USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 637 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: C 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: I 154 MET CE :methyl 179:sc= 0 (180deg=0) USER MOD Set 2.1: C 13 THR OG1 : rot 150:sc= -0.501 USER MOD Set 2.2: C 16 GLN : amide:sc= -0.452 K(o=-0.95,f=-2.3) USER MOD Single : C 11 GLN : amide:sc= -1.25! K(o=-1.3!,f=0) USER MOD Single : C 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 ASN : amide:sc= -0.998 X(o=-1,f=-1.3!) USER MOD Single : C 21 LYS NZ :NH3+ 164:sc=-0.00302 (180deg=-0.119) USER MOD Single : C 35 CYS SG : rot 180:sc= -0.193 USER MOD Single : C 37 SER OG : rot 180:sc= 0 USER MOD Single : C 38 THR OG1 : rot 180:sc= 0 USER MOD Single : C 39 LYS NZ :NH3+ 162:sc= -0.0201 (180deg=-0.303) USER MOD Single : C 43 LYS NZ :NH3+ 146:sc= -0.116 (180deg=-1.09) USER MOD Single : C 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 47 MET CE :methyl 158:sc= -0.0777 (180deg=-0.698) USER MOD Single : C 50 GLN : amide:sc= -0.233 X(o=-0.23,f=-0.35) USER MOD Single : C 51 ASN : amide:sc= -1.25 K(o=-1.2,f=-4.1!) USER MOD Single : C 53 THR OG1 : rot 180:sc=-0.00856 USER MOD Single : C 58 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : C 60 MET CE :methyl 164:sc= -0.0164 (180deg=-0.337) USER MOD Single : C 69 SER OG : rot 113:sc= 0.722 USER MOD Single : C 71 THR OG1 : rot 180:sc= 0 USER MOD Single : C 80 MET CE :methyl 149:sc= 0 (180deg=-0.0195) USER MOD Single : C 84 CYS SG : rot 180:sc= 0 USER MOD Single : C 85 MET CE :methyl 143:sc= 0 (180deg=-0.0343) USER MOD Single : C 86 LYS NZ :NH3+ -163:sc=-0.00278 (180deg=-0.261) USER MOD Single : I 153 MET CE :methyl -138:sc= 0 (180deg=-0.291) USER MOD Single : I 155 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 106 N ALA C 7 23.184 0.622 6.852 1.00 0.00 N ATOM 107 CA ALA C 7 23.973 -0.513 6.397 1.00 0.00 C ATOM 108 C ALA C 7 25.432 -0.113 6.243 1.00 0.00 C ATOM 109 O ALA C 7 26.329 -0.867 6.608 1.00 0.00 O ATOM 110 CB ALA C 7 23.433 -1.031 5.059 1.00 0.00 C ATOM 0 HA ALA C 7 23.900 -1.306 7.141 1.00 0.00 H new ATOM 0 HB1 ALA C 7 24.032 -1.880 4.729 1.00 0.00 H new ATOM 0 HB2 ALA C 7 22.396 -1.344 5.182 1.00 0.00 H new ATOM 0 HB3 ALA C 7 23.487 -0.238 4.313 1.00 0.00 H new ATOM 116 N ALA C 8 25.667 1.085 5.709 1.00 0.00 N ATOM 117 CA ALA C 8 27.037 1.553 5.524 1.00 0.00 C ATOM 118 C ALA C 8 27.729 1.688 6.872 1.00 0.00 C ATOM 119 O ALA C 8 28.890 1.314 7.032 1.00 0.00 O ATOM 120 CB ALA C 8 27.045 2.906 4.808 1.00 0.00 C ATOM 0 H ALA C 8 24.943 1.736 5.403 1.00 0.00 H new ATOM 0 HA ALA C 8 27.572 0.824 4.915 1.00 0.00 H new ATOM 0 HB1 ALA C 8 28.074 3.242 4.677 1.00 0.00 H new ATOM 0 HB2 ALA C 8 26.570 2.804 3.832 1.00 0.00 H new ATOM 0 HB3 ALA C 8 26.498 3.636 5.404 1.00 0.00 H new ATOM 126 N VAL C 9 26.994 2.220 7.838 1.00 0.00 N ATOM 127 CA VAL C 9 27.517 2.414 9.182 1.00 0.00 C ATOM 128 C VAL C 9 27.902 1.082 9.820 1.00 0.00 C ATOM 129 O VAL C 9 28.982 0.945 10.392 1.00 0.00 O ATOM 130 CB VAL C 9 26.454 3.108 10.028 1.00 0.00 C ATOM 131 CG1 VAL C 9 26.879 3.113 11.500 1.00 0.00 C ATOM 132 CG2 VAL C 9 26.284 4.548 9.540 1.00 0.00 C ATOM 0 H VAL C 9 26.029 2.526 7.715 1.00 0.00 H new ATOM 0 HA VAL C 9 28.415 3.030 9.127 1.00 0.00 H new ATOM 0 HB VAL C 9 25.510 2.572 9.933 1.00 0.00 H new ATOM 0 HG11 VAL C 9 26.115 3.610 12.098 1.00 0.00 H new ATOM 0 HG12 VAL C 9 27.000 2.087 11.847 1.00 0.00 H new ATOM 0 HG13 VAL C 9 27.824 3.645 11.604 1.00 0.00 H new ATOM 0 HG21 VAL C 9 25.525 5.049 10.141 1.00 0.00 H new ATOM 0 HG22 VAL C 9 27.231 5.079 9.636 1.00 0.00 H new ATOM 0 HG23 VAL C 9 25.974 4.544 8.495 1.00 0.00 H new ATOM 142 N GLU C 10 27.014 0.100 9.715 1.00 0.00 N ATOM 143 CA GLU C 10 27.281 -1.217 10.281 1.00 0.00 C ATOM 144 C GLU C 10 28.367 -1.937 9.487 1.00 0.00 C ATOM 145 O GLU C 10 29.213 -2.623 10.060 1.00 0.00 O ATOM 146 CB GLU C 10 25.999 -2.054 10.296 1.00 0.00 C ATOM 147 CG GLU C 10 25.296 -1.884 11.646 1.00 0.00 C ATOM 148 CD GLU C 10 24.982 -0.412 11.899 1.00 0.00 C ATOM 149 OE1 GLU C 10 24.323 0.185 11.068 1.00 0.00 O ATOM 150 OE2 GLU C 10 25.408 0.095 12.924 1.00 0.00 O1- ATOM 0 H GLU C 10 26.112 0.189 9.248 1.00 0.00 H new ATOM 0 HA GLU C 10 27.632 -1.086 11.304 1.00 0.00 H new ATOM 0 HB2 GLU C 10 25.338 -1.741 9.488 1.00 0.00 H new ATOM 0 HB3 GLU C 10 26.235 -3.104 10.126 1.00 0.00 H new ATOM 0 HG2 GLU C 10 24.375 -2.467 11.660 1.00 0.00 H new ATOM 0 HG3 GLU C 10 25.929 -2.270 12.445 1.00 0.00 H new ATOM 157 N GLN C 11 28.338 -1.775 8.166 1.00 0.00 N ATOM 158 CA GLN C 11 29.328 -2.413 7.304 1.00 0.00 C ATOM 159 C GLN C 11 30.701 -1.766 7.472 1.00 0.00 C ATOM 160 O GLN C 11 31.723 -2.356 7.123 1.00 0.00 O ATOM 161 CB GLN C 11 28.881 -2.328 5.842 1.00 0.00 C ATOM 162 CG GLN C 11 27.714 -3.295 5.606 1.00 0.00 C ATOM 163 CD GLN C 11 27.158 -3.115 4.196 1.00 0.00 C ATOM 164 OE1 GLN C 11 26.215 -3.803 3.808 1.00 0.00 O ATOM 165 NE2 GLN C 11 27.690 -2.226 3.402 1.00 0.00 N ATOM 0 H GLN C 11 27.645 -1.212 7.673 1.00 0.00 H new ATOM 0 HA GLN C 11 29.409 -3.460 7.595 1.00 0.00 H new ATOM 0 HB2 GLN C 11 28.577 -1.309 5.602 1.00 0.00 H new ATOM 0 HB3 GLN C 11 29.712 -2.576 5.182 1.00 0.00 H new ATOM 0 HG2 GLN C 11 28.050 -4.323 5.744 1.00 0.00 H new ATOM 0 HG3 GLN C 11 26.929 -3.115 6.340 1.00 0.00 H new ATOM 0 HE21 GLN C 11 28.472 -1.656 3.725 1.00 0.00 H new ATOM 0 HE22 GLN C 11 27.324 -2.101 2.458 1.00 0.00 H new ATOM 174 N LEU C 12 30.719 -0.549 8.004 1.00 0.00 N ATOM 175 CA LEU C 12 31.970 0.171 8.209 1.00 0.00 C ATOM 176 C LEU C 12 32.943 -0.673 9.021 1.00 0.00 C ATOM 177 O LEU C 12 32.536 -1.466 9.872 1.00 0.00 O ATOM 178 CB LEU C 12 31.697 1.477 8.953 1.00 0.00 C ATOM 179 CG LEU C 12 32.448 2.629 8.277 1.00 0.00 C ATOM 180 CD1 LEU C 12 31.864 2.872 6.880 1.00 0.00 C ATOM 181 CD2 LEU C 12 32.304 3.908 9.113 1.00 0.00 C ATOM 0 H LEU C 12 29.885 -0.042 8.300 1.00 0.00 H new ATOM 0 HA LEU C 12 32.410 0.385 7.235 1.00 0.00 H new ATOM 0 HB2 LEU C 12 30.627 1.684 8.961 1.00 0.00 H new ATOM 0 HB3 LEU C 12 32.012 1.386 9.993 1.00 0.00 H new ATOM 0 HG LEU C 12 33.503 2.367 8.195 1.00 0.00 H new ATOM 0 HD11 LEU C 12 32.399 3.692 6.400 1.00 0.00 H new ATOM 0 HD12 LEU C 12 31.969 1.969 6.279 1.00 0.00 H new ATOM 0 HD13 LEU C 12 30.808 3.129 6.967 1.00 0.00 H new ATOM 0 HD21 LEU C 12 32.840 4.723 8.627 1.00 0.00 H new ATOM 0 HD22 LEU C 12 31.249 4.169 9.200 1.00 0.00 H new ATOM 0 HD23 LEU C 12 32.720 3.742 10.107 1.00 0.00 H new ATOM 193 N THR C 13 34.232 -0.496 8.756 1.00 0.00 N ATOM 194 CA THR C 13 35.245 -1.249 9.472 1.00 0.00 C ATOM 195 C THR C 13 35.450 -0.681 10.862 1.00 0.00 C ATOM 196 O THR C 13 35.074 0.457 11.146 1.00 0.00 O ATOM 197 CB THR C 13 36.571 -1.216 8.721 1.00 0.00 C ATOM 198 OG1 THR C 13 37.043 0.117 8.653 1.00 0.00 O ATOM 199 CG2 THR C 13 36.366 -1.759 7.314 1.00 0.00 C ATOM 0 H THR C 13 34.594 0.155 8.059 1.00 0.00 H new ATOM 0 HA THR C 13 34.899 -2.280 9.550 1.00 0.00 H new ATOM 0 HB THR C 13 37.303 -1.830 9.245 1.00 0.00 H new ATOM 0 HG1 THR C 13 38.023 0.116 8.632 1.00 0.00 H new ATOM 0 HG21 THR C 13 37.313 -1.737 6.774 1.00 0.00 H new ATOM 0 HG22 THR C 13 36.004 -2.786 7.369 1.00 0.00 H new ATOM 0 HG23 THR C 13 35.635 -1.144 6.790 1.00 0.00 H new ATOM 207 N GLU C 14 36.052 -1.482 11.721 1.00 0.00 N ATOM 208 CA GLU C 14 36.310 -1.062 13.077 1.00 0.00 C ATOM 209 C GLU C 14 37.287 0.103 13.093 1.00 0.00 C ATOM 210 O GLU C 14 37.148 1.041 13.878 1.00 0.00 O ATOM 211 CB GLU C 14 36.867 -2.235 13.878 1.00 0.00 C ATOM 212 CG GLU C 14 37.016 -1.815 15.331 1.00 0.00 C ATOM 213 CD GLU C 14 37.457 -3.002 16.174 1.00 0.00 C ATOM 214 OE1 GLU C 14 37.648 -4.066 15.607 1.00 0.00 O ATOM 215 OE2 GLU C 14 37.591 -2.835 17.374 1.00 0.00 O1- ATOM 0 H GLU C 14 36.370 -2.426 11.500 1.00 0.00 H new ATOM 0 HA GLU C 14 35.377 -0.731 13.532 1.00 0.00 H new ATOM 0 HB2 GLU C 14 36.200 -3.094 13.801 1.00 0.00 H new ATOM 0 HB3 GLU C 14 37.832 -2.543 13.474 1.00 0.00 H new ATOM 0 HG2 GLU C 14 37.746 -1.010 15.412 1.00 0.00 H new ATOM 0 HG3 GLU C 14 36.069 -1.425 15.704 1.00 0.00 H new ATOM 222 N GLU C 15 38.275 0.029 12.220 1.00 0.00 N ATOM 223 CA GLU C 15 39.286 1.073 12.130 1.00 0.00 C ATOM 224 C GLU C 15 38.657 2.400 11.722 1.00 0.00 C ATOM 225 O GLU C 15 38.972 3.443 12.295 1.00 0.00 O ATOM 226 CB GLU C 15 40.359 0.672 11.112 1.00 0.00 C ATOM 227 CG GLU C 15 41.460 1.729 11.082 1.00 0.00 C ATOM 228 CD GLU C 15 42.555 1.315 10.104 1.00 0.00 C ATOM 229 OE1 GLU C 15 43.415 0.545 10.497 1.00 0.00 O ATOM 230 OE2 GLU C 15 42.515 1.773 8.973 1.00 0.00 O1- ATOM 0 H GLU C 15 38.401 -0.741 11.563 1.00 0.00 H new ATOM 0 HA GLU C 15 39.745 1.195 13.111 1.00 0.00 H new ATOM 0 HB2 GLU C 15 40.780 -0.298 11.376 1.00 0.00 H new ATOM 0 HB3 GLU C 15 39.914 0.568 10.122 1.00 0.00 H new ATOM 0 HG2 GLU C 15 41.043 2.692 10.787 1.00 0.00 H new ATOM 0 HG3 GLU C 15 41.881 1.856 12.079 1.00 0.00 H new ATOM 237 N GLN C 16 37.766 2.361 10.737 1.00 0.00 N ATOM 238 CA GLN C 16 37.109 3.580 10.283 1.00 0.00 C ATOM 239 C GLN C 16 36.277 4.168 11.412 1.00 0.00 C ATOM 240 O GLN C 16 36.255 5.381 11.622 1.00 0.00 O ATOM 241 CB GLN C 16 36.217 3.279 9.075 1.00 0.00 C ATOM 242 CG GLN C 16 37.099 2.970 7.864 1.00 0.00 C ATOM 243 CD GLN C 16 36.251 2.458 