 -7.393 1.00 63.25 O ATOM 915 OD2 ASP A 55 -1.423 14.369 -7.116 1.00 11.44 O ATOM 0 H ASP A 55 -3.239 14.006 -2.824 1.00 41.23 H new ATOM 0 HA ASP A 55 -4.579 13.354 -5.169 1.00 25.44 H new ATOM 0 HB2 ASP A 55 -3.318 15.429 -4.830 1.00 34.15 H new ATOM 0 HB3 ASP A 55 -1.818 14.539 -4.658 1.00 34.15 H new ATOM 920 N PHE A 56 -1.879 11.552 -4.655 1.00 44.33 N ATOM 921 CA PHE A 56 -1.156 10.367 -5.105 1.00 53.35 C ATOM 922 C PHE A 56 -2.037 9.126 -4.998 1.00 31.35 C ATOM 923 O PHE A 56 -2.125 8.337 -5.937 1.00 12.13 O ATOM 924 CB PHE A 56 0.121 10.171 -4.285 1.00 64.11 C ATOM 925 CG PHE A 56 0.942 8.987 -4.716 1.00 41.55 C ATOM 926 CD1 PHE A 56 1.810 9.085 -5.791 1.00 13.52 C ATOM 927 CD2 PHE A 56 0.849 7.775 -4.045 1.00 33.45 C ATOM 928 CE1 PHE A 56 2.571 8.001 -6.189 1.00 24.31 C ATOM 929 CE2 PHE A 56 1.607 6.688 -4.440 1.00 1.13 C ATOM 930 CZ PHE A 56 2.470 6.801 -5.512 1.00 33.25 C ATOM 0 H PHE A 56 -1.530 11.952 -3.784 1.00 44.33 H new ATOM 0 HA PHE A 56 -0.884 10.515 -6.150 1.00 53.35 H new ATOM 0 HB2 PHE A 56 0.731 11.071 -4.359 1.00 64.11 H new ATOM 0 HB3 PHE A 56 -0.147 10.053 -3.235 1.00 64.11 H new ATOM 0 HD1 PHE A 56 1.894 10.020 -6.325 1.00 13.52 H new ATOM 0 HD2 PHE A 56 0.177 7.680 -3.205 1.00 33.45 H new ATOM 0 HE1 PHE A 56 3.244 8.093 -7.029 1.00 24.31 H new ATOM 0 HE2 PHE A 56 1.524 5.751 -3.910 1.00 1.13 H new ATOM 0 HZ PHE A 56 3.064 5.954 -5.820 1.00 33.25 H new ATOM 940 N LEU A 57 -2.682 8.963 -3.846 1.00 24.41 N ATOM 941 CA LEU A 57 -3.599 7.851 -3.623 1.00 1.01 C ATOM 942 C LEU A 57 -4.713 7.866 -4.661 1.00 22.45 C ATOM 943 O LEU A 57 -5.072 6.829 -5.222 1.00 3.33 O ATOM 944 CB LEU A 57 -4.192 7.921 -2.210 1.00 64.44 C ATOM 945 CG LEU A 57 -3.326 7.333 -1.085 1.00 14.45 C ATOM 946 CD1 LEU A 57 -3.155 5.834 -1.269 1.00 3.50 C ATOM 947 CD2 LEU A 57 -1.968 8.012 -1.015 1.00 42.34 C ATOM 0 H LEU A 57 -2.585 9.592 -3.049 1.00 24.41 H new ATOM 0 HA LEU A 57 -3.042 6.919 -3.722 1.00 1.01 H new ATOM 0 HB2 LEU A 57 -4.397 8.965 -1.975 1.00 64.44 H new ATOM 0 HB3 LEU A 57 -5.150 7.401 -2.213 1.00 64.44 H new ATOM 0 HG LEU A 57 -3.842 7.516 -0.143 1.00 14.45 H new ATOM 0 HD11 LEU A 57 -2.539 5.436 -0.463 1.00 3.50 H new ATOM 0 HD12 LEU A 57 -4.132 5.351 -1.251 1.00 3.50 H new ATOM 0 HD13 LEU A 57 -2.671 5.638 -2.226 1.00 3.50 H new ATOM 0 HD21 LEU A 57 -1.382 7.571 -0.208 1.00 42.34 H new ATOM 0 HD22 LEU A 57 -1.444 7.875 -1.961 1.00 42.34 H new ATOM 0 HD23 LEU A 57 -2.103 9.077 -0.825 1.00 42.34 H new ATOM 959 N ARG A 58 -5.237 9.053 -4.924 1.00 42.43 N ATOM 960 CA ARG A 58 -6.290 9.228 -5.907 1.00 42.13 C ATOM 961 C ARG A 58 -5.775 8.911 -7.309 1.00 50.24 C ATOM 962 O ARG A 58 -6.406 8.165 -8.056 1.00 61.21 O ATOM 963 CB ARG A 58 -6.823 10.660 -5.848 1.00 53.11 C ATOM 964 CG ARG A 58 -8.025 10.902 -6.740 1.00 14.25 C ATOM 965 CD ARG A 58 -8.530 12.331 -6.619 1.00 52.03 C ATOM 966 NE ARG A 58 -9.678 12.579 -7.492 1.00 1.22 N ATOM 967 CZ ARG A 58 -10.429 13.678 -7.451 1.00 45.52 C ATOM 968 NH1 ARG A 58 -10.184 14.634 -6.568 1.00 45.22 N ATOM 969 NH2 ARG A 58 -11.434 13.824 -8.300 1.00 51.43 N ATOM 0 H ARG A 58 -4.945 9.916 -4.465 1.00 42.43 H new ATOM 0 HA ARG A 58 -7.101 8.537 -5.677 1.00 42.13 H new ATOM 0 HB2 ARG A 58 -7.093 10.895 -4.818 1.00 53.11 H new ATOM 0 HB3 ARG A 58 -6.026 11.347 -6.134 1.00 53.11 H new ATOM 0 HG2 ARG A 58 -7.758 10.696 -7.776 1.00 14.25 H new ATOM 0 HG3 ARG A 58 -8.823 10.209 -6.473 1.00 14.25 H new ATOM 0 HD2 ARG A 58 -8.810 12.531 -5.585 1.00 52.03 H new ATOM 0 HD3 ARG A 58 -7.726 13.023 -6.871 1.00 52.03 H new ATOM 0 HE ARG A 58 -9.919 11.863 -8.177 1.00 1.22 H new ATOM 0 HH11 ARG A 58 -9.412 14.534 -5.909 1.00 45.22 H new ATOM 0 HH12 ARG A 58 -10.767 15.471 -6.547 1.00 45.22 H new ATOM 0 HH21 ARG A 58 -11.633 13.095 -8.985 1.00 51.43 H new ATOM 0 HH22 ARG A 58 -12.010 14.666 -8.269 1.00 51.43 H new ATOM 983 N ASP A 59 -4.619 9.472 -7.648 1.00 31.20 N ATOM 984 CA ASP A 59 -4.009 9.266 -8.964 1.00 4.43 C ATOM 985 C ASP A 59 -3.726 7.791 -9.213 1.00 12.43 C ATOM 986 O ASP A 59 -4.017 7.269 -10.287 1.00 51.13 O ATOM 987 CB ASP A 59 -2.709 10.068 -9.081 1.00 4.15 C ATOM 988 CG ASP A 59 -2.007 9.858 -10.410 1.00 10.12 C ATOM 989 OD1 ASP A 59 -2.440 10.459 -11.418 1.00 32.21 O ATOM 990 OD2 ASP A 59 -1.011 9.102 -10.450 1.00 33.00 O ATOM 0 H ASP A 59 -4.080 10.077 -7.028 1.00 31.20 H new ATOM 0 HA ASP A 59 -4.716 9.615 -9.717 1.00 4.43 H new ATOM 0 HB2 ASP A 59 -2.929 11.128 -8.955 1.00 4.15 H new ATOM 0 HB3 ASP A 59 -2.037 9.783 -8.271 1.00 4.15 H new ATOM 995 N TYR A 60 -3.178 7.129 -8.203 1.00 32.31 N ATOM 996 CA TYR A 60 -2.829 5.714 -8.292 1.00 1.01 C ATOM 997 C TYR A 60 -4.084 4.879 -8.536 1.00 53.21 C ATOM 998 O TYR A 60 -4.079 3.941 -9.334 1.00 54.31 O ATOM 999 CB TYR A 60 -2.142 5.271 -6.995 1.00 55.22 C ATOM 1000 CG TYR A 60 -0.979 4.326 -7.195 1.00 70.22 C ATOM 1001 CD1 TYR A 60 0.171 4.745 -7.855 1.00 63.15 C ATOM 1002 CD2 TYR A 60 -1.020 3.026 -6.710 1.00 24.14 C ATOM 1003 CE1 TYR A 60 1.243 3.893 -8.027 1.00 40.44 C ATOM 1004 CE2 TYR A 60 0.053 2.169 -6.874 1.00 25.03 C ATOM 1005 CZ TYR A 60 1.181 2.608 -7.534 1.00 34.52 C ATOM 1006 OH TYR A 60 2.253 1.761 -7.700 1.00 70.45 O ATOM 0 H TYR A 60 -2.963 7.554 -7.301 1.00 32.31 H new ATOM 0 HA TYR A 60 -2.144 5.565 -9.127 1.00 1.01 H new ATOM 0 HB2 TYR A 60 -1.789 6.156 -6.465 1.00 55.22 H new ATOM 0 HB3 TYR A 60 -2.880 4.789 -6.354 1.00 55.22 H new ATOM 0 HD1 TYR A 60 0.226 5.753 -8.239 1.00 63.15 H new ATOM 0 HD2 TYR A 60 -1.904 2.678 -6.196 1.00 24.14 H new ATOM 0 HE1 TYR A 60 2.127 4.232 -8.546 1.00 40.44 H new ATOM 0 HE2 TYR A 60 0.008 1.162 -6.487 1.00 25.03 H new ATOM 0 HH TYR