USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 685 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 ASN : amide:sc= -0.244 X(o=-0.24,f=-0.63) USER MOD Set 1.2: A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot -11:sc= 0.321 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.686 K(o=0.69,f=-0.29) USER MOD Single : A 17 GLN : amide:sc= -0.843! X(o=-0.84!,f=-0.5) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot -10:sc= 0.58 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.0159 X(o=-0.016,f=0) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 THR OG1 : rot 74:sc= 1.22 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0929 USER MOD Single : A 69 SER OG : rot 180:sc= -0.0219 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot -158:sc= 0.343 USER MOD Single : A 79 CYS SG : rot -53:sc= 0.667 USER MOD Single : A 85 THR OG1 : rot 94:sc= 1.24 USER MOD Single : A 91 GLN : amide:sc= -0.0728 X(o=-0.073,f=0) USER MOD ----------------------------------------------------------------- ATOM 76 N GLU A 8 7.269 12.037 3.482 1.00 0.00 N ATOM 77 CA GLU A 8 6.110 12.600 2.785 1.00 0.00 C ATOM 78 C GLU A 8 5.030 11.530 2.586 1.00 0.00 C ATOM 79 O GLU A 8 4.103 11.700 1.801 1.00 0.00 O ATOM 80 CB GLU A 8 6.562 13.306 1.488 1.00 0.00 C ATOM 81 CG GLU A 8 5.706 14.527 1.126 1.00 0.00 C ATOM 82 CD GLU A 8 6.380 15.460 0.123 1.00 0.00 C ATOM 83 OE1 GLU A 8 7.583 15.765 0.291 1.00 0.00 O ATOM 84 OE2 GLU A 8 5.669 15.977 -0.772 1.00 0.00 O ATOM 0 HA GLU A 8 5.641 13.372 3.395 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.600 13.619 1.597 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.529 12.592 0.665 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.756 14.187 0.714 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.478 15.085 2.034 1.00 0.00 H new ATOM 91 N TYR A 9 5.133 10.430 3.333 1.00 0.00 N ATOM 92 CA TYR A 9 4.194 9.320 3.333 1.00 0.00 C ATOM 93 C TYR A 9 3.346 9.358 4.607 1.00 0.00 C ATOM 94 O TYR A 9 2.120 9.333 4.525 1.00 0.00 O ATOM 95 CB TYR A 9 4.954 7.989 3.208 1.00 0.00 C ATOM 96 CG TYR A 9 6.053 7.889 2.150 1.00 0.00 C ATOM 97 CD1 TYR A 9 6.034 8.664 0.966 1.00 0.00 C ATOM 98 CD2 TYR A 9 7.099 6.974 2.357 1.00 0.00 C ATOM 99 CE1 TYR A 9 7.049 8.516 -0.004 1.00 0.00 C ATOM 100 CE2 TYR A 9 8.116 6.828 1.408 1.00 0.00 C ATOM 101 CZ TYR A 9 8.108 7.603 0.228 1.00 0.00 C ATOM 102 OH TYR A 9 9.118 7.439 -0.673 1.00 0.00 O ATOM 0 H TYR A 9 5.908 10.287 3.980 1.00 0.00 H new ATOM 0 HA TYR A 9 3.526 9.408 2.477 1.00 0.00 H new ATOM 0 HB2 TYR A 9 5.401 7.767 4.177 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.224 7.205 3.007 1.00 0.00 H new ATOM 0 HD1 TYR A 9 5.237 9.374 0.803 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.118 6.378 3.257 1.00 0.00 H new ATOM 0 HE1 TYR A 9 7.019 9.094 -0.916 1.00 0.00 H new ATOM 0 HE2 TYR A 9 8.912 6.118 1.579 1.00 0.00 H new ATOM 0 HH TYR A 9 8.888 7.895 -1.509 1.00 0.00 H new ATOM 112 N GLY A 10 3.962 9.526 5.783 1.00 0.00 N ATOM 113 CA GLY A 10 3.309 9.555 7.095 1.00 0.00 C ATOM 114 C GLY A 10 2.475 10.819 7.331 1.00 0.00 C ATOM 115 O GLY A 10 2.063 11.099 8.457 1.00 0.00 O ATOM 0 H GLY A 10 4.972 9.651 5.848 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.666 8.681 7.192 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.069 9.479 7.873 1.00 0.00 H new ATOM 119 N ARG A 11 2.265 11.614 6.280 1.00 0.00 N ATOM 120 CA ARG A 11 1.290 12.686 6.193 1.00 0.00 C ATOM 121 C ARG A 11 -0.050 12.212 5.642 1.00 0.00 C ATOM 122 O ARG A 11 -1.008 12.978 5.697 1.00 0.00 O ATOM 123 CB ARG A 11 1.854 13.818 5.332 1.00 0.00 C ATOM 124 CG ARG A 11 2.427 13.370 3.991 1.00 0.00 C ATOM 125 CD ARG A 11 2.947 14.561 3.193 1.00 0.00 C ATOM 126 NE ARG A 11 1.940 15.602 2.916 1.00 0.00 N ATOM 127 CZ ARG A 11 2.219 16.781 2.349 1.00 0.00 C ATOM 128 NH1 ARG A 11 3.484 17.165 2.215 1.00 0.00 N ATOM 129 NH2 ARG A 11 1.232 17.538 1.886 1.00 0.00 N ATOM 0 H ARG A 11 2.806 11.515 5.421 1.00 0.00 H new ATOM 0 HA ARG A 11 1.101 13.048 7.204 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.064 14.546 5.150 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.636 14.329 5.894 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.235 12.658 4.157 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.658 12.852 3.418 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.776 15.012 3.738 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.347 14.200 2.246 1.00 0.00 H new ATOM 0 HE ARG A 11 0.971 15.411 3.172 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.238 16.562 2.544 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.701 18.063 1.783 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.266 17.220 1.963 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.440 18.438 1.453 1.00 0.00 H new ATOM 143 N TYR A 12 -0.108 11.023 5.039 1.00 0.00 N ATOM 144 CA TYR A 12 -1.295 10.457 4.430 1.00 0.00 C ATOM 145 C TYR A 12 -1.672 9.129 5.036 1.00 0.00 C ATOM 146 O TYR A 12 -2.858 8.834 5.132 1.00 0.00 O ATOM 147 CB TYR A 12 -1.033 10.212 2.943 1.00 0.00 C ATOM 148 CG TYR A 12 -0.395 11.340 2.193 1.00 0.00 C ATOM 149 CD1 TYR A 12 -0.729 12.689 2.416 1.00 0.00 C ATOM 150 CD2 TYR A 12 0.603 10.997 1.280 1.00 0.00 C ATOM 151 CE1 TYR A 12 -0.148 13.681 1.597 1.00 0.00 C ATOM 152 CE2 TYR A 12 1.179 11.971 0.464 1.00 0.00 C ATOM 153 CZ TYR A 12 0.814 13.331 0.614 1.00 0.00 C ATOM 154 OH TYR A 12 1.391 14.291 -0.164 1.00 0.00 O ATOM 0 H TYR A 12 0.705 10.412 4.963 1.00 0.00 H new ATOM 0 HA TYR A 12 -2.105 11.168 4.594 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.396 9.332 2.847 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.982 9.973 2.462 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -1.419 12.961 3.201 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.932 9.971 1.205 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -0.438 14.714 1.719 1.00 0.00 H new ATOM 0 HE2 TYR A 12 1.905 11.687 -0.284 1.00 0.00 H new ATOM 0 HH TYR A 12 2.027 13.873 -0.782 1.00 0.00 H new ATOM 164 N PHE A 13 -0.678 8.299 5.347 1.00 0.00 N ATOM 165 CA PHE A 13 -0.907 7.020 6.005 1.00 0.00 C ATOM 166 C PHE A 13 -0.773 7.226 7.505 1.00 0.00 C ATOM 167 O PHE A 13 -0.044 8.105 7.968 1.00 0.00 O ATOM 168 CB PHE A 13 0.099 5.977 5.501 1.00 0.00 C ATOM 169 CG PHE A 13 0.154 5.837 3.996 1.00 0.00 C ATOM 170 CD1 PHE A 13 -0.773 5.050 3.285 1.00 0.00 C ATOM 171 CD2 PHE A 13 1.146 6.533 3.289 1.00 0.00 C ATOM 172 CE1 PHE A 13 -0.711 4.970 1.883 1.00 0.00 C ATOM 173 CE2 PHE A 13 1.171 6.512 1.891 1.00 0.00 C ATOM 174 CZ PHE A 13 0.252 5.723 1.195 1.00 0.00 C ATOM 0 H PHE A 13 0.303 8.495 5.150 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.906 6.650 5.776 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.092 6.242 5.865 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.152 5.009 5.935 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.536 4.505 3.820 1.00 0.00 H new ATOM 0 HD2 PHE A 13 1.897 7.090 3.829 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.397 4.336 1.341 1.00 0.00 H new ATOM 0 HE2 PHE A 13 1.897 7.103 1.352 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.283 5.692 0.116 1.00 0.00 H new ATOM 184 N GLU A 14 -1.440 6.362 8.249 1.00 0.00 N ATOM 185 CA GLU A 14 -1.576 6.372 9.689 1.00 0.00 C ATOM 186 C GLU A 14 -1.565 4.904 10.091 1.00 0.00 C ATOM 187 O GLU A 14 -1.895 4.028 9.290 1.00 0.00 O ATOM 188 CB GLU A 14 -2.897 7.084 10.012 1.00 0.00 C ATOM 189 CG GLU A 14 -3.139 7.600 11.425 1.00 0.00 C ATOM 190 CD GLU A 14 -3.186 6.507 12.471 1.00 0.00 C ATOM 191 OE1 GLU A 14 -4.097 5.652 12.429 1.00 0.00 O ATOM 192 OE2 GLU A 14 -2.236 6.454 13.280 1.00 0.00 O ATOM 0 H GLU A 14 -1.937 5.577 7.827 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.789 6.898 10.229 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.986 7.932 9.333 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.708 6.396 9.771 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.350 8.306 11.685 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.079 8.151 11.445 1.00 0.00 H new ATOM 199 N GLN A 15 -1.184 4.650 11.328 1.00 0.00 N ATOM 200 CA GLN A 15 -0.912 3.332 11.895 1.00 0.00 C ATOM 201 C GLN A 15 -2.098 2.367 11.804 1.00 0.00 C ATOM 202 O GLN A 15 -1.892 1.162 11.856 1.00 0.00 O ATOM 203 CB GLN A 15 -0.484 3.537 13.355 1.00 0.00 C ATOM 204 CG GLN A 15 0.229 2.295 13.897 1.00 0.00 C ATOM 205 CD GLN A 15 0.335 2.245 15.413 1.00 0.00 C ATOM 206 OE1 GLN A 15 0.235 3.253 16.109 1.00 0.00 O ATOM 207 NE2 GLN A 15 0.515 1.051 15.952 1.00 0.00 N ATOM 0 H GLN A 15 -1.046 5.398 12.008 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.121 2.861 11.311 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.177 4.400 13.426 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -1.359 3.755 13.967 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -0.301 1.407 13.552 1.00 0.00 H new ATOM 0 HG3 GLN A 15 1.232 2.252 13.473 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.595 0.228 15.354 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.574 0.953 16.966 1.00 0.00 H new ATOM 216 N LEU A 16 -3.321 2.861 11.663 1.00 0.00 N ATOM 217 CA LEU A 16 -4.530 2.041 11.595 1.00 0.00 C ATOM 218 C LEU A 16 -5.325 2.337 10.315 1.00 0.00 C ATOM 219 O LEU A 16 -6.456 1.872 10.164 1.00 0.00 O ATOM 220 CB LEU A 16 -5.405 2.266 12.846 1.00 0.00 C ATOM 221 CG LEU A 16 -4.698 2.246 14.216 1.00 0.00 C ATOM 222 CD1 LEU A 16 -5.711 2.607 15.306 1.00 0.00 C ATOM 223 CD2 LEU A 16 -4.079 0.893 14.568 1.00 0.00 C ATOM 0 H LEU A 16 -3.507 3.861 11.591 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.229 0.994 11.567 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.906 3.228 12.739 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.182 1.502 12.856 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.885 2.969 14.155 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.219 2.595 16.278 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.112 3.602 15.115 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.524 1.881 15.302 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.600 0.955 15.545 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.859 0.132 14.594 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.337 0.626 13.816 1.00 0.00 H new ATOM 235 N GLN