6.704 1.00 0.00 C ATOM 244 OE1 GLN C 16 35.099 2.863 6.547 1.00 0.00 O ATOM 245 NE2 GLN C 16 36.760 1.587 5.877 1.00 0.00 N ATOM 0 H GLN C 16 37.486 1.513 10.245 1.00 0.00 H new ATOM 0 HA GLN C 16 37.869 4.303 9.986 1.00 0.00 H new ATOM 0 HB2 GLN C 16 35.565 2.432 9.291 1.00 0.00 H new ATOM 0 HB3 GLN C 16 35.572 4.132 8.862 1.00 0.00 H new ATOM 0 HG2 GLN C 16 37.638 3.868 7.560 1.00 0.00 H new ATOM 0 HG3 GLN C 16 37.847 2.224 8.132 1.00 0.00 H new ATOM 0 HE21 GLN C 16 37.715 1.254 6.011 1.00 0.00 H new ATOM 0 HE22 GLN C 16 36.203 1.239 5.097 1.00 0.00 H new ATOM 254 N LYS C 17 35.604 3.292 12.146 1.00 0.00 N ATOM 255 CA LYS C 17 34.780 3.717 13.266 1.00 0.00 C ATOM 256 C LYS C 17 35.636 4.370 14.337 1.00 0.00 C ATOM 257 O LYS C 17 35.242 5.373 14.933 1.00 0.00 O ATOM 258 CB LYS C 17 34.047 2.507 13.851 1.00 0.00 C ATOM 259 CG LYS C 17 32.983 2.021 12.859 1.00 0.00 C ATOM 260 CD LYS C 17 31.627 2.652 13.190 1.00 0.00 C ATOM 261 CE LYS C 17 30.930 1.839 14.285 1.00 0.00 C ATOM 262 NZ LYS C 17 29.553 2.364 14.487 1.00 0.00 N1+ ATOM 0 H LYS C 17 35.613 2.285 11.985 1.00 0.00 H new ATOM 0 HA LYS C 17 34.052 4.446 12.912 1.00 0.00 H new ATOM 0 HB2 LYS C 17 34.756 1.706 14.061 1.00 0.00 H new ATOM 0 HB3 LYS C 17 33.580 2.775 14.799 1.00 0.00 H new ATOM 0 HG2 LYS C 17 33.276 2.283 11.842 1.00 0.00 H new ATOM 0 HG3 LYS C 17 32.907 0.934 12.899 1.00 0.00 H new ATOM 0 HD2 LYS C 17 31.766 3.681 13.521 1.00 0.00 H new ATOM 0 HD3 LYS C 17 31.003 2.686 12.297 1.00 0.00 H new ATOM 0 HE2 LYS C 17 30.893 0.786 14.004 1.00 0.00 H new ATOM 0 HE3 LYS C 17 31.495 1.901 15.215 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 29.077 1.814 15.230 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 29.601 3.363 14.773 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 29.017 2.283 13.599 1.00 0.00 H new ATOM 276 N ASN C 18 36.805 3.798 14.588 1.00 0.00 N ATOM 277 CA ASN C 18 37.689 4.345 15.601 1.00 0.00 C ATOM 278 C ASN C 18 38.200 5.728 15.202 1.00 0.00 C ATOM 279 O ASN C 18 38.313 6.623 16.038 1.00 0.00 O ATOM 280 CB ASN C 18 38.872 3.401 15.835 1.00 0.00 C ATOM 281 CG ASN C 18 38.394 2.127 16.528 1.00 0.00 C ATOM 282 OD1 ASN C 18 37.501 2.179 17.372 1.00 0.00 O ATOM 283 ND2 ASN C 18 38.932 0.979 16.215 1.00 0.00 N ATOM 0 H ASN C 18 37.158 2.968 14.111 1.00 0.00 H new ATOM 0 HA ASN C 18 37.119 4.446 16.524 1.00 0.00 H new ATOM 0 HB2 ASN C 18 39.343 3.153 14.884 1.00 0.00 H new ATOM 0 HB3 ASN C 18 39.627 3.896 16.446 1.00 0.00 H new ATOM 0 HD21 ASN C 18 38.612 0.125 16.671 1.00 0.00 H new ATOM 0 HD22 ASN C 18 39.673 0.937 15.515 1.00 0.00 H new ATOM 290 N GLU C 19 38.515 5.891 13.920 1.00 0.00 N ATOM 291 CA GLU C 19 39.021 7.164 13.419 1.00 0.00 C ATOM 292 C GLU C 19 37.989 8.272 13.602 1.00 0.00 C ATOM 293 O GLU C 19 38.329 9.395 13.971 1.00 0.00 O ATOM 294 CB GLU C 19 39.368 7.028 11.934 1.00 0.00 C ATOM 295 CG GLU C 19 40.643 6.196 11.787 1.00 0.00 C ATOM 296 CD GLU C 19 41.867 7.101 11.874 1.00 0.00 C ATOM 297 OE1 GLU C 19 42.346 7.316 12.976 1.00 0.00 O ATOM 298 OE2 GLU C 19 42.310 7.563 10.836 1.00 0.00 O1- ATOM 0 H GLU C 19 38.429 5.161 13.213 1.00 0.00 H new ATOM 0 HA GLU C 19 39.914 7.427 13.986 1.00 0.00 H new ATOM 0 HB2 GLU C 19 38.546 6.553 11.399 1.00 0.00 H new ATOM 0 HB3 GLU C 19 39.510 8.013 11.490 1.00 0.00 H new ATOM 0 HG2 GLU C 19 40.685 5.437 12.569 1.00 0.00 H new ATOM 0 HG3 GLU C 19 40.636 5.670 10.832 1.00 0.00 H new ATOM 305 N PHE C 20 36.729 7.945 13.344 1.00 0.00 N ATOM 306 CA PHE C 20 35.650 8.913 13.485 1.00 0.00 C ATOM 307 C PHE C 20 35.322 9.161 14.958 1.00 0.00 C ATOM 308 O PHE C 20 35.034 10.288 15.358 1.00 0.00 O ATOM 309 CB PHE C 20 34.405 8.405 12.765 1.00 0.00 C ATOM 310 CG PHE C 20 33.234 8.486 13.705 1.00 0.00 C ATOM 311 CD1 PHE C 20 32.636 9.720 13.975 1.00 0.00 C ATOM 312 CD2 PHE C 20 32.754 7.325 14.314 1.00 0.00 C ATOM 313 CE1 PHE C 20 31.550 9.793 14.852 1.00 0.00 C ATOM 314 CE2 PHE C 20 31.670 7.396 15.189 1.00 0.00 C ATOM 315 CZ PHE C 20 31.066 8.629 15.461 1.00 0.00 C ATOM 0 H PHE C 20 36.430 7.019 13.037 1.00 0.00 H new ATOM 0 HA PHE C 20 35.976 9.854 13.041 1.00 0.00 H new ATOM 0 HB2 PHE C 20 34.215 9.002 11.873 1.00 0.00 H new ATOM 0 HB3 PHE C 20 34.553 7.377 12.435 1.00 0.00 H new ATOM 0 HD1 PHE C 20 33.013 10.617 13.506 1.00 0.00 H new ATOM 0 HD2 PHE C 20 33.221 6.373 14.108 1.00 0.00 H new ATOM 0 HE1 PHE C 20 31.085 10.746 15.059 1.00 0.00 H new ATOM 0 HE2 PHE C 20 31.296 6.498 15.658 1.00 0.00 H new ATOM 0 HZ PHE C 20 30.228 8.682 16.140 1.00 0.00 H new ATOM 325 N LYS C 21 35.360 8.100 15.758 1.00 0.00 N ATOM 326 CA LYS C 21 35.058 8.219 17.182 1.00 0.00 C ATOM 327 C LYS C 21 36.016 9.205 17.846 1.00 0.00 C ATOM 328 O LYS C 21 35.606 10.015 18.679 1.00 0.00 O ATOM 329 CB LYS C 21 35.181 6.848 17.854 1.00 0.00 C ATOM 330 CG LYS C 21 34.760 6.951 19.327 1.00 0.00 C ATOM 331 CD LYS C 21 34.778 5.560 19.979 1.00 0.00 C ATOM 332 CE LYS C 21 36.184 5.239 20.498 1.00 0.00 C ATOM 333 NZ LYS C 21 36.432 5.988 21.764 1.00 0.00 N1+ ATOM 0 H LYS C 21 35.594 7.156 15.450 1.00 0.00 H new ATOM 0 HA LYS C 21 34.038 8.588 17.295 1.00 0.00 H new ATOM 0 HB2 LYS C 21 34.554 6.122 17.337 1.00 0.00 H new ATOM 0 HB3 LYS C 21 36.208 6.489 17.784 1.00 0.00 H new ATOM 0 HG2 LYS C 21 35.435 7.620 19.860 1.00 0.00 H new ATOM 0 HG3 LYS C 21 33.761 7.382 19.399 1.00 0.00 H new ATOM 0 HD2 LYS C 21 34.062 5.526 20.800 1.00 0.00 H new ATOM 0 HD3 LYS C 21 34.469 4.806 19.255 1.00 0.00 H new ATOM 0 HE2 LYS C 21 36.283 4.168 20.672 1.00 0.00 H new ATOM 0 HE3 LYS C 21 36.930 5.511 19.751 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 37.252 5.578 22.255 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 36.624 6.986 21.545 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 35.594 5.923 22.376 1.00 0.00 H new ATOM 347 N ALA C 22 37.291 9.134 17.474 1.00 0.00 N ATOM 348 CA ALA C 22 38.292 10.030 18.044 1.00 0.00 C ATOM 349 C ALA C 22 37.946 11.480 17.722 1.00 0.00 C ATOM 350 O ALA C 22 38.064 12.363 18.574 1.00 0.00 O ATOM 351 CB ALA C 22 39.673 9.697 17.475 1.00 0.00 C ATOM 0 H ALA C 22 37.653 8.472 16.787 1.00 0.00 H new ATOM 0 HA ALA C 22 38.304 9.898 19.126 1.00 0.00 H new ATOM 0 HB1 ALA C 22 40.415 10.370 17.905 1.00 0.00 H new ATOM 0 HB2 ALA C 22 39.930 8.667 17.723 1.00 0.00 H new ATOM 0 HB3 ALA C 22 39.659 9.817 16.392 1.00 0.00 H new ATOM 357 N ALA C 23 37.512 11.719 16.488 1.00 0.00 N ATOM 358 CA ALA C 23 37.144 13.066 16.068 1.00 0.00 C ATOM 359 C ALA C 23 35.968 13.578 16.891 1.00 0.00 C ATOM 360 O ALA C 23 35.924 14.746 17.272 1.00 0.00 O ATOM 361 CB ALA C 23 36.769 13.071 14.583 1.00 0.00 C ATOM 0 H ALA C 23 37.407 11.004 15.768 1.00 0.00 H new ATOM 0 HA ALA C 23 38.001 13.721 16.227 1.00 0.00 H new ATOM 0 HB1 ALA C 23 36.496 14.082 14.280 1.00 0.00 H new ATOM 0 HB2 ALA C 23 37.620 12.732 13.992 1.00 0.00 H new ATOM 0 HB3 ALA C 23 35.924 12.402 14.419 1.00 0.00 H new ATOM 367 N PHE C 24 35.013 12.693 17.157 1.00 0.00 N ATOM 368 CA PHE C 24 33.834 13.066 17.929 1.00 0.00 C ATOM 369 C PHE C 24 34.248 13.581 19.300 1.00 0.00 C ATOM 370 O PHE C 24 33.756 14.609 19.757 1.00 0.00 O ATOM 371 CB PHE C 24 32.903 11.860 18.091 1.00 0.00 C ATOM 372 CG PHE C 24 31.653 12.277 18.835 1.00 0.00 C ATOM 373 CD1 PHE C 24 30.626 12.945 18.155 1.00 0.00 C ATOM 374 CD2 PHE C 24 31.515 11.988 20.199 1.00 0.00 C ATOM 375 CE1 PHE C 24 29.463 13.323 18.837 1.00 0.00 C ATOM 376 CE2 PHE C 24 30.352 12.369 20.882 1.00 0.00 C ATOM 377 CZ PHE C 24 29.326 13.035 20.200 1.00 0.00 C ATOM 0 H PHE C 24 35.032 11.720 16.852 1.00 0.00 H new ATOM 0 HA PHE C 24 33.304 13.855 17.395 1.00 0.00 H new ATOM 0 HB2 PHE C 24 32.639 11.458 17.113 1.00 0.00 H new ATOM 0 HB3 PHE C 24 33.413 11.065 18.635 1.00 0.00 H new ATOM 0 HD1 PHE C 24 30.732 13.169 17.104 1.00 0.00 H new ATOM 0 HD2 PHE C 24 32.305 11.472 20.724 1.00 0.00 H new ATOM 0 HE1 PHE C 24 28.672 13.837 18.311 1.00 0.00 H new ATOM 0 HE2 PHE C 24 30.247 12.149 21.934 1.00 0.00 H new ATOM 0 HZ PHE C 24 28.429 13.326 20.726 1.00 0.00 H new ATOM 387 N ASP C 25 35.160 12.862 19.949 1.00 0.00 N ATOM 388 CA ASP C 25 35.630 13.266 21.269 1.00 0.00 C ATOM 389 C ASP C 25 36.253 14.661 21.200 1.00 0.00 C ATOM 390 O ASP C 25 35.994 15.512 22.052 1.00 0.00 O ATOM 391 CB ASP C 25 36.665 12.261 21.781 1.00 0.00 C ATOM 392 CG ASP C 25 37.052 12.598 23.218 1.00 0.00 C ATOM 393 OD1 ASP C 25 36.647 13.647 23.690 1.00 0.00 O ATOM 394 OD2 ASP C 25 37.746 11.799 23.824 1.00 0.00 O1- ATOM 0 H ASP C 25 35.583 12.007 19.587 1.00 0.00 H new ATOM 0 HA ASP C 25 34.783 13.290 21.954 1.00 0.00 H new ATOM 0 HB2 ASP C 25 36.258 11.251 21.732 1.00 0.00 H new ATOM 0 HB3 ASP C 25 37.549 12.280 21.143 1.00 0.00 H new ATOM 399 N ILE C 26 37.067 14.896 20.173 1.00 0.00 N ATOM 400 CA ILE C 26 37.701 16.192 19.994 1.00 0.00 C ATOM 401 C ILE C 26 36.661 17.272 19.704 1.00 0.00 C ATOM 402 O ILE C 26 36.730 18.374 20.247 1.00 0.00 O ATOM 403 CB ILE C 26 38.712 16.117 18.855 1.00 0.00 C ATOM 404 CG1 ILE C 26 39.890 15.246 19.293 1.00 0.00 C ATOM 405 CG2 ILE C 26 39.202 17.523 18.527 1.00 0.00 C ATOM 406 CD1 ILE C 26 40.778 14.941 18.090 1.00 0.00 C ATOM 0 H ILE C 26 37.300 14.207 19.458 1.00 0.00 H new ATOM 0 HA ILE C 26 38.216 16.457 20.917 1.00 0.00 H new