A 60 2.198 1.332 -8.579 1.00 70.45 H new ATOM 1016 N LEU A 61 -5.157 5.244 -7.846 1.00 32.13 N ATOM 1017 CA LEU A 61 -6.447 4.578 -7.985 1.00 52.22 C ATOM 1018 C LEU A 61 -7.024 4.784 -9.382 1.00 35.02 C ATOM 1019 O LEU A 61 -7.478 3.837 -10.029 1.00 60.31 O ATOM 1020 CB LEU A 61 -7.409 5.134 -6.934 1.00 4.04 C ATOM 1021 CG LEU A 61 -8.867 4.681 -7.050 1.00 32.41 C ATOM 1022 CD1 LEU A 61 -9.005 3.206 -6.723 1.00 33.41 C ATOM 1023 CD2 LEU A 61 -9.759 5.515 -6.142 1.00 22.21 C ATOM 0 H LEU A 61 -5.158 6.011 -7.173 1.00 32.13 H new ATOM 0 HA LEU A 61 -6.309 3.507 -7.836 1.00 52.22 H new ATOM 0 HB2 LEU A 61 -7.040 4.853 -5.948 1.00 4.04 H new ATOM 0 HB3 LEU A 61 -7.383 6.222 -6.986 1.00 4.04 H new ATOM 0 HG LEU A 61 -9.187 4.830 -8.081 1.00 32.41 H new ATOM 0 HD11 LEU A 61 -10.050 2.910 -6.813 1.00 33.41 H new ATOM 0 HD12 LEU A 61 -8.401 2.621 -7.417 1.00 33.41 H new ATOM 0 HD13 LEU A 61 -8.663 3.026 -5.704 1.00 33.41 H new ATOM 0 HD21 LEU A 61 -10.791 5.179 -6.238 1.00 22.21 H new ATOM 0 HD22 LEU A 61 -9.434 5.400 -5.108 1.00 22.21 H new ATOM 0 HD23 LEU A 61 -9.691 6.564 -6.429 1.00 22.21 H new ATOM 1035 N ILE A 62 -7.022 6.028 -9.831 1.00 22.42 N ATOM 1036 CA ILE A 62 -7.528 6.368 -11.157 1.00 40.21 C ATOM 1037 C ILE A 62 -6.692 5.704 -12.250 1.00 3.42 C ATOM 1038 O ILE A 62 -7.234 5.104 -13.177 1.00 31.05 O ATOM 1039 CB ILE A 62 -7.557 7.898 -11.382 1.00 41.45 C ATOM 1040 CG1 ILE A 62 -8.481 8.564 -10.357 1.00 42.45 C ATOM 1041 CG2 ILE A 62 -8.008 8.227 -12.801 1.00 13.44 C ATOM 1042 CD1 ILE A 62 -8.514 10.073 -10.456 1.00 22.12 C ATOM 0 H ILE A 62 -6.675 6.824 -9.297 1.00 22.42 H new ATOM 0 HA ILE A 62 -8.550 5.992 -11.213 1.00 40.21 H new ATOM 0 HB ILE A 62 -6.547 8.287 -11.249 1.00 41.45 H new ATOM 0 HG12 ILE A 62 -9.492 8.178 -10.488 1.00 42.45 H new ATOM 0 HG13 ILE A 62 -8.160 8.282 -9.354 1.00 42.45 H new ATOM 0 HG21 ILE A 62 -8.021 9.308 -12.937 1.00 13.44 H new ATOM 0 HG22 ILE A 62 -7.317 7.780 -13.515 1.00 13.44 H new ATOM 0 HG23 ILE A 62 -9.009 7.828 -12.966 1.00 13.44 H new ATOM 0 HD11 ILE A 62 -9.189 10.473 -9.699 1.00 22.12 H new ATOM 0 HD12 ILE A 62 -7.512 10.470 -10.294 1.00 22.12 H new ATOM 0 HD13 ILE A 62 -8.865 10.365 -11.446 1.00 22.12 H new ATOM 1054 N TYR A 63 -5.372 5.792 -12.115 1.00 20.54 N ATOM 1055 CA TYR A 63 -4.444 5.207 -13.082 1.00 23.34 C ATOM 1056 C TYR A 63 -4.684 3.705 -13.218 1.00 75.43 C ATOM 1057 O TYR A 63 -4.602 3.142 -14.313 1.00 31.20 O ATOM 1058 CB TYR A 63 -3.002 5.474 -12.636 1.00 60.42 C ATOM 1059 CG TYR A 63 -1.946 5.057 -13.634 1.00 12.35 C ATOM 1060 CD1 TYR A 63 -1.644 5.861 -14.723 1.00 72.11 C ATOM 1061 CD2 TYR A 63 -1.242 3.869 -13.477 1.00 51.00 C ATOM 1062 CE1 TYR A 63 -0.671 5.493 -15.630 1.00 70.42 C ATOM 1063 CE2 TYR A 63 -0.264 3.496 -14.379 1.00 25.24 C ATOM 1064 CZ TYR A 63 0.017 4.311 -15.453 1.00 23.31 C ATOM 1065 OH TYR A 63 0.990 3.949 -16.354 1.00 31.23 O ATOM 0 H TYR A 63 -4.916 6.268 -11.337 1.00 20.54 H new ATOM 0 HA TYR A 63 -4.612 5.668 -14.055 1.00 23.34 H new ATOM 0 HB2 TYR A 63 -2.890 6.539 -12.432 1.00 60.42 H new ATOM 0 HB3 TYR A 63 -2.823 4.950 -11.697 1.00 60.42 H new ATOM 0 HD1 TYR A 63 -2.178 6.789 -14.863 1.00 72.11 H new ATOM 0 HD2 TYR A 63 -1.463 3.227 -12.637 1.00 51.00 H new ATOM 0 HE1 TYR A 63 -0.449 6.128 -16.475 1.00 70.42 H new ATOM 0 HE2 TYR A 63 0.277 2.571 -14.243 1.00 25.24 H new ATOM 0 HH TYR A 63 1.380 3.091 -16.087 1.00 31.23 H new ATOM 1075 N MET A 64 -4.993 3.075 -12.092 1.00 42.11 N ATOM 1076 CA MET A 64 -5.283 1.648 -12.043 1.00 12.14 C ATOM 1077 C MET A 64 -6.460 1.303 -12.951 1.00 41.45 C ATOM 1078 O MET A 64 -6.413 0.339 -13.712 1.00 20.15 O ATOM 1079 CB MET A 64 -5.623 1.252 -10.608 1.00 33.44 C ATOM 1080 CG MET A 64 -5.579 -0.242 -10.343 1.00 73.55 C ATOM 1081 SD MET A 64 -3.940 -0.802 -9.840 1.00 52.11 S ATOM 1082 CE MET A 64 -3.656 0.248 -8.411 1.00 0.43 C ATOM 0 H MET A 64 -5.050 3.540 -11.186 1.00 42.11 H new ATOM 0 HA MET A 64 -4.404 1.102 -12.387 1.00 12.14 H new ATOM 0 HB2 MET A 64 -4.927 1.749 -9.932 1.00 33.44 H new ATOM 0 HB3 MET A 64 -6.620 1.622 -10.368 1.00 33.44 H new ATOM 0 HG2 MET A 64 -6.300 -0.492 -9.565 1.00 73.55 H new ATOM 0 HG3 MET A 64 -5.883 -0.777 -11.243 1.00 73.55 H new ATOM 0 HE1 MET A 64 -3.154 -0.326 -7.632 1.00 0.43 H new ATOM 0 HE2 MET A 64 -3.031 1.093 -8.699 1.00 0.43 H new ATOM 0 HE3 MET A 64 -4.611 0.614 -8.033 1.00 0.43 H new ATOM 1092 N LYS A 65 -7.509 2.104 -12.863 1.00 22.23 N ATOM 1093 CA LYS A 65 -8.732 1.863 -13.622 1.00 32.24 C ATOM 1094 C LYS A 65 -8.576 2.339 -15.068 1.00 25.32 C ATOM 1095 O LYS A 65 -9.031 1.680 -16.002 1.00 32.23 O ATOM 1096 CB LYS A 65 -9.910 2.577 -12.934 1.00 63.45 C ATOM 1097 CG LYS A 65 -11.293 2.087 -13.359 1.00 32.22 C ATOM 1098 CD LYS A 65 -11.705 2.633 -14.715 1.00 53.03 C ATOM 1099 CE LYS A 65 -13.064 2.104 -15.140 1.00 73.12 C ATOM 1100 NZ LYS A 65 -13.431 2.571 -16.501 1.00 23.44 N ATOM 0 H LYS A 65 -7.541 2.933 -12.270 1.00 22.23 H new ATOM 0 HA LYS A 65 -8.931 0.792 -13.647 1.00 32.24 H new ATOM 0 HB2 LYS A 65 -9.812 2.453 -11.856 1.00 63.45 H new ATOM 0 HB3 LYS A 65 -9.839 3.645 -13.140 1.00 63.45 H new ATOM 0 HG2 LYS A 65 -11.296 0.998 -13.392 1.00 32.22 H new ATOM 0 HG3 LYS A 65 -12.028 2.385 -12.611 1.00 32.22 H new ATOM 0 HD2 LYS A 65 -11.733 3.722 -14.676 1.00 53.03 H new ATOM 0 HD3 LYS A 65 -10.958 2.360 -15.460 1.00 53.03 H new ATOM 0 HE2 LYS A 65 -13.054 1.014 -15.119 1.00 73.12 H new ATOM 0 HE3 LYS A 65 -13.821 2.429 -14.427 1.00 73.12 H new ATOM 0 HZ1 LYS A 65 -14.364 2.191 -16.759 1.00 23.44 H new ATOM 0 HZ2 LYS A 65 -13.465 3.610 -16.514 1.00 23.44 H new ATOM 0 HZ3 LYS A 65 -12.721 2.239 -17.185 1.00 23.44 H new ATOM 1114 N LYS A 66 -7.925 3.476 -15.245 1.00 60.22 N ATOM 1115 CA LYS A 66 -7.787 4.086 -16.562 1.00 1.32 C ATOM 1116 C LYS A 66 -6.791 3.325 -17.439 1.00 30.01 C ATOM 1117 O LYS A 66 -7.162 2.757 -18.470 1.00 14.52 O ATOM 1118 CB LYS A 66 -7.349 5.546 -16.400 1.00 1.32 C ATOM 1119 CG LYS A 66 -7.090 6.277 -17.709 1.00 62.23 C ATOM 1120 CD LYS A 66 -8.299 6.247 -18.627 1.00 24.50 C ATOM 1121 CE LYS A 66 -8.089 7.117 -19.856 1.00 73.35 C ATOM 1122 NZ LYS A 66 -6.821 6.791 -20.567 1.00 32.22 N ATOM 0 H LYS A 66 -7.481 4.000 -14.491 1.00 60.22 H new ATOM 0 HA LYS A 66 -8.754 4.044 -17.063 1.00 1.32 H new ATOM 0 HB2 LYS A 66 -8.118 6.083 -15.845 1.00 1.32 H new ATOM 0 HB3 LYS A 66 -6.442 5.575 -15.797 1.00 1.32 H new ATOM 0 HG2 LYS A 66 -6.820 7.312 -17.499 1.00 62.23 H new ATOM 0 HG3 LYS A 66 -6.239 5.822 -18.216 1.00 62.23 H new ATOM 0 HD2 LYS A 66 -8.497 5.221 -18.936 1.00 24.50 H new ATOM 0 HD3 LYS A 66 -9.179 6.591 -18.083 1.00 24.50 H new ATOM 0 HE2 LYS A 66 -8.929 6.988 -20.538 1.00 73.35 H new ATOM 0 HE3 LYS A 66 -8.078 8.166 -19.559 1.00 73.35 H new ATOM 0 HZ1 LYS A 66 -6.792 7.297 -21.475 1.00 32.22 H new ATOM 0 HZ2 LYS A 66 -6.011 7.081 -19.983 1.00 32.22 H new ATOM 0 HZ3 LYS A 66 -6.773 5.767 -20.740 1.00 32.22 H new ATOM 1136 N THR A 67 -5.536 3.302 -17.020 1.00 5.43 N ATOM 1137 CA THR A 67 -4.473 2.723 -17.824 1.00 24.53 C ATOM 1138 C THR A 67 -4.448 1.203 -17.712 1.00 14.31 C ATOM 1139 O THR A 67 -4.379 0.499 -18.720 1.00 64.12 O ATOM 1140 CB THR A 67 -3.111 3.302 -17.408 1.00 23.30 C ATOM 1141 OG1 THR A 67 -3.194 4.732 -17.388 1.00 12.23 O ATOM 1142 CG2 THR A 67 -2.011 2.866 -18.369 1.00 64.45 C ATOM 0 H THR A 67 -5.228 3.679 -16.124 1.00 5.43 H new ATOM 0 HA THR A 67 -4.671 2.981 -18.864 1.00 24.53 H new ATOM 0 HB THR A 67 -2.862 2.927 -16.415 1.00 23.30 H new ATOM 0 HG1 THR A 67 -2.543 5.089 -16.748 1.00 12.23 H new ATOM 0 HG21 THR A 67 -1.059 3.291 -18.049 1.00 64.45 H new ATOM 0 HG22 THR A 67 -1.940 1.778 -18.372 1.00 64.45 H new ATOM 0 HG23 THR A 67 -2.246 3.217 -19.374 1.00 64.45 H new ATOM 1150 N LEU A 68 -4.522 0.697 -16.489 1.00 73.04 N ATOM 1151 CA LEU A 68 -4.428 -0.739 -16.254 1.00 63.04 C ATOM 1152 C LEU A 68 -5.778 -1.418 -16.454 1.00 4.33 C ATOM 1153 O LEU A 68 -5.846 -2.635 -16.629 1.00 12.23 O ATOM 1154 CB LEU A 68 -3.899 -1.013 -14.845 1.00 60.12 C ATOM 1155 CG LEU A 68 -2.486 -0.493 -14.568 1.00 3.11 C ATOM 1156 CD1 LEU A 68 -2.063 -0.832 -13.150 1.00 12.33 C ATOM 1157 CD2 LEU A 68 -1.494 -1.066 -15.570 1.00 24.53 C ATOM 0 H LEU A 68 -4.647 1.257 -15.645 1.00 73.04 H new ATOM 0 HA LEU A 68 -3.730 -1.155 -16.980 1.00 63.04 H new ATOM 0 HB2 LEU A 68 -4.582 -0.564 -14.124 1.00 60.12 H new ATOM 0 HB3 LEU A 68 -3.914 -2.089 -14.671 1.00 60.12 H new ATOM 0 HG LEU A 68 -2.495 0.591 -14.677 1.00 3.11 H new ATOM 0 HD11 LEU A 68 -1.056 -0.455 -12.971 1.00 12.33 H new ATOM 0 HD12 LEU A 68 -2.754 -0.371 -12.444 1.00 12.33 H new ATOM 0 HD13 LEU A 68 -2.075 -1.914 -13.016 1.00 12.33 H new ATOM 0 HD21 LEU A 68 -0.497 -0.683 -15.354 1.00 24.53 H new ATOM 0 HD22 LEU A 68 -1.489 -2.153 -15.496 1.00 24.53 H new ATOM 0 HD23 LEU A 68 -1.785 -0.772 -16.579 1.00 24.53 H new ATOM 1169 N CYS A 69 -6.846 -0.624 -16.421 1.00 21.53 N ATOM 1170 CA CYS A 69 -8.206 -1.120 -16.622 1.00 21.11 C ATOM 1171 C CYS A 69 -8.619 -2.080 -15.505 1.00 15.53 C ATOM 1172 O CYS A 69 -9.448 -2.965 -15.709 1.00 4.30 O ATOM 1173 CB CYS A 69 -8.337 -1.794 -17.993 1.00 72.13 C ATOM 1174 SG CYS A 69 -8.007 -0.692 -19.391 1.00 55.41 S ATOM 0 H CYS A 69 -6.793 0.381 -16.254 1.00 21.53 H new ATOM 0 HA CYS A 69 -8.882 -0.265 -16.591 1.00 21.11 H new ATOM 0 HB2 CYS A 69 -7.649 -2.638 -18.039 1.00 72.13 H new ATOM 0 HB3 CYS A 69 -9.344 -2.199 -18.093 1.00 72.13 H new ATOM 0 HG CYS A 69 -7.743 0.502 -18.950 1.00 55.41 H new ATOM 1180 N ASN A 70 -8.051 -1.884 -14.322 1.00 74.14 N ATOM 1181 CA ASN A 70 -8.404 -2.693 -13.158 1.00 43.20 C ATOM 1182 C ASN A 70 -9.533 -2.026 -12.387 1.00 1.24 C ATOM 1183 O ASN A 70 -9.768 -0.827 -12.531 1.00 34.24 O ATOM 1184 CB ASN A 70 -7.194 -2.899 -12.233 1.00 34.12 C ATOM 1185 CG ASN A 70 -6.188 -3.909 -12.767 1.00 52.51 C ATOM 1186 OD1 ASN A 70 -6.019 -3.958 -14.079 1.00 1.21 O flip ATOM 1187 ND2 ASN A 70 -5.561 -4.640 -11.999 1.00 32.04 N flip ATOM 0 H ASN A 70 -7.343 -1.172 -14.141 1.00 74.14 H new ATOM 0 HA ASN A 70 -8.731 -3.670 -13.513 1.00 43.20 H new ATOM 0 HB2 ASN A 70 -6.693 -1.942 -12.084 1.00 34.12 H new ATOM 0 HB3 ASN A 70 -7.546 -3.230 -11.256 1.00 34.12 H new ATOM 0 HD21 ASN A 70 -5.716 -4.576 -10.993 1.00 32.04 H new ATOM 0 HD22 ASN A 70 -4.887 -5.310 -12.369 1.00 32.04 H new ATOM 1194 N ALA A 71 -10.231 -2.799 -11.571 1.00 2.41 N ATOM 1195 CA ALA A 71 -11.348 -2.274 -10.802 1.00 61.51 C ATOM 1196 C ALA A 71 -10.851 -1.509 -9.582 1.00 73.21 C ATOM 1197 O ALA A 71 -9.705 -1.683 -9.155 1.00 13.01 O ATOM 1198 CB ALA A 71 -12.276 -3.404 -10.381 1.00 54.50 C ATOM 0 H ALA A 71 -10.044 -3.791 -11.424 1.00 2.41 H new ATOM 0 HA ALA A 71 -11.905 -1.582 -11.433 1.00 61.51 H new ATOM 0 HB1 ALA A 71 -13.108 -2.997 -9.806 1.00 54.50 H new ATOM 0 HB2 ALA A 71 -12.660 -3.909 -11.267 1.00 54.50 H new ATOM 0 HB3 ALA A 71 -11.726 -4.117 -9.767 1.00 54.50 H new ATOM 1204 N ASP A 72 -11.713 -0.668 -9.019 1.00 25.10 N ATOM 1205 CA ASP A 72 -11.363 0.093 -7.825 1.00 13.11 C ATOM 1206 C ASP A 72 -11.081 -0.850 -6.670 1.00 40.22 C ATOM 1207 O ASP A 72 -10.181 -0.605 -5.873 1.00 35.24 O ATOM 1208 CB ASP A 72 -12.471 1.082 -7.438 1.00 64.33 C ATOM 1209 CG ASP A 72 -13.777 0.405 -7.077 1.00 63.23 C ATOM 1210 OD1 ASP A 72 -14.442 -0.142 -7.983 1.00 2.15 O ATOM 