A 17 -4.797 3.153 9.394 1.00 0.00 N ATOM 236 CA GLN A 17 -5.488 3.461 8.146 1.00 0.00 C ATOM 237 C GLN A 17 -5.476 2.257 7.206 1.00 0.00 C ATOM 238 O GLN A 17 -4.752 1.288 7.407 1.00 0.00 O ATOM 239 CB GLN A 17 -4.872 4.700 7.474 1.00 0.00 C ATOM 240 CG GLN A 17 -5.842 5.884 7.590 1.00 0.00 C ATOM 241 CD GLN A 17 -5.226 7.162 7.043 1.00 0.00 C ATOM 242 OE1 GLN A 17 -4.937 8.100 7.775 1.00 0.00 O ATOM 243 NE2 GLN A 17 -4.983 7.217 5.748 1.00 0.00 N ATOM 0 H GLN A 17 -3.891 3.610 9.495 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.528 3.690 8.378 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -3.922 4.948 7.947 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.662 4.491 6.425 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.760 5.659 7.046 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -6.118 6.029 8.634 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.229 6.429 5.149 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.549 8.048 5.345 1.00 0.00 H new ATOM 252 N LYS A 18 -6.265 2.337 6.136 1.00 0.00 N ATOM 253 CA LYS A 18 -6.293 1.321 5.091 1.00 0.00 C ATOM 254 C LYS A 18 -5.453 1.787 3.906 1.00 0.00 C ATOM 255 O LYS A 18 -5.317 2.990 3.678 1.00 0.00 O ATOM 256 CB LYS A 18 -7.743 1.014 4.680 1.00 0.00 C ATOM 257 CG LYS A 18 -8.466 0.082 5.670 1.00 0.00 C ATOM 258 CD LYS A 18 -9.074 0.747 6.919 1.00 0.00 C ATOM 259 CE LYS A 18 -10.301 1.583 6.539 1.00 0.00 C ATOM 260 NZ LYS A 18 -10.841 2.355 7.676 1.00 0.00 N ATOM 0 H LYS A 18 -6.905 3.114 5.971 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.862 0.394 5.469 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -8.297 1.949 4.599 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -7.745 0.556 3.691 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.264 -0.432 5.134 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.760 -0.681 5.999 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.357 -0.017 7.643 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.329 1.381 7.399 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.033 2.268 5.735 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.078 0.924 6.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.669 2.901 7.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.124 1.703 8.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.111 3.005 8.032 1.00 0.00 H new ATOM 274 N VAL A 19 -4.921 0.837 3.139 1.00 0.00 N ATOM 275 CA VAL A 19 -4.192 1.040 1.883 1.00 0.00 C ATOM 276 C VAL A 19 -4.720 -0.018 0.912 1.00 0.00 C ATOM 277 O VAL A 19 -5.134 -1.109 1.318 1.00 0.00 O ATOM 278 CB VAL A 19 -2.670 0.964 2.087 1.00 0.00 C ATOM 279 CG1 VAL A 19 -2.247 1.976 3.151 1.00 0.00 C ATOM 280 CG2 VAL A 19 -2.136 -0.422 2.468 1.00 0.00 C ATOM 0 H VAL A 19 -4.989 -0.150 3.389 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.360 2.039 1.480 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.233 1.194 1.115 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.168 1.922 3.296 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.520 2.980 2.827 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.751 1.748 4.090 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.054 -0.374 2.590 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.593 -0.743 3.404 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.381 -1.135 1.681 1.00 0.00 H new ATOM 290 N ASN A 20 -4.734 0.322 -0.373 1.00 0.00 N ATOM 291 CA ASN A 20 -5.057 -0.601 -1.450 1.00 0.00 C ATOM 292 C ASN A 20 -3.895 -1.579 -1.716 1.00 0.00 C ATOM 293 O ASN A 20 -2.763 -1.301 -1.302 1.00 0.00 O ATOM 294 CB ASN A 20 -5.383 0.244 -2.678 1.00 0.00 C ATOM 295 CG ASN A 20 -5.948 -0.621 -3.766 1.00 0.00 C ATOM 296 OD1 ASN A 20 -5.376 -0.711 -4.841 1.00 0.00 O ATOM 297 ND2 ASN A 20 -7.051 -1.290 -3.513 1.00 0.00 N ATOM 0 H ASN A 20 -4.517 1.264 -0.698 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.912 -1.223 -1.184 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.099 1.022 -2.413 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.483 0.746 -3.033 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.450 -1.903 -4.224 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -7.508 -1.196 -2.606 1.00 0.00 H new ATOM 304 N LEU A 21 -4.146 -2.709 -2.396 1.00 0.00 N ATOM 305 CA LEU A 21 -3.248 -3.870 -2.416 1.00 0.00 C ATOM 306 C LEU A 21 -3.026 -4.415 -3.831 1.00 0.00 C ATOM 307 O LEU A 21 -3.030 -5.630 -4.018 1.00 0.00 O ATOM 308 CB LEU A 21 -3.775 -5.011 -1.520 1.00 0.00 C ATOM 309 CG LEU A 21 -4.023 -4.722 -0.037 1.00 0.00 C ATOM 310 CD1 LEU A 21 -4.455 -6.051 0.579 1.00 0.00 C ATOM 311 CD2 LEU A 21 -2.797 -4.204 0.714 1.00 0.00 C ATOM 0 H LEU A 21 -4.990 -2.842 -2.954 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.295 -3.512 -2.028 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.712 -5.364 -1.950 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.065 -5.836 -1.583 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.770 -3.932 0.044 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.649 -5.913 1.643 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.362 -6.402 0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.663 -6.788 0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.058 -4.025 1.757 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.999 -4.944 0.662 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.458 -3.273 0.259 1.00 0.00 H new ATOM 323 N THR A 22 -2.848 -3.560 -4.834 1.00 0.00 N ATOM 324 CA THR A 22 -2.655 -4.023 -6.203 1.00 0.00 C ATOM 325 C THR A 22 -1.317 -4.772 -6.312 1.00 0.00 C ATOM 326 O THR A 22 -0.264 -4.142 -6.373 1.00 0.00 O ATOM 327 CB THR A 22 -2.740 -2.829 -7.160 1.00 0.00 C ATOM 328 OG1 THR A 22 -3.866 -2.029 -6.844 1.00 0.00 O ATOM 329 CG2 THR A 22 -2.836 -3.280 -8.617 1.00 0.00 C ATOM 0 H THR A 22 -2.834 -2.546 -4.724 1.00 0.00 H new ATOM 0 HA THR A 22 -3.441 -4.725 -6.483 1.00 0.00 H new ATOM 0 HB THR A 22 -1.826 -2.248 -7.039 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.910 -1.268 -7.460 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.895 -2.406 -9.265 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.954 -3.865 -8.876 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.729 -3.891 -8.751 1.00 0.00 H new ATOM 337 N VAL A 23 -1.326 -6.104 -6.310 1.00 0.00 N ATOM 338 CA VAL A 23 -0.137 -6.934 -6.489 1.00 0.00 C ATOM 339 C VAL A 23 -0.029 -7.298 -7.968 1.00 0.00 C ATOM 340 O VAL A 23 -0.852 -8.075 -8.427 1.00 0.00 O ATOM 341 CB VAL A 23 -0.227 -8.208 -5.613 1.00 0.00 C ATOM 342 CG1 VAL A 23 1.055 -9.048 -5.706 1.00 0.00 C ATOM 343 CG2 VAL A 23 -0.487 -7.891 -4.135 1.00 0.00 C ATOM 0 H VAL A 23 -2.179 -6.648 -6.181 1.00 0.00 H new ATOM 0 HA VAL A 23 0.753 -6.387 -6.178 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.073 -8.772 -6.007 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.956 -9.934 -5.079 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.217 -9.352 -6.740 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.904 -8.455 -5.365 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.541 -8.820 -3.568 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.324 -7.275 -3.747 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.430 -7.352 -4.039 1.00 0.00 H new ATOM 353 N ARG A 24 0.980 -6.827 -8.713 1.00 0.00 N ATOM 354 CA ARG A 24 1.308 -7.349 -10.044 1.00 0.00 C ATOM 355 C ARG A 24 1.591 -8.853 -9.944 1.00 0.00 C ATOM 356 O ARG A 24 2.661 -9.238 -9.453 1.00 0.00 O ATOM 357 CB ARG A 24 2.490 -6.536 -10.619 1.00 0.00 C ATOM 358 CG ARG A 24 3.122 -7.136 -11.882 1.00 0.00 C ATOM 359 CD ARG A 24 4.436 -6.419 -12.246 1.00 0.00 C ATOM 360 NE ARG A 24 5.182 -7.111 -13.317 1.00 0.00 N ATOM 361 CZ ARG A 24 6.434 -7.591 -13.267 1.00 0.00 C ATOM 362 NH1 ARG A 24 7.275 -7.244 -12.296 1.00 0.00 N ATOM 363 NH2 ARG A 24 6.837 -8.429 -14.219 1.00 0.00 N ATOM 0 H ARG A 24 1.593 -6.071 -8.408 1.00 0.00 H new ATOM 0 HA ARG A 24 0.473 -7.235 -10.735 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.144 -5.527 -10.845 1.00 0.00 H new ATOM 0 HB3 ARG A 24 3.259 -6.445 -9.852 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.316 -8.197 -11.725 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.421 -7.059 -12.713 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.214 -5.400 -12.563 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.065 -6.347 -11.358 1.00 0.00 H new ATOM 0 HE ARG A 24 4.686 -7.239 -14.199 1.00 0.00 H new ATOM 0 HH11 ARG A 24 6.973 -6.599 -11.566 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.222 -7.624 -12.281 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.198 -8.695 -14.968 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.785 -8.805 -14.199 1.00 0.00 H new ATOM 377 N LEU A 25 0.672 -9.681 -10.432 1.00 0.00 N ATOM 378 CA LEU A 25 0.814 -11.109 -10.600 1.00 0.00 C ATOM 379 C LEU A 25 1.398 -11.359 -11.982 1.00 0.00 C ATOM 380 O LEU A 25 0.774 -12.003 -12.829 1.00 0.00 O ATOM 381 CB LEU A 25 -0.560 -11.789 -10.485 1.00 0.00 C ATOM 382 CG LEU A 25 -1.112 -12.015 -9.075 1.00 0.00 C ATOM 383 CD1 LEU A 25 -0.698 -11.210 -7.840 1.00 0.00 C ATOM 384 CD2 LEU A 25 -2.570 -12.489 -9.083 1.00 0.00 C ATOM 0 H LEU A 25 -0.242 -9.346 -10.736 1.00 0.00 H new ATOM 0 HA LEU A 25 1.467 -11.519 -9.829 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.282 -11.188 -11.038 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.501 -12.756 -10.984 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.413 -12.810 -8.814 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.241 -11.575 -6.969 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.373 -11.324 -7.674 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.931 -10.157 -7.997 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.911 -12.634 -8.058 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.194 -11.740 -9.571 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.643 -13.431 -9.626 1.00 0.00 H new ATOM 436 N SER A 30 -3.112 -9.588 -11.729 1.00 0.00 N ATOM 437 CA SER A 30 -2.830 -9.094 -10.401 1.00 0.00 C ATOM 438 C SER A 30 -3.950 -9.517 -9.459 1.00 0.00 C ATOM 439 O SER A 30 -4.937 -10.141 -9.864 1.00 0.00 O ATOM 440 CB SER A 30 -2.735 -7.541 -10.467 1.00 0.00 C ATOM 441 OG SER A 30 -3.348 -6.953 -11.610 1.00 0.00 O ATOM 0 HA SER A 30 -1.890 -9.502 -10.030 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.195 -7.125 -9.571 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.684 -7.254 -10.448 1.00 0.00 H new ATOM 0 HG SER A 30 -3.592 -7.656 -12.248 1.00 0.00 H new ATOM 447 N PHE A 31 -3.727 -9.262 -8.180 1.00 0.00 N ATOM 448 CA PHE A 31 -4.750 -9.271 -7.163 1.00 0.00 C ATOM 449 C PHE A 31 -4.949 -7.827 -6.723 1.00 0.00 C ATOM 450 O PHE A 31 -3.969 -7.084 -6.642 1.00 0.00 O ATOM 451 CB PHE A 31 -4.265 -10.118 -5.982 1.00 0.00 C ATOM 452 CG PHE A 31 -5.190 -10.051 -4.786 1.00 0.00 C ATOM 453 CD1 PHE A 31 -6.437 -10.704 -4.825 1.00 0.00 C ATOM 454 CD2 PHE A 31 -4.836 -9.287 -3.656 1.00 0.00 C ATOM 455 CE1 PHE A 31 -7.321 -10.601 -3.739 1.00 0.00 C ATOM 456 CE2 PHE A 31 -5.718 -9.187 -2.566 1.00 0.00 C ATOM 457 CZ PHE A 31 -6.957 -9.850 -2.609 1.00 0.00 C ATOM 0 H PHE A 31 -2.801 -9.037 -7.817 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.685 -9.691 -7.534 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.168 -11.156 -6.302 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.271 -9.782 -5.685 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -6.714 -11.285 -5.692 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.884 -8.777 -3.627 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -8.279 -11.098 -3.772 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -5.445 -8.603 -1.699 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.632 -9.782 -1.769 1.00 0.00 H new ATOM 467 N ASP A 32 -6.168 -7.463 -6.327 1.00 0.00 N ATOM 468 CA ASP A 32 -6.458 -6.218 -5.629 1.00 0.00 C ATOM 469 C ASP A 32 -7.349 -6.481 -4.419 1.00 0.00 C ATOM 470 O ASP A 32 -8.263 -7.311 -4.473 1.00 0.00 O ATOM 471 CB ASP A 32 -7.102 -5.197 -6.567 1.00 0.00 C ATOM 472 CG ASP A 32 -7.382 -3.904 -5.821 1.00 0.00 C ATOM 473 OD1 ASP A 32 -6.497 -3.460 -5.061 1.00 0.00 O ATOM 474 OD2 ASP A 32 -8.477 -3.313 -5.984 1.00 0.00 O ATOM 0 H ASP A 32 -6.995 -8.038 -6.487 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.515 -5.798 -5.279 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.442 -5.002 -7.413 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.030 -5.600 -6.973 1.00 0.00 H new ATOM 479 N GLY A 33 -7.079 -5.766 -3.328 1.00 0.00 N ATOM 480 CA GLY A 33 -7.715 -5.931 -2.028 1.00 0.00 C ATOM 481 C GLY A 33 -7.454 -4.717 -1.141 1.00 0.00 C ATOM 482 O GLY A 33 -6.967 -3.682 -1.605 1.00 0.00 O ATOM 0 H GLY A 33 -6.379 -5.024 -3.329 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.788 -6.069 -2.158 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -7.335 -6.830 -1.543 1.00 0.00 H new ATOM 486 N THR A 34 -7.775 -4.843 0.145 1.00 0.00 N ATOM 487 CA THR A 34 -7.528 -3.831 1.160 1.00 0.00 C ATOM 488 C THR A 34 -6.815 -4.523 2.326 1.00 0.00 C ATOM 489 O THR A 34 -7.079 -5.697 2.596 1.00 0.00 O ATOM 490 CB THR A 34 -8.872 -3.222 1.611 1.00 0.00 C ATOM 491 OG1 THR A 34 -9.730 -2.956 0.515 1.00 0.00 O ATOM 492 CG2 THR A 34 -8.688 -1.915 2.377 1.00 0.00 C ATOM 0 H THR A 34 -8.227 -5.678 0.517 1.00 0.00 H new ATOM 0 HA THR A 34 -6.908 -3.020 0.777 1.00 0.00 H new ATOM 0 HB THR A 34 -9.318 -3.973 2.263 1.00 0.00 H new ATOM 0 HG1 THR A 34 -10.570 -2.573 0.843 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.662 -1.526 2.673 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.085 -2.096 3.266 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.185 -1.188 1.740 1.00 0.00 H new ATOM 500 N ALA A 35 -5.952 -3.807 3.045 1.00 0.00 N ATOM 501 CA ALA A 35 -5.511 -4.217 4.370 1.00 0.00 C ATOM 502 C ALA A 35 -5.579 -3.030 5.307 1.00 0.00 C ATOM 503 O ALA A 35 -5.601 -1.886 4.836 1.00 0.00 O ATOM 504 CB ALA A 35 -4.080 -4.761 4.335 1.00 0.00 C ATOM 0 H ALA A 35 -5.542 -2.930 2.724 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.168 -5.013 4.722 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.779 -5.059 5.339 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.035 -5.625 3.672 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.405 -3.987 3.969 1.00 0.00 H new ATOM 510 N ALA A 36 -5.569 -3.302 6.613 1.00 0.00 N ATOM 511 CA ALA A 36 -5.339 -2.262 7.597 1.00 0.00 C ATOM 512 C ALA A 36 -3.841 -2.219 7.859 1.00 0.00 C ATOM 513 O ALA A 36 -3.192 -3.268 7.846 1.00 0.00 O ATOM 514 CB ALA A 36 -6.090 -2.596 8.880 1.00 0.00 C ATOM 0 H ALA A 36 -5.718 -4.232 7.005 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.694 -1.295 7.240 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.916 -1.813 9.618 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.157 -2.665 8.669 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.735 -3.549 9.272 1.00 0.00 H new ATOM 520 N ILE A 37 -3.311 -1.020 8.094 1.00 0.00 N ATOM 521 CA ILE A 37 -2.011 -0.797 8.700 1.00 0.00 C ATOM 522 C ILE A 37 -2.105 -1.280 10.152 1.00 0.00 C ATOM 523 O ILE A 37 -3.187 -1.315 10.749 1.00 0.00 O ATOM 524 CB ILE A 37 -1.593 0.689 8.513 1.00 0.00 C ATOM 525 CG1 ILE A 37 -1.496 1.016 6.997 1.00 0.00 C ATOM 526 CG2 ILE A 37 -0.227 1.025 9.146 1.00 0.00 C ATOM 527 CD1 ILE A 37 -1.285 2.496 6.653 1.00 0.00 C ATOM 0 H ILE A 37 -3.794 -0.153 7.858 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.211 -1.363 8.224 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.358 1.283 9.014 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.674 0.441 6.571 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.410 0.674 6.510 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.003 2.077 8.978 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.264 0.828 10.217 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.547 0.408 8.690 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.231 2.614 5.571 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.118 3.082 7.041 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.355 2.845 7.103 1.00 0.00 H new ATOM 539 N THR A 38 -0.958 -1.672 10.696 1.00 0.00 N ATOM 540 CA THR A 38 -0.807 -2.143 12.062 1.00 0.00 C ATOM 541 C THR A 38 0.356 -1.428 12.746 1.00 0.00 C ATOM 542 O THR A 38 0.250 -1.016 13.909 1.00 0.00 O ATOM 543 CB THR A 38 -0.643 -3.678 12.075 1.00 0.00 C ATOM 544 OG1 THR A 38 0.545 -4.096 11.415 1.00 0.00 O ATOM 545 CG2 THR A 38 -1.797 -4.395 11.382 1.00 0.00 C ATOM 0 H THR A 38 -0.080 -1.669 10.178 1.00 0.00 H new ATOM 0 HA THR A 38 -1.706 -1.906 12.631 1.00 0.00 H new ATOM 0 HB THR A 38 -0.612 -3.941 13.132 1.00 0.00 H new ATOM 0 HG1 THR A 38 0.611 -5.073 11.448 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.632 -5.472 11.420 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.732 -4.154 11.888 1.00 0.00 H new ATOM 0 HG23 THR A 38 -1.854 -4.073 10.342 1.00 0.00 H new ATOM 553 N SER A 39 1.440 -1.233 11.994 1.00 0.00 N ATOM 554 CA SER A 39 2.608 -0.451 12.340 1.00 0.00 C ATOM 555 C SER A 39 3.055 0.291 11.089 1.00 0.00 C ATOM 556 O SER A 39 2.800 -0.142 9.963 1.00 0.00 O ATOM 557 CB SER A 39 3.719 -1.366 12.857 1.00 0.00 C ATOM 558 OG SER A 39 3.266 -2.012 14.023 1.00 0.00 O ATOM 0 H SER A 39 1.522 -1.649 11.066 1.00 0.00 H new ATOM 0 HA SER A 39 2.375 0.261 13.131 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.987 -2.101 12.098 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.617 -0.786 13.071 1.00 0.00 H new ATOM 0 HG SER A 39 3.969 -2.603 14.364 1.00 0.00 H new ATOM 564 N LEU A 40 3.733 1.410 11.297 1.00 0.00 N ATOM 565 CA LEU A 40 4.219 2.304 10.261 1.00 0.00 C ATOM 566 C LEU A 40 5.518 2.913 10.786 1.00 0.00 C ATOM 567 O LEU A 40 5.572 3.294 11.959 1.00 0.00 O ATOM 568 CB LEU A 40 3.140 3.370 10.038 1.00 0.00 C ATOM 569 CG LEU A 40 2.962 3.891 8.605 1.00 0.00 C ATOM 570 CD1 LEU A 40 1.860 4.950 8.650 1.00 0.00 C ATOM 571 CD2 LEU A 40 4.235 4.468 7.973 1.00 0.00 C ATOM 0 H LEU A 40 3.969 1.732 12.235 1.00 0.00 H new ATOM 0 HA LEU A 40 4.415 1.806 9.312 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.186 2.961 10.371 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.365 4.220 10.682 1.00 0.00 H new ATOM 0 HG LEU A 40 2.701 3.046 7.967 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.699 5.350 7.649 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.937 4.499 9.014 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.158 5.757 9.319 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.016 4.811 6.962 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.591 5.306 8.572 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.004 3.697 7.935 1.00 0.00 H new ATOM 583 N LYS A 41 6.564 2.972 9.969 1.00 0.00 N ATOM 584 CA LYS A 41 7.841 3.598 10.264 1.00 0.00 C ATOM 585 C LYS A 41 8.462 4.002 8.931 1.00 0.00 C ATOM 586 O LYS A 41 9.154 3.227 8.279 1.00 0.00 O ATOM 587 CB LYS A 41 8.722 2.625 11.062 1.00 0.00 C ATOM 588 CG LYS A 41 10.168 3.125 11.254 1.00 0.00 C ATOM 589 CD LYS A 41 11.165 2.087 10.734 1.00 0.00 C ATOM 590 CE LYS A 41 11.246 0.898 11.699 1.00 0.00 C ATOM 591 NZ LYS A 41 12.189 1.152 12.805 1.00 0.00 N ATOM 0 H LYS A 41 6.539 2.562 9.035 1.00 0.00 H new ATOM 0 HA LYS A 41 7.728 4.487 10.884 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.271 2.457 12.040 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.743 1.663 10.551 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.307 4.068 10.726 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.355 3.321 12.310 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.860 1.742 9.746 1.00 0.00 H new ATOM 0 HD3 LYS A 41 12.149 2.542 10.623 1.00 0.00 H new ATOM 0 HE2 LYS A 41 10.256 0.692 12.106 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.558 0.008 11.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 12.216 0.325 13.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.139 1.323 12.