USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 676 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 46 HIS : no HD1:sc= -0.0164 K(o=-2.5,f=-3.3!) USER MOD Set 1.2: A 47 LYS NZ :NH3+ -178:sc= 0 (180deg=0) USER MOD Set 1.3: A 48 ASN : amide:sc= -2.11! X(o=-2.5!,f=-2.1) USER MOD Set 1.4: A 51 LYS NZ :NH3+ -157:sc= -0.361 (180deg=-0.685) USER MOD Set 2.1: A 42 CYS SG : rot -36:sc= -1.36 USER MOD Set 2.2: A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -133:sc= 0.444 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 136:sc= 0.866 (180deg=0.0752) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.97 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.00146 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -79:sc= 0.28 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.022 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00196) USER MOD Single : A 55 TYR OH : rot 180:sc= -0.0524 USER MOD Single : A 62 SER OG : rot 176:sc= -0.745 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= -1.3 K(o=-1.3,f=-0.094) USER MOD Single : A 66 ASN : amide:sc= -1.48 K(o=-1.5,f=-0.72) USER MOD Single : A 68 GLN : amide:sc= -1.05 K(o=-1.1,f=-7!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HE2:sc= -1.83 K(o=-1.8,f=-2.4!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.325 K(o=-0.32,f=-0.95) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 106 N LYS A 10 8.826 6.260 12.995 1.00 0.00 N ATOM 107 CA LYS A 10 7.425 5.981 13.289 1.00 0.00 C ATOM 108 C LYS A 10 6.976 4.686 12.620 1.00 0.00 C ATOM 109 O LYS A 10 7.647 4.173 11.724 1.00 0.00 O ATOM 110 CB LYS A 10 6.544 7.142 12.821 1.00 0.00 C ATOM 111 CG LYS A 10 5.125 7.084 13.361 1.00 0.00 C ATOM 112 CD LYS A 10 4.377 8.381 13.102 1.00 0.00 C ATOM 113 CE LYS A 10 3.007 8.375 13.762 1.00 0.00 C ATOM 114 NZ LYS A 10 2.068 9.323 13.101 1.00 0.00 N ATOM 0 HA LYS A 10 7.322 5.866 14.368 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.003 8.082 13.128 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.510 7.145 11.732 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.591 6.256 12.895 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.150 6.885 14.432 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.960 9.221 13.480 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.264 8.529 12.028 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.591 7.368 13.726 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.110 8.640 14.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.582 9.891 13.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.600 9.952 12.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.366 8.789 12.550 1.00 0.00 H new ATOM 128 N LEU A 11 5.837 4.163 13.059 1.00 0.00 N ATOM 129 CA LEU A 11 5.297 2.928 12.502 1.00 0.00 C ATOM 130 C LEU A 11 4.072 3.210 11.638 1.00 0.00 C ATOM 131 O LEU A 11 3.076 3.756 12.113 1.00 0.00 O ATOM 132 CB LEU A 11 4.930 1.956 13.624 1.00 0.00 C ATOM 133 CG LEU A 11 6.086 1.152 14.221 1.00 0.00 C ATOM 134 CD1 LEU A 11 6.883 0.467 13.122 1.00 0.00 C ATOM 135 CD2 LEU A 11 6.987 2.052 15.054 1.00 0.00 C ATOM 0 H LEU A 11 5.269 4.575 13.799 1.00 0.00 H new ATOM 0 HA LEU A 11 6.065 2.476 11.875 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.455 2.521 14.426 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.186 1.256 13.243 1.00 0.00 H new ATOM 0 HG LEU A 11 5.671 0.384 14.873 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.701 -0.100 13.566 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.232 -0.209 12.567 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.288 1.218 12.444 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.804 1.463 15.471 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.394 2.843 14.424 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.409 2.496 15.865 1.00 0.00 H new ATOM 147 N VAL A 12 4.152 2.833 10.365 1.00 0.00 N ATOM 148 CA VAL A 12 3.049 3.043 9.435 1.00 0.00 C ATOM 149 C VAL A 12 2.468 1.715 8.963 1.00 0.00 C ATOM 150 O VAL A 12 2.969 1.109 8.015 1.00 0.00 O ATOM 151 CB VAL A 12 3.496 3.860 8.209 1.00 0.00 C ATOM 152 CG1 VAL A 12 2.359 3.986 7.207 1.00 0.00 C ATOM 153 CG2 VAL A 12 3.995 5.232 8.637 1.00 0.00 C ATOM 0 H VAL A 12 4.969 2.381 9.955 1.00 0.00 H new ATOM 0 HA VAL A 12 2.283 3.601 9.974 1.00 0.00 H new ATOM 0 HB VAL A 12 4.318 3.334 7.724 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.694 4.567 6.348 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.053 2.993 6.877 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.514 4.489 7.677 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.307 5.796 7.758 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.194 5.768 9.147 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.842 5.116 9.313 1.00 0.00 H new ATOM 163 N ARG A 13 1.409 1.267 9.630 1.00 0.00 N ATOM 164 CA ARG A 13 0.760 0.010 9.278 1.00 0.00 C ATOM 165 C ARG A 13 -0.292 0.225 8.195 1.00 0.00 C ATOM 166 O ARG A 13 -1.102 1.149 8.278 1.00 0.00 O ATOM 167 CB ARG A 13 0.114 -0.618 10.515 1.00 0.00 C ATOM 168 CG ARG A 13 1.097 -0.896 11.641 1.00 0.00 C ATOM 169 CD ARG A 13 0.396 -0.961 12.988 1.00 0.00 C ATOM 170 NE ARG A 13 1.259 -0.510 14.077 1.00 0.00 N ATOM 171 CZ ARG A 13 1.016 -0.760 15.359 1.00 0.00 C ATOM 172 NH1 ARG A 13 -0.057 -1.454 15.711 1.00 0.00 N ATOM 173 NH2 ARG A 13 1.849 -0.316 16.291 1.00 0.00 N ATOM 0 H ARG A 13 0.982 1.756 10.417 1.00 0.00 H new ATOM 0 HA ARG A 13 1.521 -0.667 8.890 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.668 0.046 10.883 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.370 -1.552 10.228 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.612 -1.838 11.452 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.858 -0.116 11.663 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.503 -0.345 12.959 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.075 -1.985 13.180 1.00 0.00 H new ATOM 0 HE ARG A 13 2.094 0.026 13.840 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.699 -1.798 14.997 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.241 -1.644 16.696 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.676 0.217 16.023 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.662 -0.508 17.275 1.00 0.00 H new ATOM 187 N ILE A 14 -0.273 -0.632 7.180 1.00 0.00 N ATOM 188 CA ILE A 14 -1.226 -0.536 6.081 1.00 0.00 C ATOM 189 C ILE A 14 -2.152 -1.747 6.049 1.00 0.00 C ATOM 190 O ILE A 14 -1.696 -2.891 6.068 1.00 0.00 O ATOM 191 CB ILE A 14 -0.509 -0.415 4.724 1.00 0.00 C ATOM 192 CG1 ILE A 14 0.517 0.720 4.764 1.00 0.00 C ATOM 193 CG2 ILE A 14 -1.520 -0.183 3.610 1.00 0.00 C ATOM 194 CD1 ILE A 14 -0.107 2.096 4.832 1.00 0.00 C ATOM 0 H ILE A 14 0.392 -1.401 7.096 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.816 0.364 6.252 1.00 0.00 H new ATOM 0 HB ILE A 14 0.017 -1.348 4.523 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.167 0.581 5.628 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.148 0.660 3.878 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.998 -0.099 2.657 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.216 -1.021 3.570 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.070 0.738 3.804 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.679 2.851 4.858 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.734 2.255 3.955 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.716 2.175 5.733 1.00 0.00 H new ATOM 206 N TYR A 15 -3.454 -1.489 5.996 1.00 0.00 N ATOM 207 CA TYR A 15 -4.444 -2.558 5.961 1.00 0.00 C ATOM 208 C TYR A 15 -4.801 -2.923 4.523 1.00 0.00 C ATOM 209 O TYR A 15 -5.571 -2.222 3.864 1.00 0.00 O ATOM 210 CB TYR A 15 -5.704 -2.140 6.721 1.00 0.00 C ATOM 211 CG TYR A 15 -5.449 -1.784 8.168 1.00 0.00 C ATOM 212 CD1 TYR A 15 -5.223 -2.772 9.118 1.00 0.00 C ATOM 213 CD2 TYR A 15 -5.434 -0.459 8.586 1.00 0.00 C ATOM 214 CE1 TYR A 15 -4.989 -2.452 10.441 1.00 0.00 C ATOM 215 CE2 TYR A 15 -5.200 -0.129 9.906 1.00 0.00 C ATOM 216 CZ TYR A 15 -4.978 -1.129 10.830 1.00 0.00 C ATOM 217 OH TYR A 15 -4.746 -0.804 12.147 1.00 0.00 O ATOM 0 H TYR A 15 -3.848 -0.548 5.976 1.00 0.00 H new ATOM 0 HA TYR A 15 -4.012 -3.435 6.443 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -6.154 -1.283 6.219 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.430 -2.952 6.678 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.230 -3.809 8.817 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.608 0.327 7.866 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -4.816 -3.233 11.166 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.191 0.906 10.213 1.00 0.00 H new ATOM 0 HH TYR A 15 -4.771 0.170 12.253 1.00 0.00 H new ATOM 227 N THR A 16 -4.237 -4.026 4.042 1.00 0.00 N ATOM 228 CA THR A 16 -4.494 -4.485 2.683 1.00 0.00 C ATOM 229 C THR A 16 -5.970 -4.808 2.481 1.00 0.00 C ATOM 230 O THR A 16 -6.657 -5.228 3.412 1.00 0.00 O ATOM 231 CB THR A 16 -3.656 -5.733 2.343 1.00 0.00 C ATOM 232 OG1 THR A 16 -3.916 -6.146 0.997 1.00 0.00 O ATOM 233 CG2 THR A 16 -3.972 -6.873 3.300 1.00 0.00 C ATOM 0 H THR A 16 -3.599 -4.618 4.574 1.00 0.00 H new ATOM 0 HA THR A 16 -4.208 -3.672 2.016 1.00 0.00 H new ATOM 0 HB THR A 16 -2.602 -5.475 2.445 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.378 -6.938 0.788 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.369 -7.743 3.041 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.745 -6.565 4.321 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.029 -7.129 3.225 1.00 0.00 H new ATOM 241 N LYS A 17 -6.452 -4.610 1.259 1.00 0.00 N ATOM 242 CA LYS A 17 -7.847 -4.882 0.933 1.00 0.00 C ATOM 243 C LYS A 17 -7.959 -6.022 -0.074 1.00 0.00 C ATOM 244 O LYS A 17 -7.465 -5.939 -1.198 1.00 0.00 O ATOM 245 CB LYS A 17 -8.516 -3.625 0.373 1.00 0.00 C ATOM 246 CG LYS A 17 -10.024 -3.747 0.235 1.00 0.00 C ATOM 247 CD LYS A 17 -10.706 -2.394 0.346 1.00 0.00 C ATOM 248 CE LYS A 17 -12.161 -2.466 -0.090 1.00 0.00 C ATOM 249 NZ LYS A 17 -12.635 -1.173 -0.657 1.00 0.00 N ATOM 0 H LYS A 17 -5.897 -4.262 0.477 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.356 -5.180 1.850 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.286 -2.781 1.024 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.087 -3.400 -0.604 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.267 -4.200 -0.726 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.408 -4.413 1.007 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.651 -2.041 1.376 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.176 -1.667 -0.269 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.278 -3.254 -0.834 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.783 -2.738 0.