1211 OD2 ASP A 72 -14.145 0.411 -5.885 1.00 41.22 O ATOM 0 H ASP A 72 -12.656 -0.497 -9.369 1.00 25.10 H new ATOM 0 HA ASP A 72 -10.466 0.670 -8.050 1.00 13.11 H new ATOM 0 HB2 ASP A 72 -12.134 1.682 -6.592 1.00 64.33 H new ATOM 0 HB3 ASP A 72 -12.642 1.768 -8.267 1.00 64.33 H new ATOM 1216 N SER A 73 -11.834 -1.944 -6.603 1.00 51.21 N ATOM 1217 CA SER A 73 -11.628 -2.959 -5.582 1.00 33.22 C ATOM 1218 C SER A 73 -10.196 -3.485 -5.633 1.00 31.22 C ATOM 1219 O SER A 73 -9.519 -3.575 -4.610 1.00 22.13 O ATOM 1220 CB SER A 73 -12.620 -4.104 -5.786 1.00 33.20 C ATOM 1221 OG SER A 73 -13.942 -3.605 -5.905 1.00 71.10 O ATOM 0 H SER A 73 -12.596 -2.148 -7.249 1.00 51.21 H new ATOM 0 HA SER A 73 -11.794 -2.513 -4.602 1.00 33.22 H new ATOM 0 HB2 SER A 73 -12.356 -4.666 -6.682 1.00 33.20 H new ATOM 0 HB3 SER A 73 -12.561 -4.797 -4.947 1.00 33.20 H new ATOM 0 HG SER A 73 -14.563 -4.352 -6.037 1.00 71.10 H new ATOM 1227 N THR A 74 -9.736 -3.804 -6.839 1.00 1.54 N ATOM 1228 CA THR A 74 -8.379 -4.285 -7.053 1.00 33.25 C ATOM 1229 C THR A 74 -7.359 -3.238 -6.608 1.00 71.12 C ATOM 1230 O THR A 74 -6.403 -3.543 -5.893 1.00 52.34 O ATOM 1231 CB THR A 74 -8.155 -4.609 -8.543 1.00 50.50 C ATOM 1232 OG1 THR A 74 -9.259 -5.376 -9.040 1.00 11.01 O ATOM 1233 CG2 THR A 74 -6.861 -5.382 -8.750 1.00 14.23 C ATOM 0 H THR A 74 -10.292 -3.736 -7.691 1.00 1.54 H new ATOM 0 HA THR A 74 -8.245 -5.189 -6.460 1.00 33.25 H new ATOM 0 HB THR A 74 -8.081 -3.669 -9.089 1.00 50.50 H new ATOM 0 HG1 THR A 74 -9.116 -5.580 -9.988 1.00 11.01 H new ATOM 0 HG21 THR A 74 -6.731 -5.596 -9.811 1.00 14.23 H new ATOM 0 HG22 THR A 74 -6.020 -4.786 -8.394 1.00 14.23 H new ATOM 0 HG23 THR A 74 -6.904 -6.318 -8.194 1.00 14.23 H new ATOM 1241 N ALA A 75 -7.587 -2.000 -7.027 1.00 4.21 N ATOM 1242 CA ALA A 75 -6.710 -0.891 -6.678 1.00 73.55 C ATOM 1243 C ALA A 75 -6.660 -0.682 -5.169 1.00 60.45 C ATOM 1244 O ALA A 75 -5.597 -0.438 -4.602 1.00 11.22 O ATOM 1245 CB ALA A 75 -7.176 0.380 -7.367 1.00 73.14 C ATOM 0 H ALA A 75 -8.379 -1.738 -7.614 1.00 4.21 H new ATOM 0 HA ALA A 75 -5.704 -1.135 -7.019 1.00 73.55 H new ATOM 0 HB1 ALA A 75 -6.513 1.203 -7.099 1.00 73.14 H new ATOM 0 HB2 ALA A 75 -7.157 0.236 -8.447 1.00 73.14 H new ATOM 0 HB3 ALA A 75 -8.192 0.614 -7.050 1.00 73.14 H new ATOM 1251 N GLN A 76 -7.815 -0.791 -4.530 1.00 62.41 N ATOM 1252 CA GLN A 76 -7.937 -0.615 -3.096 1.00 30.43 C ATOM 1253 C GLN A 76 -7.109 -1.646 -2.332 1.00 1.00 C ATOM 1254 O GLN A 76 -6.575 -1.355 -1.264 1.00 55.43 O ATOM 1255 CB GLN A 76 -9.406 -0.719 -2.705 1.00 62.23 C ATOM 1256 CG GLN A 76 -10.226 0.513 -3.062 1.00 13.42 C ATOM 1257 CD GLN A 76 -9.968 1.679 -2.129 1.00 63.51 C ATOM 1258 OE1 GLN A 76 -9.631 1.498 -0.957 1.00 0.42 O ATOM 1259 NE2 GLN A 76 -10.138 2.885 -2.641 1.00 63.32 N ATOM 0 H GLN A 76 -8.696 -1.005 -4.996 1.00 62.41 H new ATOM 0 HA GLN A 76 -7.552 0.370 -2.832 1.00 30.43 H new ATOM 0 HB2 GLN A 76 -9.842 -1.589 -3.196 1.00 62.23 H new ATOM 0 HB3 GLN A 76 -9.475 -0.891 -1.631 1.00 62.23 H new ATOM 0 HG2 GLN A 76 -9.996 0.813 -4.084 1.00 13.42 H new ATOM 0 HG3 GLN A 76 -11.286 0.259 -3.035 1.00 13.42 H new ATOM 0 HE21 GLN A 76 -10.417 2.990 -3.616 1.00 63.32 H new ATOM 0 HE22 GLN A 76 -9.990 3.711 -2.061 1.00 63.32 H new ATOM 1268 N ARG A 77 -7.006 -2.853 -2.880 1.00 20.43 N ATOM 1269 CA ARG A 77 -6.197 -3.902 -2.261 1.00 21.14 C ATOM 1270 C ARG A 77 -4.722 -3.548 -2.367 1.00 3.22 C ATOM 1271 O ARG A 77 -3.953 -3.721 -1.424 1.00 14.43 O ATOM 1272 CB ARG A 77 -6.452 -5.262 -2.922 1.00 33.40 C ATOM 1273 CG ARG A 77 -7.922 -5.604 -3.051 1.00 22.53 C ATOM 1274 CD ARG A 77 -8.658 -5.381 -1.744 1.00 1.44 C ATOM 1275 NE ARG A 77 -10.104 -5.492 -1.914 1.00 44.05 N ATOM 1276 CZ ARG A 77 -10.972 -4.553 -1.541 1.00 23.34 C ATOM 1277 NH1 ARG A 77 -10.549 -3.469 -0.901 1.00 44.21 N ATOM 1278 NH2 ARG A 77 -12.265 -4.701 -1.799 1.00 65.00 N ATOM 0 H ARG A 77 -7.469 -3.130 -3.746 1.00 20.43 H new ATOM 0 HA ARG A 77 -6.482 -3.974 -1.211 1.00 21.14 H new ATOM 0 HB2 ARG A 77 -5.998 -5.267 -3.913 1.00 33.40 H new ATOM 0 HB3 ARG A 77 -5.956 -6.039 -2.340 1.00 33.40 H new ATOM 0 HG2 ARG A 77 -8.372 -4.992 -3.833 1.00 22.53 H new ATOM 0 HG3 ARG A 77 -8.030 -6.644 -3.358 1.00 22.53 H new ATOM 0 HD2 ARG A 77 -8.321 -6.110 -1.007 1.00 1.44 H new ATOM 0 HD3 ARG A 77 -8.412 -4.394 -1.351 1.00 1.44 H new ATOM 0 HE ARG A 77 -10.472 -6.340 -2.345 1.00 44.05 H new ATOM 0 HH11 ARG A 77 -9.557 -3.354 -0.694 1.00 44.21 H new ATOM 0 HH12 ARG A 77 -11.216 -2.752 -0.617 1.00 44.21 H new ATOM 0 HH21 ARG A 77 -12.596 -5.535 -2.284 1.00 65.00 H new ATOM 0 HH22 ARG A 77 -12.928 -3.981 -1.512 1.00 65.00 H new ATOM 1292 N ASN A 78 -4.340 -3.044 -3.526 1.00 13.22 N ATOM 1293 CA ASN A 78 -2.982 -2.581 -3.754 1.00 1.14 C ATOM 1294 C ASN A 78 -2.658 -1.412 -2.824 1.00 74.13 C ATOM 1295 O ASN A 78 -1.624 -1.394 -2.159 1.00 41.11 O ATOM 1296 CB ASN A 78 -2.837 -2.164 -5.216 1.00 33.32 C ATOM 1297 CG ASN A 78 -1.400 -2.098 -5.688 1.00 51.35 C ATOM 1298 OD1 ASN A 78 -0.486 -1.753 -4.940 1.00 44.33 O ATOM 1299 ND2 ASN A 78 -1.194 -2.456 -6.941 1.00 42.42 N ATOM 0 H ASN A 78 -4.957 -2.944 -4.332 1.00 13.22 H new ATOM 0 HA ASN A 78 -2.279 -3.386 -3.539 1.00 1.14 H new ATOM 0 HB2 ASN A 78 -3.384 -2.869 -5.842 1.00 33.32 H new ATOM 0 HB3 ASN A 78 -3.301 -1.188 -5.354 1.00 33.32 H new ATOM 0 HD21 ASN A 78 -0.248 -2.453 -7.323 1.00 42.42 H new ATOM 0 HD22 ASN A 78 -1.980 -2.735 -7.527 1.00 42.42 H new ATOM 1306 N LEU A 79 -3.576 -0.462 -2.752 1.00 35.20 N ATOM 1307 CA LEU A 79 -3.403 0.729 -1.925 1.00 21.44 C ATOM 1308 C LEU A 79 -3.379 0.392 -0.435 1.00 43.53 C ATOM 1309 O LEU A 79 -2.712 