USER MOD reduce.3.24.130724 H: found=0, std=0, add=1068, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1069 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 59 GLN : amide:sc= 0.382 K(o=1.5,f=-2.8) USER MOD Set 1.2: B 68 HIS : no HE2:sc= 1.09 K(o=1.5,f=-8.4!) USER MOD Set 2.1: B 19 SER OG : rot 180:sc= 1.03 USER MOD Set 2.2: B 20 SER OG : rot 180:sc= 0 USER MOD Set 2.3: B 57 SER OG : rot -40:sc= 1.21 USER MOD Set 3.1: B 7 THR OG1 : rot 175:sc= -0.341 USER MOD Set 3.2: B 9 THR OG1 : rot 180:sc= 0.00719 USER MOD Single : A 7 LYS NZ :NH3+ 158:sc= 0.847 (180deg=-0.697!) USER MOD Single : A 12 GLN : amide:sc= -0.356 X(o=-0.36,f=-0.76) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 MET CE :methyl 137:sc= -0.156 (180deg=-0.767) USER MOD Single : A 19 SER OG : rot 124:sc= 1.23 USER MOD Single : A 20 GLN : amide:sc= -0.583 K(o=-0.58,f=-1.7) USER MOD Single : A 24 THR OG1 : rot -131:sc= 0.803 USER MOD Single : A 26 LYS NZ :NH3+ -166:sc= 1.05 (180deg=-0.00946) USER MOD Single : A 27 SER OG : rot 109:sc= 1.28 USER MOD Single : A 30 LYS NZ :NH3+ 162:sc= -0.332 (180deg=-0.489) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 165:sc= -0.0202 (180deg=-0.208) USER MOD Single : A 38 LYS NZ :NH3+ 138:sc= 1.02 (180deg=0.384) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 140:sc= -0.283 (180deg=-1.22) USER MOD Single : A 45 CYS SG : rot 170:sc= -0.551 USER MOD Single : A 46 GLN : amide:sc= -1.09 K(o=-1.1,f=-3.2!) USER MOD Single : A 50 SER OG : rot -170:sc= -1.25 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl -164:sc= -0.786 (180deg=-1.56) USER MOD Single : B 1 MET N :NH3+ 138:sc= 1.2 (180deg=1.04) USER MOD Single : B 2 GLN : amide:sc= 1.14 K(o=1.1,f=-0.0019) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 THR OG1 : rot 170:sc= -1.06 USER MOD Single : B 14 THR OG1 : rot -99:sc= 0.275 USER MOD Single : B 22 THR OG1 : rot 180:sc= -0.18 USER MOD Single : B 25 ASN : amide:sc= 1.06 K(o=1.1,f=-1.4!) USER MOD Single : B 27 LYS NZ :NH3+ -163:sc= 2.41 (180deg=2.03) USER MOD Single : B 28 SER OG : rot 69:sc= 0.99 USER MOD Single : B 29 LYS NZ :NH3+ 179:sc= 0.832 (180deg=0.819) USER MOD Single : B 31 GLN : amide:sc= -1.12 K(o=-1.1,f=-0.19) USER MOD Single : B 33 LYS NZ :NH3+ -164:sc= 1.09 (180deg=0.555) USER MOD Single : B 40 GLN : amide:sc= -0.616 X(o=-0.62,f=-0.77) USER MOD Single : B 41 GLN : amide:sc= -0.927 K(o=-0.93,f=-4.4!) USER MOD Single : B 48 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0359) USER MOD Single : B 49 GLN : amide:sc= -1.54! C(o=-1.5!,f=-7.8!) USER MOD Single : B 55 THR OG1 : rot -63:sc= 1.25 USER MOD Single : B 59 TYR OH : rot 39:sc= 1.68 USER MOD Single : B 60 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : B 62 GLN : amide:sc= -0.806 K(o=-0.81,f=0) USER MOD Single : B 63 LYS NZ :NH3+ 168:sc=-0.00778 (180deg=-0.155) USER MOD Single : B 65 SER OG : rot 132:sc= 0.828 USER MOD Single : B 66 THR OG1 : rot -27:sc= 0.0458 USER MOD ----------------------------------------------------------------- ATOM 96 N LYS A 7 -19.167 3.738 1.294 1.00 0.00 N ATOM 97 CA LYS A 7 -18.597 3.902 -0.028 1.00 0.00 C ATOM 98 C LYS A 7 -18.277 2.537 -0.619 1.00 0.00 C ATOM 99 O LYS A 7 -18.128 1.556 0.107 1.00 0.00 O ATOM 100 CB LYS A 7 -17.340 4.775 0.036 1.00 0.00 C ATOM 101 CG LYS A 7 -17.603 6.183 0.548 1.00 0.00 C ATOM 102 CD LYS A 7 -16.322 6.993 0.653 1.00 0.00 C ATOM 103 CE LYS A 7 -16.591 8.397 1.170 1.00 0.00 C ATOM 104 NZ LYS A 7 -15.340 9.191 1.284 1.00 0.00 N ATOM 0 HA LYS A 7 -19.321 4.402 -0.671 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -16.606 4.294 0.682 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -16.899 4.835 -0.959 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -18.299 6.689 -0.121 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -18.081 6.131 1.526 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -15.624 6.486 1.319 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -15.845 7.050 -0.325 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -17.284 8.905 0.499 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -17.075 8.339 2.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -15.570 10.205 1.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -14.860 8.956 2.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -14.713 8.968 0.485 1.00 0.00 H new ATOM 118 N ARG A 8 -18.187 2.467 -1.932 1.00 0.00 N ATOM 119 CA ARG A 8 -17.952 1.202 -2.605 1.00 0.00 C ATOM 120 C ARG A 8 -16.737 1.312 -3.512 1.00 0.00 C ATOM 121 O ARG A 8 -16.486 2.364 -4.099 1.00 0.00 O ATOM 122 CB ARG A 8 -19.178 0.801 -3.427 1.00 0.00 C ATOM 123 CG ARG A 8 -20.486 0.880 -2.660 1.00 0.00 C ATOM 124 CD ARG A 8 -21.671 0.578 -3.556 1.00 0.00 C ATOM 125 NE ARG A 8 -22.945 0.833 -2.889 1.00 0.00 N ATOM 126 CZ ARG A 8 -24.032 0.084 -3.057 1.00 0.00 C ATOM 127 NH1 ARG A 8 -23.991 -0.980 -3.848 1.00 0.00 N ATOM 128 NH2 ARG A 8 -25.161 0.398 -2.440 1.00 0.00 N ATOM 0 H ARG A 8 -18.273 3.270 -2.555 1.00 0.00 H new ATOM 0 HA ARG A 8 -17.768 0.436 -1.851 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -19.243 1.446 -4.303 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -19.042 -0.218 -3.790 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -20.466 0.174 -1.830 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -20.598 1.875 -2.229 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -21.607 1.186 -4.458 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -21.630 -0.465 -3.871 1.00 0.00 H new ATOM 0 HE ARG A 8 -23.005 1.632 -2.258 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -23.125 -1.225 -4.329 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -24.825 -1.553 -3.976 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -25.200 1.217 -1.833 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -25.992 -0.179 -2.572 1.00 0.00 H new ATOM 142 N GLY A 9 -15.980 0.236 -3.622 1.00 0.00 N ATOM 143 CA GLY A 9 -14.824 0.247 -4.486 1.00 0.00 C ATOM 144 C GLY A 9 -14.430 -1.139 -4.935 1.00 0.00 C ATOM 145 O GLY A 9 -15.028 -2.133 -4.514 1.00 0.00 O ATOM 0 H GLY A 9 -16.144 -0.642 -3.130 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -15.033 0.864 -5.360 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -13.987 0.709 -3.963 1.00 0.00 H new ATOM 149 N ILE A 10 -13.437 -1.206 -5.801 1.00 0.00 N ATOM 150 CA ILE A 10 -12.898 -2.474 -6.253 1.00 0.00 C ATOM 151 C ILE A 10 -11.391 -2.486 -6.036 1.00 0.00 C ATOM 152 O ILE A 10 -10.698 -1.535 -6.404 1.00 0.00 O ATOM 153 CB ILE A 10 -13.208 -2.731 -7.747 1.00 0.00 C ATOM 154 CG1 ILE A 10 -14.718 -2.663 -7.997 1.00 0.00 C ATOM 155 CG2 ILE A 10 -12.656 -4.086 -8.181 1.00 0.00 C ATOM 156 CD1 ILE A 10 -15.102 -2.831 -9.452 1.00 0.00 C ATOM 0 H ILE A 10 -12.984 -0.388 -6.209 1.00 0.00 H new ATOM 0 HA ILE A 10 -13.371 -3.267 -5.674 1.00 0.00 H new ATOM 0 HB ILE A 10 -12.723 -1.956 -8.340 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -15.210 -3.438 -7.409 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -15.094 -1.704 -7.640 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -12.883 -4.251 -9.234 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -11.576 -4.102 -8.035 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -13.115 -4.874 -7.584 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -16.186 -2.772 -9.551 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -14.639 -2.041 -10.044 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -14.758 -3.801 -9.810 1.00 0.00 H new ATOM 168 N VAL A 11 -10.892 -3.544 -5.416 1.00 0.00 N ATOM 169 CA VAL A 11 -9.468 -3.669 -5.149 1.00 0.00 C ATOM 170 C VAL A 11 -8.724 -4.136 -6.401 1.00 0.00 C ATOM 171 O VAL A 11 -9.064 -5.161 -6.997 1.00 0.00 O ATOM 172 CB VAL A 11 -9.200 -4.623 -3.960 1.00 0.00 C ATOM 173 CG1 VAL A 11 -9.981 -5.919 -4.107 1.00 0.00 C ATOM 174 CG2 VAL A 11 -7.715 -4.904 -3.817 1.00 0.00 C ATOM 0 H VAL A 11 -11.453 -4.330 -5.088 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.091 -2.684 -4.873 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.543 -4.127 -3.052 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -9.772 -6.568 -3.257 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.048 -5.699 -4.142 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.684 -6.420 -5.028 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -7.551 -5.577 -2.975 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -7.343 -5.369 -4.730 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -7.183 -3.969 -3.643 1.00 0.00 H new ATOM 184 N GLN A 12 -7.719 -3.368 -6.805 1.00 0.00 N ATOM 185 CA GLN A 12 -7.018 -3.627 -8.059 1.00 0.00 C ATOM 186 C GLN A 12 -5.710 -4.380 -7.842 1.00 0.00 C ATOM 187 O GLN A 12 -5.238 -5.083 -8.737 1.00 0.00 O ATOM 188 CB GLN A 12 -6.740 -2.312 -8.788 1.00 0.00 C ATOM 189 CG GLN A 12 -7.994 -1.515 -9.098 1.00 0.00 C ATOM 190 CD GLN A 12 -9.005 -2.301 -9.908 1.00 0.00 C ATOM 191 OE1 GLN A 12 -8.647 -3.178 -10.694 1.00 0.00 O ATOM 192 NE2 GLN A 12 -10.274 -1.990 -9.721 1.00 0.00 N ATOM 0 H GLN A 12 -7.371 -2.563 -6.285 1.00 0.00 H new ATOM 0 HA GLN A 12 -7.667 -4.257 -8.667 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -6.073 -1.702 -8.179 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -6.215 -2.526 -9.719 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -8.455 -1.194 -8.164 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -7.720 -0.613 -9.645 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.527 -1.256 -9.059 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.002 -2.484 -10.238 1.00 0.00 H new ATOM 201 N TYR A 13 -5.125 -4.237 -6.664 1.00 0.00 N ATOM 202 CA TYR A 13 -3.850 -4.875 -6.369 1.00 0.00 C ATOM 203 C TYR A 13 -4.012 -5.901 -5.259 1.00 0.00 C ATOM 204 O TYR A 13 -4.808 -5.710 -4.343 1.00 0.00 O ATOM 205 CB TYR A 13 -2.802 -3.838 -5.955 1.00 0.00 C ATOM 206 CG TYR A 13 -2.449 -2.837 -7.031 1.00 0.00 C ATOM 207 CD1 TYR A 13 -3.144 -1.639 -7.153 1.00 0.00 C ATOM 208 CD2 TYR A 13 -1.408 -3.084 -7.916 1.00 0.00 C ATOM 209 CE1 TYR A 13 -2.813 -0.720 -8.130 1.00 0.00 C ATOM 210 CE2 TYR A 13 -1.069 -2.168 -8.893 1.00 0.00 C ATOM 211 CZ TYR A 13 -1.773 -0.989 -8.996 1.00 0.00 C ATOM 212 OH TYR A 13 -1.435 -0.075 -9.967 1.00 0.00 O ATOM 0 H TYR A 13 -5.511 -3.686 -5.897 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.511 -5.376 -7.276 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.169 -3.299 -5.082 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.895 -4.359 -5.650 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.955 -1.423 -6.473 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.854 -4.008 -7.839 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.365 0.204 -8.215 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.256 -2.376 -9.573 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.681 -0.418 -10.491 1.00 0.00 H new ATOM 222 N ASP A 14 -3.263 -6.987 -5.350 1.00 0.00 N ATOM 223 CA ASP A 14 -3.276 -8.006 -4.311 1.00 0.00 C ATOM 224 C ASP A 14 -2.417 -7.544 -3.146 1.00 0.00 C ATOM 225 O ASP A 14 -1.382 -6.908 -3.348 1.00 0.00 O ATOM 226 CB ASP A 14 -2.746 -9.347 -4.836 1.00 0.00 C ATOM 227 CG ASP A 14 -3.528 -9.882 -6.019 1.00 0.00 C ATOM 228 OD1 ASP A 14 -4.655 -10.391 -5.821 1.00 0.00 O ATOM 229 OD2 ASP A 14 -3.012 -9.810 -7.159 1.00 0.00 O ATOM 0 H ASP A 14 -2.638 -7.187 -6.131 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.306 -8.152 -3.987 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.701 -9.229 -5.124 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.773 -10.081 -4.030 1.00 0.00 H new ATOM 234 N PHE A 15 -2.846 -7.847 -1.934 1.00 0.00 N ATOM 235 CA PHE A 15 -2.094 -7.459 -0.749 1.00 0.00 C ATOM 236 C PHE A 15 -2.275 -8.483 0.358 1.00 0.00 C ATOM 237 O PHE A 15 -3.386 -8.929 0.624 1.00 0.00 O ATOM 238 CB PHE A 15 -2.533 -6.076 -0.261 1.00 0.00 C ATOM 239 CG PHE A 15 -1.851 -5.643 1.004 1.00 0.00 C ATOM 240 CD1 PHE A 15 -0.528 -5.233 0.989 1.00 0.00 C ATOM 241 CD2 PHE A 15 -2.534 -5.654 2.211 1.00 0.00 C ATOM 242 CE1 PHE A 15 0.102 -4.844 2.154 1.00 0.00 C ATOM 243 CE2 PHE A 15 -1.909 -5.266 3.377 1.00 0.00 C ATOM 244 CZ PHE A 15 -0.589 -4.860 3.349 1.00 0.00 C ATOM 0 H PHE A 15 -3.707 -8.358 -1.742 1.00 0.00 H new ATOM 0 HA PHE A 15 -1.038 -7.416 -1.017 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -2.332 -5.343 -1.042 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -3.611 -6.082 -0.100 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.016 -5.218 0.056 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -3.566 -5.970 2.238 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.134 -4.527 2.131 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.451 -5.279 4.311 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.098 -4.555 4.261 1.00 0.00 H new ATOM 254 N MET A 16 -1.178 -8.849 0.999 1.00 0.00 N ATOM 255 CA MET A 16 -1.215 -9.790 2.106 1.00 0.00 C ATOM 256 C MET A 16 -0.959 -9.059 3.417 1.00 0.00 C ATOM 257 O MET A 16 0.011 -8.311 3.544 1.00 0.00 O ATOM 258 CB MET A 16 -0.187 -10.908 1.893 1.00 0.00 C ATOM 259 CG MET A 16 1.236 -10.403 1.717 1.00 0.00 C ATOM 260 SD MET A 16 2.409 -11.722 1.355 1.00 0.00 S ATOM 261 CE MET A 16 1.781 -12.317 -0.214 1.00 0.00 C ATOM 0 H MET A 16 -0.245 -8.506 0.770 1.00 0.00 H new ATOM 0 HA MET A 16 -2.204 -10.246 2.151 1.00 0.00 H new ATOM 0 HB2 MET A 16 -0.220 -11.587 2.745 1.00 0.00 H new ATOM 0 HB3 MET A 16 -0.469 -11.487 1.013 1.00 0.00 H new ATOM 0 HG2 MET A 16 1.259 -9.671 0.909 1.00 0.00 H new ATOM 0 HG3 MET A 16 1.547 -9.886 2.625 1.00 0.00 H new ATOM 0 HE1 MET A 16 2.613 -12.492 -0.896 1.00 0.00 H new ATOM 0 HE2 MET A 16 1.237 -13.248 -0.058 1.00 0.00 H new ATOM 0 HE3 MET A 16 1.111 -11.572 -0.644 1.00 0.00 H new ATOM 271 N ALA A 17 -1.845 -9.261 4.378 1.00 0.00 N ATOM 272 CA ALA A 17 -1.760 -8.573 5.658 1.00 0.00 C ATOM 273 C ALA A 17 -0.931 -9.365 6.656 1.00 0.00 C ATOM 274 O ALA A 17 -0.986 -10.597 6.679 1.00 0.00 O ATOM 275 CB ALA A 17 -3.152 -8.339 6.209 1.00 0.00 C ATOM 0 H ALA A 17 -2.636 -9.899 4.296 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.267 -7.614 5.497 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.082 -7.824 7.167 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.722 -7.728 5.509 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.654 -9.296 6.348 1.00 0.00 H new ATOM 281 N GLU A 18 -0.177 -8.659 7.489 1.00 0.00 N ATOM 282 CA GLU A 18 0.660 -9.308 8.489 1.00 0.00 C ATOM 283 C GLU A 18 0.018 -9.240 9.873 1.00 0.00 C ATOM 284 O GLU A 18 0.350 -10.028 10.760 1.00 0.00 O ATOM 285 CB GLU A 18 2.054 -8.676 8.523 1.00 0.00 C ATOM 286 CG GLU A 18 2.050 -7.186 8.816 1.00 0.00 C ATOM 287 CD GLU A 18 3.428 -6.657 9.139 1.00 0.00 C ATOM 288 OE1 GLU A 18 3.819 -6.712 10.323 1.00 0.00 O ATOM 289 OE2 GLU A 18 4.126 -6.187 8.220 1.00 0.00 O ATOM 0 H GLU A 18 -0.128 -7.640 7.492 1.00 0.00 H new ATOM 0 HA GLU A 18 0.758 -10.357 8.208 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.653 -9.183 9.279 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.542 -8.846 7.563 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.651 -6.650 7.954 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.382 -6.985 9.653 1.00 0.00 H new ATOM 296 N SER A 19 -0.904 -8.307 10.052 1.00 0.00 N ATOM 297 CA SER A 19 -1.565 -8.136 11.337 1.00 0.00 C ATOM 298 C SER A 19 -3.059 -8.442 11.220 1.00 0.00 C ATOM 299 O SER A 19 -3.597 -8.515 10.115 1.00 0.00 O ATOM 300 CB SER A 19 -1.354 -6.714 11.846 1.00 0.00 C ATOM 301 OG SER A 19 0.009 -6.331 11.741 1.00 0.00 O ATOM 0 H SER A 19 -1.211 -7.659 9.327 1.00 0.00 H new ATOM 0 HA SER A 19 -1.128 -8.836 12.049 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.974 -6.024 11.274 