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.187 -1.354 -1.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.233 -0.686 0.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.817 -0.575 -0.888 1.00 0.00 H new ATOM 263 N PRO A 18 -8.624 -7.112 0.337 1.00 0.00 N ATOM 264 CA PRO A 18 -8.818 -8.289 -0.516 1.00 0.00 C ATOM 265 C PRO A 18 -9.777 -8.017 -1.670 1.00 0.00 C ATOM 266 O PRO A 18 -10.954 -7.725 -1.457 1.00 0.00 O ATOM 267 CB PRO A 18 -9.412 -9.326 0.440 1.00 0.00 C ATOM 268 CG PRO A 18 -10.071 -8.523 1.508 1.00 0.00 C ATOM 269 CD PRO A 18 -9.239 -7.280 1.664 1.00 0.00 C ATOM 0 HA PRO A 18 -7.889 -8.608 -0.988 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -10.128 -9.970 -0.070 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.638 -9.974 0.852 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -11.096 -8.275 1.233 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -10.118 -9.081 2.443 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -9.850 -6.419 1.936 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.486 -7.396 2.444 1.00 0.00 H new ATOM 277 N LYS A 19 -9.267 -8.116 -2.893 1.00 0.00 N ATOM 278 CA LYS A 19 -10.079 -7.883 -4.082 1.00 0.00 C ATOM 279 C LYS A 19 -11.513 -8.356 -3.863 1.00 0.00 C ATOM 280 O LYS A 19 -11.770 -9.552 -3.738 1.00 0.00 O ATOM 281 CB LYS A 19 -9.472 -8.603 -5.288 1.00 0.00 C ATOM 282 CG LYS A 19 -8.681 -9.847 -4.919 1.00 0.00 C ATOM 283 CD LYS A 19 -7.204 -9.536 -4.743 1.00 0.00 C ATOM 284 CE LYS A 19 -6.562 -10.447 -3.708 1.00 0.00 C ATOM 285 NZ LYS A 19 -6.136 -11.745 -4.299 1.00 0.00 N ATOM 0 H LYS A 19 -8.295 -8.356 -3.087 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.094 -6.811 -4.277 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -10.271 -8.881 -5.975 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.819 -7.913 -5.822 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.077 -10.271 -3.996 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.805 -10.602 -5.695 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.691 -9.650 -5.698 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.084 -8.496 -4.439 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.698 -9.947 -3.270 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.268 -10.631 -2.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.703 -12.337 -3.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.964 -12.235 -4.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.443 -11.572 -5.054 1.00 0.00 H new ATOM 299 N GLY A 20 -12.444 -7.408 -3.819 1.00 0.00 N ATOM 300 CA GLY A 20 -13.840 -7.747 -3.617 1.00 0.00 C ATOM 301 C GLY A 20 -14.240 -7.711 -2.155 1.00 0.00 C ATOM 302 O GLY A 20 -15.161 -6.989 -1.776 1.00 0.00 O ATOM 0 H GLY A 20 -12.256 -6.411 -3.920 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.464 -7.052 -4.178 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -14.031 -8.742 -4.018 1.00 0.00 H new ATOM 306 N GLN A 21 -13.546 -8.493 -1.334 1.00 0.00 N ATOM 307 CA GLN A 21 -13.836 -8.549 0.094 1.00 0.00 C ATOM 308 C GLN A 21 -13.361 -7.281 0.796 1.00 0.00 C ATOM 309 O GLN A 21 -12.758 -6.404 0.175 1.00 0.00 O ATOM 310 CB GLN A 21 -13.172 -9.774 0.723 1.00 0.00 C ATOM 311 CG GLN A 21 -13.868 -11.084 0.387 1.00 0.00 C ATOM 312 CD GLN A 21 -13.054 -12.297 0.790 1.00 0.00 C ATOM 313 OE1 GLN A 21 -12.175 -12.213 1.648 1.00 0.00 O ATOM 314 NE2 GLN A 21 -13.344 -13.436 0.172 1.00 0.00 N ATOM 0 H GLN A 21 -12.780 -9.096 -1.633 1.00 0.00 H new ATOM 0 HA GLN A 21 -14.916 -8.627 0.217 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -12.136 -9.827 0.389 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -13.152 -9.650 1.806 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -14.835 -11.117 0.889 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -14.064 -11.122 -0.685 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -14.081 -13.460 -0.533 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -12.830 -14.286 0.402 1.00 0.00 H new ATOM 323 N LEU A 22 -13.636 -7.190 2.092 1.00 0.00 N ATOM 324 CA LEU A 22 -13.236 -6.029 2.879 1.00 0.00 C ATOM 325 C LEU A 22 -11.831 -6.212 3.445 1.00 0.00 C ATOM 326 O LEU A 22 -11.376 -7.328 3.693 1.00 0.00 O ATOM 327 CB LEU A 22 -14.230 -5.794 4.018 1.00 0.00 C ATOM 328 CG LEU A 22 -13.914 -6.493 5.341 1.00 0.00 C ATOM 329 CD1 LEU A 22 -12.891 -5.695 6.135 1.00 0.00 C ATOM 330 CD2 LEU A 22 -15.183 -6.695 6.154 1.00 0.00 C ATOM 0 H LEU A 22 -14.134 -7.906 2.620 1.00 0.00 H new ATOM 0 HA LEU A 22 -13.232 -5.159 2.222 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -14.293 -4.722 4.203 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -15.216 -6.118 3.685 1.00 0.00 H new ATOM 0 HG LEU A 22 -13.489 -7.472 5.120 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -12.678 -6.207 7.073 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.972 -5.603 5.556 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -13.288 -4.702 6.346 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -14.939 -7.194 7.092 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -15.638 -5.727 6.365 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -15.884 -7.309 5.588 1.00 0.00 H new ATOM 342 N PRO A 23 -11.128 -5.090 3.656 1.00 0.00 N ATOM 343 CA PRO A 23 -9.766 -5.100 4.198 1.00 0.00 C ATOM 344 C PRO A 23 -9.728 -5.516 5.664 1.00 0.00 C ATOM 345 O PRO A 23 -10.418 -4.936 6.502 1.00 0.00 O ATOM 346 CB PRO A 23 -9.312 -3.646 4.043 1.00 0.00 C ATOM 347 CG PRO A 23 -10.573 -2.853 4.040 1.00 0.00 C ATOM 348 CD PRO A 23 -11.608 -3.725 3.383 1.00 0.00 C ATOM 0 HA PRO A 23 -9.128 -5.818 3.683 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -8.658 -3.346 4.862 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -8.752 -3.503 3.119 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -10.871 -2.590 5.055 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -10.445 -1.919 3.493 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.600 -3.557 3.802 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.677 -3.530 2.313 1.00 0.00 H new ATOM 356 N ASP A 24 -8.917 -6.524 5.967 1.00 0.00 N ATOM 357 CA ASP A 24 -8.788 -7.017 7.333 1.00 0.00 C ATOM 358 C ASP A 24 -7.960 -6.057 8.182 1.00 0.00 C ATOM 359 O ASP A 24 -7.114 -5.328 7.664 1.00 0.00 O ATOM 360 CB ASP A 24 -8.146 -8.406 7.338 1.00 0.00 C ATOM 361 CG ASP A 24 -8.693 -9.300 6.243 1.00 0.00 C ATOM 362 OD1 ASP A 24 -9.930 -9.444 6.158 1.00 0.00 O ATOM 363 OD2 ASP A 24 -7.883 -9.857 5.472 1.00 0.00 O ATOM 0 H ASP A 24 -8.339 -7.015 5.285 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.787 -7.085 7.764 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.068 -8.305 7.216 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.314 -8.878 8.306 1.00 0.00 H new ATOM 368 N TYR A 25 -8.210 -6.063 9.486 1.00 0.00 N ATOM 369 CA TYR A 25 -7.490 -5.190 10.406 1.00 0.00 C ATOM 370 C TYR A 25 -6.922 -5.984 11.578 1.00 0.00 C ATOM 371 O TYR A 25 -6.659 -5.434 12.648 1.00 0.00 O ATOM 372 CB TYR A 25 -8.414 -4.086 10.923 1.00 0.00 C ATOM 373 CG TYR A 25 -9.337 -3.524 9.866 1.00 0.00 C ATOM 374 CD1 TYR A 25 -8.862 -3.206 8.599 1.00 0.00 C ATOM 375 CD2 TYR A 25 -10.684 -3.312 10.133 1.00 0.00 C ATOM 376 CE1 TYR A 25 -9.702 -2.692 7.630 1.00 0.00 C ATOM 377 CE2 TYR A 25 -11.531 -2.800 9.169 1.00 0.00 C ATOM 378 CZ TYR A 25 -11.035 -2.491 7.920 1.00 0.00 C ATOM 379 OH TYR A 25 -11.876 -1.979 6.958 1.00 0.00 O ATOM 0 H TYR A 25 -8.906 -6.662 9.930 1.00 0.00 H new ATOM 0 HA TYR A 25 -6.661 -4.736 9.863 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.013 -4.480 11.744 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.807 -3.277 11.331 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.819 -3.363 8.368 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -11.076 -3.551 11.111 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -9.317 -2.449 6.651 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -12.576 -2.643 9.392 1.00 0.00 H new ATOM 0 HH TYR A 25 -12.782 -1.900 7.324 1.00 0.00 H new ATOM 389 N THR A 26 -6.734 -7.283 11.369 1.00 0.00 N ATOM 390 CA THR A 26 -6.198 -8.155 12.407 1.00 0.00 C ATOM 391 C THR A 26 -4.683 -8.278 12.293 1.00 0.00 C ATOM 392 O THR A 26 -3.962 -8.122 13.278 1.00 0.00 O ATOM 393 CB THR A 26 -6.823 -9.561 12.337 1.00 0.00 C ATOM 394 OG1 THR A 26 -6.732 -10.072 11.003 1.00 0.00 O ATOM 395 CG2 THR A 26 -8.279 -9.528 12.775 1.00 0.00 C ATOM 0 H THR A 26 -6.945 -7.755 10.490 1.00 0.00 H new ATOM 0 HA THR A 26 -6.452 -7.700 13.365 1.00 0.00 H new ATOM 0 HB THR A 26 -6.271 -10.214 13.013 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.130 -10.967 10.968 1.00 0.00 H new ATOM 0 HG21 THR A 26 -8.699 -10.532 12.717 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.342 -9.167 13.801 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.841 -8.861 12.121 1.00 0.00 H new ATOM 403 N SER A 27 -4.206 -8.560 11.084 1.00 0.00 N ATOM 404 CA SER A 27 -2.776 -8.707 10.842 1.00 0.00 C ATOM 405 C SER A 27 -2.322 -7.806 9.697 1.00 0.00 C ATOM 406 O SER A 27 -2.036 -8.262 8.590 1.00 0.00 O ATOM 407 CB SER A 27 -2.439 -10.165 10.523 1.00 0.00 C ATOM 408 OG SER A 27 -1.040 -10.345 10.380 1.00 0.00 O ATOM 0 H SER A 27 -4.789 -8.691 10.258 1.00 0.00 H new ATOM 0 HA SER A 27 -2.247 -8.408 11.747 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.813 -10.810 11.318 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.943 -10.466 9.605 1.00 0.00 H new ATOM 0 HG SER A 27 -0.850 -11.285 10.178 1.00 0.00 H new ATOM 414 N PRO A 28 -2.256 -6.494 9.969 1.00 0.00 N ATOM 415 CA PRO A 28 -1.838 -5.500 8.976 