USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=17 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 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: I 154 MET CE :methyl -152:sc= 0 (180deg=0) USER MOD Set 2.1: C 69 SER OG : rot -81:sc= 0.0664 USER MOD Set 2.2: C 71 THR OG1 : rot 180:sc= 0 USER MOD Single : C 11 GLN : amide:sc= -0.265 X(o=-0.27,f=-0.27) USER MOD Single : C 13 THR OG1 : rot 180:sc= -0.625 USER MOD Single : C 16 GLN : amide:sc= -0.306 X(o=-0.31,f=-0.31) USER MOD Single : C 17 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0603) USER MOD Single : C 18 ASN : amide:sc= -0.102 K(o=-0.1,f=-1.6!) USER MOD Single : C 21 LYS NZ :NH3+ 150:sc= -0.0084 (180deg=-0.443) USER MOD Single : C 35 CYS SG : rot 180:sc=-0.00358 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= -0.0494 (180deg=-0.409) USER MOD Single : C 43 LYS NZ :NH3+ -125:sc= -0.172 (180deg=-1.12) USER MOD Single : C 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 50 GLN : amide:sc= -0.14 K(o=-0.14,f=-2.4!) USER MOD Single : C 51 ASN : amide:sc=-0.00339 X(o=-0.0034,f=-0.0034) USER MOD Single : C 53 THR OG1 : rot 180:sc= 0 USER MOD Single : C 58 GLN :FLIP amide:sc= -0.837 F(o=-3.3!,f=-0.84) USER MOD Single : C 60 MET CE :methyl -123:sc=-0.00735 (180deg=-0.291) USER MOD Single : C 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 81 MET CE :methyl -145:sc= 0 (180deg=-0.0126) USER MOD Single : C 84 CYS SG : rot 79:sc= 0.0509 USER MOD Single : C 86 LYS NZ :NH3+ 162:sc= -0.013 (180deg=-0.364) USER MOD Single : I 153 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : I 155 GLN : amide:sc= -0.208 K(o=-0.21,f=-0.82) USER MOD ----------------------------------------------------------------- ATOM 106 N ALA C 7 24.958 0.781 4.423 1.00 0.00 N ATOM 107 CA ALA C 7 25.991 -0.246 4.401 1.00 0.00 C ATOM 108 C ALA C 7 27.353 0.369 4.678 1.00 0.00 C ATOM 109 O ALA C 7 28.196 -0.244 5.328 1.00 0.00 O ATOM 110 CB ALA C 7 26.012 -0.955 3.042 1.00 0.00 C ATOM 0 HA ALA C 7 25.765 -0.976 5.178 1.00 0.00 H new ATOM 0 HB1 ALA C 7 26.789 -1.719 3.042 1.00 0.00 H new ATOM 0 HB2 ALA C 7 25.044 -1.422 2.860 1.00 0.00 H new ATOM 0 HB3 ALA C 7 26.218 -0.229 2.256 1.00 0.00 H new ATOM 116 N ALA C 8 27.568 1.580 4.178 1.00 0.00 N ATOM 117 CA ALA C 8 28.844 2.247 4.377 1.00 0.00 C ATOM 118 C ALA C 8 29.107 2.448 5.860 1.00 0.00 C ATOM 119 O ALA C 8 30.215 2.214 6.343 1.00 0.00 O ATOM 120 CB ALA C 8 28.846 3.599 3.663 1.00 0.00 C ATOM 0 H ALA C 8 26.885 2.112 3.639 1.00 0.00 H new ATOM 0 HA ALA C 8 29.633 1.621 3.960 1.00 0.00 H new ATOM 0 HB1 ALA C 8 29.806 4.091 3.818 1.00 0.00 H new ATOM 0 HB2 ALA C 8 28.684 3.447 2.596 1.00 0.00 H new ATOM 0 HB3 ALA C 8 28.049 4.224 4.065 1.00 0.00 H new ATOM 126 N VAL C 9 28.081 2.874 6.580 1.00 0.00 N ATOM 127 CA VAL C 9 28.215 3.087 8.011 1.00 0.00 C ATOM 128 C VAL C 9 28.519 1.773 8.731 1.00 0.00 C ATOM 129 O VAL C 9 29.429 1.701 9.557 1.00 0.00 O ATOM 130 CB VAL C 9 26.924 3.678 8.557 1.00 0.00 C ATOM 131 CG1 VAL C 9 26.967 3.684 10.088 1.00 0.00 C ATOM 132 CG2 VAL C 9 26.769 5.114 8.055 1.00 0.00 C ATOM 0 H VAL C 9 27.156 3.077 6.201 1.00 0.00 H new ATOM 0 HA VAL C 9 29.042 3.775 8.184 1.00 0.00 H new ATOM 0 HB VAL C 9 26.081 3.075 8.218 1.00 0.00 H new ATOM 0 HG11 VAL C 9 26.041 4.108 10.476 1.00 0.00 H new ATOM 0 HG12 VAL C 9 27.080 2.663 10.453 1.00 0.00 H new ATOM 0 HG13 VAL C 9 27.811 4.285 10.426 1.00 0.00 H new ATOM 0 HG21 VAL C 9 25.844 5.538 8.446 1.00 0.00 H new ATOM 0 HG22 VAL C 9 27.615 5.712 8.395 1.00 0.00 H new ATOM 0 HG23 VAL C 9 26.738 5.117 6.965 1.00 0.00 H new ATOM 142 N GLU C 10 27.753 0.737 8.401 1.00 0.00 N ATOM 143 CA GLU C 10 27.941 -0.577 9.012 1.00 0.00 C ATOM 144 C GLU C 10 29.273 -1.177 8.588 1.00 0.00 C ATOM 145 O GLU C 10 29.878 -1.959 9.322 1.00 0.00 O ATOM 146 CB GLU C 10 26.805 -1.517 8.613 1.00 0.00 C ATOM 147 CG GLU C 10 25.507 -1.052 9.272 1.00 0.00 C ATOM 148 CD GLU C 10 24.364 -1.982 8.884 1.00 0.00 C ATOM 149 OE1 GLU C 10 24.159 -2.171 7.696 1.00 0.00 O ATOM 150 OE2 GLU C 10 23.713 -2.495 9.779 1.00 0.00 O1- ATOM 0 H GLU C 10 26.998 0.781 7.716 1.00 0.00 H new ATOM 0 HA GLU C 10 27.937 -0.452 10.095 1.00 0.00 H new ATOM 0 HB2 GLU C 10 26.692 -1.529 7.529 1.00 0.00 H new ATOM 0 HB3 GLU C 10 27.037 -2.537 8.920 1.00 0.00 H new ATOM 0 HG2 GLU C 10 25.624 -1.039 10.356 1.00 0.00 H new ATOM 0 HG3 GLU C 10 25.278 -0.032 8.963 1.00 0.00 H new ATOM 157 N GLN C 11 29.721 -0.807 7.396 1.00 0.00 N ATOM 158 CA GLN C 11 30.982 -1.318 6.874 1.00 0.00 C ATOM 159 C GLN C 11 32.142 -0.902 7.775 1.00 0.00 C ATOM 160 O GLN C 11 33.164 -1.585 7.836 1.00 0.00 O ATOM 161 CB GLN C 11 31.224 -0.793 5.453 1.00 0.00 C ATOM 162 CG GLN C 11 32.429 -1.506 4.829 1.00 0.00 C ATOM 163 CD GLN C 11 32.122 -2.987 4.631 1.00 0.00 C ATOM 164 OE1 GLN C 11 32.675 -3.836 5.330 1.00 0.00 O ATOM 165 NE2 GLN C 11 31.268 -3.349 3.713 1.00 0.00 N ATOM 0 H GLN C 11 29.235 -0.160 6.776 1.00 0.00 H new ATOM 0 HA GLN C 11 30.923 -2.406 6.849 1.00 0.00 H new ATOM 0 HB2 GLN C 11 30.337 -0.956 4.840 1.00 0.00 H new ATOM 0 HB3 GLN C 11 31.401 0.282 5.479 1.00 0.00 H new ATOM 0 HG2 GLN C 11 32.676 -1.047 3.872 1.00 0.00 H new ATOM 0 HG3 GLN C 11 33.302 -1.391 5.472 1.00 0.00 H new ATOM 0 HE21 GLN C 11 30.811 -2.644 3.135 1.00 0.00 H new ATOM 0 HE22 GLN C 11 31.058 -4.337 3.574 1.00 0.00 H new ATOM 174 N LEU C 12 31.984 0.221 8.468 1.00 0.00 N ATOM 175 CA LEU C 12 33.034 0.708 9.351 1.00 0.00 C ATOM 176 C LEU C 12 33.426 -0.362 10.364 1.00 0.00 C ATOM 177 O LEU C 12 32.571 -0.995 10.984 1.00 0.00 O ATOM 178 CB LEU C 12 32.533 1.948 10.092 1.00 0.00 C ATOM 179 CG LEU C 12 32.246 3.069 9.087 1.00 0.00 C ATOM 180 CD1 LEU C 12 31.608 4.255 9.813 1.00 0.00 C ATOM 181 CD2 LEU C 12 33.547 3.523 8.414 1.00 0.00 C ATOM 0 H LEU C 12 31.148 0.805 8.435 1.00 0.00 H new ATOM 0 HA LEU C 12 33.909 0.957 8.751 1.00 0.00 H new ATOM 0 HB2 LEU C 12 31.629 1.708 10.652 1.00 0.00 H new ATOM 0 HB3 LEU C 12 33.279 2.277 10.816 1.00 0.00 H new ATOM 0 HG LEU C 12 31.564 2.694 8.324 1.00 0.00 H new ATOM 0 HD11 LEU C 12 31.404 5.052 9.098 1.00 0.00 H new ATOM 0 HD12 LEU C 12 30.675 3.937 10.279 1.00 0.00 H new ATOM 0 HD13 LEU C 12 32.290 4.622 10.580 1.00 0.00 H new ATOM 0 HD21 LEU C 12 33.330 4.320 7.702 1.00 0.00 H new ATOM 0 HD22 LEU C 12 34.239 3.892 9.171 1.00 0.00 H new ATOM 0 HD23 LEU C 12 33.998 2.681 7.889 1.00 0.00 H new ATOM 193 N THR C 13 34.732 -0.551 10.527 1.00 0.00 N ATOM 194 CA THR C 13 35.251 -1.534 11.464 1.00 0.00 C ATOM 195 C THR C 13 35.237 -0.984 12.880 1.00 0.00 C ATOM 196 O THR C 13 35.048 0.214 13.093 1.00 0.00 O ATOM 197 CB THR C 13 36.676 -1.935 11.082 1.00 0.00 C ATOM 198 OG1 THR C 13 37.514 -0.792 11.123 1.00 0.00 O ATOM 199 CG2 THR C 13 36.682 -2.526 9.676 1.00 0.00 C ATOM 0 H THR C 13 35.450 -0.033 10.019 1.00 0.00 H new ATOM 0 HA THR C 13 34.609 -2.414 11.421 1.00 0.00 H new ATOM 0 HB THR C 13 37.045 -2.681 11.786 1.00 0.00 H new ATOM 0 HG1 THR C 13 38.428 -1.048 10.880 1.00 0.00 H new ATOM 0 HG21 THR C 13 37.699 -2.811 9.406 1.00 0.00 H new ATOM 0 HG22 THR C 13 36.039 -3.406 9.648 1.00 0.00 H new ATOM 0 HG23 THR C 13 36.313 -1.784 8.968 1.00 0.00 H new ATOM 207 N GLU C 14 35.431 -1.870 13.844 1.00 0.00 N ATOM 208 CA GLU C 14 35.427 -1.471 15.242 1.00 0.00 C ATOM 209 C GLU C 14 36.564 -0.499 15.519 1.00 0.00 C ATOM 210 O GLU C 14 36.409 0.465 16.270 1.00 0.00 O ATOM 211 CB GLU C 14 35.571 -2.704 16.138 1.00 0.00 C ATOM 212 CG GLU C 14 34.311 -3.567 16.024 1.00 0.00 C ATOM 213 CD GLU C 14 34.297 -4.281 14.677 1.00 0.00 C ATOM 214 OE1 GLU C 14 35.359 -4.440 14.099 1.00 0.00 O ATOM 215 OE2 GLU C 14 33.221 -4.651 14.236 1.00 0.00 O1- ATOM 0 H GLU C 14 35.592 -2.865 13.685 1.00 0.00 H new ATOM 0 HA GLU C 14 34.480 -0.977 15.460 1.00 0.00 H new ATOM 0 HB2 GLU C 14 36.448 -3.281 15.843 1.00 0.00 H new ATOM 0 HB3 GLU C 14 35.723 -2.399 17.173 1.00 0.00 H new ATOM 0 HG2 GLU C 14 34.284 -4.297 16.833 1.00 0.00 H new ATOM 0 HG3 GLU C 14 33.422 -2.945 16.126 1.00 0.00 H new ATOM 222 N GLU C 15 37.703 -0.764 14.905 1.00 0.00 N ATOM 223 CA GLU C 15 38.876 0.090 15.089 1.00 0.00 C ATOM 224 C GLU C 15 38.652 1.462 14.465 1.00 0.00 C ATOM 225 O GLU C 15 39.012 2.485 15.047 1.00 0.00 O ATOM 226 CB GLU C 15 40.108 -0.562 14.457 1.00 0.00 C ATOM 227 CG GLU C 15 40.454 -1.852 15.205 1.00 0.00 C ATOM 228 CD GLU C 15 40.929 -1.533 16.618 1.00 0.00 C ATOM 229 OE1 GLU C 15 41.363 -0.413 16.839 1.00 0.00 O ATOM 230 OE2 GLU C 15 40.852 -2.411 17.461 1.00 0.00 O1- ATOM 0 H GLU C 15 37.847 -1.556 14.278 1.00 0.00 H new ATOM 0 HA GLU C 15 39.039 0.214 16.160 1.00 0.00 H new ATOM 0 HB2 GLU C 15 39.916 -0.780 13.406 1.00 0.00 H new ATOM 0 HB3 GLU C 15 40.953 0.126 14.491 1.00 0.00 H new ATOM 0 HG2 GLU C 15 39.580 -2.502 15.246 1.00 0.00 H new ATOM 0 HG3 GLU C 15 41.231 -2.395 14.667 1.00 0.00 H new ATOM 237 N GLN C 16 38.045 1.485 13.286 1.00 0.00 N ATOM 238 CA GLN C 16 37.778 2.749 12.613 1.00 0.00 C ATOM 239 C GLN C 16 36.815 3.592 13.442 1.00 0.00 C ATOM 240 O GLN C 16 36.990 4.804 13.577 1.00 0.00 O ATOM 241 CB GLN C 16 37.192 2.479 11.223 1.00 0.00 C ATOM 242 CG GLN C 16 38.291 1.942 10.298 1.00 0.00 C ATOM 243 CD GLN C 16 39.306 3.039 9.999 1.00 0.00 C ATOM 244 OE1 GLN C 16 