USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 604 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 7 SER OG : rot -155:sc= 2.11 USER MOD Set 1.2: A 71 LYS NZ :NH3+ -177:sc= 1.02 (180deg=0) USER MOD Set 2.1: A 55 ASN : amide:sc= 2.04 K(o=2.6,f=-9.7!) USER MOD Set 2.2: A 62 TYR OH : rot 30:sc= 0.552 USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.0063) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot -110:sc=-0.00667 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -129:sc= 0.297 (180deg=-0.102) USER MOD Single : A 18 ASN : amide:sc= -0.028 X(o=-0.028,f=-0.028) USER MOD Single : A 19 TYR OH : rot 30:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0389 USER MOD Single : A 28 HIS : no HD1:sc= -2.39! C(o=-2.4!,f=-2.8!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -178:sc= 2.21 (180deg=2.06) USER MOD Single : A 36 LYS NZ :NH3+ 169:sc= -0.0191 (180deg=-0.179) USER MOD Single : A 37 GLN : amide:sc=-0.00597 K(o=-0.006,f=-0.77) USER MOD Single : A 39 MET CE :methyl -158:sc= -0.853 (180deg=-1.86!) USER MOD Single : A 43 LYS NZ :NH3+ 169:sc= 0.809 (180deg=0.64) USER MOD Single : A 45 LYS NZ :NH3+ 170:sc= -0.0194 (180deg=-0.162) USER MOD Single : A 49 CYS SG : rot 54:sc= 1.19 USER MOD Single : A 52 GLN : amide:sc= 0.948 K(o=0.95,f=-7.1!) USER MOD Single : A 54 THR OG1 : rot 100:sc= -0.024 USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0701 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0.98 K(o=0.98,f=-0.57) USER MOD Single : A 72 ASN : amide:sc= 0 K(o=0,f=-5.2!) USER MOD Single : A 73 SER OG : rot 180:sc= -0.754 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 78 N SER A 7 -13.988 3.676 -2.834 1.00 0.00 N ATOM 79 CA SER A 7 -13.179 2.583 -2.472 1.00 0.00 C ATOM 80 C SER A 7 -11.899 3.086 -1.877 1.00 0.00 C ATOM 81 O SER A 7 -11.187 3.871 -2.498 1.00 0.00 O ATOM 82 CB SER A 7 -12.924 1.707 -3.681 1.00 0.00 C ATOM 83 OG SER A 7 -14.149 1.182 -4.185 1.00 0.00 O ATOM 0 HA SER A 7 -13.688 1.976 -1.723 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.423 2.285 -4.457 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.255 0.890 -3.411 1.00 0.00 H new ATOM 0 HG SER A 7 -13.973 0.348 -4.669 1.00 0.00 H new ATOM 89 N CYS A 8 -11.626 2.684 -0.667 1.00 0.00 N ATOM 90 CA CYS A 8 -10.423 3.087 -0.010 1.00 0.00 C ATOM 91 C CYS A 8 -9.939 2.011 0.931 1.00 0.00 C ATOM 92 O CYS A 8 -10.745 1.327 1.573 1.00 0.00 O ATOM 93 CB CYS A 8 -10.601 4.441 0.706 1.00 0.00 C ATOM 94 SG CYS A 8 -11.977 4.523 1.873 1.00 0.00 S ATOM 0 H CYS A 8 -12.228 2.073 -0.116 1.00 0.00 H new ATOM 0 HA CYS A 8 -9.654 3.228 -0.769 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -9.680 4.675 1.239 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -10.739 5.216 -0.048 1.00 0.00 H new ATOM 0 HG CYS A 8 -12.021 5.706 2.410 1.00 0.00 H new ATOM 100 N VAL A 9 -8.647 1.858 1.011 1.00 0.00 N ATOM 101 CA VAL A 9 -8.046 0.864 1.874 1.00 0.00 C ATOM 102 C VAL A 9 -7.443 1.574 3.055 1.00 0.00 C ATOM 103 O VAL A 9 -6.770 2.605 2.886 1.00 0.00 O ATOM 104 CB VAL A 9 -6.895 0.052 1.167 1.00 0.00 C ATOM 105 CG1 VAL A 9 -6.235 -0.921 2.130 1.00 0.00 C ATOM 106 CG2 VAL A 9 -7.386 -0.708 -0.041 1.00 0.00 C ATOM 0 H VAL A 9 -7.976 2.415 0.483 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.829 0.160 2.158 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.165 0.791 0.836 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.445 -1.466 1.612 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.807 -0.370 2.967 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.979 -1.626 2.502 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.555 -1.251 -0.492 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.158 -1.414 0.263 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.800 -0.009 -0.768 1.00 0.00 H new ATOM 116 N HIS A 10 -7.732 1.070 4.231 1.00 0.00 N ATOM 117 CA HIS A 10 -7.141 1.572 5.438 1.00 0.00 C ATOM 118 C HIS A 10 -5.745 1.040 5.548 1.00 0.00 C ATOM 119 O HIS A 10 -5.538 -0.168 5.691 1.00 0.00 O ATOM 120 CB HIS A 10 -7.964 1.188 6.675 1.00 0.00 C ATOM 121 CG HIS A 10 -9.196 2.022 6.879 1.00 0.00 C ATOM 122 ND1 HIS A 10 -9.303 2.998 7.842 1.00 0.00 N ATOM 123 CD2 HIS A 10 -10.386 2.011 6.228 1.00 