1.00 0.00 C ATOM 416 C PRO A 28 -0.355 -5.605 8.639 1.00 0.00 C ATOM 417 O PRO A 28 0.368 -6.415 9.220 1.00 0.00 O ATOM 418 CB PRO A 28 -2.138 -4.165 9.662 1.00 0.00 C ATOM 419 CG PRO A 28 -2.086 -4.469 11.120 1.00 0.00 C ATOM 420 CD PRO A 28 -2.583 -5.880 11.267 1.00 0.00 C ATOM 0 HA PRO A 28 -2.355 -5.632 8.025 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.405 -3.406 9.389 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.116 -3.782 9.372 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.070 -4.371 11.503 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.708 -3.775 11.686 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.090 -6.396 12.091 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -3.654 -5.910 11.467 1.00 0.00 H new ATOM 428 N VAL A 29 0.093 -4.781 7.697 1.00 0.00 N ATOM 429 CA VAL A 29 1.492 -4.781 7.284 1.00 0.00 C ATOM 430 C VAL A 29 2.252 -3.622 7.919 1.00 0.00 C ATOM 431 O VAL A 29 1.974 -2.456 7.640 1.00 0.00 O ATOM 432 CB VAL A 29 1.624 -4.689 5.752 1.00 0.00 C ATOM 433 CG1 VAL A 29 0.938 -3.436 5.231 1.00 0.00 C ATOM 434 CG2 VAL A 29 3.089 -4.714 5.342 1.00 0.00 C ATOM 0 H VAL A 29 -0.492 -4.105 7.206 1.00 0.00 H new ATOM 0 HA VAL A 29 1.923 -5.723 7.623 1.00 0.00 H new ATOM 0 HB VAL A 29 1.131 -5.555 5.309 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.042 -3.388 4.147 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.120 -3.464 5.493 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.399 -2.556 5.679 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.164 -4.648 4.257 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.608 -3.868 5.794 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.546 -5.643 5.682 1.00 0.00 H new ATOM 444 N VAL A 30 3.214 -3.952 8.776 1.00 0.00 N ATOM 445 CA VAL A 30 4.016 -2.939 9.451 1.00 0.00 C ATOM 446 C VAL A 30 5.131 -2.428 8.545 1.00 0.00 C ATOM 447 O VAL A 30 6.133 -3.112 8.329 1.00 0.00 O ATOM 448 CB VAL A 30 4.635 -3.487 10.750 1.00 0.00 C ATOM 449 CG1 VAL A 30 5.459 -2.413 11.444 1.00 0.00 C ATOM 450 CG2 VAL A 30 3.550 -4.019 11.674 1.00 0.00 C ATOM 0 H VAL A 30 3.456 -4.913 9.019 1.00 0.00 H new ATOM 0 HA VAL A 30 3.345 -2.116 9.697 1.00 0.00 H new ATOM 0 HB VAL A 30 5.300 -4.312 10.495 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.888 -2.819 12.360 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.260 -2.085 10.782 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.820 -1.565 11.688 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.005 -4.402 12.587 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.858 -3.215 11.924 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.008 -4.822 11.174 1.00 0.00 H new ATOM 460 N LEU A 31 4.952 -1.222 8.018 1.00 0.00 N ATOM 461 CA LEU A 31 5.944 -0.618 7.135 1.00 0.00 C ATOM 462 C LEU A 31 6.682 0.515 7.840 1.00 0.00 C ATOM 463 O LEU A 31 6.111 1.261 8.636 1.00 0.00 O ATOM 464 CB LEU A 31 5.272 -0.092 5.866 1.00 0.00 C ATOM 465 CG LEU A 31 4.785 -1.151 4.876 1.00 0.00 C ATOM 466 CD1 LEU A 31 4.109 -0.494 3.682 1.00 0.00 C ATOM 467 CD2 LEU A 31 5.942 -2.028 4.421 1.00 0.00 C ATOM 0 H LEU A 31 4.129 -0.643 8.187 1.00 0.00 H new ATOM 0 HA LEU A 31 6.669 -1.386 6.864 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.420 0.523 6.158 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.975 0.562 5.351 1.00 0.00 H new ATOM 0 HG LEU A 31 4.053 -1.783 5.379 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.769 -1.263 2.988 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.255 0.090 4.024 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.819 0.162 3.178 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.577 -2.776 3.717 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.697 -1.410 3.935 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.382 -2.527 5.285 1.00 0.00 H new ATOM 479 N PRO A 32 7.983 0.650 7.542 1.00 0.00 N ATOM 480 CA PRO A 32 8.827 1.692 8.134 1.00 0.00 C ATOM 481 C PRO A 32 8.466 3.086 7.632 1.00 0.00 C ATOM 482 O PRO A 32 8.439 3.334 6.426 1.00 0.00 O ATOM 483 CB PRO A 32 10.237 1.308 7.679 1.00 0.00 C ATOM 484 CG PRO A 32 10.031 0.529 6.426 1.00 0.00 C ATOM 485 CD PRO A 32 8.730 -0.203 6.603 1.00 0.00 C ATOM 0 HA PRO A 32 8.713 1.742 9.217 1.00 0.00 H new ATOM 0 HB2 PRO A 32 10.850 2.192 7.500 1.00 0.00 H new ATOM 0 HB3 PRO A 32 10.749 0.713 8.435 1.00 0.00 H new ATOM 0 HG2 PRO A 32 9.993 1.188 5.559 1.00 0.00 H new ATOM 0 HG3 PRO A 32 10.852 -0.169 6.261 1.00 0.00 H new ATOM 0 HD2 PRO A 32 8.201 -0.317 5.657 1.00 0.00 H new ATOM 0 HD3 PRO A 32 8.884 -1.204 7.005 1.00 0.00 H new ATOM 493 N TYR A 33 8.191 3.992 8.563 1.00 0.00 N ATOM 494 CA TYR A 33 7.830 5.361 8.214 1.00 0.00 C ATOM 495 C TYR A 33 8.795 5.932 7.178 1.00 0.00 C ATOM 496 O TYR A 33 8.402 6.244 6.054 1.00 0.00 O ATOM 497 CB TYR A 33 7.826 6.244 9.463 1.00 0.00 C ATOM 498 CG TYR A 33 7.224 7.612 9.235 1.00 0.00 C ATOM 499 CD1 TYR A 33 7.970 8.634 8.660 1.00 0.00 C ATOM 500 CD2 TYR A 33 5.909 7.884 9.595 1.00 0.00 C ATOM 501 CE1 TYR A 33 7.424 9.886 8.451 1.00 0.00 C ATOM 502 CE2 TYR A 33 5.355 9.132 9.388 1.00 0.00 C ATOM 503 CZ TYR A 33 6.117 10.130 8.816 1.00 0.00 C ATOM 504 OH TYR A 33 5.569 11.375 8.608 1.00 0.00 O ATOM 0 H TYR A 33 8.211 3.803 9.565 1.00 0.00 H new ATOM 0 HA TYR A 33 6.829 5.347 7.783 1.00 0.00 H new ATOM 0 HB2 TYR A 33 7.270 5.739 10.253 1.00 0.00 H new ATOM 0 HB3 TYR A 33 8.850 6.361 9.818 1.00 0.00 H new ATOM 0 HD1 TYR A 33 8.994 8.446 8.372 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.310 7.106 10.044 1.00 0.00 H new ATOM 0 HE1 TYR A 33 8.018 10.669 8.004 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.331 9.326 9.672 1.00 0.00 H new ATOM 0 HH TYR A 33 4.640 11.380 8.920 1.00 0.00 H new ATOM 514 N SER A 34 10.059 6.064 7.566 1.00 0.00 N ATOM 515 CA SER A 34 11.080 6.600 6.674 1.00 0.00 C ATOM 516 C SER A 34 10.816 6.179 5.231 1.00 0.00 C ATOM 517 O SER A 34 11.072 6.937 4.295 1.00 0.00 O ATOM 518 CB SER A 34 12.468 6.126 7.110 1.00 0.00 C ATOM 519 OG SER A 34 13.033 7.009 8.062 1.00 0.00 O ATOM 0 H SER A 34 10.401 5.807 8.492 1.00 0.00 H new ATOM 0 HA SER A 34 11.041 7.688 6.730 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.397 5.125 7.535 1.00 0.00 H new ATOM 0 HB3 SER A 34 13.122 6.057 6.241 1.00 0.00 H new ATOM 0 HG SER A 34 13.919 6.683 8.325 1.00 0.00 H new ATOM 525 N ARG A 35 10.303 4.965 5.061 1.00 0.00 N ATOM 526 CA ARG A 35 10.004 4.442 3.733 1.00 0.00 C ATOM 527 C ARG A 35 8.541 4.023 3.630 1.00 0.00 C ATOM 528 O ARG A 35 8.176 2.903 3.991 1.00 0.00 O ATOM 529 CB ARG A 35 10.910 3.251 3.416 1.00 0.00 C ATOM 530 CG ARG A 35 12.392 3.588 3.445 1.00 0.00 C ATOM 531 CD ARG A 35 12.887 4.044 2.081 1.00 0.00 C ATOM 532 NE ARG A 35 14.199 4.680 2.159 1.00 0.00 N ATOM 533 CZ ARG A 35 14.406 5.873 2.706 1.00 0.00 C ATOM 534 NH1 ARG A 35 13.392 6.555 3.221 1.00 0.00 N ATOM 535 NH2 ARG A 35 15.630 6.385 2.740 1.00 0.00 N ATOM 0 H ARG A 35 10.086 4.325 5.825 1.00 0.00 H new ATOM 0 HA ARG A 35 10.189 5.234 3.008 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.713 2.455 4.134 1.00 0.00 H new ATOM 0 HB3 ARG A 35 10.654 2.863 2.430 1.00 0.00 H new ATOM 0 HG2 ARG A 35 12.573 4.372 4.180 1.00 0.00 H new ATOM 0 HG3 ARG A 35 12.959 2.714 3.765 1.00 0.00 H new ATOM 0 HD2 ARG A 35 12.939 3.187 1.409 1.00 0.00 H new ATOM 0 HD3 ARG A 35 12.170 4.743 1.651 1.00 0.00 H new ATOM 0 HE ARG A 35 15.000 4.181 1.772 1.00 0.00 H new ATOM 0 HH11 ARG A 35 12.450 6.164 3.198 1.00 0.00 H new ATOM 0 HH12 ARG A 35 13.554 7.471 3.640 1.00 0.00 H new ATOM 0 HH21 ARG A 35 16.412 5.863 2.346 1.00 0.00 H new ATOM 0 HH22 ARG A 35 15.788 7.301 3.160 1.00 0.00 H new ATOM 549 N THR A 36 7.704 4.930 3.134 1.00 0.00 N ATOM 550 CA THR A 36 6.281 4.656 2.985 1.00 0.00 C ATOM 551 C THR A 36 5.793 5.026 1.589 1.00 0.00 C ATOM 552 O THR A 36 5.742 6.203 1.229 1.00 0.00 O ATOM 553 CB THR A 36 5.448 5.426 4.028 1.00 0.00 C ATOM 554 OG1 THR A 36 5.985 6.741 4.210 1.00 0.00 O ATOM 555 CG2 THR A 36 5.434 4.690 5.359 1.00 0.00 C ATOM 0 H THR A 36 7.988 5.861 2.829 1.00 0.00 H new ATOM 0 HA THR A 36 6.147 3.586 3.142 1.00 0.00 H new ATOM 0 HB THR A 36 4.424 5.500 3.661 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.771 6.695 4.793 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.840 5.252 6.079 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.998 3.700 5.223 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.454 4.589 5.730 1.00 0.00 H new ATOM 563 N THR A 37 5.435 4.014 0.805 1.00 0.00 N ATOM 564 CA THR A 37 4.951 4.233 -0.553 1.00 0.00 C ATOM 565 C THR A 37 4.228 3.002 -1.084 1.00 0.00 C ATOM 566 O THR A 37 4.437 1.889 -0.600 1.00 0.00 O ATOM 567 CB THR A 37 6.105 4.590 -1.509 1.00 0.00 C ATOM 568 OG1 THR A 37 7.312 3.950 -1.080 1.00 0.00 O ATOM 569 CG2 THR A 37 6.315 6.095 -1.566 1.00 0.00 C ATOM 0 H THR A 37 5.471 3.034 1.087 1.00 0.00 H new ATOM 0 HA THR A 37 4.253 5.069 -0.509 1.00 0.00 H new ATOM 0 HB THR A 37 5.843 4.238 -2.507 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.040 4.180 -1.694 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.135 6.322 -2.247 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.404 6.576 -1.921 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.557 6.467 -0.570 1.00 0.00 H new ATOM 577 N VAL A 38 3.375 3.207 -2.084 1.00 0.00 N ATOM 578 CA VAL A 38 2.622 2.111 -2.682 1.00 0.00 C ATOM 579 C VAL A 38 3.546 0.975 -3.104 1.00 0.00 C ATOM 580 O VAL A 38 3.196 -0.199 -2.985 1.00 0.00 O ATOM 581 CB VAL A 38 1.819 2.587 -3.908 1.00 0.00 C ATOM 582 CG1 VAL A 38 1.393 1.402 -4.760 1.00 0.00 C ATOM 583 CG2 VAL A 38 0.610 3.400 -3.469 1.00 0.00 C ATOM 0 H VAL A 38 3.189 4.121 -2.496 1.00 0.00 H new ATOM 0 HA VAL A 38 1.931 1.749 -1.921 1.00 0.00 H new ATOM 0 HB VAL A 38 2.459 3.228 -4.514 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.827 1.758 -5.621 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.277 0.864 -5.104 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.769 0.733 -4.167 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.054 3.728 -4.347 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.034 2.784 -2.841 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.943 4.271 -2.904 1.00 0.00 H new ATOM 593 N GLU A 39 4.727 1.332 -3.598 1.00 0.00 N ATOM 594 CA GLU A 39 5.702 0.341 -4.038 1.00 0.00 C ATOM 595 C GLU A 39 6.339 -0.363 -2.844 1.00 0.00 C ATOM 596 O GLU A 39 6.823 -1.490 -2.959 1.00 0.00 O ATOM 597 CB GLU A 39 6.786 1.002 -4.892 1.00 0.00 C ATOM 598 CG GLU A 39 7.670 1.963 -4.116 1.00 0.00 C ATOM 599 CD GLU A 39 8.275 3.040 -4.996 1.00 0.00 C ATOM 600 OE1 GLU A 39 8.463 2.782 -6.204 1.00 0.00 O ATOM 601 OE2 GLU A 39 8.561 4.139 -4.478 1.00 0.00 O ATOM 0 H GLU A 39 5.032 2.300 -3.704 1.00 0.00 H new ATOM 0 HA GLU A 39 5.179 -0.402 -4.640 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.410 0.226 -5.337 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.312 1.540 -5.713 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.084 2.432 -3.325 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.470 1.404 -3.631 1.00 0.00 H new ATOM 608 N ASP A 40 6.337 0.309 -1.698 1.00 0.00 N ATOM 609 CA ASP A 40 6.914 -0.251 -0.481 1.00 0.00 C ATOM 610 C ASP A 40 6.048 -1.385 0.059 1.00 0.00 C ATOM 611 O ASP A 40 6.548 -2.313 0.695 1.00 0.00 O ATOM 612 CB ASP A 40 7.072 0.837 0.581 1.00 0.00 C ATOM 613 CG ASP A 40 7.970 0.405 1.724 1.00 0.00 C ATOM 614 OD1 ASP A 40 9.206 0.431 1.548 1.00 0.00 O ATOM 615 OD2 ASP A 40 7.437 0.041 2.793 1.00 0.00 O ATOM 0 H ASP A 40 5.942 1.243 -1.586 1.00 0.00 H new ATOM 0 HA ASP A 40 7.897 -0.654 -0.726 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.483 1.734 0.119 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.091 1.102 0.974 1.00 0.00 H new ATOM 620 N PHE A 41 4.747 -1.303 -0.198 1.00 0.00 N ATOM 621 CA PHE A 41 3.811 -2.321 0.265 1.00 0.00 C ATOM 622 C PHE A 41 3.807 -3.523 -0.675 1.00 0.00 C ATOM 623 O PHE A 41 3.934 -4.667 -0.238 1.00 0.00 O ATOM 624 CB PHE A 41 2.400 -1.737 0.370 1.00 0.00 C ATOM 625 CG PHE A 41 1.327 -2.781 0.488 1.00 0.00 C ATOM 626 CD1 PHE A 41 0.876 -3.460 -0.632 1.00 0.00 C ATOM 627 CD2 PHE A 41 0.768 -3.083 1.720 1.00 0.00 C ATOM 628 CE1 PHE A 41 -0.111 -4.422 -0.526 1.00 0.00 C ATOM 629 CE2 PHE A 41 -0.219 -4.043 1.832 1.00 0.00 C ATOM 630 CZ PHE A 41 -0.660 -4.713 0.707 1.00 0.00 C ATOM 0 H PHE A 41 4.317 -0.542 -0.724 1.00 0.00 H new ATOM 0 HA PHE A 41 4.133 -2.654 1.252 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.352 -1.078 1.237 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.203 -1.123 -0.509 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.300 -3.235 -1.599 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.108 -2.562 2.603 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.452 -4.945 -1.407 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.646 -4.270 2.798 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.433 -5.463 0.792 1.00 0.00 H new ATOM 640 N CYS A 42 3.659 -3.255 -1.968 1.00 0.00 N ATOM 641 CA CYS A 42 3.637 -4.314 -2.971 1.00 0.00 C ATOM 642 C CYS A 42 4.795 -5.285 -2.762 1.00 0.00 C ATOM 643 O CYS A 42 4.639 -6.495 -2.923 1.00 0.00 O ATOM 644 CB CYS A 42 3.705 -3.715 -4.377 1.00 0.00 C ATOM 645 SG CYS A 42 5.358 -3.174 -4.870 1.00 0.00 S ATOM 0 H CYS A 42 3.552 -2.314 -2.346 1.00 0.00 H new ATOM 0 HA CYS A 42 2.702 -4.864 -2.863 1.00 0.00 H new ATOM 0 HB2 CYS A 42 3.348 -4.455 -5.093 1.00 0.00 H new ATOM 0 HB3 CYS A 42 3.025 -2.865 -4.431 1.00 0.00 H new ATOM 0 HG CYS A 42 5.979 -2.682 -3.839 1.00 0.00 H new ATOM 651 N MET A 43 5.956 -4.745 -2.405 1.00 0.00 N ATOM 652 CA MET A 43 7.140 -5.564 -2.175 1.00 0.00 C ATOM 653 C MET A 43 6.896 -6.570 -1.054 1.00 0.00 C ATOM 654 O MET A 43 7.252 -7.743 -1.170 1.00 0.00 O ATOM 655 CB MET A 43 8.339 -4.679 -1.831 1.00 0.00 C ATOM 656 CG MET A 43 8.845 -3.857 -3.005 1.00 0.00 C ATOM 657 SD MET A 43 9.886 -4.812 -4.125 1.00 0.00 S ATOM 658 CE MET A 43 9.054 -4.528 -5.685 1.00 0.00 C ATOM 0 H MET A 43 6.102 -3.745 -2.269 1.00 0.00 H new ATOM 0 HA MET A 43 7.355 -6.114 -3.091 1.00 0.00 H new ATOM 0 HB2 MET A 43 8.062 -4.006 -1.019 1.00 0.00 H new ATOM 0 HB3 MET A 43 9.150 -5.307 -1.462 1.00 0.00 H new ATOM 0 HG2 MET A 43 7.994 -3.458 -3.557 1.00 0.00 H new ATOM 0 HG3 MET A 43 9.410 -3.004 -2.629 1.00 0.00 H new ATOM 0 HE1 MET A 43 9.581 -5.056 -6.480 1.00 0.00 H new ATOM 0 HE2 MET A 43 8.029 -4.895 -5.623 1.00 0.00 H new ATOM 0 HE3 MET A 43 9.044 -3.460 -5.903 1.00 0.00 H new ATOM 668 N LYS A 44 6.288 -6.103 0.031 1.00 0.00 N ATOM 669 CA LYS A 44 5.996 -6.961 1.173 1.00 0.00 C ATOM 670 C LYS A 44 5.237 -8.210 0.736 1.00 0.00 C ATOM 671 O LYS A 44 5.461 -9.300 1.263 1.00 0.00 O ATOM 672 CB LYS A 44 5.179 -6.195 2.217 1.00 0.00 C ATOM 673 CG LYS A 44 6.032 -5.455 3.233 1.00 0.00 C ATOM 674 CD LYS A 44 6.525 -6.384 4.329 1.00 0.00 C ATOM 675 CE LYS A 44 6.711 -5.644 5.645 1.00 0.00 C ATOM 676 NZ LYS A 44 7.632 -6.369 6.564 1.00 0.00 N ATOM 0 H LYS A 44 5.988 -5.135 0.144 1.00 0.00 H new ATOM 0 HA LYS A 44 6.943 -7.269 1.615 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.533 -5.480 1.708 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.528 -6.895 2.742 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.885 -4.999 2.730 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.452 -4.645 3.675 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.813 -7.198 4.465 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.470 -6.835 4.027 1.00 0.00 H new ATOM 0 HE2 LYS A 44 7.105 -4.647 5.448 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.743 -5.515 6.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.732 -5.832 7.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.244 -7.311 6.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.564 -6.470 6.113 1.00 0.00 H new ATOM 690 N ILE A 45 4.341 -8.044 -0.231 1.00 0.00 N ATOM 691 CA ILE A 45 3.552 -9.158 -0.741 1.00 0.00 C ATOM 692 C ILE A 45 4.327 -9.945 -1.792 1.00 0.00 C ATOM 693 O ILE A 45 4.660 -11.113 -1.588 1.00 0.00 O ATOM 694 CB ILE A 45 2.224 -8.675 -1.353 1.00 0.00 C ATOM 695 CG1 ILE A 45 1.459 -7.810 -0.349 1.00 0.00 C ATOM 696 CG2 ILE A 45 1.379 -9.862 -1.790 1.00 0.00 C ATOM 697 CD1 ILE A 45 1.397 -8.408 1.039 1.00 0.00 C ATOM 0 H ILE A 45 4.143 -7.148 -0.677 1.00 0.00 H new ATOM 0 HA ILE A 45 3.336 -9.806 0.109 1.00 0.00 H new ATOM 0 HB ILE A 45 2.445 -8.069 -2.231 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.931 -6.829 -0.293 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.444 -7.655 -0.715 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.444 -9.504 -2.220 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.923 -10.441 -2.536 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.164 -10.492 -0.927 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.840 -7.742 1.698 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.898 -9.376 0.996 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.408 -8.538 1.425 1.00 0.00 H new ATOM 709 N HIS A 46 4.612 -9.297 -2.917 1.00 0.00 N ATOM 710 CA HIS A 46 5.351 -9.936 -4.001 1.00 0.00 C ATOM 711 C HIS A 46 6.263 -8.933 -4.701 1.00 0.00 C ATOM 712 O HIS A 46 5.830 -7.847 -5.087 1.00 0.00 O ATOM 713 CB HIS A 46 4.384 -10.554 -5.010 1.00 0.00 C ATOM 714 CG HIS A 46 4.936 -11.758 -5.709 1.00 0.00 C ATOM 715 ND1 HIS A 46 5.514 -11.704 -6.960 1.00 0.00 N ATOM 716 CD2 HIS A 46 4.998 -13.055 -5.324 1.00 0.00 C ATOM 717 CE1 HIS A 46 5.906 -12.914 -7.314 1.00 0.00 C ATOM 718 NE2 HIS A 46 5.605 -13.752 -6.339 1.00 0.00 N ATOM 0 H HIS A 46 4.343 -8.331 -3.102 1.00 0.00 H new ATOM 0 HA HIS A 46 5.969 -10.725 -3.572 1.00 0.00 H new ATOM 0 HB2 HIS A 46 3.464 -10.833 -4.496 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.118 -9.802 -5.753 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.637 -13.465 -4.392 1.00 0.00 H new ATOM 0 HE1 HIS A 46 6.391 -13.174 -8.243 1.00 0.00 H new ATOM 0 HE2 HIS A 46 5.793 -14.755 -6.340 1.00 0.00 H new ATOM 727 N LYS A 47 7.529 -9.303 -4.861 1.00 0.00 N ATOM 728 CA LYS A 47 8.503 -8.438 -5.514 1.00 0.00 C ATOM 729 C LYS A 47 8.154 -8.239 -6.986 1.00 0.00 C ATOM 730 O LYS A 47 8.609 -7.287 -7.618 1.00 0.00 O ATOM 731 CB LYS A 47 9.909 -9.031 -5.389 1.00 0.00 C ATOM 732 CG LYS A 47 10.075 -10.358 -6.109 1.00 0.00 C ATOM 733 CD LYS A 47 11.238 -11.157 -5.544 1.00 0.00 C ATOM 734 CE LYS A 47 11.667 -12.264 -6.495 1.00 0.00 C ATOM 735 NZ LYS A 47 12.597 -11.764 -7.545 1.00 0.00 N ATOM 0 H LYS A 47 7.905 -10.198 -4.547 1.00 0.00 H new ATOM 0 HA LYS A 47 8.479 -7.468 -5.018 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.632 -8.318 -5.787 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.144 -9.168 -4.333 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.157 -10.938 -6.021 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.238 -10.179 -7.172 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.080 -10.492 -5.355 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.952 -11.590 -4.585 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.152 -13.060 -5.930 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.786 -12.699 -6.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.839 -12.541 -8.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.138 -10.998 -8.