40.478 2.919 10.356 1.00 0.00 O ATOM 245 NE2 GLN C 16 38.920 4.111 9.363 1.00 0.00 N ATOM 0 H GLN C 16 37.732 0.656 12.782 1.00 0.00 H new ATOM 0 HA GLN C 16 38.711 3.301 12.502 1.00 0.00 H new ATOM 0 HB2 GLN C 16 36.378 1.758 11.294 1.00 0.00 H new ATOM 0 HB3 GLN C 16 36.771 3.396 10.810 1.00 0.00 H new ATOM 0 HG2 GLN C 16 38.789 1.093 10.767 1.00 0.00 H new ATOM 0 HG3 GLN C 16 37.851 1.580 9.369 1.00 0.00 H new ATOM 0 HE21 GLN C 16 37.948 4.207 9.069 1.00 0.00 H new ATOM 0 HE22 GLN C 16 39.590 4.853 9.160 1.00 0.00 H new ATOM 254 N LYS C 17 35.809 2.940 14.014 1.00 0.00 N ATOM 255 CA LYS C 17 34.843 3.640 14.844 1.00 0.00 C ATOM 256 C LYS C 17 35.518 4.216 16.075 1.00 0.00 C ATOM 257 O LYS C 17 35.217 5.334 16.494 1.00 0.00 O ATOM 258 CB LYS C 17 33.709 2.699 15.254 1.00 0.00 C ATOM 259 CG LYS C 17 32.776 2.442 14.057 1.00 0.00 C ATOM 260 CD LYS C 17 31.489 1.799 14.565 1.00 0.00 C ATOM 261 CE LYS C 17 30.488 2.885 14.967 1.00 0.00 C ATOM 262 NZ LYS C 17 29.728 3.329 13.765 1.00 0.00 N1+ ATOM 0 H LYS C 17 35.644 1.938 13.918 1.00 0.00 H new ATOM 0 HA LYS C 17 34.422 4.460 14.263 1.00 0.00 H new ATOM 0 HB2 LYS C 17 34.121 1.756 15.613 1.00 0.00 H new ATOM 0 HB3 LYS C 17 33.144 3.135 16.078 1.00 0.00 H new ATOM 0 HG2 LYS C 17 32.553 3.378 13.544 1.00 0.00 H new ATOM 0 HG3 LYS C 17 33.263 1.790 13.332 1.00 0.00 H new ATOM 0 HD2 LYS C 17 31.059 1.164 13.790 1.00 0.00 H new ATOM 0 HD3 LYS C 17 31.705 1.157 15.419 1.00 0.00 H new ATOM 0 HE2 LYS C 17 29.803 2.501 15.723 1.00 0.00 H new ATOM 0 HE3 LYS C 17 31.012 3.731 15.412 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 28.969 3.978 14.055 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 30.370 3.818 13.109 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 29.313 2.501 13.291 1.00 0.00 H new ATOM 276 N ASN C 18 36.435 3.461 16.651 1.00 0.00 N ATOM 277 CA ASN C 18 37.132 3.937 17.826 1.00 0.00 C ATOM 278 C ASN C 18 37.955 5.180 17.510 1.00 0.00 C ATOM 279 O ASN C 18 38.014 6.116 18.307 1.00 0.00 O ATOM 280 CB ASN C 18 38.036 2.840 18.384 1.00 0.00 C ATOM 281 CG ASN C 18 37.205 1.801 19.128 1.00 0.00 C ATOM 282 OD1 ASN C 18 36.183 2.135 19.728 1.00 0.00 O ATOM 283 ND2 ASN C 18 37.580 0.551 19.122 1.00 0.00 N ATOM 0 H ASN C 18 36.710 2.533 16.330 1.00 0.00 H new ATOM 0 HA ASN C 18 36.387 4.203 18.576 1.00 0.00 H new ATOM 0 HB2 ASN C 18 38.585 2.363 17.572 1.00 0.00 H new ATOM 0 HB3 ASN C 18 38.775 3.275 19.057 1.00 0.00 H new ATOM 0 HD21 ASN C 18 37.026 -0.150 19.615 1.00 0.00 H new ATOM 0 HD22 ASN C 18 38.427 0.275 18.625 1.00 0.00 H new ATOM 290 N GLU C 19 38.589 5.183 16.343 1.00 0.00 N ATOM 291 CA GLU C 19 39.406 6.320 15.940 1.00 0.00 C ATOM 292 C GLU C 19 38.553 7.580 15.825 1.00 0.00 C ATOM 293 O GLU C 19 38.975 8.667 16.221 1.00 0.00 O ATOM 294 CB GLU C 19 40.079 6.026 14.597 1.00 0.00 C ATOM 295 CG GLU C 19 41.159 4.959 14.789 1.00 0.00 C ATOM 296 CD GLU C 19 41.744 4.560 13.440 1.00 0.00 C ATOM 297 OE1 GLU C 19 41.178 4.950 12.432 1.00 0.00 O ATOM 298 OE2 GLU C 19 42.752 3.870 13.432 1.00 0.00 O1- ATOM 0 H GLU C 19 38.554 4.420 15.667 1.00 0.00 H new ATOM 0 HA GLU C 19 40.170 6.485 16.700 1.00 0.00 H new ATOM 0 HB2 GLU C 19 39.338 5.683 13.875 1.00 0.00 H new ATOM 0 HB3 GLU C 19 40.521 6.937 14.193 1.00 0.00 H new ATOM 0 HG2 GLU C 19 41.947 5.341 15.438 1.00 0.00 H new ATOM 0 HG3 GLU C 19 40.735 4.085 15.283 1.00 0.00 H new ATOM 305 N PHE C 20 37.348 7.425 15.285 1.00 0.00 N ATOM 306 CA PHE C 20 36.434 8.553 15.129 1.00 0.00 C ATOM 307 C PHE C 20 35.835 8.953 16.470 1.00 0.00 C ATOM 308 O PHE C 20 35.691 10.138 16.773 1.00 0.00 O ATOM 309 CB PHE C 20 35.314 8.186 14.160 1.00 0.00 C ATOM 310 CG PHE C 20 33.986 8.491 14.806 1.00 0.00 C ATOM 311 CD1 PHE C 20 33.563 9.819 14.958 1.00 0.00 C ATOM 312 CD2 PHE C 20 33.182 7.444 15.260 1.00 0.00 C ATOM 313 CE1 PHE C 20 32.331 10.092 15.563 1.00 0.00 C ATOM 314 CE2 PHE C 20 31.954 7.717 15.865 1.00 0.00 C ATOM 315 CZ PHE C 20 31.527 9.041 16.017 1.00 0.00 C ATOM 0 H PHE C 20 36.982 6.534 14.949 1.00 0.00 H new ATOM 0 HA PHE C 20 36.998 9.397 14.732 1.00 0.00 H new ATOM 0 HB2 PHE C 20 35.419 8.749 13.232 1.00 0.00 H new ATOM 0 HB3 PHE C 20 35.372 7.129 13.900 1.00 0.00 H new ATOM 0 HD1 PHE C 20 34.186 10.629 14.609 1.00 0.00 H new ATOM 0 HD2 PHE C 20 33.510 6.422 15.143 1.00 0.00 H new ATOM 0 HE1 PHE C 20 32.001 11.114 15.679 1.00 0.00 H new ATOM 0 HE2 PHE C 20 31.333 6.906 16.216 1.00 0.00 H new ATOM 0 HZ PHE C 20 30.577 9.251 16.485 1.00 0.00 H new ATOM 325 N LYS C 21 35.480 7.959 17.271 1.00 0.00 N ATOM 326 CA LYS C 21 34.893 8.218 18.575 1.00 0.00 C ATOM 327 C LYS C 21 35.799 9.136 19.390 1.00 0.00 C ATOM 328 O LYS C 21 35.325 10.066 20.044 1.00 0.00 O ATOM 329 CB LYS C 21 34.691 6.897 19.319 1.00 0.00 C ATOM 330 CG LYS C 21 34.291 7.181 20.774 1.00 0.00 C ATOM 331 CD LYS C 21 35.523 7.346 21.685 1.00 0.00 C ATOM 332 CE LYS C 21 35.494 6.259 22.764 1.00 0.00 C ATOM 333 NZ LYS C 21 35.565 4.916 22.122 1.00 0.00 N1+ ATOM 0 H LYS C 21 35.588 6.971 17.042 1.00 0.00 H new ATOM 0 HA LYS C 21 33.929 8.708 18.438 1.00 0.00 H new ATOM 0 HB2 LYS C 21 33.918 6.306 18.828 1.00 0.00 H new ATOM 0 HB3 LYS C 21 35.608 6.309 19.292 1.00 0.00 H new ATOM 0 HG2 LYS C 21 33.685 8.086 20.814 1.00 0.00 H new ATOM 0 HG3 LYS C 21 33.671 6.366 21.146 1.00 0.00 H new ATOM 0 HD2 LYS C 21 36.438 7.270 21.098 1.00 0.00 H new ATOM 0 HD3 LYS C 21 35.521 8.334 22.146 1.00 0.00 H new ATOM 0 HE2 LYS C 21 36.331 6.390 23.450 1.00 0.00 H new ATOM 0 HE3 LYS C 21 34.582 6.343 23.355 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 36.039 4.249 22.764 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 34.603 4.577 21.919 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 36.102 4.984 21.234 1.00 0.00 H new ATOM 347 N ALA C 22 37.101 8.880 19.341 1.00 0.00 N ATOM 348 CA ALA C 22 38.053 9.706 20.074 1.00 0.00 C ATOM 349 C ALA C 22 37.983 11.149 19.580 1.00 0.00 C ATOM 350 O ALA C 22 38.029 12.092 20.369 1.00 0.00 O ATOM 351 CB ALA C 22 39.471 9.163 19.879 1.00 0.00 C ATOM 0 H ALA C 22 37.518 8.117 18.808 1.00 0.00 H new ATOM 0 HA ALA C 22 37.800 9.679 21.134 1.00 0.00 H new ATOM 0 HB1 ALA C 22 40.177 9.785 20.429 1.00 0.00 H new ATOM 0 HB2 ALA C 22 39.523 8.139 20.250 1.00 0.00 H new ATOM 0 HB3 ALA C 22 39.724 9.178 18.819 1.00 0.00 H new ATOM 357 N ALA C 23 37.862 11.313 18.266 1.00 0.00 N ATOM 358 CA ALA C 23 37.774 12.645 17.678 1.00 0.00 C ATOM 359 C ALA C 23 36.525 13.365 18.179 1.00 0.00 C ATOM 360 O ALA C 23 36.555 14.563 18.453 1.00 0.00 O ATOM 361 CB ALA C 23 37.734 12.549 16.150 1.00 0.00 C ATOM 0 H ALA C 23 37.823 10.547 17.593 1.00 0.00 H new ATOM 0 HA ALA C 23 38.656 13.212 17.977 1.00 0.00 H new ATOM 0 HB1 ALA C 23 37.668 13.550 15.724 1.00 0.00 H new ATOM 0 HB2 ALA C 23 38.641 12.061 15.792 1.00 0.00 H new ATOM 0 HB3 ALA C 23 36.864 11.967 15.845 1.00 0.00 H new ATOM 367 N PHE C 24 35.430 12.626 18.292 1.00 0.00 N ATOM 368 CA PHE C 24 34.173 13.204 18.751 1.00 0.00 C ATOM 369 C PHE C 24 34.346 13.806 20.144 1.00 0.00 C ATOM 370 O PHE C 24 33.923 14.934 20.399 1.00 0.00 O ATOM 371 CB PHE C 24 33.088 12.125 18.790 1.00 0.00 C ATOM 372 CG PHE C 24 31.768 12.748 19.182 1.00 0.00 C ATOM 373 CD1 PHE C 24 30.953 13.327 18.202 1.00 0.00 C ATOM 374 CD2 PHE C 24 31.357 12.745 20.520 1.00 0.00 C ATOM 375 CE1 PHE C 24 29.728 13.903 18.558 1.00 0.00 C ATOM 376 CE2 PHE C 24 30.131 13.323 20.878 1.00 0.00 C ATOM 377 CZ PHE C 24 29.316 13.902 19.896 1.00 0.00 C ATOM 0 H PHE C 24 35.385 11.631 18.074 1.00 0.00 H new ATOM 0 HA PHE C 24 33.876 13.991 18.058 1.00 0.00 H new ATOM 0 HB2 PHE C 24 33.001 11.647 17.814 1.00 0.00 H new ATOM 0 HB3 PHE C 24 33.360 11.347 19.503 1.00 0.00 H new ATOM 0 HD1 PHE C 24 31.270 13.329 17.170 1.00 0.00 H new ATOM 0 HD2 PHE C 24 31.984 12.297 21.277 1.00 0.00 H new ATOM 0 HE1 PHE C 24 29.100 14.348 17.800 1.00 0.00 H new ATOM 0 HE2 PHE C 24 29.815 13.322 21.911 1.00 0.00 H new ATOM 0 HZ PHE C 24 28.371 14.347 20.171 1.00 0.00 H new ATOM 387 N ASP C 25 34.974 13.046 21.037 1.00 0.00 N ATOM 388 CA ASP C 25 35.209 13.511 22.400 1.00 0.00 C ATOM 389 C ASP C 25 36.103 14.754 22.385 1.00 0.00 C ATOM 390 O ASP C 25 35.950 15.654 23.208 1.00 0.00 O ATOM 391 CB ASP C 25 35.851 12.401 23.236 1.00 0.00 C ATOM 392 CG ASP C 25 34.825 11.301 23.506 1.00 0.00 C ATOM 393 OD1 ASP C 25 33.655 11.534 23.249 1.00 0.00 O ATOM 394 OD2 ASP C 25 35.225 10.244 23.967 1.00 0.00 O1- ATOM 0 H ASP C 25 35.328 12.109 20.842 1.00 0.00 H new ATOM 0 HA ASP C 25 34.253 13.774 22.852 1.00 0.00 H new ATOM 0 HB2 ASP C 25 36.712 11.988 22.710 1.00 0.00 H new ATOM 0 HB3 ASP C 25 36.218 12.808 24.178 1.00 0.00 H new ATOM 399 N ILE C 26 37.040 14.791 21.446 1.00 0.00 N ATOM 400 CA ILE C 26 37.943 15.922 21.306 1.00 0.00 C ATOM 401 C ILE C 26 37.231 17.109 20.656 1.00 0.00 C ATOM 402 O ILE C 26 37.468 18.258 21.011 1.00 0.00 O ATOM 403 CB ILE C 26 39.159 15.519 20.487 1.00 0.00 C ATOM 404 CG1 ILE C 26 39.991 14.515 21.290 1.00 0.00 C ATOM 405 CG2 ILE C 26 39.989 16.760 20.193 1.00 0.00 C ATOM 406 CD1 ILE C 26 41.062 13.914 20.385 1.00 0.00 C ATOM 0 H ILE C 26 37.193 14.045 20.767 1.00 0.00 H new ATOM 0 HA ILE C 26 38.272 16.227 22.299 1.00 0.00 H new ATOM 0 HB ILE C 26 38.847 15.060 