1.00 0.00 H new ATOM 0 HB3 SER A 19 -1.675 -6.645 12.885 1.00 0.00 H new ATOM 0 HG SER A 19 0.078 -5.510 11.210 1.00 0.00 H new ATOM 307 N GLN A 20 -3.721 -8.611 12.362 1.00 0.00 N ATOM 308 CA GLN A 20 -5.145 -8.950 12.387 1.00 0.00 C ATOM 309 C GLN A 20 -6.007 -7.737 12.046 1.00 0.00 C ATOM 310 O GLN A 20 -7.133 -7.876 11.569 1.00 0.00 O ATOM 311 CB GLN A 20 -5.539 -9.540 13.754 1.00 0.00 C ATOM 312 CG GLN A 20 -5.252 -8.635 14.949 1.00 0.00 C ATOM 313 CD GLN A 20 -6.343 -7.606 15.209 1.00 0.00 C ATOM 314 OE1 GLN A 20 -7.521 -7.845 14.941 1.00 0.00 O ATOM 315 NE2 GLN A 20 -5.956 -6.456 15.734 1.00 0.00 N ATOM 0 H GLN A 20 -3.295 -8.519 13.284 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.324 -9.708 11.624 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -6.604 -9.773 13.740 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.009 -10.482 13.894 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.126 -9.251 15.839 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.307 -8.117 14.783 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -4.970 -6.296 15.942 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -6.643 -5.728 15.931 1.00 0.00 H new ATOM 324 N ASP A 21 -5.467 -6.549 12.283 1.00 0.00 N ATOM 325 CA ASP A 21 -6.171 -5.309 11.973 1.00 0.00 C ATOM 326 C ASP A 21 -6.016 -4.961 10.499 1.00 0.00 C ATOM 327 O ASP A 21 -6.716 -4.097 9.968 1.00 0.00 O ATOM 328 CB ASP A 21 -5.661 -4.166 12.858 1.00 0.00 C ATOM 329 CG ASP A 21 -4.158 -3.973 12.778 1.00 0.00 C ATOM 330 OD1 ASP A 21 -3.413 -4.886 13.198 1.00 0.00 O ATOM 331 OD2 ASP A 21 -3.710 -2.899 12.321 1.00 0.00 O ATOM 0 H ASP A 21 -4.541 -6.416 12.690 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.232 -5.453 12.179 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.156 -3.240 12.565 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.941 -4.364 13.893 1.00 0.00 H new ATOM 336 N GLU A 22 -5.108 -5.658 9.841 1.00 0.00 N ATOM 337 CA GLU A 22 -4.876 -5.482 8.420 1.00 0.00 C ATOM 338 C GLU A 22 -5.654 -6.544 7.643 1.00 0.00 C ATOM 339 O GLU A 22 -5.901 -7.635 8.162 1.00 0.00 O ATOM 340 CB GLU A 22 -3.380 -5.597 8.128 1.00 0.00 C ATOM 341 CG GLU A 22 -2.531 -4.576 8.871 1.00 0.00 C ATOM 342 CD GLU A 22 -1.057 -4.927 8.864 1.00 0.00 C ATOM 343 OE1 GLU A 22 -0.606 -5.622 7.931 1.00 0.00 O ATOM 344 OE2 GLU A 22 -0.340 -4.527 9.809 1.00 0.00 O ATOM 0 H GLU A 22 -4.511 -6.361 10.276 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.219 -4.495 8.110 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.043 -6.599 8.394 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.218 -5.480 7.056 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.669 -3.595 8.417 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.878 -4.502 9.902 1.00 0.00 H new ATOM 351 N LEU A 23 -6.036 -6.237 6.410 1.00 0.00 N ATOM 352 CA LEU A 23 -6.843 -7.160 5.616 1.00 0.00 C ATOM 353 C LEU A 23 -6.103 -7.610 4.359 1.00 0.00 C ATOM 354 O LEU A 23 -5.595 -6.788 3.595 1.00 0.00 O ATOM 355 CB LEU A 23 -8.172 -6.502 5.228 1.00 0.00 C ATOM 356 CG LEU A 23 -9.152 -7.393 4.457 1.00 0.00 C ATOM 357 CD1 LEU A 23 -9.577 -8.586 5.301 1.00 0.00 C ATOM 358 CD2 LEU A 23 -10.368 -6.591 4.018 1.00 0.00 C ATOM 0 H LEU A 23 -5.803 -5.363 5.939 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.039 -8.040 6.228 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -8.663 -6.154 6.137 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.958 -5.621 4.624 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.645 -7.768 3.568 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.272 -9.204 4.733 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.699 -9.176 5.565 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.064 -8.233 6.210 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -11.053 -7.239 3.472 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -10.873 -6.186 4.895 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -10.050 -5.773 3.372 1.00 0.00 H new ATOM 370 N THR A 24 -6.035 -8.919 4.165 1.00 0.00 N ATOM 371 CA THR A 24 -5.478 -9.486 2.948 1.00 0.00 C ATOM 372 C THR A 24 -6.494 -9.383 1.813 1.00 0.00 C ATOM 373 O THR A 24 -7.567 -9.987 1.865 1.00 0.00 O ATOM 374 CB THR A 24 -5.073 -10.962 3.157 1.00 0.00 C ATOM 375 OG1 THR A 24 -4.108 -11.051 4.215 1.00 0.00 O ATOM 376 CG2 THR A 24 -4.491 -11.570 1.888 1.00 0.00 C ATOM 0 H THR A 24 -6.361 -9.611 4.840 1.00 0.00 H new ATOM 0 HA THR A 24 -4.584 -8.920 2.687 1.00 0.00 H new ATOM 0 HB THR A 24 -5.971 -11.522 3.419 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.350 -11.598 3.921 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.218 -12.609 2.074 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.233 -11.527 1.091 1.00 0.00 H new ATOM 0 HG23 THR A 24 -3.605 -11.010 1.589 1.00 0.00 H new ATOM 384 N ILE A 25 -6.155 -8.607 0.799 1.00 0.00 N ATOM 385 CA ILE A 25 -7.064 -8.351 -0.306 1.00 0.00 C ATOM 386 C ILE A 25 -6.592 -9.022 -1.587 1.00 0.00 C ATOM 387 O ILE A 25 -5.408 -9.318 -1.756 1.00 0.00 O ATOM 388 CB ILE A 25 -7.251 -6.841 -0.554 1.00 0.00 C ATOM 389 CG1 ILE A 25 -5.892 -6.136 -0.616 1.00 0.00 C ATOM 390 CG2 ILE A 25 -8.127 -6.240 0.531 1.00 0.00 C ATOM 391 CD1 ILE A 25 -5.981 -4.640 -0.827 1.00 0.00 C ATOM 0 H ILE A 25 -5.252 -8.140 0.717 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.025 -8.778 -0.020 1.00 0.00 H new ATOM 0 HB ILE A 25 -7.747 -6.699 -1.514 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -5.352 -6.330 0.311 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -5.305 -6.572 -1.425 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -8.253 -5.173 0.347 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.102 -6.727 0.523 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.655 -6.387 1.503 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.977 -4.217 -0.859 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -6.492 -4.435 -1.768 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.539 -4.189 -0.006 1.00 0.00 H new ATOM 403 N LYS A 26 -7.535 -9.247 -2.485 1.00 0.00 N ATOM 404 CA LYS A 26 -7.278 -9.958 -3.727 1.00 0.00 C ATOM 405 C LYS A 26 -7.842 -9.179 -4.912 1.00 0.00 C ATOM 406 O LYS A 26 -8.994 -8.747 -4.889 1.00 0.00 O ATOM 407 CB LYS A 26 -7.893 -11.361 -3.642 1.00 0.00 C ATOM 408 CG LYS A 26 -9.293 -11.366 -3.044 1.00 0.00 C ATOM 409 CD LYS A 26 -9.727 -12.756 -2.603 1.00 0.00 C ATOM 410 CE LYS A 26 -9.928 -13.689 -3.783 1.00 0.00 C ATOM 411 NZ LYS A 26 -10.945 -13.165 -4.732 1.00 0.00 N ATOM 0 H LYS A 26 -8.502 -8.942 -2.374 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.203 -10.054 -3.878 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.930 -11.796 -4.641 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.245 -11.999 -3.040 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.323 -10.690 -2.189 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -10.001 -10.983 -3.779 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.976 -13.175 -1.933 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.655 -12.683 -2.036 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.980 -13.826 -4.304 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.238 -14.670 -3.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.229 -13.920 -5.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.777 -12.836 -4.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.541 -12.372 -5.270 1.00 0.00 H new ATOM 425 N SER A 27 -7.021 -9.003 -5.941 1.00 0.00 N ATOM 426 CA SER A 27 -7.381 -8.187 -7.095 1.00 0.00 C ATOM 427 C SER A 27 -8.666 -8.676 -7.758 1.00 0.00 C ATOM 428 O SER A 27 -8.785 -9.849 -8.120 1.00 0.00 O ATOM 429 CB SER A 27 -6.238 -8.194 -8.109 1.00 0.00 C ATOM 430 OG SER A 27 -6.530 -7.377 -9.234 1.00 0.00 O ATOM 0 H SER A 27 -6.092 -9.419 -5.999 1.00 0.00 H new ATOM 0 HA SER A 27 -7.557 -7.171 -6.743 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.324 -7.841 -7.630 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.051 -9.216 -8.440 1.00 0.00 H new ATOM 0 HG SER A 27 -5.968 -6.574 -9.210 1.00 0.00 H new ATOM 436 N GLY A 28 -9.632 -7.776 -7.894 1.00 0.00 N ATOM 437 CA GLY A 28 -10.861 -8.108 -8.585 1.00 0.00 C ATOM 438 C GLY A 28 -12.034 -8.299 -7.646 1.00 0.00 C ATOM 439 O GLY A 28 -13.178 -8.417 -8.093 1.00 0.00 O ATOM 0 H GLY A 28 -9.585 -6.822 -7.537 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.097 -7.316 -9.296 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.712 -9.021 -9.162 1.00 0.00 H new ATOM 443 N ASP A 29 -11.766 -8.328 -6.346 1.00 0.00 N ATOM 444 CA ASP A 29 -12.824 -8.528 -5.362 1.00 0.00 C ATOM 445 C ASP A 29 -13.534 -7.209 -5.071 1.00 0.00 C ATOM 446 O ASP A 29 -12.967 -6.129 -5.258 1.00 0.00 O ATOM 447 CB ASP A 29 -12.261 -9.125 -4.067 1.00 0.00 C ATOM 448 CG ASP A 29 -13.087 -10.297 -3.560 1.00 0.00 C ATOM 449 OD1 ASP A 29 -14.159 -10.064 -2.960 1.00 0.00 O ATOM 450 OD2 ASP A 29 -12.671 -11.458 -3.772 1.00 0.00 O ATOM 0 H ASP A 29 -10.833 -8.217 -5.950 1.00 0.00 H new ATOM 0 HA ASP A 29 -13.545 -9.232 -5.777 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -11.236 -9.454 -4.238 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -12.224 -8.352 -3.300 1.00 0.00 H new ATOM 455 N LYS A 30 -14.777 -7.302 -4.630 1.00 0.00 N ATOM 456 CA LYS A 30 -15.584 -6.123 -4.348 1.00 0.00 C ATOM 457 C LYS A 30 -15.448 -5.726 -2.884 1.00 0.00 C ATOM 458 O LYS A 30 -15.598 -6.563 -1.993 1.00 0.00 O ATOM 459 CB LYS A 30 -17.051 -6.404 -4.680 1.00 0.00 C ATOM 460 CG LYS A 30 -17.279 -6.845 -6.120 1.00 0.00 C ATOM 461 CD LYS A 30 -17.035 -5.713 -7.107 1.00 0.00 C ATOM 462 CE LYS A 30 -18.324 -4.981 -7.465 1.00 0.00 C ATOM 463 NZ LYS A 30 -18.977 -4.341 -6.289 1.00 0.00 N ATOM 0 H LYS A 30 -15.253 -8.187 -4.458 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.229 -5.299 -4.967 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -17.425 -7.177 -4.009 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -17.637 -5.505 -4.488 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -16.617 -7.679 -6.353 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -18.301 -7.209 -6.231 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -16.323 -5.006 -6.680 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -16.582 -6.114 -8.014 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -18.106 -4.218 -8.212 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -19.020 -5.685 -7.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -19.654 -3.622 -6.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -19.480 -5.064 -5.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -18.254 -3.890 -5.693 1.00 0.00 H new ATOM 477 N VAL A 31 -15.169 -4.454 -2.627 1.00 0.00 N ATOM 478 CA VAL A 31 -14.979 -3.987 -1.260 1.00 0.00 C ATOM 479 C VAL A 31 -15.859 -2.780 -0.940 1.00 0.00 C ATOM 480 O VAL A 31 -16.231 -2.004 -1.826 1.00 0.00 O ATOM 481 CB VAL A 31 -13.502 -3.615 -0.979 1.00 0.00 C ATOM 482 CG1 VAL A 31 -12.599 -4.824 -1.137 1.00 0.00 C ATOM 483 CG2 VAL A 31 -13.036 -2.488 -1.887 1.00 0.00 C ATOM 0 H VAL A 31 -15.070 -3.733 -3.341 1.00 0.00 H new ATOM 0 HA VAL A 31 -15.269 -4.819 -0.618 1.00 0.00 H new ATOM 0 HB VAL A 31 -13.441 -3.269 0.053 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -11.567 -4.537 -0.934 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -12.904 -5.600 -0.435 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -12.676 -5.205 -2.155 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -11.996 -2.249 -1.666 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -13.124 -2.799 -2.928 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -13.654 -1.606 -1.719 1.00 0.00 H new ATOM 493 N TYR A 32 -16.221 -2.662 0.328 1.00 0.00 N ATOM 494 CA TYR A 32 -16.847 -1.458 0.850 1.00 0.00 C ATOM 495 C TYR A 32 -15.785 -0.573 1.474 1.00 0.00 C ATOM 496 O TYR A 32 -14.881 -1.070 2.137 1.00 0.00 O ATOM 497 CB TYR A 32 -17.894 -1.788 1.919 1.00 0.00 C ATOM 498 CG TYR A 32 -19.207 -2.312 1.388 1.00 0.00 C ATOM 499 CD1 TYR A 32 -19.965 -1.565 0.494 1.00 0.00 C ATOM 500 CD2 TYR A 32 -19.705 -3.537 1.808 1.00 0.00 C ATOM 501 CE1 TYR A 32 -21.184 -2.027 0.036 1.00 0.00 C ATOM 502 CE2 TYR A 32 -20.919 -4.009 1.347 1.00 0.00 C ATOM 503 CZ TYR A 32 -21.654 -3.250 0.463 1.00 0.00 C ATOM 504 OH TYR A 32 -22.873 -3.710 0.021 1.00 0.00 O ATOM 0 H TYR A 32 -16.089 -3.397 1.023 1.00 0.00 H new ATOM 0 HA TYR A 32 -17.341 -0.950 0.022 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -17.474 -2.528 2.601 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -18.089 -0.889 2.504 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -19.596 -0.609 0.152 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -19.135 -4.131 2.507 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -21.766 -1.433 -0.653 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -21.290 -4.968 1.678 1.00 0.00 H new ATOM 0 HH TYR A 32 -23.054 -4.588 0.417 1.00 0.00 H new ATOM 514 N ILE A 33 -15.894 0.724 1.274 1.00 0.00 N ATOM 515 CA ILE A 33 -14.956 1.664 1.857 1.00 0.00 C ATOM 516 C ILE A 33 -15.623 2.387 3.020 1.00 0.00 C ATOM 517 O ILE A 33 -16.584 3.135 2.830 1.00 0.00 O ATOM 518 CB ILE A 33 -14.466 2.695 0.820 1.00 0.00 C ATOM 519 CG1 ILE A 33 -13.959 1.990 -0.441 1.00 0.00 C ATOM 520 CG2 ILE A 33 -13.368 3.562 1.420 1.00 0.00 C ATOM 521 CD1 ILE A 33 -13.608 2.938 -1.567 1.00 0.00 C ATOM 0 H ILE A 33 -16.626 1.154 0.709 1.00 0.00 H new ATOM 0 HA ILE A 33 -14.089 1.104 2.208 1.00 0.00 H new ATOM 0 HB ILE A 33 -15.305 3.334 0.543 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -13.079 1.399 -0.187 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -14.722 1.293 -0.789 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -13.030 4.286 0.679 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -13.756 4.089 2.291 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -12.530 2.932 1.720 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -13.257 2.368 -2.427 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -14.491 3.511 -1.849 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -12.823 3.619 -1.238 1.00 0.00 H new ATOM 533 N LEU A 34 -15.134 2.136 4.223 1.00 0.00 N ATOM 534 CA LEU A 34 -15.725 2.705 5.420 1.00 0.00 C ATOM 535 C LEU A 34 -15.011 3.997 5.800 1.00 0.00 C ATOM 536 O LEU A 34 -15.507 5.095 5.548 1.00 0.00 O ATOM 537 CB LEU A 34 -15.658 1.707 6.588 1.00 0.00 C ATOM 538 CG LEU A 34 -16.389 0.368 6.395 1.00 0.00 C ATOM 539 CD1 LEU A 34 -17.809 0.585 5.898 1.00 0.00 C ATOM 540 CD2 LEU A 34 -15.623 -0.555 5.464 1.00 0.00 C ATOM 0 H LEU A 34 -14.325 1.539 4.396 1.00 0.00 H new ATOM 0 HA LEU A 34 -16.772 2.925 5.211 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -14.609 1.495 6.795 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -16.066 2.193 7.474 1.00 0.00 H new ATOM 0 HG LEU A 34 -16.444 -0.117 7.369 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -18.301 -0.379 5.771 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -18.361 1.181 6.624 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -17.784 1.109 4.942 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -16.169 -1.492 5.350 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -15.512 -0.079 4.490 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -14.637 -0.758 5.883 1.00 0.00 H new ATOM 552 N ASP A 35 -13.834 3.862 6.391 1.00 0.00 N ATOM 553 CA ASP A 35 -13.062 5.017 6.810 1.00 0.00 C ATOM 554 C ASP A 35 -11.939 5.288 5.820 1.00 0.00 C ATOM 555 O ASP A 35 -10.873 4.672 5.892 1.00 0.00 O ATOM 556 CB ASP A 35 -12.486 4.804 8.213 1.00 0.00 C ATOM 557 CG ASP A 35 -13.556 4.728 9.286 1.00 0.00 C ATOM 558 OD1 ASP A 35 -14.186 3.661 9.430 1.00 0.00 O ATOM 559 OD2 ASP A 35 -13.772 5.737 9.994 1.00 0.00 O ATOM 0 H ASP A 35 -13.394 2.964 6.590 1.00 0.00 H new ATOM 0 HA ASP A 35 -13.726 5.881 6.837 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -11.901 3.884 8.224 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.802 5.619 8.447 1.00 0.00 H new ATOM 564 N ASP A 36 -12.201 6.183 4.873 1.00 0.00 N ATOM 565 CA ASP A 36 -11.205 6.555 3.873 1.00 0.00 C ATOM 566 C ASP A 36 -10.637 7.943 4.163 1.00 0.00 C ATOM 567 O ASP A 36 -9.450 8.195 3.969 1.00 0.00 O ATOM 568 CB ASP A 36 -11.810 6.520 2.463 1.00 0.00 C ATOM 569 CG ASP A 36 -12.781 7.656 2.189 1.00 0.00 C ATOM 570 OD1 ASP A 36 -13.674 7.908 3.027 1.00 0.00 O ATOM 571 OD2 ASP A 36 -12.660 8.307 1.130 1.00 0.00 O ATOM 0 H ASP A 36 -13.095 6.665 4.777 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.394 5.829 3.923 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.004 6.557 1.730 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.326 5.570 2.322 1.00 0.00 H new ATOM 576 N LYS A 37 -11.484 8.839 4.650 1.00 0.00 N ATOM 577 CA LYS A 37 -11.063 10.203 4.954 1.00 0.00 C ATOM 578 C LYS A 37 -10.388 10.271 6.325 1.00 0.00 C ATOM 579 O LYS A 37 -10.011 11.343 6.795 1.00 0.00 O ATOM 580 CB LYS A 37 -12.262 11.155 4.903 1.00 0.00 C ATOM 581 CG LYS A 37 -13.300 10.890 5.980 1.00 0.00 C ATOM 582 CD LYS A 37 -14.492 11.820 5.851 1.00 0.00 C ATOM 583 CE LYS A 37 -15.399 11.730 7.067 1.00 0.00 C ATOM 584 NZ LYS A 37 -14.762 12.311 8.280 1.00 0.00 N ATOM 0 H LYS A 37 -12.467 8.648 4.844 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.338 10.512 4.201 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.905 12.180 5.000 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.737 11.074 3.925 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -13.637 9.855 5.914 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.845 11.015 6.963 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -14.144 12.846 5.730 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -15.057 11.567 4.954 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -16.333 12.253 6.862 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -15.652 10.686 7.