1.069 0.349 1.00 5.21 O ATOM 1310 CB LEU A 79 -4.519 1.739 -2.203 1.00 0.15 C ATOM 1311 CG LEU A 79 -4.517 2.354 -3.604 1.00 74.52 C ATOM 1312 CD1 LEU A 79 -5.725 3.258 -3.786 1.00 14.34 C ATOM 1313 CD2 LEU A 79 -3.235 3.135 -3.843 1.00 63.55 C ATOM 0 H LEU A 79 -4.459 -0.491 -3.261 1.00 35.20 H new ATOM 0 HA LEU A 79 -2.439 1.165 -2.188 1.00 21.44 H new ATOM 0 HB2 LEU A 79 -5.478 1.247 -2.042 1.00 0.15 H new ATOM 0 HB3 LEU A 79 -4.447 2.544 -1.472 1.00 0.15 H new ATOM 0 HG LEU A 79 -4.571 1.546 -4.334 1.00 74.52 H new ATOM 0 HD11 LEU A 79 -5.710 3.688 -4.787 1.00 14.34 H new ATOM 0 HD12 LEU A 79 -6.638 2.677 -3.655 1.00 14.34 H new ATOM 0 HD13 LEU A 79 -5.695 4.058 -3.047 1.00 14.34 H new ATOM 0 HD21 LEU A 79 -3.252 3.565 -4.845 1.00 63.55 H new ATOM 0 HD22 LEU A 79 -3.153 3.934 -3.106 1.00 63.55 H new ATOM 0 HD23 LEU A 79 -2.379 2.467 -3.750 1.00 63.55 H new ATOM 1325 N SER A 80 -4.104 -0.650 -0.039 1.00 51.23 N ATOM 1326 CA SER A 80 -4.183 -1.023 1.371 1.00 2.13 C ATOM 1327 C SER A 80 -2.827 -1.488 1.907 1.00 22.23 C ATOM 1328 O SER A 80 -2.582 -1.444 3.112 1.00 73.00 O ATOM 1329 CB SER A 80 -5.251 -2.098 1.600 1.00 24.04 C ATOM 1330 OG SER A 80 -4.923 -3.317 0.954 1.00 34.41 O ATOM 0 H SER A 80 -4.641 -1.247 -0.668 1.00 51.23 H new ATOM 0 HA SER A 80 -4.473 -0.130 1.925 1.00 2.13 H new ATOM 0 HB2 SER A 80 -5.365 -2.274 2.670 1.00 24.04 H new ATOM 0 HB3 SER A 80 -6.212 -1.739 1.231 1.00 24.04 H new ATOM 0 HG SER A 80 -4.519 -3.127 0.082 1.00 34.41 H new ATOM 1336 N THR A 81 -1.943 -1.926 1.016 1.00 5.20 N ATOM 1337 CA THR A 81 -0.601 -2.310 1.425 1.00 33.02 C ATOM 1338 C THR A 81 0.223 -1.057 1.704 1.00 63.10 C ATOM 1339 O THR A 81 0.970 -0.993 2.680 1.00 72.30 O ATOM 1340 CB THR A 81 0.108 -3.188 0.369 1.00 22.00 C ATOM 1341 OG1 THR A 81 0.342 -2.452 -0.841 1.00 34.12 O ATOM 1342 CG2 THR A 81 -0.718 -4.430 0.064 1.00 72.40 C ATOM 0 H THR A 81 -2.130 -2.022 0.018 1.00 5.20 H new ATOM 0 HA THR A 81 -0.689 -2.910 2.331 1.00 33.02 H new ATOM 0 HB THR A 81 1.070 -3.492 0.782 1.00 22.00 H new ATOM 0 HG1 THR A 81 -0.463 -1.946 -1.077 1.00 34.12 H new ATOM 0 HG21 THR A 81 -0.203 -5.036 -0.682 1.00 72.40 H new ATOM 0 HG22 THR A 81 -0.850 -5.012 0.976 1.00 72.40 H new ATOM 0 HG23 THR A 81 -1.693 -4.133 -0.321 1.00 72.40 H new ATOM 1350 N ILE A 82 0.041 -0.048 0.855 1.00 72.41 N ATOM 1351 CA ILE A 82 0.693 1.246 1.026 1.00 43.25 C ATOM 1352 C ILE A 82 0.273 1.870 2.353 1.00 11.22 C ATOM 1353 O ILE A 82 1.056 2.566 2.998 1.00 41.42 O ATOM 1354 CB ILE A 82 0.345 2.204 -0.137 1.00 60.32 C ATOM 1355 CG1 ILE A 82 0.709 1.559 -1.477 1.00 62.33 C ATOM 1356 CG2 ILE A 82 1.074 3.531 0.024 1.00 31.21 C ATOM 1357 CD1 ILE A 82 0.204 2.326 -2.680 1.00 51.11 C ATOM 0 H ILE A 82 -0.560 -0.105 0.033 1.00 72.41 H new ATOM 0 HA ILE A 82 1.771 1.085 1.025 1.00 43.25 H new ATOM 0 HB ILE A 82 -0.728 2.397 -0.117 1.00 60.32 H new ATOM 0 HG12 ILE A 82 1.793 1.469 -1.544 1.00 62.33 H new ATOM 0 HG13 ILE A 82 0.303 0.548 -1.505 1.00 62.33 H new ATOM 0 HG21 ILE A 82 0.816 4.191 -0.804 1.00 31.21 H new ATOM 0 HG22 ILE A 82 0.779 3.996 0.964 1.00 31.21 H new ATOM 0 HG23 ILE A 82 2.150 3.357 0.027 1.00 31.21 H new ATOM 0 HD11 ILE A 82 0.500 1.808 -3.592 1.00 51.11 H new ATOM 0 HD12 ILE A 82 -0.883 2.394 -2.638 1.00 51.11 H new ATOM 0 HD13 ILE A 82 0.630 3.329 -2.677 1.00 51.11 H new ATOM 1369 N LYS A 83 -0.967 1.593 2.755 1.00 12.20 N ATOM 1370 CA LYS A 83 -1.491 2.035 4.042 1.00 61.31 C ATOM 1371 C LYS A 83 -0.548 1.677 5.175 1.00 64.14 C ATOM 1372 O LYS A 83 -0.277 2.502 6.035 1.00 42.35 O ATOM 1373 CB LYS A 83 -2.859 1.404 4.290 1.00 71.54 C ATOM 1374 CG LYS A 83 -3.975 2.038 3.485 1.00 1.32 C ATOM 1375 CD LYS A 83 -4.201 3.473 3.918 1.00 22.30 C ATOM 1376 CE LYS A 83 -5.288 4.146 3.093 1.00 3.51 C ATOM 1377 NZ LYS A 83 -6.603 3.462 3.230 1.00 73.21 N ATOM 0 H LYS A 83 -1.633 1.057 2.198 1.00 12.20 H new ATOM 0 HA LYS A 83 -1.588 3.120 4.012 1.00 61.31 H new ATOM 0 HB2 LYS A 83 -2.808 0.342 4.051 1.00 71.54 H new ATOM 0 HB3 LYS A 83 -3.098 1.481 5.351 1.00 71.54 H new ATOM 0 HG2 LYS A 83 -3.727 2.008 2.424 1.00 1.32 H new ATOM 0 HG3 LYS A 83 -4.893 1.465 3.614 1.00 1.32 H new ATOM 0 HD2 LYS A 83 -4.478 3.496 4.972 1.00 22.30 H new ATOM 0 HD3 LYS A 83 -3.271 4.033 3.821 1.00 22.30 H new ATOM 0 HE2 LYS A 83 -5.387 5.186 3.405 1.00 3.51 H new ATOM 0 HE3 LYS A 83 -4.992 4.155 2.044 1.00 3.51 H new ATOM 0 HZ1 LYS A 83 -7.345 4.045 2.792 1.00 73.21 H new ATOM 0 HZ2 LYS A 83 -6.564 2.537 2.756 1.00 73.21 H new ATOM 0 HZ3 LYS A 83 -6.820 3.325 4.238 1.00 73.21 H new ATOM 1391 N ILE A 84 -0.039 0.456 5.157 1.00 20.11 N ATOM 1392 CA ILE A 84 0.892 -0.002 6.179 1.00 1.43 C ATOM 1393 C ILE A 84 2.142 0.876 6.205 1.00 22.13 C ATOM 1394 O ILE A 84 2.593 1.293 7.272 1.00 51.31 O ATOM 1395 CB ILE A 84 1.303 -1.474 5.951 1.00 45.14 C ATOM 1396 CG1 ILE A 84 0.073 -2.389 5.995 1.00 25.24 C ATOM 1397 CG2 ILE A 84 2.328 -1.914 6.983 1.00 63.42 C ATOM 1398 CD1 ILE A 84 -0.674 -2.355 7.313 1.00 32.21 C ATOM 0 H ILE A 84 -0.255 -0.240 4.443 1.00 20.11 H new ATOM 0 HA ILE A 84 0.379 0.071 7.138 1.00 1.43 H new ATOM 0 HB ILE A 84 1.757 -1.551 4.963 1.00 45.14 H new ATOM 0 HG12 ILE A 84 -0.609 -2.102 5.195 1.00 25.24 H new ATOM 0 HG13 ILE A 84 0.387 -3.413 5.794 1.00 25.24 H new ATOM 0 HG21 ILE A 84 2.603 -2.953 6.803 1.00 63.42 H new ATOM 0 HG22 ILE A 84 3.215 -1.286 6.905 1.00 63.42 H new ATOM 0 HG23 ILE A 84 1.902 -1.819 7.982 1.00 63.42 H new ATOM 0 HD11 ILE A 84 -1.530 -3.028 7.264 1.00 32.21 H new ATOM 0 HD12 ILE A 84 -0.009 -2.672 8.116 1.00 32.21 H new ATOM 0 HD13 ILE A 84 -1.021 -1.340 7.508 1.00 32.21 H new ATOM 1410 N TYR A 85 