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 11.878 1.987 13.342 1.00 0.00 H new ATOM 605 N GLY A 42 8.251 5.250 8.540 1.00 0.00 N ATOM 606 CA GLY A 42 8.982 5.886 7.463 1.00 0.00 C ATOM 607 C GLY A 42 8.580 5.365 6.084 1.00 0.00 C ATOM 608 O GLY A 42 7.469 5.660 5.640 1.00 0.00 O ATOM 0 H GLY A 42 7.554 5.857 8.972 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.814 6.962 7.502 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.050 5.724 7.610 1.00 0.00 H new ATOM 612 N SER A 43 9.460 4.630 5.396 1.00 0.00 N ATOM 613 CA SER A 43 9.136 3.929 4.149 1.00 0.00 C ATOM 614 C SER A 43 8.879 2.452 4.420 1.00 0.00 C ATOM 615 O SER A 43 9.267 1.597 3.631 1.00 0.00 O ATOM 616 CB SER A 43 10.230 4.136 3.098 1.00 0.00 C ATOM 617 OG SER A 43 11.488 3.651 3.510 1.00 0.00 O ATOM 0 H SER A 43 10.428 4.504 5.693 1.00 0.00 H new ATOM 0 HA SER A 43 8.220 4.355 3.741 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.938 3.636 2.175 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.313 5.199 2.872 1.00 0.00 H new ATOM 0 HG SER A 43 12.147 3.807 2.802 1.00 0.00 H new ATOM 623 N LEU A 44 8.265 2.143 5.552 1.00 0.00 N ATOM 624 CA LEU A 44 7.919 0.793 5.957 1.00 0.00 C ATOM 625 C LEU A 44 6.585 0.902 6.664 1.00 0.00 C ATOM 626 O LEU A 44 6.423 1.750 7.532 1.00 0.00 O ATOM 627 CB LEU A 44 9.007 0.200 6.874 1.00 0.00 C ATOM 628 CG LEU A 44 9.116 -1.342 6.987 1.00 0.00 C ATOM 629 CD1 LEU A 44 8.986 -1.833 8.434 1.00 0.00 C ATOM 630 CD2 LEU A 44 8.256 -2.219 6.077 1.00 0.00 C ATOM 0 H LEU A 44 7.986 2.848 6.234 1.00 0.00 H new ATOM 0 HA LEU A 44 7.850 0.119 5.103 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.971 0.577 6.532 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.848 0.596 7.877 1.00 0.00 H new ATOM 0 HG LEU A 44 10.125 -1.484 6.600 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.069 -2.920 8.458 1.00 0.00 H new ATOM 0 HD12 LEU A 44 9.779 -1.395 9.040 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.017 -1.534 8.834 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.457 -3.269 6.288 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.202 -2.008 6.258 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.495 -2.006 5.035 1.00 0.00 H new ATOM 642 N ALA A 45 5.633 0.058 6.314 1.00 0.00 N ATOM 643 CA ALA A 45 4.439 -0.196 7.112 1.00 0.00 C ATOM 644 C ALA A 45 4.215 -1.698 7.143 1.00 0.00 C ATOM 645 O ALA A 45 4.745 -2.416 6.297 1.00 0.00 O ATOM 646 CB ALA A 45 3.216 0.511 6.527 1.00 0.00 C ATOM 0 H ALA A 45 5.665 -0.483 5.450 1.00 0.00 H new ATOM 0 HA ALA A 45 4.582 0.194 8.120 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.344 0.301 7.146 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.394 1.586 6.504 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.038 0.151 5.514 1.00 0.00 H new ATOM 652 N TRP A 46 3.384 -2.147 8.068 1.00 0.00 N ATOM 653 CA TRP A 46 2.954 -3.523 8.226 1.00 0.00 C ATOM 654 C TRP A 46 1.437 -3.559 8.132 1.00 0.00 C ATOM 655 O TRP A 46 0.773 -2.582 8.487 1.00 0.00 O ATOM 656 CB TRP A 46 3.492 -4.087 9.543 1.00 0.00 C ATOM 657 CG TRP A 46 4.851 -4.698 9.407 1.00 0.00 C ATOM 658 CD1 TRP A 46 6.048 -4.066 9.492 1.00 0.00 C ATOM 659 CD2 TRP A 46 5.138 -6.082 9.051 1.00 0.00 C ATOM 660 NE1 TRP A 46 7.060 -4.991 9.262 1.00 0.00 N ATOM 661 CE2 TRP A 46 6.548 -6.234 8.931 1.00 0.00 C ATOM 662 CE3 TRP A 46 4.338 -7.212 8.779 1.00 0.00 C ATOM 663 CZ2 TRP A 46 7.127 -7.455 8.544 1.00 0.00 C ATOM 664 CZ3 TRP A 46 4.910 -8.434 8.382 1.00 0.00 C ATOM 665 CH2 TRP A 46 6.303 -8.558 8.265 1.00 0.00 C ATOM 0 H TRP A 46 2.970 -1.528 8.765 1.00 0.00 H new ATOM 0 HA TRP A 46 3.354 -4.160 7.437 1.00 0.00 H new ATOM 0 HB2 TRP A 46 3.531 -3.289 10.284 1.00 0.00 H new ATOM 0 HB3 TRP A 46 2.798 -4.838 9.920 1.00 0.00 H new ATOM 0 HD1 TRP A 46 6.191 -3.017 9.704 1.00 0.00 H new ATOM 0 HE1 TRP A 46 8.056 -4.780 9.329 1.00 0.00 H new ATOM 0 HE3 TRP A 46 3.265 -7.137 8.878 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 8.200 -7.545 8.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 4.275 -9.280 8.166 1.00 0.00 H new ATOM 0 HH2 TRP A 46 6.740 -9.498 7.962 1.00 0.00 H new ATOM 676 N LEU A 47 0.918 -4.660 7.588 1.00 0.00 N ATOM 677 CA LEU A 47 -0.435 -4.801 7.075 1.00 0.00 C ATOM 678 C LEU A 47 -0.986 -6.173 7.449 1.00 0.00 C ATOM 679 O LEU A 47 -0.201 -7.106 7.647 1.00 0.00 O ATOM 680 CB LEU A 47 -0.415 -4.689 5.538 1.00 0.00 C ATOM 681 CG LEU A 47 0.027 -3.323 4.986 1.00 0.00 C ATOM 682 CD1 LEU A 47 0.233 -3.412 3.479 1.00 0.00 C ATOM 683 CD2 LEU A 47 -0.999 -2.225 5.257 1.00 0.00 C ATOM 0 H LEU A 47 1.461 -5.518 7.491 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.060 -4.017 7.503 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.252 -5.455 5.143 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.414 -4.909 5.161 1.00 0.00 H new ATOM 0 HG LEU A 47 0.956 -3.067 5.496 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.546 -2.440 3.097 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.002 -4.153 3.260 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.701 -3.706 3.001 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.639 -1.281 4.847 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.946 -2.487 4.785 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.146 -2.121 6.332 1.00 0.00 H new ATOM 695 N GLU A 48 -2.317 -6.318 7.497 1.00 0.00 N ATOM 696 CA GLU A 48 -2.946 -7.582 7.901 1.00 0.00 C ATOM 697 C GLU A 48 -4.237 -7.981 7.179 1.00 0.00 C ATOM 698 O GLU A 48 -5.108 -8.623 7.775 1.00 0.00 O ATOM 699 CB GLU A 48 -3.028 -7.674 9.426 1.00 0.00 C ATOM 700 CG GLU A 48 -4.029 -6.757 10.114 1.00 0.00 C ATOM 701 CD GLU A 48 -3.897 -6.819 11.647 1.00 0.00 C ATOM 702 OE1 GLU A 48 -3.034 -7.548 12.191 1.00 0.00 O ATOM 703 OE2 GLU A 48 -4.618 -6.054 12.327 1.00 0.00 O ATOM 0 H GLU A 48 -2.977 -5.577 7.262 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.272 -8.360 7.541 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.271 -8.703 9.692 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.039 -7.464 9.833 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.875 -5.732 9.777 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.041 -7.040 9.824 1.00 0.00 H new ATOM 710 N LEU A 49 -4.351 -7.686 5.879 1.00 0.00 N ATOM 711 CA LEU A 49 -5.580 -7.837 5.087 1.00 0.00 C ATOM 712 C LEU A 49 -6.777 -7.163 5.779 1.00 0.00 C ATOM 713 O LEU A 49 -6.619 -6.358 6.701 1.00 0.00 O ATOM 714 CB LEU A 49 -5.837 -9.327 4.733 1.00 0.00 C ATOM 715 CG LEU A 49 -5.324 -9.823 3.367 1.00 0.00 C ATOM 716 CD1 LEU A 49 -5.962 -11.177 3.037 1.00 0.00 C ATOM 717 CD2 LEU A 49 -5.596 -8.884 2.191 1.00 0.00 C ATOM 0 H LEU A 49 -3.569 -7.325 5.332 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.446 -7.316 4.139 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.382 -9.942 5.509 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.912 -9.504 4.775 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.242 -9.884 3.481 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.597 -11.525 2.071 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.697 -11.901 3.807 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -7.046 -11.069 2.998 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.197 -9.322 1.276 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.671 -8.736 2.084 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.114 -7.923 2.373 1.00 0.00 H new ATOM 729 N PHE A 50 -7.974 -7.412 5.258 1.00 0.00 N ATOM 730 CA PHE A 50 -9.249 -6.969 5.789 1.00 0.00 C ATOM 731 C PHE A 50 -10.163 -8.125 6.185 1.00 0.00 C ATOM 732 O PHE A 50 -11.066 -7.943 7.007 1.00 0.00 O ATOM 733 CB PHE A 50 -9.931 -6.099 4.725 1.00 0.00 C ATOM 734 CG PHE A 50 -10.341 -4.773 5.289 1.00 0.00 C ATOM 735 CD1 PHE A 50 -9.369 -3.976 5.913 1.00 0.00 C ATOM 736 CD2 PHE A 50 -11.686 -4.375 5.264 1.00 0.00 C ATOM 737 CE1 PHE A 50 -9.743 -2.786 6.543 1.00 0.00 C ATOM 738 CE2 PHE A 50 -12.049 -3.147 5.842 1.00 0.00 C ATOM 739 CZ PHE A 50 -11.081 -2.356 6.489 1.00 0.00 C ATOM 0 H PHE A 50 -8.081 -7.960 4.405 1.00 0.00 H new ATOM 0 HA PHE A 50 -9.061 -6.403 6.702 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -9.251 -5.946 3.887 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.807 -6.617 4.335 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -8.333 -4.282 5.906 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -12.434 -5.005 4.806 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -9.006 -2.198 7.070 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -13.073 -2.809 5.790 1.00 0.00 H new ATOM 0 HZ PHE A 50 -11.366 -1.419 6.944 1.00 0.00 H new ATOM 781 N GLN A 54 -9.078 -12.807 -0.385 1.00 0.00 N ATOM 782 CA GLN A 54 -7.621 -12.871 -0.312 1.00 0.00 C ATOM 783 C GLN A 54 -7.032 -13.239 -1.686 1.00 0.00 C ATOM 784 O GLN A 54 -7.763 -13.756 -2.539 1.00 0.00 O ATOM 785 CB GLN A 54 -7.231 -13.895 0.780 1.00 0.00 C ATOM 786 CG GLN A 54 -7.820 -15.296 0.565 1.00 0.00 C ATOM 787 CD GLN A 54 -7.340 -16.298 1.610 1.00 0.00 C ATOM 788 OE1 GLN A 54 -6.930 -17.403 1.286 1.00 0.00 O ATOM 789 NE2 GLN A 54 -7.398 -15.983 2.901 1.00 0.00 N ATOM 0 HA GLN A 54 -7.209 -11.898 -0.044 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.144 -13.972 0.820 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -7.559 -13.519 1.749 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.908 -15.238 0.595 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.547 -15.653 -0.428 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.738 -15.065 3.187 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -7.103 -16.660 3.605 1.00 0.00 H new ATOM 798 N PRO A 55 -5.723 -13.015 -1.911 1.00 0.00 N ATOM 799 CA PRO A 55 -5.047 -13.502 -3.104 1.00 0.00 C ATOM 800 C PRO A 55 -4.967 -15.034 -3.078 1.00 0.00 C ATOM 801 O PRO A 55 -5.217 -15.645 -2.033 1.00 0.00 O ATOM 802 CB PRO A 55 -3.653 -12.862 -3.097 1.00 0.00 C ATOM 803 CG PRO A 55 -3.396 -12.569 -1.627 1.00 0.00 C ATOM 804 CD PRO A 55 -4.784 -12.325 -1.042 1.00 0.00 C ATOM 0 HA PRO A 55 -5.584 -13.235 -4.014 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.901 -13.536 -3.508 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.627 -11.952 -3.697 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.899 -13.406 -1.136 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -2.753 -11.698 -1.502 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.848 -12.705 -0.022 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.006 -11.259 -1.000 1.00 0.00 H new ATOM 812 N PRO A 56 -4.598 -15.679 -4.196 1.00 0.00 N ATOM 813 CA PRO A 56 -4.188 -17.071 -4.155 1.00 0.00 C ATOM 814 C PRO A 56 -2.890 -17.215 -3.339 1.00 0.00 C ATOM 815 O PRO A 56 -2.089 -16.276 -3.283 1.00 0.00 O ATOM 816 CB PRO A 56 -3.999 -17.506 -5.612 1.00 0.00 C ATOM 817 CG PRO A 56 -4.116 -16.241 -6.464 1.00 0.00 C ATOM 818 CD PRO A 56 -4.354 -15.087 -5.499 1.00 0.00 C ATOM 0 HA PRO A 56 -4.931 -17.702 -3.667 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -3.027 -17.979 -5.752 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.754 -18.238 -5.899 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.208 -16.080 -7.045 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.938 -16.327 -7.175 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.490 -14.424 -5.467 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -5.206 -14.486 -5.817 1.00 0.00 H new ATOM 826 N PRO A 57 -2.619 -18.403 -2.772 1.00 0.00 N ATOM 827 CA PRO A 57 -1.309 -18.749 -2.246 1.00 0.00 C ATOM 828 C PRO A 57 -0.336 -18.869 -3.421 1.00 0.00 C ATOM 829 O PRO A 57 -0.750 -18.857 -4.584 1.00 0.00 O ATOM 830 CB PRO A 57 -1.515 -20.094 -1.542 1.00 0.00 C ATOM 831 CG PRO A 57 -2.578 -20.762 -2.413 1.00 0.00 C ATOM 832 CD PRO A 57 -3.455 -19.588 -2.836 1.00 0.00 C ATOM 0 HA PRO A 57 -0.898 -18.011 -1.557 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.595 -20.678 -1.504 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.854 -19.967 -0.514 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.137 -21.268 -3.272 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.144 -21.510 -1.858 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.841 -19.736 -3.845 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.317 -19.490 -2.176 1.00 0.00 H new ATOM 840 N ASN A 58 0.955 -19.080 -3.153 1.00 0.00 N ATOM 841 CA ASN A 58 1.945 -19.369 -4.200 1.00 0.00 C ATOM 842 C ASN A 58 2.033 -18.214 -5.226 1.00 0.00 C ATOM 843 O ASN A 58 2.373 -18.420 -6.398 1.00 0.00 O ATOM 844 CB ASN A 58 1.591 -20.733 -4.849 1.00 0.00 C ATOM 845 CG ASN A 58 2.708 -21.749 -4.773 1.00 0.00 C ATOM 846 OD1 ASN A 58 3.362 -22.035 -5.768 1.00 0.00 O ATOM 847 ND2 ASN A 58 2.935 -22.315 -3.603 1.00 0.00 N ATOM 0 H ASN A 58 1.344 -19.056 -2.211 1.00 0.00 H new ATOM 0 HA ASN A 58 2.942 -19.444 -3.765 1.00 0.00 H new ATOM 0 HB2 ASN A 58 0.707 -21.140 -4.359 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.329 -20.571 -5.895 1.00 0.00 H new ATOM 0 HD21 ASN A 58 3.673 -23.013 -3.509 1.00 0.00 H new ATOM 0 HD22 ASN A 58 2.372 -22.055 -2.793 1.00 0.00 H new ATOM 854 N THR A 59 1.638 -17.006 -4.808 1.00 0.00 N ATOM 855 CA THR A 59 1.393 -15.855 -5.664 1.00 0.00 C ATOM 856 C THR A 59 1.971 -14.593 -5.028 1.00 0.00 C ATOM 857 O THR A 59 2.622 -13.839 -5.745 1.00 0.00 O ATOM 858 CB THR A 59 -0.111 -15.764 -5.961 1.00 0.00 C ATOM 859 OG1 THR A 59 -0.604 -17.005 -6.443 1.00 0.00 O ATOM 860 CG2 THR A 59 -0.415 -14.754 -7.051 1.00 0.00 C ATOM 0 H THR A 59 1.475 -16.802 -3.822 1.00 0.00 H new ATOM 0 HA THR A 59 1.903 -15.967 -6.621 1.00 0.00 H new ATOM 0 HB THR A 59 -0.580 -15.473 -5.021 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.664 -17.643 -5.702 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.490 -14.723 -7.228 1.00 0.00 H new ATOM 0 HG22 THR A 59 -0.070 -13.768 -6.740 1.00 0.00 H new ATOM 0 HG23 THR A 59 0.096 -15.045 -7.969 1.00 0.00 H new ATOM 868 N LEU A 60 1.794 -14.357 -3.721 1.00 0.00 N ATOM 869 CA LEU A 60 2.511 -13.291 -3.015 1.00 0.00 C ATOM 870 C LEU A 60 3.986 -13.677 -2.877 1.00 0.00 C ATOM 871 O LEU A 60 4.285 -14.811 -2.479 1.00 0.00 O ATOM 872 CB LEU A 60 1.913 -13.043 -1.618 1.00 0.00 C ATOM 873 CG LEU A 60 0.488 -12.451 -1.601 1.00 0.00 C ATOM 874 CD1 LEU A 60 0.087 -12.108 -0.167 1.00 0.00 C ATOM 875 CD2 LEU A 60 0.372 -11.165 -2.420 1.00 0.00 C ATOM 0 H LEU A 60 1.158 -14.893 -3.131 1.00 0.00 H new ATOM 0 HA LEU A 60 2.414 -12.373 -3.594 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.902 -13.987 -1.074 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.574 -12.369 -1.073 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.163 -13.209 -2.037 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.920 -11.690 -0.161 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.109 -13.011 0.443 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.785 -11.377 0.241 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.652 -10.794 -2.372 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.050 -10.413 -2.015 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.635 -11.370 -3.458 1.00 0.00 H new ATOM 887 N SER A 61 4.894 -12.736 -3.139 1.00 0.00 N ATOM 888 CA SER A 61 6.318 -12.859 -2.822 1.00 0.00 C ATOM 889 C SER A 61 6.842 -11.588 -2.130 1.00 0.00 C ATOM 890 O SER A 61 6.239 -10.520 -2.222 1.00 0.00 O ATOM 891 CB SER A 61 7.112 -13.137 -4.103 1.00 0.00 C ATOM 892 OG SER A 61 6.626 -14.232 -4.859 1.00 0.00 O ATOM 0 H SER A 61 4.656 -11.850 -3.586 1.00 0.00 H new ATOM 0 HA SER A 61 6.449 -13.693 -2.132 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.098 -12.244 -4.727 1.00 0.00 H new ATOM 0 HB3 SER A 61 8.153 -13.325 -3.839 1.00 0.00 H new ATOM 0 HG SER A 61 7.179 -14.348 -5.660 1.00 0.00 H new ATOM 898 N GLU A 62 8.013 -11.671 -1.493 1.00 0.00 N ATOM 899 CA GLU A 62 8.571 -10.631 -0.608 1.00 0.00 C ATOM 900 C GLU A 62 9.088 -9.391 -1.345 1.00 0.00 C ATOM 901 O GLU A 62 9.616 -8.460 -0.736 1.00 0.00 O ATOM 902 CB GLU A 62 9.723 -11.174 0.248 1.00 0.00 C ATOM 903 CG GLU A 62 9.291 -12.300 1.178 1.00 0.00 C ATOM 904 CD GLU A 62 10.242 -12.399 2.371 1.00 0.00 C ATOM 905 OE1 GLU A 62 11.450 -12.657 2.163 1.00 0.00 O ATOM 906 OE2 GLU A 62 9.790 -12.189 3.519 1.00 0.00 O ATOM 0 H GLU A 62 8.621 -12.486 -1.578 1.00 0.00 H new ATOM 0 HA GLU A 62 7.727 -10.334 0.014 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.517 -11.535 -0.406 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.143 -10.361 0.841 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.275 -12.121 1.529 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.279 -13.245 0.635 1.00 0.00 H new ATOM 913 N GLY A 63 8.988 -9.374 -2.662 1.00 0.00 N ATOM 914 CA GLY A 63 9.458 -8.302 -3.522 1.00 0.00 C ATOM 915 C GLY A 63 8.358 -7.802 -4.434 1.00 0.00 C ATOM 916 O GLY A 63 8.678 -7.096 -5.386 1.00 0.00 O ATOM 0 H GLY A 63 8.559 -10.139 -3.184 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.828 -7.479 -2.911 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.297 -8.656 -4.121 1.00 0.00 H new ATOM 920 N ALA A 64 7.101 -8.208 -4.205 1.00 0.00 N ATOM 921 CA ALA A 64 6.035 -7.934 -5.153 1.00 0.00 C ATOM 922 C ALA A 64 5.892 -6.421 -5.221 1.00 0.00 C ATOM 923 O ALA A 64 5.818 -5.797 -4.164 1.00 0.00 O ATOM 924 CB ALA A 64 4.742 -8.621 -4.703 1.00 0.00 C ATOM 0 H ALA A 64 6.808 -8.723 -3.375 1.00 0.00 H new ATOM 0 HA ALA A 64 6.260 -8.327 -6.145 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.949 -8.409 -5.420 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.903 -9.698 -4.647 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.453 -8.245 -3.721 1.00 0.00 H new ATOM 930 N GLU A 65 5.913 -5.830 -6.416 1.00 0.00 N ATOM 931 CA GLU A 65 5.756 -4.391 -6.640 1.00 0.00 C ATOM 932 C GLU A 65 4.290 -3.987 -6.426 1.00 0.00 C ATOM 933 O GLU A 65 3.519 -3.741 -7.353 1.00 0.00 O ATOM 934 CB GLU A 65 6.336 -3.954 -7.998 1.00 0.00 C ATOM 935 CG GLU A 65 5.802 -4.759 -9.198 1.00 0.00 C ATOM 936 CD GLU A 65 6.318 -4.247 -10.544 1.00 0.00 C ATOM 937 OE1 GLU A 65 7.369 -4.740 -11.023 1.00 0.00 O ATOM 938 OE2 GLU A 65 5.650 -3.441 -11.222 1.00 0.00 O ATOM 0 H GLU A 65 6.044 -6.354 -7.281 1.00 0.00 H new ATOM 0 HA GLU A 65 6.345 -3.846 -5.902 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.113 -2.899 -8.154 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.421 -4.048 -7.965 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.086 -5.805 -9.081 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.713 -4.723 -9.196 1.00 0.00 H new ATOM 945 N VAL A 66 3.880 -4.012 -5.167 1.00 0.00 N ATOM 946 CA VAL A 66 2.504 -3.769 -4.775 1.00 0.00 C ATOM 947 C VAL A 66 2.250 -2.270 -4.688 1.00 0.00 C ATOM 948 O VAL A 66 3.064 -1.507 -4.150 1.00 0.00 O ATOM 949 CB VAL A 66 2.100 -4.530 -3.505 1.00 0.00 C ATOM 950 CG1 VAL A 66 2.448 -6.011 -3.634 1.00 0.00 C ATOM 951 CG2 VAL A 66 2.734 -4.002 -2.221 1.00 0.00 C ATOM 0 H VAL A 66 4.502 -4.204 -4.382 1.00 0.00 H new ATOM 0 HA VAL A 66 1.852 -4.173 -5.549 1.00 0.00 H new ATOM 0 HB VAL A 66 1.024 -4.378 -3.421 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.154 -6.534 -2.724 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.917 -6.437 -4.485 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.522 -6.121 -3.785 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.393 -4.598 -1.375 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.819 -4.068 -2.297 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.443 -2.962 -2.073 1.00 0.00 H new ATOM 961 N SER A 67 1.112 -1.851 -5.222 1.00 0.00 N ATOM 962 CA SER A 67 0.793 -0.458 -5.453 1.00 0.00 C ATOM 963 C SER A 67 -0.239 0.004 -4.408 1.00 0.00 C ATOM 964 O SER A 67 -1.306 -0.602 -4.303 1.00 0.00 O ATOM 965 CB SER A 67 0.352 -0.261 -6.924 1.00 0.00 C ATOM 966 OG SER A 67 0.391 -1.422 -7.745 1.00 0.00 O ATOM 0 H SER A 67 0.370 -2.489 -5.512 1.00 0.00 H new ATOM 0 HA SER A 67 1.668 0.179 -5.320 1.00 0.00 H new ATOM 0 HB2 SER A 67 -0.666 0.130 -6.929 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.988 0.501 -7.375 1.00 0.00 H new ATOM 0 HG SER A 67 0.094 -1.193 -8.650 1.00 0.00 H new ATOM 972 N VAL A 68 0.084 1.024 -3.585 1.00 0.00 N ATOM 973 CA VAL A 68 -0.844 1.530 -2.580 1.00 0.00 C ATOM 974 C VAL A 68 -1.724 2.580 -3.228 1.00 0.00 C ATOM 975 O VAL A 68 -1.267 3.290 -4.127 1.00 0.00 O ATOM 976 CB VAL A 68 -0.122 2.099 -1.336 1.00 0.00 C ATOM 977 CG1 VAL A 68 1.045 1.231 -0.853 1.00 0.00 C ATOM 978 CG2 VAL A 68 0.138 3.586 -1.289 1.00 0.00 C ATOM 0 H VAL A 68 0.983 1.506 -3.605 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.451 0.701 -2.217 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.898 2.015 -0.575 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.503 1.692 0.022 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.676 0.240 -0.590 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.786 1.143 -1.647 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.650 3.837 -0.360 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.762 3.873 -2.136 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.809 4.123 -1.338 1.00 0.00 H new ATOM 988 N SER A 69 -2.907 2.777 -2.654 1.00 0.00 N ATOM 989 CA SER A 69 -3.662 4.009 -2.720 1.00 0.00 C ATOM 990 C SER A 69 -4.336 4.209 -1.364 1.00 0.00 C ATOM 991 O SER A 69 -4.562 3.228 -0.645 