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.485 12.464 9.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.038 11.656 8.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.317 13.219 8.037 1.00 0.00 H new ATOM 598 N LYS A 38 -10.246 9.120 6.963 1.00 0.00 N ATOM 599 CA LYS A 38 -9.615 9.036 8.263 1.00 0.00 C ATOM 600 C LYS A 38 -8.099 9.109 8.145 1.00 0.00 C ATOM 601 O LYS A 38 -7.450 9.886 8.844 1.00 0.00 O ATOM 602 CB LYS A 38 -10.024 7.735 8.936 1.00 0.00 C ATOM 603 CG LYS A 38 -11.424 7.757 9.522 1.00 0.00 C ATOM 604 CD LYS A 38 -11.538 8.748 10.665 1.00 0.00 C ATOM 605 CE LYS A 38 -12.810 8.530 11.468 1.00 0.00 C ATOM 606 NZ LYS A 38 -12.875 7.154 12.031 1.00 0.00 N ATOM 0 H LYS A 38 -10.564 8.224 6.593 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.944 9.883 8.865 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.958 6.925 8.209 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.312 7.509 9.730 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.141 8.016 8.743 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.686 6.760 9.877 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.672 8.651 11.320 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.526 9.764 10.270 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.858 9.258 12.278 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.677 8.704 10.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.227 7.195 13.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.518 6.574 11.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.925 6.730 12.023 1.00 0.00 H new ATOM 620 N SER A 39 -7.544 8.315 7.247 1.00 0.00 N ATOM 621 CA SER A 39 -6.105 8.255 7.078 1.00 0.00 C ATOM 622 C SER A 39 -5.721 8.523 5.626 1.00 0.00 C ATOM 623 O SER A 39 -6.581 8.589 4.748 1.00 0.00 O ATOM 624 CB SER A 39 -5.586 6.889 7.531 1.00 0.00 C ATOM 625 OG SER A 39 -5.892 6.655 8.898 1.00 0.00 O ATOM 0 H SER A 39 -8.069 7.702 6.623 1.00 0.00 H new ATOM 0 HA SER A 39 -5.646 9.028 7.694 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.029 6.106 6.916 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.507 6.838 7.382 1.00 0.00 H new ATOM 0 HG SER A 39 -5.552 5.775 9.163 1.00 0.00 H new ATOM 631 N LYS A 40 -4.429 8.671 5.385 1.00 0.00 N ATOM 632 CA LYS A 40 -3.911 8.972 4.057 1.00 0.00 C ATOM 633 C LYS A 40 -3.140 7.768 3.546 1.00 0.00 C ATOM 634 O LYS A 40 -2.394 7.844 2.568 1.00 0.00 O ATOM 635 CB LYS A 40 -2.978 10.184 4.136 1.00 0.00 C ATOM 636 CG LYS A 40 -3.631 11.422 4.732 1.00 0.00 C ATOM 637 CD LYS A 40 -2.595 12.382 5.302 1.00 0.00 C ATOM 638 CE LYS A 40 -1.579 12.810 4.254 1.00 0.00 C ATOM 639 NZ LYS A 40 -0.529 13.691 4.831 1.00 0.00 N ATOM 0 H LYS A 40 -3.709 8.586 6.102 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.735 9.197 3.379 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.105 9.921 4.734 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.619 10.420 3.134 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.216 11.930 3.966 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -4.325 11.125 5.519 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.098 13.263 5.701 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.078 11.905 6.135 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.113 11.927 3.817 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.089 13.334 3.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.145 13.962 4.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.971 14.546 5.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.025 13.182 5.585 1.00 0.00 H new ATOM 653 N ASP A 41 -3.361 6.650 4.213 1.00 0.00 N ATOM 654 CA ASP A 41 -2.504 5.488 4.088 1.00 0.00 C ATOM 655 C ASP A 41 -3.312 4.194 4.081 1.00 0.00 C ATOM 656 O ASP A 41 -3.436 3.535 3.044 1.00 0.00 O ATOM 657 CB ASP A 41 -1.501 5.492 5.250 1.00 0.00 C ATOM 658 CG ASP A 41 -2.151 5.892 6.567 1.00 0.00 C ATOM 659 OD1 ASP A 41 -2.361 7.107 6.787 1.00 0.00 O ATOM 660 OD2 ASP A 41 -2.489 4.997 7.367 1.00 0.00 O ATOM 0 H ASP A 41 -4.141 6.523 4.857 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.974 5.538 3.137 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.060 4.500 5.351 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.688 6.181 5.024 1.00 0.00 H new ATOM 665 N TRP A 42 -3.857 3.839 5.236 1.00 0.00 N ATOM 666 CA TRP A 42 -4.643 2.627 5.379 1.00 0.00 C ATOM 667 C TRP A 42 -6.114 2.971 5.556 1.00 0.00 C ATOM 668 O TRP A 42 -6.482 3.739 6.445 1.00 0.00 O ATOM 669 CB TRP A 42 -4.149 1.802 6.575 1.00 0.00 C ATOM 670 CG TRP A 42 -2.751 1.286 6.413 1.00 0.00 C ATOM 671 CD1 TRP A 42 -1.599 2.011 6.477 1.00 0.00 C ATOM 672 CD2 TRP A 42 -2.361 -0.069 6.172 1.00 0.00 C ATOM 673 NE1 TRP A 42 -0.515 1.192 6.281 1.00 0.00 N ATOM 674 CE2 TRP A 42 -0.956 -0.089 6.092 1.00 0.00 C ATOM 675 CE3 TRP A 42 -3.062 -1.266 6.010 1.00 0.00 C ATOM 676 CZ2 TRP A 42 -0.241 -1.261 5.862 1.00 0.00 C ATOM 677 CZ3 TRP A 42 -2.352 -2.426 5.783 1.00 0.00 C ATOM 678 CH2 TRP A 42 -0.954 -2.417 5.709 1.00 0.00 C ATOM 0 H TRP A 42 -3.766 4.382 6.095 1.00 0.00 H new ATOM 0 HA TRP A 42 -4.525 2.032 4.473 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -4.199 2.416 7.474 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -4.823 0.959 6.727 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.546 3.075 6.656 1.00 0.00 H new ATOM 0 HE1 TRP A 42 0.460 1.490 6.277 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -4.141 -1.283 6.062 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 0.838 -1.257 5.806 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -2.884 -3.358 5.660 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -0.428 -3.343 5.527 1.00 0.00 H new ATOM 689 N TRP A 43 -6.946 2.413 4.699 1.00 0.00 N ATOM 690 CA TRP A 43 -8.377 2.644 4.772 1.00 0.00 C ATOM 691 C TRP A 43 -9.076 1.424 5.339 1.00 0.00 C ATOM 692 O TRP A 43 -8.601 0.297 5.179 1.00 0.00 O ATOM 693 CB TRP A 43 -8.945 2.972 3.390 1.00 0.00 C ATOM 694 CG TRP A 43 -8.487 4.293 2.849 1.00 0.00 C ATOM 695 CD1 TRP A 43 -7.838 5.280 3.532 1.00 0.00 C ATOM 696 CD2 TRP A 43 -8.661 4.777 1.512 1.00 0.00 C ATOM 697 NE1 TRP A 43 -7.590 6.344 2.703 1.00 0.00 N ATOM 698 CE2 TRP A 43 -8.089 6.062 1.458 1.00 0.00 C ATOM 699 CE3 TRP A 43 -9.241 4.246 0.354 1.00 0.00 C ATOM 700 CZ2 TRP A 43 -8.085 6.825 0.292 1.00 0.00 C ATOM 701 CZ3 TRP A 43 -9.236 5.006 -0.800 1.00 0.00 C ATOM 702 CH2 TRP A 43 -8.661 6.282 -0.824 1.00 0.00 C ATOM 0 H TRP A 43 -6.656 1.795 3.942 1.00 0.00 H new ATOM 0 HA TRP A 43 -8.551 3.495 5.430 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -8.658 2.185 2.693 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -10.034 2.969 3.444 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.560 5.230 4.574 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -7.112 7.205 2.970 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -9.684 3.261 0.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -7.643 7.810 0.270 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -9.683 4.609 -1.699 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -8.672 6.850 -1.743 1.00 0.00 H new ATOM 713 N MET A 44 -10.194 1.646 6.014 1.00 0.00 N ATOM 714 CA MET A 44 -10.981 0.541 6.537 1.00 0.00 C ATOM 715 C MET A 44 -11.947 0.080 5.469 1.00 0.00 C ATOM 716 O MET A 44 -12.776 0.860 5.000 1.00 0.00 O ATOM 717 CB MET A 44 -11.762 0.941 7.794 1.00 0.00 C ATOM 718 CG MET A 44 -10.923 1.664 8.833 1.00 0.00 C ATOM 719 SD MET A 44 -11.746 1.804 10.433 1.00 0.00 S ATOM 720 CE MET A 44 -12.012 0.078 10.832 1.00 0.00 C ATOM 0 H MET A 44 -10.573 2.572 6.211 1.00 0.00 H new ATOM 0 HA MET A 44 -10.299 -0.263 6.813 1.00 0.00 H new ATOM 0 HB2 MET A 44 -12.595 1.581 7.504 1.00 0.00 H new ATOM 0 HB3 MET A 44 -12.190 0.046 8.245 1.00 0.00 H new ATOM 0 HG2 MET A 44 -9.979 1.135 8.962 1.00 0.00 H new ATOM 0 HG3 MET A 44 -10.682 2.662 8.466 1.00 0.00 H new ATOM 0 HE1 MET A 44 -11.823 -0.083 11.893 1.00 0.00 H new ATOM 0 HE2 MET A 44 -13.042 -0.194 10.602 1.00 0.00 H new ATOM 0 HE3 MET A 44 -11.333 -0.540 10.244 1.00 0.00 H new ATOM 730 N CYS A 45 -11.834 -1.170 5.066 1.00 0.00 N ATOM 731 CA CYS A 45 -12.711 -1.698 4.044 1.00 0.00 C ATOM 732 C CYS A 45 -13.278 -3.043 4.463 1.00 0.00 C ATOM 733 O CYS A 45 -12.764 -3.686 5.379 1.00 0.00 O ATOM 734 CB CYS A 45 -11.967 -1.839 2.716 1.00 0.00 C ATOM 735 SG CYS A 45 -10.652 -3.077 2.741 1.00 0.00 S ATOM 0 H CYS A 45 -11.149 -1.833 5.428 1.00 0.00 H new ATOM 0 HA CYS A 45 -13.535 -0.996 3.914 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -12.682 -2.099 1.936 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.539 -0.874 2.447 1.00 0.00 H new ATOM 0 HG CYS A 45 -10.224 -3.280 1.530 1.00 0.00 H new ATOM 741 N GLN A 46 -14.345 -3.446 3.802 1.00 0.00 N ATOM 742 CA GLN A 46 -14.956 -4.735 4.049 1.00 0.00 C ATOM 743 C GLN A 46 -15.234 -5.436 2.729 1.00 0.00 C ATOM 744 O GLN A 46 -15.850 -4.858 1.834 1.00 0.00 O ATOM 745 CB GLN A 46 -16.255 -4.572 4.846 1.00 0.00 C ATOM 746 CG GLN A 46 -16.990 -5.883 5.072 1.00 0.00 C ATOM 747 CD GLN A 46 -18.319 -5.718 5.784 1.00 0.00 C ATOM 748 OE1 GLN A 46 -19.253 -6.484 5.550 1.00 0.00 O ATOM 749 NE2 GLN A 46 -18.416 -4.733 6.664 1.00 0.00 N ATOM 0 H GLN A 46 -14.810 -2.892 3.083 1.00 0.00 H new ATOM 0 HA GLN A 46 -14.267 -5.342 4.637 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -16.027 -4.120 5.811 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -16.913 -3.881 4.318 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -17.160 -6.365 4.109 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -16.355 -6.550 5.655 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -17.620 -4.118 6.831 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -19.287 -4.589 7.175 1.00 0.00 H new ATOM 758 N LEU A 47 -14.758 -6.665 2.603 1.00 0.00 N ATOM 759 CA LEU A 47 -15.014 -7.468 1.416 1.00 0.00 C ATOM 760 C LEU A 47 -16.514 -7.724 1.295 1.00 0.00 C ATOM 761 O LEU A 47 -17.112 -8.341 2.174 1.00 0.00 O ATOM 762 CB LEU A 47 -14.257 -8.796 1.499 1.00 0.00 C ATOM 763 CG LEU A 47 -12.741 -8.693 1.674 1.00 0.00 C ATOM 764 CD1 LEU A 47 -12.139 -10.073 1.885 1.00 0.00 C ATOM 765 CD2 LEU A 47 -12.102 -8.014 0.474 1.00 0.00 C ATOM 0 H LEU A 47 -14.190 -7.130 3.311 1.00 0.00 H new ATOM 0 HA LEU A 47 -14.666 -6.929 0.535 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -14.661 -9.370 2.333 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -14.460 -9.365 0.592 1.00 0.00 H new ATOM 0 HG LEU A 47 -12.540 -8.084 2.556 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -11.060 -9.984 2.008 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -12.570 -10.525 2.778 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -12.355 -10.700 1.020 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -11.024 -7.953 0.622 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -12.312 -8.592 -0.426 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -12.511 -7.010 0.364 1.00 0.00 H new ATOM 777 N VAL A 48 -17.110 -7.250 0.212 1.00 0.00 N ATOM 778 CA VAL A 48 -18.565 -7.271 0.056 1.00 0.00 C ATOM 779 C VAL A 48 -19.124 -8.693 0.085 1.00 0.00 C ATOM 780 O VAL A 48 -20.131 -8.961 0.745 1.00 0.00 O ATOM 781 CB VAL A 48 -18.999 -6.582 -1.259 1.00 0.00 C ATOM 782 CG1 VAL A 48 -20.505 -6.670 -1.455 1.00 0.00 C ATOM 783 CG2 VAL A 48 -18.547 -5.131 -1.279 1.00 0.00 C ATOM 0 H VAL A 48 -16.610 -6.843 -0.578 1.00 0.00 H new ATOM 0 HA VAL A 48 -18.972 -6.720 0.904 1.00 0.00 H new ATOM 0 HB VAL A 48 -18.519 -7.108 -2.084 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -20.780 -6.177 -2.387 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -20.806 -7.717 -1.495 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -21.010 -6.179 -0.623 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -18.862 -4.665 -2.212 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -18.993 -4.599 -0.439 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -17.461 -5.087 -1.200 1.00 0.00 H new ATOM 793 N ASP A 49 -18.454 -9.606 -0.599 1.00 0.00 N ATOM 794 CA ASP A 49 -18.985 -10.950 -0.799 1.00 0.00 C ATOM 795 C ASP A 49 -18.741 -11.863 0.399 1.00 0.00 C ATOM 796 O ASP A 49 -19.319 -12.946 0.479 1.00 0.00 O ATOM 797 CB ASP A 49 -18.392 -11.578 -2.061 1.00 0.00 C ATOM 798 CG ASP A 49 -18.875 -10.899 -3.327 1.00 0.00 C ATOM 799 OD1 ASP A 49 -18.294 -9.867 -3.717 1.00 0.00 O ATOM 800 OD2 ASP A 49 -19.836 -11.399 -3.949 1.00 0.00 O ATOM 0 H ASP A 49 -17.542 -9.444 -1.026 1.00 0.00 H new ATOM 0 HA ASP A 49 -20.064 -10.846 -0.914 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -17.304 -11.522 -2.014 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -18.656 -12.635 -2.096 1.00 0.00 H new ATOM 805 N SER A 50 -17.904 -11.440 1.333 1.00 0.00 N ATOM 806 CA SER A 50 -17.589 -12.278 2.485 1.00 0.00 C ATOM 807 C SER A 50 -17.979 -11.606 3.802 1.00 0.00 C ATOM 808 O SER A 50 -18.462 -12.261 4.725 1.00 0.00 O ATOM 809 CB SER A 50 -16.102 -12.629 2.481 1.00 0.00 C ATOM 810 OG SER A 50 -15.311 -11.465 2.317 1.00 0.00 O ATOM 0 H SER A 50 -17.435 -10.534 1.320 1.00 0.00 H new ATOM 0 HA SER A 50 -18.175 -13.193 2.404 1.00 0.00 H new ATOM 0 HB2 SER A 50 -15.838 -13.125 3.415 1.00 0.00 H new ATOM 0 HB3 SER A 50 -15.892 -13.333 1.676 1.00 0.00 H new ATOM 0 HG SER A 50 -14.379 -11.723 2.159 1.00 0.00 H new ATOM 816 N GLY A 51 -17.778 -10.297 3.886 1.00 0.00 N ATOM 817 CA GLY A 51 -18.091 -9.575 5.105 1.00 0.00 C ATOM 818 C GLY A 51 -16.865 -9.353 5.966 1.00 0.00 C ATOM 819 O GLY A 51 -16.963 -8.855 7.090 1.00 0.00 O ATOM 0 H GLY A 51 -17.404 -9.722 3.131 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -18.535 -8.612 4.852 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -18.837 -10.130 5.673 1.00 0.00 H new ATOM 823 N LYS A 52 -15.706 -9.719 5.435 1.00 0.00 N ATOM 824 CA LYS A 52 -14.452 -9.579 6.167 1.00 0.00 C ATOM 825 C LYS A 52 -13.891 -8.172 6.007 1.00 0.00 C ATOM 826 O LYS A 52 -13.697 -7.694 4.889 1.00 0.00 O ATOM 827 CB LYS A 52 -13.441 -10.620 5.686 1.00 0.00 C ATOM 828 CG LYS A 52 -13.884 -12.047 5.959 1.00 0.00 C ATOM 829 CD LYS A 52 -12.825 -13.060 5.558 1.00 0.00 C ATOM 830 CE LYS A 52 -12.638 -13.121 4.052 1.00 0.00 C ATOM 831 NZ LYS A 52 -11.702 -14.206 3.662 1.00 0.00 N ATOM 0 H LYS A 52 -15.607 -10.115 4.500 1.00 0.00 H new ATOM 0 HA LYS A 52 -14.647 -9.748 7.226 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -13.279 -10.494 4.615 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -12.484 -10.442 6.176 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -14.110 -12.160 7.019 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -14.805 -12.251 5.413 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -11.878 -12.801 6.031 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -13.107 -14.045 5.929 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -13.603 -13.281 3.571 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.258 -12.165 3.