19.549 1.00 0.00 H new ATOM 0 HG12 ILE C 26 40.455 15.009 22.144 1.00 0.00 H new ATOM 0 HG13 ILE C 26 39.350 13.728 21.687 1.00 0.00 H new ATOM 0 HG21 ILE C 26 40.864 16.482 19.606 1.00 0.00 H new ATOM 0 HG22 ILE C 26 39.388 17.475 19.632 1.00 0.00 H new ATOM 0 HG23 ILE C 26 40.311 17.213 21.131 1.00 0.00 H new ATOM 0 HD11 ILE C 26 41.658 13.198 20.952 1.00 0.00 H new ATOM 0 HD12 ILE C 26 40.586 13.406 19.546 1.00 0.00 H new ATOM 0 HD13 ILE C 26 41.708 14.707 20.010 1.00 0.00 H new ATOM 418 N PHE C 27 36.365 16.827 19.691 1.00 0.00 N ATOM 419 CA PHE C 27 35.638 17.887 18.998 1.00 0.00 C ATOM 420 C PHE C 27 34.794 18.710 19.968 1.00 0.00 C ATOM 421 O PHE C 27 34.669 19.926 19.815 1.00 0.00 O ATOM 422 CB PHE C 27 34.735 17.286 17.926 1.00 0.00 C ATOM 423 CG PHE C 27 35.354 17.501 16.565 1.00 0.00 C ATOM 424 CD1 PHE C 27 36.576 16.898 16.239 1.00 0.00 C ATOM 425 CD2 PHE C 27 34.701 18.310 15.626 1.00 0.00 C ATOM 426 CE1 PHE C 27 37.142 17.104 14.975 1.00 0.00 C ATOM 427 CE2 PHE C 27 35.268 18.515 14.364 1.00 0.00 C ATOM 428 CZ PHE C 27 36.487 17.912 14.038 1.00 0.00 C ATOM 0 H PHE C 27 36.149 15.883 19.371 1.00 0.00 H new ATOM 0 HA PHE C 27 36.373 18.546 18.536 1.00 0.00 H new ATOM 0 HB2 PHE C 27 34.595 16.221 18.109 1.00 0.00 H new ATOM 0 HB3 PHE C 27 33.749 17.748 17.966 1.00 0.00 H new ATOM 0 HD1 PHE C 27 37.081 16.275 16.962 1.00 0.00 H new ATOM 0 HD2 PHE C 27 33.759 18.776 15.877 1.00 0.00 H new ATOM 0 HE1 PHE C 27 38.084 16.640 14.723 1.00 0.00 H new ATOM 0 HE2 PHE C 27 34.764 19.139 13.641 1.00 0.00 H new ATOM 0 HZ PHE C 27 36.923 18.070 13.063 1.00 0.00 H new ATOM 438 N VAL C 28 34.210 18.049 20.957 1.00 0.00 N ATOM 439 CA VAL C 28 33.369 18.744 21.928 1.00 0.00 C ATOM 440 C VAL C 28 34.213 19.600 22.869 1.00 0.00 C ATOM 441 O VAL C 28 33.730 20.058 23.902 1.00 0.00 O ATOM 442 CB VAL C 28 32.548 17.731 22.727 1.00 0.00 C ATOM 443 CG1 VAL C 28 31.552 17.041 21.797 1.00 0.00 C ATOM 444 CG2 VAL C 28 33.477 16.680 23.322 1.00 0.00 C ATOM 0 H VAL C 28 34.299 17.044 21.110 1.00 0.00 H new ATOM 0 HA VAL C 28 32.692 19.404 21.386 1.00 0.00 H new ATOM 0 HB VAL C 28 32.015 18.247 23.525 1.00 0.00 H new ATOM 0 HG11 VAL C 28 30.965 16.318 22.364 1.00 0.00 H new ATOM 0 HG12 VAL C 28 30.887 17.785 21.360 1.00 0.00 H new ATOM 0 HG13 VAL C 28 32.092 16.526 21.003 1.00 0.00 H new ATOM 0 HG21 VAL C 28 32.892 15.958 23.892 1.00 0.00 H new ATOM 0 HG22 VAL C 28 34.006 16.166 22.520 1.00 0.00 H new ATOM 0 HG23 VAL C 28 34.198 17.163 23.981 1.00 0.00 H new ATOM 454 N LEU C 29 35.476 19.817 22.508 1.00 0.00 N ATOM 455 CA LEU C 29 36.362 20.630 23.335 1.00 0.00 C ATOM 456 C LEU C 29 35.703 21.962 23.685 1.00 0.00 C ATOM 457 O LEU C 29 35.851 22.464 24.797 1.00 0.00 O ATOM 458 CB LEU C 29 37.678 20.890 22.595 1.00 0.00 C ATOM 459 CG LEU C 29 37.392 21.638 21.283 1.00 0.00 C ATOM 460 CD1 LEU C 29 37.649 23.140 21.459 1.00 0.00 C ATOM 461 CD2 LEU C 29 38.305 21.109 20.175 1.00 0.00 C ATOM 0 H LEU C 29 35.904 19.446 21.660 1.00 0.00 H new ATOM 0 HA LEU C 29 36.564 20.085 24.257 1.00 0.00 H new ATOM 0 HB2 LEU C 29 38.349 21.477 23.221 1.00 0.00 H new ATOM 0 HB3 LEU C 29 38.182 19.946 22.385 1.00 0.00 H new ATOM 0 HG LEU C 29 36.348 21.477 21.015 1.00 0.00 H new ATOM 0 HD11 LEU C 29 37.442 23.657 20.522 1.00 0.00 H new ATOM 0 HD12 LEU C 29 36.998 23.531 22.240 1.00 0.00 H new ATOM 0 HD13 LEU C 29 38.690 23.301 21.740 1.00 0.00 H new ATOM 0 HD21 LEU C 29 38.098 21.643 19.247 1.00 0.00 H new ATOM 0 HD22 LEU C 29 39.347 21.263 20.457 1.00 0.00 H new ATOM 0 HD23 LEU C 29 38.122 20.044 20.030 1.00 0.00 H new ATOM 473 N GLY C 30 34.987 22.537 22.721 1.00 0.00 N ATOM 474 CA GLY C 30 34.327 23.822 22.933 1.00 0.00 C ATOM 475 C GLY C 30 32.960 23.639 23.581 1.00 0.00 C ATOM 476 O GLY C 30 32.263 24.613 23.862 1.00 0.00 O ATOM 0 H GLY C 30 34.850 22.137 21.793 1.00 0.00 H new ATOM 0 HA2 GLY C 30 34.950 24.454 23.565 1.00 0.00 H new ATOM 0 HA3 GLY C 30 34.214 24.338 21.979 1.00 0.00 H new ATOM 480 N ALA C 31 32.584 22.385 23.814 1.00 0.00 N ATOM 481 CA ALA C 31 31.297 22.081 24.432 1.00 0.00 C ATOM 482 C ALA C 31 31.488 21.148 25.624 1.00 0.00 C ATOM 483 O ALA C 31 31.679 19.944 25.460 1.00 0.00 O ATOM 484 CB ALA C 31 30.373 21.424 23.406 1.00 0.00 C ATOM 0 H ALA C 31 33.149 21.567 23.586 1.00 0.00 H new ATOM 0 HA ALA C 31 30.848 23.011 24.781 1.00 0.00 H new ATOM 0 HB1 ALA C 31 29.414 21.199 23.872 1.00 0.00 H new ATOM 0 HB2 ALA C 31 30.219 22.103 22.568 1.00 0.00 H new ATOM 0 HB3 ALA C 31 30.827 20.501 23.046 1.00 0.00 H new ATOM 490 N GLU C 32 31.429 21.712 26.823 1.00 0.00 N ATOM 491 CA GLU C 32 31.597 20.924 28.039 1.00 0.00 C ATOM 492 C GLU C 32 30.459 19.930 28.205 1.00 0.00 C ATOM 493 O GLU C 32 30.573 18.943 28.934 1.00 0.00 O ATOM 494 CB GLU C 32 31.652 21.852 29.248 1.00 0.00 C ATOM 495 CG GLU C 32 30.314 22.581 29.405 1.00 0.00 C ATOM 496 CD GLU C 32 30.421 23.628 30.508 1.00 0.00 C ATOM 497 OE1 GLU C 32 31.517 23.826 31.006 1.00 0.00 O ATOM 498 OE2 GLU C 32 29.405 24.215 30.841 1.00 0.00 O1- ATOM 0 H GLU C 32 31.267 22.707 26.981 1.00 0.00 H new ATOM 0 HA GLU C 32 32.530 20.366 27.962 1.00 0.00 H new ATOM 0 HB2 GLU C 32 31.872 21.278 30.148 1.00 0.00 H new ATOM 0 HB3 GLU C 32 32.458 22.575 29.126 1.00 0.00 H new ATOM 0 HG2 GLU C 32 30.037 23.058 28.465 1.00 0.00 H new ATOM 0 HG3 GLU C 32 29.526 21.867 29.645 1.00 0.00 H new ATOM 505 N ASP C 33 29.365 20.204 27.520 1.00 0.00 N ATOM 506 CA ASP C 33 28.193 19.338 27.585 1.00 0.00 C ATOM 507 C ASP C 33 28.479 17.994 26.923 1.00 0.00 C ATOM 508 O ASP C 33 27.747 17.026 27.124 1.00 0.00 O ATOM 509 CB ASP C 33 27.002 20.009 26.897 1.00 0.00 C ATOM 510 CG ASP C 33 27.471 20.768 25.662 1.00 0.00 C ATOM 511 OD1 ASP C 33 27.913 21.894 25.817 1.00 0.00 O ATOM 512 OD2 ASP C 33 27.386 20.213 24.581 1.00 0.00 O1- ATOM 0 H ASP C 33 29.259 21.016 26.912 1.00 0.00 H new ATOM 0 HA ASP C 33 27.952 19.167 28.634 1.00 0.00 H new ATOM 0 HB2 ASP C 33 26.265 19.258 26.614 1.00 0.00 H new ATOM 0 HB3 ASP C 33 26.510 20.693 27.589 1.00 0.00 H new ATOM 517 N GLY C 34 29.553 17.937 26.141 1.00 0.00 N ATOM 518 CA GLY C 34 29.927 16.700 25.466 1.00 0.00 C ATOM 519 C GLY C 34 29.191 16.557 24.141 1.00 0.00 C ATOM 520 O GLY C 34 29.191 15.486 23.533 1.00 0.00 O ATOM 0 H GLY C 34 30.174 18.726 25.960 1.00 0.00 H new ATOM 0 HA2 GLY C 34 31.003 16.688 25.292 1.00 0.00 H new ATOM 0 HA3 GLY C 34 29.698 15.848 26.107 1.00 0.00 H new ATOM 524 N CYS C 35 28.569 17.646 23.704 1.00 0.00 N ATOM 525 CA CYS C 35 27.830 17.645 22.444 1.00 0.00 C ATOM 526 C CYS C 35 28.316 18.770 21.531 1.00 0.00 C ATOM 527 O CYS C 35 28.820 19.791 22.000 1.00 0.00 O ATOM 528 CB CYS C 35 26.331 17.810 22.712 1.00 0.00 C ATOM 529 SG CYS C 35 25.738 16.411 23.696 1.00 0.00 S ATOM 0 H CYS C 35 28.561 18.537 24.200 1.00 0.00 H new ATOM 0 HA CYS C 35 28.005 16.691 21.947 1.00 0.00 H new ATOM 0 HB2 CYS C 35 26.146 18.745 23.241 1.00 0.00 H new ATOM 0 HB3 CYS C 35 25.786 17.863 21.770 1.00 0.00 H new ATOM 0 HG CYS C 35 24.466 16.551 23.926 1.00 0.00 H new ATOM 535 N ILE C 36 28.155 18.574 20.224 1.00 0.00 N ATOM 536 CA ILE C 36 28.574 19.574 19.244 1.00 0.00 C ATOM 537 C ILE C 36 27.405 20.474 18.862 1.00 0.00 C ATOM 538 O ILE C 36 26.336 19.998 18.480 1.00 0.00 O ATOM 539 CB ILE C 36 29.120 18.885 17.991 1.00 0.00 C ATOM 540 CG1 ILE C 36 30.409 18.132 18.339 1.00 0.00 C ATOM 541 CG2 ILE C 36 29.403 19.928 16.904 1.00 0.00 C ATOM 542 CD1 ILE C 36 30.798 17.220 17.174 1.00 0.00 C ATOM 0 H ILE C 36 27.739 17.735 19.820 1.00 0.00 H new ATOM 0 HA ILE C 36 29.357 20.185 19.692 1.00 0.00 H new ATOM 0 HB ILE C 36 28.380 18.177 17.618 1.00 0.00 H new ATOM 0 HG12 ILE C 36 31.212 18.840 18.544 1.00 0.00 H new ATOM 0 HG13 ILE C 36 30.265 17.542 19.244 1.00 0.00 H new ATOM 0 HG21 ILE C 36 29.791 19.431 16.015 1.00 0.00 H new ATOM 0 HG22 ILE C 36 28.480 20.452 16.653 1.00 0.00 H new ATOM 0 HG23 ILE C 36 30.139 20.644 17.270 1.00 0.00 H new ATOM 0 HD11 ILE C 36 31.715 16.685 17.421 1.00 0.00 H new ATOM 0 HD12 ILE C 36 29.998 16.503 16.990 1.00 0.00 H new ATOM 0 HD13 ILE C 36 30.959 17.821 16.279 1.00 0.00 H new ATOM 554 N SER C 37 27.623 21.778 18.976 1.00 0.00 N ATOM 555 CA SER C 37 26.589 22.754 18.649 1.00 0.00 C ATOM 556 C SER C 37 27.202 23.972 17.969 1.00 0.00 C ATOM 557 O SER C 37 28.371 23.958 17.583 1.00 0.00 O ATOM 558 CB SER C 37 25.853 23.183 19.918 1.00 0.00 C ATOM 559 OG SER C 37 26.745 23.894 20.765 1.00 0.00 O ATOM 0 H SER C 37 28.504 22.184 19.291 1.00 0.00 H new ATOM 0 HA SER C 37 25.879 22.291 17.964 1.00 0.00 H new ATOM 0 HB2 SER C 37 25.000 23.811 19.662 1.00 0.00 H new ATOM 0 HB3 SER C 37 25.461 22.308 20.437 1.00 0.00 H new ATOM 0 HG SER C 37 26.273 24.171 21.578 1.00 0.00 H new ATOM 565 N THR C 38 26.406 25.023 17.820 1.00 0.00 N ATOM 566 CA THR C 38 26.886 26.233 17.181 1.00 0.00 C ATOM 567 C THR C 38 28.080 26.795 17.943 1.00 0.00 C ATOM 568 O THR C 38 29.021 27.311 17.344 1.00 0.00 O ATOM 569 CB THR C 38 25.766 27.276 17.152 1.00 0.00 C ATOM 570 OG1 THR C 38 25.309 27.507 18.478 1.00 0.00 O ATOM 571 CG2 THR C 38 24.603 26.777 16.290 1.00 0.00 C ATOM 0 H THR C 38 25.435 25.059 18.131 1.00 0.00 H new ATOM 0 HA THR C 38 27.194 25.995 16.163 1.00 0.00 H new ATOM 0 HB THR C 38 26.149 28.203 16.725 