1.00 0.00 O ATOM 992 CB SER A 69 -4.641 3.947 -3.901 1.00 0.00 C ATOM 993 OG SER A 69 -5.818 3.219 -3.626 1.00 0.00 O ATOM 0 H SER A 69 -3.377 2.052 -2.112 1.00 0.00 H new ATOM 0 HA SER A 69 -3.028 4.876 -2.907 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.912 4.962 -4.190 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.137 3.496 -4.756 1.00 0.00 H new ATOM 0 HG SER A 69 -6.396 3.221 -4.417 1.00 0.00 H new ATOM 999 N VAL A 70 -4.659 5.450 -1.010 1.00 0.00 N ATOM 1000 CA VAL A 70 -5.579 5.779 0.060 1.00 0.00 C ATOM 1001 C VAL A 70 -6.238 7.119 -0.290 1.00 0.00 C ATOM 1002 O VAL A 70 -5.654 7.977 -0.956 1.00 0.00 O ATOM 1003 CB VAL A 70 -4.857 5.772 1.427 1.00 0.00 C ATOM 1004 CG1 VAL A 70 -3.720 6.799 1.545 1.00 0.00 C ATOM 1005 CG2 VAL A 70 -5.855 5.981 2.571 1.00 0.00 C ATOM 0 H VAL A 70 -4.275 6.272 -1.476 1.00 0.00 H new ATOM 0 HA VAL A 70 -6.364 5.029 0.156 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.396 4.787 1.501 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.267 6.728 2.534 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.966 6.596 0.785 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.120 7.803 1.400 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.324 5.972 3.523 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.358 6.940 2.445 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.594 5.180 2.560 1.00 0.00 H new ATOM 1015 N TRP A 71 -7.462 7.306 0.180 1.00 0.00 N ATOM 1016 CA TRP A 71 -8.185 8.552 0.056 1.00 0.00 C ATOM 1017 C TRP A 71 -8.055 9.269 1.390 1.00 0.00 C ATOM 1018 O TRP A 71 -8.392 8.695 2.434 1.00 0.00 O ATOM 1019 CB TRP A 71 -9.623 8.220 -0.313 1.00 0.00 C ATOM 1020 CG TRP A 71 -9.799 7.697 -1.708 1.00 0.00 C ATOM 1021 CD1 TRP A 71 -9.725 6.404 -2.106 1.00 0.00 C ATOM 1022 CD2 TRP A 71 -10.021 8.468 -2.922 1.00 0.00 C ATOM 1023 NE1 TRP A 71 -9.966 6.320 -3.465 1.00 0.00 N ATOM 1024 CE2 TRP A 71 -10.149 7.569 -4.020 1.00 0.00 C ATOM 1025 CE3 TRP A 71 -10.084 9.846 -3.210 1.00 0.00 C ATOM 1026 CZ2 TRP A 71 -10.355 8.023 -5.331 1.00 0.00 C ATOM 1027 CZ3 TRP A 71 -10.283 10.303 -4.524 1.00 0.00 C ATOM 1028 CH2 TRP A 71 -10.443 9.399 -5.587 1.00 0.00 C ATOM 0 H TRP A 71 -7.986 6.579 0.667 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.797 9.209 -0.722 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -10.004 7.480 0.390 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -10.232 9.116 -0.194 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -9.510 5.566 -1.460 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -10.004 5.446 -3.990 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.978 10.562 -2.408 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -10.446 7.315 -6.141 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -10.313 11.365 -4.719 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -10.631 9.759 -6.588 1.00 0.00 H new ATOM 1039 N THR A 72 -7.484 10.469 1.378 1.00 0.00 N ATOM 1040 CA THR A 72 -7.311 11.292 2.563 1.00 0.00 C ATOM 1041 C THR A 72 -7.184 12.748 2.092 1.00 0.00 C ATOM 1042 O THR A 72 -6.801 12.988 0.943 1.00 0.00 O ATOM 1043 CB THR A 72 -6.091 10.759 3.344 1.00 0.00 C ATOM 1044 OG1 THR A 72 -6.169 11.068 4.719 1.00 0.00 O ATOM 1045 CG2 THR A 72 -4.739 11.171 2.762 1.00 0.00 C ATOM 0 H THR A 72 -7.123 10.902 0.528 1.00 0.00 H new ATOM 0 HA THR A 72 -8.154 11.251 3.252 1.00 0.00 H new ATOM 0 HB THR A 72 -6.141 9.676 3.230 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.380 10.713 5.179 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.938 10.754 3.372 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.652 10.795 1.742 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.662 12.258 2.756 1.00 0.00 H new ATOM 1053 N GLY A 73 -7.479 13.721 2.956 1.00 0.00 N ATOM 1054 CA GLY A 73 -7.242 15.138 2.683 1.00 0.00 C ATOM 1055 C GLY A 73 -7.864 15.604 1.363 1.00 0.00 C ATOM 1056 O GLY A 73 -7.207 16.311 0.595 1.00 0.00 O ATOM 0 H GLY A 73 -7.892 13.545 3.872 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.649 15.733 3.500 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -6.168 15.323 2.658 1.00 0.00 H new ATOM 1060 N GLY A 74 -9.093 15.177 1.062 1.00 0.00 N ATOM 1061 CA GLY A 74 -9.807 15.538 -0.158 1.00 0.00 C ATOM 1062 C GLY A 74 -9.411 14.696 -1.377 1.00 0.00 C ATOM 1063 O GLY A 74 -10.199 14.572 -2.317 1.00 0.00 O ATOM 0 H GLY A 74 -9.627 14.559 1.673 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.878 15.431 0.014 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -9.623 16.589 -0.379 1.00 0.00 H new ATOM 1067 N ALA A 75 -8.219 14.090 -1.384 1.00 0.00 N ATOM 1068 CA ALA A 75 -7.550 13.674 -2.607 1.00 0.00 C ATOM 1069 C ALA A 75 -7.305 12.172 -2.642 1.00 0.00 C ATOM 1070 O ALA A 75 -7.342 11.499 -1.609 1.00 0.00 O ATOM 1071 CB ALA A 75 -6.242 14.454 -2.748 1.00 0.00 C ATOM 0 H ALA A 75 -7.695 13.877 -0.535 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.199 13.897 -3.454 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.733 14.149 -3.662 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.458 15.522 -2.792 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.601 14.248 -1.890 1.00 0.00 H new ATOM 1077 N LEU A 76 -7.004 11.655 -3.835 1.00 0.00 N ATOM 1078 CA LEU A 76 -6.420 10.342 -4.014 1.00 0.00 C ATOM 1079 C LEU A 76 -4.918 10.498 -3.853 1.00 0.00 C ATOM 1080 O LEU A 76 -4.243 10.991 -4.759 1.00 0.00 O ATOM 1081 CB LEU A 76 -6.747 9.835 -5.423 1.00 0.00 C ATOM 1082 CG LEU A 76 -6.246 8.405 -5.721 1.00 0.00 C ATOM 1083 CD1 LEU A 76 -6.496 7.406 -4.584 1.00 0.00 C ATOM 1084 CD2 LEU A 76 -6.918 7.855 -6.988 1.00 0.00 C ATOM 0 H LEU A 76 -7.165 12.151 -4.711 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.812 9.629 -3.289 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.827 9.865 -5.565 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.311 10.518 -6.152 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.168 8.502 -5.848 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.116 6.426 -4.871 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.984 7.744 -3.683 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.566 7.337 -4.389 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.554 6.846 -7.184 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.998 7.830 -6.845 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.679 8.498 -7.835 1.00 0.00 H new ATOM 1096 N CYS A 77 -4.376 10.126 -2.705 1.00 0.00 N ATOM 1097 CA CYS A 77 -2.954 9.930 -2.572 1.00 0.00 C ATOM 1098 C CYS A 77 -2.693 8.482 -2.948 1.00 0.00 C ATOM 1099 O CYS A 77 -3.278 7.574 -2.352 1.00 0.00 O ATOM 1100 CB CYS A 77 -2.563 10.206 -1.119 1.00 0.00 C ATOM 1101 SG CYS A 77 -2.674 11.979 -0.739 1.00 0.00 S ATOM 0 H CYS A 77 -4.908 9.955 -1.852 1.00 0.00 H new ATOM 0 HA CYS A 77 -2.371 10.595 -3.209 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -3.217 9.646 -0.450 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -1.547 9.855 -0.939 1.00 0.00 H new ATOM 0 HG CYS A 77 -1.929 12.249 0.292 1.00 0.00 H new ATOM 1107 N ARG A 78 -1.831 8.229 -3.928 1.00 0.00 N ATOM 1108 CA ARG A 78 -1.373 6.855 -4.109 1.00 0.00 C ATOM 1109 C ARG A 78 0.120 6.927 -4.267 1.00 0.00 C ATOM 1110 O ARG A 78 0.661 7.947 -4.705 1.00 0.00 O ATOM 1111 CB ARG A 78 -2.073 6.163 -5.287 1.00 0.00 C ATOM 1112 CG ARG A 78 -1.340 6.097 -6.634 1.00 0.00 C ATOM 1113 CD ARG A 78 -0.570 4.808 -6.849 1.00 0.00 C ATOM 1114 NE ARG A 78 -0.304 4.478 -8.257 1.00 0.00 N ATOM 1115 CZ ARG A 78 0.690 4.916 -9.035 1.00 0.00 C ATOM 1116 NH1 ARG A 78 1.412 5.974 -8.678 1.00 0.00 N ATOM 1117 NH2 ARG A 78 0.986 4.283 -10.165 1.00 0.00 N ATOM 0 H ARG A 78 -1.451 8.917 -4.579 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.630 6.236 -3.249 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -2.303 5.142 -4.983 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.025 6.668 -5.451 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.066 6.214 -7.438 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -0.650 6.938 -6.703 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.381 4.876 -6.320 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -1.128 3.988 -6.397 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.962 3.833 -8.695 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.209 6.458 -7.804 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.169 6.301 -9.278 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.453 3.458 -10.442 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.746 4.622 -10.755 1.00 0.00 H new ATOM 1131 N CYS A 79 0.768 5.805 -4.003 1.00 0.00 N ATOM 1132 CA CYS A 79 2.202 5.684 -4.123 1.00 0.00 C ATOM 1133 C CYS A 79 2.608 4.265 -4.517 1.00 0.00 C ATOM 1134 O CYS A 79 2.025 3.303 -4.015 1.00 0.00 O ATOM 1135 CB CYS A 79 2.770 5.947 -2.721 1.00 0.00 C ATOM 1136 SG CYS A 79 4.577 5.787 -2.629 1.00 0.00 S ATOM 0 H CYS A 79 0.306 4.949 -3.697 1.00 0.00 H new ATOM 0 HA CYS A 79 2.569 6.376 -4.881 1.00 0.00 H new ATOM 0 HB2 CYS A 79 2.486 6.951 -2.405 1.00 0.00 H new ATOM 0 HB3 CYS A 79 2.315 5.250 -2.017 1.00 0.00 H new ATOM 0 HG CYS A 79 4.935 4.633 -3.108 1.00 0.00 H new ATOM 1142 N ASP A 80 3.619 4.117 -5.365 1.00 0.00 N ATOM 1143 CA ASP A 80 4.224 2.837 -5.748 1.00 0.00 C ATOM 1144 C ASP A 80 5.014 2.247 -4.562 1.00 0.00 C ATOM 1145 O ASP A 80 5.599 2.996 -3.778 1.00 0.00 O ATOM 1146 CB ASP A 80 5.200 3.045 -6.930 1.00 0.00 C ATOM 1147 CG ASP A 80 4.678 3.935 -8.066 1.00 0.00 C ATOM 1148 OD1 ASP A 80 4.616 5.174 -7.876 1.00 0.00 O ATOM 1149 OD2 ASP A 80 4.400 3.423 -9.173 1.00 0.00 O ATOM 0 H ASP A 80 4.060 4.913 -5.825 1.00 0.00 H new ATOM 0 HA ASP A 80 3.426 2.154 -6.039 1.00 0.00 H new ATOM 0 HB2 ASP A 80 6.122 3.480 -6.545 1.00 0.00 H new ATOM 0 HB3 ASP A 80 5.456 2.070 -7.344 1.00 0.00 H new ATOM 1154 N GLY A 81 5.123 0.921 -4.445 1.00 0.00 N ATOM 1155 CA GLY A 81 5.920 0.287 -3.395 1.00 0.00 C ATOM 1156 C GLY A 81 6.304 -1.155 -3.733 1.00 0.00 C ATOM 1157 O GLY A 81 6.180 -1.571 -4.887 1.00 0.00 O ATOM 0 H GLY A 81 4.663 0.261 -5.072 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.826 0.870 -3.230 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.358 0.299 -2.461 1.00 0.00 H new ATOM 1161 N ARG A 82 6.807 -1.908 -2.745 1.00 0.00 N ATOM 1162 CA ARG A 82 6.970 -3.365 -2.765 