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.597 -14.219 2.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.774 -14.039 4.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.078 -15.121 3.984 1.00 0.00 H new ATOM 845 N SER A 53 -13.642 -7.511 7.127 1.00 0.00 N ATOM 846 CA SER A 53 -13.188 -6.129 7.117 1.00 0.00 C ATOM 847 C SER A 53 -11.773 -5.999 7.676 1.00 0.00 C ATOM 848 O SER A 53 -11.309 -6.862 8.424 1.00 0.00 O ATOM 849 CB SER A 53 -14.163 -5.267 7.924 1.00 0.00 C ATOM 850 OG SER A 53 -14.536 -5.908 9.137 1.00 0.00 O ATOM 0 H SER A 53 -13.747 -7.912 8.059 1.00 0.00 H new ATOM 0 HA SER A 53 -13.163 -5.782 6.084 1.00 0.00 H new ATOM 0 HB2 SER A 53 -13.703 -4.304 8.145 1.00 0.00 H new ATOM 0 HB3 SER A 53 -15.053 -5.066 7.328 1.00 0.00 H new ATOM 0 HG SER A 53 -15.157 -5.334 9.632 1.00 0.00 H new ATOM 856 N GLY A 54 -11.095 -4.920 7.305 1.00 0.00 N ATOM 857 CA GLY A 54 -9.756 -4.667 7.804 1.00 0.00 C ATOM 858 C GLY A 54 -9.119 -3.461 7.141 1.00 0.00 C ATOM 859 O GLY A 54 -9.748 -2.802 6.308 1.00 0.00 O ATOM 0 H GLY A 54 -11.451 -4.211 6.663 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.795 -4.509 8.882 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.134 -5.545 7.633 1.00 0.00 H new ATOM 863 N LEU A 55 -7.880 -3.164 7.517 1.00 0.00 N ATOM 864 CA LEU A 55 -7.147 -2.038 6.948 1.00 0.00 C ATOM 865 C LEU A 55 -6.379 -2.460 5.704 1.00 0.00 C ATOM 866 O LEU A 55 -5.728 -3.508 5.691 1.00 0.00 O ATOM 867 CB LEU A 55 -6.176 -1.466 7.982 1.00 0.00 C ATOM 868 CG LEU A 55 -6.830 -0.755 9.166 1.00 0.00 C ATOM 869 CD1 LEU A 55 -5.795 -0.432 10.228 1.00 0.00 C ATOM 870 CD2 LEU A 55 -7.520 0.519 8.706 1.00 0.00 C ATOM 0 H LEU A 55 -7.359 -3.691 8.218 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.870 -1.272 6.666 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.557 -2.278 8.363 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.509 -0.765 7.481 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.577 -1.422 9.596 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.277 0.074 11.064 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.334 -1.355 10.580 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.029 0.217 9.804 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.980 1.013 9.562 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.787 1.187 8.253 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.288 0.272 7.973 1.00 0.00 H new ATOM 882 N VAL A 56 -6.463 -1.644 4.660 1.00 0.00 N ATOM 883 CA VAL A 56 -5.758 -1.911 3.412 1.00 0.00 C ATOM 884 C VAL A 56 -5.111 -0.640 2.869 1.00 0.00 C ATOM 885 O VAL A 56 -5.521 0.469 3.218 1.00 0.00 O ATOM 886 CB VAL A 56 -6.700 -2.486 2.334 1.00 0.00 C ATOM 887 CG1 VAL A 56 -7.303 -3.801 2.793 1.00 0.00 C ATOM 888 CG2 VAL A 56 -7.790 -1.486 1.978 1.00 0.00 C ATOM 0 H VAL A 56 -7.016 -0.787 4.654 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.989 -2.649 3.640 1.00 0.00 H new ATOM 0 HB VAL A 56 -6.112 -2.677 1.437 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.964 -4.189 2.018 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -6.506 -4.520 2.983 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.873 -3.640 3.708 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.442 -1.914 1.216 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -8.376 -1.254 2.868 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -7.335 -0.573 1.595 1.00 0.00 H new ATOM 898 N PRO A 57 -4.087 -0.785 2.013 1.00 0.00 N ATOM 899 CA PRO A 57 -3.424 0.353 1.370 1.00 0.00 C ATOM 900 C PRO A 57 -4.367 1.123 0.448 1.00 0.00 C ATOM 901 O PRO A 57 -4.998 0.542 -0.436 1.00 0.00 O ATOM 902 CB PRO A 57 -2.294 -0.290 0.556 1.00 0.00 C ATOM 903 CG PRO A 57 -2.125 -1.654 1.132 1.00 0.00 C ATOM 904 CD PRO A 57 -3.485 -2.065 1.613 1.00 0.00 C ATOM 0 HA PRO A 57 -3.073 1.081 2.102 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.550 -0.338 -0.503 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.373 0.288 0.636 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.748 -2.351 0.383 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.406 -1.646 1.951 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.061 -2.556 0.828 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.425 -2.763 2.448 1.00 0.00 H new ATOM 912 N ALA A 58 -4.444 2.431 0.661 1.00 0.00 N ATOM 913 CA ALA A 58 -5.319 3.308 -0.114 1.00 0.00 C ATOM 914 C ALA A 58 -5.060 3.210 -1.616 1.00 0.00 C ATOM 915 O ALA A 58 -5.982 3.315 -2.421 1.00 0.00 O ATOM 916 CB ALA A 58 -5.139 4.745 0.344 1.00 0.00 C ATOM 0 H ALA A 58 -3.902 2.916 1.376 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.344 2.982 0.061 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.793 5.396 -0.236 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.393 4.824 1.401 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.102 5.047 0.196 1.00 0.00 H new ATOM 922 N GLN A 59 -3.805 2.979 -1.981 1.00 0.00 N ATOM 923 CA GLN A 59 -3.396 2.968 -3.384 1.00 0.00 C ATOM 924 C GLN A 59 -3.878 1.715 -4.113 1.00 0.00 C ATOM 925 O GLN A 59 -3.608 1.542 -5.299 1.00 0.00 O ATOM 926 CB GLN A 59 -1.871 3.058 -3.491 1.00 0.00 C ATOM 927 CG GLN A 59 -1.296 4.393 -3.043 1.00 0.00 C ATOM 928 CD GLN A 59 0.222 4.407 -3.053 1.00 0.00 C ATOM 929 OE1 GLN A 59 0.848 4.719 -4.064 1.00 0.00 O ATOM 930 NE2 GLN A 59 0.825 4.069 -1.924 1.00 0.00 N ATOM 0 H GLN A 59 -3.048 2.796 -1.323 1.00 0.00 H new ATOM 0 HA GLN A 59 -3.856 3.835 -3.859 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.428 2.264 -2.891 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -1.579 2.877 -4.525 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -1.667 5.182 -3.697 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -1.651 4.618 -2.037 1.00 0.00 H new ATOM 0 HE21 GLN A 59 0.271 3.816 -1.106 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.844 4.061 -1.872 1.00 0.00 H new ATOM 939 N PHE A 60 -4.583 0.840 -3.408 1.00 0.00 N ATOM 940 CA PHE A 60 -5.002 -0.432 -3.986 1.00 0.00 C ATOM 941 C PHE A 60 -6.499 -0.448 -4.270 1.00 0.00 C ATOM 942 O PHE A 60 -7.011 -1.382 -4.896 1.00 0.00 O ATOM 943 CB PHE A 60 -4.639 -1.591 -3.050 1.00 0.00 C ATOM 944 CG PHE A 60 -3.170 -1.918 -3.000 1.00 0.00 C ATOM 945 CD1 PHE A 60 -2.224 -1.059 -3.539 1.00 0.00 C ATOM 946 CD2 PHE A 60 -2.736 -3.094 -2.412 1.00 0.00 C ATOM 947 CE1 PHE A 60 -0.881 -1.366 -3.493 1.00 0.00 C ATOM 948 CE2 PHE A 60 -1.393 -3.407 -2.363 1.00 0.00 C ATOM 949 CZ PHE A 60 -0.465 -2.542 -2.905 1.00 0.00 C ATOM 0 H PHE A 60 -4.876 0.985 -2.442 1.00 0.00 H new ATOM 0 HA PHE A 60 -4.474 -0.554 -4.932 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -4.978 -1.348 -2.043 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -5.186 -2.480 -3.365 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -2.544 -0.137 -4.001 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -3.458 -3.775 -1.986 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -0.156 -0.687 -3.917 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -1.069 -4.328 -1.901 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.587 -2.786 -2.869 1.00 0.00 H new ATOM 959 N ILE A 61 -7.197 0.584 -3.820 1.00 0.00 N ATOM 960 CA ILE A 61 -8.648 0.623 -3.932 1.00 0.00 C ATOM 961 C ILE A 61 -9.104 1.667 -4.944 1.00 0.00 C ATOM 962 O ILE A 61 -8.715 2.834 -4.870 1.00 0.00 O ATOM 963 CB ILE A 61 -9.312 0.929 -2.570 1.00 0.00 C ATOM 964 CG1 ILE A 61 -8.899 -0.107 -1.518 1.00 0.00 C ATOM 965 CG2 ILE A 61 -10.828 0.970 -2.711 1.00 0.00 C ATOM 966 CD1 ILE A 61 -9.293 -1.527 -1.865 1.00 0.00 C ATOM 0 H ILE A 61 -6.784 1.404 -3.375 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.957 -0.366 -4.271 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.969 1.909 -2.237 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.818 -0.063 -1.384 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -9.350 0.161 -0.562 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -11.278 1.187 -1.742 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -11.106 1.748 -3.422 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -11.186 0.005 -3.070 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.966 -2.199 -1.072 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -10.376 -1.589 -1.969 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -8.821 -1.816 -2.804 1.00 0.00 H new ATOM 978 N GLU A 62 -9.923 1.232 -5.891 1.00 0.00 N ATOM 979 CA GLU A 62 -10.574 2.137 -6.826 1.00 0.00 C ATOM 980 C GLU A 62 -12.040 2.302 -6.447 1.00 0.00 C ATOM 981 O GLU A 62 -12.843 1.387 -6.640 1.00 0.00 O ATOM 982 CB GLU A 62 -10.457 1.611 -8.257 1.00 0.00 C ATOM 983 CG GLU A 62 -9.071 1.773 -8.852 1.00 0.00 C ATOM 984 CD GLU A 62 -8.739 3.215 -9.174 1.00 0.00 C ATOM 985 OE1 GLU A 62 -9.120 3.685 -10.264 1.00 0.00 O ATOM 986 OE2 GLU A 62 -8.092 3.883 -8.345 1.00 0.00 O ATOM 0 H GLU A 62 -10.154 0.248 -6.032 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.078 3.106 -6.776 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.728 0.555 -8.270 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.177 2.133 -8.887 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.332 1.381 -8.153 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.998 1.176 -9.761 1.00 0.00 H new ATOM 993 N PRO A 63 -12.401 3.458 -5.877 1.00 0.00 N ATOM 994 CA PRO A 63 -13.772 3.731 -5.449 1.00 0.00 C ATOM 995 C PRO A 63 -14.706 3.945 -6.634 1.00 0.00 C ATOM 996 O PRO A 63 -14.413 4.731 -7.534 1.00 0.00 O ATOM 997 CB PRO A 63 -13.645 5.016 -4.630 1.00 0.00 C ATOM 998 CG PRO A 63 -12.425 5.690 -5.158 1.00 0.00 C ATOM 999 CD PRO A 63 -11.500 4.594 -5.610 1.00 0.00 C ATOM 0 HA PRO A 63 -14.199 2.899 -4.889 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -14.526 5.647 -4.746 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -13.547 4.798 -3.566 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -12.675 6.354 -5.986 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -11.955 6.303 -4.388 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -10.945 4.882 -6.503 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -10.765 4.350 -4.843 1.00 0.00 H new ATOM 1007 N VAL A 64 -15.832 3.254 -6.633 1.00 0.00 N ATOM 1008 CA VAL A 64 -16.751 3.329 -7.751 1.00 0.00 C ATOM 1009 C VAL A 64 -17.640 4.563 -7.643 1.00 0.00 C ATOM 1010 O VAL A 64 -18.344 4.769 -6.651 1.00 0.00 O ATOM 1011 CB VAL A 64 -17.615 2.054 -7.891 1.00 0.00 C ATOM 1012 CG1 VAL A 64 -16.729 0.844 -8.144 1.00 0.00 C ATOM 1013 CG2 VAL A 64 -18.482 1.823 -6.663 1.00 0.00 C ATOM 0 H VAL A 64 -16.129 2.639 -5.875 1.00 0.00 H new ATOM 0 HA VAL A 64 -16.143 3.409 -8.652 1.00 0.00 H new ATOM 0 HB VAL A 64 -18.280 2.197 -8.743 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -17.349 -0.047 -8.241 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -16.163 0.994 -9.063 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -16.039 0.717 -7.310 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -19.074 0.918 -6.800 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -17.846 1.711 -5.785 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -19.148 2.674 -6.523 1.00 0.00 H new ATOM 1152 N MET B 1 21.711 0.457 -8.474 1.00 0.00 N ATOM 1153 CA MET B 1 20.523 0.658 -9.334 1.00 0.00 C ATOM 1154 C MET B 1 19.615 1.711 -8.746 1.00 0.00 C ATOM 1155 O MET B 1 19.916 2.311 -7.713 1.00 0.00 O ATOM 1156 CB MET B 1 19.740 -0.643 -9.516 1.00 0.00 C ATOM 1157 CG MET B 1 19.283 -1.281 -8.219 1.00 0.00 C ATOM 1158 SD MET B 1 18.519 -2.894 -8.470 1.00 0.00 S ATOM 1159 CE MET B 1 17.821 -3.204 -6.854 1.00 0.00 C ATOM 0 H1 MET B 1 21.917 -0.560 -8.399 1.00 0.00 H new ATOM 0 H2 MET B 1 22.528 0.946 -8.891 1.00 0.00 H new ATOM 0 H3 MET B 1 21.523 0.843 -7.527 1.00 0.00 H new ATOM 0 HA MET B 1 20.879 0.989 -10.309 1.00 0.00 H new ATOM 0 HB2 MET B 1 18.867 -0.444 -10.137 1.00 0.00 H new ATOM 0 HB3 MET B 1 20.362 -1.355 -10.059 1.00 0.00 H new ATOM 0 HG2 MET B 1 20.137 -1.388 -7.551 1.00 0.00 H new ATOM 0 HG3 MET B 1 18.572 -0.620 -7.724 1.00 0.00 H new ATOM 0 HE1 MET B 1 17.569 -4.261 -6.763 1.00 0.00 H new ATOM 0 HE2 MET B 1 18.547 -2.936 -6.087 1.00 0.00 H new ATOM 0 HE3 MET B 1 16.920 -2.604 -6.726 1.00 0.00 H new ATOM 1171 N GLN B 2 18.493 1.912 -9.398 1.00 0.00 N ATOM 1172 CA GLN B 2 17.526 2.907 -8.961 1.00 0.00 C ATOM 1173 C GLN B 2 16.169 2.263 -8.733 1.00 0.00 C ATOM 1174 O GLN B 2 15.808 1.294 -9.399 1.00 0.00 O ATOM 1175 CB GLN B 2 17.384 4.016 -10.007 1.00 0.00 C ATOM 1176 CG GLN B 2 18.705 4.526 -10.555 1.00 0.00 C ATOM 1177 CD GLN B 2 18.520 5.619 -11.586 1.00 0.00 C ATOM 1178 OE1 GLN B 2 18.549 6.808 -11.264 1.00 0.00 O ATOM 1179 NE2 GLN B 2 18.285 5.224 -12.827 1.00 0.00 N ATOM 0 H GLN B 2 18.222 1.400 -10.237 1.00 0.00 H new ATOM 0 HA GLN B 2 17.886 3.337 -8.026 1.00 0.00 H new ATOM 0 HB2 GLN B 2 16.779 3.645 -10.834 1.00 0.00 H new ATOM 0 HB3 GLN B 2 16.840 4.851 -9.564 1.00 0.00 H new ATOM 0 HG2 GLN B 2 19.314 4.904 -9.734 1.00 0.00 H new ATOM 0 HG3 GLN B 2 19.253 3.697 -11.003 1.00 0.00 H new ATOM 0 HE21 GLN B 2 18.270 4.229 -13.051 1.00 0.00 H new ATOM 0 HE22 GLN B 2 18.119 5.914 -13.559 1.00 0.00 H new ATOM 1188 N ILE B 3 15.430 2.787 -7.772 1.00 0.00 N ATOM 1189 CA ILE B 3 14.048 2.389 -7.577 1.00 0.00 C ATOM 1190 C ILE B 3 13.179 3.624 -7.424 1.00 0.00 C ATOM 1191 O ILE B 3 13.556 4.578 -6.742 1.00 0.00 O ATOM 1192 CB ILE B 3 13.846 1.462 -6.355 1.00 0.00 C ATOM 1193 CG1 ILE B 3 14.393 2.107 -5.077 1.00 0.00 C ATOM 1194 CG2 ILE B 3 14.495 0.106 -6.600 1.00 0.00 C ATOM 1195 CD1 ILE B 3 14.111 1.303 -3.825 1.00 0.00 C ATOM 0 H ILE B 3 15.765 3.490 -7.113 1.00 0.00 H new ATOM 0 HA ILE B 3 13.757 1.819 -8.459 1.00 0.00 H new ATOM 0 HB ILE B 3 12.775 1.310 -6.218 1.00 0.00 H new ATOM 0 HG12 ILE B 3 15.470 2.240 -5.179 1.00 0.00 H new ATOM 0 HG13 ILE B 3 13.959 3.101 -4.967 1.00 0.00 H new ATOM 0 HG21 ILE B 3 14.343 -0.533 -5.730 1.00 0.00 H new ATOM 0 HG22 ILE B 3 14.044 -0.360 -7.476 1.00 0.00 H new ATOM 0 HG23 ILE B 3 15.563 0.239 -6.770 1.00 0.00 H new ATOM 0 HD11 ILE B 3 14.527 1.819 -2.960 1.00 0.00 H new ATOM 0 HD12 ILE B 3 13.034 1.192 -3.699 1.00 0.00 H new ATOM 0 HD13 ILE B 3 14.569 0.318 -3.914 1.00 0.00 H new ATOM 1207 N PHE B 4 12.032 3.617 -8.073 1.00 0.00 N ATOM 1208 CA PHE B 4 11.125 4.745 -8.003 1.00 0.00 