1.00 0.00 H new ATOM 0 HG1 THR C 38 24.593 28.176 18.465 1.00 0.00 H new ATOM 0 HG21 THR C 38 23.812 27.527 16.277 1.00 0.00 H new ATOM 0 HG22 THR C 38 24.953 26.601 15.273 1.00 0.00 H new ATOM 0 HG23 THR C 38 24.214 25.847 16.706 1.00 0.00 H new ATOM 579 N LYS C 39 28.044 26.683 19.266 1.00 0.00 N ATOM 580 CA LYS C 39 29.142 27.182 20.078 1.00 0.00 C ATOM 581 C LYS C 39 30.431 26.430 19.762 1.00 0.00 C ATOM 582 O LYS C 39 31.494 27.035 19.625 1.00 0.00 O ATOM 583 CB LYS C 39 28.813 27.011 21.562 1.00 0.00 C ATOM 584 CG LYS C 39 27.682 27.963 21.952 1.00 0.00 C ATOM 585 CD LYS C 39 27.388 27.818 23.447 1.00 0.00 C ATOM 586 CE LYS C 39 26.228 28.738 23.830 1.00 0.00 C ATOM 587 NZ LYS C 39 24.977 28.239 23.192 1.00 0.00 N1+ ATOM 0 H LYS C 39 27.279 26.258 19.790 1.00 0.00 H new ATOM 0 HA LYS C 39 29.282 28.239 19.850 1.00 0.00 H new ATOM 0 HB2 LYS C 39 28.520 25.981 21.763 1.00 0.00 H new ATOM 0 HB3 LYS C 39 29.697 27.214 22.166 1.00 0.00 H new ATOM 0 HG2 LYS C 39 27.962 28.991 21.723 1.00 0.00 H new ATOM 0 HG3 LYS C 39 26.787 27.740 21.371 1.00 0.00 H new ATOM 0 HD2 LYS C 39 27.138 26.783 23.681 1.00 0.00 H new ATOM 0 HD3 LYS C 39 28.274 28.071 24.029 1.00 0.00 H new ATOM 0 HE2 LYS C 39 26.112 28.765 24.913 1.00 0.00 H new ATOM 0 HE3 LYS C 39 26.434 29.758 23.506 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 24.153 28.653 23.673 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 24.966 28.512 22.189 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 24.938 27.203 23.269 1.00 0.00 H new ATOM 601 N GLU C 40 30.333 25.110 19.640 1.00 0.00 N ATOM 602 CA GLU C 40 31.503 24.298 19.333 1.00 0.00 C ATOM 603 C GLU C 40 31.991 24.569 17.913 1.00 0.00 C ATOM 604 O GLU C 40 33.196 24.663 17.655 1.00 0.00 O ATOM 605 CB GLU C 40 31.155 22.818 19.481 1.00 0.00 C ATOM 606 CG GLU C 40 32.428 21.966 19.403 1.00 0.00 C ATOM 607 CD GLU C 40 32.894 21.837 17.956 1.00 0.00 C ATOM 608 OE1 GLU C 40 32.052 21.867 17.076 1.00 0.00 O ATOM 609 OE2 GLU C 40 34.089 21.709 17.752 1.00 0.00 O1- ATOM 0 H GLU C 40 29.465 24.585 19.748 1.00 0.00 H new ATOM 0 HA GLU C 40 32.299 24.560 20.030 1.00 0.00 H new ATOM 0 HB2 GLU C 40 30.652 22.648 20.433 1.00 0.00 H new ATOM 0 HB3 GLU C 40 30.460 22.520 18.696 1.00 0.00 H new ATOM 0 HG2 GLU C 40 33.214 22.420 20.006 1.00 0.00 H new ATOM 0 HG3 GLU C 40 32.237 20.977 19.820 1.00 0.00 H new ATOM 616 N LEU C 41 31.041 24.693 16.992 1.00 0.00 N ATOM 617 CA LEU C 41 31.373 24.950 15.598 1.00 0.00 C ATOM 618 C LEU C 41 32.065 26.296 15.463 1.00 0.00 C ATOM 619 O LEU C 41 32.871 26.504 14.555 1.00 0.00 O ATOM 620 CB LEU C 41 30.100 24.920 14.740 1.00 0.00 C ATOM 621 CG LEU C 41 30.141 23.737 13.769 1.00 0.00 C ATOM 622 CD1 LEU C 41 31.313 23.903 12.799 1.00 0.00 C ATOM 623 CD2 LEU C 41 30.297 22.436 14.557 1.00 0.00 C ATOM 0 H LEU C 41 30.042 24.620 17.185 1.00 0.00 H new ATOM 0 HA LEU C 41 32.052 24.172 15.248 1.00 0.00 H new ATOM 0 HB2 LEU C 41 29.222 24.842 15.382 1.00 0.00 H new ATOM 0 HB3 LEU C 41 30.006 25.853 14.184 1.00 0.00 H new ATOM 0 HG LEU C 41 29.212 23.704 13.199 1.00 0.00 H new ATOM 0 HD11 LEU C 41 31.338 23.059 12.110 1.00 0.00 H new ATOM 0 HD12 LEU C 41 31.190 24.828 12.235 1.00 0.00 H new ATOM 0 HD13 LEU C 41 32.247 23.941 13.360 1.00 0.00 H new ATOM 0 HD21 LEU C 41 30.326 21.593 13.866 1.00 0.00 H new ATOM 0 HD22 LEU C 41 31.223 22.467 15.131 1.00 0.00 H new ATOM 0 HD23 LEU C 41 29.453 22.319 15.237 1.00 0.00 H new ATOM 635 N GLY C 42 31.754 27.206 16.375 1.00 0.00 N ATOM 636 CA GLY C 42 32.360 28.525 16.349 1.00 0.00 C ATOM 637 C GLY C 42 33.875 28.426 16.501 1.00 0.00 C ATOM 638 O GLY C 42 34.619 29.148 15.840 1.00 0.00 O ATOM 0 H GLY C 42 31.091 27.055 17.135 1.00 0.00 H new ATOM 0 HA2 GLY C 42 32.116 29.024 15.412 1.00 0.00 H new ATOM 0 HA3 GLY C 42 31.948 29.136 17.152 1.00 0.00 H new ATOM 642 N LYS C 43 34.326 27.525 17.371 1.00 0.00 N ATOM 643 CA LYS C 43 35.753 27.345 17.589 1.00 0.00 C ATOM 644 C LYS C 43 36.393 26.674 16.384 1.00 0.00 C ATOM 645 O LYS C 43 37.487 27.044 15.959 1.00 0.00 O ATOM 646 CB LYS C 43 35.992 26.504 18.847 1.00 0.00 C ATOM 647 CG LYS C 43 36.043 27.418 20.076 1.00 0.00 C ATOM 648 CD LYS C 43 34.744 28.220 20.181 1.00 0.00 C ATOM 649 CE LYS C 43 34.475 28.563 21.648 1.00 0.00 C ATOM 650 NZ LYS C 43 34.234 27.308 22.415 1.00 0.00 N1+ ATOM 0 H LYS C 43 33.728 26.916 17.930 1.00 0.00 H new ATOM 0 HA LYS C 43 36.210 28.325 17.726 1.00 0.00 H new ATOM 0 HB2 LYS C 43 35.196 25.768 18.961 1.00 0.00 H new ATOM 0 HB3 LYS C 43 36.926 25.950 18.754 1.00 0.00 H new ATOM 0 HG2 LYS C 43 36.187 26.822 20.977 1.00 0.00 H new ATOM 0 HG3 LYS C 43 36.894 28.095 20.002 1.00 0.00 H new ATOM 0 HD2 LYS C 43 34.819 29.133 19.590 1.00 0.00 H new ATOM 0 HD3 LYS C 43 33.914 27.644 19.773 1.00 0.00 H new ATOM 0 HE2 LYS C 43 35.324 29.101 22.068 1.00 0.00 H new ATOM 0 HE3 LYS C 43 33.610 29.221 21.726 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 33.319 27.371 22.906 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 34.221 26.499 21.762 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 34.993 27.177 23.113 1.00 0.00 H new ATOM 664 N VAL C 44 35.700 25.687 15.837 1.00 0.00 N ATOM 665 CA VAL C 44 36.209 24.970 14.677 1.00 0.00 C ATOM 666 C VAL C 44 36.336 25.904 13.481 1.00 0.00 C ATOM 667 O VAL C 44 37.349 25.905 12.781 1.00 0.00 O ATOM 668 CB VAL C 44 35.263 23.832 14.326 1.00 0.00 C ATOM 669 CG1 VAL C 44 35.687 23.200 12.996 1.00 0.00 C ATOM 670 CG2 VAL C 44 35.309 22.774 15.429 1.00 0.00 C ATOM 0 H VAL C 44 34.792 25.366 16.173 1.00 0.00 H new ATOM 0 HA VAL C 44 37.195 24.573 14.920 1.00 0.00 H new ATOM 0 HB VAL C 44 34.249 24.221 14.234 1.00 0.00 H new ATOM 0 HG11 VAL C 44 35.007 22.385 12.747 1.00 0.00 H new ATOM 0 HG12 VAL C 44 35.654 23.953 12.209 1.00 0.00 H new ATOM 0 HG13 VAL C 44 36.702 22.812 13.085 1.00 0.00 H new ATOM 0 HG21 VAL C 44 34.631 21.958 15.179 1.00 0.00 H new ATOM 0 HG22 VAL C 44 36.324 22.388 15.521 1.00 0.00 H new ATOM 0 HG23 VAL C 44 35.004 23.221 16.375 1.00 0.00 H new ATOM 680 N MET C 45 35.299 26.702 13.254 1.00 0.00 N ATOM 681 CA MET C 45 35.308 27.636 12.141 1.00 0.00 C ATOM 682 C MET C 45 36.431 28.654 12.297 1.00 0.00 C ATOM 683 O MET C 45 37.105 29.004 11.327 1.00 0.00 O ATOM 684 CB MET C 45 33.964 28.362 12.042 1.00 0.00 C ATOM 685 CG MET C 45 32.961 27.501 11.274 1.00 0.00 C ATOM 686 SD MET C 45 33.252 27.705 9.498 1.00 0.00 S ATOM 687 CE MET C 45 31.803 26.793 8.913 1.00 0.00 C ATOM 0 H MET C 45 34.451 26.720 13.821 1.00 0.00 H new ATOM 0 HA MET C 45 35.476 27.067 11.226 1.00 0.00 H new ATOM 0 HB2 MET C 45 33.583 28.576 13.040 1.00 0.00 H new ATOM 0 HB3 MET C 45 34.095 29.320 11.538 1.00 0.00 H new ATOM 0 HG2 MET C 45 33.070 26.454 11.556 1.00 0.00 H new ATOM 0 HG3 MET C 45 31.942 27.795 11.525 1.00 0.00 H new ATOM 0 HE1 MET C 45 31.787 26.795 7.823 1.00 0.00 H new ATOM 0 HE2 MET C 45 31.850 25.765 9.273 1.00 0.00 H new ATOM 0 HE3 MET C 45 30.897 27.268 9.290 1.00 0.00 H new ATOM 697 N ARG C 46 36.629 29.122 13.523 1.00 0.00 N ATOM 698 CA ARG C 46 37.675 30.099 13.796 1.00 0.00 C ATOM 699 C ARG C 46 39.044 29.526 13.450 1.00 0.00 C ATOM 700 O ARG C 46 39.890 30.210 12.878 1.00 0.00 O ATOM 701 CB ARG C 46 37.638 30.499 15.274 1.00 0.00 C ATOM 702 CG ARG C 46 38.654 31.615 15.530 1.00 0.00 C ATOM 703 CD ARG C 46 37.931 32.853 16.060 1.00 0.00 C ATOM 704 NE ARG C 46 38.888 33.923 16.315 1.00 0.00 N ATOM 705 CZ ARG C 46 38.492 35.107 16.771 1.00 0.00 C ATOM 706 NH1 ARG C 46 37.226 35.326 16.999 1.00 0.00 N ATOM 707 NH2 ARG C 46 39.368 36.048 16.991 1.00 0.00 N1+ ATOM 0 H ARG C 46 36.083 28.843 14.339 1.00 0.00 H new ATOM 0 HA ARG C 46 37.500 30.980 13.178 1.00 0.00 H new ATOM 0 HB2 ARG C 46 36.637 30.835 15.545 1.00 0.00 H new ATOM 0 HB3 ARG C 46 37.865 29.636 15.900 1.00 0.00 H new ATOM 0 HG2 ARG C 46 39.402 31.282 16.250 1.00 0.00 H new ATOM 0 HG3 ARG C 46 39.184 31.857 14.609 1.00 0.00 H new ATOM 0 HD2 ARG C 46 37.186 33.186 15.337 1.00 0.00 H new ATOM 0 HD3 ARG C 46 37.397 32.606 16.978 1.00 0.00 H new ATOM 0 HE ARG C 46 39.880 33.760 16.140 1.00 0.00 H new ATOM 0 HH11 ARG C 46 36.542 34.589 16.827 1.00 0.00 H new ATOM 0 HH12 ARG C 46 36.920 36.234 17.349 1.00 0.00 H new ATOM 0 HH21 ARG C 46 40.357 35.875 16.813 1.00 0.00 H new ATOM 0 HH22 ARG C 46 39.064 36.956 17.341 1.00 0.00 H new ATOM 721 N MET C 47 39.255 28.262 13.795 1.00 0.00 N ATOM 722 CA MET C 47 40.525 27.607 13.514 1.00 0.00 C ATOM 723 C MET C 47 40.801 27.589 12.017 1.00 0.00 C ATOM 724 O MET C 47 41.934 27.795 11.578 1.00 0.00 O ATOM 725 CB MET C 47 40.506 26.180 14.060 1.00 0.00 C ATOM 726 CG MET C 47 41.867 25.529 13.826 1.00 0.00 C ATOM 727 SD MET C 47 41.932 23.937 14.684 1.00 0.00 S ATOM 728 CE MET C 47 43.622 23.494 14.214 1.00 0.00 C ATOM 0 H MET C 47 38.568 27.674 14.267 1.00 0.00 H new ATOM 0 HA MET C 47 41.321 28.168 14.004 1.00 0.00 H new ATOM 0 HB2 MET C 47 40.273 26.189 15.125 1.00 0.00 H new ATOM 0 HB3 MET C 47 39.724 25.601 13.568 1.00 0.00 H new ATOM 0 HG2 MET C 47 42.034 25.386 12.759 1.00 0.00 H new ATOM 0 HG3 MET C 47 42.661 26.182 14.188 1.00 0.00 H new ATOM 0 HE1 MET C 47 43.877 22.526 14.644 1.00 0.00 H new ATOM 0 HE2 MET C 47 43.695 23.439 13.128 1.00 0.00 H new ATOM 0 HE3 