1.00 0.00 C ATOM 1163 C ARG A 82 6.593 -3.959 -1.407 1.00 0.00 C ATOM 1164 O ARG A 82 6.285 -3.188 -0.505 1.00 0.00 O ATOM 1165 CB ARG A 82 8.391 -3.822 -3.100 1.00 0.00 C ATOM 1166 CG ARG A 82 9.007 -3.240 -4.370 1.00 0.00 C ATOM 1167 CD ARG A 82 10.221 -4.109 -4.705 1.00 0.00 C ATOM 1168 NE ARG A 82 11.285 -3.301 -5.308 1.00 0.00 N ATOM 1169 CZ ARG A 82 12.513 -3.114 -4.817 1.00 0.00 C ATOM 1170 NH1 ARG A 82 12.981 -3.902 -3.857 1.00 0.00 N ATOM 1171 NH2 ARG A 82 13.274 -2.138 -5.299 1.00 0.00 N ATOM 0 H ARG A 82 7.126 -1.496 -1.868 1.00 0.00 H new ATOM 0 HA ARG A 82 6.309 -3.720 -3.555 1.00 0.00 H new ATOM 0 HB2 ARG A 82 9.038 -3.571 -2.260 1.00 0.00 H new ATOM 0 HB3 ARG A 82 8.389 -4.908 -3.187 1.00 0.00 H new ATOM 0 HG2 ARG A 82 8.287 -3.248 -5.188 1.00 0.00 H new ATOM 0 HG3 ARG A 82 9.304 -2.202 -4.216 1.00 0.00 H new ATOM 0 HD2 ARG A 82 10.591 -4.590 -3.800 1.00 0.00 H new ATOM 0 HD3 ARG A 82 9.928 -4.904 -5.391 1.00 0.00 H new ATOM 0 HE ARG A 82 11.066 -2.836 -6.189 1.00 0.00 H new ATOM 0 HH11 ARG A 82 12.402 -4.657 -3.489 1.00 0.00 H new ATOM 0 HH12 ARG A 82 13.920 -3.753 -3.487 1.00 0.00 H new ATOM 0 HH21 ARG A 82 12.920 -1.535 -6.041 1.00 0.00 H new ATOM 0 HH22 ARG A 82 14.212 -1.992 -4.927 1.00 0.00 H new ATOM 1185 N VAL A 83 6.660 -5.285 -1.244 1.00 0.00 N ATOM 1186 CA VAL A 83 6.403 -5.993 0.018 1.00 0.00 C ATOM 1187 C VAL A 83 7.536 -5.818 1.058 1.00 0.00 C ATOM 1188 O VAL A 83 7.305 -5.538 2.226 1.00 0.00 O ATOM 1189 CB VAL A 83 6.101 -7.470 -0.315 1.00 0.00 C ATOM 1190 CG1 VAL A 83 6.137 -8.397 0.898 1.00 0.00 C ATOM 1191 CG2 VAL A 83 4.715 -7.598 -0.965 1.00 0.00 C ATOM 0 H VAL A 83 6.902 -5.915 -2.009 1.00 0.00 H new ATOM 0 HA VAL A 83 5.536 -5.552 0.509 1.00 0.00 H new ATOM 0 HB VAL A 83 6.894 -7.779 -0.996 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.915 -9.417 0.583 1.00 0.00 H new ATOM 0 HG12 VAL A 83 7.128 -8.365 1.351 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.394 -8.072 1.626 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.516 -8.645 -1.194 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.955 -7.226 -0.278 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.689 -7.014 -1.885 1.00 0.00 H new ATOM 1201 N GLU A 84 8.785 -5.966 0.644 1.00 0.00 N ATOM 1202 CA GLU A 84 9.994 -6.098 1.469 1.00 0.00 C ATOM 1203 C GLU A 84 10.058 -7.363 2.340 1.00 0.00 C ATOM 1204 O GLU A 84 11.012 -8.127 2.197 1.00 0.00 O ATOM 1205 CB GLU A 84 10.275 -4.835 2.304 1.00 0.00 C ATOM 1206 CG GLU A 84 11.740 -4.824 2.791 1.00 0.00 C ATOM 1207 CD GLU A 84 11.983 -5.441 4.175 1.00 0.00 C ATOM 1208 OE1 GLU A 84 11.090 -5.395 5.046 1.00 0.00 O ATOM 1209 OE2 GLU A 84 13.110 -5.934 4.414 1.00 0.00 O ATOM 0 H GLU A 84 9.005 -6.001 -0.351 1.00 0.00 H new ATOM 0 HA GLU A 84 10.794 -6.214 0.738 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.078 -3.945 1.706 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.601 -4.800 3.160 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.350 -5.358 2.063 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.091 -3.792 2.806 1.00 0.00 H new ATOM 1216 N THR A 85 9.099 -7.586 3.237 1.00 0.00 N ATOM 1217 CA THR A 85 9.001 -8.805 4.047 1.00 0.00 C ATOM 1218 C THR A 85 7.555 -9.292 3.972 1.00 0.00 C ATOM 1219 O THR A 85 6.638 -8.493 4.145 1.00 0.00 O ATOM 1220 CB THR A 85 9.412 -8.529 5.515 1.00 0.00 C ATOM 1221 OG1 THR A 85 10.706 -7.969 5.658 1.00 0.00 O ATOM 1222 CG2 THR A 85 9.413 -9.820 6.341 1.00 0.00 C ATOM 0 H THR A 85 8.354 -6.915 3.427 1.00 0.00 H new ATOM 0 HA THR A 85 9.680 -9.567 3.665 1.00 0.00 H new ATOM 0 HB THR A 85 8.670 -7.813 5.867 1.00 0.00 H new ATOM 0 HG1 THR A 85 10.637 -6.992 5.694 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.705 -9.595 7.367 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.414 -10.256 6.336 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.120 -10.528 5.909 1.00 0.00 H new ATOM 1230 N LEU A 86 7.334 -10.585 3.741 1.00 0.00 N ATOM 1231 CA LEU A 86 6.013 -11.195 3.840 1.00 0.00 C ATOM 1232 C LEU A 86 5.955 -12.007 5.137 1.00 0.00 C ATOM 1233 O LEU A 86 6.993 -12.294 5.741 1.00 0.00 O ATOM 1234 CB LEU A 86 5.742 -12.048 2.590 1.00 0.00 C ATOM 1235 CG LEU A 86 4.238 -12.229 2.291 1.00 0.00 C ATOM 1236 CD1 LEU A 86 3.747 -11.163 1.307 1.00 0.00 C ATOM 1237 CD2 LEU A 86 3.924 -13.590 1.674 1.00 0.00 C ATOM 0 H LEU A 86 8.071 -11.240 3.479 1.00 0.00 H new ATOM 0 HA LEU A 86 5.229 -10.439 3.879 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.223 -11.583 1.730 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.200 -13.028 2.721 1.00 0.00 H new ATOM 0 HG LEU A 86 3.733 -12.141 3.253 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.685 -11.310 1.111 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.903 -10.173 1.735 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.303 -11.246 0.373 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.853 -13.665 1.484 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.468 -13.698 0.736 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.226 -14.380 2.362 1.00 0.00 H new ATOM 1249 N ARG A 87 4.761 -12.362 5.620 1.00 0.00 N ATOM 1250 CA ARG A 87 4.615 -13.088 6.884 1.00 0.00 C ATOM 1251 C ARG A 87 3.561 -14.191 6.844 1.00 0.00 C ATOM 1252 O ARG A 87 3.772 -15.250 7.432 1.00 0.00 O ATOM 1253 CB ARG A 87 4.375 -12.043 7.986 1.00 0.00 C ATOM 1254 CG ARG A 87 4.056 -12.671 9.343 1.00 0.00 C ATOM 1255 CD ARG A 87 4.239 -11.633 10.460 1.00 0.00 C ATOM 1256 NE ARG A 87 4.735 -12.251 11.691 1.00 0.00 N ATOM 1257 CZ ARG A 87 5.945 -12.793 11.859 1.00 0.00 C ATOM 1258 NH1 ARG A 87 6.804 -12.901 10.851 1.00 0.00 N ATOM 1259 NH2 ARG A 87 6.296 -13.232 13.054 1.00 0.00 N ATOM 0 H ARG A 87 3.878 -12.157 5.152 1.00 0.00 H new ATOM 0 HA ARG A 87 5.530 -13.642 7.095 1.00 0.00 H new ATOM 0 HB2 ARG A 87 5.260 -11.414 8.082 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.552 -11.393 7.690 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.032 -13.045 9.348 1.00 0.00 H new ATOM 0 HG3 ARG A 87 4.709 -13.526 9.520 1.00 0.00 H new ATOM 0 HD2 ARG A 87 4.937 -10.863 10.132 1.00 0.00 H new ATOM 0 HD3 ARG A 87 3.288 -11.138 10.658 1.00 0.00 H new ATOM 0 HE ARG A 87 4.102 -12.270 12.490 1.00 0.00 H new ATOM 0 HH11 ARG A 87 6.546 -12.566 9.923 1.00 0.00 H new ATOM 0 HH12 ARG A 87 7.722 -13.319 11.005 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.646 -13.156 13.837 1.00 0.00 H new ATOM 0 HH22 ARG A 87 7.217 -13.648 13.194 1.00 0.00 H new ATOM 1273 N ASP A 88 2.450 -13.973 6.156 1.00 0.00 N ATOM 1274 CA ASP A 88 1.490 -15.003 5.751 1.00 0.00 C ATOM 1275 C ASP A 88 0.923 -14.516 4.422 1.00 0.00 C ATOM 1276 O ASP A 88 1.263 -13.436 3.938 1.00 0.00 O ATOM 1277 CB ASP A 88 0.345 -15.187 6.778 1.00 0.00 C ATOM 1278 CG ASP A 88 0.453 -16.421 7.682 1.00 0.00 C ATOM 1279 OD1 ASP A 88 1.025 -16.351 8.792 1.00 0.00 O ATOM 1280 OD2 ASP A 88 -0.221 -17.431 7.378 1.00 0.00 O ATOM 0 H ASP A 88 2.177 -13.039 5.850 1.00 0.00 H new ATOM 0 HA ASP A 88 1.980 -15.974 5.678 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.302 -14.300 7.410 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.599 -15.238 6.236 1.00 0.00 H new ATOM 1285 N ASP A 89 -0.047 -15.238 3.877 1.00 0.00 N ATOM 1286 CA ASP A 89 -0.840 -14.796 2.731 1.00 0.00 C ATOM 1287 C ASP A 89 -1.764 -13.617 3.076 1.00 0.00 C ATOM 1288 O ASP A 89 -2.536 -13.149 2.234 1.00 0.00 O ATOM 1289 CB ASP A 89 -1.638 -15.981 2.176 1.00 0.00 C ATOM 1290 CG ASP A 89 -0.760 -16.920 1.347 1.00 0.00 C ATOM 1291 OD1 ASP A 89 0.097 -16.446 0.565 1.00 0.00 O ATOM 1292 OD2 ASP A 89 -0.859 -18.152 1.535 1.00 0.00 O ATOM 0 H ASP A 89 -0.311 -16.161 4.221 1.00 0.00 H new ATOM 0 HA ASP A 89 -0.154 -14.431 1.966 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -2.086 -16.536 3.001 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -2.457 -15.611 1.559 1.00 0.00 H new ATOM 1297 N ARG A 90 -1.714 -13.128 4.319 1.00 0.00 N ATOM 1298 CA ARG A 90 -2.518 -12.014 4.795 1.00 0.00 C ATOM 1299 C ARG A 90 -1.754 -10.969 5.593 1.00 0.00 C ATOM 1300 O ARG A 90 -2.290 -9.877 5.740 1.00 0.00 O ATOM 1301 CB ARG A 90 -3.716 -12.530 5.601 1.00 0.00 C ATOM 1302 CG ARG A 90 -3.324 -13.366 6.824 1.00 0.00 C ATOM 1303 CD ARG A 90 -4.557 -13.756 7.632 1.00 0.00 C ATOM 1304 NE ARG A 90 -5.193 -14.915 6.996 1.00 0.00 N ATOM 1305 CZ ARG A 90 -5.064 -16.181 7.403 1.00 0.00 C ATOM 1306 NH1 ARG A 90 -4.749 -16.475 8.663 1.00 0.00 N ATOM 1307 NH2 ARG A 90 -5.223 -17.139 6.501 1.00 0.00 N ATOM 0 H ARG A 90 -1.096 -13.510 5.035 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.858 -11.498 3.897 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.314 -11.680 5.930 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.349 -13.132 4.949 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -2.796 -14.264 6.502 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -2.636 -12.799 7.452 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.276 -13.996 8.657 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.256 -12.921 7.680 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.779 -14.741 6.180 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -4.601 -15.726 9.340 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -4.656 -17.449 8.951 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.436 -16.898 5.533 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -5.132 -18.117 6.775 1.00 0.00 H new ATOM 1321 N GLN A 91 -0.564 -11.262 6.124 1.00 0.00 N ATOM 1322 CA GLN A 91 0.206 -10.294 6.890 1.00 0.00 C ATOM 1323 C GLN A 91 1.538 -10.128 6.192 1.00 0.00 C ATOM 1324 O GLN A 91 2.112 -11.123 5.748 1.00 0.00 O ATOM 1325 CB GLN A 91 0.400 -10.736 8.350 1.00 0.00 C ATOM 1326 CG GLN A 91 -0.935 -10.829 9.107 1.00 0.00 C ATOM 1327 CD GLN A 91 -0.834 -10.751 10.628 1.00 0.00 C ATOM 1328 OE1 GLN A 91 -1.414 -11.564 11.338 1.00 0.00 O ATOM 1329 NE2 GLN A 91 -0.141 -9.768 11.179 1.00 0.00 N ATOM 0 H GLN A 91 -0.114 -12.173 6.033 1.00 0.00 H new ATOM 0 HA GLN A 91 -0.331 -9.346 6.933 1.00 0.00 H new ATOM 0 HB2 GLN A 91 0.897 -11.706 8.372 1.00 0.00 H new ATOM 0 HB3 GLN A 91 1.056 -10.030 8.858 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -1.585 -10.025 8.762 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -1.420 -11.768 8.840 1.00 0.00 H new ATOM 0 HE21 GLN