ATOM 0 HB ILE C 26 38.248 15.682 17.970 1.00 0.00 H new ATOM 0 HG12 ILE C 26 40.467 15.758 20.063 1.00 0.00 H new ATOM 0 HG13 ILE C 26 39.525 14.318 19.733 1.00 0.00 H new ATOM 0 HG21 ILE C 26 39.925 17.476 17.713 1.00 0.00 H new ATOM 0 HG22 ILE C 26 38.357 18.142 18.226 1.00 0.00 H new ATOM 0 HG23 ILE C 26 39.675 17.958 19.407 1.00 0.00 H new ATOM 0 HD11 ILE C 26 41.617 14.320 18.405 1.00 0.00 H new ATOM 0 HD12 ILE C 26 40.198 14.411 17.335 1.00 0.00 H new ATOM 0 HD13 ILE C 26 41.155 15.874 17.670 1.00 0.00 H new ATOM 418 N PHE C 27 35.696 16.948 18.848 1.00 0.00 N ATOM 419 CA PHE C 27 34.643 17.900 18.496 1.00 0.00 C ATOM 420 C PHE C 27 33.861 18.335 19.734 1.00 0.00 C ATOM 421 O PHE C 27 33.504 19.504 19.870 1.00 0.00 O ATOM 422 CB PHE C 27 33.682 17.274 17.479 1.00 0.00 C ATOM 423 CG PHE C 27 33.987 17.780 16.086 1.00 0.00 C ATOM 424 CD1 PHE C 27 33.502 19.030 15.678 1.00 0.00 C ATOM 425 CD2 PHE C 27 34.734 16.998 15.197 1.00 0.00 C ATOM 426 CE1 PHE C 27 33.767 19.497 14.386 1.00 0.00 C ATOM 427 CE2 PHE C 27 34.997 17.465 13.903 1.00 0.00 C ATOM 428 CZ PHE C 27 34.512 18.714 13.498 1.00 0.00 C ATOM 0 H PHE C 27 35.620 16.041 18.387 1.00 0.00 H new ATOM 0 HA PHE C 27 35.118 18.777 18.057 1.00 0.00 H new ATOM 0 HB2 PHE C 27 33.770 16.188 17.506 1.00 0.00 H new ATOM 0 HB3 PHE C 27 32.653 17.517 17.744 1.00 0.00 H new ATOM 0 HD1 PHE C 27 32.923 19.633 16.362 1.00 0.00 H new ATOM 0 HD2 PHE C 27 35.108 16.034 15.509 1.00 0.00 H new ATOM 0 HE1 PHE C 27 33.396 20.462 14.074 1.00 0.00 H new ATOM 0 HE2 PHE C 27 35.574 16.862 13.218 1.00 0.00 H new ATOM 0 HZ PHE C 27 34.713 19.073 12.500 1.00 0.00 H new ATOM 438 N VAL C 28 33.598 17.394 20.632 1.00 0.00 N ATOM 439 CA VAL C 28 32.860 17.702 21.853 1.00 0.00 C ATOM 440 C VAL C 28 33.822 18.002 22.994 1.00 0.00 C ATOM 441 O VAL C 28 33.544 17.659 24.138 1.00 0.00 O ATOM 442 CB VAL C 28 31.941 16.540 22.240 1.00 0.00 C ATOM 443 CG1 VAL C 28 30.987 16.231 21.087 1.00 0.00 C ATOM 444 CG2 VAL C 28 32.779 15.302 22.549 1.00 0.00 C ATOM 0 H VAL C 28 33.881 16.418 20.541 1.00 0.00 H new ATOM 0 HA VAL C 28 32.247 18.583 21.664 1.00 0.00 H new ATOM 0 HB VAL C 28 31.365 16.819 23.123 1.00 0.00 H new ATOM 0 HG11 VAL C 28 30.335 15.404 21.366 1.00 0.00 H new ATOM 0 HG12 VAL C 28 30.383 17.112 20.869 1.00 0.00 H new ATOM 0 HG13 VAL C 28 31.562 15.957 20.202 1.00 0.00 H new ATOM 0 HG21 VAL C 28 32.122 14.477 22.824 1.00 0.00 H new ATOM 0 HG22 VAL C 28 33.359 15.026 21.668 1.00 0.00 H new ATOM 0 HG23 VAL C 28 33.456 15.518 23.376 1.00 0.00 H new ATOM 454 N LEU C 29 34.957 18.626 22.657 1.00 0.00 N ATOM 455 CA LEU C 29 35.981 18.970 23.648 1.00 0.00 C ATOM 456 C LEU C 29 35.359 19.431 24.962 1.00 0.00 C ATOM 457 O LEU C 29 35.268 20.630 25.227 1.00 0.00 O ATOM 458 CB LEU C 29 36.872 20.092 23.111 1.00 0.00 C ATOM 459 CG LEU C 29 35.997 21.245 22.616 1.00 0.00 C ATOM 460 CD1 LEU C 29 36.531 22.565 23.171 1.00 0.00 C ATOM 461 CD2 LEU C 29 36.025 21.286 21.091 1.00 0.00 C ATOM 0 H LEU C 29 35.189 18.903 21.703 1.00 0.00 H new ATOM 0 HA LEU C 29 36.569 18.071 23.834 1.00 0.00 H new ATOM 0 HB2 LEU C 29 37.545 20.442 23.893 1.00 0.00 H new ATOM 0 HB3 LEU C 29 37.495 19.719 22.298 1.00 0.00 H new ATOM 0 HG LEU C 29 34.972 21.096 22.957 1.00 0.00 H new ATOM 0 HD11 LEU C 29 35.908 23.387 22.818 1.00 0.00 H new ATOM 0 HD12 LEU C 29 36.511 22.536 24.260 1.00 0.00 H new ATOM 0 HD13 LEU C 29 37.556 22.715 22.831 1.00 0.00 H new ATOM 0 HD21 LEU C 29 35.402 22.107 20.738 1.00 0.00 H new ATOM 0 HD22 LEU C 29 37.049 21.435 20.750 1.00 0.00 H new ATOM 0 HD23 LEU C 29 35.644 20.345 20.695 1.00 0.00 H new ATOM 473 N GLY C 30 34.931 18.481 25.783 1.00 0.00 N ATOM 474 CA GLY C 30 34.322 18.820 27.059 1.00 0.00 C ATOM 475 C GLY C 30 33.011 19.575 26.847 1.00 0.00 C ATOM 476 O GLY C 30 32.641 20.422 27.657 1.00 0.00 O ATOM 0 H GLY C 30 34.994 17.481 25.590 1.00 0.00 H new ATOM 0 HA2 GLY C 30 34.136 17.911 27.632 1.00 0.00 H new ATOM 0 HA3 GLY C 30 35.009 19.431 27.645 1.00 0.00 H new ATOM 480 N ALA C 31 32.312 19.279 25.749 1.00 0.00 N ATOM 481 CA ALA C 31 31.060 19.963 25.464 1.00 0.00 C ATOM 482 C ALA C 31 30.178 19.986 26.702 1.00 0.00 C ATOM 483 O ALA C 31 30.001 18.969 27.374 1.00 0.00 O ATOM 484 CB ALA C 31 30.319 19.255 24.332 1.00 0.00 C ATOM 0 H ALA C 31 32.589 18.583 25.057 1.00 0.00 H new ATOM 0 HA ALA C 31 31.288 20.986 25.165 1.00 0.00 H new ATOM 0 HB1 ALA C 31 29.384 19.776 24.128 1.00 0.00 H new ATOM 0 HB2 ALA C 31 30.938 19.256 23.435 1.00 0.00 H new ATOM 0 HB3 ALA C 31 30.105 18.227 24.624 1.00 0.00 H new ATOM 490 N GLU C 32 29.636 21.159 27.001 1.00 0.00 N ATOM 491 CA GLU C 32 28.779 21.316 28.164 1.00 0.00 C ATOM 492 C GLU C 32 27.532 20.458 28.030 1.00 0.00 C ATOM 493 O GLU C 32 27.101 19.811 28.984 1.00 0.00 O ATOM 494 CB GLU C 32 28.391 22.789 28.322 1.00 0.00 C ATOM 495 CG GLU C 32 27.552 22.973 29.587 1.00 0.00 C ATOM 496 CD GLU C 32 27.227 24.450 29.782 1.00 0.00 C ATOM 497 OE1 GLU C 32 28.159 25.236 29.848 1.00 0.00 O ATOM 498 OE2 GLU C 32 26.055 24.774 29.859 1.00 0.00 O1- ATOM 0 H GLU C 32 29.775 22.010 26.457 1.00 0.00 H new ATOM 0 HA GLU C 32 29.325 20.990 29.049 1.00 0.00 H new ATOM 0 HB2 GLU C 32 29.288 23.406 28.377 1.00 0.00 H new ATOM 0 HB3 GLU C 32 27.828 23.121 27.450 1.00 0.00 H new ATOM 0 HG2 GLU C 32 26.631 22.396 29.510 1.00 0.00 H new ATOM 0 HG3 GLU C 32 28.095 22.593 30.453 1.00 0.00 H new ATOM 505 N ASP C 33 26.961 20.463 26.838 1.00 0.00 N ATOM 506 CA ASP C 33 25.757 19.682 26.572 1.00 0.00 C ATOM 507 C ASP C 33 26.110 18.245 26.196 1.00 0.00 C ATOM 508 O ASP C 33 25.240 17.373 26.167 1.00 0.00 O ATOM 509 CB ASP C 33 24.944 20.331 25.449 1.00 0.00 C ATOM 510 CG ASP C 33 25.762 20.375 24.164 1.00 0.00 C ATOM 511 OD1 ASP C 33 26.900 19.941 24.193 1.00 0.00 O ATOM 512 OD2 ASP C 33 25.235 20.844 23.168 1.00 0.00 O1- ATOM 0 H ASP C 33 27.307 20.995 26.040 1.00 0.00 H new ATOM 0 HA ASP C 33 25.158 19.662 27.482 1.00 0.00 H new ATOM 0 HB2 ASP C 33 24.025 19.769 25.284 1.00 0.00 H new ATOM 0 HB3 ASP C 33 24.653 21.341 25.738 1.00 0.00 H new ATOM 517 N GLY C 34 27.388 18.002 25.914 1.00 0.00 N ATOM 518 CA GLY C 34 27.843 16.663 25.550 1.00 0.00 C ATOM 519 C GLY C 34 27.534 16.369 24.091 1.00 0.00 C ATOM 520 O GLY C 34 27.640 15.230 23.635 1.00 0.00 O ATOM 0 H GLY C 34 28.122 18.710 25.930 1.00 0.00 H new ATOM 0 HA2 GLY C 34 28.916 16.578 25.724 1.00 0.00 H new ATOM 0 HA3 GLY C 34 27.357 15.923 26.186 1.00 0.00 H new ATOM 524 N CYS C 35 27.142 17.411 23.373 1.00 0.00 N ATOM 525 CA CYS C 35 26.802 17.277 21.960 1.00 0.00 C ATOM 526 C CYS C 35 27.458 18.381 21.139 1.00 0.00 C ATOM 527 O CYS C 35 27.916 19.384 21.686 1.00 0.00 O ATOM 528 CB CYS C 35 25.285 17.337 21.780 1.00 0.00 C ATOM 529 SG CYS C 35 24.519 15.975 22.693 1.00 0.00 S ATOM 0 H CYS C 35 27.051 18.357 23.742 1.00 0.00 H new ATOM 0 HA CYS C 35 27.172 16.314 21.609 1.00 0.00 H new ATOM 0 HB2 CYS C 35 24.902 18.292 22.140 1.00 0.00 H new ATOM 0 HB3 CYS C 35 25.030 17.270 20.722 1.00 0.00 H new ATOM 0 HG CYS C 35 23.229 16.024 22.544 1.00 0.00 H new ATOM 535 N ILE C 36 27.501 18.199 19.824 1.00 0.00 N ATOM 536 CA ILE C 36 28.100 19.202 18.959 1.00 0.00 C ATOM 537 C ILE C 36 27.037 20.189 18.508 1.00 0.00 C ATOM 538 O ILE C 36 26.058 19.812 17.868 1.00 0.00 O ATOM 539 CB ILE C 36 28.721 18.525 17.740 1.00 0.00 C ATOM 540 CG1 ILE C 36 29.766 17.517 18.209 1.00 0.00 C ATOM 541 CG2 ILE C 36 29.389 19.564 16.832 1.00 0.00 C ATOM 542 CD1 ILE C 36 30.253 16.683 17.021 1.00 0.00 C ATOM 0 H ILE C 36 27.134 17.379 19.342 1.00 0.00 H new ATOM 0 HA ILE C 36 28.876 19.734 19.510 1.00 0.00 H new ATOM 0 HB ILE C 36 27.937 18.019 17.176 1.00 0.00 H new ATOM 0 HG12 ILE C 36 30.606 18.038 18.668 1.00 0.00 H new ATOM 0 HG13 ILE C 36 29.339 16.866 18.972 1.00 0.00 H new ATOM 0 HG21 ILE C 36 29.827 19.064 15.968 1.00 0.00 H new ATOM 0 HG22 ILE C 36 28.644 20.285 16.495 1.00 0.00 H new ATOM 0 HG23 ILE C 36 30.172 20.082 17.386 1.00 0.00 H new ATOM 0 HD11 ILE C 36 30.999 15.965 17.362 1.00 0.00 H new ATOM 0 HD12 ILE C 36 29.410 16.150 16.581 1.00 0.00 H new ATOM 0 HD13 ILE C 36 30.697 17.340 16.273 1.00 0.00 H new ATOM 554 N SER C 37 27.246 21.451 18.851 1.00 0.00 N ATOM 555 CA SER C 37 26.311 22.505 18.488 1.00 0.00 C ATOM 556 C SER C 37 27.034 23.594 17.713 1.00 0.00 C ATOM 557 O SER C 37 28.180 23.419 17.301 1.00 0.00 O ATOM 558 CB SER C 37 25.672 23.096 19.746 1.00 0.00 C ATOM 559 OG SER C 37 26.675 23.717 20.539 1.00 0.00 O ATOM 0 H SER C 37 28.057 21.771 19.381 1.00 0.00 H new ATOM 0 HA SER C 37 25.527 22.082 17.860 1.00 0.00 H new ATOM 0 HB2 SER C 37 24.908 23.823 19.472 1.00 0.00 H new ATOM 0 HB3 SER C 37 25.175 22.312 20.317 1.00 0.00 H new ATOM 0 HG SER C 37 26.266 24.097 21.344 1.00 0.00 H new ATOM 565 N THR C 38 26.365 24.714 17.509 1.00 0.00 N ATOM 566 CA THR C 38 26.964 25.810 16.776 1.00 0.00 C ATOM 567 C THR C 38 28.198 26.328 17.510 1.00 0.00 C ATOM 568 O THR C 38 29.153 26.789 16.886 1.00 0.00 O ATOM 569 CB THR C 38 25.939 26.932 16.616 1.00 0.00 C ATOM 570 OG1 THR C 38 25.512 27.365 17.900 1.00 0.00 O ATOM 571 CG2 THR C 38 24.737 26.413 15.822 1.00 0.00 C ATOM 0 H THR C 38 25.415 24.887 17.838 1.00 0.00 H new ATOM 0 HA THR C 38 27.272 25.457 15.792 1.00 0.00 