0.00 C ATOM 124 CE1 HIS A 10 -10.513 3.543 7.757 1.00 0.00 C ATOM 125 NE2 HIS A 10 -11.221 2.977 6.787 1.00 0.00 N ATOM 0 H HIS A 10 -8.385 0.299 4.373 1.00 0.00 H new ATOM 0 HA HIS A 10 -7.122 2.661 5.394 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -8.257 0.141 6.592 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -7.331 1.272 7.559 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -10.645 1.358 5.408 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -10.872 4.339 8.392 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -12.176 3.202 6.509 1.00 0.00 H new ATOM 133 N TYR A 11 -4.800 1.906 5.435 1.00 0.00 N ATOM 134 CA TYR A 11 -3.426 1.519 5.491 1.00 0.00 C ATOM 135 C TYR A 11 -2.704 2.437 6.428 1.00 0.00 C ATOM 136 O TYR A 11 -3.012 3.620 6.475 1.00 0.00 O ATOM 137 CB TYR A 11 -2.781 1.587 4.083 1.00 0.00 C ATOM 138 CG TYR A 11 -2.549 3.001 3.525 1.00 0.00 C ATOM 139 CD1 TYR A 11 -3.534 3.676 2.827 1.00 0.00 C ATOM 140 CD2 TYR A 11 -1.320 3.649 3.701 1.00 0.00 C ATOM 141 CE1 TYR A 11 -3.306 4.944 2.325 1.00 0.00 C ATOM 142 CE2 TYR A 11 -1.093 4.907 3.206 1.00 0.00 C ATOM 143 CZ TYR A 11 -2.086 5.548 2.517 1.00 0.00 C ATOM 144 OH TYR A 11 -1.858 6.802 2.014 1.00 0.00 O ATOM 0 H TYR A 11 -4.953 2.905 5.301 1.00 0.00 H new ATOM 0 HA TYR A 11 -3.356 0.491 5.847 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -1.823 1.068 4.116 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -3.416 1.040 3.386 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -4.494 3.206 2.672 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.531 3.145 4.240 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -4.085 5.459 1.783 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -0.138 5.388 3.359 1.00 0.00 H new ATOM 0 HH TYR A 11 -0.947 7.084 2.239 1.00 0.00 H new ATOM 154 N LYS A 12 -1.791 1.939 7.203 1.00 0.00 N ATOM 155 CA LYS A 12 -1.009 2.847 7.978 1.00 0.00 C ATOM 156 C LYS A 12 0.429 2.670 7.607 1.00 0.00 C ATOM 157 O LYS A 12 0.855 1.563 7.301 1.00 0.00 O ATOM 158 CB LYS A 12 -1.218 2.701 9.500 1.00 0.00 C ATOM 159 CG LYS A 12 -0.612 1.468 10.137 1.00 0.00 C ATOM 160 CD LYS A 12 -0.715 1.559 11.642 1.00 0.00 C ATOM 161 CE LYS A 12 0.027 0.433 12.322 1.00 0.00 C ATOM 162 NZ LYS A 12 -0.003 0.572 13.791 1.00 0.00 N ATOM 0 H LYS A 12 -1.575 0.948 7.314 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.340 3.859 7.745 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.802 3.581 9.990 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -2.289 2.701 9.701 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -1.127 0.575 9.782 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.433 1.372 9.841 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -0.312 2.515 11.977 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -1.764 1.534 11.937 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.417 -0.521 12.037 1.00 0.00 H new ATOM 0 HE3 LYS A 12 1.061 0.418 11.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 0.516 -0.218 14.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 0.443 1.471 14.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.989 0.561 14.121 1.00 0.00 H new ATOM 176 N PHE A 13 1.150 3.741 7.562 1.00 0.00 N ATOM 177 CA PHE A 13 2.555 3.675 7.281 1.00 0.00 C ATOM 178 C PHE A 13 3.238 3.389 8.607 1.00 0.00 C ATOM 179 O PHE A 13 2.674 3.726 9.666 1.00 0.00 O ATOM 180 CB PHE A 13 3.039 5.011 6.711 1.00 0.00 C ATOM 181 CG PHE A 13 3.875 4.903 5.484 1.00 0.00 C ATOM 182 CD1 PHE A 13 5.146 4.360 5.529 1.00 0.00 C ATOM 183 CD2 PHE A 13 3.375 5.336 4.274 1.00 0.00 C ATOM 184 CE1 PHE A 13 5.905 4.254 4.386 1.00 0.00 C ATOM 185 CE2 PHE A 13 4.122 5.231 3.127 1.00 0.00 C ATOM 186 CZ PHE A 13 5.393 4.689 3.182 1.00 0.00 C ATOM 0 H PHE A 13 0.790 4.683 7.717 1.00 0.00 H new ATOM 0 HA PHE A 13 2.781 2.903 6.545 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.170 5.630 6.488 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.612 5.531 7.479 1.00 0.00 H new ATOM 0 HD1 PHE A 13 5.547 4.016 6.471 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.384 5.763 4.228 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.898 3.832 4.432 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.718 