MET C 47 44.313 24.250 14.586 1.00 0.00 H new ATOM 738 N LEU C 48 39.757 27.344 11.243 1.00 0.00 N ATOM 739 CA LEU C 48 39.884 27.301 9.790 1.00 0.00 C ATOM 740 C LEU C 48 40.060 28.708 9.225 1.00 0.00 C ATOM 741 O LEU C 48 40.309 28.880 8.032 1.00 0.00 O ATOM 742 CB LEU C 48 38.640 26.660 9.173 1.00 0.00 C ATOM 743 CG LEU C 48 38.519 25.203 9.645 1.00 0.00 C ATOM 744 CD1 LEU C 48 37.213 24.591 9.125 1.00 0.00 C ATOM 745 CD2 LEU C 48 39.701 24.375 9.124 1.00 0.00 C ATOM 0 H LEU C 48 38.814 27.172 11.592 1.00 0.00 H new ATOM 0 HA LEU C 48 40.762 26.706 9.541 1.00 0.00 H new ATOM 0 HB2 LEU C 48 37.750 27.220 9.460 1.00 0.00 H new ATOM 0 HB3 LEU C 48 38.702 26.696 8.085 1.00 0.00 H new ATOM 0 HG LEU C 48 38.522 25.192 10.735 1.00 0.00 H new ATOM 0 HD11 LEU C 48 37.135 23.558 9.464 1.00 0.00 H new ATOM 0 HD12 LEU C 48 36.367 25.163 9.505 1.00 0.00 H new ATOM 0 HD13 LEU C 48 37.208 24.617 8.035 1.00 0.00 H new ATOM 0 HD21 LEU C 48 39.602 23.345 9.466 1.00 0.00 H new ATOM 0 HD22 LEU C 48 39.708 24.396 8.034 1.00 0.00 H new ATOM 0 HD23 LEU C 48 40.634 24.795 9.501 1.00 0.00 H new ATOM 757 N GLY C 49 39.928 29.712 10.087 1.00 0.00 N ATOM 758 CA GLY C 49 40.073 31.094 9.653 1.00 0.00 C ATOM 759 C GLY C 49 38.728 31.681 9.241 1.00 0.00 C ATOM 760 O GLY C 49 38.666 32.759 8.651 1.00 0.00 O ATOM 0 H GLY C 49 39.723 29.595 11.079 1.00 0.00 H new ATOM 0 HA2 GLY C 49 40.502 31.689 10.459 1.00 0.00 H new ATOM 0 HA3 GLY C 49 40.768 31.145 8.815 1.00 0.00 H new ATOM 764 N GLN C 50 37.656 30.964 9.557 1.00 0.00 N ATOM 765 CA GLN C 50 36.316 31.418 9.223 1.00 0.00 C ATOM 766 C GLN C 50 35.671 32.105 10.421 1.00 0.00 C ATOM 767 O GLN C 50 35.858 31.691 11.566 1.00 0.00 O ATOM 768 CB GLN C 50 35.456 30.226 8.799 1.00 0.00 C ATOM 769 CG GLN C 50 36.069 29.548 7.572 1.00 0.00 C ATOM 770 CD GLN C 50 35.838 30.405 6.333 1.00 0.00 C ATOM 771 OE1 GLN C 50 35.134 31.414 6.398 1.00 0.00 O ATOM 772 NE2 GLN C 50 36.376 30.054 5.198 1.00 0.00 N ATOM 0 H GLN C 50 37.691 30.068 10.043 1.00 0.00 H new ATOM 0 HA GLN C 50 36.387 32.131 8.401 1.00 0.00 H new ATOM 0 HB2 GLN C 50 35.380 29.512 9.619 1.00 0.00 H new ATOM 0 HB3 GLN C 50 34.444 30.560 8.572 1.00 0.00 H new ATOM 0 HG2 GLN C 50 37.137 29.397 7.726 1.00 0.00 H new ATOM 0 HG3 GLN C 50 35.625 28.563 7.431 1.00 0.00 H new ATOM 0 HE21 GLN C 50 36.959 29.218 5.147 1.00 0.00 H new ATOM 0 HE22 GLN C 50 36.214 30.615 4.362 1.00 0.00 H new ATOM 781 N ASN C 51 34.908 33.153 10.143 1.00 0.00 N ATOM 782 CA ASN C 51 34.222 33.901 11.192 1.00 0.00 C ATOM 783 C ASN C 51 32.750 34.087 10.842 1.00 0.00 C ATOM 784 O ASN C 51 32.297 35.202 10.581 1.00 0.00 O ATOM 785 CB ASN C 51 34.883 35.269 11.384 1.00 0.00 C ATOM 786 CG ASN C 51 36.311 35.091 11.887 1.00 0.00 C ATOM 787 OD1 ASN C 51 37.267 35.331 11.149 1.00 0.00 O ATOM 788 ND2 ASN C 51 36.513 34.688 13.112 1.00 0.00 N ATOM 0 H ASN C 51 34.747 33.506 9.200 1.00 0.00 H new ATOM 0 HA ASN C 51 34.294 33.334 12.120 1.00 0.00 H new ATOM 0 HB2 ASN C 51 34.886 35.816 10.441 1.00 0.00 H new ATOM 0 HB3 ASN C 51 34.309 35.863 12.095 1.00 0.00 H new ATOM 0 HD21 ASN C 51 37.465 34.571 13.460 1.00 0.00 H new ATOM 0 HD22 ASN C 51 35.719 34.490 13.721 1.00 0.00 H new ATOM 795 N PRO C 52 32.004 33.017 10.838 1.00 0.00 N ATOM 796 CA PRO C 52 30.551 33.049 10.521 1.00 0.00 C ATOM 797 C PRO C 52 29.735 33.625 11.662 1.00 0.00 C ATOM 798 O PRO C 52 30.284 34.189 12.609 1.00 0.00 O ATOM 799 CB PRO C 52 30.197 31.584 10.281 1.00 0.00 C ATOM 800 CG PRO C 52 31.197 30.805 11.065 1.00 0.00 C ATOM 801 CD PRO C 52 32.466 31.649 11.134 1.00 0.00 C ATOM 0 HA PRO C 52 30.332 33.687 9.664 1.00 0.00 H new ATOM 0 HB2 PRO C 52 29.181 31.365 10.611 1.00 0.00 H new ATOM 0 HB3 PRO C 52 30.248 31.335 9.221 1.00 0.00 H new ATOM 0 HG2 PRO C 52 30.821 30.592 12.066 1.00 0.00 H new ATOM 0 HG3 PRO C 52 31.398 29.845 10.589 1.00 0.00 H new ATOM 0 HD2 PRO C 52 32.931 31.589 12.118 1.00 0.00 H new ATOM 0 HD3 PRO C 52 33.208 31.313 10.410 1.00 0.00 H new ATOM 809 N THR C 53 28.423 33.485 11.561 1.00 0.00 N ATOM 810 CA THR C 53 27.529 34.004 12.591 1.00 0.00 C ATOM 811 C THR C 53 26.520 32.947 13.040 1.00 0.00 C ATOM 812 O THR C 53 26.241 32.000 12.307 1.00 0.00 O ATOM 813 CB THR C 53 26.792 35.239 12.066 1.00 0.00 C ATOM 814 OG1 THR C 53 26.659 35.155 10.653 1.00 0.00 O ATOM 815 CG2 THR C 53 27.574 36.498 12.448 1.00 0.00 C ATOM 0 H THR C 53 27.953 33.021 10.784 1.00 0.00 H new ATOM 0 HA THR C 53 28.134 34.279 13.455 1.00 0.00 H new ATOM 0 HB THR C 53 25.798 35.287 12.510 1.00 0.00 H new ATOM 0 HG1 THR C 53 26.185 35.946 10.321 1.00 0.00 H new ATOM 0 HG21 THR C 53 27.051 37.378 12.075 1.00 0.00 H new ATOM 0 HG22 THR C 53 27.658 36.559 13.533 1.00 0.00 H new ATOM 0 HG23 THR C 53 28.570 36.455 12.008 1.00 0.00 H new ATOM 823 N PRO C 54 25.960 33.093 14.223 1.00 0.00 N ATOM 824 CA PRO C 54 24.950 32.128 14.746 1.00 0.00 C ATOM 825 C PRO C 54 23.836 31.841 13.735 1.00 0.00 C ATOM 826 O PRO C 54 23.194 30.795 13.794 1.00 0.00 O ATOM 827 CB PRO C 54 24.367 32.839 15.968 1.00 0.00 C ATOM 828 CG PRO C 54 25.424 33.776 16.433 1.00 0.00 C ATOM 829 CD PRO C 54 26.237 34.172 15.200 1.00 0.00 C ATOM 0 HA PRO C 54 25.401 31.161 14.967 1.00 0.00 H new ATOM 0 HB2 PRO C 54 23.454 33.376 15.710 1.00 0.00 H new ATOM 0 HB3 PRO C 54 24.106 32.125 16.749 1.00 0.00 H new ATOM 0 HG2 PRO C 54 24.982 34.655 16.903 1.00 0.00 H new ATOM 0 HG3 PRO C 54 26.061 33.301 17.180 1.00 0.00 H new ATOM 0 HD2 PRO C 54 25.931 35.145 14.816 1.00 0.00 H new ATOM 0 HD3 PRO C 54 27.301 34.239 15.429 1.00 0.00 H new ATOM 837 N GLU C 55 23.594 32.787 12.829 1.00 0.00 N ATOM 838 CA GLU C 55 22.528 32.627 11.838 1.00 0.00 C ATOM 839 C GLU C 55 22.828 31.480 10.880 1.00 0.00 C ATOM 840 O GLU C 55 21.996 30.592 10.667 1.00 0.00 O ATOM 841 CB GLU C 55 22.405 33.914 11.022 1.00 0.00 C ATOM 842 CG GLU C 55 22.224 35.091 11.973 1.00 0.00 C ATOM 843 CD GLU C 55 21.911 36.364 11.190 1.00 0.00 C ATOM 844 OE1 GLU C 55 22.559 36.589 10.180 1.00 0.00 O ATOM 845 OE2 GLU C 55 21.030 37.092 11.612 1.00 0.00 O1- ATOM 0 H GLU C 55 24.113 33.662 12.759 1.00 0.00 H new ATOM 0 HA GLU C 55 21.602 32.409 12.370 1.00 0.00 H new ATOM 0 HB2 GLU C 55 23.296 34.058 10.410 1.00 0.00 H new ATOM 0 HB3 GLU C 55 21.557 33.848 10.340 1.00 0.00 H new ATOM 0 HG2 GLU C 55 21.416 34.880 12.674 1.00 0.00 H new ATOM 0 HG3 GLU C 55 23.129 35.233 12.563 1.00 0.00 H new ATOM 852 N GLU C 56 24.021 31.510 10.302 1.00 0.00 N ATOM 853 CA GLU C 56 24.424 30.479 9.347 1.00 0.00 C ATOM 854 C GLU C 56 24.828 29.201 10.065 1.00 0.00 C ATOM 855 O GLU C 56 24.610 28.097 9.563 1.00 0.00 O ATOM 856 CB GLU C 56 25.584 30.984 8.468 1.00 0.00 C ATOM 857 CG GLU C 56 26.921 30.854 9.205 1.00 0.00 C ATOM 858 CD GLU C 56 27.515 29.478 8.937 1.00 0.00 C ATOM 859 OE1 GLU C 56 27.640 29.124 7.777 1.00 0.00 O ATOM 860 OE2 GLU C 56 27.824 28.790 9.892 1.00 0.00 O1- ATOM 0 H GLU C 56 24.724 32.229 10.474 1.00 0.00 H new ATOM 0 HA GLU C 56 23.569 30.257 8.708 1.00 0.00 H new ATOM 0 HB2 GLU C 56 25.618 30.413 7.540 1.00 0.00 H new ATOM 0 HB3 GLU C 56 25.413 32.026 8.196 1.00 0.00 H new ATOM 0 HG2 GLU C 56 27.609 31.631 8.872 1.00 0.00 H new ATOM 0 HG3 GLU C 56 26.774 30.996 10.276 1.00 0.00 H new ATOM 867 N LEU C 57 25.411 29.352 11.247 1.00 0.00 N ATOM 868 CA LEU C 57 25.834 28.200 12.029 1.00 0.00 C ATOM 869 C LEU C 57 24.635 27.373 12.451 1.00 0.00 C ATOM 870 O LEU C 57 24.655 26.144 12.382 1.00 0.00 O ATOM 871 CB LEU C 57 26.590 28.677 13.270 1.00 0.00 C ATOM 872 CG LEU C 57 27.984 29.186 12.872 1.00 0.00 C ATOM 873 CD1 LEU C 57 28.583 29.999 14.024 1.00 0.00 C ATOM 874 CD2 LEU C 57 28.918 28.003 12.569 1.00 0.00 C ATOM 0 H LEU C 57 25.600 30.255 11.682 1.00 0.00 H new ATOM 0 HA LEU C 57 26.487 27.579 11.415 1.00 0.00 H new ATOM 0 HB2 LEU C 57 26.031 29.472 13.764 1.00 0.00 H new ATOM 0 HB3 LEU C 57 26.683 27.860 13.986 1.00 0.00 H new ATOM 0 HG LEU C 57 27.884 29.809 11.983 1.00 0.00 H new ATOM 0 HD11 LEU C 57 29.572 30.359 13.740 1.00 0.00 H new ATOM 0 HD12 LEU C 57 27.937 30.849 14.244 1.00 0.00 H new ATOM 0 HD13 LEU C 57 28.667 29.368 14.909 1.00 0.00 H new ATOM 0 HD21 LEU C 57 29.902 28.379 12.288 1.00 0.00 H new ATOM 0 HD22 LEU C 57 29.009 27.375 13.455 1.00 0.00 H new ATOM 0 HD23 LEU C 57 28.507 27.415 11.748 1.00 0.00 H new ATOM 886 N GLN C 58 23.590 28.059 12.881 1.00 0.00 N ATOM 887 CA GLN C 58 22.382 27.371 13.307 1.00 0.00 C ATOM 888 C GLN C 58 21.714 26.687 12.129 1.00 0.00 C ATOM 889 O GLN C 58 21.279 25.542 12.231 1.00 0.00 O ATOM 890 CB GLN C 58 21.405 28.358 13.957 1.00 0.00 C ATOM 891 CG GLN C 58 20.162 27.618 14.477 1.00 0.00 C ATOM 892 CD GLN C 58 20.553 26.599 15.543 1.00 0.00 C ATOM 893 OE1 GLN C 58 20.042 25.397 15.505 1.00 0.00 O flip ATOM 894 NE2 GLN C 58 21.333 26.910 16.443 1.00 0.00 N flip ATOM 0 H GLN C 58 23.552 29.076 12.944 1.00 0.00 H new ATOM 0 HA GLN C 58 22.662 26.615 14.040 1.00 0.00 H new ATOM 0 HB2 GLN C 58 21.897 28.878 14.779 1.00 0.00 H new ATOM 0 HB3 GLN C 58 21.108 29.116 13.232 1.00 0.00 H new ATOM 0 HG2 GLN C 58 19.453 28.334 14.893 1.00 0.00 H new ATOM 0 HG3 GLN C 58 19.659 27.114 13.651 1.00 0.00 H new ATOM 0 HE21 GLN C 58 21.731 27.849 16.471 1.00 0.00 H new ATOM 0 HE22 GLN C 58 21.581 26.229 17.161 1.00 0.00 