H new ATOM 0 HB THR C 38 26.391 27.769 16.083 1.00 0.00 H new ATOM 0 HG1 THR C 38 24.856 28.086 17.801 1.00 0.00 H new ATOM 0 HG21 THR C 38 24.005 27.212 15.707 1.00 0.00 H new ATOM 0 HG22 THR C 38 25.067 26.079 14.838 1.00 0.00 H new ATOM 0 HG23 THR C 38 24.282 25.578 16.355 1.00 0.00 H new ATOM 579 N LYS C 39 28.176 26.250 18.838 1.00 0.00 N ATOM 580 CA LYS C 39 29.306 26.721 19.633 1.00 0.00 C ATOM 581 C LYS C 39 30.549 25.862 19.370 1.00 0.00 C ATOM 582 O LYS C 39 31.652 26.380 19.154 1.00 0.00 O ATOM 583 CB LYS C 39 28.954 26.644 21.120 1.00 0.00 C ATOM 584 CG LYS C 39 27.758 27.549 21.421 1.00 0.00 C ATOM 585 CD LYS C 39 27.486 27.544 22.927 1.00 0.00 C ATOM 586 CE LYS C 39 26.228 28.363 23.225 1.00 0.00 C ATOM 587 NZ LYS C 39 25.029 27.627 22.729 1.00 0.00 N1+ ATOM 0 H LYS C 39 27.400 25.871 19.380 1.00 0.00 H new ATOM 0 HA LYS C 39 29.520 27.752 19.350 1.00 0.00 H new ATOM 0 HB2 LYS C 39 28.720 25.615 21.394 1.00 0.00 H new ATOM 0 HB3 LYS C 39 29.811 26.948 21.721 1.00 0.00 H new ATOM 0 HG2 LYS C 39 27.961 28.564 21.080 1.00 0.00 H new ATOM 0 HG3 LYS C 39 26.878 27.200 20.880 1.00 0.00 H new ATOM 0 HD2 LYS C 39 27.358 26.521 23.280 1.00 0.00 H new ATOM 0 HD3 LYS C 39 28.339 27.961 23.462 1.00 0.00 H new ATOM 0 HE2 LYS C 39 26.142 28.541 24.297 1.00 0.00 H new ATOM 0 HE3 LYS C 39 26.294 29.339 22.744 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 24.175 28.008 23.183 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 24.953 27.742 21.698 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 25.122 26.617 22.959 1.00 0.00 H new ATOM 601 N GLU C 40 30.365 24.542 19.381 1.00 0.00 N ATOM 602 CA GLU C 40 31.473 23.624 19.144 1.00 0.00 C ATOM 603 C GLU C 40 31.994 23.777 17.721 1.00 0.00 C ATOM 604 O GLU C 40 33.201 23.749 17.481 1.00 0.00 O ATOM 605 CB GLU C 40 31.019 22.182 19.383 1.00 0.00 C ATOM 606 CG GLU C 40 30.798 21.952 20.880 1.00 0.00 C ATOM 607 CD GLU C 40 32.131 21.990 21.620 1.00 0.00 C ATOM 608 OE1 GLU C 40 32.759 20.949 21.727 1.00 0.00 O1- ATOM 609 OE2 GLU C 40 32.505 23.061 22.068 1.00 0.00 O ATOM 0 H GLU C 40 29.467 24.090 19.550 1.00 0.00 H new ATOM 0 HA GLU C 40 32.279 23.863 19.838 1.00 0.00 H new ATOM 0 HB2 GLU C 40 30.097 21.985 18.835 1.00 0.00 H new ATOM 0 HB3 GLU C 40 31.769 21.487 19.005 1.00 0.00 H new ATOM 0 HG2 GLU C 40 30.131 22.716 21.278 1.00 0.00 H new ATOM 0 HG3 GLU C 40 30.312 20.989 21.040 1.00 0.00 H new ATOM 616 N LEU C 41 31.070 23.952 16.785 1.00 0.00 N ATOM 617 CA LEU C 41 31.439 24.123 15.388 1.00 0.00 C ATOM 618 C LEU C 41 32.316 25.357 15.223 1.00 0.00 C ATOM 619 O LEU C 41 33.287 25.345 14.469 1.00 0.00 O ATOM 620 CB LEU C 41 30.174 24.267 14.535 1.00 0.00 C ATOM 621 CG LEU C 41 30.018 23.056 13.611 1.00 0.00 C ATOM 622 CD1 LEU C 41 29.766 21.799 14.446 1.00 0.00 C ATOM 623 CD2 LEU C 41 28.830 23.290 12.673 1.00 0.00 C ATOM 0 H LEU C 41 30.067 23.979 16.967 1.00 0.00 H new ATOM 0 HA LEU C 41 31.999 23.247 15.059 1.00 0.00 H new ATOM 0 HB2 LEU C 41 29.300 24.356 15.180 1.00 0.00 H new ATOM 0 HB3 LEU C 41 30.228 25.181 13.943 1.00 0.00 H new ATOM 0 HG LEU C 41 30.929 22.923 13.028 1.00 0.00 H new ATOM 0 HD11 LEU C 41 29.655 20.939 13.785 1.00 0.00 H new ATOM 0 HD12 LEU C 41 30.608 21.634 15.118 1.00 0.00 H new ATOM 0 HD13 LEU C 41 28.855 21.927 15.030 1.00 0.00 H new ATOM 0 HD21 LEU C 41 28.713 22.431 12.012 1.00 0.00 H new ATOM 0 HD22 LEU C 41 27.922 23.421 13.262 1.00 0.00 H new ATOM 0 HD23 LEU C 41 29.008 24.185 12.077 1.00 0.00 H new ATOM 635 N GLY C 42 31.970 26.420 15.941 1.00 0.00 N ATOM 636 CA GLY C 42 32.730 27.660 15.872 1.00 0.00 C ATOM 637 C GLY C 42 34.177 27.439 16.299 1.00 0.00 C ATOM 638 O GLY C 42 35.099 27.997 15.708 1.00 0.00 O ATOM 0 H GLY C 42 31.171 26.447 16.575 1.00 0.00 H new ATOM 0 HA2 GLY C 42 32.703 28.051 14.855 1.00 0.00 H new ATOM 0 HA3 GLY C 42 32.268 28.410 16.514 1.00 0.00 H new ATOM 642 N LYS C 43 34.371 26.614 17.325 1.00 0.00 N ATOM 643 CA LYS C 43 35.716 26.325 17.813 1.00 0.00 C ATOM 644 C LYS C 43 36.519 25.591 16.747 1.00 0.00 C ATOM 645 O LYS C 43 37.648 25.965 16.425 1.00 0.00 O ATOM 646 CB LYS C 43 35.633 25.457 19.071 1.00 0.00 C ATOM 647 CG LYS C 43 36.059 26.272 20.290 1.00 0.00 C ATOM 648 CD LYS C 43 35.130 27.474 20.454 1.00 0.00 C ATOM 649 CE LYS C 43 34.792 27.651 21.934 1.00 0.00 C ATOM 650 NZ LYS C 43 36.042 27.564 22.740 1.00 0.00 N1+ ATOM 0 H LYS C 43 33.623 26.139 17.830 1.00 0.00 H new ATOM 0 HA LYS C 43 36.212 27.267 18.048 1.00 0.00 H new ATOM 0 HB2 LYS C 43 34.615 25.090 19.205 1.00 0.00 H new ATOM 0 HB3 LYS C 43 36.275 24.583 18.964 1.00 0.00 H new ATOM 0 HG2 LYS C 43 36.027 25.650 21.185 1.00 0.00 H new ATOM 0 HG3 LYS C 43 37.089 26.609 20.173 1.00 0.00 H new ATOM 0 HD2 LYS C 43 35.609 28.374 20.068 1.00 0.00 H new ATOM 0 HD3 LYS C 43 34.218 27.325 19.876 1.00 0.00 H new ATOM 0 HE2 LYS C 43 34.308 28.614 22.095 1.00 0.00 H new ATOM 0 HE3 LYS C 43 34.087 26.883 22.252 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 35.972 28.202 23.559 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 36.174 26.587 23.072 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 36.854 27.842 22.153 1.00 0.00 H new ATOM 664 N VAL C 44 35.917 24.541 16.205 1.00 0.00 N ATOM 665 CA VAL C 44 36.556 23.735 15.173 1.00 0.00 C ATOM 666 C VAL C 44 36.830 24.565 13.928 1.00 0.00 C ATOM 667 O VAL C 44 37.909 24.492 13.343 1.00 0.00 O ATOM 668 CB VAL C 44 35.627 22.590 14.793 1.00 0.00 C ATOM 669 CG1 VAL C 44 36.192 21.843 13.579 1.00 0.00 C ATOM 670 CG2 VAL C 44 35.481 21.621 15.971 1.00 0.00 C ATOM 0 H VAL C 44 34.982 24.226 16.464 1.00 0.00 H new ATOM 0 HA VAL C 44 37.501 23.358 15.564 1.00 0.00 H new ATOM 0 HB VAL C 44 34.648 22.998 14.542 1.00 0.00 H new ATOM 0 HG11 VAL C 44 35.523 21.025 13.312 1.00 0.00 H new ATOM 0 HG12 VAL C 44 36.279 22.530 12.737 1.00 0.00 H new ATOM 0 HG13 VAL C 44 37.176 21.442 13.824 1.00 0.00 H new ATOM 0 HG21 VAL C 44 34.815 20.805 15.691 1.00 0.00 H new ATOM 0 HG22 VAL C 44 36.459 21.217 16.233 1.00 0.00 H new ATOM 0 HG23 VAL C 44 35.065 22.150 16.828 1.00 0.00 H new ATOM 680 N MET C 45 35.838 25.342 13.522 1.00 0.00 N ATOM 681 CA MET C 45 35.972 26.167 12.338 1.00 0.00 C ATOM 682 C MET C 45 37.108 27.165 12.506 1.00 0.00 C ATOM 683 O MET C 45 37.826 27.470 11.556 1.00 0.00 O ATOM 684 CB MET C 45 34.660 26.903 12.053 1.00 0.00 C ATOM 685 CG MET C 45 33.620 25.913 11.519 1.00 0.00 C ATOM 686 SD MET C 45 34.099 25.365 9.860 1.00 0.00 S ATOM 687 CE MET C 45 32.838 24.082 9.671 1.00 0.00 C ATOM 0 H MET C 45 34.937 25.417 13.994 1.00 0.00 H new ATOM 0 HA MET C 45 36.203 25.520 11.492 1.00 0.00 H new ATOM 0 HB2 MET C 45 34.292 27.377 12.963 1.00 0.00 H new ATOM 0 HB3 MET C 45 34.828 27.697 11.326 1.00 0.00 H new ATOM 0 HG2 MET C 45 33.542 25.056 12.188 1.00 0.00 H new ATOM 0 HG3 MET C 45 32.637 26.384 11.488 1.00 0.00 H new ATOM 0 HE1 MET C 45 32.949 23.603 8.698 1.00 0.00 H new ATOM 0 HE2 MET C 45 32.956 23.337 10.458 1.00 0.00 H new ATOM 0 HE3 MET C 45 31.848 24.532 9.743 1.00 0.00 H new ATOM 697 N ARG C 46 37.259 27.678 13.716 1.00 0.00 N ATOM 698 CA ARG C 46 38.305 28.648 13.993 1.00 0.00 C ATOM 699 C ARG C 46 39.664 28.101 13.543 1.00 0.00 C ATOM 700 O ARG C 46 40.502 28.842 13.030 1.00 0.00 O ATOM 701 CB ARG C 46 38.330 28.943 15.496 1.00 0.00 C ATOM 702 CG ARG C 46 38.677 30.412 15.730 1.00 0.00 C ATOM 703 CD ARG C 46 38.754 30.678 17.235 1.00 0.00 C ATOM 704 NE ARG C 46 40.071 30.315 17.743 1.00 0.00 N ATOM 705 CZ ARG C 46 41.094 31.158 17.643 1.00 0.00 C ATOM 706 NH1 ARG C 46 40.920 32.327 17.087 1.00 0.00 N ATOM 707 NH2 ARG C 46 42.267 30.821 18.100 1.00 0.00 N1+ ATOM 0 H ARG C 46 36.674 27.441 14.517 1.00 0.00 H new ATOM 0 HA ARG C 46 38.102 29.567 13.444 1.00 0.00 H new ATOM 0 HB2 ARG C 46 37.360 28.715 15.937 1.00 0.00 H new ATOM 0 HB3 ARG C 46 39.063 28.304 15.989 1.00 0.00 H new ATOM 0 HG2 ARG C 46 39.629 30.653 15.257 1.00 0.00 H new ATOM 0 HG3 ARG C 46 37.923 31.053 15.273 1.00 0.00 H new ATOM 0 HD2 ARG C 46 38.556 31.731 17.436 1.00 0.00 H new ATOM 0 HD3 ARG C 46 37.985 30.104 17.753 1.00 0.00 H new ATOM 0 HE ARG C 46 40.209 29.404 18.180 1.00 0.00 H new ATOM 0 HH11 ARG C 46 40.001 32.591 16.731 1.00 0.00 H new ATOM 0 HH12 ARG C 46 41.703 32.976 17.009 1.00 0.00 H new ATOM 0 HH21 ARG C 46 42.402 29.909 18.536 1.00 0.00 H new ATOM 0 HH22 ARG C 46 43.050 31.470 18.022 1.00 0.00 H new ATOM 721 N MET C 47 39.866 26.795 13.726 1.00 0.00 N ATOM 722 CA MET C 47 41.120 26.159 13.322 1.00 0.00 C ATOM 723 C MET C 47 41.295 26.248 11.813 1.00 0.00 C ATOM 724 O MET C 47 42.396 26.480 11.310 1.00 0.00 O ATOM 725 CB MET C 47 41.130 24.687 13.746 1.00 0.00 C ATOM 726 CG MET C 47 41.234 24.589 15.266 1.00 0.00 C ATOM 727 SD MET C 47 40.995 22.867 15.777 1.00 0.00 S ATOM 728 CE MET C 47 42.522 22.190 15.078 1.00 0.00 C ATOM 0 H MET C 47 39.185 26.163 14.147 1.00 0.00 H new ATOM 0 HA MET C 47 41.942 26.681 13.812 1.00 0.00 H new ATOM 0 HB2 MET C 47 40.221 24.193 13.402 1.00 0.00 H new ATOM 0 HB3 MET C 47 41.969 24.170 13.281 1.00 0.00 H new ATOM 0 HG2 MET C 47 42.209 24.946 15.598 1.00 0.00 H new ATOM 0 HG3 MET C 47 40.484 25.226 15.735 1.00 0.00 H new ATOM 0 HE1 MET C 47 42.776 21.261 15.589 1.00 0.00 H new ATOM 0 HE2 MET C 47 