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.464 -11.403 -7.098 1.00 0.00 H new ATOM 749 N ASN A 48 7.342 -9.143 -7.524 1.00 0.00 N ATOM 750 CA ASN A 48 6.931 -9.066 -8.921 1.00 0.00 C ATOM 751 C ASN A 48 5.459 -8.682 -9.034 1.00 0.00 C ATOM 752 O ASN A 48 4.762 -9.111 -9.955 1.00 0.00 O ATOM 753 CB ASN A 48 7.175 -10.405 -9.621 1.00 0.00 C ATOM 754 CG ASN A 48 8.535 -10.990 -9.291 1.00 0.00 C ATOM 755 OD1 ASN A 48 8.656 -12.179 -8.999 1.00 0.00 O ATOM 756 ND2 ASN A 48 9.565 -10.154 -9.337 1.00 0.00 N ATOM 0 H ASN A 48 6.956 -9.937 -7.014 1.00 0.00 H new ATOM 0 HA ASN A 48 7.528 -8.295 -9.408 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.398 -11.111 -9.329 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.093 -10.269 -10.699 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.504 -10.490 -9.125 1.00 0.00 H new ATOM 0 HD22 ASN A 48 9.417 -9.176 -9.584 1.00 0.00 H new ATOM 763 N LEU A 49 4.991 -7.869 -8.093 1.00 0.00 N ATOM 764 CA LEU A 49 3.601 -7.426 -8.086 1.00 0.00 C ATOM 765 C LEU A 49 3.465 -6.053 -8.738 1.00 0.00 C ATOM 766 O LEU A 49 2.624 -5.852 -9.614 1.00 0.00 O ATOM 767 CB LEU A 49 3.067 -7.378 -6.654 1.00 0.00 C ATOM 768 CG LEU A 49 1.804 -6.544 -6.436 1.00 0.00 C ATOM 769 CD1 LEU A 49 0.704 -6.982 -7.391 1.00 0.00 C ATOM 770 CD2 LEU A 49 1.334 -6.655 -4.992 1.00 0.00 C ATOM 0 H LEU A 49 5.554 -7.503 -7.325 1.00 0.00 H new ATOM 0 HA LEU A 49 3.014 -8.142 -8.662 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.865 -8.398 -6.329 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.853 -6.987 -6.008 1.00 0.00 H new ATOM 0 HG LEU A 49 2.041 -5.500 -6.641 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.187 -6.378 -7.221 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.041 -6.851 -8.419 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.469 -8.032 -7.218 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.434 -6.055 -4.855 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.114 -7.697 -4.760 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.117 -6.292 -4.326 1.00 0.00 H new ATOM 782 N ILE A 50 4.299 -5.113 -8.304 1.00 0.00 N ATOM 783 CA ILE A 50 4.273 -3.761 -8.848 1.00 0.00 C ATOM 784 C ILE A 50 4.106 -3.781 -10.363 1.00 0.00 C ATOM 785 O ILE A 50 3.572 -2.840 -10.953 1.00 0.00 O ATOM 786 CB ILE A 50 5.557 -2.988 -8.494 1.00 0.00 C ATOM 787 CG1 ILE A 50 5.385 -1.500 -8.805 1.00 0.00 C ATOM 788 CG2 ILE A 50 6.745 -3.559 -9.254 1.00 0.00 C ATOM 789 CD1 ILE A 50 4.559 -0.759 -7.777 1.00 0.00 C ATOM 0 H ILE A 50 5.000 -5.263 -7.578 1.00 0.00 H new ATOM 0 HA ILE A 50 3.418 -3.256 -8.398 1.00 0.00 H new ATOM 0 HB ILE A 50 5.746 -3.097 -7.426 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.369 -1.035 -8.872 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.915 -1.393 -9.782 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.645 -3.002 -8.993 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.877 -4.608 -8.988 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.565 -3.476 -10.326 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.479 0.290 -8.062 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.563 -1.198 -7.726 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.039 -0.834 -6.801 1.00 0.00 H new ATOM 801 N LYS A 51 4.564 -4.859 -10.990 1.00 0.00 N ATOM 802 CA LYS A 51 4.463 -5.005 -12.437 1.00 0.00 C ATOM 803 C LYS A 51 3.005 -5.101 -12.874 1.00 0.00 C ATOM 804 O LYS A 51 2.603 -4.491 -13.864 1.00 0.00 O ATOM 805 CB LYS A 51 5.228 -6.247 -12.900 1.00 0.00 C ATOM 806 CG LYS A 51 6.726 -6.160 -12.667 1.00 0.00 C ATOM 807 CD LYS A 51 7.093 -6.546 -11.244 1.00 0.00 C ATOM 808 CE LYS A 51 8.573 -6.876 -11.120 1.00 0.00 C ATOM 809 NZ LYS A 51 8.909 -8.171 -11.773 1.00 0.00 N ATOM 0 H LYS A 51 5.010 -5.646 -10.518 1.00 0.00 H new ATOM 0 HA LYS A 51 4.905 -4.121 -12.898 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.837 -7.120 -12.377 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.042 -6.403 -13.963 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.243 -6.816 -13.368 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.068 -5.145 -12.869 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.844 -5.728 -10.568 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.500 -7.407 -10.935 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.162 -6.078 -11.572 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.849 -6.918 -10.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.783 -8.553 -11.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.132 -8.846 -11.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.047 -8.020 -12.793 1.00 0.00 H new ATOM 823 N GLU A 52 2.217 -5.870 -12.128 1.00 0.00 N ATOM 824 CA GLU A 52 0.803 -6.044 -12.439 1.00 0.00 C ATOM 825 C GLU A 52 -0.036 -4.949 -11.787 1.00 0.00 C ATOM 826 O GLU A 52 -1.197 -4.745 -12.144 1.00 0.00 O ATOM 827 CB GLU A 52 0.321 -7.419 -11.972 1.00 0.00 C ATOM 828 CG GLU A 52 1.229 -8.560 -12.398 1.00 0.00 C ATOM 829 CD GLU A 52 1.172 -8.825 -13.890 1.00 0.00 C ATOM 830 OE1 GLU A 52 1.823 -8.079 -14.651 1.00 0.00 O ATOM 831 OE2 GLU A 52 0.476 -9.779 -14.296 1.00 0.00 O ATOM 0 H GLU A 52 2.534 -6.382 -11.305 1.00 0.00 H new ATOM 0 HA GLU A 52 0.683 -5.973 -13.520 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.241 -7.416 -10.885 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.680 -7.596 -12.365 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.255 -8.329 -12.113 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.945 -9.465 -11.861 1.00 0.00 H new ATOM 838 N PHE A 53 0.559 -4.248 -10.828 1.00 0.00 N ATOM 839 CA PHE A 53 -0.133 -3.175 -10.123 1.00 0.00 C ATOM 840 C PHE A 53 -0.487 -2.038 -11.078 1.00 0.00 C ATOM 841 O PHE A 53 0.390 -1.437 -11.699 1.00 0.00 O ATOM 842 CB PHE A 53 0.733 -2.644 -8.979 1.00 0.00 C ATOM 843 CG PHE A 53 0.340 -1.271 -8.517 1.00 0.00 C ATOM 844 CD1 PHE A 53 0.871 -0.143 -9.123 1.00 0.00 C ATOM 845 CD2 PHE A 53 -0.560 -1.107 -7.477 1.00 0.00 C ATOM 846 CE1 PHE A 53 0.511 1.122 -8.698 1.00 0.00 C ATOM 847 CE2 PHE A 53 -0.924 0.156 -7.048 1.00 0.00 C ATOM 848 CZ PHE A 53 -0.388 1.272 -7.661 1.00 0.00 C ATOM 0 H PHE A 53 1.519 -4.404 -10.521 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.056 -3.582 -9.711 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.671 -3.333 -8.137 1.00 0.00 H new ATOM 0 HB3 PHE A 53 1.774 -2.626 -9.300 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.573 -0.254 -9.936 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.983 -1.976 -6.995 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.933 1.993 -9.177 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.626 0.270 -6.235 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.672 2.260 -7.330 1.00 0.00 H new ATOM 858 N LYS A 54 -1.779 -1.748 -11.189 1.00 0.00 N ATOM 859 CA LYS A 54 -2.252 -0.683 -12.066 1.00 0.00 C ATOM 860 C LYS A 54 -2.508 0.598 -11.278 1.00 0.00 C ATOM 861 O LYS A 54 -2.198 1.695 -11.741 1.00 0.00 O ATOM 862 CB LYS A 54 -3.532 -1.117 -12.785 1.00 0.00 C ATOM 863 CG LYS A 54 -3.889 -0.239 -13.972 1.00 0.00 C ATOM 864 CD LYS A 54 -5.269 -0.572 -14.516 1.00 0.00 C ATOM 865 CE LYS A 54 -5.858 0.594 -15.294 1.00 0.00 C ATOM 866 NZ LYS A 54 -5.056 0.913 -16.508 1.00 0.00 N ATOM 0 H LYS A 54 -2.518 -2.236 -10.682 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.476 -0.484 -12.806 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.416 -2.146 -13.126 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.359 -1.108 -12.075 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.858 0.809 -13.673 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.146 -0.369 -14.759 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.205 -1.447 -15.163 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.933 -0.833 -13.692 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.881 0.356 -15.587 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.907 1.472 -14.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.500 1.702 -17.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.092 1.182 -16.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.016 0.078 -17.127 1.00 0.00 H new ATOM 880 N TYR A 55 -3.074 0.450 -10.085 1.00 0.00 N ATOM 881 CA TYR A 55 -3.372 1.595 -9.234 1.00 0.00 C ATOM 882 C TYR A 55 -3.738 1.144 -7.823 1.00 0.00 C ATOM 883 O TYR A 55 -4.015 -0.032 -7.588 1.00 0.00 O ATOM 884 CB TYR A 55 -4.514 2.418 -9.831 1.00 0.00 C ATOM 885 CG TYR A 55 -5.818 1.658 -9.934 1.00 0.00 C ATOM 886 CD1 TYR A 55 -6.719 1.639 -8.877 1.00 0.00 C ATOM 887 CD2 TYR A 55 -6.148 0.959 -11.089 1.00 0.00 C ATOM 888 CE1 TYR A 55 -7.911 0.946 -8.966 1.00 0.00 C ATOM 889 CE2 TYR A 55 -7.338 0.265 -11.188 1.00 0.00 C ATOM 890 CZ TYR A 55 -8.216 0.261 -10.124 1.00 0.00 C ATOM 891 OH TYR A 55 -9.402 -0.431 -10.218 1.00 0.00 O ATOM 0 H TYR A 55 -3.335 -0.452 -9.686 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.478 2.216 -9.177 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.668 3.307 -9.219 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.223 2.761 -10.824 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -6.484 2.175 -7.970 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -5.462 0.958 -11.923 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -8.600 0.941 -8.134 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -7.580 -0.272 -12.094 1.00 0.00 H new ATOM 0 HH TYR A 55 -9.463 -0.857 -11.098 1.00 0.00 H new ATOM 901 N ALA A 56 -3.738 2.088 -6.888 1.00 0.00 N ATOM 902 CA ALA A 56 -4.073 1.790 -5.501 1.00 0.00 C ATOM 903 C ALA A 56 -5.111 2.770 -4.964 1.00 0.00 C ATOM 904 O ALA A 56 -5.048 3.969 -5.239 1.00 0.00 O ATOM 905 CB ALA A 56 -2.821 1.820 -4.638 1.00 0.00 C ATOM 0 H ALA A 56 -3.510 3.066 -7.066 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.503 0.789 -5.464 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.086 1.596 -3.605 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.111 1.076 -5.000 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.367 2.810 -4.690 1.00 0.00 H new ATOM 911 N LEU A 57 -6.065 2.253 -4.199 1.00 0.00 N ATOM 912 CA LEU A 57 -7.118 3.083 -3.623 1.00 0.00 C ATOM 913 C LEU A 57 -6.868 3.328 -2.139 1.00 0.00 C ATOM 914 O LEU A 57 -7.239 2.514 -1.293 1.00 0.00 O ATOM 915 CB LEU A 57 -8.482 2.419 -3.819 1.00 0.00 C ATOM 916 CG LEU A 57 -8.822 1.992 -5.248 1.00 0.00 C ATOM 917 CD1 LEU A 57 -10.000 1.030 -5.252 1.00 0.00 C ATOM 918 CD2 LEU A 57 -9.122 3.209 -6.111 1.00 0.00 C ATOM 0 H LEU A 57 -6.132 1.263 -3.963 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.111 4.044 -4.137 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.531 1.540 -3.177 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.252 3.109 -3.474 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.958 1.477 -5.668 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.227 0.737 -6.277 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.748 0.144 -4.669 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -10.870 1.518 -4.813 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -9.362 2.886 -7.124 