H new ATOM 903 N GLU C 59 21.628 27.394 11.011 1.00 0.00 N ATOM 904 CA GLU C 59 20.992 26.838 9.833 1.00 0.00 C ATOM 905 C GLU C 59 21.753 25.610 9.337 1.00 0.00 C ATOM 906 O GLU C 59 21.150 24.643 8.876 1.00 0.00 O ATOM 907 CB GLU C 59 20.938 27.900 8.731 1.00 0.00 C ATOM 908 CG GLU C 59 19.857 27.543 7.708 1.00 0.00 C ATOM 909 CD GLU C 59 20.301 26.356 6.862 1.00 0.00 C ATOM 910 OE1 GLU C 59 21.493 26.229 6.637 1.00 0.00 O ATOM 911 OE2 GLU C 59 19.443 25.590 6.457 1.00 0.00 O1- ATOM 0 H GLU C 59 21.987 28.342 10.898 1.00 0.00 H new ATOM 0 HA GLU C 59 19.979 26.531 10.093 1.00 0.00 H new ATOM 0 HB2 GLU C 59 20.729 28.877 9.167 1.00 0.00 H new ATOM 0 HB3 GLU C 59 21.907 27.972 8.237 1.00 0.00 H new ATOM 0 HG2 GLU C 59 18.926 27.304 8.221 1.00 0.00 H new ATOM 0 HG3 GLU C 59 19.656 28.401 7.066 1.00 0.00 H new ATOM 918 N MET C 60 23.078 25.654 9.429 1.00 0.00 N ATOM 919 CA MET C 60 23.902 24.543 8.981 1.00 0.00 C ATOM 920 C MET C 60 23.565 23.277 9.764 1.00 0.00 C ATOM 921 O MET C 60 23.364 22.202 9.191 1.00 0.00 O ATOM 922 CB MET C 60 25.375 24.904 9.181 1.00 0.00 C ATOM 923 CG MET C 60 26.254 23.758 8.684 1.00 0.00 C ATOM 924 SD MET C 60 28.007 24.184 8.882 1.00 0.00 S ATOM 925 CE MET C 60 28.161 25.324 7.482 1.00 0.00 C ATOM 0 H MET C 60 23.600 26.444 9.808 1.00 0.00 H new ATOM 0 HA MET C 60 23.707 24.354 7.925 1.00 0.00 H new ATOM 0 HB2 MET C 60 25.613 25.820 8.639 1.00 0.00 H new ATOM 0 HB3 MET C 60 25.573 25.097 10.235 1.00 0.00 H new ATOM 0 HG2 MET C 60 26.028 22.848 9.240 1.00 0.00 H new ATOM 0 HG3 MET C 60 26.038 23.552 7.636 1.00 0.00 H new ATOM 0 HE1 MET C 60 28.949 24.976 6.814 1.00 0.00 H new ATOM 0 HE2 MET C 60 27.217 25.363 6.939 1.00 0.00 H new ATOM 0 HE3 MET C 60 28.410 26.320 7.849 1.00 0.00 H new ATOM 935 N ILE C 61 23.504 23.412 11.081 1.00 0.00 N ATOM 936 CA ILE C 61 23.193 22.276 11.932 1.00 0.00 C ATOM 937 C ILE C 61 21.795 21.759 11.633 1.00 0.00 C ATOM 938 O ILE C 61 21.555 20.554 11.640 1.00 0.00 O ATOM 939 CB ILE C 61 23.297 22.658 13.400 1.00 0.00 C ATOM 940 CG1 ILE C 61 24.761 22.957 13.732 1.00 0.00 C ATOM 941 CG2 ILE C 61 22.807 21.483 14.248 1.00 0.00 C ATOM 942 CD1 ILE C 61 24.865 23.529 15.146 1.00 0.00 C ATOM 0 H ILE C 61 23.664 24.288 11.578 1.00 0.00 H new ATOM 0 HA ILE C 61 23.917 21.488 11.724 1.00 0.00 H new ATOM 0 HB ILE C 61 22.690 23.539 13.608 1.00 0.00 H new ATOM 0 HG12 ILE C 61 25.355 22.046 13.654 1.00 0.00 H new ATOM 0 HG13 ILE C 61 25.169 23.666 13.012 1.00 0.00 H new ATOM 0 HG21 ILE C 61 22.876 21.743 15.304 1.00 0.00 H new ATOM 0 HG22 ILE C 61 21.770 21.260 13.996 1.00 0.00 H new ATOM 0 HG23 ILE C 61 23.425 20.608 14.049 1.00 0.00 H new ATOM 0 HD11 ILE C 61 25.909 23.740 15.377 1.00 0.00 H new ATOM 0 HD12 ILE C 61 24.286 24.450 15.209 1.00 0.00 H new ATOM 0 HD13 ILE C 61 24.474 22.805 15.861 1.00 0.00 H new ATOM 954 N ASP C 62 20.868 22.678 11.385 1.00 0.00 N ATOM 955 CA ASP C 62 19.490 22.298 11.095 1.00 0.00 C ATOM 956 C ASP C 62 19.434 21.373 9.883 1.00 0.00 C ATOM 957 O ASP C 62 18.688 20.394 9.873 1.00 0.00 O ATOM 958 CB ASP C 62 18.652 23.548 10.814 1.00 0.00 C ATOM 959 CG ASP C 62 18.256 24.225 12.122 1.00 0.00 C ATOM 960 OD1 ASP C 62 17.215 23.876 12.653 1.00 0.00 O1- ATOM 961 OD2 ASP C 62 18.996 25.084 12.570 1.00 0.00 O ATOM 0 H ASP C 62 21.043 23.683 11.379 1.00 0.00 H new ATOM 0 HA ASP C 62 19.088 21.774 11.962 1.00 0.00 H new ATOM 0 HB2 ASP C 62 19.219 24.243 10.194 1.00 0.00 H new ATOM 0 HB3 ASP C 62 17.758 23.276 10.252 1.00 0.00 H new ATOM 966 N GLU C 63 20.232 21.679 8.866 1.00 0.00 N ATOM 967 CA GLU C 63 20.264 20.850 7.670 1.00 0.00 C ATOM 968 C GLU C 63 20.768 19.454 8.016 1.00 0.00 C ATOM 969 O GLU C 63 20.260 18.454 7.508 1.00 0.00 O ATOM 970 CB GLU C 63 21.177 21.483 6.619 1.00 0.00 C ATOM 971 CG GLU C 63 20.533 22.769 6.097 1.00 0.00 C ATOM 972 CD GLU C 63 21.447 23.434 5.075 1.00 0.00 C ATOM 973 OE1 GLU C 63 22.494 22.875 4.793 1.00 0.00 O ATOM 974 OE2 GLU C 63 21.089 24.497 4.591 1.00 0.00 O1- ATOM 0 H GLU C 63 20.857 22.485 8.846 1.00 0.00 H new ATOM 0 HA GLU C 63 19.254 20.775 7.267 1.00 0.00 H new ATOM 0 HB2 GLU C 63 22.153 21.702 7.053 1.00 0.00 H new ATOM 0 HB3 GLU C 63 21.342 20.786 5.797 1.00 0.00 H new ATOM 0 HG2 GLU C 63 19.569 22.543 5.642 1.00 0.00 H new ATOM 0 HG3 GLU C 63 20.343 23.452 6.925 1.00 0.00 H new ATOM 981 N VAL C 64 21.768 19.398 8.890 1.00 0.00 N ATOM 982 CA VAL C 64 22.332 18.119 9.307 1.00 0.00 C ATOM 983 C VAL C 64 21.414 17.433 10.316 1.00 0.00 C ATOM 984 O VAL C 64 21.338 16.205 10.368 1.00 0.00 O ATOM 985 CB VAL C 64 23.717 18.324 9.925 1.00 0.00 C ATOM 986 CG1 VAL C 64 24.289 16.973 10.367 1.00 0.00 C ATOM 987 CG2 VAL C 64 24.646 18.954 8.885 1.00 0.00 C ATOM 0 H VAL C 64 22.201 20.215 9.320 1.00 0.00 H new ATOM 0 HA VAL C 64 22.426 17.484 8.426 1.00 0.00 H new ATOM 0 HB VAL C 64 23.635 18.982 10.790 1.00 0.00 H new ATOM 0 HG11 VAL C 64 25.275 17.122 10.807 1.00 0.00 H new ATOM 0 HG12 VAL C 64 23.627 16.522 11.106 1.00 0.00 H new ATOM 0 HG13 VAL C 64 24.373 16.313 9.503 1.00 0.00 H new ATOM 0 HG21 VAL C 64 25.634 19.102 9.321 1.00 0.00 H new ATOM 0 HG22 VAL C 64 24.726 18.294 8.021 1.00 0.00 H new ATOM 0 HG23 VAL C 64 24.241 19.916 8.570 1.00 0.00 H new ATOM 997 N ASP C 65 20.722 18.238 11.118 1.00 0.00 N ATOM 998 CA ASP C 65 19.811 17.706 12.127 1.00 0.00 C ATOM 999 C ASP C 65 18.420 17.484 11.542 1.00 0.00 C ATOM 1000 O ASP C 65 17.775 18.421 11.069 1.00 0.00 O ATOM 1001 CB ASP C 65 19.699 18.676 13.306 1.00 0.00 C ATOM 1002 CG ASP C 65 20.952 18.621 14.171 1.00 0.00 C ATOM 1003 OD1 ASP C 65 21.760 17.732 13.961 1.00 0.00 O ATOM 1004 OD2 ASP C 65 21.073 19.466 15.044 1.00 0.00 O1- ATOM 0 H ASP C 65 20.774 19.256 11.089 1.00 0.00 H new ATOM 0 HA ASP C 65 20.215 16.753 12.468 1.00 0.00 H new ATOM 0 HB2 ASP C 65 19.551 19.690 12.936 1.00 0.00 H new ATOM 0 HB3 ASP C 65 18.825 18.426 13.907 1.00 0.00 H new ATOM 1009 N GLU C 66 17.961 16.240 11.590 1.00 0.00 N ATOM 1010 CA GLU C 66 16.640 15.901 11.080 1.00 0.00 C ATOM 1011 C GLU C 66 15.554 16.515 11.960 1.00 0.00 C ATOM 1012 O GLU C 66 14.535 16.996 11.464 1.00 0.00 O ATOM 1013 CB GLU C 66 16.473 14.381 11.027 1.00 0.00 C ATOM 1014 CG GLU C 66 17.401 13.809 9.951 1.00 0.00 C ATOM 1015 CD GLU C 66 17.302 12.289 9.931 1.00 0.00 C ATOM 1016 OE1 GLU C 66 16.373 11.783 9.322 1.00 0.00 O ATOM 1017 OE2 GLU C 66 18.156 11.652 10.524 1.00 0.00 O1- ATOM 0 H GLU C 66 18.482 15.452 11.975 1.00 0.00 H new ATOM 0 HA GLU C 66 16.542 16.306 10.073 1.00 0.00 H new ATOM 0 HB2 GLU C 66 16.708 13.943 11.997 1.00 0.00 H new ATOM 0 HB3 GLU C 66 15.437 14.125 10.805 1.00 0.00 H new ATOM 0 HG2 GLU C 66 17.131 14.212 8.975 1.00 0.00 H new ATOM 0 HG3 GLU C 66 18.429 14.112 10.148 1.00 0.00 H new ATOM 1024 N ASP C 67 15.783 16.493 13.271 1.00 0.00 N ATOM 1025 CA ASP C 67 14.820 17.048 14.216 1.00 0.00 C ATOM 1026 C ASP C 67 14.989 18.553 14.345 1.00 0.00 C ATOM 1027 O ASP C 67 14.147 19.233 14.932 1.00 0.00 O ATOM 1028 CB ASP C 67 14.996 16.384 15.583 1.00 0.00 C ATOM 1029 CG ASP C 67 16.401 16.645 16.111 1.00 0.00 C ATOM 1030 OD1 ASP C 67 17.145 17.341 15.438 1.00 0.00 O ATOM 1031 OD2 ASP C 67 16.714 16.144 17.177 1.00 0.00 O1- ATOM 0 H ASP C 67 16.621 16.100 13.700 1.00 0.00 H new ATOM 0 HA ASP C 67 13.816 16.849 13.841 1.00 0.00 H new ATOM 0 HB2 ASP C 67 14.257 16.773 16.283 1.00 0.00 H new ATOM 0 HB3 ASP C 67 14.823 15.311 15.500 1.00 0.00 H new ATOM 1036 N GLY C 68 16.073 19.071 13.789 1.00 0.00 N ATOM 1037 CA GLY C 68 16.324 20.500 13.847 1.00 0.00 C ATOM 1038 C GLY C 68 16.597 20.935 15.278 1.00 0.00 C ATOM 1039 O GLY C 68 16.397 22.097 15.634 1.00 0.00 O ATOM 0 H GLY C 68 16.785 18.530 13.298 1.00 0.00 H new ATOM 0 HA2 GLY C 68 17.176 20.751 13.215 1.00 0.00 H new ATOM 0 HA3 GLY C 68 15.464 21.042 13.453 1.00 0.00 H new ATOM 1043 N SER C 69 17.048 19.994 16.099 1.00 0.00 N ATOM 1044 CA SER C 69 17.331 20.293 17.496 1.00 0.00 C ATOM 1045 C SER C 69 18.360 21.413 17.608 1.00 0.00 C ATOM 1046 O SER C 69 18.331 22.192 18.560 1.00 0.00 O ATOM 1047 CB SER C 69 17.862 19.049 18.208 1.00 0.00 C ATOM 1048 OG SER C 69 19.086 18.652 17.607 1.00 0.00 O ATOM 0 H SER C 69 17.224 19.027 15.825 1.00 0.00 H new ATOM 0 HA SER C 69 16.402 20.613 17.967 1.00 0.00 H new ATOM 0 HB2 SER C 69 18.014 19.259 19.267 1.00 0.00 H new ATOM 0 HB3 SER C 69 17.133 18.241 18.145 1.00 0.00 H new ATOM 0 HG SER C 69 18.900 18.146 16.789 1.00 0.00 H new ATOM 1054 N GLY C 70 19.267 21.497 16.636 1.00 0.00 N ATOM 1055 CA GLY C 70 20.287 22.538 16.658 1.00 0.00 C ATOM 1056 C GLY C 70 21.628 21.982 17.121 1.00 0.00 C ATOM 1057 O GLY C 70 22.622 22.705 17.175 1.00 0.00 O ATOM 0 H GLY C 70 19.315 20.866 15.836 1.00 0.00 H new ATOM 0 HA2 GLY C 70 20.393 22.969 15.662 1.00 0.00 H new ATOM 0 HA3 GLY C 70 19.975 23.344 17.323 1.00 0.00 H new ATOM 1061 N THR C 71 21.651 20.692 17.446 1.00 0.00 N ATOM 1062 CA THR C 71 22.879 20.044 17.897 1.00 0.00 C ATOM 1063 C THR C 71 23.108 18.748 17.126 1.00 0.00 C ATOM 1064 O THR C 71 22.163 18.139 16.626 1.00 0.00 O ATOM 1065 CB THR C 71 22.785 19.735 19.393 1.00 0.00 C ATOM 1066 OG1 THR C 71 21.807 18.728 19.608 1.00 0.00 O ATOM 1067 CG2 THR C 71 22.377 21.002 20.147 1.00 0.00 C ATOM 0 H THR C 71 20.838 20.078 17.406 1.00 0.00 