42.379 21.992 14.016 1.00 0.00 H new ATOM 0 HE3 MET C 47 43.331 22.909 15.208 1.00 0.00 H new ATOM 738 N LEU C 48 40.194 26.060 11.104 1.00 0.00 N ATOM 739 CA LEU C 48 40.203 26.116 9.646 1.00 0.00 C ATOM 740 C LEU C 48 40.467 27.537 9.167 1.00 0.00 C ATOM 741 O LEU C 48 40.896 27.749 8.033 1.00 0.00 O ATOM 742 CB LEU C 48 38.861 25.627 9.090 1.00 0.00 C ATOM 743 CG LEU C 48 38.687 24.133 9.392 1.00 0.00 C ATOM 744 CD1 LEU C 48 37.284 23.688 8.977 1.00 0.00 C ATOM 745 CD2 LEU C 48 39.730 23.306 8.624 1.00 0.00 C ATOM 0 H LEU C 48 39.280 25.867 11.513 1.00 0.00 H new ATOM 0 HA LEU C 48 41.001 25.468 9.284 1.00 0.00 H new ATOM 0 HB2 LEU C 48 38.044 26.195 9.535 1.00 0.00 H new ATOM 0 HB3 LEU C 48 38.819 25.797 8.014 1.00 0.00 H new ATOM 0 HG LEU C 48 38.825 23.973 10.461 1.00 0.00 H new ATOM 0 HD11 LEU C 48 37.161 22.626 9.192 1.00 0.00 H new ATOM 0 HD12 LEU C 48 36.541 24.260 9.534 1.00 0.00 H new ATOM 0 HD13 LEU C 48 37.149 23.860 7.909 1.00 0.00 H new ATOM 0 HD21 LEU C 48 39.593 22.248 8.849 1.00 0.00 H new ATOM 0 HD22 LEU C 48 39.606 23.468 7.553 1.00 0.00 H new ATOM 0 HD23 LEU C 48 40.731 23.614 8.924 1.00 0.00 H new ATOM 757 N GLY C 49 40.198 28.508 10.036 1.00 0.00 N ATOM 758 CA GLY C 49 40.404 29.911 9.689 1.00 0.00 C ATOM 759 C GLY C 49 39.091 30.567 9.271 1.00 0.00 C ATOM 760 O GLY C 49 39.084 31.668 8.718 1.00 0.00 O ATOM 0 H GLY C 49 39.840 28.351 10.978 1.00 0.00 H new ATOM 0 HA2 GLY C 49 40.825 30.443 10.542 1.00 0.00 H new ATOM 0 HA3 GLY C 49 41.128 29.987 8.877 1.00 0.00 H new ATOM 764 N GLN C 50 37.981 29.882 9.541 1.00 0.00 N ATOM 765 CA GLN C 50 36.661 30.398 9.189 1.00 0.00 C ATOM 766 C GLN C 50 35.881 30.811 10.430 1.00 0.00 C ATOM 767 O GLN C 50 35.876 30.108 11.440 1.00 0.00 O ATOM 768 CB GLN C 50 35.869 29.332 8.430 1.00 0.00 C ATOM 769 CG GLN C 50 36.440 29.162 7.022 1.00 0.00 C ATOM 770 CD GLN C 50 36.142 30.403 6.187 1.00 0.00 C ATOM 771 OE1 GLN C 50 34.985 30.810 6.072 1.00 0.00 O ATOM 772 NE2 GLN C 50 37.118 31.033 5.596 1.00 0.00 N ATOM 0 H GLN C 50 37.970 28.972 10.001 1.00 0.00 H new ATOM 0 HA GLN C 50 36.803 31.276 8.558 1.00 0.00 H new ATOM 0 HB2 GLN C 50 35.913 28.384 8.966 1.00 0.00 H new ATOM 0 HB3 GLN C 50 34.819 29.618 8.374 1.00 0.00 H new ATOM 0 HG2 GLN C 50 37.516 28.998 7.074 1.00 0.00 H new ATOM 0 HG3 GLN C 50 36.006 28.282 6.548 1.00 0.00 H new ATOM 0 HE21 GLN C 50 38.076 30.695 5.692 1.00 0.00 H new ATOM 0 HE22 GLN C 50 36.924 31.864 5.037 1.00 0.00 H new ATOM 781 N ASN C 51 35.216 31.954 10.335 1.00 0.00 N ATOM 782 CA ASN C 51 34.419 32.465 11.443 1.00 0.00 C ATOM 783 C ASN C 51 33.108 33.052 10.929 1.00 0.00 C ATOM 784 O ASN C 51 32.936 34.272 10.897 1.00 0.00 O ATOM 785 CB ASN C 51 35.199 33.545 12.195 1.00 0.00 C ATOM 786 CG ASN C 51 34.461 33.930 13.472 1.00 0.00 C ATOM 787 OD1 ASN C 51 33.234 34.010 13.480 1.00 0.00 O ATOM 788 ND2 ASN C 51 35.142 34.175 14.558 1.00 0.00 N ATOM 0 H ASN C 51 35.212 32.545 9.504 1.00 0.00 H new ATOM 0 HA ASN C 51 34.199 31.639 12.119 1.00 0.00 H new ATOM 0 HB2 ASN C 51 36.197 33.181 12.438 1.00 0.00 H new ATOM 0 HB3 ASN C 51 35.325 34.422 11.560 1.00 0.00 H new ATOM 0 HD21 ASN C 51 34.657 34.434 15.417 1.00 0.00 H new ATOM 0 HD22 ASN C 51 36.160 34.108 14.548 1.00 0.00 H new ATOM 795 N PRO C 52 32.185 32.216 10.529 1.00 0.00 N ATOM 796 CA PRO C 52 30.865 32.669 10.009 1.00 0.00 C ATOM 797 C PRO C 52 29.922 33.095 11.137 1.00 0.00 C ATOM 798 O PRO C 52 30.307 33.128 12.307 1.00 0.00 O ATOM 799 CB PRO C 52 30.347 31.440 9.269 1.00 0.00 C ATOM 800 CG PRO C 52 30.912 30.292 10.023 1.00 0.00 C ATOM 801 CD PRO C 52 32.286 30.742 10.527 1.00 0.00 C ATOM 0 HA PRO C 52 30.939 33.550 9.372 1.00 0.00 H new ATOM 0 HB2 PRO C 52 29.257 31.412 9.259 1.00 0.00 H new ATOM 0 HB3 PRO C 52 30.676 31.434 8.230 1.00 0.00 H new ATOM 0 HG2 PRO C 52 30.264 30.017 10.855 1.00 0.00 H new ATOM 0 HG3 PRO C 52 31.001 29.413 9.384 1.00 0.00 H new ATOM 0 HD2 PRO C 52 32.496 30.352 11.523 1.00 0.00 H new ATOM 0 HD3 PRO C 52 33.087 30.395 9.874 1.00 0.00 H new ATOM 809 N THR C 53 28.692 33.437 10.769 1.00 0.00 N ATOM 810 CA THR C 53 27.698 33.879 11.746 1.00 0.00 C ATOM 811 C THR C 53 27.064 32.686 12.484 1.00 0.00 C ATOM 812 O THR C 53 26.921 31.605 11.919 1.00 0.00 O ATOM 813 CB THR C 53 26.610 34.662 11.010 1.00 0.00 C ATOM 814 OG1 THR C 53 26.035 33.831 10.015 1.00 0.00 O ATOM 815 CG2 THR C 53 27.228 35.891 10.345 1.00 0.00 C ATOM 0 H THR C 53 28.358 33.418 9.805 1.00 0.00 H new ATOM 0 HA THR C 53 28.190 34.506 12.489 1.00 0.00 H new ATOM 0 HB THR C 53 25.843 34.979 11.717 1.00 0.00 H new ATOM 0 HG1 THR C 53 25.335 34.326 9.540 1.00 0.00 H new ATOM 0 HG21 THR C 53 26.453 36.449 9.820 1.00 0.00 H new ATOM 0 HG22 THR C 53 27.681 36.527 11.105 1.00 0.00 H new ATOM 0 HG23 THR C 53 27.991 35.575 9.634 1.00 0.00 H new ATOM 823 N PRO C 54 26.660 32.858 13.720 1.00 0.00 N ATOM 824 CA PRO C 54 26.018 31.756 14.500 1.00 0.00 C ATOM 825 C PRO C 54 24.672 31.345 13.915 1.00 0.00 C ATOM 826 O PRO C 54 24.271 30.180 13.992 1.00 0.00 O ATOM 827 CB PRO C 54 25.833 32.351 15.900 1.00 0.00 C ATOM 828 CG PRO C 54 25.870 33.831 15.716 1.00 0.00 C ATOM 829 CD PRO C 54 26.768 34.096 14.509 1.00 0.00 C ATOM 0 HA PRO C 54 26.625 30.851 14.492 1.00 0.00 H new ATOM 0 HB2 PRO C 54 24.887 32.034 16.338 1.00 0.00 H new ATOM 0 HB3 PRO C 54 26.623 32.020 16.574 1.00 0.00 H new ATOM 0 HG2 PRO C 54 24.868 34.226 15.548 1.00 0.00 H new ATOM 0 HG3 PRO C 54 26.262 34.323 16.606 1.00 0.00 H new ATOM 0 HD2 PRO C 54 26.432 34.964 13.942 1.00 0.00 H new ATOM 0 HD3 PRO C 54 27.797 34.291 14.810 1.00 0.00 H new ATOM 837 N GLU C 55 23.971 32.314 13.343 1.00 0.00 N ATOM 838 CA GLU C 55 22.658 32.058 12.762 1.00 0.00 C ATOM 839 C GLU C 55 22.733 31.129 11.555 1.00 0.00 C ATOM 840 O GLU C 55 21.905 30.233 11.400 1.00 0.00 O ATOM 841 CB GLU C 55 22.025 33.378 12.331 1.00 0.00 C ATOM 842 CG GLU C 55 22.769 33.936 11.120 1.00 0.00 C ATOM 843 CD GLU C 55 22.361 35.384 10.872 1.00 0.00 C ATOM 844 OE1 GLU C 55 21.563 35.893 11.640 1.00 0.00 O ATOM 845 OE2 GLU C 55 22.852 35.959 9.915 1.00 0.00 O1- ATOM 0 H GLU C 55 24.287 33.281 13.268 1.00 0.00 H new ATOM 0 HA GLU C 55 22.053 31.570 13.526 1.00 0.00 H new ATOM 0 HB2 GLU C 55 20.974 33.225 12.085 1.00 0.00 H new ATOM 0 HB3 GLU C 55 22.059 34.094 13.152 1.00 0.00 H new ATOM 0 HG2 GLU C 55 23.845 33.877 11.286 1.00 0.00 H new ATOM 0 HG3 GLU C 55 22.549 33.333 10.239 1.00 0.00 H new ATOM 852 N GLU C 56 23.713 31.351 10.693 1.00 0.00 N ATOM 853 CA GLU C 56 23.843 30.521 9.504 1.00 0.00 C ATOM 854 C GLU C 56 24.371 29.151 9.900 1.00 0.00 C ATOM 855 O GLU C 56 24.041 28.142 9.277 1.00 0.00 O ATOM 856 CB GLU C 56 24.756 31.181 8.460 1.00 0.00 C ATOM 857 CG GLU C 56 26.224 30.902 8.783 1.00 0.00 C ATOM 858 CD GLU C 56 26.653 29.575 8.163 1.00 0.00 C ATOM 859 OE1 GLU C 56 26.259 29.311 7.038 1.00 0.00 O ATOM 860 OE2 GLU C 56 27.369 28.843 8.823 1.00 0.00 O1- ATOM 0 H GLU C 56 24.417 32.083 10.789 1.00 0.00 H new ATOM 0 HA GLU C 56 22.861 30.407 9.046 1.00 0.00 H new ATOM 0 HB2 GLU C 56 24.517 30.801 7.467 1.00 0.00 H new ATOM 0 HB3 GLU C 56 24.579 32.256 8.441 1.00 0.00 H new ATOM 0 HG2 GLU C 56 26.849 31.710 8.401 1.00 0.00 H new ATOM 0 HG3 GLU C 56 26.368 30.871 9.863 1.00 0.00 H new ATOM 867 N LEU C 57 25.166 29.116 10.965 1.00 0.00 N ATOM 868 CA LEU C 57 25.696 27.851 11.446 1.00 0.00 C ATOM 869 C LEU C 57 24.559 26.951 11.884 1.00 0.00 C ATOM 870 O LEU C 57 24.578 25.744 11.640 1.00 0.00 O ATOM 871 CB LEU C 57 26.649 28.084 12.623 1.00 0.00 C ATOM 872 CG LEU C 57 27.966 28.676 12.113 1.00 0.00 C ATOM 873 CD1 LEU C 57 28.772 29.198 13.303 1.00 0.00 C ATOM 874 CD2 LEU C 57 28.783 27.600 11.377 1.00 0.00 C ATOM 0 H LEU C 57 25.452 29.935 11.501 1.00 0.00 H new ATOM 0 HA LEU C 57 26.246 27.373 10.636 1.00 0.00 H new ATOM 0 HB2 LEU C 57 26.191 28.760 13.345 1.00 0.00 H new ATOM 0 HB3 LEU C 57 26.838 27.144 13.141 1.00 0.00 H new ATOM 0 HG LEU C 57 27.749 29.490 11.421 1.00 0.00 H new ATOM 0 HD11 LEU C 57 29.712 29.621 12.948 1.00 0.00 H new ATOM 0 HD12 LEU C 57 28.200 29.968 13.821 1.00 0.00 H new ATOM 0 HD13 LEU C 57 28.980 28.377 13.990 1.00 0.00 H new ATOM 0 HD21 LEU C 57 29.717 28.034 11.019 1.00 0.00 H new ATOM 0 HD22 LEU C 57 29.002 26.779 12.060 1.00 0.00 H new ATOM 0 HD23 LEU C 57 28.210 27.224 10.530 1.00 0.00 H new ATOM 886 N GLN C 58 23.564 27.543 12.531 1.00 0.00 N ATOM 887 CA GLN C 58 22.430 26.754 12.990 1.00 0.00 C ATOM 888 C GLN C 58 21.633 26.253 11.797 1.00 0.00 C ATOM 889 O GLN C 58 21.154 25.118 11.793 1.00 0.00 O ATOM 890 CB GLN C 58 21.501 27.555 13.909 1.00 0.00 C ATOM 891 CG GLN C 58 20.596 26.561 14.646 1.00 0.00 C ATOM 892 CD GLN C 58 19.338 27.245 15.162 1.00 0.00 C ATOM 893 OE1 GLN C 58 19.322 28.459 15.361 1.00 0.00 O ATOM 894 NE2 GLN C 58 18.277 26.523 15.397 1.00 0.00 N ATOM 0 H GLN C 58 23.518 28.539 12.745 1.00 0.00 H new ATOM 0 HA GLN C 58 22.831 25.916 13.561 1.00 0.00 H new ATOM 0 HB2 GLN C 58 22.082 28.142 14.620 1.00 0.00 H new ATOM 0 HB3 GLN C 58 20.903 28.258 13.329 1.00 0.00 H new ATOM 0 HG2 GLN C 58 20.322 25.747 13.975 1.00 0.00 H new ATOM 0 HG3 GLN C 58 21.141 26.117 15.479 1.00 0.00 H new ATOM 0 HE21 GLN C 58 18.297 25.517 15.230 1.00 0.00 H new ATOM 0 HE22 GLN C 58 