2.669 1.182 5.026 1.00 60.41 N ATOM 1411 CA TYR A 85 3.876 1.998 4.914 1.00 45.13 C ATOM 1412 C TYR A 85 3.605 3.411 5.412 1.00 4.13 C ATOM 1413 O TYR A 85 4.350 3.951 6.228 1.00 62.21 O ATOM 1414 CB TYR A 85 4.359 2.036 3.461 1.00 21.21 C ATOM 1415 CG TYR A 85 5.454 3.049 3.201 1.00 32.43 C ATOM 1416 CD1 TYR A 85 6.738 2.859 3.694 1.00 11.24 C ATOM 1417 CD2 TYR A 85 5.199 4.198 2.461 1.00 63.51 C ATOM 1418 CE1 TYR A 85 7.738 3.782 3.458 1.00 13.52 C ATOM 1419 CE2 TYR A 85 6.194 5.127 2.220 1.00 13.40 C ATOM 1420 CZ TYR A 85 7.461 4.914 2.719 1.00 30.33 C ATOM 1421 OH TYR A 85 8.455 5.837 2.483 1.00 61.42 O ATOM 0 H TYR A 85 2.281 0.878 4.133 1.00 60.41 H new ATOM 0 HA TYR A 85 4.656 1.551 5.531 1.00 45.13 H new ATOM 0 HB2 TYR A 85 4.721 1.046 3.183 1.00 21.21 H new ATOM 0 HB3 TYR A 85 3.511 2.259 2.813 1.00 21.21 H new ATOM 0 HD1 TYR A 85 6.959 1.974 4.272 1.00 11.24 H new ATOM 0 HD2 TYR A 85 4.207 4.368 2.068 1.00 63.51 H new ATOM 0 HE1 TYR A 85 8.731 3.619 3.850 1.00 13.52 H new ATOM 0 HE2 TYR A 85 5.980 6.015 1.644 1.00 13.40 H new ATOM 0 HH TYR A 85 8.096 6.574 1.947 1.00 61.42 H new ATOM 1431 N VAL A 86 2.525 3.989 4.917 1.00 34.23 N ATOM 1432 CA VAL A 86 2.124 5.329 5.301 1.00 4.42 C ATOM 1433 C VAL A 86 1.849 5.398 6.799 1.00 33.20 C ATOM 1434 O VAL A 86 2.396 6.244 7.502 1.00 24.03 O ATOM 1435 CB VAL A 86 0.866 5.763 4.529 1.00 50.21 C ATOM 1436 CG1 VAL A 86 0.422 7.153 4.952 1.00 4.54 C ATOM 1437 CG2 VAL A 86 1.120 5.716 3.031 1.00 50.22 C ATOM 0 H VAL A 86 1.904 3.544 4.241 1.00 34.23 H new ATOM 0 HA VAL A 86 2.943 6.006 5.056 1.00 4.42 H new ATOM 0 HB VAL A 86 0.063 5.065 4.767 1.00 50.21 H new ATOM 0 HG11 VAL A 86 -0.469 7.437 4.392 1.00 4.54 H new ATOM 0 HG12 VAL A 86 0.196 7.154 6.018 1.00 4.54 H new ATOM 0 HG13 VAL A 86 1.220 7.867 4.750 1.00 4.54 H new ATOM 0 HG21 VAL A 86 0.220 6.026 2.499 1.00 50.22 H new ATOM 0 HG22 VAL A 86 1.940 6.389 2.780 1.00 50.22 H new ATOM 0 HG23 VAL A 86 1.382 4.699 2.738 1.00 50.22 H new ATOM 1447 N SER A 87 1.019 4.484 7.275 1.00 22.54 N ATOM 1448 CA SER A 87 0.646 4.423 8.679 1.00 51.02 C ATOM 1449 C SER A 87 1.866 4.235 9.585 1.00 73.30 C ATOM 1450 O SER A 87 1.964 4.868 10.636 1.00 33.53 O ATOM 1451 CB SER A 87 -0.375 3.304 8.885 1.00 34.42 C ATOM 1452 OG SER A 87 -1.694 3.776 8.667 1.00 3.40 O ATOM 0 H SER A 87 0.585 3.763 6.699 1.00 22.54 H new ATOM 0 HA SER A 87 0.195 5.375 8.959 1.00 51.02 H new ATOM 0 HB2 SER A 87 -0.161 2.481 8.203 1.00 34.42 H new ATOM 0 HB3 SER A 87 -0.288 2.909 9.897 1.00 34.42 H new ATOM 0 HG SER A 87 -2.330 3.043 8.803 1.00 3.40 H new ATOM 1458 N ALA A 88 2.805 3.388 9.171 1.00 35.55 N ATOM 1459 CA ALA A 88 4.036 3.198 9.931 1.00 24.52 C ATOM 1460 C ALA A 88 4.859 4.482 9.942 1.00 21.44 C ATOM 1461 O ALA A 88 5.461 4.844 10.957 1.00 22.51 O ATOM 1462 CB ALA A 88 4.853 2.047 9.356 1.00 62.13 C ATOM 0 H ALA A 88 2.738 2.827 8.322 1.00 35.55 H new ATOM 0 HA ALA A 88 3.769 2.948 10.958 1.00 24.52 H new ATOM 0 HB1 ALA A 88 5.766 1.923 9.938 1.00 62.13 H new ATOM 0 HB2 ALA A 88 4.268 1.128 9.399 1.00 62.13 H new ATOM 0 HB3 ALA A 88 5.110 2.265 8.319 1.00 62.13 H new ATOM 1468 N ALA A 89 4.858 5.179 8.812 1.00 44.22 N ATOM 1469 CA ALA A 89 5.581 6.435 8.680 1.00 10.31 C ATOM 1470 C ALA A 89 4.912 7.544 9.482 1.00 63.43 C ATOM 1471 O ALA A 89 5.550 8.530 9.841 1.00 52.20 O ATOM 1472 CB ALA A 89 5.698 6.832 7.218 1.00 1.34 C ATOM 0 H ALA A 89 4.360 4.892 7.969 1.00 44.22 H new ATOM 0 HA ALA A 89 6.583 6.288 9.083 1.00 10.31 H new ATOM 0 HB1 ALA A 89 6.242 7.774 7.139 1.00 1.34 H new ATOM 0 HB2 ALA A 89 6.235 6.056 6.672 1.00 1.34 H new ATOM 0 HB3 ALA A 89 4.702 6.952 6.793 1.00 1.34 H new ATOM 1478 N ILE A 90 3.626 7.399 9.733 1.00 72.34 N ATOM 1479 CA ILE A 90 2.910 8.358 10.558 1.00 54.31 C ATOM 1480 C ILE A 90 3.134 8.059 12.036 1.00 32.42 C ATOM 1481 O ILE A 90 3.276 8.972 12.854 1.00 23.50 O ATOM 1482 CB ILE A 90 1.397 8.361 10.246 1.00 42.44 C ATOM 1483 CG1 ILE A 90 1.160 8.735 8.781 1.00 2.11 C ATOM 1484 CG2 ILE A 90 0.655 9.322 11.169 1.00 10.30 C ATOM 1485 CD1 ILE A 90 -0.289 8.645 8.355 1.00 32.51 C ATOM 0 H ILE A 90 3.055 6.631 9.380 1.00 72.34 H new ATOM 0 HA ILE A 90 3.304 9.348 10.326 1.00 54.31 H new ATOM 0 HB ILE A 90 1.008 7.357 10.419 1.00 42.44 H new ATOM 0 HG12 ILE A 90 1.516 9.751 8.613 1.00 2.11 H new ATOM 0 HG13 ILE A 90 1.757 8.079 8.147 1.00 2.11 H new ATOM 0 HG21 ILE A 90 -0.409 9.307 10.931 1.00 10.30 H new ATOM 0 HG22 ILE A 90 0.799 9.016 12.205 1.00 10.30 H new ATOM 0 HG23 ILE A 90 1.044 10.331 11.032 1.00 10.30 H new ATOM 0 HD11 ILE A 90 -0.378 8.925 7.305 1.00 32.51 H new ATOM 0 HD12 ILE A 90 -0.645 7.624 8.490 1.00 32.51 H new ATOM 0 HD13 ILE A 90 -0.890 9.322 8.963 1.00 32.51 H new ATOM 1497 N LYS A 91 3.199 6.776 12.368 1.00 1.35 N ATOM 1498 CA LYS A 91 3.376 6.357 13.751 1.00 42.12 C ATOM 1499 C LYS A 91 4.767 6.736 14.239 1.00 74.32 C ATOM 1500 O LYS A 91 4.928 7.285 15.327 1.00 33.23 O ATOM 1501 CB LYS A 91 3.169 4.843 13.884 1.00 33.33 C ATOM 1502 CG LYS A 91 3.318 4.320 15.307 1.00 11.43 C ATOM 1503 CD LYS A 91 3.194 2.803 15.363 1.00 14.25 C ATOM 1504 CE LYS A 91 3.351 2.282 16.786 1.00 71.24 C ATOM 1505 NZ LYS A 91 3.213 0.802 16.864 1.00 14.42 N ATOM 0 H LYS A 91 3.132 6.009 11.699 1.00 1.35 H new ATOM 0 HA LYS A 91 2.633 6.866 14.365 1.00 42.12 H new ATOM 0 HB2 LYS A 91 2.175 4.589 13.517 1.00 33.33 H new ATOM 0 HB3 LYS A 91 3.886 4.331 13.243 1.00 33.33 H new ATOM 0 HG2 LYS A 91 4.286 4.621 15.706 1.00 11.43 H new ATOM 0 HG3 LYS A 91 2.556 4.772 15.943 1.00 11.43 H new ATOM 0 HD2 LYS A 91 2.223 2.501 14.969 1.00 14.25 H new ATOM 0 HD3 LYS A 91 3.952 2.351 14.723 1.00 