H new ATOM 0 HA THR C 71 23.715 20.719 17.716 1.00 0.00 H new ATOM 0 HB THR C 71 23.753 19.387 19.754 1.00 0.00 H new ATOM 0 HG1 THR C 71 21.748 18.529 20.566 1.00 0.00 H new ATOM 0 HG21 THR C 71 22.309 20.785 21.213 1.00 0.00 H new ATOM 0 HG22 THR C 71 23.123 21.780 19.982 1.00 0.00 H new ATOM 0 HG23 THR C 71 21.408 21.345 19.784 1.00 0.00 H new ATOM 1075 N VAL C 72 24.366 18.328 17.036 1.00 0.00 N ATOM 1076 CA VAL C 72 24.700 17.103 16.320 1.00 0.00 C ATOM 1077 C VAL C 72 24.988 15.976 17.308 1.00 0.00 C ATOM 1078 O VAL C 72 25.818 16.123 18.205 1.00 0.00 O ATOM 1079 CB VAL C 72 25.925 17.337 15.436 1.00 0.00 C ATOM 1080 CG1 VAL C 72 26.239 16.065 14.648 1.00 0.00 C ATOM 1081 CG2 VAL C 72 25.652 18.491 14.468 1.00 0.00 C ATOM 0 H VAL C 72 25.164 18.813 17.446 1.00 0.00 H new ATOM 0 HA VAL C 72 23.853 16.819 15.696 1.00 0.00 H new ATOM 0 HB VAL C 72 26.779 17.592 16.064 1.00 0.00 H new ATOM 0 HG11 VAL C 72 27.113 16.233 14.018 1.00 0.00 H new ATOM 0 HG12 VAL C 72 26.443 15.249 15.341 1.00 0.00 H new ATOM 0 HG13 VAL C 72 25.385 15.805 14.022 1.00 0.00 H new ATOM 0 HG21 VAL C 72 26.528 18.654 13.840 1.00 0.00 H new ATOM 0 HG22 VAL C 72 24.796 18.244 13.840 1.00 0.00 H new ATOM 0 HG23 VAL C 72 25.437 19.398 15.034 1.00 0.00 H new ATOM 1091 N ASP C 73 24.291 14.857 17.142 1.00 0.00 N ATOM 1092 CA ASP C 73 24.470 13.714 18.031 1.00 0.00 C ATOM 1093 C ASP C 73 25.570 12.795 17.510 1.00 0.00 C ATOM 1094 O ASP C 73 26.153 13.045 16.456 1.00 0.00 O ATOM 1095 CB ASP C 73 23.158 12.938 18.147 1.00 0.00 C ATOM 1096 CG ASP C 73 22.805 12.733 19.615 1.00 0.00 C ATOM 1097 OD1 ASP C 73 23.569 12.078 20.304 1.00 0.00 O ATOM 1098 OD2 ASP C 73 21.777 13.241 20.033 1.00 0.00 O1- ATOM 0 H ASP C 73 23.600 14.717 16.404 1.00 0.00 H new ATOM 0 HA ASP C 73 24.762 14.081 19.015 1.00 0.00 H new ATOM 0 HB2 ASP C 73 22.358 13.482 17.644 1.00 0.00 H new ATOM 0 HB3 ASP C 73 23.251 11.973 17.648 1.00 0.00 H new ATOM 1103 N PHE C 74 25.858 11.738 18.263 1.00 0.00 N ATOM 1104 CA PHE C 74 26.908 10.805 17.872 1.00 0.00 C ATOM 1105 C PHE C 74 26.581 10.163 16.522 1.00 0.00 C ATOM 1106 O PHE C 74 27.413 10.147 15.614 1.00 0.00 O ATOM 1107 CB PHE C 74 27.040 9.715 18.940 1.00 0.00 C ATOM 1108 CG PHE C 74 28.393 9.062 18.829 1.00 0.00 C ATOM 1109 CD1 PHE C 74 29.536 9.783 19.188 1.00 0.00 C ATOM 1110 CD2 PHE C 74 28.510 7.740 18.379 1.00 0.00 C ATOM 1111 CE1 PHE C 74 30.797 9.189 19.095 1.00 0.00 C ATOM 1112 CE2 PHE C 74 29.774 7.145 18.286 1.00 0.00 C ATOM 1113 CZ PHE C 74 30.915 7.871 18.644 1.00 0.00 C ATOM 0 H PHE C 74 25.385 11.508 19.137 1.00 0.00 H new ATOM 0 HA PHE C 74 27.848 11.350 17.780 1.00 0.00 H new ATOM 0 HB2 PHE C 74 26.914 10.147 19.933 1.00 0.00 H new ATOM 0 HB3 PHE C 74 26.254 8.971 18.814 1.00 0.00 H new ATOM 0 HD1 PHE C 74 29.444 10.801 19.538 1.00 0.00 H new ATOM 0 HD2 PHE C 74 27.627 7.181 18.105 1.00 0.00 H new ATOM 0 HE1 PHE C 74 31.679 9.747 19.371 1.00 0.00 H new ATOM 0 HE2 PHE C 74 29.868 6.127 17.938 1.00 0.00 H new ATOM 0 HZ PHE C 74 31.890 7.412 18.572 1.00 0.00 H new ATOM 1123 N ASP C 75 25.361 9.651 16.395 1.00 0.00 N ATOM 1124 CA ASP C 75 24.921 9.026 15.152 1.00 0.00 C ATOM 1125 C ASP C 75 24.834 10.058 14.034 1.00 0.00 C ATOM 1126 O ASP C 75 25.204 9.786 12.891 1.00 0.00 O ATOM 1127 CB ASP C 75 23.553 8.368 15.356 1.00 0.00 C ATOM 1128 CG ASP C 75 23.698 7.124 16.227 1.00 0.00 C ATOM 1129 OD1 ASP C 75 23.607 7.255 17.437 1.00 0.00 O ATOM 1130 OD2 ASP C 75 23.886 6.053 15.670 1.00 0.00 O1- ATOM 0 H ASP C 75 24.660 9.656 17.136 1.00 0.00 H new ATOM 0 HA ASP C 75 25.650 8.266 14.869 1.00 0.00 H new ATOM 0 HB2 ASP C 75 22.867 9.073 15.826 1.00 0.00 H new ATOM 0 HB3 ASP C 75 23.122 8.099 14.392 1.00 0.00 H new ATOM 1135 N GLU C 76 24.341 11.244 14.374 1.00 0.00 N ATOM 1136 CA GLU C 76 24.208 12.313 13.393 1.00 0.00 C ATOM 1137 C GLU C 76 25.579 12.727 12.872 1.00 0.00 C ATOM 1138 O GLU C 76 25.747 13.009 11.686 1.00 0.00 O ATOM 1139 CB GLU C 76 23.505 13.522 14.013 1.00 0.00 C ATOM 1140 CG GLU C 76 22.037 13.183 14.281 1.00 0.00 C ATOM 1141 CD GLU C 76 21.328 14.385 14.898 1.00 0.00 C ATOM 1142 OE1 GLU C 76 22.004 15.350 15.213 1.00 0.00 O ATOM 1143 OE2 GLU C 76 20.118 14.323 15.043 1.00 0.00 O1- ATOM 0 H GLU C 76 24.029 11.488 15.314 1.00 0.00 H new ATOM 0 HA GLU C 76 23.608 11.943 12.562 1.00 0.00 H new ATOM 0 HB2 GLU C 76 23.999 13.805 14.943 1.00 0.00 H new ATOM 0 HB3 GLU C 76 23.574 14.378 13.342 1.00 0.00 H new ATOM 0 HG2 GLU C 76 21.545 12.898 13.351 1.00 0.00 H new ATOM 0 HG3 GLU C 76 21.970 12.327 14.952 1.00 0.00 H new ATOM 1150 N PHE C 77 26.556 12.770 13.770 1.00 0.00 N ATOM 1151 CA PHE C 77 27.904 13.158 13.391 1.00 0.00 C ATOM 1152 C PHE C 77 28.469 12.161 12.384 1.00 0.00 C ATOM 1153 O PHE C 77 29.105 12.545 11.406 1.00 0.00 O ATOM 1154 CB PHE C 77 28.806 13.203 14.624 1.00 0.00 C ATOM 1155 CG PHE C 77 30.103 13.892 14.275 1.00 0.00 C ATOM 1156 CD1 PHE C 77 30.194 15.285 14.377 1.00 0.00 C ATOM 1157 CD2 PHE C 77 31.212 13.146 13.860 1.00 0.00 C ATOM 1158 CE1 PHE C 77 31.394 15.932 14.065 1.00 0.00 C ATOM 1159 CE2 PHE C 77 32.413 13.795 13.548 1.00 0.00 C ATOM 1160 CZ PHE C 77 32.504 15.188 13.652 1.00 0.00 C ATOM 0 H PHE C 77 26.439 12.542 14.757 1.00 0.00 H new ATOM 0 HA PHE C 77 27.868 14.149 12.938 1.00 0.00 H new ATOM 0 HB2 PHE C 77 28.306 13.734 15.434 1.00 0.00 H new ATOM 0 HB3 PHE C 77 29.003 12.192 14.980 1.00 0.00 H new ATOM 0 HD1 PHE C 77 29.338 15.860 14.697 1.00 0.00 H new ATOM 0 HD2 PHE C 77 31.142 12.071 13.780 1.00 0.00 H new ATOM 0 HE1 PHE C 77 31.464 17.007 14.143 1.00 0.00 H new ATOM 0 HE2 PHE C 77 33.269 13.221 13.227 1.00 0.00 H new ATOM 0 HZ PHE C 77 33.431 15.688 13.413 1.00 0.00 H new ATOM 1170 N LEU C 78 28.230 10.875 12.624 1.00 0.00 N ATOM 1171 CA LEU C 78 28.726 9.848 11.712 1.00 0.00 C ATOM 1172 C LEU C 78 28.122 10.019 10.323 1.00 0.00 C ATOM 1173 O LEU C 78 28.799 9.839 9.309 1.00 0.00 O ATOM 1174 CB LEU C 78 28.388 8.459 12.254 1.00 0.00 C ATOM 1175 CG LEU C 78 29.272 8.161 13.471 1.00 0.00 C ATOM 1176 CD1 LEU C 78 28.765 6.898 14.168 1.00 0.00 C ATOM 1177 CD2 LEU C 78 30.732 7.945 13.034 1.00 0.00 C ATOM 0 H LEU C 78 27.707 10.523 13.426 1.00 0.00 H new ATOM 0 HA LEU C 78 29.808 9.953 11.635 1.00 0.00 H new ATOM 0 HB2 LEU C 78 27.336 8.412 12.534 1.00 0.00 H new ATOM 0 HB3 LEU C 78 28.547 7.706 11.482 1.00 0.00 H new ATOM 0 HG LEU C 78 29.228 9.009 14.154 1.00 0.00 H new ATOM 0 HD11 LEU C 78 29.392 6.684 15.034 1.00 0.00 H new ATOM 0 HD12 LEU C 78 27.736 7.050 14.494 1.00 0.00 H new ATOM 0 HD13 LEU C 78 28.805 6.058 13.474 1.00 0.00 H new ATOM 0 HD21 LEU C 78 31.346 7.735 13.909 1.00 0.00 H new ATOM 0 HD22 LEU C 78 30.784 7.104 12.343 1.00 0.00 H new ATOM 0 HD23 LEU C 78 31.101 8.844 12.540 1.00 0.00 H new ATOM 1189 N VAL C 79 26.846 10.366 10.287 1.00 0.00 N ATOM 1190 CA VAL C 79 26.149 10.559 9.021 1.00 0.00 C ATOM 1191 C VAL C 79 26.753 11.712 8.227 1.00 0.00 C ATOM 1192 O VAL C 79 26.865 11.642 7.004 1.00 0.00 O ATOM 1193 CB VAL C 79 24.668 10.842 9.277 1.00 0.00 C ATOM 1194 CG1 VAL C 79 23.993 11.260 7.969 1.00 0.00 C ATOM 1195 CG2 VAL C 79 23.992 9.579 9.815 1.00 0.00 C ATOM 0 H VAL C 79 26.271 10.520 11.115 1.00 0.00 H new ATOM 0 HA VAL C 79 26.256 9.644 8.438 1.00 0.00 H new ATOM 0 HB VAL C 79 24.575 11.645 10.008 1.00 0.00 H new ATOM 0 HG11 VAL C 79 22.938 11.461 8.152 1.00 0.00 H new ATOM 0 HG12 VAL C 79 24.473 12.160 7.583 1.00 0.00 H new ATOM 0 HG13 VAL C 79 24.087 10.457 7.238 1.00 0.00 H new ATOM 0 HG21 VAL C 79 22.936 9.781 9.997 1.00 0.00 H new ATOM 0 HG22 VAL C 79 24.087 8.776 9.084 1.00 0.00 H new ATOM 0 HG23 VAL C 79 24.470 9.279 10.747 1.00 0.00 H new ATOM 1205 N MET C 80 27.121 12.782 8.921 1.00 0.00 N ATOM 1206 CA MET C 80 27.682 13.946 8.250 1.00 0.00 C ATOM 1207 C MET C 80 29.029 13.597 7.650 1.00 0.00 C ATOM 1208 O MET C 80 29.398 14.096 6.587 1.00 0.00 O ATOM 1209 CB MET C 80 27.820 15.111 9.251 1.00 0.00 C ATOM 1210 CG MET C 80 29.279 15.280 9.717 1.00 0.00 C ATOM 1211 SD MET C 80 29.344 16.515 11.037 1.00 0.00 S ATOM 1212 CE MET C 80 30.370 17.709 10.143 1.00 0.00 C ATOM 0 H MET C 80 27.042 12.867 9.934 1.00 0.00 H new ATOM 0 HA MET C 80 27.014 14.255 7.446 1.00 0.00 H new ATOM 0 HB2 MET C 80 27.475 16.035 8.787 1.00 0.00 H new ATOM 0 HB3 MET C 80 27.179 14.930 10.114 1.00 0.00 H new ATOM 0 HG2 MET C 80 29.672 14.328 10.074 1.00 0.00 H new ATOM 0 HG3 MET C 80 29.906 15.590 8.881 1.00 0.00 H new ATOM 0 HE1 MET C 80 30.549 18.580 10.774 1.00 0.00 H new ATOM 0 HE2 MET C 80 31.323 17.247 9.883 1.00 0.00 H new ATOM 0 HE3 MET C 80 29.857 18.020 9.233 1.00 0.00 H new ATOM 1222 N MET C 81 29.767 12.750 8.348 1.00 0.00 N ATOM 1223 CA MET C 81 31.085 12.352 7.879 1.00 0.00 C ATOM 1224 C MET C 81 30.993 11.552 6.588 1.00 0.00 C ATOM 1225 O MET C 81 31.772 11.758 5.656 1.00 0.00 O ATOM 1226 CB MET C 81 31.792 11.518 8.947 1.00 0.00 C ATOM 1227 CG MET C 81 32.223 12.407 10.120 1.00 0.00 C ATOM 1228 SD MET C 81 33.316 11.467 11.222 1.00 0.00 S ATOM 1229 CE MET C 81 34.871 11.757 10.336 1.00 0.00 C ATOM 0 H MET C 81 29.481 12.328 9.232 1.00 0.00 H new ATOM 0 HA MET C 81 31.658 13.258 7.683 1.00 0.00 H new ATOM 0 HB2 MET C 81 31.126 10.732 9.303 1.00 0.00 H new ATOM 0 HB3 MET C 81 32.664 11.026 8.516 