C ATOM 1209 C PHE B 4 10.160 4.550 -6.848 1.00 0.00 C ATOM 1210 O PHE B 4 9.158 3.848 -6.973 1.00 0.00 O ATOM 1211 CB PHE B 4 10.359 4.914 -9.317 1.00 0.00 C ATOM 1212 CG PHE B 4 11.243 4.956 -10.530 1.00 0.00 C ATOM 1213 CD1 PHE B 4 11.964 6.096 -10.838 1.00 0.00 C ATOM 1214 CD2 PHE B 4 11.354 3.852 -11.363 1.00 0.00 C ATOM 1215 CE1 PHE B 4 12.780 6.135 -11.952 1.00 0.00 C ATOM 1216 CE2 PHE B 4 12.168 3.887 -12.479 1.00 0.00 C ATOM 1217 CZ PHE B 4 12.881 5.030 -12.773 1.00 0.00 C ATOM 0 H PHE B 4 11.706 2.844 -8.654 1.00 0.00 H new ATOM 0 HA PHE B 4 11.706 5.652 -7.837 1.00 0.00 H new ATOM 0 HB2 PHE B 4 9.651 4.092 -9.423 1.00 0.00 H new ATOM 0 HB3 PHE B 4 9.776 5.834 -9.271 1.00 0.00 H new ATOM 0 HD1 PHE B 4 11.888 6.965 -10.201 1.00 0.00 H new ATOM 0 HD2 PHE B 4 10.798 2.955 -11.136 1.00 0.00 H new ATOM 0 HE1 PHE B 4 13.339 7.030 -12.181 1.00 0.00 H new ATOM 0 HE2 PHE B 4 12.246 3.021 -13.120 1.00 0.00 H new ATOM 0 HZ PHE B 4 13.518 5.061 -13.645 1.00 0.00 H new ATOM 1227 N VAL B 5 10.492 5.137 -5.713 1.00 0.00 N ATOM 1228 CA VAL B 5 9.663 5.024 -4.530 1.00 0.00 C ATOM 1229 C VAL B 5 8.502 6.000 -4.621 1.00 0.00 C ATOM 1230 O VAL B 5 8.657 7.197 -4.380 1.00 0.00 O ATOM 1231 CB VAL B 5 10.467 5.287 -3.240 1.00 0.00 C ATOM 1232 CG1 VAL B 5 9.590 5.105 -2.010 1.00 0.00 C ATOM 1233 CG2 VAL B 5 11.683 4.372 -3.171 1.00 0.00 C ATOM 0 H VAL B 5 11.334 5.699 -5.587 1.00 0.00 H new ATOM 0 HA VAL B 5 9.285 4.003 -4.484 1.00 0.00 H new ATOM 0 HB VAL B 5 10.814 6.320 -3.260 1.00 0.00 H new ATOM 0 HG11 VAL B 5 10.178 5.296 -1.112 1.00 0.00 H new ATOM 0 HG12 VAL B 5 8.755 5.804 -2.052 1.00 0.00 H new ATOM 0 HG13 VAL B 5 9.208 4.085 -1.983 1.00 0.00 H new ATOM 0 HG21 VAL B 5 12.238 4.572 -2.254 1.00 0.00 H new ATOM 0 HG22 VAL B 5 11.357 3.332 -3.178 1.00 0.00 H new ATOM 0 HG23 VAL B 5 12.326 4.556 -4.032 1.00 0.00 H new ATOM 1243 N LYS B 6 7.351 5.482 -5.003 1.00 0.00 N ATOM 1244 CA LYS B 6 6.163 6.294 -5.174 1.00 0.00 C ATOM 1245 C LYS B 6 5.298 6.210 -3.927 1.00 0.00 C ATOM 1246 O LYS B 6 4.653 5.192 -3.665 1.00 0.00 O ATOM 1247 CB LYS B 6 5.386 5.828 -6.404 1.00 0.00 C ATOM 1248 CG LYS B 6 4.244 6.747 -6.809 1.00 0.00 C ATOM 1249 CD LYS B 6 3.491 6.181 -8.005 1.00 0.00 C ATOM 1250 CE LYS B 6 4.348 6.212 -9.266 1.00 0.00 C ATOM 1251 NZ LYS B 6 3.679 5.557 -10.421 1.00 0.00 N ATOM 0 H LYS B 6 7.214 4.491 -5.203 1.00 0.00 H new ATOM 0 HA LYS B 6 6.454 7.334 -5.324 1.00 0.00 H new ATOM 0 HB2 LYS B 6 6.077 5.736 -7.242 1.00 0.00 H new ATOM 0 HB3 LYS B 6 4.985 4.833 -6.210 1.00 0.00 H new ATOM 0 HG2 LYS B 6 3.560 6.875 -5.970 1.00 0.00 H new ATOM 0 HG3 LYS B 6 4.636 7.734 -7.054 1.00 0.00 H new ATOM 0 HD2 LYS B 6 3.188 5.155 -7.794 1.00 0.00 H new ATOM 0 HD3 LYS B 6 2.579 6.756 -8.168 1.00 0.00 H new ATOM 0 HE2 LYS B 6 4.577 7.247 -9.521 1.00 0.00 H new ATOM 0 HE3 LYS B 6 5.298 5.714 -9.069 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 4.300 5.603 -11.254 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 3.483 4.562 -10.190 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 2.785 6.047 -10.628 1.00 0.00 H new ATOM 1265 N THR B 7 5.304 7.277 -3.155 1.00 0.00 N ATOM 1266 CA THR B 7 4.594 7.314 -1.894 1.00 0.00 C ATOM 1267 C THR B 7 3.105 7.559 -2.106 1.00 0.00 C ATOM 1268 O THR B 7 2.684 8.051 -3.157 1.00 0.00 O ATOM 1269 CB THR B 7 5.155 8.422 -0.977 1.00 0.00 C ATOM 1270 OG1 THR B 7 4.872 9.712 -1.533 1.00 0.00 O ATOM 1271 CG2 THR B 7 6.657 8.272 -0.804 1.00 0.00 C ATOM 0 H THR B 7 5.799 8.139 -3.383 1.00 0.00 H new ATOM 0 HA THR B 7 4.734 6.343 -1.420 1.00 0.00 H new ATOM 0 HB THR B 7 4.675 8.328 -0.003 1.00 0.00 H new ATOM 0 HG1 THR B 7 5.159 10.409 -0.906 1.00 0.00 H new ATOM 0 HG21 THR B 7 7.029 9.064 -0.154 1.00 0.00 H new ATOM 0 HG22 THR B 7 6.877 7.302 -0.357 1.00 0.00 H new ATOM 0 HG23 THR B 7 7.144 8.342 -1.777 1.00 0.00 H new ATOM 1279 N LEU B 8 2.316 7.222 -1.095 1.00 0.00 N ATOM 1280 CA LEU B 8 0.888 7.516 -1.097 1.00 0.00 C ATOM 1281 C LEU B 8 0.643 9.022 -1.010 1.00 0.00 C ATOM 1282 O LEU B 8 -0.479 9.495 -1.193 1.00 0.00 O ATOM 1283 CB LEU B 8 0.197 6.778 0.058 1.00 0.00 C ATOM 1284 CG LEU B 8 0.984 6.713 1.375 1.00 0.00 C ATOM 1285 CD1 LEU B 8 1.014 8.066 2.078 1.00 0.00 C ATOM 1286 CD2 LEU B 8 0.390 5.652 2.282 1.00 0.00 C ATOM 0 H LEU B 8 2.643 6.741 -0.257 1.00 0.00 H new ATOM 0 HA LEU B 8 0.461 7.165 -2.036 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -0.760 7.262 0.252 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -0.020 5.760 -0.264 1.00 0.00 H new ATOM 0 HG LEU B 8 2.014 6.445 1.141 1.00 0.00 H new ATOM 0 HD11 LEU B 8 1.579 7.981 3.006 1.00 0.00 H new ATOM 0 HD12 LEU B 8 1.489 8.802 1.430 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -0.005 8.383 2.301 1.00 0.00 H new ATOM 0 HD21 LEU B 8 0.954 5.613 3.214 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -0.650 5.898 2.497 1.00 0.00 H new ATOM 0 HD23 LEU B 8 0.438 4.682 1.787 1.00 0.00 H new ATOM 1298 N THR B 9 1.711 9.760 -0.734 1.00 0.00 N ATOM 1299 CA THR B 9 1.664 11.209 -0.671 1.00 0.00 C ATOM 1300 C THR B 9 1.691 11.803 -2.079 1.00 0.00 C ATOM 1301 O THR B 9 1.407 12.983 -2.280 1.00 0.00 O ATOM 1302 CB THR B 9 2.865 11.748 0.130 1.00 0.00 C ATOM 1303 OG1 THR B 9 3.217 10.812 1.161 1.00 0.00 O ATOM 1304 CG2 THR B 9 2.541 13.092 0.763 1.00 0.00 C ATOM 0 H THR B 9 2.634 9.367 -0.548 1.00 0.00 H new ATOM 0 HA THR B 9 0.738 11.499 -0.174 1.00 0.00 H new ATOM 0 HB THR B 9 3.701 11.879 -0.557 1.00 0.00 H new ATOM 0 HG1 THR B 9 3.982 11.156 1.668 1.00 0.00 H new ATOM 0 HG21 THR B 9 3.406 13.449 1.322 1.00 0.00 H new ATOM 0 HG22 THR B 9 2.291 13.811 -0.017 1.00 0.00 H new ATOM 0 HG23 THR B 9 1.693 12.981 1.439 1.00 0.00 H new ATOM 1312 N GLY B 10 2.026 10.966 -3.054 1.00 0.00 N ATOM 1313 CA GLY B 10 2.111 11.418 -4.429 1.00 0.00 C ATOM 1314 C GLY B 10 3.534 11.733 -4.837 1.00 0.00 C ATOM 1315 O GLY B 10 3.774 12.370 -5.862 1.00 0.00 O ATOM 0 H GLY B 10 2.241 9.979 -2.915 1.00 0.00 H new ATOM 0 HA2 GLY B 10 1.707 10.650 -5.088 1.00 0.00 H new ATOM 0 HA3 GLY B 10 1.492 12.306 -4.557 1.00 0.00 H new ATOM 1319 N LYS B 11 4.486 11.276 -4.035 1.00 0.00 N ATOM 1320 CA LYS B 11 5.892 11.552 -4.283 1.00 0.00 C ATOM 1321 C LYS B 11 6.583 10.340 -4.877 1.00 0.00 C ATOM 1322 O LYS B 11 6.685 9.301 -4.235 1.00 0.00 O ATOM 1323 CB LYS B 11 6.598 11.955 -2.985 1.00 0.00 C ATOM 1324 CG LYS B 11 6.058 13.227 -2.352 1.00 0.00 C ATOM 1325 CD LYS B 11 6.341 14.439 -3.217 1.00 0.00 C ATOM 1326 CE LYS B 11 5.920 15.723 -2.526 1.00 0.00 C ATOM 1327 NZ LYS B 11 6.303 16.916 -3.319 1.00 0.00 N ATOM 0 H LYS B 11 4.308 10.711 -3.205 1.00 0.00 H new ATOM 0 HA LYS B 11 5.949 12.376 -4.994 1.00 0.00 H new ATOM 0 HB2 LYS B 11 6.509 11.139 -2.268 1.00 0.00 H new ATOM 0 HB3 LYS B 11 7.661 12.086 -3.188 1.00 0.00 H new ATOM 0 HG2 LYS B 11 4.983 13.131 -2.199 1.00 0.00 H new ATOM 0 HG3 LYS B 11 6.509 13.366 -1.370 1.00 0.00 H new ATOM 0 HD2 LYS B 11 7.405 14.481 -3.450 1.00 0.00 H new ATOM 0 HD3 LYS B 11 5.811 14.343 -4.165 1.00 0.00 H new ATOM 0 HE2 LYS B 11 4.841 15.718 -2.372 1.00 0.00 H new ATOM 0 HE3 LYS B 11 6.382 15.776 -1.540 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 6.001 17.777 -2.819 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 7.335 16.933 -3.445 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 5.842 16.877 -4.250 1.00 0.00 H new ATOM 1341 N THR B 12 7.051 10.470 -6.103 1.00 0.00 N ATOM 1342 CA THR B 12 7.811 9.410 -6.735 1.00 0.00 C ATOM 1343 C THR B 12 9.292 9.760 -6.694 1.00 0.00 C ATOM 1344 O THR B 12 9.799 10.485 -7.553 1.00 0.00 O ATOM 1345 CB THR B 12 7.362 9.181 -8.189 1.00 0.00 C ATOM 1346 OG1 THR B 12 5.933 9.092 -8.243 1.00 0.00 O ATOM 1347 CG2 THR B 12 7.972 7.906 -8.753 1.00 0.00 C ATOM 0 H THR B 12 6.918 11.300 -6.681 1.00 0.00 H new ATOM 0 HA THR B 12 7.633 8.485 -6.186 1.00 0.00 H new ATOM 0 HB THR B 12 7.704 10.023 -8.791 1.00 0.00 H new ATOM 0 HG1 THR B 12 5.639 9.108 -9.178 1.00 0.00 H new ATOM 0 HG21 THR B 12 7.639 7.767 -9.782 1.00 0.00 H new ATOM 0 HG22 THR B 12 9.059 7.982 -8.731 1.00 0.00 H new ATOM 0 HG23 THR B 12 7.655 7.054 -8.151 1.00 0.00 H new ATOM 1355 N ILE B 13 9.971 9.280 -5.666 1.00 0.00 N ATOM 1356 CA ILE B 13 11.367 9.616 -5.451 1.00 0.00 C ATOM 1357 C ILE B 13 12.268 8.485 -5.923 1.00 0.00 C ATOM 1358 O ILE B 13 12.120 7.341 -5.496 1.00 0.00 O ATOM 1359 CB ILE B 13 11.651 9.910 -3.962 1.00 0.00 C ATOM 1360 CG1 ILE B 13 10.665 10.952 -3.433 1.00 0.00 C ATOM 1361 CG2 ILE B 13 13.085 10.391 -3.777 1.00 0.00 C ATOM 1362 CD1 ILE B 13 10.817 11.236 -1.955 1.00 0.00 C ATOM 0 H ILE B 13 9.575 8.654 -4.965 1.00 0.00 H new ATOM 0 HA ILE B 13 11.579 10.515 -6.030 1.00 0.00 H new ATOM 0 HB ILE B 13 11.523 8.988 -3.394 1.00 0.00 H new ATOM 0 HG12 ILE B 13 10.798 11.880 -3.988 1.00 0.00 H new ATOM 0 HG13 ILE B 13 9.649 10.609 -3.626 1.00 0.00 H new ATOM 0 HG21 ILE B 13 13.268 10.593 -2.722 1.00 0.00 H new ATOM 0 HG22 ILE B 13 13.775 9.621 -4.123 1.00 0.00 H new ATOM 0 HG23 ILE B 13 13.240 11.303 -4.353 1.00 0.00 H new ATOM 0 HD11 ILE B 13 10.085 11.984 -1.651 1.00 0.00 H new ATOM 0 HD12 ILE B 13 10.654 10.318 -1.390 1.00 0.00 H new ATOM 0 HD13 ILE B 13 11.822 11.610 -1.758 1.00 0.00 H new ATOM 1374 N THR B 14 13.192 8.805 -6.814 1.00 0.00 N ATOM 1375 CA THR B 14 14.129 7.822 -7.318 1.00 0.00 C ATOM 1376 C THR B 14 15.261 7.612 -6.315 1.00 0.00 C ATOM 1377 O THR B 14 16.065 8.511 -6.068 1.00 0.00 O ATOM 1378 CB THR B 14 14.699 8.266 -8.677 1.00 0.00 C ATOM 1379 OG1 THR B 14 13.619 8.667 -9.536 1.00 0.00 O ATOM 1380 CG2 THR B 14 15.484 7.141 -9.336 1.00 0.00 C ATOM 0 H THR B 14 13.311 9.741 -7.202 1.00 0.00 H new ATOM 0 HA THR B 14 13.600 6.879 -7.457 1.00 0.00 H new ATOM 0 HB THR B 14 15.377 9.103 -8.512 1.00 0.00 H new ATOM 0 HG1 THR B 14 13.395 7.932 -10.144 1.00 0.00 H new ATOM 0 HG21 THR B 14 15.875 7.483 -10.294 1.00 0.00 H new ATOM 0 HG22 THR B 14 16.312 6.848 -8.690 1.00 0.00 H new ATOM 0 HG23 THR B 14 14.828 6.285 -9.496 1.00 0.00 H new ATOM 1388 N LEU B 15 15.301 6.429 -5.722 1.00 0.00 N ATOM 1389 CA LEU B 15 16.300 6.110 -4.713 1.00 0.00 C ATOM 1390 C LEU B 15 17.461 5.331 -5.311 1.00 0.00 C ATOM 1391 O LEU B 15 17.260 4.377 -6.068 1.00 0.00 O ATOM 1392 CB LEU B 15 15.678 5.300 -3.570 1.00 0.00 C ATOM 1393 CG LEU B 15 15.376 6.087 -2.292 1.00 0.00 C ATOM 1394 CD1 LEU B 15 16.639 6.753 -1.772 1.00 0.00 C ATOM 1395 CD2 LEU B 15 14.290 7.120 -2.531 1.00 0.00 C ATOM 0 H LEU B 15 14.650 5.670 -5.923 1.00 0.00 H new ATOM 0 HA LEU B 15 16.678 7.054 -4.321 1.00 0.00 H new ATOM 0 HB2 LEU B 15 14.751 4.853 -3.928 1.00 0.00 H new ATOM 0 HB3 LEU B 15 16.352 4.480 -3.320 1.00 0.00 H new ATOM 0 HG LEU B 15 15.014 5.387 -1.539 1.00 0.00 H new ATOM 0 HD11 LEU B 15 16.409 7.309 -0.863 1.00 0.00 H new ATOM 0 HD12 LEU B 15 17.388 5.992 -1.552 1.00 0.00 H new ATOM 0 HD13 LEU B 15 17.027 7.437 -2.527 1.00 0.00 H new ATOM 0 HD21 LEU B 15 14.096 7.664 -1.607 1.00 0.00 H new ATOM 0 HD22 LEU B 15 14.616 7.819 -3.302 1.00 0.00 H new ATOM 0 HD23 LEU B 15 13.378 6.620 -2.856 1.00 0.00 H new ATOM 1407 N GLU B 16 18.669 5.750 -4.968 1.00 0.00 N ATOM 1408 CA GLU B 16 19.871 5.036 -5.360 1.00 0.00 C ATOM 1409 C GLU B 16 20.095 3.887 -4.379 1.00 0.00 C ATOM 1410 O GLU B 16 20.448 4.105 -3.214 1.00 0.00 O ATOM 1411 CB GLU B 16 21.064 6.002 -5.371 1.00 0.00 C ATOM 1412 CG GLU B 16 22.295 5.497 -6.117 1.00 0.00 C ATOM 1413 CD GLU B 16 23.009 4.367 -5.408 1.00 0.00 C ATOM 1414 OE1 GLU B 16 23.498 4.578 -4.277 1.00 0.00 O ATOM 1415 OE2 GLU B 16 23.086 3.259 -5.975 1.00 0.00 O ATOM 0 H GLU B 16 18.842 6.589 -4.414 1.00 0.00 H new ATOM 0 HA GLU B 16 19.764 4.627 -6.365 1.00 0.00 H new ATOM 0 HB2 GLU B 16 20.746 6.943 -5.820 1.00 0.00 H new ATOM 0 HB3 GLU B 16 21.346 6.219 -4.341 1.00 0.00 H new ATOM 0 HG2 GLU B 16 21.996 5.161 -7.110 1.00 0.00 H new ATOM 0 HG3 GLU B 16 22.990 6.325 -6.257 1.00 0.00 H new ATOM 1422 N VAL B 17 19.853 2.671 -4.844 1.00 0.00 N ATOM 1423 CA VAL B 17 19.922 1.495 -3.990 1.00 0.00 C ATOM 1424 C VAL B 17 20.660 0.361 -4.688 1.00 0.00 C ATOM 1425 O VAL B 17 21.041 0.477 -5.851 1.00 0.00 O ATOM 1426 CB VAL B 17 18.514 0.998 -3.581 1.00 0.00 C ATOM 1427 CG1 VAL B 17 17.785 2.044 -2.749 1.00 0.00 C ATOM 1428 CG2 VAL B 17 17.703 0.625 -4.812 1.00 0.00 C ATOM 0 H VAL B 17 19.606 2.472 -5.813 1.00 0.00 H new ATOM 0 HA VAL B 17 20.465 1.791 -3.092 1.00 0.00 H new ATOM 0 HB VAL B 17 18.634 0.107 -2.965 1.00 0.00 H new ATOM 0 HG11 VAL B 17 16.799 1.669 -2.476 1.00 0.00 H new ATOM 0 HG12 VAL B 17 18.357 2.253 -1.845 1.00 0.00 H new ATOM 0 HG13 VAL B 17 17.676 2.960 -3.330 1.00 0.00 H new ATOM 0 HG21 VAL B 17 16.716 0.278 -4.506 1.00 0.00 H new ATOM 0 HG22 VAL B 17 17.597 1.498 -5.456 1.00 0.00 H new ATOM 0 HG23 VAL B 17 18.214 -0.168 -5.358 1.00 0.00 H new ATOM 1438 N GLU B 18 20.853 -0.733 -3.975 1.00 0.00 N ATOM 1439 CA GLU B 18 21.532 -1.892 -4.523 1.00 0.00 C ATOM 1440 C GLU B 18 20.627 -3.109 -4.407 1.00 0.00 C ATOM 1441 O GLU B 18 19.726 -3.130 -3.573 1.00 0.00 O ATOM 1442 CB GLU B 18 22.857 -2.121 -3.783 1.00 0.00 C ATOM 1443 CG GLU B 18 23.726 -3.208 -4.395 1.00 0.00 C ATOM 1444 CD GLU B 18 23.948 -2.991 -5.875 1.00 0.00 C ATOM 1445 OE1 GLU B 18 24.908 -2.284 -6.237 1.00 0.00 O ATOM 1446 OE2 GLU B 18 23.145 -3.513 -6.675 1.00 0.00 O ATOM 0 H GLU B 18 20.547 -0.843 -3.008 1.00 0.00 H new ATOM 0 HA GLU B 18 21.757 -1.723 -5.576 1.00 0.00 H new ATOM 0 HB2 GLU B 18 23.419 -1.187 -3.767 1.00 0.00 H new ATOM 0 HB3 GLU B 18 22.642 -2.382 -2.747 1.00 0.00 H new ATOM 0 HG2 GLU B 18 24.689 -3.233 -3.884 1.00 0.00 H new ATOM 0 HG3 GLU B 18 23.256 -4.179 -4.238 1.00 0.00 H new ATOM 1453 N SER B 19 20.849 -4.108 -5.249 1.00 0.00 N ATOM 1454 CA SER B 19 20.060 -5.329 -5.198 1.00 0.00 C ATOM 1455 C SER B 19 20.246 -6.005 -3.845 1.00 0.00 C ATOM 1456 O SER B 19 19.286 -6.451 -3.215 1.00 0.00 O ATOM 1457 CB SER B 19 20.467 -6.277 -6.331 1.00 0.00 C ATOM 1458 OG SER B 19 19.652 -7.437 -6.350 1.00 0.00 O ATOM 0 H SER B 19 21.567 -4.097 -5.973 1.00 0.00 H new ATOM 0 HA SER B 19 19.007 -5.077 -5.326 1.00 0.00 H new ATOM 0 HB2 SER B 19 20.389 -5.759 -7.287 1.00 0.00 H new ATOM 0 HB3 SER B 19 21.511 -6.565 -6.209 1.00 0.00 H new ATOM 0 HG SER B 19 19.934 -8.023 -7.084 1.00 0.00 H new ATOM 1464 N SER B 20 21.486 -6.038 -3.382 1.00 0.00 N ATOM 1465 CA SER B 20 21.812 -6.674 -2.118 1.00 0.00 C ATOM 1466 C SER B 20 21.669 -5.686 -0.961 1.00 0.00 C ATOM 1467 O SER B 20 22.228 -5.886 0.118 1.00 0.00 O ATOM 1468 CB SER B 20 23.233 -7.230 -2.188 1.00 0.00 C ATOM 1469 OG SER B 20 23.406 -8.002 -3.368 1.00 0.00 O ATOM 0 H SER B 20 22.285 -5.629 -3.866 1.00 0.00 H new ATOM 0 HA SER B 20 21.116 -7.493 -1.937 1.00 0.00 H new ATOM 0 HB2 SER B 20 23.952 -6.411 -2.173 1.00 0.00 H new ATOM 0 HB3 SER B 20 23.433 -7.845 -1.311 1.00 0.00 H new ATOM 0 HG SER B 20 24.322 -8.350 -3.400 1.00 0.00 H new ATOM 1475 N ASP B 21 20.903 -4.626 -1.186 1.00 0.00 N ATOM 1476 CA ASP B 21 20.647 -3.632 -0.153 1.00 0.00 C ATOM 1477 C ASP B 21 19.388 -4.029 0.608 1.00 0.00 C ATOM 1478 O ASP B 21 18.392 -4.427 -0.001 1.00 0.00 O ATOM 1479 CB ASP B 21 20.481 -2.242 -0.781 1.00 0.00 C ATOM 1480 CG ASP B 21 20.686 -1.107 0.200 1.00 0.00 C ATOM 1481 OD1 ASP B 21 21.555 -1.232 1.087 1.00 0.00 O ATOM 1482 OD2 ASP B 21 20.019 -0.062 0.051 1.00 0.00 O ATOM 0 H ASP B 21 20.447 -4.433 -2.078 1.00 0.00 H new ATOM 0 HA ASP B 21 21.491 -3.591 0.536 1.00 0.00 H new ATOM 0 HB2 ASP B 21 21.191 -2.135 -1.601 1.00 0.00 H new ATOM 0 HB3 ASP B 21 19.483 -2.164 -1.212 1.00 0.00 H new ATOM 1487 N THR B 22 19.443 -3.950 1.927 1.00 0.00 N ATOM 1488 CA THR B 22 18.339 -4.394 2.764 1.00 0.00 C ATOM 1489 C THR B 22 17.172 -3.413 2.718 1.00 0.00 C ATOM 1490 O THR B 22 17.368 -2.205 2.553 1.00 0.00 O ATOM 1491 CB THR