14.25 H new ATOM 0 HE2 LYS A 91 4.328 2.574 17.172 1.00 71.24 H new ATOM 0 HE3 LYS A 91 2.602 2.749 17.426 1.00 71.24 H new ATOM 0 HZ1 LYS A 91 3.327 0.494 17.851 1.00 14.42 H new ATOM 0 HZ2 LYS A 91 2.272 0.523 16.521 1.00 14.42 H new ATOM 0 HZ3 LYS A 91 3.943 0.354 16.275 1.00 14.42 H new ATOM 1519 N LYS A 92 5.766 6.466 13.412 1.00 34.53 N ATOM 1520 CA LYS A 92 7.133 6.815 13.737 1.00 13.45 C ATOM 1521 C LYS A 92 8.001 6.765 12.484 1.00 14.31 C ATOM 1522 O LYS A 92 8.890 5.920 12.357 1.00 12.51 O ATOM 1523 CB LYS A 92 7.677 5.857 14.793 1.00 52.20 C ATOM 1524 CG LYS A 92 8.994 6.298 15.395 1.00 24.43 C ATOM 1525 CD LYS A 92 9.510 5.265 16.370 1.00 33.02 C ATOM 1526 CE LYS A 92 10.742 5.762 17.102 1.00 1.44 C ATOM 1527 NZ LYS A 92 10.447 6.976 17.908 1.00 15.35 N ATOM 0 H LYS A 92 5.651 6.005 12.509 1.00 34.53 H new ATOM 0 HA LYS A 92 7.154 7.829 14.135 1.00 13.45 H new ATOM 0 HB2 LYS A 92 6.941 5.753 15.590 1.00 52.20 H new ATOM 0 HB3 LYS A 92 7.804 4.871 14.345 1.00 52.20 H new ATOM 0 HG2 LYS A 92 9.726 6.455 14.603 1.00 24.43 H new ATOM 0 HG3 LYS A 92 8.865 7.253 15.904 1.00 24.43 H new ATOM 0 HD2 LYS A 92 8.730 5.021 17.091 1.00 33.02 H new ATOM 0 HD3 LYS A 92 9.749 4.345 15.836 1.00 33.02 H new ATOM 0 HE2 LYS A 92 11.121 4.975 17.754 1.00 1.44 H new ATOM 0 HE3 LYS A 92 11.529 5.985 16.381 1.00 1.44 H new ATOM 0 HZ1 LYS A 92 11.186 7.103 18.628 1.00 15.35 H new ATOM 0 HZ2 LYS A 92 10.424 7.809 17.286 1.00 15.35 H new ATOM 0 HZ3 LYS A 92 9.524 6.867 18.375 1.00 15.35 H new ATOM 1541 N GLY A 93 7.711 7.642 11.539 1.00 34.44 N ATOM 1542 CA GLY A 93 8.494 7.689 10.323 1.00 44.43 C ATOM 1543 C GLY A 93 8.838 9.101 9.897 1.00 21.02 C ATOM 1544 O GLY A 93 9.913 9.609 10.215 1.00 32.43 O ATOM 0 H GLY A 93 6.951 8.320 11.590 1.00 34.44 H new ATOM 0 HA2 GLY A 93 9.415 7.124 10.468 1.00 44.43 H new ATOM 0 HA3 GLY A 93 7.942 7.198 9.522 1.00 44.43 H new ATOM 1548 N TYR A 94 7.914 9.743 9.195 1.00 43.13 N ATOM 1549 CA TYR A 94 8.176 11.045 8.597 1.00 34.10 C ATOM 1550 C TYR A 94 6.869 11.760 8.254 1.00 53.22 C ATOM 1551 O TYR A 94 6.801 12.988 8.260 1.00 11.10 O ATOM 1552 CB TYR A 94 9.015 10.855 7.334 1.00 31.14 C ATOM 1553 CG TYR A 94 9.686 12.115 6.826 1.00 1.15 C ATOM 1554 CD1 TYR A 94 10.836 12.609 7.433 1.00 2.41 C ATOM 1555 CD2 TYR A 94 9.177 12.803 5.732 1.00 13.12 C ATOM 1556 CE1 TYR A 94 11.456 13.753 6.962 1.00 44.54 C ATOM 1557 CE2 TYR A 94 9.791 13.947 5.260 1.00 42.22 C ATOM 1558 CZ TYR A 94 10.929 14.417 5.875 1.00 2.31 C ATOM 1559 OH TYR A 94 11.541 15.556 5.401 1.00 63.15 O ATOM 0 H TYR A 94 6.975 9.383 9.026 1.00 43.13 H new ATOM 0 HA TYR A 94 8.720 11.661 9.313 1.00 34.10 H new ATOM 0 HB2 TYR A 94 9.781 10.106 7.532 1.00 31.14 H new ATOM 0 HB3 TYR A 94 8.376 10.457 6.546 1.00 31.14 H new ATOM 0 HD1 TYR A 94 11.251 12.092 8.285 1.00 2.41 H new ATOM 0 HD2 TYR A 94 8.286 12.438 5.242 1.00 13.12 H new ATOM 0 HE1 TYR A 94 12.349 14.124 7.444 1.00 44.54 H new ATOM 0 HE2 TYR A 94 9.379 14.471 4.410 1.00 42.22 H new ATOM 0 HH TYR A 94 11.042 15.899 4.630 1.00 63.15 H new ATOM 1569 N MET A 95 5.838 10.981 7.948 1.00 33.02 N ATOM 1570 CA MET A 95 4.539 11.530 7.592 1.00 75.22 C ATOM 1571 C MET A 95 3.852 12.120 8.816 1.00 14.30 C ATOM 1572 O MET A 95 3.674 11.435 9.824 1.00 12.43 O ATOM 1573 CB MET A 95 3.662 10.440 6.977 1.00 1.15 C ATOM 1574 CG MET A 95 4.172 9.918 5.644 1.00 54.52 C ATOM 1575 SD MET A 95 4.186 11.182 4.359 1.00 2.00 S ATOM 1576 CE MET A 95 2.437 11.545 4.218 1.00 71.12 C ATOM 0 H MET A 95 5.879 9.962 7.940 1.00 33.02 H new ATOM 0 HA MET A 95 4.688 12.325 6.861 1.00 75.22 H new ATOM 0 HB2 MET A 95 3.589 9.608 7.678 1.00 1.15 H new ATOM 0 HB3 MET A 95 2.654 10.832 6.841 1.00 1.15 H new ATOM 0 HG2 MET A 95 5.181 9.527 5.774 1.00 54.52 H new ATOM 0 HG3 MET A 95 3.547 9.085 5.322 1.00 54.52 H new ATOM 0 HE1 MET A 95 2.274 12.232 3.388 1.00 71.12 H new ATOM 0 HE2 MET A 95 1.887 10.621 4.038 1.00 71.12 H new ATOM 0 HE3 MET A 95 2.085 12.003 5.142 1.00 71.12 H new ATOM 1586 N GLU A 96 3.473 13.387 8.728 1.00 40.33 N ATOM 1587 CA GLU A 96 2.845 14.071 9.852 1.00 52.40 C ATOM 1588 C GLU A 96 1.341 13.806 9.901 1.00 21.23 C ATOM 1589 O GLU A 96 0.782 13.569 10.972 1.00 74.50 O ATOM 1590 CB GLU A 96 3.101 15.581 9.782 1.00 43.43 C ATOM 1591 CG GLU A 96 4.573 15.956 9.835 1.00 44.33 C ATOM 1592 CD GLU A 96 4.791 17.441 10.053 1.00 3.53 C ATOM 1593 OE1 GLU A 96 4.830 18.201 9.059 1.00 12.41 O ATOM 1594 OE2 GLU A 96 4.930 17.857 11.223 1.00 44.50 O ATOM 0 H GLU A 96 3.588 13.962 7.893 1.00 40.33 H new ATOM 0 HA GLU A 96 3.294 13.674 10.762 1.00 52.40 H new ATOM 0 HB2 GLU A 96 2.669 15.971 8.860 1.00 43.43 H new ATOM 0 HB3 GLU A 96 2.582 16.067 10.608 1.00 43.43 H new ATOM 0 HG2 GLU A 96 5.057 15.400 10.638 1.00 44.33 H new ATOM 0 HG3 GLU A 96 5.054 15.655 8.904 1.00 44.33 H new ATOM 1601 N ASN A 97 0.688 13.836 8.745 1.00 4.25 N ATOM 1602 CA ASN A 97 -0.762 13.708 8.685 1.00 21.35 C ATOM 1603 C ASN A 97 -1.163 12.513 7.837 1.00 45.23 C ATOM 1604 O ASN A 97 -0.338 11.943 7.121 1.00 11.34 O ATOM 1605 CB ASN A 97 -1.396 14.974 8.101 1.00 34.32 C ATOM 1606 CG ASN A 97 -1.117 16.212 8.929 1.00 51.05 C ATOM 1607 OD1 ASN A 97 -0.131 16.914 8.703 1.00 34.41 O ATOM 1608 ND2 ASN A 97 -1.981 16.489 9.891 1.00 41.50 N ATOM 0 H ASN A 97 1.140 13.948 7.837 1.00 4.25 H new ATOM 0 HA ASN A 97 -1.122 13.563 9.704 1.00 21.35 H new ATOM 0 HB2 ASN A 97 -1.021 15.128 7.089 1.00 34.32 H new ATOM 0 HB3 ASN A 97 -2.474 14.831 8.023 1.00 34.32 H new ATOM 0 HD21 ASN A 97 -1.843 17.311 10.479 1.00 41.50 H new ATOM 0 HD22 ASN A 97 -2.785 15.881 10.045 1.00 41.50 H new ATOM 1615 N ASP A 98 -2.432 