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -9.970 3.752 -5.693 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.250 3.862 -6.135 1.00 0.00 H new ATOM 930 N VAL A 58 -6.238 4.457 -1.829 1.00 0.00 N ATOM 931 CA VAL A 58 -5.941 4.812 -0.446 1.00 0.00 C ATOM 932 C VAL A 58 -7.174 5.373 0.254 1.00 0.00 C ATOM 933 O VAL A 58 -7.894 6.202 -0.304 1.00 0.00 O ATOM 934 CB VAL A 58 -4.803 5.846 -0.364 1.00 0.00 C ATOM 935 CG1 VAL A 58 -4.612 6.318 1.069 1.00 0.00 C ATOM 936 CG2 VAL A 58 -3.512 5.262 -0.918 1.00 0.00 C ATOM 0 H VAL A 58 -5.924 5.141 -2.517 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.627 3.897 0.055 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.075 6.709 -0.972 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.804 7.048 1.107 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.533 6.778 1.426 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.362 5.467 1.702 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.718 6.006 -0.852 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.233 4.382 -0.339 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.659 4.979 -1.960 1.00 0.00 H new ATOM 946 N TRP A 59 -7.411 4.918 1.478 1.00 0.00 N ATOM 947 CA TRP A 59 -8.557 5.375 2.256 1.00 0.00 C ATOM 948 C TRP A 59 -8.110 5.964 3.589 1.00 0.00 C ATOM 949 O TRP A 59 -8.000 5.253 4.587 1.00 0.00 O ATOM 950 CB TRP A 59 -9.530 4.220 2.496 1.00 0.00 C ATOM 951 CG TRP A 59 -10.262 3.794 1.259 1.00 0.00 C ATOM 952 CD1 TRP A 59 -11.329 4.421 0.681 1.00 0.00 C ATOM 953 CD2 TRP A 59 -9.983 2.646 0.450 1.00 0.00 C ATOM 954 NE1 TRP A 59 -11.729 3.732 -0.438 1.00 0.00 N ATOM 955 CE2 TRP A 59 -10.919 2.640 -0.602 1.00 0.00 C ATOM 956 CE3 TRP A 59 -9.031 1.624 0.511 1.00 0.00 C ATOM 957 CZ2 TRP A 59 -10.930 1.651 -1.583 1.00 0.00 C ATOM 958 CZ3 TRP A 59 -9.044 0.643 -0.462 1.00 0.00 C ATOM 959 CH2 TRP A 59 -9.988 0.663 -1.498 1.00 0.00 C ATOM 0 H TRP A 59 -6.825 4.232 1.954 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.063 6.155 1.687 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -8.980 3.368 2.896 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -10.255 4.516 3.255 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -11.790 5.325 1.050 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -12.504 3.992 -1.048 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.299 1.602 1.304 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -11.656 1.664 -2.382 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -8.315 -0.153 -0.424 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.971 -0.118 -2.244 1.00 0.00 H new ATOM 970 N GLY A 60 -7.854 7.269 3.599 1.00 0.00 N ATOM 971 CA GLY A 60 -7.423 7.931 4.816 1.00 0.00 C ATOM 972 C GLY A 60 -7.271 9.429 4.638 1.00 0.00 C ATOM 973 O GLY A 60 -8.104 10.074 4.000 1.00 0.00 O ATOM 0 H GLY A 60 -7.938 7.879 2.786 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.145 7.734 5.609 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.472 7.508 5.139 1.00 0.00 H new ATOM 977 N LEU A 61 -6.206 9.985 5.205 1.00 0.00 N ATOM 978 CA LEU A 61 -5.948 11.418 5.107 1.00 0.00 C ATOM 979 C LEU A 61 -5.132 11.741 3.860 1.00 0.00 C ATOM 980 O LEU A 61 -5.458 12.665 3.115 1.00 0.00 O ATOM 981 CB LEU A 61 -5.211 11.909 6.354 1.00 0.00 C ATOM 982 CG LEU A 61 -5.753 11.411 7.694 1.00 0.00 C ATOM 983 CD1 LEU A 61 -4.635 11.321 8.722 1.00 0.00 C ATOM 984 CD2 LEU A 61 -6.866 12.322 8.192 1.00 0.00 C ATOM 0 H LEU A 61 -5.507 9.466 5.737 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.907 11.931 5.033 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.166 11.611 6.274 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.232 12.999 6.359 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.166 10.413 7.548 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.040 10.965 9.669 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.872 10.627 8.370 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.192 12.306 8.864 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.239 11.952 9.147 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.479 13.333 8.321 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.678 12.335 7.465 1.00 0.00 H new ATOM 996 N SER A 62 -4.071 10.972 3.637 1.00 0.00 N ATOM 997 CA SER A 62 -3.207 11.177 2.481 1.00 0.00 C ATOM 998 C SER A 62 -4.022 11.597 1.262 1.00 0.00 C ATOM 999 O SER A 62 -3.557 12.373 0.427 1.00 0.00 O ATOM 1000 CB SER A 62 -2.424 9.900 2.170 1.00 0.00 C ATOM 1001 OG SER A 62 -1.186 9.880 2.859 1.00 0.00 O ATOM 0 H SER A 62 -3.789 10.201 4.242 1.00 0.00 H new ATOM 0 HA SER A 62 -2.505 11.976 2.720 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.015 9.029 2.453 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.248 9.830 1.097 1.00 0.00 H new ATOM 0 HG SER A 62 -0.734 9.026 2.696 1.00 0.00 H new ATOM 1007 N VAL A 63 -5.242 11.078 1.166 1.00 0.00 N ATOM 1008 CA VAL A 63 -6.124 11.399 0.050 1.00 0.00 C ATOM 1009 C VAL A 63 -7.291 12.269 0.504 1.00 0.00 C ATOM 1010 O VAL A 63 -7.881 12.034 1.559 1.00 0.00 O ATOM 1011 CB VAL A 63 -6.677 10.123 -0.614 1.00 0.00 C ATOM 1012 CG1 VAL A 63 -5.539 9.229 -1.083 1.00 0.00 C ATOM 1013 CG2 VAL A 63 -7.591 9.377 0.346 1.00 0.00 C ATOM 0 H VAL A 63 -5.642 10.433 1.848 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.526 11.948 -0.677 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.263 10.413 -1.486 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.949 8.333 -1.549 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.928 9.768 -1.807 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.924 8.945 -0.229 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.973 8.479 -0.139 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.031 9.098 1.238 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.425 10.020 0.628 1.00 0.00 H new ATOM 1023 N LYS A 64 -7.619 13.275 -0.299 1.00 0.00 N ATOM 1024 CA LYS A 64 -8.717 14.180 0.018 1.00 0.00 C ATOM 1025 C LYS A 64 -10.065 13.496 -0.190 1.00 0.00 C ATOM 1026 O LYS A 64 -10.957 13.590 0.653 1.00 0.00 O ATOM 1027 CB LYS A 64 -8.634 15.439 -0.849 1.00 0.00 C ATOM 1028 CG LYS A 64 -7.526 16.391 -0.433 1.00 0.00 C ATOM 1029 CD LYS A 64 -7.858 17.099 0.870 1.00 0.00 C ATOM 1030 CE LYS A 64 -6.759 18.070 1.273 1.00 0.00 C ATOM 1031 NZ LYS A 64 -6.868 19.365 0.546 1.00 0.00 N ATOM 0 H LYS A 64 -7.140 13.484 -1.175 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.630 14.461 1.067 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.479 15.146 -1.887 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.588 15.964 -0.805 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.593 15.838 -0.320 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.366 17.129 -1.219 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -8.799 17.638 0.763 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.001 16.361 1.660 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.810 18.251 2.347 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.786 17.621 1.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.101 19.999 0.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.794 19.196 -0.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.786 19.806 0.758 1.00 0.00 H new ATOM 1045 N HIS A 65 -10.205 12.806 -1.318 1.00 0.00 N ATOM 1046 CA HIS A 65 -11.443 12.103 -1.635 1.00 0.00 C ATOM 1047 C HIS A 65 -11.158 10.667 -2.064 1.00 0.00 C ATOM 1048 O HIS A 65 -10.593 10.428 -3.130 1.00 0.00 O ATOM 1049 CB HIS A 65 -12.201 12.837 -2.741 1.00 0.00 C ATOM 1050 CG HIS A 65 -12.426 14.289 -2.451 1.00 0.00 C ATOM 1051 ND1 HIS A 65 -13.665 14.813 -2.148 1.00 0.00 N ATOM 1052 CD2 HIS A 65 -11.561 15.330 -2.417 1.00 0.00 C ATOM 1053 CE1 HIS A 65 -13.553 16.113 -1.942 1.00 0.00 C ATOM 1054 NE2 HIS A 65 -12.286 16.452 -2.099 1.00 0.00 N ATOM 0 H HIS A 65 -9.477 12.719 -2.027 1.00 0.00 H new ATOM 0 HA HIS A 65 -12.059 12.079 -0.736 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -11.646 12.743 -3.674 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -13.165 12.352 -2.893 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -10.498 15.286 -2.605 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -14.360 16.784 -1.688 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -11.908 17.394 -2.000 1.00 0.00 H new ATOM 1063 N ASN A 66 -11.553 9.714 -1.225 1.00 0.00 N ATOM 1064 CA ASN A 66 -11.339 8.302 -1.517 1.00 0.00 C ATOM 1065 C ASN A 66 -12.655 7.613 -1.865 1.00 0.00 C ATOM 1066 O ASN A 66 -13.739 8.071 -1.503 1.00 0.00 O ATOM 1067 CB ASN A 66 -10.686 7.606 -0.321 1.00 0.00 C ATOM 1068 CG ASN A 66 -11.188 8.143 1.005 1.00 0.00 C ATOM 1069 OD1 ASN A 66 -12.394 8.258 1.225 1.00 0.00 O ATOM 1070 ND2 ASN A 66 -10.262 8.475 1.897 1.00 0.00 N ATOM 0 H ASN A 66 -12.023 9.895 -0.338 1.00 0.00 H new ATOM 0 HA ASN A 66 -10.674 8.231 -2.378 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -10.884 6.535 -0.375 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -9.605 7.734 -0.376 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.539 8.842 2.807 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -9.274 8.363 1.672 1.00 0.00 H new ATOM 1077 N PRO A 67 -12.560 6.484 -2.583 1.00 0.00 N ATOM 1078 CA PRO A 67 -11.276 5.929 -3.019 1.00 0.00 C ATOM 1079 C PRO A 67 -10.609 6.783 -4.092 1.00 0.00 C ATOM 1080 O PRO A 67 -11.265 7.245 -5.025 1.00 0.00 O ATOM 1081 CB PRO A 67 -11.655 4.558 -3.586 1.00 0.00 C ATOM 1082 CG PRO A 67 -13.079 4.701 -4.000 1.00 0.00 C ATOM 1083 CD PRO A 67 -13.700 5.662 -3.024 1.00 0.00 C ATOM 0 HA PRO A 67 -10.555 5.883 -2.203 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -11.022 4.290 -4.432 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -11.537 3.774 -2.838 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.153 5.079 -5.020 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -13.590 3.738 -3.979 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -14.474 6.268 -3.494 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -14.167 5.141 -2.188 1.00 0.00 H new ATOM 1091 N GLN A 68 -9.303 6.988 -3.953 1.00 0.00 N ATOM 1092 CA GLN A 68 -8.549 7.787 -4.911 1.00 