17.427 26.965 15.748 1.00 0.00 H new ATOM 903 N GLU C 59 21.484 27.107 10.785 1.00 0.00 N ATOM 904 CA GLU C 59 20.732 26.735 9.594 1.00 0.00 C ATOM 905 C GLU C 59 21.394 25.548 8.890 1.00 0.00 C ATOM 906 O GLU C 59 20.709 24.629 8.441 1.00 0.00 O ATOM 907 CB GLU C 59 20.635 27.928 8.637 1.00 0.00 C ATOM 908 CG GLU C 59 19.719 28.997 9.242 1.00 0.00 C ATOM 909 CD GLU C 59 19.742 30.256 8.380 1.00 0.00 C ATOM 910 OE1 GLU C 59 20.595 30.342 7.512 1.00 0.00 O ATOM 911 OE2 GLU C 59 18.905 31.117 8.600 1.00 0.00 O1- ATOM 0 H GLU C 59 21.871 28.051 10.768 1.00 0.00 H new ATOM 0 HA GLU C 59 19.727 26.442 9.897 1.00 0.00 H new ATOM 0 HB2 GLU C 59 21.626 28.344 8.456 1.00 0.00 H new ATOM 0 HB3 GLU C 59 20.245 27.603 7.673 1.00 0.00 H new ATOM 0 HG2 GLU C 59 18.701 28.615 9.315 1.00 0.00 H new ATOM 0 HG3 GLU C 59 20.044 29.234 10.255 1.00 0.00 H new ATOM 918 N MET C 60 22.726 25.551 8.822 1.00 0.00 N ATOM 919 CA MET C 60 23.427 24.434 8.187 1.00 0.00 C ATOM 920 C MET C 60 23.135 23.139 8.920 1.00 0.00 C ATOM 921 O MET C 60 22.887 22.106 8.296 1.00 0.00 O ATOM 922 CB MET C 60 24.947 24.649 8.152 1.00 0.00 C ATOM 923 CG MET C 60 25.324 25.633 7.038 1.00 0.00 C ATOM 924 SD MET C 60 27.112 25.966 7.085 1.00 0.00 S ATOM 925 CE MET C 60 27.710 24.379 6.433 1.00 0.00 C ATOM 0 H MET C 60 23.327 26.290 9.187 1.00 0.00 H new ATOM 0 HA MET C 60 23.062 24.378 7.161 1.00 0.00 H new ATOM 0 HB2 MET C 60 25.289 25.031 9.114 1.00 0.00 H new ATOM 0 HB3 MET C 60 25.451 23.696 7.990 1.00 0.00 H new ATOM 0 HG2 MET C 60 25.047 25.221 6.068 1.00 0.00 H new ATOM 0 HG3 MET C 60 24.769 26.563 7.159 1.00 0.00 H new ATOM 0 HE1 MET C 60 28.749 24.482 6.120 1.00 0.00 H new ATOM 0 HE2 MET C 60 27.639 23.617 7.209 1.00 0.00 H new ATOM 0 HE3 MET C 60 27.101 24.084 5.578 1.00 0.00 H new ATOM 935 N ILE C 61 23.160 23.194 10.245 1.00 0.00 N ATOM 936 CA ILE C 61 22.888 22.003 11.035 1.00 0.00 C ATOM 937 C ILE C 61 21.459 21.535 10.813 1.00 0.00 C ATOM 938 O ILE C 61 21.202 20.344 10.673 1.00 0.00 O ATOM 939 CB ILE C 61 23.107 22.262 12.516 1.00 0.00 C ATOM 940 CG1 ILE C 61 24.597 22.512 12.761 1.00 0.00 C ATOM 941 CG2 ILE C 61 22.652 21.028 13.301 1.00 0.00 C ATOM 942 CD1 ILE C 61 24.813 22.956 14.205 1.00 0.00 C ATOM 0 H ILE C 61 23.362 24.034 10.787 1.00 0.00 H new ATOM 0 HA ILE C 61 23.581 21.227 10.710 1.00 0.00 H new ATOM 0 HB ILE C 61 22.537 23.133 12.840 1.00 0.00 H new ATOM 0 HG12 ILE C 61 25.166 21.604 12.561 1.00 0.00 H new ATOM 0 HG13 ILE C 61 24.965 23.276 12.076 1.00 0.00 H new ATOM 0 HG21 ILE C 61 22.803 21.199 14.367 1.00 0.00 H new ATOM 0 HG22 ILE C 61 21.595 20.844 13.109 1.00 0.00 H new ATOM 0 HG23 ILE C 61 23.234 20.162 12.986 1.00 0.00 H new ATOM 0 HD11 ILE C 61 25.875 23.133 14.376 1.00 0.00 H new ATOM 0 HD12 ILE C 61 24.257 23.875 14.390 1.00 0.00 H new ATOM 0 HD13 ILE C 61 24.461 22.177 14.882 1.00 0.00 H new ATOM 954 N ASP C 62 20.528 22.485 10.797 1.00 0.00 N ATOM 955 CA ASP C 62 19.120 22.157 10.606 1.00 0.00 C ATOM 956 C ASP C 62 18.896 21.463 9.265 1.00 0.00 C ATOM 957 O ASP C 62 18.135 20.499 9.178 1.00 0.00 O ATOM 958 CB ASP C 62 18.286 23.437 10.657 1.00 0.00 C ATOM 959 CG ASP C 62 18.236 23.973 12.083 1.00 0.00 C ATOM 960 OD1 ASP C 62 18.591 23.234 12.986 1.00 0.00 O ATOM 961 OD2 ASP C 62 17.845 25.116 12.252 1.00 0.00 O1- ATOM 0 H ASP C 62 20.721 23.480 10.913 1.00 0.00 H new ATOM 0 HA ASP C 62 18.815 21.479 11.403 1.00 0.00 H new ATOM 0 HB2 ASP C 62 18.716 24.187 9.993 1.00 0.00 H new ATOM 0 HB3 ASP C 62 17.276 23.237 10.300 1.00 0.00 H new ATOM 966 N GLU C 63 19.556 21.956 8.222 1.00 0.00 N ATOM 967 CA GLU C 63 19.407 21.367 6.895 1.00 0.00 C ATOM 968 C GLU C 63 19.931 19.933 6.876 1.00 0.00 C ATOM 969 O GLU C 63 19.320 19.045 6.281 1.00 0.00 O ATOM 970 CB GLU C 63 20.168 22.207 5.869 1.00 0.00 C ATOM 971 CG GLU C 63 19.451 23.545 5.676 1.00 0.00 C ATOM 972 CD GLU C 63 20.303 24.472 4.818 1.00 0.00 C ATOM 973 OE1 GLU C 63 21.469 24.167 4.628 1.00 0.00 O ATOM 974 OE2 GLU C 63 19.778 25.476 4.364 1.00 0.00 O1- ATOM 0 H GLU C 63 20.192 22.752 8.267 1.00 0.00 H new ATOM 0 HA GLU C 63 18.347 21.351 6.641 1.00 0.00 H new ATOM 0 HB2 GLU C 63 21.191 22.375 6.207 1.00 0.00 H new ATOM 0 HB3 GLU C 63 20.229 21.674 4.920 1.00 0.00 H new ATOM 0 HG2 GLU C 63 18.483 23.383 5.201 1.00 0.00 H new ATOM 0 HG3 GLU C 63 19.258 24.007 6.644 1.00 0.00 H new ATOM 981 N VAL C 64 21.067 19.716 7.530 1.00 0.00 N ATOM 982 CA VAL C 64 21.672 18.387 7.587 1.00 0.00 C ATOM 983 C VAL C 64 20.984 17.525 8.642 1.00 0.00 C ATOM 984 O VAL C 64 20.889 16.305 8.502 1.00 0.00 O ATOM 985 CB VAL C 64 23.159 18.513 7.916 1.00 0.00 C ATOM 986 CG1 VAL C 64 23.780 17.121 8.033 1.00 0.00 C ATOM 987 CG2 VAL C 64 23.862 19.295 6.803 1.00 0.00 C ATOM 0 H VAL C 64 21.587 20.439 8.027 1.00 0.00 H new ATOM 0 HA VAL C 64 21.551 17.909 6.615 1.00 0.00 H new ATOM 0 HB VAL C 64 23.277 19.040 8.863 1.00 0.00 H new ATOM 0 HG11 VAL C 64 24.840 17.214 8.268 1.00 0.00 H new ATOM 0 HG12 VAL C 64 23.280 16.565 8.826 1.00 0.00 H new ATOM 0 HG13 VAL C 64 23.663 16.590 7.088 1.00 0.00 H new ATOM 0 HG21 VAL C 64 24.923 19.386 7.036 1.00 0.00 H new ATOM 0 HG22 VAL C 64 23.742 18.768 5.856 1.00 0.00 H new ATOM 0 HG23 VAL C 64 23.422 20.289 6.723 1.00 0.00 H new ATOM 997 N ASP C 65 20.518 18.175 9.703 1.00 0.00 N ATOM 998 CA ASP C 65 19.853 17.476 10.795 1.00 0.00 C ATOM 999 C ASP C 65 18.425 17.117 10.410 1.00 0.00 C ATOM 1000 O ASP C 65 17.586 17.990 10.189 1.00 0.00 O ATOM 1001 CB ASP C 65 19.839 18.359 12.042 1.00 0.00 C ATOM 1002 CG ASP C 65 19.220 17.604 13.214 1.00 0.00 C ATOM 1003 OD1 ASP C 65 18.792 16.481 13.009 1.00 0.00 O ATOM 1004 OD2 ASP C 65 19.184 18.162 14.298 1.00 0.00 O1- ATOM 0 H ASP C 65 20.589 19.185 9.829 1.00 0.00 H new ATOM 0 HA ASP C 65 20.402 16.558 11.003 1.00 0.00 H new ATOM 0 HB2 ASP C 65 20.855 18.664 12.292 1.00 0.00 H new ATOM 0 HB3 ASP C 65 19.272 19.269 11.846 1.00 0.00 H new ATOM 1009 N GLU C 66 18.162 15.821 10.330 1.00 0.00 N ATOM 1010 CA GLU C 66 16.839 15.336 9.963 1.00 0.00 C ATOM 1011 C GLU C 66 15.798 15.775 10.985 1.00 0.00 C ATOM 1012 O GLU C 66 14.678 16.140 10.624 1.00 0.00 O ATOM 1013 CB GLU C 66 16.859 13.809 9.884 1.00 0.00 C ATOM 1014 CG GLU C 66 17.721 13.380 8.698 1.00 0.00 C ATOM 1015 CD GLU C 66 17.801 11.860 8.632 1.00 0.00 C ATOM 1016 OE1 GLU C 66 17.074 11.216 9.369 1.00 0.00 O ATOM 1017 OE2 GLU C 66 18.594 11.362 7.849 1.00 0.00 O1- ATOM 0 H GLU C 66 18.846 15.087 10.514 1.00 0.00 H new ATOM 0 HA GLU C 66 16.574 15.756 8.993 1.00 0.00 H new ATOM 0 HB2 GLU C 66 17.256 13.390 10.808 1.00 0.00 H new ATOM 0 HB3 GLU C 66 15.845 13.425 9.770 1.00 0.00 H new ATOM 0 HG2 GLU C 66 17.299 13.770 7.772 1.00 0.00 H new ATOM 0 HG3 GLU C 66 18.722 13.801 8.795 1.00 0.00 H new ATOM 1024 N ASP C 67 16.170 15.731 12.261 1.00 0.00 N ATOM 1025 CA ASP C 67 15.252 16.121 13.326 1.00 0.00 C ATOM 1026 C ASP C 67 15.250 17.630 13.544 1.00 0.00 C ATOM 1027 O ASP C 67 14.382 18.159 14.236 1.00 0.00 O ATOM 1028 CB ASP C 67 15.633 15.406 14.624 1.00 0.00 C ATOM 1029 CG ASP C 67 17.144 15.213 14.689 1.00 0.00 C ATOM 1030 OD1 ASP C 67 17.820 16.122 15.136 1.00 0.00 O ATOM 1031 OD2 ASP C 67 17.602 14.157 14.289 1.00 0.00 O1- ATOM 0 H ASP C 67 17.091 15.432 12.581 1.00 0.00 H new ATOM 0 HA ASP C 67 14.246 15.828 13.026 1.00 0.00 H new ATOM 0 HB2 ASP C 67 15.295 15.988 15.482 1.00 0.00 H new ATOM 0 HB3 ASP C 67 15.132 14.439 14.677 1.00 0.00 H new ATOM 1036 N GLY C 68 16.213 18.322 12.950 1.00 0.00 N ATOM 1037 CA GLY C 68 16.285 19.772 13.092 1.00 0.00 C ATOM 1038 C GLY C 68 16.603 20.154 14.533 1.00 0.00 C ATOM 1039 O GLY C 68 16.290 21.258 14.977 1.00 0.00 O ATOM 0 H GLY C 68 16.946 17.911 12.373 1.00 0.00 H new ATOM 0 HA2 GLY C 68 17.051 20.171 12.427 1.00 0.00 H new ATOM 0 HA3 GLY C 68 15.338 20.220 12.792 1.00 0.00 H new ATOM 1043 N SER C 69 17.209 19.226 15.264 1.00 0.00 N ATOM 1044 CA SER C 69 17.544 19.468 16.665 1.00 0.00 C ATOM 1045 C SER C 69 18.444 20.692 16.802 1.00 0.00 C ATOM 1046 O SER C 69 18.416 21.379 17.823 1.00 0.00 O ATOM 1047 CB SER C 69 18.264 18.257 17.260 1.00 0.00 C ATOM 1048 OG SER C 69 17.409 17.125 17.207 1.00 0.00 O ATOM 0 H SER C 69 17.477 18.306 14.915 1.00 0.00 H new ATOM 0 HA SER C 69 16.612 19.642 17.203 1.00 0.00 H new ATOM 0 HB2 SER C 69 19.182 18.059 16.707 1.00 0.00 H new ATOM 0 HB3 SER C 69 18.551 18.462 18.292 1.00 0.00 H new ATOM 0 HG SER C 69 17.777 16.466 16.581 1.00 0.00 H new ATOM 1054 N GLY C 70 19.248 20.955 15.777 1.00 0.00 N ATOM 1055 CA GLY C 70 20.155 22.094 15.810 1.00 0.00 C ATOM 1056 C GLY C 70 21.545 21.668 16.268 1.00 0.00 C ATOM 1057 O GLY C 70 22.479 22.469 16.276 1.00 0.00 O ATOM 0 H GLY C 70 19.290 20.401 14.922 1.00 0.00 H new ATOM 0 HA2 GLY C 70 20.216 22.544 14.819 1.00 0.00 H new ATOM 0 HA3 GLY C 70 19.764 22.857 16.483 1.00 0.00 H new ATOM 1061 N THR C 71 21.675 20.399 16.645 1.00 0.00 N ATOM 1062 CA THR C 71 22.957 19.872 17.099 1.00 0.00 C ATOM 1063 C THR C 71 23.235 18.531 16.427 1.00 0.00 C ATOM 1064 O THR C 71 22.321 17.899 15.894 1.00 0.00 O ATOM 1065 CB THR C 71 22.927 19.678 18.615 1.00 0.00 C ATOM 1066 OG1 THR C 71 22.173 18.517 18.925 1.00 0.00 O ATOM 1067 CG2 THR C 71 22.259 20.888 19.268 1.00 0.00 C ATOM 0 H THR C 71 20.913 19.721 