B 22 18.794 -4.586 4.226 1.00 0.00 C ATOM 1492 OG1 THR B 22 19.411 -3.385 4.709 1.00 0.00 O ATOM 1493 CG2 THR B 22 19.770 -5.747 4.345 1.00 0.00 C ATOM 0 H THR B 22 20.242 -3.582 2.443 1.00 0.00 H new ATOM 0 HA THR B 22 18.004 -5.352 2.366 1.00 0.00 H new ATOM 0 HB THR B 22 17.914 -4.811 4.829 1.00 0.00 H new ATOM 0 HG1 THR B 22 19.695 -3.514 5.638 1.00 0.00 H new ATOM 0 HG21 THR B 22 20.075 -5.861 5.385 1.00 0.00 H new ATOM 0 HG22 THR B 22 19.288 -6.664 4.006 1.00 0.00 H new ATOM 0 HG23 THR B 22 20.647 -5.549 3.729 1.00 0.00 H new ATOM 1501 N ILE B 23 15.960 -3.944 2.862 1.00 0.00 N ATOM 1502 CA ILE B 23 14.748 -3.131 2.865 1.00 0.00 C ATOM 1503 C ILE B 23 14.845 -2.043 3.926 1.00 0.00 C ATOM 1504 O ILE B 23 14.472 -0.893 3.694 1.00 0.00 O ATOM 1505 CB ILE B 23 13.490 -3.986 3.153 1.00 0.00 C ATOM 1506 CG1 ILE B 23 13.458 -5.233 2.262 1.00 0.00 C ATOM 1507 CG2 ILE B 23 12.226 -3.160 2.954 1.00 0.00 C ATOM 1508 CD1 ILE B 23 13.483 -4.936 0.778 1.00 0.00 C ATOM 0 H ILE B 23 15.792 -4.943 2.979 1.00 0.00 H new ATOM 0 HA ILE B 23 14.656 -2.687 1.874 1.00 0.00 H new ATOM 0 HB ILE B 23 13.534 -4.311 4.192 1.00 0.00 H new ATOM 0 HG12 ILE B 23 14.311 -5.864 2.509 1.00 0.00 H new ATOM 0 HG13 ILE B 23 12.560 -5.807 2.491 1.00 0.00 H new ATOM 0 HG21 ILE B 23 11.352 -3.777 3.161 1.00 0.00 H new ATOM 0 HG22 ILE B 23 12.238 -2.308 3.634 1.00 0.00 H new ATOM 0 HG23 ILE B 23 12.183 -2.803 1.925 1.00 0.00 H new ATOM 0 HD11 ILE B 23 13.458 -5.872 0.219 1.00 0.00 H new ATOM 0 HD12 ILE B 23 12.615 -4.332 0.513 1.00 0.00 H new ATOM 0 HD13 ILE B 23 14.394 -4.390 0.531 1.00 0.00 H new ATOM 1520 N ASP B 24 15.358 -2.427 5.087 1.00 0.00 N ATOM 1521 CA ASP B 24 15.555 -1.509 6.203 1.00 0.00 C ATOM 1522 C ASP B 24 16.447 -0.335 5.811 1.00 0.00 C ATOM 1523 O ASP B 24 16.158 0.818 6.147 1.00 0.00 O ATOM 1524 CB ASP B 24 16.165 -2.263 7.386 1.00 0.00 C ATOM 1525 CG ASP B 24 16.690 -1.342 8.468 1.00 0.00 C ATOM 1526 OD1 ASP B 24 15.883 -0.827 9.267 1.00 0.00 O ATOM 1527 OD2 ASP B 24 17.919 -1.147 8.534 1.00 0.00 O ATOM 0 H ASP B 24 15.650 -3.385 5.283 1.00 0.00 H new ATOM 0 HA ASP B 24 14.584 -1.105 6.488 1.00 0.00 H new ATOM 0 HB2 ASP B 24 15.413 -2.926 7.814 1.00 0.00 H new ATOM 0 HB3 ASP B 24 16.978 -2.894 7.027 1.00 0.00 H new ATOM 1532 N ASN B 25 17.519 -0.624 5.085 1.00 0.00 N ATOM 1533 CA ASN B 25 18.453 0.413 4.668 1.00 0.00 C ATOM 1534 C ASN B 25 17.798 1.343 3.657 1.00 0.00 C ATOM 1535 O ASN B 25 18.009 2.557 3.687 1.00 0.00 O ATOM 1536 CB ASN B 25 19.716 -0.196 4.068 1.00 0.00 C ATOM 1537 CG ASN B 25 20.840 0.814 3.961 1.00 0.00 C ATOM 1538 OD1 ASN B 25 20.941 1.741 4.768 1.00 0.00 O ATOM 1539 ND2 ASN B 25 21.694 0.652 2.968 1.00 0.00 N ATOM 0 H ASN B 25 17.763 -1.564 4.774 1.00 0.00 H new ATOM 0 HA ASN B 25 18.732 0.986 5.552 1.00 0.00 H new ATOM 0 HB2 ASN B 25 20.041 -1.035 4.683 1.00 0.00 H new ATOM 0 HB3 ASN B 25 19.491 -0.594 3.078 1.00 0.00 H new ATOM 0 HD21 ASN B 25 22.468 1.305 2.850 1.00 0.00 H new ATOM 0 HD22 ASN B 25 21.580 -0.127 2.319 1.00 0.00 H new ATOM 1546 N VAL B 26 16.995 0.773 2.767 1.00 0.00 N ATOM 1547 CA VAL B 26 16.239 1.557 1.807 1.00 0.00 C ATOM 1548 C VAL B 26 15.291 2.508 2.537 1.00 0.00 C ATOM 1549 O VAL B 26 15.204 3.688 2.201 1.00 0.00 O ATOM 1550 CB VAL B 26 15.436 0.652 0.854 1.00 0.00 C ATOM 1551 CG1 VAL B 26 14.702 1.483 -0.180 1.00 0.00 C ATOM 1552 CG2 VAL B 26 16.346 -0.363 0.179 1.00 0.00 C ATOM 0 H VAL B 26 16.852 -0.234 2.693 1.00 0.00 H new ATOM 0 HA VAL B 26 16.948 2.134 1.213 1.00 0.00 H new ATOM 0 HB VAL B 26 14.698 0.108 1.443 1.00 0.00 H new ATOM 0 HG11 VAL B 26 14.141 0.825 -0.844 1.00 0.00 H new ATOM 0 HG12 VAL B 26 14.015 2.164 0.322 1.00 0.00 H new ATOM 0 HG13 VAL B 26 15.422 2.058 -0.763 1.00 0.00 H new ATOM 0 HG21 VAL B 26 15.757 -0.991 -0.489 1.00 0.00 H new ATOM 0 HG22 VAL B 26 17.112 0.160 -0.395 1.00 0.00 H new ATOM 0 HG23 VAL B 26 16.822 -0.985 0.937 1.00 0.00 H new ATOM 1562 N LYS B 27 14.609 1.989 3.556 1.00 0.00 N ATOM 1563 CA LYS B 27 13.727 2.804 4.391 1.00 0.00 C ATOM 1564 C LYS B 27 14.518 3.933 5.050 1.00 0.00 C ATOM 1565 O LYS B 27 14.022 5.050 5.214 1.00 0.00 O ATOM 1566 CB LYS B 27 13.076 1.954 5.486 1.00 0.00 C ATOM 1567 CG LYS B 27 12.232 0.794 4.987 1.00 0.00 C ATOM 1568 CD LYS B 27 11.761 -0.059 6.157 1.00 0.00 C ATOM 1569 CE LYS B 27 10.914 -1.237 5.714 1.00 0.00 C ATOM 1570 NZ LYS B 27 10.409 -2.018 6.878 1.00 0.00 N ATOM 0 H LYS B 27 14.650 1.006 3.824 1.00 0.00 H new ATOM 0 HA LYS B 27 12.951 3.221 3.749 1.00 0.00 H new ATOM 0 HB2 LYS B 27 13.860 1.560 6.133 1.00 0.00 H new ATOM 0 HB3 LYS B 27 12.450 2.600 6.101 1.00 0.00 H new ATOM 0 HG2 LYS B 27 11.372 1.172 4.435 1.00 0.00 H new ATOM 0 HG3 LYS B 27 12.813 0.185 4.294 1.00 0.00 H new ATOM 0 HD2 LYS B 27 12.628 -0.425 6.707 1.00 0.00 H new ATOM 0 HD3 LYS B 27 11.185 0.560 6.845 1.00 0.00 H new ATOM 0 HE2 LYS B 27 10.071 -0.878 5.123 1.00 0.00 H new ATOM 0 HE3 LYS B 27 11.503 -1.887 5.067 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 10.088 -2.953 6.556 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 11.172 -2.135 7.575 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 9.614 -1.512 7.317 1.00 0.00 H new ATOM 1584 N SER B 28 15.753 3.630 5.429 1.00 0.00 N ATOM 1585 CA SER B 28 16.633 4.611 6.039 1.00 0.00 C ATOM 1586 C SER B 28 17.045 5.677 5.026 1.00 0.00 C ATOM 1587 O SER B 28 17.282 6.830 5.383 1.00 0.00 O ATOM 1588 CB SER B 28 17.858 3.917 6.617 1.00 0.00 C ATOM 1589 OG SER B 28 17.477 2.902 7.532 1.00 0.00 O ATOM 0 H SER B 28 16.168 2.704 5.322 1.00 0.00 H new ATOM 0 HA SER B 28 16.095 5.108 6.846 1.00 0.00 H new ATOM 0 HB2 SER B 28 18.450 3.483 5.811 1.00 0.00 H new ATOM 0 HB3 SER B 28 18.492 4.647 7.120 1.00 0.00 H new ATOM 0 HG SER B 28 17.047 2.168 7.046 1.00 0.00 H new ATOM 1595 N LYS B 29 17.111 5.287 3.759 1.00 0.00 N ATOM 1596 CA LYS B 29 17.397 6.230 2.686 1.00 0.00 C ATOM 1597 C LYS B 29 16.178 7.115 2.430 1.00 0.00 C ATOM 1598 O LYS B 29 16.300 8.229 1.926 1.00 0.00 O ATOM 1599 CB LYS B 29 17.815 5.484 1.415 1.00 0.00 C ATOM 1600 CG LYS B 29 19.133 4.739 1.569 1.00 0.00 C ATOM 1601 CD LYS B 29 19.455 3.880 0.356 1.00 0.00 C ATOM 1602 CE LYS B 29 20.819 3.221 0.499 1.00 0.00 C ATOM 1603 NZ LYS B 29 21.100 2.256 -0.597 1.00 0.00 N ATOM 0 H LYS B 29 16.970 4.325 3.450 1.00 0.00 H new ATOM 0 HA LYS B 29 18.227 6.869 2.986 1.00 0.00 H new ATOM 0 HB2 LYS B 29 17.033 4.775 1.143 1.00 0.00 H new ATOM 0 HB3 LYS B 29 17.900 6.196 0.594 1.00 0.00 H new ATOM 0 HG2 LYS B 29 19.938 5.457 1.727 1.00 0.00 H new ATOM 0 HG3 LYS B 29 19.090 4.108 2.457 1.00 0.00 H new ATOM 0 HD2 LYS B 29 18.689 3.114 0.235 1.00 0.00 H new ATOM 0 HD3 LYS B 29 19.437 4.495 -0.544 1.00 0.00 H new ATOM 0 HE2 LYS B 29 21.592 3.990 0.509 1.00 0.00 H new ATOM 0 HE3 LYS B 29 20.871 2.704 1.457 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 22.047 1.846 -0.465 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 20.389 1.497 -0.582 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 21.061 2.749 -1.512 1.00 0.00 H new ATOM 1617 N ILE B 30 15.002 6.605 2.781 1.00 0.00 N ATOM 1618 CA ILE B 30 13.790 7.417 2.780 1.00 0.00 C ATOM 1619 C ILE B 30 13.847 8.401 3.943 1.00 0.00 C ATOM 1620 O ILE B 30 13.535 9.585 3.796 1.00 0.00 O ATOM 1621 CB ILE B 30 12.511 6.559 2.926 1.00 0.00 C ATOM 1622 CG1 ILE B 30 12.534 5.358 1.973 1.00 0.00 C ATOM 1623 CG2 ILE B 30 11.271 7.409 2.687 1.00 0.00 C ATOM 1624 CD1 ILE B 30 12.607 5.723 0.509 1.00 0.00 C ATOM 0 H ILE B 30 14.862 5.636 3.069 1.00 0.00 H new ATOM 0 HA ILE B 30 13.744 7.937 1.823 1.00 0.00 H new ATOM 0 HB ILE B 30 12.479 6.174 3.945 1.00 0.00 H new ATOM 0 HG12 ILE B 30 13.389 4.729 2.221 1.00 0.00 H new ATOM 0 HG13 ILE B 30 11.639 4.759 2.141 1.00 0.00 H new ATOM 0 HG21 ILE B 30 10.380 6.790 2.793 1.00 0.00 H new ATOM 0 HG22 ILE B 30 11.239 8.219 3.415 1.00 0.00 H new ATOM 0 HG23 ILE B 30 11.305 7.827 1.681 1.00 0.00 H new ATOM 0 HD11 ILE B 30 12.619 4.814 -0.092 1.00 0.00 H new ATOM 0 HD12 ILE B 30 11.739 6.325 0.240 1.00 0.00 H new ATOM 0 HD13 ILE B 30 13.516 6.294 0.321 1.00 0.00 H new ATOM 1636 N GLN B 31 14.264 7.893 5.101 1.00 0.00 N ATOM 1637 CA GLN B 31 14.427 8.706 6.305 1.00 0.00 C ATOM 1638 C GLN B 31 15.436 9.821 6.056 1.00 0.00 C ATOM 1639 O GLN B 31 15.301 10.924 6.583 1.00 0.00 O ATOM 1640 CB GLN B 31 14.896 7.826 7.467 1.00 0.00 C ATOM 1641 CG GLN B 31 14.879 8.518 8.824 1.00 0.00 C ATOM 1642 CD GLN B 31 15.401 7.630 9.940 1.00 0.00 C ATOM 1643 OE1 GLN B 31 14.953 7.718 11.082 1.00 0.00 O ATOM 1644 NE2 GLN B 31 16.372 6.785 9.624 1.00 0.00 N ATOM 0 H GLN B 31 14.498 6.909 5.231 1.00 0.00 H new ATOM 0 HA GLN B 31 13.467 9.154 6.561 1.00 0.00 H new ATOM 0 HB2 GLN B 31 14.262 6.941 7.516 1.00 0.00 H new ATOM 0 HB3 GLN B 31 15.909 7.482 7.261 1.00 0.00 H new ATOM 0 HG2 GLN B 31 15.483 9.424 8.773 1.00 0.00 H new ATOM 0 HG3 GLN B 31 13.860 8.827 9.057 1.00 0.00 H new ATOM 0 HE21 GLN B 31 16.718 6.741 8.665 1.00 0.00 H new ATOM 0 HE22 GLN B 31 16.774 6.179 10.339 1.00 0.00 H new ATOM 1653 N ASP B 32 16.435 9.517 5.234 1.00 0.00 N ATOM 1654 CA ASP B 32 17.462 10.480 4.834 1.00 0.00 C ATOM 1655 C ASP B 32 16.849 11.728 4.208 1.00 0.00 C ATOM 1656 O ASP B 32 17.370 12.832 4.365 1.00 0.00 O ATOM 1657 CB ASP B 32 18.423 9.816 3.837 1.00 0.00 C ATOM 1658 CG ASP B 32 19.306 10.803 3.091 1.00 0.00 C ATOM 1659 OD1 ASP B 32 20.233 11.367 3.707 1.00 0.00 O ATOM 1660 OD2 ASP B 32 19.101 10.991 1.869 1.00 0.00 O ATOM 0 H ASP B 32 16.558 8.592 4.823 1.00 0.00 H new ATOM 0 HA ASP B 32 18.005 10.789 5.727 1.00 0.00 H new ATOM 0 HB2 ASP B 32 19.056 9.108 4.372 1.00 0.00 H new ATOM 0 HB3 ASP B 32 17.843 9.242 3.114 1.00 0.00 H new ATOM 1665 N LYS B 33 15.732 11.555 3.518 1.00 0.00 N ATOM 1666 CA LYS B 33 15.142 12.643 2.756 1.00 0.00 C ATOM 1667 C LYS B 33 13.836 13.125 3.374 1.00 0.00 C ATOM 1668 O LYS B 33 13.742 14.264 3.830 1.00 0.00 O ATOM 1669 CB LYS B 33 14.923 12.190 1.315 1.00 0.00 C ATOM 1670 CG LYS B 33 16.162 11.546 0.722 1.00 0.00 C ATOM 1671 CD LYS B 33 15.996 11.200 -0.743 1.00 0.00 C ATOM 1672 CE LYS B 33 17.224 10.470 -1.260 1.00 0.00 C ATOM 1673 NZ LYS B 33 18.483 11.174 -0.888 1.00 0.00 N ATOM 0 H LYS B 33 15.218 10.675 3.470 1.00 0.00 H new ATOM 0 HA LYS B 33 15.831 13.487 2.772 1.00 0.00 H new ATOM 0 HB2 LYS B 33 14.095 11.481 1.281 1.00 0.00 H new ATOM 0 HB3 LYS B 33 14.634 13.047 0.706 1.00 0.00 H new ATOM 0 HG2 LYS B 33 17.009 12.222 0.838 1.00 0.00 H new ATOM 0 HG3 LYS B 33 16.399 10.640 1.281 1.00 0.00 H new ATOM 0 HD2 LYS B 33 15.112 10.577 -0.878 1.00 0.00 H new ATOM 0 HD3 LYS B 33 15.836 12.110 -1.322 1.00 0.00 H new ATOM 0 HE2 LYS B 33 17.241 9.457 -0.857 1.00 0.00 H new ATOM 0 HE3 LYS B 33 17.164 10.381 -2.345 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 19.267 10.815 -1.470 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 18.371 12.195 -1.050 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 18.692 11.004 0.117 1.00 0.00 H new ATOM 1687 N GLU B 34 12.841 12.252 3.412 1.00 0.00 N ATOM 1688 CA GLU B 34 11.517 12.627 3.888 1.00 0.00 C ATOM 1689 C GLU B 34 11.490 12.750 5.410 1.00 0.00 C ATOM 1690 O GLU B 34 10.641 13.444 5.968 1.00 0.00 O ATOM 1691 CB GLU B 34 10.477 11.605 3.425 1.00 0.00 C ATOM 1692 CG GLU B 34 10.382 11.468 1.914 1.00 0.00 C ATOM 1693 CD GLU B 34 10.071 12.784 1.226 1.00 0.00 C ATOM 1694 OE1 GLU B 34 8.876 13.114 1.066 1.00 0.00 O ATOM 1695 OE2 GLU B 34 11.022 13.499 0.848 1.00 0.00 O ATOM 0 H GLU B 34 12.925 11.279 3.119 1.00 0.00 H new ATOM 0 HA GLU B 34 11.273 13.601 3.465 1.00 0.00 H new ATOM 0 HB2 GLU B 34 10.720 10.633 3.854 1.00 0.00 H new ATOM 0 HB3 GLU B 34 9.501 11.891 3.817 1.00 0.00 H new ATOM 0 HG2 GLU B 34 11.323 11.075 1.529 1.00 0.00 H new ATOM 0 HG3 GLU B 34 9.608 10.742 1.667 1.00 0.00 H new ATOM 1702 N GLY B 35 12.428 12.084 6.074 1.00 0.00 N ATOM 1703 CA GLY B 35 12.470 12.116 7.526 1.00 0.00 C ATOM 1704 C GLY B 35 11.374 11.272 8.148 1.00 0.00 C ATOM 1705 O GLY B 35 10.694 11.703 9.075 1.00 0.00 O ATOM 0 H GLY B 35 13.159 11.524 5.635 1.00 0.00 H new ATOM 0 HA2 GLY B 35 13.441 11.758 7.868 1.00 0.00 H new ATOM 0 HA3 GLY B 35 12.372 13.146 7.868 1.00 0.00 H new ATOM 1709 N ILE B 36 11.194 10.072 7.622 1.00 0.00 N ATOM 1710 CA ILE B 36 10.161 9.170 8.104 1.00 0.00 C ATOM 1711 C ILE B 36 10.791 7.971 8.807 1.00 0.00 C ATOM 1712 O ILE B 36 11.761 7.404 8.305 1.00 0.00 O ATOM 1713 CB ILE B 36 9.282 8.672 6.933 1.00 0.00 C ATOM 1714 CG1 ILE B 36 8.676 9.864 6.184 1.00 0.00 C ATOM 1715 CG2 ILE B 36 8.185 7.743 7.436 1.00 0.00 C ATOM 1716 CD1 ILE B 36 7.878 9.474 4.956 1.00 0.00 C ATOM 0 H ILE B 36 11.754 9.698 6.856 1.00 0.00 H new ATOM 0 HA ILE B 36 9.537 9.718 8.810 1.00 0.00 H new ATOM 0 HB ILE B 36 9.912 8.109 6.244 1.00 0.00 H new ATOM 0 HG12 ILE B 36 8.030 10.418 6.865 1.00 0.00 H new ATOM 0 HG13 ILE B 36 9.478 10.539 5.885 1.00 0.00 H new ATOM 0 HG21 ILE B 36 7.580 7.406 6.595 1.00 0.00 H new ATOM 0 HG22 ILE B 36 8.635 6.881 7.928 1.00 0.00 H new ATOM 0 HG23 ILE B 36 7.553 8.277 8.146 1.00 0.00 H new ATOM 0 HD11 ILE B 36 7.481 10.371 4.480 1.00 0.00 H new ATOM 0 HD12 ILE B 36 8.524 8.946 4.254 1.00 0.00 H new ATOM 0 HD13 ILE B 36 7.054 8.824 5.249 1.00 0.00 H new ATOM 1728 N PRO B 37 10.270 7.591 9.986 1.00 0.00 N ATOM 1729 CA PRO B 37 10.714 6.385 10.697 1.00 0.00 C ATOM 1730 C PRO B 37 10.659 5.149 9.799 1.00 0.00 C ATOM 1731 O PRO B 37 9.600 4.809 9.270 1.00 0.00 O ATOM 1732 CB PRO B 37 9.709 6.260 11.845 1.00 0.00 C ATOM 1733 CG PRO B 37 9.222 7.646 12.074 1.00 0.00 C ATOM 1734 CD PRO B 37 9.223 8.315 10.728 1.00 0.00 C ATOM 0 HA PRO B 37 11.749 6.457 11.032 1.00 0.00 H new ATOM 0 HB2 PRO B 37 8.890 5.591 11.583 1.00 0.00 H new ATOM 0 HB3 PRO B 37 10.179 5.853 12.740 1.00 0.00 H new ATOM 0 HG2 PRO B 37 8.221 7.641 12.506 1.00 0.00 H new ATOM 0 HG3 PRO B 37 9.869 8.176 12.773 1.00 0.00 H new ATOM 0 HD2 PRO B 37 8.253 8.232 10.238 1.00 0.00 H new ATOM 0 HD3 PRO B 37 9.450 9.378 10.808 1.00 0.00 H new ATOM 1742 N PRO B 38 11.805 4.479 9.604 1.00 0.00 N ATOM 1743 CA PRO B 38 11.921 3.336 8.688 1.00 0.00 C ATOM 1744 C PRO B 38 10.941 2.210 9.003 1.00 0.00 C ATOM 1745 O PRO B 38 10.295 1.673 8.106 1.00 0.00 O ATOM 1746 CB PRO B 38 13.365 2.860 8.884 1.00 0.00 C ATOM 1747 CG PRO B 38 14.088 4.049 9.411 1.00 0.00 C ATOM 1748 CD PRO B 38 13.090 4.790 10.254 1.00 0.00 C ATOM 0 HA PRO B 38 11.685 3.625 7.664 1.00 0.00 H new ATOM 0 HB2 PRO B 38 13.415 2.025 9.583 1.00 0.00 H new ATOM 0 HB3 PRO B 38 13.799 2.517 7.945 1.00 0.00 H new ATOM 0 HG2 PRO B 38 14.954 3.751 10.001 1.00 0.00 H new ATOM 0 HG3 PRO B 38 14.456 4.675 8.598 1.00 0.00 H new ATOM 0 HD2 PRO B 38 13.109 4.453 11.290 1.00 0.00 H new ATOM 0 HD3 PRO B 38 13.288 5.862 10.264 1.00 0.00 H new ATOM 1756 N ASP B 39 10.797 1.882 10.277 1.00 0.00 N ATOM 1757 CA ASP B 39 9.959 0.760 10.688 1.00 0.00 C ATOM 1758 C ASP B 39 8.474 1.118 10.625 1.00 0.00 C ATOM 1759 O ASP B 39 7.610 0.284 10.893 1.00 0.00 O ATOM 1760 CB ASP B 39 10.342 0.299 12.096 1.00 0.00 C ATOM 1761 CG ASP B 39 10.017 1.314 13.175 1.00 0.00 C ATOM 1762 OD1 ASP B 39 10.285 2.522 12.987 1.00 0.00 O ATOM 1763 OD2 ASP B 39 9.496 0.903 14.231 1.00 0.00 O ATOM 0 H ASP B 39 11.249 2.375 11.047 1.00 0.00 H new ATOM 0 HA ASP B 39 10.131 -0.060 9.990 1.00 0.00 H new ATOM 0 HB2 ASP B 39 9.823 -0.634 12.318 1.00 0.00 H new ATOM 0 HB3 ASP B 39 11.410 0.084 12.121 1.00 0.00 H new ATOM 1768 N GLN B 40 8.190 2.361 10.264 1.00 0.00 N ATOM 1769 CA GLN B 40 6.824 2.820 10.052 1.00 0.00 C ATOM 1770 C GLN B 40 6.470 2.722 8.565 1.00 0.00 C ATOM 1771 O GLN B 40 5.311 2.872 8.170 1.00 0.00 O ATOM 1772 CB GLN B 40 6.688 4.267 10.541 1.00 0.00 C ATOM 1773 CG GLN B 40 5.323 4.881 10.282 1.00 0.00 C ATOM 1774 CD GLN B 40 5.264 