12.147 7.919 1.00 42.33 N ATOM 1616 CA ASP A 98 -2.968 11.043 7.144 1.00 44.32 C ATOM 1617 C ASP A 98 -3.431 11.534 5.778 1.00 61.10 C ATOM 1618 O ASP A 98 -3.990 12.626 5.660 1.00 64.41 O ATOM 1619 CB ASP A 98 -4.159 10.422 7.875 1.00 41.03 C ATOM 1620 CG ASP A 98 -3.768 9.597 9.084 1.00 13.53 C ATOM 1621 OD1 ASP A 98 -3.386 8.425 8.913 1.00 3.45 O ATOM 1622 OD2 ASP A 98 -3.865 10.118 10.215 1.00 24.21 O ATOM 0 H ASP A 98 -3.115 12.605 8.522 1.00 42.33 H new ATOM 0 HA ASP A 98 -2.183 10.298 7.017 1.00 44.32 H new ATOM 0 HB2 ASP A 98 -4.834 11.217 8.191 1.00 41.03 H new ATOM 0 HB3 ASP A 98 -4.713 9.791 7.179 1.00 41.03 H new ATOM 1627 N PRO A 99 -3.220 10.729 4.729 1.00 41.35 N ATOM 1628 CA PRO A 99 -3.683 11.047 3.381 1.00 21.25 C ATOM 1629 C PRO A 99 -5.150 10.672 3.163 1.00 14.12 C ATOM 1630 O PRO A 99 -5.881 11.372 2.467 1.00 50.55 O ATOM 1631 CB PRO A 99 -2.777 10.194 2.474 1.00 23.13 C ATOM 1632 CG PRO A 99 -1.824 9.482 3.386 1.00 71.13 C ATOM 1633 CD PRO A 99 -2.457 9.482 4.748 1.00 11.54 C ATOM 0 HA PRO A 99 -3.627 12.117 3.179 1.00 21.25 H new ATOM 0 HB2 PRO A 99 -3.365 9.483 1.894 1.00 23.13 H new ATOM 0 HB3 PRO A 99 -2.240 10.820 1.761 1.00 23.13 H new ATOM 0 HG2 PRO A 99 -1.645 8.464 3.041 1.00 71.13 H new ATOM 0 HG3 PRO A 99 -0.858 9.986 3.407 1.00 71.13 H new ATOM 0 HD2 PRO A 99 -3.098 8.614 4.900 1.00 11.54 H new ATOM 0 HD3 PRO A 99 -1.712 9.471 5.544 1.00 11.54 H new ATOM 1641 N PHE A 100 -5.573 9.570 3.776 1.00 1.43 N ATOM 1642 CA PHE A 100 -6.916 9.041 3.560 1.00 14.21 C ATOM 1643 C PHE A 100 -7.953 9.787 4.390 1.00 44.25 C ATOM 1644 O PHE A 100 -9.113 9.891 3.991 1.00 44.14 O ATOM 1645 CB PHE A 100 -6.960 7.539 3.860 1.00 1.21 C ATOM 1646 CG PHE A 100 -6.445 7.150 5.221 1.00 23.41 C ATOM 1647 CD1 PHE A 100 -5.098 6.890 5.416 1.00 55.43 C ATOM 1648 CD2 PHE A 100 -7.307 7.030 6.298 1.00 72.41 C ATOM 1649 CE1 PHE A 100 -4.623 6.520 6.659 1.00 43.41 C ATOM 1650 CE2 PHE A 100 -6.837 6.662 7.543 1.00 43.33 C ATOM 1651 CZ PHE A 100 -5.493 6.405 7.723 1.00 34.05 C ATOM 0 H PHE A 100 -5.005 9.026 4.426 1.00 1.43 H new ATOM 0 HA PHE A 100 -7.165 9.192 2.510 1.00 14.21 H new ATOM 0 HB2 PHE A 100 -7.990 7.194 3.765 1.00 1.21 H new ATOM 0 HB3 PHE A 100 -6.377 7.015 3.103 1.00 1.21 H new ATOM 0 HD1 PHE A 100 -4.412 6.978 4.587 1.00 55.43 H new ATOM 0 HD2 PHE A 100 -8.360 7.227 6.162 1.00 72.41 H new ATOM 0 HE1 PHE A 100 -3.571 6.321 6.798 1.00 43.41 H new ATOM 0 HE2 PHE A 100 -7.520 6.575 8.375 1.00 43.33 H new ATOM 0 HZ PHE A 100 -5.123 6.114 8.695 1.00 34.05 H new ATOM 1661 N LYS A 101 -7.526 10.304 5.535 1.00 12.42 N ATOM 1662 CA LYS A 101 -8.363 11.112 6.390 1.00 54.31 C ATOM 1663 C LYS A 101 -9.115 12.185 5.613 1.00 14.31 C ATOM 1664 O LYS A 101 -10.327 12.352 5.769 1.00 15.43 O ATOM 1665 CB LYS A 101 -7.480 11.763 7.438 1.00 74.32 C ATOM 1666 CG LYS A 101 -7.600 11.127 8.800 1.00 34.13 C ATOM 1667 CD LYS A 101 -8.993 11.304 9.351 1.00 22.34 C ATOM 1668 CE LYS A 101 -9.074 10.793 10.764 1.00 31.11 C ATOM 1669 NZ LYS A 101 -10.304 11.266 11.452 1.00 30.41 N ATOM 0 H LYS A 101 -6.580 10.169 5.893 1.00 12.42 H new ATOM 0 HA LYS A 101 -9.112 10.469 6.851 1.00 54.31 H new ATOM 0 HB2 LYS A 101 -6.442 11.711 7.111 1.00 74.32 H new ATOM 0 HB3 LYS A 101 -7.738 12.819 7.514 1.00 74.32 H new ATOM 0 HG2 LYS A 101 -7.362 10.065 8.733 1.00 34.13 H new ATOM 0 HG3 LYS A 101 -6.875 11.574 9.480 1.00 34.13 H new ATOM 0 HD2 LYS A 101 -9.269 12.358 9.324 1.00 22.34 H new ATOM 0 HD3 LYS A 101 -9.708 10.771 8.724 1.00 22.34 H new ATOM 0 HE2 LYS A 101 -9.057 9.703 10.758 1.00 31.11 H new ATOM 0 HE3 LYS A 101 -8.197 11.122 11.321 1.00 31.11 H new ATOM 0 HZ1 LYS A 101 -10.324 10.893 12.423 1.00 30.41 H new ATOM 0 HZ2 LYS A 101 -10.308 12.306 11.480 1.00 30.41 H new ATOM 0 HZ3 LYS A 101 -11.142 10.930 10.935 1.00 30.41 H new ATOM 1683 N ASP A 102 -8.392 12.896 4.765 1.00 33.01 N ATOM 1684 CA ASP A 102 -8.951 14.009 4.028 1.00 4.21 C ATOM 1685 C ASP A 102 -9.091 13.673 2.552 1.00 55.32 C ATOM 1686 O ASP A 102 -9.092 14.561 1.701 1.00 21.22 O ATOM 1687 CB ASP A 102 -8.063 15.231 4.207 1.00 2.13 C ATOM 1688 CG ASP A 102 -8.163 15.823 5.599 1.00 62.04 C ATOM 1689 OD1 ASP A 102 -9.081 16.631 5.845 1.00 11.21 O ATOM 1690 OD2 ASP A 102 -7.321 15.482 6.457 1.00 54.22 O ATOM 0 H ASP A 102 -7.407 12.717 4.571 1.00 33.01 H new ATOM 0 HA ASP A 102 -9.947 14.221 4.418 1.00 4.21 H new ATOM 0 HB2 ASP A 102 -7.028 14.956 4.006 1.00 2.13 H new ATOM 0 HB3 ASP A 102 -8.340 15.988 3.473 1.00 2.13 H new ATOM 1695 N PHE A 103 -9.242 12.390 2.266 1.00 55.53 N ATOM 1696 CA PHE A 103 -9.414 11.906 0.902 1.00 11.31 C ATOM 1697 C PHE A 103 -10.799 12.289 0.396 1.00 0.42 C ATOM 1698 O PHE A 103 -11.746 11.510 0.472 1.00 25.33 O ATOM 1699 CB PHE A 103 -9.218 10.384 0.852 1.00 13.24 C ATOM 1700 CG PHE A 103 -9.144 9.804 -0.536 1.00 24.51 C ATOM 1701 CD1 PHE A 103 -7.928 9.701 -1.193 1.00 72.21 C ATOM 1702 CD2 PHE A 103 -10.288 9.350 -1.179 1.00 4.10 C ATOM 1703 CE1 PHE A 103 -7.853 9.158 -2.461 1.00 5.41 C ATOM 1704 CE2 PHE A 103 -10.217 8.809 -2.448 1.00 74.32 C ATOM 1705 CZ PHE A 103 -8.998 8.713 -3.089 1.00 74.10 C ATOM 0 H PHE A 103 -9.249 11.653 2.971 1.00 55.53 H new ATOM 0 HA PHE A 103 -8.665 12.366 0.257 1.00 11.31 H new ATOM 0 HB2 PHE A 103 -8.302 10.132 1.386 1.00 13.24 H new ATOM 0 HB3 PHE A 103 -10.040 9.908 1.387 1.00 13.24 H new ATOM 0 HD1 PHE A 103 -7.028 10.049 -0.708 1.00 72.21 H new ATOM 0 HD2 PHE A 103 -11.244 9.421 -0.681 1.00 4.10 H new ATOM 0 HE1 PHE A 103 -6.898 9.082 -2.961 1.00 5.41 H new ATOM 0 HE2 PHE A 103 -11.114 8.461 -2.938 1.00 74.32 H new ATOM 0 HZ PHE A 103 -8.941 8.290 -4.081 1.00 74.10 H new