5.571 2.185 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.984 4.606 2.282 1.00 0.00 H new ATOM 196 N SER A 14 4.433 2.841 8.564 1.00 0.00 N ATOM 197 CA SER A 14 5.165 2.416 9.759 1.00 0.00 C ATOM 198 C SER A 14 5.341 3.553 10.780 1.00 0.00 C ATOM 199 O SER A 14 5.384 3.321 11.985 1.00 0.00 O ATOM 200 CB SER A 14 6.530 1.920 9.327 1.00 0.00 C ATOM 201 OG SER A 14 6.408 1.045 8.218 1.00 0.00 O ATOM 0 H SER A 14 4.937 2.672 7.694 1.00 0.00 H new ATOM 0 HA SER A 14 4.589 1.631 10.248 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.165 2.766 9.063 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.015 1.403 10.155 1.00 0.00 H new ATOM 0 HG SER A 14 6.621 0.130 8.498 1.00 0.00 H new ATOM 207 N SER A 15 5.433 4.769 10.304 1.00 0.00 N ATOM 208 CA SER A 15 5.601 5.889 11.181 1.00 0.00 C ATOM 209 C SER A 15 4.474 6.915 10.990 1.00 0.00 C ATOM 210 O SER A 15 4.569 8.056 11.442 1.00 0.00 O ATOM 211 CB SER A 15 6.983 6.488 10.948 1.00 0.00 C ATOM 212 OG SER A 15 7.973 5.472 11.118 1.00 0.00 O ATOM 0 H SER A 15 5.394 5.004 9.312 1.00 0.00 H new ATOM 0 HA SER A 15 5.536 5.563 12.219 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.045 6.908 9.944 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.160 7.305 11.647 1.00 0.00 H new ATOM 0 HG SER A 15 8.863 5.854 10.967 1.00 0.00 H new ATOM 218 N LYS A 16 3.385 6.485 10.348 1.00 0.00 N ATOM 219 CA LYS A 16 2.229 7.361 10.160 1.00 0.00 C ATOM 220 C LYS A 16 1.376 7.228 11.407 1.00 0.00 C ATOM 221 O LYS A 16 0.650 8.149 11.788 1.00 0.00 O ATOM 222 CB LYS A 16 1.395 6.921 8.941 1.00 0.00 C ATOM 223 CG LYS A 16 0.571 8.025 8.262 1.00 0.00 C ATOM 224 CD LYS A 16 1.487 8.983 7.490 1.00 0.00 C ATOM 225 CE LYS A 16 0.725 10.106 6.774 1.00 0.00 C ATOM 226 NZ LYS A 16 -0.237 9.620 5.749 1.00 0.00 N ATOM 0 H LYS A 16 3.281 5.549 9.955 1.00 0.00 H new ATOM 0 HA LYS A 16 2.559 8.386 9.992 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.068 6.489 8.201 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.716 6.128 9.256 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.154 7.579 7.582 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.006 8.578 9.012 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.205 9.424 8.181 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.059 8.415 6.756 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.185 10.696 7.515 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.443 10.773 6.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.073 10.123 4.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.102 8.599 5.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.209 9.798 6.073 1.00 0.00 H new ATOM 240 N LEU A 17 1.471 6.031 12.017 1.00 0.00 N ATOM 241 CA LEU A 17 0.800 5.639 13.266 1.00 0.00 C ATOM 242 C LEU A 17 -0.688 5.390 13.065 1.00 0.00 C ATOM 243 O LEU A 17 -1.214 4.330 13.413 1.00 0.00 O ATOM 244 CB LEU A 17 1.050 6.652 14.395 1.00 0.00 C ATOM 245 CG LEU A 17 0.369 6.351 15.727 1.00 0.00 C ATOM 246 CD1 LEU A 17 0.837 5.020 16.288 1.00 0.00 C ATOM 247 CD2 LEU A 17 0.615 7.471 16.716 1.00 0.00 C ATOM 0 H LEU A 17 2.044 5.279 11.633 1.00 0.00 H new ATOM 0 HA LEU A 17 1.246 4.693 13.572 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.125 6.718 14.566 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.721 7.634 14.055 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.705 6.280 15.552 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.337 4.829 17.237 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.596 4.223 15.584 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.915 5.050 16.446 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.122 7.238 17.660 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.687 7.579 16.884 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.214 8.403 16.317 1.00 0.00 H new ATOM 259 N ASN A 18 -1.339 6.340 12.497 1.00 0.00 N ATOM 260 CA ASN A 18 -2.753 6.253 12.264 1.00 0.00 C ATOM 261 C ASN A 18 -3.018 5.836 10.841 1.00 0.00 C ATOM 262 O ASN A 18 -2.185 6.071 9.949 1.00 0.00 O ATOM 263 CB ASN A 18 -3.481 7.564 12.609 1.00 0.00 C ATOM 264 CG ASN A 18 -2.959 8.789 11.884 1.00 0.00 C ATOM 265 OD1 ASN A 18 -3.379 9.100 10.770 1.00 0.00 O ATOM 266 ND2 ASN A 