16.645 1.00 0.00 H new ATOM 0 HA THR C 71 23.743 20.580 16.836 1.00 0.00 H new ATOM 0 HB THR C 71 23.946 19.571 18.987 1.00 0.00 H new ATOM 0 HG1 THR C 71 22.154 18.389 19.896 1.00 0.00 H new ATOM 0 HG21 THR C 71 22.237 20.752 20.349 1.00 0.00 H new ATOM 0 HG22 THR C 71 22.823 21.789 19.027 1.00 0.00 H new ATOM 0 HG23 THR C 71 21.240 20.987 18.894 1.00 0.00 H new ATOM 1075 N VAL C 72 24.494 18.095 16.463 1.00 0.00 N ATOM 1076 CA VAL C 72 24.861 16.819 15.858 1.00 0.00 C ATOM 1077 C VAL C 72 25.221 15.806 16.942 1.00 0.00 C ATOM 1078 O VAL C 72 26.100 16.049 17.779 1.00 0.00 O ATOM 1079 CB VAL C 72 26.043 16.997 14.899 1.00 0.00 C ATOM 1080 CG1 VAL C 72 26.036 15.873 13.862 1.00 0.00 C ATOM 1081 CG2 VAL C 72 25.930 18.347 14.189 1.00 0.00 C ATOM 0 H VAL C 72 25.266 18.600 16.899 1.00 0.00 H new ATOM 0 HA VAL C 72 24.006 16.449 15.293 1.00 0.00 H new ATOM 0 HB VAL C 72 26.974 16.962 15.465 1.00 0.00 H new ATOM 0 HG11 VAL C 72 26.877 16.001 13.181 1.00 0.00 H new ATOM 0 HG12 VAL C 72 26.122 14.911 14.367 1.00 0.00 H new ATOM 0 HG13 VAL C 72 25.104 15.905 13.298 1.00 0.00 H new ATOM 0 HG21 VAL C 72 26.772 18.471 13.508 1.00 0.00 H new ATOM 0 HG22 VAL C 72 24.998 18.385 13.625 1.00 0.00 H new ATOM 0 HG23 VAL C 72 25.940 19.149 14.928 1.00 0.00 H new ATOM 1091 N ASP C 73 24.526 14.675 16.915 1.00 0.00 N ATOM 1092 CA ASP C 73 24.753 13.608 17.880 1.00 0.00 C ATOM 1093 C ASP C 73 25.742 12.594 17.312 1.00 0.00 C ATOM 1094 O ASP C 73 26.223 12.749 16.191 1.00 0.00 O ATOM 1095 CB ASP C 73 23.434 12.913 18.225 1.00 0.00 C ATOM 1096 CG ASP C 73 22.564 13.833 19.076 1.00 0.00 C ATOM 1097 OD1 ASP C 73 23.084 14.821 19.568 1.00 0.00 O ATOM 1098 OD2 ASP C 73 21.390 13.535 19.225 1.00 0.00 O1- ATOM 0 H ASP C 73 23.797 14.473 16.231 1.00 0.00 H new ATOM 0 HA ASP C 73 25.169 14.042 18.790 1.00 0.00 H new ATOM 0 HB2 ASP C 73 22.906 12.644 17.310 1.00 0.00 H new ATOM 0 HB3 ASP C 73 23.632 11.986 18.763 1.00 0.00 H new ATOM 1103 N PHE C 74 26.059 11.574 18.099 1.00 0.00 N ATOM 1104 CA PHE C 74 27.018 10.560 17.671 1.00 0.00 C ATOM 1105 C PHE C 74 26.536 9.861 16.397 1.00 0.00 C ATOM 1106 O PHE C 74 27.281 9.740 15.424 1.00 0.00 O ATOM 1107 CB PHE C 74 27.177 9.532 18.795 1.00 0.00 C ATOM 1108 CG PHE C 74 28.377 8.654 18.538 1.00 0.00 C ATOM 1109 CD1 PHE C 74 29.650 9.094 18.919 1.00 0.00 C ATOM 1110 CD2 PHE C 74 28.220 7.397 17.944 1.00 0.00 C ATOM 1111 CE1 PHE C 74 30.767 8.280 18.706 1.00 0.00 C ATOM 1112 CE2 PHE C 74 29.339 6.582 17.728 1.00 0.00 C ATOM 1113 CZ PHE C 74 30.613 7.025 18.111 1.00 0.00 C ATOM 0 H PHE C 74 25.670 11.426 19.030 1.00 0.00 H new ATOM 0 HA PHE C 74 27.974 11.037 17.456 1.00 0.00 H new ATOM 0 HB2 PHE C 74 27.290 10.043 19.751 1.00 0.00 H new ATOM 0 HB3 PHE C 74 26.278 8.919 18.866 1.00 0.00 H new ATOM 0 HD1 PHE C 74 29.770 10.064 19.378 1.00 0.00 H new ATOM 0 HD2 PHE C 74 27.238 7.055 17.652 1.00 0.00 H new ATOM 0 HE1 PHE C 74 31.748 8.621 19.001 1.00 0.00 H new ATOM 0 HE2 PHE C 74 29.220 5.613 17.267 1.00 0.00 H new ATOM 0 HZ PHE C 74 31.475 6.396 17.946 1.00 0.00 H new ATOM 1123 N ASP C 75 25.282 9.411 16.404 1.00 0.00 N ATOM 1124 CA ASP C 75 24.707 8.736 15.242 1.00 0.00 C ATOM 1125 C ASP C 75 24.557 9.701 14.071 1.00 0.00 C ATOM 1126 O ASP C 75 24.809 9.344 12.920 1.00 0.00 O ATOM 1127 CB ASP C 75 23.337 8.157 15.600 1.00 0.00 C ATOM 1128 CG ASP C 75 23.504 6.959 16.530 1.00 0.00 C ATOM 1129 OD1 ASP C 75 24.622 6.489 16.663 1.00 0.00 O ATOM 1130 OD2 ASP C 75 22.512 6.532 17.097 1.00 0.00 O1- ATOM 0 H ASP C 75 24.648 9.501 17.198 1.00 0.00 H new ATOM 0 HA ASP C 75 25.382 7.932 14.949 1.00 0.00 H new ATOM 0 HB2 ASP C 75 22.725 8.920 16.082 1.00 0.00 H new ATOM 0 HB3 ASP C 75 22.813 7.854 14.694 1.00 0.00 H new ATOM 1135 N GLU C 76 24.140 10.925 14.372 1.00 0.00 N ATOM 1136 CA GLU C 76 23.957 11.932 13.336 1.00 0.00 C ATOM 1137 C GLU C 76 25.289 12.257 12.675 1.00 0.00 C ATOM 1138 O GLU C 76 25.363 12.439 11.460 1.00 0.00 O ATOM 1139 CB GLU C 76 23.363 13.201 13.945 1.00 0.00 C ATOM 1140 CG GLU C 76 21.915 12.935 14.369 1.00 0.00 C ATOM 1141 CD GLU C 76 21.364 14.141 15.121 1.00 0.00 C ATOM 1142 OE1 GLU C 76 22.147 15.013 15.460 1.00 0.00 O ATOM 1143 OE2 GLU C 76 20.166 14.177 15.350 1.00 0.00 O1- ATOM 0 H GLU C 76 23.924 11.242 15.317 1.00 0.00 H new ATOM 0 HA GLU C 76 23.275 11.539 12.582 1.00 0.00 H new ATOM 0 HB2 GLU C 76 23.953 13.515 14.806 1.00 0.00 H new ATOM 0 HB3 GLU C 76 23.397 14.015 13.221 1.00 0.00 H new ATOM 0 HG2 GLU C 76 21.302 12.732 13.491 1.00 0.00 H new ATOM 0 HG3 GLU C 76 21.869 12.049 15.002 1.00 0.00 H new ATOM 1150 N PHE C 77 26.343 12.325 13.483 1.00 0.00 N ATOM 1151 CA PHE C 77 27.668 12.622 12.962 1.00 0.00 C ATOM 1152 C PHE C 77 28.081 11.536 11.977 1.00 0.00 C ATOM 1153 O PHE C 77 28.631 11.824 10.915 1.00 0.00 O ATOM 1154 CB PHE C 77 28.689 12.693 14.098 1.00 0.00 C ATOM 1155 CG PHE C 77 29.984 13.244 13.557 1.00 0.00 C ATOM 1156 CD1 PHE C 77 30.889 12.397 12.905 1.00 0.00 C ATOM 1157 CD2 PHE C 77 30.271 14.608 13.689 1.00 0.00 C ATOM 1158 CE1 PHE C 77 32.084 12.915 12.391 1.00 0.00 C ATOM 1159 CE2 PHE C 77 31.466 15.124 13.175 1.00 0.00 C ATOM 1160 CZ PHE C 77 32.371 14.278 12.526 1.00 0.00 C ATOM 0 H PHE C 77 26.304 12.180 14.492 1.00 0.00 H new ATOM 0 HA PHE C 77 27.637 13.588 12.458 1.00 0.00 H new ATOM 0 HB2 PHE C 77 28.316 13.328 14.901 1.00 0.00 H new ATOM 0 HB3 PHE C 77 28.849 11.702 14.523 1.00 0.00 H new ATOM 0 HD1 PHE C 77 30.665 11.346 12.799 1.00 0.00 H new ATOM 0 HD2 PHE C 77 29.570 15.262 14.187 1.00 0.00 H new ATOM 0 HE1 PHE C 77 32.784 12.263 11.890 1.00 0.00 H new ATOM 0 HE2 PHE C 77 31.689 16.175 13.280 1.00 0.00 H new ATOM 0 HZ PHE C 77 33.292 14.677 12.129 1.00 0.00 H new ATOM 1170 N LEU C 78 27.802 10.282 12.331 1.00 0.00 N ATOM 1171 CA LEU C 78 28.148 9.165 11.455 1.00 0.00 C ATOM 1172 C LEU C 78 27.488 9.315 10.090 1.00 0.00 C ATOM 1173 O LEU C 78 28.128 9.110 9.058 1.00 0.00 O ATOM 1174 CB LEU C 78 27.710 7.840 12.092 1.00 0.00 C ATOM 1175 CG LEU C 78 28.788 7.344 13.060 1.00 0.00 C ATOM 1176 CD1 LEU C 78 28.182 6.339 14.045 1.00 0.00 C ATOM 1177 CD2 LEU C 78 29.901 6.652 12.264 1.00 0.00 C ATOM 0 H LEU C 78 27.345 10.017 13.204 1.00 0.00 H new ATOM 0 HA LEU C 78 29.230 9.166 11.320 1.00 0.00 H new ATOM 0 HB2 LEU C 78 26.768 7.976 12.623 1.00 0.00 H new ATOM 0 HB3 LEU C 78 27.535 7.094 11.317 1.00 0.00 H new ATOM 0 HG LEU C 78 29.193 8.193 13.611 1.00 0.00 H new ATOM 0 HD11 LEU C 78 28.954 5.990 14.730 1.00 0.00 H new ATOM 0 HD12 LEU C 78 27.385 6.820 14.611 1.00 0.00 H new ATOM 0 HD13 LEU C 78 27.775 5.490 13.495 1.00 0.00 H new ATOM 0 HD21 LEU C 78 30.671 6.297 12.949 1.00 0.00 H new ATOM 0 HD22 LEU C 78 29.485 5.807 11.716 1.00 0.00 H new ATOM 0 HD23 LEU C 78 30.339 7.360 11.561 1.00 0.00 H new ATOM 1189 N VAL C 79 26.216 9.683 10.087 1.00 0.00 N ATOM 1190 CA VAL C 79 25.495 9.858 8.834 1.00 0.00 C ATOM 1191 C VAL C 79 26.090 10.991 8.010 1.00 0.00 C ATOM 1192 O VAL C 79 26.267 10.865 6.797 1.00 0.00 O ATOM 1193 CB VAL C 79 24.018 10.146 9.107 1.00 0.00 C ATOM 1194 CG1 VAL C 79 23.331 10.547 7.799 1.00 0.00 C ATOM 1195 CG2 VAL C 79 23.347 8.891 9.674 1.00 0.00 C ATOM 0 H VAL C 79 25.666 9.865 10.927 1.00 0.00 H new ATOM 0 HA VAL C 79 25.586 8.932 8.267 1.00 0.00 H new ATOM 0 HB VAL C 79 23.932 10.958 9.829 1.00 0.00 H new ATOM 0 HG11 VAL C 79 22.278 10.753 7.990 1.00 0.00 H new ATOM 0 HG12 VAL C 79 23.808 11.440 7.396 1.00 0.00 H new ATOM 0 HG13 VAL C 79 23.417 9.734 7.079 1.00 0.00 H new ATOM 0 HG21 VAL C 79 22.294 9.097 9.868 1.00 0.00 H new ATOM 0 HG22 VAL C 79 23.430 8.077 8.954 1.00 0.00 H new ATOM 0 HG23 VAL C 79 23.838 8.604 10.604 1.00 0.00 H new ATOM 1205 N MET C 80 26.391 12.094 8.675 1.00 0.00 N ATOM 1206 CA MET C 80 26.960 13.247 8.001 1.00 0.00 C ATOM 1207 C MET C 80 28.336 12.906 7.459 1.00 0.00 C ATOM 1208 O MET C 80 28.723 13.357 6.383 1.00 0.00 O ATOM 1209 CB MET C 80 27.066 14.429 8.972 1.00 0.00 C ATOM 1210 CG MET C 80 27.543 15.679 8.222 1.00 0.00 C ATOM 1211 SD MET C 80 29.353 15.710 8.172 1.00 0.00 S ATOM 1212 CE MET C 80 29.621 16.444 9.804 1.00 0.00 C ATOM 0 H MET C 80 26.251 12.214 9.678 1.00 0.00 H new ATOM 0 HA MET C 80 26.307 13.524 7.173 1.00 0.00 H new ATOM 0 HB2 MET C 80 26.097 14.619 9.434 1.00 0.00 H new ATOM 0 HB3 MET C 80 27.762 14.189 9.776 1.00 0.00 H new ATOM 0 HG2 MET C 80 27.142 15.682 7.209 1.00 0.00 H new ATOM 0 HG3 MET C 80 27.168 16.576 8.715 1.00 0.00 H new ATOM 0 HE1 MET C 80 30.560 16.077 10.218 1.00 0.00 H new ATOM 0 HE2 MET C 80 29.665 17.529 9.712 1.00 0.00 H new ATOM 0 HE3 MET C 80 28.800 16.169 10.466 1.00 0.00 H new ATOM 1222 N MET C 81 29.072 12.119 8.230 1.00 0.00 N ATOM 1223 CA MET C 81 30.423 11.734 7.837 1.00 0.00 C ATOM 1224 C MET C 81 30.401 10.971 6.517 1.00 0.00 C ATOM 1225 O MET C 81 31.158 11.283 5.600 1.00 0.00 O ATOM 1226 CB MET C 81 31.049 10.857 8.924 1.00 0.00 C ATOM 1227 CG MET C 81 32.572 11.029 8.913 1.00 0.00 C ATOM 1228 SD MET C 81 33.223 10.654 7.266 1.00 0.00 S ATOM 1229 CE MET C 81 34.022 12.251 6.973 1.00 0.00 C ATOM 0 H MET C 81 28.762 11.737 9.123 1.00 0.00 H new ATOM 0 HA MET C 81 31.017 12.639 7.710 1.00 0.00 H new ATOM 0 HB2 MET C 81 30.649 11.131 9.901 1.00 0.00 H new ATOM 0 HB3 MET C 81 30.790 9.812 