6.348 10.645 1.00 0.00 C ATOM 1775 OE1 GLN B 40 4.900 6.708 11.765 1.00 0.00 O ATOM 1776 NE2 GLN B 40 5.626 7.199 9.699 1.00 0.00 N ATOM 0 H GLN B 40 8.898 3.079 10.110 1.00 0.00 H new ATOM 0 HA GLN B 40 6.135 2.191 10.616 1.00 0.00 H new ATOM 0 HB2 GLN B 40 6.892 4.299 11.611 1.00 0.00 H new ATOM 0 HB3 GLN B 40 7.448 4.877 10.053 1.00 0.00 H new ATOM 0 HG2 GLN B 40 5.069 4.761 9.229 1.00 0.00 H new ATOM 0 HG3 GLN B 40 4.571 4.339 10.855 1.00 0.00 H new ATOM 0 HE21 GLN B 40 5.920 6.852 8.786 1.00 0.00 H new ATOM 0 HE22 GLN B 40 5.611 8.202 9.883 1.00 0.00 H new ATOM 1785 N GLN B 41 7.478 2.452 7.746 1.00 0.00 N ATOM 1786 CA GLN B 41 7.307 2.432 6.300 1.00 0.00 C ATOM 1787 C GLN B 41 7.142 1.007 5.783 1.00 0.00 C ATOM 1788 O GLN B 41 7.768 0.079 6.295 1.00 0.00 O ATOM 1789 CB GLN B 41 8.518 3.049 5.611 1.00 0.00 C ATOM 1790 CG GLN B 41 8.976 4.370 6.189 1.00 0.00 C ATOM 1791 CD GLN B 41 10.276 4.824 5.563 1.00 0.00 C ATOM 1792 OE1 GLN B 41 10.555 4.522 4.407 1.00 0.00 O ATOM 1793 NE2 GLN B 41 11.086 5.543 6.319 1.00 0.00 N ATOM 0 H GLN B 41 8.426 2.243 8.060 1.00 0.00 H new ATOM 0 HA GLN B 41 6.409 3.008 6.075 1.00 0.00 H new ATOM 0 HB2 GLN B 41 9.345 2.341 5.660 1.00 0.00 H new ATOM 0 HB3 GLN B 41 8.284 3.192 4.556 1.00 0.00 H new ATOM 0 HG2 GLN B 41 8.208 5.126 6.026 1.00 0.00 H new ATOM 0 HG3 GLN B 41 9.104 4.273 7.267 1.00 0.00 H new ATOM 0 HE21 GLN B 41 10.819 5.774 7.276 1.00 0.00 H new ATOM 0 HE22 GLN B 41 11.978 5.867 5.946 1.00 0.00 H new ATOM 1802 N ARG B 42 6.305 0.843 4.765 1.00 0.00 N ATOM 1803 CA ARG B 42 6.166 -0.438 4.081 1.00 0.00 C ATOM 1804 C ARG B 42 6.235 -0.240 2.570 1.00 0.00 C ATOM 1805 O ARG B 42 5.475 0.547 2.004 1.00 0.00 O ATOM 1806 CB ARG B 42 4.846 -1.121 4.443 1.00 0.00 C ATOM 1807 CG ARG B 42 4.727 -1.510 5.904 1.00 0.00 C ATOM 1808 CD ARG B 42 3.442 -2.275 6.152 1.00 0.00 C ATOM 1809 NE ARG B 42 3.252 -2.616 7.559 1.00 0.00 N ATOM 1810 CZ ARG B 42 2.272 -3.405 7.999 1.00 0.00 C ATOM 1811 NH1 ARG B 42 1.495 -4.049 7.133 1.00 0.00 N ATOM 1812 NH2 ARG B 42 2.105 -3.596 9.302 1.00 0.00 N ATOM 0 H ARG B 42 5.710 1.584 4.394 1.00 0.00 H new ATOM 0 HA ARG B 42 6.988 -1.077 4.405 1.00 0.00 H new ATOM 0 HB2 ARG B 42 4.023 -0.454 4.188 1.00 0.00 H new ATOM 0 HB3 ARG B 42 4.733 -2.015 3.830 1.00 0.00 H new ATOM 0 HG2 ARG B 42 5.582 -2.121 6.193 1.00 0.00 H new ATOM 0 HG3 ARG B 42 4.750 -0.616 6.527 1.00 0.00 H new ATOM 0 HD2 ARG B 42 2.597 -1.678 5.810 1.00 0.00 H new ATOM 0 HD3 ARG B 42 3.448 -3.189 5.558 1.00 0.00 H new ATOM 0 HE ARG B 42 3.904 -2.230 8.242 1.00 0.00 H new ATOM 0 HH11 ARG B 42 1.649 -3.940 6.131 1.00 0.00 H new ATOM 0 HH12 ARG B 42 0.745 -4.652 7.471 1.00 0.00 H new ATOM 0 HH21 ARG B 42 2.727 -3.139 9.968 1.00 0.00 H new ATOM 0 HH22 ARG B 42 1.354 -4.200 9.637 1.00 0.00 H new ATOM 1826 N LEU B 43 7.151 -0.946 1.925 1.00 0.00 N ATOM 1827 CA LEU B 43 7.291 -0.883 0.475 1.00 0.00 C ATOM 1828 C LEU B 43 6.539 -2.035 -0.171 1.00 0.00 C ATOM 1829 O LEU B 43 6.743 -3.192 0.191 1.00 0.00 O ATOM 1830 CB LEU B 43 8.771 -0.944 0.076 1.00 0.00 C ATOM 1831 CG LEU B 43 9.611 0.266 0.491 1.00 0.00 C ATOM 1832 CD1 LEU B 43 11.089 -0.010 0.267 1.00 0.00 C ATOM 1833 CD2 LEU B 43 9.183 1.500 -0.287 1.00 0.00 C ATOM 0 H LEU B 43 7.812 -1.573 2.384 1.00 0.00 H new ATOM 0 HA LEU B 43 6.871 0.061 0.128 1.00 0.00 H new ATOM 0 HB2 LEU B 43 9.212 -1.839 0.515 1.00 0.00 H new ATOM 0 HB3 LEU B 43 8.834 -1.055 -1.006 1.00 0.00 H new ATOM 0 HG LEU B 43 9.449 0.449 1.553 1.00 0.00 H new ATOM 0 HD11 LEU B 43 11.671 0.861 0.567 1.00 0.00 H new ATOM 0 HD12 LEU B 43 11.392 -0.872 0.861 1.00 0.00 H new ATOM 0 HD13 LEU B 43 11.265 -0.217 -0.789 1.00 0.00 H new ATOM 0 HD21 LEU B 43 9.790 2.352 0.020 1.00 0.00 H new ATOM 0 HD22 LEU B 43 9.319 1.323 -1.354 1.00 0.00 H new ATOM 0 HD23 LEU B 43 8.133 1.711 -0.085 1.00 0.00 H new ATOM 1845 N ILE B 44 5.662 -1.729 -1.113 1.00 0.00 N ATOM 1846 CA ILE B 44 4.899 -2.765 -1.788 1.00 0.00 C ATOM 1847 C ILE B 44 5.227 -2.790 -3.277 1.00 0.00 C ATOM 1848 O ILE B 44 5.142 -1.766 -3.964 1.00 0.00 O ATOM 1849 CB ILE B 44 3.380 -2.572 -1.605 1.00 0.00 C ATOM 1850 CG1 ILE B 44 3.031 -2.440 -0.118 1.00 0.00 C ATOM 1851 CG2 ILE B 44 2.628 -3.743 -2.226 1.00 0.00 C ATOM 1852 CD1 ILE B 44 1.572 -2.134 0.141 1.00 0.00 C ATOM 0 H ILE B 44 5.462 -0.779 -1.426 1.00 0.00 H new ATOM 0 HA ILE B 44 5.182 -3.715 -1.334 1.00 0.00 H new ATOM 0 HB ILE B 44 3.080 -1.654 -2.110 1.00 0.00 H new ATOM 0 HG12 ILE B 44 3.294 -3.367 0.391 1.00 0.00 H new ATOM 0 HG13 ILE B 44 3.642 -1.651 0.321 1.00 0.00 H new ATOM 0 HG21 ILE B 44 1.556 -3.599 -2.092 1.00 0.00 H new ATOM 0 HG22 ILE B 44 2.857 -3.799 -3.290 1.00 0.00 H new ATOM 0 HG23 ILE B 44 2.933 -4.670 -1.740 1.00 0.00 H new ATOM 0 HD11 ILE B 44 1.402 -2.055 1.215 1.00 0.00 H new ATOM 0 HD12 ILE B 44 1.307 -1.192 -0.338 1.00 0.00 H new ATOM 0 HD13 ILE B 44 0.954 -2.934 -0.266 1.00 0.00 H new ATOM 1864 N PHE B 45 5.607 -3.960 -3.767 1.00 0.00 N ATOM 1865 CA PHE B 45 5.947 -4.134 -5.171 1.00 0.00 C ATOM 1866 C PHE B 45 5.194 -5.326 -5.754 1.00 0.00 C ATOM 1867 O PHE B 45 5.456 -6.472 -5.387 1.00 0.00 O ATOM 1868 CB PHE B 45 7.462 -4.325 -5.322 1.00 0.00 C ATOM 1869 CG PHE B 45 7.912 -4.579 -6.734 1.00 0.00 C ATOM 1870 CD1 PHE B 45 7.876 -3.571 -7.682 1.00 0.00 C ATOM 1871 CD2 PHE B 45 8.378 -5.829 -7.107 1.00 0.00 C ATOM 1872 CE1 PHE B 45 8.294 -3.808 -8.978 1.00 0.00 C ATOM 1873 CE2 PHE B 45 8.798 -6.070 -8.399 1.00 0.00 C ATOM 1874 CZ PHE B 45 8.757 -5.058 -9.337 1.00 0.00 C ATOM 0 H PHE B 45 5.688 -4.809 -3.208 1.00 0.00 H new ATOM 0 HA PHE B 45 5.651 -3.241 -5.721 1.00 0.00 H new ATOM 0 HB2 PHE B 45 7.969 -3.436 -4.945 1.00 0.00 H new ATOM 0 HB3 PHE B 45 7.776 -5.160 -4.696 1.00 0.00 H new ATOM 0 HD1 PHE B 45 7.518 -2.590 -7.406 1.00 0.00 H new ATOM 0 HD2 PHE B 45 8.413 -6.625 -6.378 1.00 0.00 H new ATOM 0 HE1 PHE B 45 8.258 -3.015 -9.710 1.00 0.00 H new ATOM 0 HE2 PHE B 45 9.159 -7.050 -8.676 1.00 0.00 H new ATOM 0 HZ PHE B 45 9.086 -5.244 -10.349 1.00 0.00 H new ATOM 1884 N ALA B 46 4.227 -5.038 -6.626 1.00 0.00 N ATOM 1885 CA ALA B 46 3.460 -6.070 -7.331 1.00 0.00 C ATOM 1886 C ALA B 46 2.659 -6.941 -6.362 1.00 0.00 C ATOM 1887 O ALA B 46 2.281 -8.070 -6.686 1.00 0.00 O ATOM 1888 CB ALA B 46 4.387 -6.923 -8.190 1.00 0.00 C ATOM 0 H ALA B 46 3.952 -4.085 -6.864 1.00 0.00 H new ATOM 0 HA ALA B 46 2.743 -5.568 -7.981 1.00 0.00 H new ATOM 0 HB1 ALA B 46 3.804 -7.685 -8.708 1.00 0.00 H new ATOM 0 HB2 ALA B 46 4.889 -6.290 -8.922 1.00 0.00 H new ATOM 0 HB3 ALA B 46 5.131 -7.404 -7.555 1.00 0.00 H new ATOM 1894 N GLY B 47 2.386 -6.402 -5.182 1.00 0.00 N ATOM 1895 CA GLY B 47 1.632 -7.139 -4.186 1.00 0.00 C ATOM 1896 C GLY B 47 2.518 -7.663 -3.076 1.00 0.00 C ATOM 1897 O GLY B 47 2.036 -8.057 -2.014 1.00 0.00 O ATOM 0 H GLY B 47 2.673 -5.466 -4.896 1.00 0.00 H new ATOM 0 HA2 GLY B 47 0.864 -6.493 -3.762 1.00 0.00 H new ATOM 0 HA3 GLY B 47 1.119 -7.973 -4.664 1.00 0.00 H new ATOM 1901 N LYS B 48 3.821 -7.670 -3.324 1.00 0.00 N ATOM 1902 CA LYS B 48 4.784 -8.116 -2.330 1.00 0.00 C ATOM 1903 C LYS B 48 5.097 -6.994 -1.357 1.00 0.00 C ATOM 1904 O LYS B 48 5.700 -5.986 -1.732 1.00 0.00 O ATOM 1905 CB LYS B 48 6.086 -8.580 -2.990 1.00 0.00 C ATOM 1906 CG LYS B 48 5.931 -9.766 -3.928 1.00 0.00 C ATOM 1907 CD LYS B 48 7.282 -10.198 -4.474 1.00 0.00 C ATOM 1908 CE LYS B 48 7.168 -11.412 -5.383 1.00 0.00 C ATOM 1909 NZ LYS B 48 6.423 -11.113 -6.635 1.00 0.00 N ATOM 0 H LYS B 48 4.234 -7.371 -4.207 1.00 0.00 H new ATOM 0 HA LYS B 48 4.339 -8.955 -1.795 1.00 0.00 H new ATOM 0 HB2 LYS B 48 6.513 -7.746 -3.547 1.00 0.00 H new ATOM 0 HB3 LYS B 48 6.801 -8.841 -2.210 1.00 0.00 H new ATOM 0 HG2 LYS B 48 5.465 -10.597 -3.398 1.00 0.00 H new ATOM 0 HG3 LYS B 48 5.268 -9.501 -4.752 1.00 0.00 H new ATOM 0 HD2 LYS B 48 7.730 -9.372 -5.027 1.00 0.00 H new ATOM 0 HD3 LYS B 48 7.951 -10.428 -3.645 1.00 0.00 H new ATOM 0 HE2 LYS B 48 8.166 -11.770 -5.634 1.00 0.00 H new ATOM 0 HE3 LYS B 48 6.666 -12.218 -4.848 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 6.444 -11.945 -7.259 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 5.436 -10.878 -6.404 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 6.867 -10.306 -7.119 1.00 0.00 H new ATOM 1923 N GLN B 49 4.674 -7.154 -0.113 1.00 0.00 N ATOM 1924 CA GLN B 49 5.042 -6.208 0.922 1.00 0.00 C ATOM 1925 C GLN B 49 6.438 -6.534 1.417 1.00 0.00 C ATOM 1926 O GLN B 49 6.666 -7.595 2.004 1.00 0.00 O ATOM 1927 CB GLN B 49 4.059 -6.237 2.095 1.00 0.00 C ATOM 1928 CG GLN B 49 4.362 -5.179 3.147 1.00 0.00 C ATOM 1929 CD GLN B 49 3.527 -5.330 4.402 1.00 0.00 C ATOM 1930 OE1 GLN B 49 2.434 -4.772 4.511 1.00 0.00 O ATOM 1931 NE2 GLN B 49 4.050 -6.070 5.365 1.00 0.00 N ATOM 0 H GLN B 49 4.081 -7.923 0.200 1.00 0.00 H new ATOM 0 HA GLN B 49 5.014 -5.206 0.494 1.00 0.00 H new ATOM 0 HB2 GLN B 49 3.047 -6.088 1.718 1.00 0.00 H new ATOM 0 HB3 GLN B 49 4.085 -7.223 2.560 1.00 0.00 H new ATOM 0 HG2 GLN B 49 5.418 -5.231 3.412 1.00 0.00 H new ATOM 0 HG3 GLN B 49 4.189 -4.191 2.720 1.00 0.00 H new ATOM 0 HE21 GLN B 49 4.959 -6.514 5.231 1.00 0.00 H new ATOM 0 HE22 GLN B 49 3.545 -6.197 6.242 1.00 0.00 H new ATOM 1940 N LEU B 50 7.371 -5.637 1.154 1.00 0.00 N ATOM 1941 CA LEU B 50 8.743 -5.819 1.586 1.00 0.00 C ATOM 1942 C LEU B 50 8.820 -5.698 3.099 1.00 0.00 C ATOM 1943 O LEU B 50 8.404 -4.685 3.667 1.00 0.00 O ATOM 1944 CB LEU B 50 9.657 -4.791 0.918 1.00 0.00 C ATOM 1945 CG LEU B 50 9.580 -4.754 -0.609 1.00 0.00 C ATOM 1946 CD1 LEU B 50 10.603 -3.786 -1.175 1.00 0.00 C ATOM 1947 CD2 LEU B 50 9.787 -6.141 -1.190 1.00 0.00 C ATOM 0 H LEU B 50 7.201 -4.772 0.641 1.00 0.00 H new ATOM 0 HA LEU B 50 9.080 -6.813 1.291 1.00 0.00 H new ATOM 0 HB2 LEU B 50 9.409 -3.802 1.303 1.00 0.00 H new ATOM 0 HB3 LEU B 50 10.686 -4.998 1.210 1.00 0.00 H new ATOM 0 HG LEU B 50 8.585 -4.407 -0.890 1.00 0.00 H new ATOM 0 HD11 LEU B 50 10.531 -3.775 -2.263 1.00 0.00 H new ATOM 0 HD12 LEU B 50 10.410 -2.785 -0.789 1.00 0.00 H new ATOM 0 HD13 LEU B 50 11.604 -4.101 -0.881 1.00 0.00 H new ATOM 0 HD21 LEU B 50 9.728 -6.092 -2.277 1.00 0.00 H new ATOM 0 HD22 LEU B 50 10.767 -6.516 -0.896 1.00 0.00 H new ATOM 0 HD23 LEU B 50 9.014 -6.812 -0.815 1.00 0.00 H new ATOM 1959 N GLU B 51 9.343 -6.734 3.740 1.00 0.00 N ATOM 1960 CA GLU B 51 9.348 -6.816 5.190 1.00 0.00 C ATOM 1961 C GLU B 51 10.290 -5.783 5.806 1.00 0.00 C ATOM 1962 O GLU B 51 9.864 -4.676 6.147 1.00 0.00 O ATOM 1963 CB GLU B 51 9.736 -8.230 5.623 1.00 0.00 C ATOM 1964 CG GLU B 51 8.809 -9.303 5.089 1.00 0.00 C ATOM 1965 CD GLU B 51 9.393 -10.689 5.245 1.00 0.00 C ATOM 1966 OE1 GLU B 51 10.163 -11.115 4.359 1.00 0.00 O ATOM 1967 OE2 GLU B 51 9.091 -11.355 6.257 1.00 0.00 O ATOM 0 H GLU B 51 9.771 -7.533 3.273 1.00 0.00 H new ATOM 0 HA GLU B 51 8.344 -6.593 5.551 1.00 0.00 H new ATOM 0 HB2 GLU B 51 10.752 -8.438 5.286 1.00 0.00 H new ATOM 0 HB3 GLU B 51 9.745 -8.278 6.712 1.00 0.00 H new ATOM 0 HG2 GLU B 51 7.855 -9.251 5.614 1.00 0.00 H new ATOM 0 HG3 GLU B 51 8.604 -9.113 4.035 1.00 0.00 H new ATOM 1974 N ASP B 52 11.572 -6.127 5.916 1.00 0.00 N ATOM 1975 CA ASP B 52 12.544 -5.245 6.551 1.00 0.00 C ATOM 1976 C ASP B 52 13.934 -5.867 6.524 1.00 0.00 C ATOM 1977 O ASP B 52 14.861 -5.302 5.946 1.00 0.00 O ATOM 1978 CB ASP B 52 12.138 -4.958 8.001 1.00 0.00 C ATOM 1979 CG ASP B 52 12.974 -3.873 8.642 1.00 0.00 C ATOM 1980 OD1 ASP B 52 12.608 -2.683 8.507 1.00 0.00 O ATOM 1981 OD2 ASP B 52 13.983 -4.204 9.301 1.00 0.00 O ATOM 0 H ASP B 52 11.959 -7.007 5.575 1.00 0.00 H new ATOM 0 HA ASP B 52 12.565 -4.309 5.993 1.00 0.00 H new ATOM 0 HB2 ASP B 52 11.089 -4.665 8.028 1.00 0.00 H new ATOM 0 HB3 ASP B 52 12.228 -5.873 8.586 1.00 0.00 H new ATOM 1986 N GLY B 53 14.060 -7.051 7.119 1.00 0.00 N ATOM 1987 CA GLY B 53 15.363 -7.682 7.262 1.00 0.00 C ATOM 1988 C GLY B 53 15.724 -8.585 6.099 1.00 0.00 C ATOM 1989 O GLY B 53 16.287 -9.661 6.295 1.00 0.00 O ATOM 0 H GLY B 53 13.282 -7.586 7.505 1.00 0.00 H new ATOM 0 HA2 GLY B 53 16.124 -6.908 7.362 1.00 0.00 H new ATOM 0 HA3 GLY B 53 15.378 -8.265 8.183 1.00 0.00 H new ATOM 1993 N ARG B 54 15.386 -8.158 4.892 1.00 0.00 N ATOM 1994 CA ARG B 54 15.750 -8.879 3.682 1.00 0.00 C ATOM 1995 C ARG B 54 16.310 -7.904 2.658 1.00 0.00 C ATOM 1996 O ARG B 54 16.206 -6.691 2.840 1.00 0.00 O ATOM 1997 CB ARG B 54 14.530 -9.596 3.102 1.00 0.00 C ATOM 1998 CG ARG B 54 13.953 -10.675 4.004 1.00 0.00 C ATOM 1999 CD ARG B 54 14.788 -11.950 3.976 1.00 0.00 C ATOM 2000 NE ARG B 54 16.106 -11.763 4.580 1.00 0.00 N ATOM 2001 CZ ARG B 54 17.099 -12.645 4.502 1.00 0.00 C ATOM 2002 NH1 ARG B 54 16.936 -13.779 3.828 1.00 0.00 N ATOM 2003 NH2 ARG B 54 18.261 -12.379 5.085 1.00 0.00 N ATOM 0 H ARG B 54 14.853 -7.305 4.724 1.00 0.00 H new ATOM 0 HA ARG B 54 16.507 -9.623 3.928 1.00 0.00 H new ATOM 0 HB2 ARG B 54 13.754 -8.859 2.894 1.00 0.00 H new ATOM 0 HB3 ARG B 54 14.806 -10.045 2.148 1.00 0.00 H new ATOM 0 HG2 ARG B 54 13.897 -10.301 5.026 1.00 0.00 H new ATOM 0 HG3 ARG B 54 12.934 -10.902 3.691 1.00 0.00 H new ATOM 0 HD2 ARG B 54 14.257 -12.741 4.505 1.00 0.00 H new ATOM 0 HD3 ARG B 54 14.907 -12.281 2.944 1.00 0.00 H new ATOM 0 HE ARG B 54 16.276 -10.899 5.095 1.00 0.00 H new ATOM 0 HH11 ARG B 54 16.047 -13.976 3.368 1.00 0.00 H new ATOM 0 HH12 ARG B 54 17.700 -14.452 3.771 1.00 0.00 H new ATOM 0 HH21 ARG B 54 18.389 -11.502 5.590 1.00 0.00 H new ATOM 0 HH22 ARG B 54 19.026 -13.052 5.028 1.00 0.00 H new ATOM 2017 N THR B 55 16.896 -8.424 1.595 1.00 0.00 N ATOM 2018 CA THR B 55 17.418 -7.579 0.535 1.00 0.00 C ATOM 2019 C THR B 55 16.479 -7.607 -0.666 1.00 0.00 C ATOM 2020 O THR B 55 15.526 -8.388 -0.702 1.00 0.00 O ATOM 2021 CB THR B 55 18.830 -8.022 0.095 1.00 0.00 C ATOM 2022 OG1 THR B 55 18.784 -9.331 -0.482 1.00 0.00 O ATOM 2023 CG2 THR B 55 19.791 -8.021 1.273 1.00 0.00 C ATOM 0 H THR B 55 17.023 -9.425 1.442 1.00 0.00 H new ATOM 0 HA THR B 55 17.487 -6.564 0.927 1.00 0.00 H new ATOM 0 HB THR B 55 19.187 -7.311 -0.650 1.00 0.00 H new ATOM 0 HG1 THR B 55 18.492 -9.977 0.195 1.00 0.00 H new ATOM 0 HG21 THR B 55 20.779 -8.337 0.937 1.00 0.00 H new ATOM 0 HG22 THR B 55 19.854 -7.016 1.691 1.00 0.00 H new ATOM 0 HG23 THR B 55 19.431 -8.710 2.037 1.00 0.00 H new ATOM 2031 N LEU B 56 16.747 -6.758 -1.645 1.00 0.00 N ATOM 2032 CA LEU B 56 15.931 -6.707 -2.852 1.00 0.00 C ATOM 2033 C LEU B 56 16.165 -7.951 -3.709 1.00 0.00 C ATOM 2034 O LEU B 56 15.313 -8.340 -4.512 1.00 0.00 O ATOM 2035 CB LEU B 56 16.241 -5.432 -3.644 1.00 0.00 C ATOM 2036 CG LEU B 56 16.062 -4.126 -2.858 1.00 0.00 C ATOM 2037 CD1 LEU B 56 16.475 -2.929 -3.696 1.00 0.00 C ATOM 2038 CD2 LEU B 56 14.623 -3.970 -2.394 1.00 0.00 C ATOM 0 H LEU B 56 17.522 -6.095 -1.630 1.00 0.00 H new ATOM 0 HA LEU B 56 14.880 -6.688 -2.565 1.00 0.00 H new ATOM 0 HB2 LEU B 56 17.269 -5.485 -4.003 1.00 0.00 H new ATOM 0 HB3 LEU B 56 15.597 -5.402 -4.523 1.00 0.00 H new ATOM 0 HG LEU B 56 16.707 -4.172 -1.981 1.00 0.00 H new ATOM 0 HD11 LEU B 56 16.339 -2.015 -3.117 1.00 0.00 H new ATOM 0 HD12 LEU B 56 17.523 -3.027 -3.979 1.00 0.00 H new ATOM 0 HD13 LEU B 56 15.860 -2.884 -4.595 1.00 0.00 H new ATOM 0 HD21 LEU B 56 14.519 -3.038 -1.839 1.00 0.00 H new ATOM 0 HD22 LEU B 56 13.961 -3.953 -3.260 1.00 0.00 H new ATOM 0 HD23 LEU B 56 14.356 -4.808 -1.750 1.00 0.00 H new ATOM 2050 N SER B 57 17.320 -8.582 -3.516 1.00 0.00 N ATOM 2051 CA SER B 57 17.656 -9.818 -4.198 1.00 0.00 C ATOM 2052 C SER B 57 16.754 -10.963 -3.732 1.00 0.00 C ATOM 2053 O SER B 57 16.439 -11.873 -4.501 1.00 0.00 O ATOM 2054 CB SER B 57 19.120 -10.166 -3.921 1.00 0.00 C ATOM 2055 OG SER B 57 19.978 -9.067 -4.193 1.00 0.00 O ATOM 0 H SER B 57 18.046 -8.247 -2.882 1.00 0.00 H new ATOM 0 HA SER B 57 17.504 -9.679 -5.268 