18 -2.093 9.532 12.528 1.00 0.00 N ATOM 0 H ASN A 18 -0.912 7.209 12.175 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.155 5.492 12.932 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.540 7.447 12.379 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.405 7.734 13.683 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.748 10.395 12.107 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.763 9.248 13.450 1.00 0.00 H new ATOM 273 N TYR A 19 -4.142 5.194 10.626 1.00 0.00 N ATOM 274 CA TYR A 19 -4.488 4.707 9.317 1.00 0.00 C ATOM 275 C TYR A 19 -4.928 5.809 8.398 1.00 0.00 C ATOM 276 O TYR A 19 -5.593 6.774 8.803 1.00 0.00 O ATOM 277 CB TYR A 19 -5.542 3.610 9.366 1.00 0.00 C ATOM 278 CG TYR A 19 -5.057 2.290 9.938 1.00 0.00 C ATOM 279 CD1 TYR A 19 -4.969 2.081 11.308 1.00 0.00 C ATOM 280 CD2 TYR A 19 -4.692 1.251 9.098 1.00 0.00 C ATOM 281 CE1 TYR A 19 -4.530 0.875 11.819 1.00 0.00 C ATOM 282 CE2 TYR A 19 -4.255 0.043 9.600 1.00 0.00 C ATOM 283 CZ TYR A 19 -4.175 -0.139 10.960 1.00 0.00 C ATOM 284 OH TYR A 19 -3.747 -1.346 11.462 1.00 0.00 O ATOM 0 H TYR A 19 -4.835 4.997 11.348 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.573 4.275 8.912 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -6.385 3.961 9.962 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.915 3.438 8.356 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.248 2.875 11.985 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.751 1.390 8.029 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.466 0.729 12.887 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -3.977 -0.756 8.928 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.175 -1.510 12.328 1.00 0.00 H new ATOM 294 N ASP A 20 -4.547 5.668 7.185 1.00 0.00 N ATOM 295 CA ASP A 20 -4.862 6.570 6.127 1.00 0.00 C ATOM 296 C ASP A 20 -5.728 5.782 5.159 1.00 0.00 C ATOM 297 O ASP A 20 -5.964 4.586 5.384 1.00 0.00 O ATOM 298 CB ASP A 20 -3.576 7.034 5.446 1.00 0.00 C ATOM 299 CG ASP A 20 -3.714 8.368 4.725 1.00 0.00 C ATOM 300 OD1 ASP A 20 -4.542 8.501 3.785 1.00 0.00 O ATOM 301 OD2 ASP A 20 -3.002 9.328 5.106 1.00 0.00 O ATOM 0 H ASP A 20 -3.976 4.880 6.880 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.380 7.460 6.485 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.788 7.115 6.194 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.260 6.275 4.731 1.00 0.00 H new ATOM 306 N THR A 21 -6.174 6.392 4.108 1.00 0.00 N ATOM 307 CA THR A 21 -7.086 5.759 3.211 1.00 0.00 C ATOM 308 C THR A 21 -6.743 6.103 1.792 1.00 0.00 C ATOM 309 O THR A 21 -6.745 7.280 1.405 1.00 0.00 O ATOM 310 CB THR A 21 -8.552 6.128 3.534 1.00 0.00 C ATOM 311 OG1 THR A 21 -8.609 7.451 4.103 1.00 0.00 O ATOM 312 CG2 THR A 21 -9.184 5.118 4.480 1.00 0.00 C ATOM 0 H THR A 21 -5.916 7.344 3.847 1.00 0.00 H new ATOM 0 HA THR A 21 -6.991 4.681 3.340 1.00 0.00 H new ATOM 0 HB THR A 21 -9.120 6.110 2.604 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.540 7.681 4.304 1.00 0.00 H new ATOM 0 HG21 THR A 21 -10.214 5.408 4.686 1.00 0.00 H new ATOM 0 HG22 THR A 21 -9.170 4.130 4.020 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.621 5.092 5.413 1.00 0.00 H new ATOM 320 N VAL A 22 -6.401 5.108 1.033 1.00 0.00 N ATOM 321 CA VAL A 22 -6.059 5.323 -0.337 1.00 0.00 C ATOM 322 C VAL A 22 -7.287 5.079 -1.206 1.00 0.00 C ATOM 323 O VAL A 22 -7.878 3.999 -1.177 1.00 0.00 O ATOM 324 CB VAL A 22 -4.835 4.458 -0.787 1.00 0.00 C ATOM 325 CG1 VAL A 22 -5.101 2.952 -0.774 1.00 0.00 C ATOM 326 CG2 VAL A 22 -4.308 4.933 -2.114 1.00 0.00 C ATOM 0 H VAL A 22 -6.352 4.137 1.341 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.743 6.359 -0.459 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.059 4.607 -0.036 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.206 2.422 -1.098 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.363 2.638 0.236 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.924 2.722 -1.451 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.457 4.318 -2.409 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.092 4.852 -2.867 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.992 5.973 -2.029 1.00 0.00 H new ATOM 336 N THR A 23 -7.707 6.098 -1.901 1.00 0.00 