0.00 C ATOM 1093 C GLN A 68 -7.545 6.925 -5.668 1.00 0.00 C ATOM 1094 O GLN A 68 -6.740 6.215 -5.064 1.00 0.00 O ATOM 1095 CB GLN A 68 -7.824 8.928 -4.196 1.00 0.00 C ATOM 1096 CG GLN A 68 -6.888 9.715 -5.100 1.00 0.00 C ATOM 1097 CD GLN A 68 -5.891 10.551 -4.322 1.00 0.00 C ATOM 1098 OE1 GLN A 68 -4.703 10.233 -4.270 1.00 0.00 O ATOM 1099 NE2 GLN A 68 -6.371 11.628 -3.711 1.00 0.00 N ATOM 0 H GLN A 68 -8.745 6.612 -3.186 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.253 8.207 -5.629 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.563 9.608 -3.772 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.252 8.519 -3.363 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -6.349 9.024 -5.748 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -7.476 10.366 -5.747 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -7.363 11.854 -3.781 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -5.747 12.229 -3.172 1.00 0.00 H new ATOM 1108 N LYS A 69 -7.597 6.991 -6.994 1.00 0.00 N ATOM 1109 CA LYS A 69 -6.691 6.217 -7.835 1.00 0.00 C ATOM 1110 C LYS A 69 -5.282 6.799 -7.796 1.00 0.00 C ATOM 1111 O LYS A 69 -5.007 7.829 -8.410 1.00 0.00 O ATOM 1112 CB LYS A 69 -7.202 6.188 -9.277 1.00 0.00 C ATOM 1113 CG LYS A 69 -6.663 5.023 -10.090 1.00 0.00 C ATOM 1114 CD LYS A 69 -7.548 4.722 -11.288 1.00 0.00 C ATOM 1115 CE LYS A 69 -6.823 3.864 -12.314 1.00 0.00 C ATOM 1116 NZ LYS A 69 -6.091 4.692 -13.312 1.00 0.00 N ATOM 0 H LYS A 69 -8.257 7.573 -7.510 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.655 5.199 -7.447 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.291 6.140 -9.267 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.929 7.121 -9.769 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.653 5.252 -10.431 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.593 4.138 -9.457 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.450 4.209 -10.955 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.865 5.656 -11.752 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.121 3.204 -11.804 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.543 3.227 -12.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.610 4.070 -13.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.764 5.304 -13.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -5.386 5.281 -12.824 1.00 0.00 H new ATOM 1130 N VAL A 70 -4.391 6.131 -7.070 1.00 0.00 N ATOM 1131 CA VAL A 70 -3.009 6.580 -6.952 1.00 0.00 C ATOM 1132 C VAL A 70 -2.064 5.656 -7.712 1.00 0.00 C ATOM 1133 O VAL A 70 -2.448 4.564 -8.128 1.00 0.00 O ATOM 1134 CB VAL A 70 -2.565 6.651 -5.479 1.00 0.00 C ATOM 1135 CG1 VAL A 70 -3.474 7.583 -4.692 1.00 0.00 C ATOM 1136 CG2 VAL A 70 -2.547 5.262 -4.861 1.00 0.00 C ATOM 0 H VAL A 70 -4.602 5.277 -6.555 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.963 7.579 -7.386 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.553 7.053 -5.441 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.145 7.621 -3.653 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.430 8.583 -5.123 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.499 7.214 -4.735 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.231 5.331 -3.820 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.546 4.829 -4.909 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.851 4.628 -5.410 1.00 0.00 H new ATOM 1146 N GLY A 71 -0.824 6.102 -7.890 1.00 0.00 N ATOM 1147 CA GLY A 71 0.158 5.302 -8.599 1.00 0.00 C ATOM 1148 C GLY A 71 1.058 4.523 -7.661 1.00 0.00 C ATOM 1149 O GLY A 71 0.598 3.972 -6.661 1.00 0.00 O ATOM 0 H GLY A 71 -0.482 7.003 -7.556 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.355 4.608 -9.265 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.768 5.953 -9.226 1.00 0.00 H new ATOM 1153 N LYS A 72 2.346 4.475 -7.985 1.00 0.00 N ATOM 1154 CA LYS A 72 3.315 3.757 -7.165 1.00 0.00 C ATOM 1155 C LYS A 72 4.177 4.729 -6.366 1.00 0.00 C ATOM 1156 O LYS A 72 4.825 4.343 -5.393 1.00 0.00 O ATOM 1157 CB LYS A 72 4.204 2.875 -8.044 1.00 0.00 C ATOM 1158 CG LYS A 72 4.940 3.642 -9.129 1.00 0.00 C ATOM 1159 CD LYS A 72 6.242 2.958 -9.510 1.00 0.00 C ATOM 1160 CE LYS A 72 7.090 3.839 -10.415 1.00 0.00 C ATOM 1161 NZ LYS A 72 8.460 3.285 -10.601 1.00 0.00 N ATOM 0 H LYS A 72 2.743 4.925 -8.810 1.00 0.00 H new ATOM 0 HA LYS A 72 2.766 3.126 -6.466 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.932 2.365 -7.413 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.590 2.104 -8.509 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.303 3.730 -10.009 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.148 4.655 -8.783 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.803 2.714 -8.608 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.026 2.017 -10.015 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.603 3.938 -11.385 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.158 4.840 -9.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.007 3.913 -11.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.934 3.214 -9.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.397 2.340 -11.032 1.00 0.00 H new ATOM 1175 N ASP A 73 4.179 5.991 -6.781 1.00 0.00 N ATOM 1176 CA ASP A 73 4.959 7.019 -6.102 1.00 0.00 C ATOM 1177 C ASP A 73 4.195 7.582 -4.909 1.00 0.00 C ATOM 1178 O ASP A 73 4.787 8.144 -3.988 1.00 0.00 O ATOM 1179 CB ASP A 73 5.314 8.145 -7.074 1.00 0.00 C ATOM 1180 CG ASP A 73 5.910 9.349 -6.372 1.00 0.00 C ATOM 1181 OD1 ASP A 73 6.738 9.152 -5.458 1.00 0.00 O ATOM 1182 OD2 ASP A 73 5.549 10.488 -6.736 1.00 0.00 O ATOM 0 H ASP A 73 3.649 6.327 -7.585 1.00 0.00 H new ATOM 0 HA ASP A 73 5.878 6.561 -5.738 1.00 0.00 H new ATOM 0 HB2 ASP A 73 6.022 7.772 -7.814 1.00 0.00 H new ATOM 0 HB3 ASP A 73 4.418 8.450 -7.615 1.00 0.00 H new ATOM 1187 N HIS A 74 2.874 7.427 -4.932 1.00 0.00 N ATOM 1188 CA HIS A 74 2.028 7.920 -3.851 1.00 0.00 C ATOM 1189 C HIS A 74 2.546 7.448 -2.496 1.00 0.00 C ATOM 1190 O HIS A 74 2.931 6.289 -2.335 1.00 0.00 O ATOM 1191 CB HIS A 74 0.586 7.452 -4.050 1.00 0.00 C ATOM 1192 CG HIS A 74 -0.341 7.888 -2.958 1.00 0.00 C ATOM 1193 ND1 HIS A 74 -0.993 9.103 -2.964 1.00 0.00 N ATOM 1194 CD2 HIS A 74 -0.726 7.263 -1.821 1.00 0.00 C ATOM 1195 CE1 HIS A 74 -1.737 9.207 -1.877 1.00 0.00 C ATOM 1196 NE2 HIS A 74 -1.593 8.103 -1.167 1.00 0.00 N ATOM 0 H HIS A 74 2.367 6.964 -5.687 1.00 0.00 H new ATOM 0 HA HIS A 74 2.055 9.009 -3.870 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.217 7.833 -5.002 1.00 0.00 H new ATOM 0 HB3 HIS A 74 0.571 6.364 -4.115 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -0.913 9.811 -3.694 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -0.410 6.285 -1.490 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -2.357 10.051 -1.614 1.00 0.00 H new ATOM 1205 N THR A 75 2.555 8.354 -1.523 1.00 0.00 N ATOM 1206 CA THR A 75 3.028 8.031 -0.182 1.00 0.00 C ATOM 1207 C THR A 75 1.912 7.428 0.664 1.00 0.00 C ATOM 1208 O THR A 75 0.788 7.932 0.678 1.00 0.00 O ATOM 1209 CB THR A 75 3.583 9.277 0.533 1.00 0.00 C ATOM 1210 OG1 THR A 75 4.589 9.898 -0.275 1.00 0.00 O ATOM 1211 CG2 THR A 75 4.171 8.907 1.886 1.00 0.00 C ATOM 0 H THR A 75 2.240 9.317 -1.638 1.00 0.00 H new ATOM 0 HA THR A 75 3.829 7.300 -0.296 1.00 0.00 H new ATOM 0 HB THR A 75 2.761 9.975 0.690 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.936 10.690 0.186 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.557 9.803 2.372 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.396 8.461 2.510 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.982 8.192 1.747 1.00 0.00 H new ATOM 1219 N LEU A 76 2.229 6.348 1.369 1.00 0.00 N ATOM 1220 CA LEU A 76 1.252 5.676 2.220 1.00 0.00 C ATOM 1221 C LEU A 76 1.352 6.171 3.659 1.00 0.00 C ATOM 1222 O LEU A 76 2.445 6.273 4.215 1.00 0.00 O ATOM 1223 CB LEU A 76 1.462 4.162 2.173 1.00 0.00 C ATOM 1224 CG LEU A 76 0.988 3.457 0.902 1.00 0.00 C ATOM 1225 CD1 LEU A 76 1.524 2.035 0.848 1.00 0.00 C ATOM 1226 CD2 LEU A 76 -0.532 3.460 0.826 1.00 0.00 C ATOM 0 H LEU A 76 3.154 5.919 1.369 1.00 0.00 H new ATOM 0 HA LEU A 76 0.256 5.910 1.844 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.525 3.959 2.302 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.947 3.717 3.025 1.00 0.00 H new ATOM 0 HG LEU A 76 1.376 4.002 0.041 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.176 1.549 -0.064 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.614 2.056 0.854 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.167 1.478 1.715 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.852 2.954 -0.085 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.941 2.940 1.692 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.894 4.488 0.816 1.00 0.00 H new ATOM 1238 N GLU A 77 0.204 6.475 4.256 1.00 0.00 N ATOM 1239 CA GLU A 77 0.163 6.957 5.632 1.00 0.00 C ATOM 1240 C GLU A 77 -0.228 5.836 6.590 1.00 0.00 C ATOM 1241 O GLU A 77 -0.724 4.791 6.170 1.00 0.00 O ATOM 1242 CB GLU A 77 -0.824 8.119 5.759 1.00 0.00 C ATOM 1243 CG GLU A 77 -2.156 7.864 5.074 1.00 0.00 C ATOM 1244 CD GLU A 77 -3.308 8.575 5.757 1.00 0.00 C ATOM 1245 OE1 GLU A 77 -3.089 9.684 6.288 1.00 0.00 O ATOM 1246 OE2 GLU A 77 -4.428 8.023 5.761 1.00 0.00 O ATOM 0 H GLU A 77 -0.709 6.396 3.809 1.00 0.00 H new ATOM 0 HA GLU A 77 1.161 7.306 5.898 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.001 8.320 6.816 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -0.373 9.016 5.335 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.095 8.192 4.036 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.353 6.792 5.059 1.00 0.00 H new ATOM 1253 N ASP A 78 0.001 6.062 7.879 1.00 0.00 N ATOM 1254 CA ASP A 78 -0.328 5.072 8.899 1.00 0.00 C ATOM 1255 C ASP A 78 -1.831 4.815 8.942 1.00 0.00 C ATOM 1256 O ASP A 78 -2.623 5.634 8.479 1.00 0.00 O ATOM 1257 CB ASP A 78 0.162 5.539 10.270 1.00 0.00 C ATOM 1258 CG ASP A 78 -0.480 6.843 10.701 1.00 0.00 C ATOM 1259 OD1 ASP A 78 -1.561 7.176 10.172 1.00 0.00 O ATOM 1260 OD2 ASP A 78 0.098 7.530 11.569 1.00 0.00 O ATOM 0 H ASP A 78 0.413 6.921 8.243 1.00 0.00 H new ATOM 0 HA ASP A 78 0.174 4.140 