A 91 0.342 -9.091 10.588 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -0.090 -9.687 12.194 1.00 0.00 H new ATOM 1338 N PHE A 92 2.011 -8.891 6.089 1.00 0.00 N ATOM 1339 CA PHE A 92 3.236 -8.546 5.386 1.00 0.00 C ATOM 1340 C PHE A 92 3.566 -7.075 5.624 1.00 0.00 C ATOM 1341 O PHE A 92 2.718 -6.303 6.085 1.00 0.00 O ATOM 1342 CB PHE A 92 3.086 -8.867 3.891 1.00 0.00 C ATOM 1343 CG PHE A 92 1.787 -8.456 3.223 1.00 0.00 C ATOM 1344 CD1 PHE A 92 1.582 -7.131 2.800 1.00 0.00 C ATOM 1345 CD2 PHE A 92 0.792 -9.424 2.982 1.00 0.00 C ATOM 1346 CE1 PHE A 92 0.401 -6.776 2.128 1.00 0.00 C ATOM 1347 CE2 PHE A 92 -0.407 -9.057 2.356 1.00 0.00 C ATOM 1348 CZ PHE A 92 -0.605 -7.735 1.921 1.00 0.00 C ATOM 0 H PHE A 92 1.542 -8.085 6.501 1.00 0.00 H new ATOM 0 HA PHE A 92 4.066 -9.140 5.769 1.00 0.00 H new ATOM 0 HB2 PHE A 92 3.907 -8.387 3.358 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.207 -9.943 3.762 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.336 -6.383 2.993 1.00 0.00 H new ATOM 0 HD2 PHE A 92 0.953 -10.449 3.280 1.00 0.00 H new ATOM 0 HE1 PHE A 92 0.266 -5.766 1.770 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.183 -9.794 2.207 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.526 -7.458 1.430 1.00 0.00 H new ATOM 1358 N ALA A 93 4.806 -6.704 5.324 1.00 0.00 N ATOM 1359 CA ALA A 93 5.252 -5.330 5.238 1.00 0.00 C ATOM 1360 C ALA A 93 4.924 -4.777 3.851 1.00 0.00 C ATOM 1361 O ALA A 93 4.564 -5.516 2.936 1.00 0.00 O ATOM 1362 CB ALA A 93 6.765 -5.255 5.516 1.00 0.00 C ATOM 0 H ALA A 93 5.547 -7.377 5.129 1.00 0.00 H new ATOM 0 HA ALA A 93 4.737 -4.726 5.985 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.096 -4.219 5.450 1.00 0.00 H new ATOM 0 HB2 ALA A 93 6.971 -5.639 6.515 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.300 -5.854 4.780 1.00 0.00 H new ATOM 1368 N ILE A 94 5.128 -3.472 3.675 1.00 0.00 N ATOM 1369 CA ILE A 94 5.411 -2.855 2.396 1.00 0.00 C ATOM 1370 C ILE A 94 6.477 -1.774 2.585 1.00 0.00 C ATOM 1371 O ILE A 94 6.447 -1.033 3.571 1.00 0.00 O ATOM 1372 CB ILE A 94 4.137 -2.255 1.768 1.00 0.00 C ATOM 1373 CG1 ILE A 94 3.314 -1.411 2.768 1.00 0.00 C ATOM 1374 CG2 ILE A 94 3.271 -3.342 1.114 1.00 0.00 C ATOM 1375 CD1 ILE A 94 2.287 -0.514 2.076 1.00 0.00 C ATOM 0 H ILE A 94 5.098 -2.803 4.445 1.00 0.00 H new ATOM 0 HA ILE A 94 5.782 -3.619 1.712 1.00 0.00 H new ATOM 0 HB ILE A 94 4.472 -1.571 0.988 1.00 0.00 H new ATOM 0 HG12 ILE A 94 2.801 -2.076 3.462 1.00 0.00 H new ATOM 0 HG13 ILE A 94 3.990 -0.794 3.359 1.00 0.00 H new ATOM 0 HG21 ILE A 94 2.381 -2.886 0.681 1.00 0.00 H new ATOM 0 HG22 ILE A 94 3.842 -3.839 0.330 1.00 0.00 H new ATOM 0 HG23 ILE A 94 2.975 -4.073 1.866 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.738 0.056 2.826 1.00 0.00 H new ATOM 0 HD12 ILE A 94 2.799 0.172 1.402 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.591 -1.130 1.507 1.00 0.00 H new ATOM 1387 N ARG A 95 7.373 -1.629 1.605 1.00 0.00 N ATOM 1388 CA ARG A 95 8.233 -0.461 1.431 1.00 0.00 C ATOM 1389 C ARG A 95 7.616 0.412 0.361 1.00 0.00 C ATOM 1390 O ARG A 95 7.299 -0.079 -0.716 1.00 0.00 O ATOM 1391 CB ARG A 95 9.667 -0.868 1.046 1.00 0.00 C ATOM 1392 CG ARG A 95 10.599 0.356 0.897 1.00 0.00 C ATOM 1393 CD ARG A 95 11.747 0.390 1.906 1.00 0.00 C ATOM 1394 NE ARG A 95 12.846 -0.514 1.531 1.00 0.00 N ATOM 1395 CZ ARG A 95 13.731 -0.296 0.551 1.00 0.00 C ATOM 1396 NH1 ARG A 95 13.716 0.836 -0.143 1.00 0.00 N ATOM 1397 NH2 ARG A 95 14.634 -1.224 0.274 1.00 0.00 N ATOM 0 H ARG A 95 7.522 -2.343 0.892 1.00 0.00 H new ATOM 0 HA ARG A 95 8.306 0.085 2.372 1.00 0.00 H new ATOM 0 HB2 ARG A 95 10.069 -1.539 1.805 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.646 -1.424 0.108 1.00 0.00 H new ATOM 0 HG2 ARG A 95 11.014 0.363 -0.111 1.00 0.00 H new ATOM 0 HG3 ARG A 95 10.008 1.265 1.004 1.00 0.00 H new ATOM 0 HD2 ARG A 95 12.128 1.408 1.986 1.00 0.00 H new ATOM 0 HD3 ARG A 95 11.371 0.112 2.891 1.00 0.00 H new ATOM 0 HE ARG A 95 12.941 -1.379 2.063 1.00 0.00 H new ATOM 0 HH11 ARG A 95 13.023 1.554 0.068 1.00 0.00 H new ATOM 0 HH12 ARG A 95 14.397 0.987 -0.887 1.00 0.00 H new ATOM 0 HH21 ARG A 95 14.650 -2.094 0.805 1.00 0.00 H new ATOM 0 HH22 ARG A 95 15.313 -1.068 -0.471 1.00 0.00 H new ATOM 1411 N LEU A 96 7.483 1.699 0.654 1.00 0.00 N ATOM 1412 CA LEU A 96 7.060 2.706 -0.305 1.00 0.00 C ATOM 1413 C LEU A 96 8.313 3.190 -1.010 1.00 0.00 C ATOM 1414 O LEU A 96 9.318 3.425 -0.334 1.00 0.00 O ATOM 1415 CB LEU A 96 6.353 3.850 0.434 1.00 0.00 C ATOM 1416 CG LEU A 96 5.195 3.352 1.314 1.00 0.00 C ATOM 1417 CD1 LEU A 96 4.499 4.508 2.024 1.00 0.00 C ATOM 1418 CD2 LEU A 96 4.187 2.528 0.515 1.00 0.00 C ATOM 0 H LEU A 96 7.670 2.077 1.583 1.00 0.00 H new ATOM 0 HA LEU A 96 6.354 2.306 -1.033 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.076 4.379 1.055 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.971 4.567 -0.293 1.00 0.00 H new ATOM 0 HG LEU A 96 5.631 2.700 2.071 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.685 4.121 2.638 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.216 5.030 2.658 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.098 5.201 1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.385 2.195 1.174 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.769 3.140 -0.285 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.686 1.660 0.085 1.00 0.00 H new ATOM 1430 N VAL A 97 8.284 3.326 -2.334 1.00 0.00 N ATOM 1431 CA VAL A 97 9.446 3.729 -3.105 1.00 0.00 C ATOM 1432 C VAL A 97 9.035 4.773 -4.139 1.00 0.00 C ATOM 1433 O VAL A 97 7.868 4.905 -4.515 1.00 0.00 O ATOM 1434 CB VAL A 97 10.154 2.504 -3.725 1.00 0.00 C ATOM 1435 CG1 VAL A 97 10.925 1.719 -2.658 1.00 0.00 C ATOM 1436 CG2 VAL A 97 9.223 1.503 -4.425 1.00 0.00 C ATOM 0 H VAL A 97 7.451 3.158 -2.898 1.00 0.00 H new ATOM 0 HA VAL A 97 10.181 4.193 -2.447 1.00 0.00 H new ATOM 0 HB VAL A 97 10.812 2.939 -4.477 1.00 0.00 H new ATOM 0 HG11 VAL A 97 11.414 0.862 -3.120 1.00 0.00 H new ATOM 0 HG12 VAL A 97 11.677 2.365 -2.203 1.00 0.00 H new ATOM 0 HG13 VAL A 97 10.233 1.372 -1.891 1.00 0.00 H new ATOM 0 HG21 VAL A 97 9.812 0.679 -4.828 1.00 0.00 H new ATOM 0 HG22 VAL A 97 8.500 1.116 -3.707 1.00 0.00 H new ATOM 0 HG23 VAL A 97 8.696 2.003 -5.237 1.00 0.00 H new ATOM 1446 N GLY A 98 10.013 5.559 -4.577 1.00 0.00 N ATOM 1447 CA GLY A 98 9.765 6.774 -5.309 1.00 0.00 C ATOM 1448 C GLY A 98 9.026 7.728 -4.388 1.00 0.00 C ATOM 1449 O GLY A 98 9.599 8.262 -3.441 1.00 0.00 O ATOM 0 H GLY A 98 11.002 5.361 -4.428 1.00 0.00 H new ATOM 0 HA2 GLY A 98 10.703 7.216 -5.644 1.00 0.00 H new ATOM 0 HA3 GLY A 98 9.173 6.569 -6.201 1.00 0.00 H new ATOM 1453 N ARG A 99 7.757 7.952 -4.684 1.00 0.00 N ATOM 1454 CA ARG A 99 6.898 8.956 -4.081 1.00 0.00 C ATOM 1455 C ARG A 99 5.409 8.640 -4.238 1.00 0.00 C ATOM 1456 O ARG A 99 4.997 7.807 -5.048 1.00 0.00 O ATOM 1457 CB ARG A 99 7.270 10.337 -4.675 1.00 0.00 C ATOM 1458 CG ARG A 99 7.053 10.482 -6.195 1.00 0.00 C ATOM 1459 CD ARG A 99 5.620 10.868 -6.562 1.00 0.00 C ATOM 1460 NE ARG A 99 5.424 12.322 -6.668 1.00 0.00 N ATOM 1461 CZ ARG A 99 5.615 13.080 -7.758 1.00 0.00 C ATOM 1462 NH1 ARG A 99 5.894 12.537 -8.939 1.00 0.00 N ATOM 1463 NH2 ARG A 99 5.514 14.400 -7.664 1.00 0.00 N ATOM 0 H ARG A 99 7.270 7.405 -5.394 1.00 0.00 H new ATOM 0 HA ARG A 99 7.067 8.963 -3.004 1.00 0.00 H new ATOM 0 HB2 ARG A 99 6.684 11.102 -4.167 1.00 0.00 H new ATOM 0 HB3 ARG A 99 8.318 10.539 -4.454 1.00 0.00 H new ATOM 0 HG2 ARG A 99 7.737 11.237 -6.583 1.00 0.00 H new ATOM 0 HG3 ARG A 99 7.306 9.541 -6.684 1.00 0.00 H new ATOM 0 HD2 ARG A 99 5.356 10.402 -7.511 1.00 0.00 H new ATOM 0 HD3 ARG A 99 4.939 10.469 -5.810 1.00 0.00 H new ATOM 0 HE ARG A 99 5.110 12.804 -5.825 1.00 0.00 H new ATOM 0 HH11 ARG A 99 5.967 11.524 -9.030 1.00 0.00 H new ATOM 0 HH12 ARG A 99 6.035 13.134 -9.754 1.00 0.00 H new ATOM 0 HH21 ARG A 99 5.292 14.832 -6.767 1.00 0.00 H new ATOM 0 HH22 ARG A 99 5.658 14.983 -8.489 1.00 0.00 H new ATOM 1477 N VAL A 100 4.641 9.384 -3.459 1.00 0.00 N ATOM 1478 CA VAL A 100 3.253 9.815 -3.547 1.00 0.00 C ATOM 1479 C VAL A 100 3.158 11.205 -4.145 1.00 0.00 C ATOM 1480 O VAL A 100 4.049 12.034 -3.944 1.00 0.00 O ATOM 1481 CB VAL A 100 2.524 9.684 -2.169 1.00 0.00 C ATOM 1482 CG1 VAL A 100 3.446 10.071 -1.042 1.00 0.00 C ATOM 1483 CG2 VAL A 100 1.104 10.257 -2.138 1.00 0.00 C ATOM 0 H VAL A 100 5.051 9.763 -2.605 1.00 0.00 H new ATOM 0 HA VAL A 100 2.725 9.147 -4.227 1.00 0.00 H new ATOM 0 HB VAL A 100 2.302 8.630 -2.003 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.920 9.973 -0.092 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.317 9.416 -1.044 1.00 0.00 H new ATOM 0 HG13 VAL A 100 3.768 11.104 -1.174 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.678 10.121 -1.144 1.00 0.00 H new ATOM 0 HG22 VAL A 100 1.135 11.320 -2.377 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.486 9.738 -2.871 1.00 0.00 H new ATOM 1493 N ARG A 101 2.060 11.434 -4.862 1.00 0.00 N ATOM 1494 CA ARG A 101 1.493 12.723 -5.232 1.00 0.00 C ATOM 1495 C ARG A 101 -0.027 12.622 -5.054 1.00 0.00 C ATOM 1496 O ARG A 101 -0.545 11.513 -4.878 1.00 0.00 O ATOM 1497 CB ARG A 101 1.842 13.088 -6.687 1.00 0.00 C ATOM 1498 CG ARG A 101 1.560 11.953 -7.691 1.00 0.00 C ATOM 1499 CD ARG A 101 1.088 12.471 -9.050 1.00 0.00 C ATOM 1500 NE ARG A 101 2.191 13.002 -9.859 1.00 0.00 N ATOM 1501 CZ ARG A 101 2.908 12.329 -10.758 1.00 0.00 C ATOM 1502 NH1 ARG A 101 2.711 11.031 -10.962 1.00 0.00 N ATOM 1503 NH2 ARG A 101 3.826 12.981 -11.455 1.00 0.00 N ATOM 0 H ARG A 101 1.503 10.661 -5.226 1.00 0.00 H new ATOM 0 HA ARG A 101 1.906 13.509 -4.600 1.00 0.00 H new ATOM 0 HB2 ARG A 101 1.272 13.970 -6.979 1.00 0.00 H new ATOM 0 HB3 ARG A 101 2.897 13.358 -6.742 1.00 0.00 H new ATOM 0 HG2 ARG A 101 2.465 11.361 -7.827 1.00 0.00 H new ATOM 0 HG3 ARG A 101 0.802 11.287 -7.277 1.00 0.00 H new ATOM 0 HD2 ARG A 101 0.598 11.663 -9.594 1.00 0.00 H new ATOM 0 HD3 ARG A 101 0.343 13.252 -8.899 1.00 0.00 H new ATOM 0 HE ARG A 101 2.433 13.983 -9.719 1.00 0.00 H new ATOM 0 HH11 ARG A 101 2.001 10.533 -10.426 1.00 0.00 H new ATOM 0 HH12 ARG A 101 3.270 10.533 -11.655 1.00 0.00 H new ATOM 0 HH21 ARG A 101 3.972 13.978 -11.298 1.00 0.00 H new ATOM 0 HH22 ARG A 101 4.387 12.486 -12.149 1.00 0.00 H new