N ATOM 337 CA THR A 23 -8.879 6.029 -2.721 1.00 0.00 C ATOM 338 C THR A 23 -8.572 5.480 -4.110 1.00 0.00 C ATOM 339 O THR A 23 -7.654 5.954 -4.796 1.00 0.00 O ATOM 340 CB THR A 23 -9.552 7.411 -2.802 1.00 0.00 C ATOM 341 OG1 THR A 23 -8.552 8.422 -3.039 1.00 0.00 O ATOM 342 CG2 THR A 23 -10.298 7.723 -1.513 1.00 0.00 C ATOM 0 H THR A 23 -7.241 7.005 -1.913 1.00 0.00 H new ATOM 0 HA THR A 23 -9.574 5.330 -2.255 1.00 0.00 H new ATOM 0 HB THR A 23 -10.268 7.401 -3.624 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.982 9.301 -3.092 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.766 8.704 -1.592 1.00 0.00 H new ATOM 0 HG22 THR A 23 -11.065 6.967 -1.345 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.598 7.721 -0.678 1.00 0.00 H new ATOM 350 N PHE A 24 -9.313 4.473 -4.493 1.00 0.00 N ATOM 351 CA PHE A 24 -9.176 3.824 -5.771 1.00 0.00 C ATOM 352 C PHE A 24 -10.571 3.464 -6.255 1.00 0.00 C ATOM 353 O PHE A 24 -11.550 3.711 -5.543 1.00 0.00 O ATOM 354 CB PHE A 24 -8.308 2.548 -5.630 1.00 0.00 C ATOM 355 CG PHE A 24 -8.896 1.477 -4.721 1.00 0.00 C ATOM 356 CD1 PHE A 24 -8.813 1.584 -3.339 1.00 0.00 C ATOM 357 CD2 PHE A 24 -9.538 0.369 -5.255 1.00 0.00 C ATOM 358 CE1 PHE A 24 -9.354 0.615 -2.534 1.00 0.00 C ATOM 359 CE2 PHE A 24 -10.073 -0.596 -4.441 1.00 0.00 C ATOM 360 CZ PHE A 24 -9.979 -0.470 -3.086 1.00 0.00 C ATOM 0 H PHE A 24 -10.047 4.071 -3.910 1.00 0.00 H new ATOM 0 HA PHE A 24 -8.685 4.484 -6.486 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -8.152 2.120 -6.620 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.328 2.832 -5.248 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -8.319 2.436 -2.895 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -9.617 0.265 -6.327 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -9.287 0.708 -1.460 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -10.568 -1.454 -4.872 1.00 0.00 H new ATOM 0 HZ PHE A 24 -10.400 -1.231 -2.445 1.00 0.00 H new ATOM 370 N ASP A 25 -10.687 2.929 -7.436 1.00 0.00 N ATOM 371 CA ASP A 25 -11.935 2.448 -7.912 1.00 0.00 C ATOM 372 C ASP A 25 -11.842 0.943 -8.083 1.00 0.00 C ATOM 373 O ASP A 25 -10.768 0.413 -8.409 1.00 0.00 O ATOM 374 CB ASP A 25 -12.343 3.147 -9.205 1.00 0.00 C ATOM 375 CG ASP A 25 -11.471 2.855 -10.402 1.00 0.00 C ATOM 376 OD1 ASP A 25 -10.336 3.378 -10.480 1.00 0.00 O ATOM 377 OD2 ASP A 25 -11.935 2.166 -11.327 1.00 0.00 O ATOM 0 H ASP A 25 -9.913 2.817 -8.091 1.00 0.00 H new ATOM 0 HA ASP A 25 -12.716 2.674 -7.186 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -13.367 2.862 -9.445 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.344 4.223 -9.032 1.00 0.00 H new ATOM 382 N GLY A 26 -12.923 0.263 -7.812 1.00 0.00 N ATOM 383 CA GLY A 26 -12.939 -1.182 -7.837 1.00 0.00 C ATOM 384 C GLY A 26 -13.106 -1.711 -6.430 1.00 0.00 C ATOM 385 O GLY A 26 -13.231 -0.923 -5.494 1.00 0.00 O ATOM 0 H GLY A 26 -13.817 0.689 -7.568 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -13.754 -1.536 -8.469 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.013 -1.559 -8.271 1.00 0.00 H new ATOM 389 N LEU A 27 -13.125 -3.008 -6.259 1.00 0.00 N ATOM 390 CA LEU A 27 -13.236 -3.579 -4.924 1.00 0.00 C ATOM 391 C LEU A 27 -11.848 -3.715 -4.326 1.00 0.00 C ATOM 392 O LEU A 27 -11.637 -3.554 -3.111 1.00 0.00 O ATOM 393 CB LEU A 27 -13.919 -4.954 -4.960 1.00 0.00 C ATOM 394 CG LEU A 27 -14.178 -5.603 -3.592 1.00 0.00 C ATOM 395 CD1 LEU A 27 -15.189 -4.797 -2.787 1.00 0.00 C ATOM 396 CD2 LEU A 27 -14.637 -7.035 -3.754 1.00 0.00 C ATOM 0 H LEU A 27 -13.066 -3.691 -7.014 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.847 -2.915 -4.313 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.871 -4.853 -5.480 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.303 -5.630 -5.552 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.238 -5.609 -3.040 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.354 -5.279 -1.823 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -14.807 -3.789 -2.628 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.131 -4.746 -3.333 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.814 -7.474 -2.772 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.560 -7.058 -4.333 