1.00 0.00 H new ATOM 0 HB2 SER B 57 19.232 -10.467 -2.880 1.00 0.00 H new ATOM 0 HB3 SER B 57 19.414 -11.019 -4.533 1.00 0.00 H new ATOM 0 HG SER B 57 19.675 -8.608 -5.004 1.00 0.00 H new ATOM 2061 N ASP B 58 16.334 -10.904 -2.470 1.00 0.00 N ATOM 2062 CA ASP B 58 15.537 -11.973 -1.865 1.00 0.00 C ATOM 2063 C ASP B 58 14.160 -12.077 -2.506 1.00 0.00 C ATOM 2064 O ASP B 58 13.682 -13.172 -2.802 1.00 0.00 O ATOM 2065 CB ASP B 58 15.379 -11.746 -0.356 1.00 0.00 C ATOM 2066 CG ASP B 58 16.660 -11.982 0.416 1.00 0.00 C ATOM 2067 OD1 ASP B 58 17.013 -13.158 0.643 1.00 0.00 O ATOM 2068 OD2 ASP B 58 17.312 -10.992 0.814 1.00 0.00 O ATOM 0 H ASP B 58 16.533 -10.124 -1.843 1.00 0.00 H new ATOM 0 HA ASP B 58 16.071 -12.907 -2.037 1.00 0.00 H new ATOM 0 HB2 ASP B 58 15.039 -10.725 -0.182 1.00 0.00 H new ATOM 0 HB3 ASP B 58 14.604 -12.410 0.026 1.00 0.00 H new ATOM 2073 N TYR B 59 13.527 -10.934 -2.732 1.00 0.00 N ATOM 2074 CA TYR B 59 12.173 -10.909 -3.272 1.00 0.00 C ATOM 2075 C TYR B 59 12.185 -10.985 -4.794 1.00 0.00 C ATOM 2076 O TYR B 59 11.127 -11.032 -5.427 1.00 0.00 O ATOM 2077 CB TYR B 59 11.441 -9.641 -2.828 1.00 0.00 C ATOM 2078 CG TYR B 59 11.327 -9.486 -1.328 1.00 0.00 C ATOM 2079 CD1 TYR B 59 10.277 -10.067 -0.627 1.00 0.00 C ATOM 2080 CD2 TYR B 59 12.262 -8.750 -0.616 1.00 0.00 C ATOM 2081 CE1 TYR B 59 10.168 -9.919 0.743 1.00 0.00 C ATOM 2082 CE2 TYR B 59 12.159 -8.596 0.752 1.00 0.00 C ATOM 2083 CZ TYR B 59 11.110 -9.181 1.426 1.00 0.00 C ATOM 2084 OH TYR B 59 11.004 -9.026 2.789 1.00 0.00 O ATOM 0 H TYR B 59 13.927 -10.014 -2.551 1.00 0.00 H new ATOM 0 HA TYR B 59 11.648 -11.782 -2.884 1.00 0.00 H new ATOM 0 HB2 TYR B 59 11.961 -8.773 -3.233 1.00 0.00 H new ATOM 0 HB3 TYR B 59 10.440 -9.643 -3.259 1.00 0.00 H new ATOM 0 HD1 TYR B 59 9.535 -10.643 -1.161 1.00 0.00 H new ATOM 0 HD2 TYR B 59 13.086 -8.289 -1.141 1.00 0.00 H new ATOM 0 HE1 TYR B 59 9.349 -10.379 1.275 1.00 0.00 H new ATOM 0 HE2 TYR B 59 12.897 -8.020 1.291 1.00 0.00 H new ATOM 0 HH TYR B 59 10.692 -9.864 3.190 1.00 0.00 H new ATOM 2094 N ASN B 60 13.387 -11.009 -5.369 1.00 0.00 N ATOM 2095 CA ASN B 60 13.562 -10.991 -6.821 1.00 0.00 C ATOM 2096 C ASN B 60 12.950 -9.730 -7.414 1.00 0.00 C ATOM 2097 O ASN B 60 12.043 -9.794 -8.245 1.00 0.00 O ATOM 2098 CB ASN B 60 12.941 -12.231 -7.478 1.00 0.00 C ATOM 2099 CG ASN B 60 13.759 -13.492 -7.278 1.00 0.00 C ATOM 2100 OD1 ASN B 60 14.480 -13.639 -6.292 1.00 0.00 O ATOM 2101 ND2 ASN B 60 13.647 -14.416 -8.219 1.00 0.00 N ATOM 0 H ASN B 60 14.262 -11.041 -4.845 1.00 0.00 H new ATOM 0 HA ASN B 60 14.633 -11.000 -7.023 1.00 0.00 H new ATOM 0 HB2 ASN B 60 11.942 -12.387 -7.071 1.00 0.00 H new ATOM 0 HB3 ASN B 60 12.825 -12.048 -8.546 1.00 0.00 H new ATOM 0 HD21 ASN B 60 14.170 -15.289 -8.142 1.00 0.00 H new ATOM 0 HD22 ASN B 60 13.038 -14.256 -9.021 1.00 0.00 H new ATOM 2108 N ILE B 61 13.436 -8.582 -6.972 1.00 0.00 N ATOM 2109 CA ILE B 61 12.917 -7.312 -7.444 1.00 0.00 C ATOM 2110 C ILE B 61 13.730 -6.807 -8.629 1.00 0.00 C ATOM 2111 O ILE B 61 14.961 -6.740 -8.572 1.00 0.00 O ATOM 2112 CB ILE B 61 12.914 -6.256 -6.320 1.00 0.00 C ATOM 2113 CG1 ILE B 61 12.063 -6.749 -5.148 1.00 0.00 C ATOM 2114 CG2 ILE B 61 12.391 -4.919 -6.834 1.00 0.00 C ATOM 2115 CD1 ILE B 61 12.041 -5.802 -3.972 1.00 0.00 C ATOM 0 H ILE B 61 14.188 -8.505 -6.288 1.00 0.00 H new ATOM 0 HA ILE B 61 11.888 -7.475 -7.764 1.00 0.00 H new ATOM 0 HB ILE B 61 13.938 -6.107 -5.978 1.00 0.00 H new ATOM 0 HG12 ILE B 61 11.042 -6.908 -5.494 1.00 0.00 H new ATOM 0 HG13 ILE B 61 12.442 -7.716 -4.817 1.00 0.00 H new ATOM 0 HG21 ILE B 61 12.398 -4.190 -6.024 1.00 0.00 H new ATOM 0 HG22 ILE B 61 13.028 -4.567 -7.645 1.00 0.00 H new ATOM 0 HG23 ILE B 61 11.372 -5.044 -7.201 1.00 0.00 H new ATOM 0 HD11 ILE B 61 11.418 -6.219 -3.181 1.00 0.00 H new ATOM 0 HD12 ILE B 61 13.056 -5.661 -3.599 1.00 0.00 H new ATOM 0 HD13 ILE B 61 11.634 -4.841 -4.286 1.00 0.00 H new ATOM 2127 N GLN B 62 13.034 -6.479 -9.707 1.00 0.00 N ATOM 2128 CA GLN B 62 13.665 -5.930 -10.896 1.00 0.00 C ATOM 2129 C GLN B 62 14.204 -4.534 -10.603 1.00 0.00 C ATOM 2130 O GLN B 62 13.607 -3.783 -9.829 1.00 0.00 O ATOM 2131 CB GLN B 62 12.653 -5.853 -12.040 1.00 0.00 C ATOM 2132 CG GLN B 62 11.978 -7.179 -12.356 1.00 0.00 C ATOM 2133 CD GLN B 62 10.859 -7.038 -13.373 1.00 0.00 C ATOM 2134 OE1 GLN B 62 9.888 -7.790 -13.352 1.00 0.00 O ATOM 2135 NE2 GLN B 62 10.987 -6.072 -14.271 1.00 0.00 N ATOM 0 H GLN B 62 12.022 -6.585 -9.782 1.00 0.00 H new ATOM 0 HA GLN B 62 14.488 -6.582 -11.187 1.00 0.00 H new ATOM 0 HB2 GLN B 62 11.888 -5.119 -11.787 1.00 0.00 H new ATOM 0 HB3 GLN B 62 13.158 -5.491 -12.935 1.00 0.00 H new ATOM 0 HG2 GLN B 62 12.722 -7.880 -12.735 1.00 0.00 H new ATOM 0 HG3 GLN B 62 11.577 -7.606 -11.437 1.00 0.00 H new ATOM 0 HE21 GLN B 62 11.808 -5.467 -14.256 1.00 0.00 H new ATOM 0 HE22 GLN B 62 10.264 -5.933 -14.977 1.00 0.00 H new ATOM 2144 N LYS B 63 15.319 -4.184 -11.220 1.00 0.00 N ATOM 2145 CA LYS B 63 15.888 -2.859 -11.041 1.00 0.00 C ATOM 2146 C LYS B 63 15.099 -1.831 -11.840 1.00 0.00 C ATOM 2147 O LYS B 63 14.373 -2.185 -12.773 1.00 0.00 O ATOM 2148 CB LYS B 63 17.361 -2.830 -11.454 1.00 0.00 C ATOM 2149 CG LYS B 63 17.608 -3.114 -12.924 1.00 0.00 C ATOM 2150 CD LYS B 63 19.071 -2.908 -13.271 1.00 0.00 C ATOM 2151 CE LYS B 63 19.346 -3.164 -14.745 1.00 0.00 C ATOM 2152 NZ LYS B 63 18.618 -2.215 -15.631 1.00 0.00 N ATOM 0 H LYS B 63 15.846 -4.794 -11.845 1.00 0.00 H new ATOM 0 HA LYS B 63 15.827 -2.608 -9.982 1.00 0.00 H new ATOM 0 HB2 LYS B 63 17.774 -1.851 -11.212 1.00 0.00 H new ATOM 0 HB3 LYS B 63 17.907 -3.562 -10.859 1.00 0.00 H new ATOM 0 HG2 LYS B 63 17.315 -4.138 -13.156 1.00 0.00 H new ATOM 0 HG3 LYS B 63 16.988 -2.458 -13.535 1.00 0.00 H new ATOM 0 HD2 LYS B 63 19.364 -1.889 -13.019 1.00 0.00 H new ATOM 0 HD3 LYS B 63 19.685 -3.575 -12.666 1.00 0.00 H new ATOM 0 HE2 LYS B 63 20.417 -3.082 -14.932 1.00 0.00 H new ATOM 0 HE3 LYS B 63 19.056 -4.185 -14.994 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 18.987 -2.292 -16.600 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 17.604 -2.445 -15.628 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 18.754 -1.244 -15.285 1.00 0.00 H new ATOM 2166 N GLU B 64 15.243 -0.563 -11.459 1.00 0.00 N ATOM 2167 CA GLU B 64 14.569 0.548 -12.128 1.00 0.00 C ATOM 2168 C GLU B 64 13.051 0.352 -12.089 1.00 0.00 C ATOM 2169 O GLU B 64 12.341 0.681 -13.042 1.00 0.00 O ATOM 2170 CB GLU B 64 15.052 0.678 -13.579 1.00 0.00 C ATOM 2171 CG GLU B 64 16.553 0.485 -13.763 1.00 0.00 C ATOM 2172 CD GLU B 64 17.400 1.377 -12.877 1.00 0.00 C ATOM 2173 OE1 GLU B 64 17.643 2.542 -13.254 1.00 0.00 O ATOM 2174 OE2 GLU B 64 17.872 0.896 -11.821 1.00 0.00 O ATOM 0 H GLU B 64 15.831 -0.277 -10.676 1.00 0.00 H new ATOM 0 HA GLU B 64 14.816 1.468 -11.599 1.00 0.00 H new ATOM 0 HB2 GLU B 64 14.526 -0.055 -14.191 1.00 0.00 H new ATOM 0 HB3 GLU B 64 14.776 1.664 -13.954 1.00 0.00 H new ATOM 0 HG2 GLU B 64 16.803 -0.556 -13.559 1.00 0.00 H new ATOM 0 HG3 GLU B 64 16.809 0.676 -14.805 1.00 0.00 H new ATOM 2181 N SER B 65 12.561 -0.183 -10.980 1.00 0.00 N ATOM 2182 CA SER B 65 11.139 -0.451 -10.827 1.00 0.00 C ATOM 2183 C SER B 65 10.471 0.594 -9.942 1.00 0.00 C ATOM 2184 O SER B 65 11.129 1.254 -9.136 1.00 0.00 O ATOM 2185 CB SER B 65 10.924 -1.846 -10.240 1.00 0.00 C ATOM 2186 OG SER B 65 11.475 -2.837 -11.089 1.00 0.00 O ATOM 0 H SER B 65 13.128 -0.440 -10.172 1.00 0.00 H new ATOM 0 HA SER B 65 10.681 -0.402 -11.815 1.00 0.00 H new ATOM 0 HB2 SER B 65 11.386 -1.906 -9.255 1.00 0.00 H new ATOM 0 HB3 SER B 65 9.858 -2.028 -10.104 1.00 0.00 H new ATOM 0 HG SER B 65 12.015 -3.459 -10.558 1.00 0.00 H new ATOM 2192 N THR B 66 9.165 0.735 -10.100 1.00 0.00 N ATOM 2193 CA THR B 66 8.399 1.694 -9.327 1.00 0.00 C ATOM 2194 C THR B 66 7.645 1.000 -8.197 1.00 0.00 C ATOM 2195 O THR B 66 6.723 0.223 -8.436 1.00 0.00 O ATOM 2196 CB THR B 66 7.406 2.451 -10.226 1.00 0.00 C ATOM 2197 OG1 THR B 66 8.099 2.997 -11.358 1.00 0.00 O ATOM 2198 CG2 THR B 66 6.727 3.573 -9.456 1.00 0.00 C ATOM 0 H THR B 66 8.611 0.192 -10.763 1.00 0.00 H new ATOM 0 HA THR B 66 9.100 2.409 -8.896 1.00 0.00 H new ATOM 0 HB THR B 66 6.643 1.750 -10.564 1.00 0.00 H new ATOM 0 HG1 THR B 66 9.038 3.152 -11.123 1.00 0.00 H new ATOM 0 HG21 THR B 66 6.030 4.094 -10.112 1.00 0.00 H new ATOM 0 HG22 THR B 66 6.185 3.156 -8.608 1.00 0.00 H new ATOM 0 HG23 THR B 66 7.480 4.274 -9.096 1.00 0.00 H new ATOM 2206 N LEU B 67 8.041 1.283 -6.968 1.00 0.00 N ATOM 2207 CA LEU B 67 7.422 0.670 -5.805 1.00 0.00 C ATOM 2208 C LEU B 67 6.461 1.649 -5.148 1.00 0.00 C ATOM 2209 O LEU B 67 6.668 2.859 -5.202 1.00 0.00 O ATOM 2210 CB LEU B 67 8.482 0.226 -4.783 1.00 0.00 C ATOM 2211 CG LEU B 67 9.381 -0.945 -5.205 1.00 0.00 C ATOM 2212 CD1 LEU B 67 10.390 -0.517 -6.261 1.00 0.00 C ATOM 2213 CD2 LEU B 67 10.092 -1.526 -3.994 1.00 0.00 C ATOM 0 H LEU B 67 8.792 1.937 -6.749 1.00 0.00 H new ATOM 0 HA LEU B 67 6.874 -0.210 -6.141 1.00 0.00 H new ATOM 0 HB2 LEU B 67 9.118 1.081 -4.555 1.00 0.00 H new ATOM 0 HB3 LEU B 67 7.973 -0.048 -3.859 1.00 0.00 H new ATOM 0 HG LEU B 67 8.747 -1.715 -5.645 1.00 0.00 H new ATOM 0 HD11 LEU B 67 11.011 -1.369 -6.538 1.00 0.00 H new ATOM 0 HD12 LEU B 67 9.862 -0.151 -7.142 1.00 0.00 H new ATOM 0 HD13 LEU B 67 11.021 0.277 -5.861 1.00 0.00 H new ATOM 0 HD21 LEU B 67 10.726 -2.355 -4.308 1.00 0.00 H new ATOM 0 HD22 LEU B 67 10.706 -0.755 -3.528 1.00 0.00 H new ATOM 0 HD23 LEU B 67 9.354 -1.885 -3.276 1.00 0.00 H new ATOM 2225 N HIS B 68 5.406 1.131 -4.540 1.00 0.00 N ATOM 2226 CA HIS B 68 4.462 1.971 -3.816 1.00 0.00 C ATOM 2227 C HIS B 68 4.820 1.991 -2.336 1.00 0.00 C ATOM 2228 O HIS B 68 4.912 0.938 -1.702 1.00 0.00 O ATOM 2229 CB HIS B 68 3.023 1.473 -3.993 1.00 0.00 C ATOM 2230 CG HIS B 68 2.475 1.649 -5.378 1.00 0.00 C ATOM 2231 ND1 HIS B 68 1.699 2.726 -5.747 1.00 0.00 N ATOM 2232 CD2 HIS B 68 2.579 0.866 -6.479 1.00 0.00 C ATOM 2233 CE1 HIS B 68 1.346 2.598 -7.012 1.00 0.00 C ATOM 2234 NE2 HIS B 68 1.869 1.479 -7.479 1.00 0.00 N ATOM 0 H HIS B 68 5.181 0.136 -4.532 1.00 0.00 H new ATOM 0 HA HIS B 68 4.525 2.980 -4.224 1.00 0.00 H new ATOM 0 HB2 HIS B 68 2.982 0.416 -3.730 1.00 0.00 H new ATOM 0 HB3 HIS B 68 2.379 2.002 -3.290 1.00 0.00 H new ATOM 0 HD1 HIS B 68 1.438 3.501 -5.138 1.00 0.00 H new ATOM 0 HD2 HIS B 68 3.120 -0.066 -6.555 1.00 0.00 H new ATOM 0 HE1 HIS B 68 0.734 3.291 -7.570 1.00 0.00 H new ATOM 2243 N LEU B 69 5.037 3.179 -1.795 1.00 0.00 N ATOM 2244 CA LEU B 69 5.360 3.319 -0.383 1.00 0.00 C ATOM 2245 C LEU B 69 4.105 3.616 0.426 1.00 0.00 C ATOM 2246 O LEU B 69 3.420 4.616 0.192 1.00 0.00 O ATOM 2247 CB LEU B 69 6.402 4.424 -0.161 1.00 0.00 C ATOM 2248 CG LEU B 69 6.779 4.669 1.305 1.00 0.00 C ATOM 2249 CD1 LEU B 69 7.248 3.380 1.957 1.00 0.00 C ATOM 2250 CD2 LEU B 69 7.860 5.731 1.415 1.00 0.00 C ATOM 0 H LEU B 69 4.996 4.058 -2.310 1.00 0.00 H new ATOM 0 HA LEU B 69 5.784 2.374 -0.043 1.00 0.00 H new ATOM 0 HB2 LEU B 69 7.305 4.169 -0.716 1.00 0.00 H new ATOM 0 HB3 LEU B 69 6.020 5.354 -0.583 1.00 0.00 H new ATOM 0 HG LEU B 69 5.890 5.024 1.826 1.00 0.00 H new ATOM 0 HD11 LEU B 69 7.511 3.573 2.997 1.00 0.00 H new ATOM 0 HD12 LEU B 69 6.449 2.640 1.916 1.00 0.00 H new ATOM 0 HD13 LEU B 69 8.121 3.000 1.426 1.00 0.00 H new ATOM 0 HD21 LEU B 69 8.111 5.888 2.464 1.00 0.00 H new ATOM 0 HD22 LEU B 69 8.748 5.404 0.875 1.00 0.00 H new ATOM 0 HD23 LEU B 69 7.498 6.665 0.985 1.00 0.00 H new ATOM 2262 N VAL B 70 3.802 2.733 1.363 1.00 0.00 N ATOM 2263 CA VAL B 70 2.656 2.901 2.236 1.00 0.00 C ATOM 2264 C VAL B 70 3.114 3.004 3.684 1.00 0.00 C ATOM 2265 O VAL B 70 3.710 2.074 4.230 1.00 0.00 O ATOM 2266 CB VAL B 70 1.651 1.736 2.084 1.00 0.00 C ATOM 2267 CG1 VAL B 70 0.461 1.909 3.018 1.00 0.00 C ATOM 2268 CG2 VAL B 70 1.180 1.624 0.641 1.00 0.00 C ATOM 0 H VAL B 70 4.341 1.885 1.538 1.00 0.00 H new ATOM 0 HA VAL B 70 2.149 3.822 1.948 1.00 0.00 H new ATOM 0 HB VAL B 70 2.163 0.814 2.359 1.00 0.00 H new ATOM 0 HG11 VAL B 70 -0.228 1.074 2.888 1.00 0.00 H new ATOM 0 HG12 VAL B 70 0.810 1.934 4.050 1.00 0.00 H new ATOM 0 HG13 VAL B 70 -0.052 2.842 2.785 1.00 0.00 H new ATOM 0 HG21 VAL B 70 0.473 0.799 0.552 1.00 0.00 H new ATOM 0 HG22 VAL B 70 0.693 2.553 0.344 1.00 0.00 H new ATOM 0 HG23 VAL B 70 2.036 1.440 -0.008 1.00 0.00 H new ATOM 2278 N LEU B 71 2.862 4.152 4.287 1.00 0.00 N ATOM 2279 CA LEU B 71 3.214 4.380 5.675 1.00 0.00 C ATOM 2280 C LEU B 71 2.162 3.787 6.589 1.00 0.00 C ATOM 2281 O LEU B 71 0.982 3.799 6.269 1.00 0.00 O ATOM 2282 CB LEU B 71 3.366 5.869 5.955 1.00 0.00 C ATOM 2283 CG LEU B 71 4.729 6.460 5.610 1.00 0.00 C ATOM 2284 CD1 LEU B 71 4.968 6.465 4.107 1.00 0.00 C ATOM 2285 CD2 LEU B 71 4.827 7.856 6.175 1.00 0.00 C ATOM 0 H LEU B 71 2.411 4.946 3.832 1.00 0.00 H new ATOM 0 HA LEU B 71 4.169 3.891 5.869 1.00 0.00 H new ATOM 0 HB2 LEU B 71 2.602 6.407 5.394 1.00 0.00 H new ATOM 0 HB3 LEU B 71 3.169 6.045 7.012 1.00 0.00 H new ATOM 0 HG LEU B 71 5.504 5.836 6.056 1.00 0.00 H new ATOM 0 HD11 LEU B 71 5.948 6.893 3.896 1.00 0.00 H new ATOM 0 HD12 LEU B 71 4.929 5.443 3.729 1.00 0.00 H new ATOM 0 HD13 LEU B 71 4.199 7.063 3.618 1.00 0.00 H new ATOM 0 HD21 LEU B 71 5.801 8.280 5.930 1.00 0.00 H new ATOM 0 HD22 LEU B 71 4.041 8.478 5.746 1.00 0.00 H new ATOM 0 HD23 LEU B 71 4.710 7.819 7.258 1.00 0.00 H new ATOM 2297 N ARG B 72 2.597 3.251 7.715 1.00 0.00 N ATOM 2298 CA ARG B 72 1.677 2.683 8.687 1.00 0.00 C ATOM 2299 C ARG B 72 1.190 3.785 9.626 1.00 0.00 C ATOM 2300 O ARG B 72 0.096 3.701 10.184 1.00 0.00 O ATOM 2301 CB ARG B 72 2.375 1.562 9.472 1.00 0.00 C ATOM 2302 CG ARG B 72 1.436 0.471 9.978 1.00 0.00 C ATOM 2303 CD ARG B 72 0.538 0.967 11.099 1.00 0.00 C ATOM 2304 NE ARG B 72 -0.592 0.077 11.341 1.00 0.00 N ATOM 2305 CZ ARG B 72 -1.858 0.490 11.375 1.00 0.00 C ATOM 2306 NH1 ARG B 72 -2.146 1.772 11.143 1.00 0.00 N ATOM 2307 NH2 ARG B 72 -2.837 -0.373 11.628 1.00 0.00 N ATOM 0 H ARG B 72 3.580 3.196 7.980 1.00 0.00 H new ATOM 0 HA ARG B 72 0.816 2.254 8.175 1.00 0.00 H new ATOM 0 HB2 ARG B 72 3.133 1.106 8.835 1.00 0.00 H new ATOM 0 HB3 ARG B 72 2.896 2.000 10.323 1.00 0.00 H new ATOM 0 HG2 ARG B 72 0.821 0.111 9.153 1.00 0.00 H new ATOM 0 HG3 ARG B 72 2.023 -0.377 10.332 1.00 0.00 H new ATOM 0 HD2 ARG B 72 1.123 1.064 12.014 1.00 0.00 H new ATOM 0 HD3 ARG B 72 0.167 1.961 10.851 1.00 0.00 H new ATOM 0 HE ARG B 72 -0.403 -0.914 11.492 1.00 0.00 H new ATOM 0 HH11 ARG B 72 -1.397 2.434 10.940 1.00 0.00 H new ATOM 0 HH12 ARG B 72 -3.115 2.090 11.169 1.00 0.00 H new ATOM 0 HH21 ARG B 72 -2.620 -1.355 11.797 1.00 0.00 H new ATOM 0 HH22 ARG B 72 -3.805 -0.053 11.653 1.00 0.00 H new ATOM 2321 N LEU B 73 2.014 4.825 9.760 1.00 0.00 N ATOM 2322 CA LEU B 73 1.755 5.945 10.666 1.00 0.00 C ATOM 2323 C LEU B 73 1.537 5.476 12.102 1.00 0.00 C ATOM 2324 O LEU B 73 0.412 5.231 12.530 1.00 0.00 O ATOM 2325 CB LEU B 73 0.568 6.795 10.196 1.00 0.00 C ATOM 2326 CG LEU B 73 0.810 7.605 8.919 1.00 0.00 C ATOM 2327 CD1 LEU B 73 -0.362 8.535 8.648 1.00 0.00 C ATOM 2328 CD2 LEU B 73 2.103 8.400 9.025 1.00 0.00 C ATOM 0 H LEU B 73 2.886 4.915 9.239 1.00 0.00 H new ATOM 0 HA LEU B 73 2.648 6.570 10.647 1.00 0.00 H new ATOM 0 HB2 LEU B 73 -0.287 6.138 10.034 1.00 0.00 H new ATOM 0 HB3 LEU B 73 0.295 7.482 10.997 1.00 0.00 H new ATOM 0 HG LEU B 73 0.901 6.909 8.085 1.00 0.00 H new ATOM 0 HD11 LEU B 73 -0.173 9.103 7.737 1.00 0.00 H new ATOM 0 HD12 LEU B 73 -1.272 7.948 8.527 1.00 0.00 H new ATOM 0 HD13 LEU B 73 -0.482 9.222 9.485 1.00 0.00 H new ATOM 0 HD21 LEU B 73 2.257 8.969 8.108 1.00 0.00 H new ATOM 0 HD22 LEU B 73 2.041 9.085 9.870 1.00 0.00 H new ATOM 0 HD23 LEU B 73 2.939 7.717 9.173 1.00 0.00 H new