1.00 0.00 H new ATOM 0 HG2 MET C 81 32.738 13.293 9.749 1.00 0.00 H new ATOM 0 HG3 MET C 81 31.347 12.754 10.668 1.00 0.00 H new ATOM 0 HE1 MET C 81 35.502 10.871 10.409 1.00 0.00 H new ATOM 0 HE2 MET C 81 34.659 11.966 9.287 1.00 0.00 H new ATOM 0 HE3 MET C 81 35.388 12.609 10.778 1.00 0.00 H new ATOM 1239 N VAL C 82 30.036 10.643 6.539 1.00 0.00 N ATOM 1240 CA VAL C 82 29.844 9.820 5.360 1.00 0.00 C ATOM 1241 C VAL C 82 29.411 10.689 4.188 1.00 0.00 C ATOM 1242 O VAL C 82 29.864 10.499 3.063 1.00 0.00 O ATOM 1243 CB VAL C 82 28.793 8.747 5.632 1.00 0.00 C ATOM 1244 CG1 VAL C 82 28.482 8.003 4.333 1.00 0.00 C ATOM 1245 CG2 VAL C 82 29.320 7.756 6.676 1.00 0.00 C ATOM 0 H VAL C 82 29.382 10.457 7.299 1.00 0.00 H new ATOM 0 HA VAL C 82 30.787 9.332 5.112 1.00 0.00 H new ATOM 0 HB VAL C 82 27.886 9.218 6.011 1.00 0.00 H new ATOM 0 HG11 VAL C 82 27.732 7.236 4.524 1.00 0.00 H new ATOM 0 HG12 VAL C 82 28.101 8.707 3.593 1.00 0.00 H new ATOM 0 HG13 VAL C 82 29.391 7.535 3.955 1.00 0.00 H new ATOM 0 HG21 VAL C 82 28.566 6.992 6.866 1.00 0.00 H new ATOM 0 HG22 VAL C 82 30.229 7.283 6.303 1.00 0.00 H new ATOM 0 HG23 VAL C 82 29.541 8.286 7.602 1.00 0.00 H new ATOM 1255 N ARG C 83 28.528 11.646 4.460 1.00 0.00 N ATOM 1256 CA ARG C 83 28.049 12.539 3.416 1.00 0.00 C ATOM 1257 C ARG C 83 29.215 13.242 2.734 1.00 0.00 C ATOM 1258 O ARG C 83 29.294 13.284 1.512 1.00 0.00 O ATOM 1259 CB ARG C 83 27.112 13.589 4.011 1.00 0.00 C ATOM 1260 CG ARG C 83 25.661 13.256 3.655 1.00 0.00 C ATOM 1261 CD ARG C 83 24.726 14.246 4.353 1.00 0.00 C ATOM 1262 NE ARG C 83 25.162 15.615 4.099 1.00 0.00 N ATOM 1263 CZ ARG C 83 24.868 16.230 2.958 1.00 0.00 C ATOM 1264 NH1 ARG C 83 24.187 15.606 2.036 1.00 0.00 N ATOM 1265 NH2 ARG C 83 25.262 17.458 2.759 1.00 0.00 N1+ ATOM 0 H ARG C 83 28.135 11.820 5.385 1.00 0.00 H new ATOM 0 HA ARG C 83 27.511 11.941 2.680 1.00 0.00 H new ATOM 0 HB2 ARG C 83 27.231 13.623 5.094 1.00 0.00 H new ATOM 0 HB3 ARG C 83 27.371 14.577 3.631 1.00 0.00 H new ATOM 0 HG2 ARG C 83 25.520 13.305 2.575 1.00 0.00 H new ATOM 0 HG3 ARG C 83 25.424 12.237 3.962 1.00 0.00 H new ATOM 0 HD2 ARG C 83 23.706 14.109 3.994 1.00 0.00 H new ATOM 0 HD3 ARG C 83 24.715 14.053 5.426 1.00 0.00 H new ATOM 0 HE ARG C 83 25.702 16.109 4.810 1.00 0.00 H new ATOM 0 HH11 ARG C 83 23.880 14.646 2.191 1.00 0.00 H new ATOM 0 HH12 ARG C 83 23.962 16.079 1.161 1.00 0.00 H new ATOM 0 HH21 ARG C 83 25.795 17.945 3.479 1.00 0.00 H new ATOM 0 HH22 ARG C 83 25.037 17.930 1.884 1.00 0.00 H new ATOM 1279 N CYS C 84 30.127 13.782 3.527 1.00 0.00 N ATOM 1280 CA CYS C 84 31.278 14.476 2.971 1.00 0.00 C ATOM 1281 C CYS C 84 32.118 13.515 2.130 1.00 0.00 C ATOM 1282 O CYS C 84 32.626 13.883 1.070 1.00 0.00 O ATOM 1283 CB CYS C 84 32.122 15.069 4.099 1.00 0.00 C ATOM 1284 SG CYS C 84 31.217 16.440 4.860 1.00 0.00 S ATOM 0 H CYS C 84 30.094 13.754 4.546 1.00 0.00 H new ATOM 0 HA CYS C 84 30.928 15.285 2.329 1.00 0.00 H new ATOM 0 HB2 CYS C 84 32.343 14.305 4.844 1.00 0.00 H new ATOM 0 HB3 CYS C 84 33.077 15.420 3.709 1.00 0.00 H new ATOM 0 HG CYS C 84 30.324 15.969 5.679 1.00 0.00 H new ATOM 1290 N MET C 85 32.260 12.285 2.615 1.00 0.00 N ATOM 1291 CA MET C 85 33.038 11.267 1.907 1.00 0.00 C ATOM 1292 C MET C 85 32.320 10.762 0.651 1.00 0.00 C ATOM 1293 O MET C 85 32.946 10.554 -0.388 1.00 0.00 O ATOM 1294 CB MET C 85 33.310 10.090 2.842 1.00 0.00 C ATOM 1295 CG MET C 85 34.614 10.340 3.596 1.00 0.00 C ATOM 1296 SD MET C 85 36.009 10.155 2.455 1.00 0.00 S ATOM 1297 CE MET C 85 37.323 10.538 3.636 1.00 0.00 C ATOM 0 H MET C 85 31.849 11.967 3.493 1.00 0.00 H new ATOM 0 HA MET C 85 33.974 11.728 1.593 1.00 0.00 H new ATOM 0 HB2 MET C 85 32.486 9.971 3.546 1.00 0.00 H new ATOM 0 HB3 MET C 85 33.378 9.164 2.271 1.00 0.00 H new ATOM 0 HG2 MET C 85 34.612 11.341 4.027 1.00 0.00 H new ATOM 0 HG3 MET C 85 34.710 9.637 4.423 1.00 0.00 H new ATOM 0 HE1 MET C 85 38.290 10.482 3.136 1.00 0.00 H new ATOM 0 HE2 MET C 85 37.176 11.544 4.030 1.00 0.00 H new ATOM 0 HE3 MET C 85 37.296 9.820 4.456 1.00 0.00 H new ATOM 1307 N LYS C 86 31.011 10.552 0.758 1.00 0.00 N ATOM 1308 CA LYS C 86 30.220 10.050 -0.369 1.00 0.00 C ATOM 1309 C LYS C 86 29.598 11.192 -1.164 1.00 0.00 C ATOM 1310 O LYS C 86 29.002 10.975 -2.218 1.00 0.00 O ATOM 1311 CB LYS C 86 29.117 9.123 0.150 1.00 0.00 C ATOM 1312 CG LYS C 86 29.729 7.774 0.526 1.00 0.00 C ATOM 1313 CD LYS C 86 29.715 6.847 -0.696 1.00 0.00 C ATOM 1314 CE LYS C 86 30.613 5.635 -0.437 1.00 0.00 C ATOM 1315 NZ LYS C 86 30.176 4.948 0.809 1.00 0.00 N1+ ATOM 0 H LYS C 86 30.474 10.720 1.609 1.00 0.00 H new ATOM 0 HA LYS C 86 30.886 9.499 -1.033 1.00 0.00 H new ATOM 0 HB2 LYS C 86 28.629 9.569 1.017 1.00 0.00 H new ATOM 0 HB3 LYS C 86 28.350 8.988 -0.613 1.00 0.00 H new ATOM 0 HG2 LYS C 86 30.751 7.912 0.879 1.00 0.00 H new ATOM 0 HG3 LYS C 86 29.167 7.323 1.344 1.00 0.00 H new ATOM 0 HD2 LYS C 86 28.696 6.519 -0.903 1.00 0.00 H new ATOM 0 HD3 LYS C 86 30.062 7.387 -1.577 1.00 0.00 H new ATOM 0 HE2 LYS C 86 30.564 4.946 -1.280 1.00 0.00 H new ATOM 0 HE3 LYS C 86 31.652 5.952 -0.344 1.00 0.00 H new ATOM 0 HZ1 LYS C 86 30.564 3.983 0.828 1.00 0.00 H new ATOM 0 HZ2 LYS C 86 30.521 5.476 1.636 1.00 0.00 H new ATOM 0 HZ3 LYS C 86 29.137 4.904 0.835 1.00 0.00 H new ATOM 1508 N ALA I 152 40.749 19.123 5.458 1.00 0.00 N ATOM 1509 CA ALA I 152 41.063 19.743 6.738 1.00 0.00 C ATOM 1510 C ALA I 152 40.479 18.928 7.889 1.00 0.00 C ATOM 1511 O ALA I 152 41.100 18.793 8.943 1.00 0.00 O ATOM 1512 CB ALA I 152 40.507 21.165 6.787 1.00 0.00 C ATOM 0 HA ALA I 152 42.147 19.775 6.843 1.00 0.00 H new ATOM 0 HB1 ALA I 152 40.749 21.617 7.749 1.00 0.00 H new ATOM 0 HB2 ALA I 152 40.950 21.757 5.986 1.00 0.00 H new ATOM 0 HB3 ALA I 152 39.425 21.137 6.661 1.00 0.00 H new ATOM 1518 N MET I 153 39.277 18.390 7.686 1.00 0.00 N ATOM 1519 CA MET I 153 38.623 17.600 8.727 1.00 0.00 C ATOM 1520 C MET I 153 39.495 16.421 9.144 1.00 0.00 C ATOM 1521 O MET I 153 39.727 16.200 10.332 1.00 0.00 O ATOM 1522 CB MET I 153 37.279 17.077 8.212 1.00 0.00 C ATOM 1523 CG MET I 153 36.187 18.122 8.446 1.00 0.00 C ATOM 1524 SD MET I 153 36.600 19.649 7.569 1.00 0.00 S ATOM 1525 CE MET I 153 35.283 20.671 8.276 1.00 0.00 C ATOM 0 H MET I 153 38.743 18.485 6.822 1.00 0.00 H new ATOM 0 HA MET I 153 38.464 18.242 9.594 1.00 0.00 H new ATOM 0 HB2 MET I 153 37.352 16.847 7.149 1.00 0.00 H new ATOM 0 HB3 MET I 153 37.021 16.149 8.722 1.00 0.00 H new ATOM 0 HG2 MET I 153 35.226 17.741 8.099 1.00 0.00 H new ATOM 0 HG3 MET I 153 36.084 18.321 9.513 1.00 0.00 H new ATOM 0 HE1 MET I 153 35.346 21.679 7.867 1.00 0.00 H new ATOM 0 HE2 MET I 153 34.314 20.239 8.028 1.00 0.00 H new ATOM 0 HE3 MET I 153 35.395 20.711 9.359 1.00 0.00 H new ATOM 1535 N MET I 154 39.993 15.676 8.163 1.00 0.00 N ATOM 1536 CA MET I 154 40.852 14.536 8.454 1.00 0.00 C ATOM 1537 C MET I 154 42.141 14.985 9.126 1.00 0.00 C ATOM 1538 O MET I 154 42.630 14.333 10.043 1.00 0.00 O ATOM 1539 CB MET I 154 41.173 13.777 7.167 1.00 0.00 C ATOM 1540 CG MET I 154 39.962 12.940 6.755 1.00 0.00 C ATOM 1541 SD MET I 154 39.804 11.540 7.895 1.00 0.00 S ATOM 1542 CE MET I 154 38.246 10.882 7.258 1.00 0.00 C ATOM 0 H MET I 154 39.819 15.839 7.171 1.00 0.00 H new ATOM 0 HA MET I 154 40.320 13.874 9.137 1.00 0.00 H new ATOM 0 HB2 MET I 154 41.431 14.478 6.373 1.00 0.00 H new ATOM 0 HB3 MET I 154 42.039 13.133 7.318 1.00 0.00 H new ATOM 0 HG2 MET I 154 39.058 13.548 6.777 1.00 0.00 H new ATOM 0 HG3 MET I 154 40.081 12.582 5.732 1.00 0.00 H new ATOM 0 HE1 MET I 154 37.715 10.366 8.058 1.00 0.00 H new ATOM 0 HE2 MET I 154 37.631 11.701 6.883 1.00 0.00 H new ATOM 0 HE3 MET I 154 38.451 10.182 6.448 1.00 0.00 H new ATOM 1552 N GLN I 155 42.690 16.102 8.665 1.00 0.00 N ATOM 1553 CA GLN I 155 43.926 16.623 9.239 1.00 0.00 C ATOM 1554 C GLN I 155 43.720 17.032 10.696 1.00 0.00 C ATOM 1555 O GLN I 155 44.583 16.806 11.543 1.00 0.00 O ATOM 1556 CB GLN I 155 44.405 17.826 8.426 1.00 0.00 C ATOM 1557 CG GLN I 155 44.904 17.358 7.055 1.00 0.00 C ATOM 1558 CD GLN I 155 46.185 16.544 7.215 1.00 0.00 C ATOM 1559 OE1 GLN I 155 47.068 16.923 7.985 1.00 0.00 O ATOM 1560 NE2 GLN I 155 46.344 15.444 6.531 1.00 0.00 N ATOM 0 H GLN I 155 42.305 16.660 7.903 1.00 0.00 H new ATOM 0 HA GLN I 155 44.680 15.837 9.207 1.00 0.00 H new ATOM 0 HB2 GLN I 155 43.591 18.541 8.303 1.00 0.00 H new ATOM 0 HB3 GLN I 155 45.205 18.341 8.958 1.00 0.00 H new ATOM 0 HG2 GLN I 155 44.139 16.755 6.567 1.00 0.00 H new ATOM 0 HG3 GLN I 155 45.089 18.219 6.413 1.00 0.00 H new ATOM 0 HE21 GLN I 155 45.613 15.130 5.893 1.00 0.00 H new ATOM 0 HE22 GLN I 155 47.200 14.898 6.634 1.00 0.00 H new ATOM 1569 N ALA I 156 42.573 17.640 10.981 1.00 0.00 N ATOM 1570 CA ALA I 156 42.271 18.080 12.339 1.00 0.00 C ATOM 1571 C ALA I 156 42.233 16.894 13.297 1.00 0.00 C ATOM 1572 O ALA I 156 42.732 16.975 14.420 1.00 0.00 O ATOM 1573 CB ALA I 156 40.923 18.800 12.365 1.00 0.00 C ATOM 0 H ALA I 156 41.843 17.838 10.297 1.00 0.00 H new ATOM 0 HA ALA I 156 43.057 18.763 12.660 1.00 0.00 H new ATOM 0 HB1 ALA I 156 40.704 19.126 13.382 1.00 0.00 H new ATOM 0 HB2 ALA I 156 40.961 19.668 11.706 1.00 0.00 H new ATOM 0 HB3 ALA I 156 40.141 18.121 12.025 1.00 0.00 H new