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.868 -7.607 -4.274 1.00 0.00 H new ATOM 408 N HIS A 28 -10.909 -3.982 -5.185 1.00 0.00 N ATOM 409 CA HIS A 28 -9.532 -4.162 -4.805 1.00 0.00 C ATOM 410 C HIS A 28 -8.600 -3.501 -5.752 1.00 0.00 C ATOM 411 O HIS A 28 -8.969 -3.185 -6.888 1.00 0.00 O ATOM 412 CB HIS A 28 -9.150 -5.635 -4.590 1.00 0.00 C ATOM 413 CG HIS A 28 -9.719 -6.614 -5.562 1.00 0.00 C ATOM 414 ND1 HIS A 28 -10.364 -7.754 -5.164 1.00 0.00 N ATOM 415 CD2 HIS A 28 -9.723 -6.629 -6.916 1.00 0.00 C ATOM 416 CE1 HIS A 28 -10.747 -8.414 -6.253 1.00 0.00 C ATOM 417 NE2 HIS A 28 -10.382 -7.776 -7.353 1.00 0.00 N ATOM 0 H HIS A 28 -11.077 -4.083 -6.186 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.431 -3.670 -3.838 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -8.063 -5.715 -4.621 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.463 -5.927 -3.588 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.286 -5.874 -7.553 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -11.286 -9.350 -6.241 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -10.548 -8.063 -8.318 1.00 0.00 H new ATOM 425 N ILE A 29 -7.419 -3.269 -5.279 1.00 0.00 N ATOM 426 CA ILE A 29 -6.406 -2.632 -6.038 1.00 0.00 C ATOM 427 C ILE A 29 -5.122 -3.455 -6.014 1.00 0.00 C ATOM 428 O ILE A 29 -4.678 -3.906 -4.955 1.00 0.00 O ATOM 429 CB ILE A 29 -6.170 -1.165 -5.553 1.00 0.00 C ATOM 430 CG1 ILE A 29 -5.004 -0.536 -6.293 1.00 0.00 C ATOM 431 CG2 ILE A 29 -5.958 -1.097 -4.041 1.00 0.00 C ATOM 432 CD1 ILE A 29 -4.904 0.967 -6.138 1.00 0.00 C ATOM 0 H ILE A 29 -7.131 -3.524 -4.334 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.740 -2.571 -7.074 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.070 -0.594 -5.781 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.078 -0.988 -5.939 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.090 -0.775 -7.353 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.797 -0.061 -3.742 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.839 -1.489 -3.532 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -5.087 -1.692 -3.769 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.044 1.334 -6.698 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.812 1.433 -6.520 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.784 1.217 -5.084 1.00 0.00 H new ATOM 444 N SER A 30 -4.595 -3.714 -7.181 1.00 0.00 N ATOM 445 CA SER A 30 -3.355 -4.424 -7.343 1.00 0.00 C ATOM 446 C SER A 30 -2.204 -3.636 -6.703 1.00 0.00 C ATOM 447 O SER A 30 -2.215 -2.405 -6.690 1.00 0.00 O ATOM 448 CB SER A 30 -3.111 -4.632 -8.823 1.00 0.00 C ATOM 449 OG SER A 30 -4.246 -5.251 -9.419 1.00 0.00 O ATOM 0 H SER A 30 -5.024 -3.432 -8.062 1.00 0.00 H new ATOM 0 HA SER A 30 -3.409 -5.392 -6.845 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.912 -3.675 -9.306 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.228 -5.253 -8.971 1.00 0.00 H new ATOM 0 HG SER A 30 -4.083 -5.381 -10.376 1.00 0.00 H new ATOM 455 N LEU A 31 -1.240 -4.351 -6.179 1.00 0.00 N ATOM 456 CA LEU A 31 -0.127 -3.793 -5.451 1.00 0.00 C ATOM 457 C LEU A 31 0.678 -2.809 -6.277 1.00 0.00 C ATOM 458 O LEU A 31 1.073 -1.769 -5.766 1.00 0.00 O ATOM 459 CB LEU A 31 0.771 -4.900 -4.905 1.00 0.00 C ATOM 460 CG LEU A 31 1.927 -4.432 -4.043 1.00 0.00 C ATOM 461 CD1 LEU A 31 1.409 -3.697 -2.835 1.00 0.00 C ATOM 462 CD2 LEU A 31 2.791 -5.586 -3.614 1.00 0.00 C ATOM 0 H LEU A 31 -1.207 -5.368 -6.249 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.547 -3.234 -4.615 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.159 -5.587 -4.321 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.172 -5.467 -5.745 1.00 0.00 H new ATOM 0 HG LEU A 31 2.539 -3.756 -4.640 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.248 -3.366 -2.223 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.830 -2.831 -3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.773 -4.361 -2.250 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.611 -5.217 -2.997 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.194 -6.293 -3.039 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.195 -6.085 -4.495 1.00 0.00 H new ATOM 474 N CYS A 32 0.925 -3.136 -7.538 1.00 0.00 N ATOM 