8.755 1.00 0.00 H new ATOM 0 HG2 MET C 81 32.833 12.049 9.193 1.00 0.00 H new ATOM 0 HG3 MET C 81 33.027 10.369 9.652 1.00 0.00 H new ATOM 0 HE1 MET C 81 34.499 12.245 5.993 1.00 0.00 H new ATOM 0 HE2 MET C 81 33.275 13.044 7.008 1.00 0.00 H new ATOM 0 HE3 MET C 81 34.775 12.428 7.741 1.00 0.00 H new ATOM 1239 N VAL C 82 29.529 9.975 6.426 1.00 0.00 N ATOM 1240 CA VAL C 82 29.424 9.184 5.206 1.00 0.00 C ATOM 1241 C VAL C 82 28.927 10.048 4.055 1.00 0.00 C ATOM 1242 O VAL C 82 29.411 9.941 2.927 1.00 0.00 O ATOM 1243 CB VAL C 82 28.480 8.005 5.417 1.00 0.00 C ATOM 1244 CG1 VAL C 82 28.212 7.324 4.073 1.00 0.00 C ATOM 1245 CG2 VAL C 82 29.138 7.005 6.369 1.00 0.00 C ATOM 0 H VAL C 82 28.891 9.698 7.172 1.00 0.00 H new ATOM 0 HA VAL C 82 30.414 8.802 4.957 1.00 0.00 H new ATOM 0 HB VAL C 82 27.539 8.356 5.841 1.00 0.00 H new ATOM 0 HG11 VAL C 82 27.537 6.481 4.221 1.00 0.00 H new ATOM 0 HG12 VAL C 82 27.755 8.038 3.388 1.00 0.00 H new ATOM 0 HG13 VAL C 82 29.152 6.967 3.652 1.00 0.00 H new ATOM 0 HG21 VAL C 82 28.470 6.158 6.526 1.00 0.00 H new ATOM 0 HG22 VAL C 82 30.075 6.653 5.937 1.00 0.00 H new ATOM 0 HG23 VAL C 82 29.339 7.490 7.324 1.00 0.00 H new ATOM 1255 N ARG C 83 27.950 10.899 4.345 1.00 0.00 N ATOM 1256 CA ARG C 83 27.385 11.769 3.332 1.00 0.00 C ATOM 1257 C ARG C 83 28.463 12.683 2.747 1.00 0.00 C ATOM 1258 O ARG C 83 28.526 12.883 1.534 1.00 0.00 O ATOM 1259 CB ARG C 83 26.272 12.598 3.963 1.00 0.00 C ATOM 1260 CG ARG C 83 25.528 13.374 2.885 1.00 0.00 C ATOM 1261 CD ARG C 83 24.275 13.980 3.502 1.00 0.00 C ATOM 1262 NE ARG C 83 23.513 14.686 2.479 1.00 0.00 N ATOM 1263 CZ ARG C 83 22.264 15.084 2.695 1.00 0.00 C ATOM 1264 NH1 ARG C 83 21.696 14.863 3.850 1.00 0.00 N ATOM 1265 NH2 ARG C 83 21.607 15.697 1.748 1.00 0.00 N1+ ATOM 0 H ARG C 83 27.536 11.002 5.272 1.00 0.00 H new ATOM 0 HA ARG C 83 26.979 11.166 2.519 1.00 0.00 H new ATOM 0 HB2 ARG C 83 25.580 11.947 4.497 1.00 0.00 H new ATOM 0 HB3 ARG C 83 26.691 13.288 4.696 1.00 0.00 H new ATOM 0 HG2 ARG C 83 26.165 14.158 2.475 1.00 0.00 H new ATOM 0 HG3 ARG C 83 25.262 12.714 2.059 1.00 0.00 H new ATOM 0 HD2 ARG C 83 23.663 13.196 3.949 1.00 0.00 H new ATOM 0 HD3 ARG C 83 24.549 14.666 4.303 1.00 0.00 H new ATOM 0 HE ARG C 83 23.949 14.879 1.577 1.00 0.00 H new ATOM 0 HH11 ARG C 83 22.211 14.384 4.588 1.00 0.00 H new ATOM 0 HH12 ARG C 83 20.737 15.169 4.014 1.00 0.00 H new ATOM 0 HH21 ARG C 83 22.053 15.869 0.847 1.00 0.00 H new ATOM 0 HH22 ARG C 83 20.648 16.004 1.909 1.00 0.00 H new ATOM 1279 N CYS C 84 29.315 13.223 3.614 1.00 0.00 N ATOM 1280 CA CYS C 84 30.396 14.099 3.165 1.00 0.00 C ATOM 1281 C CYS C 84 31.334 13.342 2.229 1.00 0.00 C ATOM 1282 O CYS C 84 31.750 13.863 1.195 1.00 0.00 O ATOM 1283 CB CYS C 84 31.185 14.637 4.363 1.00 0.00 C ATOM 1284 SG CYS C 84 32.477 15.763 3.778 1.00 0.00 S ATOM 0 H CYS C 84 29.280 13.072 4.622 1.00 0.00 H new ATOM 0 HA CYS C 84 29.955 14.939 2.628 1.00 0.00 H new ATOM 0 HB2 CYS C 84 30.516 15.158 5.048 1.00 0.00 H new ATOM 0 HB3 CYS C 84 31.631 13.812 4.919 1.00 0.00 H new ATOM 0 HG CYS C 84 33.146 16.222 4.794 1.00 0.00 H new ATOM 1290 N MET C 85 31.664 12.107 2.598 1.00 0.00 N ATOM 1291 CA MET C 85 32.552 11.288 1.778 1.00 0.00 C ATOM 1292 C MET C 85 31.986 11.116 0.371 1.00 0.00 C ATOM 1293 O MET C 85 32.717 11.211 -0.615 1.00 0.00 O ATOM 1294 CB MET C 85 32.731 9.911 2.423 1.00 0.00 C ATOM 1295 CG MET C 85 33.989 9.902 3.297 1.00 0.00 C ATOM 1296 SD MET C 85 35.460 9.783 2.248 1.00 0.00 S ATOM 1297 CE MET C 85 35.464 7.981 2.037 1.00 0.00 C ATOM 0 H MET C 85 31.334 11.655 3.451 1.00 0.00 H new ATOM 0 HA MET C 85 33.516 11.792 1.710 1.00 0.00 H new ATOM 0 HB2 MET C 85 31.857 9.667 3.027 1.00 0.00 H new ATOM 0 HB3 MET C 85 32.809 9.146 1.651 1.00 0.00 H new ATOM 0 HG2 MET C 85 34.032 10.810 3.899 1.00 0.00 H new ATOM 0 HG3 MET C 85 33.956 9.062 3.990 1.00 0.00 H new ATOM 0 HE1 MET C 85 35.783 7.734 1.024 1.00 0.00 H new ATOM 0 HE2 MET C 85 36.152 7.532 2.754 1.00 0.00 H new ATOM 0 HE3 MET C 85 34.460 7.593 2.206 1.00 0.00 H new ATOM 1307 N LYS C 86 30.683 10.866 0.281 1.00 0.00 N ATOM 1308 CA LYS C 86 30.038 10.689 -1.017 1.00 0.00 C ATOM 1309 C LYS C 86 30.119 11.971 -1.840 1.00 0.00 C ATOM 1310 O LYS C 86 30.349 11.930 -3.049 1.00 0.00 O ATOM 1311 CB LYS C 86 28.574 10.285 -0.824 1.00 0.00 C ATOM 1312 CG LYS C 86 28.503 8.853 -0.285 1.00 0.00 C ATOM 1313 CD LYS C 86 28.488 7.857 -1.450 1.00 0.00 C ATOM 1314 CE LYS C 86 28.456 6.431 -0.901 1.00 0.00 C ATOM 1315 NZ LYS C 86 29.777 6.106 -0.293 1.00 0.00 N1+ ATOM 0 H LYS C 86 30.058 10.782 1.083 1.00 0.00 H new ATOM 0 HA LYS C 86 30.561 9.899 -1.556 1.00 0.00 H new ATOM 0 HB2 LYS C 86 28.086 10.970 -0.131 1.00 0.00 H new ATOM 0 HB3 LYS C 86 28.039 10.355 -1.771 1.00 0.00 H new ATOM 0 HG2 LYS C 86 29.358 8.656 0.362 1.00 0.00 H new ATOM 0 HG3 LYS C 86 27.607 8.728 0.323 1.00 0.00 H new ATOM 0 HD2 LYS C 86 27.618 8.034 -2.083 1.00 0.00 H new ATOM 0 HD3 LYS C 86 29.370 7.998 -2.074 1.00 0.00 H new ATOM 0 HE2 LYS C 86 27.666 6.334 -0.156 1.00 0.00 H new ATOM 0 HE3 LYS C 86 28.228 5.726 -1.701 1.00 0.00 H new ATOM 0 HZ1 LYS C 86 29.864 5.076 -0.182 1.00 0.00 H new ATOM 0 HZ2 LYS C 86 30.538 6.453 -0.911 1.00 0.00 H new ATOM 0 HZ3 LYS C 86 29.852 6.562 0.638 1.00 0.00 H new ATOM 1508 N ALA I 152 41.393 16.708 3.175 1.00 0.00 N ATOM 1509 CA ALA I 152 42.020 17.911 3.718 1.00 0.00 C ATOM 1510 C ALA I 152 41.470 18.206 5.109 1.00 0.00 C ATOM 1511 O ALA I 152 42.212 18.598 6.007 1.00 0.00 O ATOM 1512 CB ALA I 152 41.788 19.103 2.786 1.00 0.00 C ATOM 0 HA ALA I 152 43.094 17.741 3.796 1.00 0.00 H new ATOM 0 HB1 ALA I 152 42.262 19.991 3.206 1.00 0.00 H new ATOM 0 HB2 ALA I 152 42.219 18.890 1.808 1.00 0.00 H new ATOM 0 HB3 ALA I 152 40.718 19.279 2.680 1.00 0.00 H new ATOM 1518 N MET I 153 40.167 18.011 5.286 1.00 0.00 N ATOM 1519 CA MET I 153 39.539 18.259 6.579 1.00 0.00 C ATOM 1520 C MET I 153 40.177 17.384 7.660 1.00 0.00 C ATOM 1521 O MET I 153 40.521 17.874 8.735 1.00 0.00 O ATOM 1522 CB MET I 153 38.036 17.960 6.491 1.00 0.00 C ATOM 1523 CG MET I 153 37.349 18.232 7.837 1.00 0.00 C ATOM 1524 SD MET I 153 37.514 19.984 8.261 1.00 0.00 S ATOM 1525 CE MET I 153 36.833 19.880 9.932 1.00 0.00 C ATOM 0 H MET I 153 39.531 17.685 4.558 1.00 0.00 H new ATOM 0 HA MET I 153 39.686 19.306 6.844 1.00 0.00 H new ATOM 0 HB2 MET I 153 37.582 18.576 5.714 1.00 0.00 H new ATOM 0 HB3 MET I 153 37.883 16.920 6.203 1.00 0.00 H new ATOM 0 HG2 MET I 153 36.295 17.959 7.780 1.00 0.00 H new ATOM 0 HG3 MET I 153 37.797 17.615 8.616 1.00 0.00 H new ATOM 0 HE1 MET I 153 36.173 20.729 10.109 1.00 0.00 H new ATOM 0 HE2 MET I 153 36.269 18.954 10.038 1.00 0.00 H new ATOM 0 HE3 MET I 153 37.646 19.894 10.658 1.00 0.00 H new ATOM 1535 N MET I 154 40.339 16.094 7.373 1.00 0.00 N ATOM 1536 CA MET I 154 40.946 15.185 8.342 1.00 0.00 C ATOM 1537 C MET I 154 42.387 15.582 8.625 1.00 0.00 C ATOM 1538 O MET I 154 42.839 15.543 9.771 1.00 0.00 O ATOM 1539 CB MET I 154 40.912 13.744 7.821 1.00 0.00 C ATOM 1540 CG MET I 154 39.485 13.194 7.874 1.00 0.00 C ATOM 1541 SD MET I 154 38.998 12.969 9.605 1.00 0.00 S ATOM 1542 CE MET I 154 37.325 12.355 9.300 1.00 0.00 C ATOM 0 H MET I 154 40.063 15.660 6.492 1.00 0.00 H new ATOM 0 HA MET I 154 40.370 15.249 9.265 1.00 0.00 H new ATOM 0 HB2 MET I 154 41.284 13.711 6.797 1.00 0.00 H new ATOM 0 HB3 MET I 154 41.573 13.118 8.420 1.00 0.00 H new ATOM 0 HG2 MET I 154 38.799 13.880 7.377 1.00 0.00 H new ATOM 0 HG3 MET I 154 39.428 12.245 7.341 1.00 0.00 H new ATOM 0 HE1 MET I 154 36.840 12.132 10.251 1.00 0.00 H new ATOM 0 HE2 MET I 154 36.750 13.114 8.769 1.00 0.00 H new ATOM 0 HE3 MET I 154 37.374 11.449 8.696 1.00 0.00 H new ATOM 1552 N GLN I 155 43.107 15.955 7.573 1.00 0.00 N ATOM 1553 CA GLN I 155 44.502 16.346 7.717 1.00 0.00 C ATOM 1554 C GLN I 155 44.622 17.598 8.581 1.00 0.00 C ATOM 1555 O GLN I 155 45.488 17.680 9.448 1.00 0.00 O ATOM 1556 CB GLN I 155 45.114 16.602 6.337 1.00 0.00 C ATOM 1557 CG GLN I 155 46.623 16.816 6.471 1.00 0.00 C ATOM 1558 CD GLN I 155 47.241 17.011 5.090 1.00 0.00 C ATOM 1559 OE1 GLN I 155 47.034 18.047 4.457 1.00 0.00 O ATOM 1560 NE2 GLN I 155 47.974 16.062 4.572 1.00 0.00 N ATOM 0 H GLN I 155 42.750 15.994 6.618 1.00 0.00 H new ATOM 0 HA GLN I 155 45.043 15.536 8.206 1.00 0.00 H new ATOM 0 HB2 GLN I 155 44.914 15.757 5.678 1.00 0.00 H new ATOM 0 HB3 GLN I 155 44.652 17.478 5.881 1.00 0.00 H new ATOM 0 HG2 GLN I 155 46.822 17.687 7.095 1.00 0.00 H new ATOM 0 HG3 GLN I 155 47.079 15.958 6.966 1.00 0.00 H new ATOM 0 HE21 GLN I 155 48.144 15.205 5.098 1.00 0.00 H new ATOM 0 HE22 GLN I 155 48.376 16.178 3.642 1.00 0.00 H new ATOM 1569 N ALA I 156 43.739 18.567 8.347 1.00 0.00 N ATOM 1570 CA ALA I 156 43.757 19.803 9.123 1.00 0.00 C ATOM 1571 C ALA I 156 43.477 19.520 10.595 1.00 0.00 C ATOM 1572 O ALA I 156 44.099 20.109 11.479 1.00 0.00 O ATOM 1573 CB ALA I 156 42.708 20.776 8.583 1.00 0.00 C ATOM 0 H ALA I 156 43.010 18.521 7.635 1.00 0.00 H new ATOM 0 HA ALA I 156 44.748 20.248 9.033 1.00 0.00 H new ATOM 0 HB1 ALA I 156 42.729 21.695 9.168 1.00 0.00 H new ATOM 0 HB2 ALA I 156 42.927 21.005 7.540 1.00 0.00 H new ATOM 0 HB3 ALA I 156 41.720 20.322 8.655 1.00 0.00 H new