8.641 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -0.053 4.769 11.011 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.245 5.662 10.243 1.00 0.00 H new ATOM 1265 N GLU A 79 -2.214 3.671 9.501 1.00 0.00 N ATOM 1266 CA GLU A 79 -3.623 3.306 9.603 1.00 0.00 C ATOM 1267 C GLU A 79 -4.366 3.641 8.313 1.00 0.00 C ATOM 1268 O GLU A 79 -5.375 4.345 8.330 1.00 0.00 O ATOM 1269 CB GLU A 79 -4.276 4.028 10.783 1.00 0.00 C ATOM 1270 CG GLU A 79 -3.927 3.427 12.134 1.00 0.00 C ATOM 1271 CD GLU A 79 -2.456 3.077 12.254 1.00 0.00 C ATOM 1272 OE1 GLU A 79 -2.088 1.936 11.905 1.00 0.00 O ATOM 1273 OE2 GLU A 79 -1.674 3.944 12.698 1.00 0.00 O ATOM 0 H GLU A 79 -1.570 2.982 9.890 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.682 2.230 9.767 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.972 5.075 10.771 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.358 4.009 10.655 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.194 4.132 12.921 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.524 2.529 12.294 1.00 0.00 H new ATOM 1280 N ASP A 80 -3.858 3.131 7.196 1.00 0.00 N ATOM 1281 CA ASP A 80 -4.473 3.375 5.896 1.00 0.00 C ATOM 1282 C ASP A 80 -4.711 2.064 5.153 1.00 0.00 C ATOM 1283 O ASP A 80 -3.958 1.103 5.311 1.00 0.00 O ATOM 1284 CB ASP A 80 -3.591 4.299 5.055 1.00 0.00 C ATOM 1285 CG ASP A 80 -4.355 4.958 3.925 1.00 0.00 C ATOM 1286 OD1 ASP A 80 -4.858 4.230 3.043 1.00 0.00 O ATOM 1287 OD2 ASP A 80 -4.451 6.203 3.921 1.00 0.00 O ATOM 0 H ASP A 80 -3.023 2.547 7.165 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.436 3.858 6.063 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -3.161 5.069 5.696 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.760 3.727 4.643 1.00 0.00 H new ATOM 1292 N VAL A 81 -5.765 2.031 4.343 1.00 0.00 N ATOM 1293 CA VAL A 81 -6.103 0.838 3.576 1.00 0.00 C ATOM 1294 C VAL A 81 -5.790 1.030 2.096 1.00 0.00 C ATOM 1295 O VAL A 81 -6.130 2.056 1.507 1.00 0.00 O ATOM 1296 CB VAL A 81 -7.591 0.473 3.731 1.00 0.00 C ATOM 1297 CG1 VAL A 81 -7.936 -0.739 2.880 1.00 0.00 C ATOM 1298 CG2 VAL A 81 -7.928 0.222 5.193 1.00 0.00 C ATOM 0 H VAL A 81 -6.399 2.817 4.201 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.494 0.025 3.971 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.191 1.313 3.382 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.992 -0.981 3.003 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.734 -0.517 1.832 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.330 -1.589 3.194 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -8.983 -0.035 5.284 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.321 -0.601 5.570 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.722 1.121 5.773 1.00 0.00 H new ATOM 1308 N ILE A 82 -5.140 0.035 1.501 1.00 0.00 N ATOM 1309 CA ILE A 82 -4.783 0.094 0.089 1.00 0.00 C ATOM 1310 C ILE A 82 -5.328 -1.113 -0.667 1.00 0.00 C ATOM 1311 O ILE A 82 -5.164 -2.254 -0.235 1.00 0.00 O ATOM 1312 CB ILE A 82 -3.256 0.158 -0.103 1.00 0.00 C ATOM 1313 CG1 ILE A 82 -2.909 0.207 -1.592 1.00 0.00 C ATOM 1314 CG2 ILE A 82 -2.588 -1.036 0.563 1.00 0.00 C ATOM 1315 CD1 ILE A 82 -1.452 0.511 -1.863 1.00 0.00 C ATOM 0 H ILE A 82 -4.850 -0.821 1.974 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.231 1.003 -0.312 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.883 1.068 0.368 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.163 -0.750 -2.048 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.526 0.964 -2.076 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.509 -0.977 0.419 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.812 -1.030 1.630 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.963 -1.958 0.118 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.278 0.530 -2.939 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.197 1.482 -1.437 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.829 -0.259 -1.409 1.00 0.00 H new ATOM 1327 N GLN A 83 -5.977 -0.853 -1.797 1.00 0.00 N ATOM 1328 CA GLN A 83 -6.546 -1.918 -2.614 1.00 0.00 C ATOM 1329 C GLN A 83 -5.703 -2.156 -3.862 1.00 0.00 C ATOM 1330 O GLN A 83 -5.831 -1.439 -4.855 1.00 0.00 O ATOM 1331 CB GLN A 83 -7.982 -1.573 -3.012 1.00 0.00 C ATOM 1332 CG GLN A 83 -8.536 -2.457 -4.117 1.00 0.00 C ATOM 1333 CD GLN A 83 -8.785 -3.880 -3.657 1.00 0.00 C ATOM 1334 OE1 GLN A 83 -7.852 -4.671 -3.513 1.00 0.00 O ATOM 1335 NE2 GLN A 83 -10.049 -4.214 -3.422 1.00 0.00 N ATOM 0 H GLN A 83 -6.122 0.086 -2.168 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.551 -2.833 -2.021 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -8.623 -1.657 -2.135 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -8.020 -0.533 -3.336 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -9.469 -2.030 -4.485 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -7.838 -2.467 -4.954 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -10.791 -3.527 -3.554 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -10.277 -5.158 -3.109 1.00 0.00 H new ATOM 1344 N ILE A 84 -4.842 -3.167 -3.805 1.00 0.00 N ATOM 1345 CA ILE A 84 -3.979 -3.499 -4.932 1.00 0.00 C ATOM 1346 C ILE A 84 -4.789 -4.046 -6.102 1.00 0.00 C ATOM 1347 O ILE A 84 -5.388 -5.118 -6.009 1.00 0.00 O ATOM 1348 CB ILE A 84 -2.909 -4.533 -4.535 1.00 0.00 C ATOM 1349 CG1 ILE A 84 -1.934 -3.927 -3.523 1.00 0.00 C ATOM 1350 CG2 ILE A 84 -2.164 -5.024 -5.768 1.00 0.00 C ATOM 1351 CD1 ILE A 84 -1.234 -2.684 -4.027 1.00 0.00 C ATOM 0 H ILE A 84 -4.724 -3.770 -2.991 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.486 -2.575 -5.235 1.00 0.00 H new ATOM 0 HB ILE A 84 -3.403 -5.386 -4.069 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.476 -3.683 -2.609 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.185 -4.674 -3.260 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.411 -5.754 -5.471 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.869 -5.489 -6.458 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.678 -4.181 -6.259 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.559 -2.309 -3.258 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.664 -2.926 -4.924 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.975 -1.920 -4.263 1.00 0.00 H new ATOM 1363 N VAL A 85 -4.802 -3.304 -7.205 1.00 0.00 N ATOM 1364 CA VAL A 85 -5.536 -3.715 -8.395 1.00 0.00 C ATOM 1365 C VAL A 85 -4.584 -4.156 -9.502 1.00 0.00 C ATOM 1366 O VAL A 85 -3.591 -3.486 -9.785 1.00 0.00 O ATOM 1367 CB VAL A 85 -6.430 -2.579 -8.924 1.00 0.00 C ATOM 1368 CG1 VAL A 85 -6.917 -2.892 -10.331 1.00 0.00 C ATOM 1369 CG2 VAL A 85 -7.604 -2.344 -7.985 1.00 0.00 C ATOM 0 H VAL A 85 -4.312 -2.414 -7.299 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.165 -4.556 -8.104 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.838 -1.665 -8.966 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.547 -2.077 -10.687 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -6.061 -3.006 -10.996 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.493 -3.818 -10.319 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -8.226 -1.538 -8.374 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -8.197 -3.255 -7.909 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.231 -2.071 -6.998 1.00 0.00 H new ATOM 1379 N LYS A 86 -4.895 -5.287 -10.127 1.00 0.00 N ATOM 1380 CA LYS A 86 -4.070 -5.818 -11.205 1.00 0.00 C ATOM 1381 C LYS A 86 -4.631 -5.420 -12.566 1.00 0.00 C ATOM 1382 O LYS A 86 -5.843 -5.278 -12.732 1.00 0.00 O ATOM 1383 CB LYS A 86 -3.981 -7.342 -11.104 1.00 0.00 C ATOM 1384 CG LYS A 86 -3.344 -7.830 -9.814 1.00 0.00 C ATOM 1385 CD LYS A 86 -3.010 -9.311 -9.883 1.00 0.00 C ATOM 1386 CE LYS A 86 -2.104 -9.732 -8.736 1.00 0.00 C ATOM 1387 NZ LYS A 86 -1.809 -11.191 -8.769 1.00 0.00 N ATOM 0 H LYS A 86 -5.713 -5.854 -9.905 1.00 0.00 H new ATOM 0 HA LYS A 86 -3.070 -5.395 -11.106 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.983 -7.762 -11.186 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.406 -7.721 -11.949 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.436 -7.260 -9.617 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.022 -7.647 -8.980 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.930 -9.894 -9.854 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.523 -9.531 -10.833 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -1.170 -9.172 -8.786 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.577 -9.479 -7.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.189 -11.438 -7.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.697 -11.727 -8.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.334 -11.429 -9.663 1.00 0.00 H new ATOM 1401 N LYS A 87 -3.743 -5.242 -13.538 1.00 0.00 N ATOM 1402 CA LYS A 87 -4.149 -4.863 -14.886 1.00 0.00 C ATOM 1403 C LYS A 87 -5.166 -5.852 -15.447 1.00 0.00 C ATOM 1404 O LYS A 87 -4.924 -7.059 -15.472 1.00 0.00 O ATOM 1405 CB LYS A 87 -2.929 -4.792 -15.808 1.00 0.00 C ATOM 1406 CG LYS A 87 -1.900 -3.762 -15.377 1.00 0.00 C ATOM 1407 CD LYS A 87 -1.089 -3.256 -16.558 1.00 0.00 C ATOM 1408 CE LYS A 87 -1.739 -2.040 -17.200 1.00 0.00 C ATOM 1409 NZ LYS A 87 -0.774 -1.271 -18.034 1.00 0.00 N ATOM 0 H LYS A 87 -2.736 -5.354 -13.417 1.00 0.00 H new ATOM 0 HA LYS A 87 -4.616 -3.879 -14.834 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.455 -5.773 -15.846 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.262 -4.560 -16.820 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.403 -2.924 -14.894 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.231 -4.202 -14.637 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -0.083 -3.000 -16.227 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -0.988 -4.050 -17.298 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -2.578 -2.360 -17.818 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -2.144 -1.392 -16.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -1.255 -0.450 -18.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 0.014 -0.943 -17.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -0.406 -1.882 -18.791 1.00 0.00 H new