475 CA CYS A 32 1.638 -2.226 -8.426 1.00 0.00 C ATOM 476 C CYS A 32 0.894 -0.888 -8.469 1.00 0.00 C ATOM 477 O CYS A 32 1.481 0.170 -8.281 1.00 0.00 O ATOM 478 CB CYS A 32 1.726 -2.816 -9.839 1.00 0.00 C ATOM 479 SG CYS A 32 2.816 -1.909 -10.963 1.00 0.00 S ATOM 0 H CYS A 32 0.645 -4.018 -7.968 1.00 0.00 H new ATOM 0 HA CYS A 32 2.650 -2.077 -8.051 1.00 0.00 H new ATOM 0 HB2 CYS A 32 2.074 -3.846 -9.768 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.725 -2.847 -10.269 1.00 0.00 H new ATOM 0 HG CYS A 32 2.820 -2.490 -12.126 1.00 0.00 H new ATOM 485 N ASP A 33 -0.410 -0.971 -8.612 1.00 0.00 N ATOM 486 CA ASP A 33 -1.271 0.196 -8.658 1.00 0.00 C ATOM 487 C ASP A 33 -1.260 0.927 -7.335 1.00 0.00 C ATOM 488 O ASP A 33 -1.096 2.148 -7.297 1.00 0.00 O ATOM 489 CB ASP A 33 -2.707 -0.207 -9.008 1.00 0.00 C ATOM 490 CG ASP A 33 -2.884 -0.620 -10.434 1.00 0.00 C ATOM 491 OD1 ASP A 33 -3.156 0.250 -11.286 1.00 0.00 O ATOM 492 OD2 ASP A 33 -2.781 -1.822 -10.738 1.00 0.00 O ATOM 0 H ASP A 33 -0.909 -1.856 -8.701 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.887 0.861 -9.431 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.013 -1.029 -8.360 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.372 0.630 -8.796 1.00 0.00 H new ATOM 497 N LEU A 34 -1.383 0.169 -6.262 1.00 0.00 N ATOM 498 CA LEU A 34 -1.466 0.709 -4.908 1.00 0.00 C ATOM 499 C LEU A 34 -0.187 1.424 -4.503 1.00 0.00 C ATOM 500 O LEU A 34 -0.235 2.552 -3.995 1.00 0.00 O ATOM 501 CB LEU A 34 -1.873 -0.413 -3.903 1.00 0.00 C ATOM 502 CG LEU A 34 -1.902 -0.064 -2.394 1.00 0.00 C ATOM 503 CD1 LEU A 34 -2.881 -0.973 -1.670 1.00 0.00 C ATOM 504 CD2 LEU A 34 -0.521 -0.261 -1.775 1.00 0.00 C ATOM 0 H LEU A 34 -1.429 -0.849 -6.301 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.248 1.468 -4.887 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.865 -0.768 -4.183 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.186 -1.248 -4.039 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.207 0.977 -2.293 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.895 -0.721 -0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.879 -0.840 -2.088 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.572 -2.011 -1.792 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.559 -0.012 -0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.214 -1.300 -1.893 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.198 0.388 -2.275 1.00 0.00 H new ATOM 516 N LYS A 35 0.950 0.798 -4.757 1.00 0.00 N ATOM 517 CA LYS A 35 2.222 1.393 -4.414 1.00 0.00 C ATOM 518 C LYS A 35 2.435 2.658 -5.213 1.00 0.00 C ATOM 519 O LYS A 35 2.884 3.645 -4.682 1.00 0.00 O ATOM 520 CB LYS A 35 3.387 0.441 -4.639 1.00 0.00 C ATOM 521 CG LYS A 35 3.355 -0.815 -3.796 1.00 0.00 C ATOM 522 CD LYS A 35 4.608 -1.666 -4.000 1.00 0.00 C ATOM 523 CE LYS A 35 4.811 -2.129 -5.423 1.00 0.00 C ATOM 524 NZ LYS A 35 6.064 -2.912 -5.566 1.00 0.00 N ATOM 0 H LYS A 35 1.014 -0.119 -5.198 1.00 0.00 H new ATOM 0 HA LYS A 35 2.191 1.626 -3.350 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.406 0.155 -5.691 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.317 0.973 -4.437 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.266 -0.545 -2.744 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.472 -1.401 -4.050 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.480 -1.091 -3.688 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.552 -2.539 -3.349 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.962 -2.739 -5.733 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.843 -1.265 -6.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.191 -3.186 -6.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.872 -2.333 -5.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.008 -3.767 -4.976 1.00 0.00 H new ATOM 538 N LYS A 36 2.075 2.628 -6.494 1.00 0.00 N ATOM 539 CA LYS A 36 2.198 3.807 -7.352 1.00 0.00 C ATOM 540 C LYS A 36 1.315 4.955 -6.868 1.00 0.00 C ATOM 541 O LYS A 36 1.723 6.120 -6.933 1.00 0.00 O ATOM 542 CB LYS A 36 1.911 3.482 -8.824 1.00 0.00 C ATOM 543 CG LYS A 36 3.122 3.024 -9.653 1.00 0.00 C ATOM 544 CD LYS A 36 3.851 1.827 -9.050 1.00 0.00 C ATOM 545 CE LYS A 36 5.002 1.360 -9.930 1.00 0.00 C ATOM 546 NZ LYS A 36 6.001 2.425 -10.149 1.00 0.00 N ATOM 0 H LYS A 36 1.697 1.804 -6.961 1.00 0.00 H new ATOM 0 HA LYS A 36 3.236 4.132 -7.284 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.151 2.702 -8.863 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.484 4.367 -9.296 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.789 2.768 -10.659 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.821 3.854 -9.751 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.233 2.093 -8.064 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.147 1.007 -8.908 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.485 0.500 -9.467 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.611 1.027 -10.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.850 2.019 -10.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.600 3.154 -10.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.257 2.854 -9.237 1.00 0.00 H new ATOM 560 N GLN A 37 0.126 4.627 -6.371 1.00 0.00 N ATOM 561 CA GLN A 37 -0.772 5.632 -5.804 1.00 0.00 C ATOM 562 C GLN A 37 -0.119 6.283 -4.590 1.00 0.00 C ATOM 563 O GLN A 37 0.010 7.496 -4.519 1.00 0.00 O ATOM 564 CB GLN A 37 -2.113 4.995 -5.374 1.00 0.00 C ATOM 565 CG GLN A 37 -3.026 4.540 -6.511 1.00 0.00 C ATOM 566 CD GLN A 37 -3.632 5.697 -7.292 1.00 0.00 C ATOM 567 OE1 GLN A 37 -3.866 6.781 -6.752 1.00 0.00 O ATOM 568 NE2 GLN A 37 -3.914 5.476 -8.546 1.00 0.00 N ATOM 0 H GLN A 37 -0.239 3.675 -6.349 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.967 6.382 -6.570 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.898 4.135 -4.739 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.657 5.715 -4.763 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.458 3.907 -7.193 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.829 3.927 -6.101 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.708 4.568 -8.963 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.341 6.211 -9.110 1.00 0.00 H new ATOM 577 N ILE A 38 0.362 5.453 -3.685 1.00 0.00 N ATOM 578 CA ILE A 38 0.949 5.921 -2.432 1.00 0.00 C ATOM 579 C ILE A 38 2.292 6.629 -2.659 1.00 0.00 C ATOM 580 O ILE A 38 2.511 7.746 -2.162 1.00 0.00 O ATOM 581 CB ILE A 38 1.120 4.754 -1.414 1.00 0.00 C ATOM 582 CG1 ILE A 38 -0.251 4.144 -1.082 1.00 0.00 C ATOM 583 CG2 ILE A 38 1.819 5.235 -0.135 1.00 0.00 C ATOM 584 CD1 ILE A 38 -0.187 2.939 -0.170 1.00 0.00 C ATOM 0 H ILE A 38 0.360 4.439 -3.791 1.00 0.00 H new ATOM 0 HA ILE A 38 0.253 6.647 -2.011 1.00 0.00 H new ATOM 0 HB ILE A 38 1.748 3.989 -1.869 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.873 4.907 -0.614 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.744 3.857 -2.011 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.925 4.400 0.558 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.805 5.627 -0.385 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.224 6.020 0.332 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.195 2.569 0.015 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.406 2.156 -0.643 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.275 3.223 0.776 1.00 0.00 H new ATOM 596 N MET A 39 3.162 6.008 -3.439 1.00 0.00 N ATOM 597 CA MET A 39 4.486 6.557 -3.695 1.00 0.00 C ATOM 598 C MET A 39 4.420 7.845 -4.468 1.00 0.00 C ATOM 599 O MET A 39 5.220 8.724 -4.254 1.00 0.00 O ATOM 600 CB MET A 39 5.428 5.551 -4.367 1.00 0.00 C ATOM 601 CG MET A 39 5.730 4.342 -3.500 1.00 0.00 C ATOM 602 SD MET A 39 6.977 3.238 -4.190 1.00 0.00 S ATOM 603 CE MET A 39 6.200 2.740 -5.716 1.00 0.00 C ATOM 0 H MET A 39 2.976 5.121 -3.907 1.00 0.00 H new ATOM 0 HA MET A 39 4.913 6.779 -2.717 1.00 0.00 H new ATOM 0 HB2 MET A 39 4.983 5.216 -5.304 1.00 0.00 H new ATOM 0 HB3 MET A 39 6.363 6.051 -4.620 1.00 0.00 H new ATOM 0 HG2 MET A 39 6.065 4.684 -2.521 1.00 0.00 H new ATOM 0 HG3 MET A 39 4.809 3.781 -3.344 1.00 0.00 H new ATOM 0 HE1 MET A 39 6.633 1.799 -6.055 1.00 0.00 H new ATOM 0 HE2 MET A 39 5.130 2.609 -5.554 1.00 0.00 H new ATOM 0 HE3 MET A 39 6.361 3.507 -6.474 1.00 0.00 H new ATOM 613 N GLY A 40 3.461 7.972 -5.343 1.00 0.00 N ATOM 614 CA GLY A 40 3.319 9.214 -6.053 1.00 0.00 C ATOM 615 C GLY A 40 2.767 10.294 -5.156 1.00 0.00 C ATOM 616 O GLY A 40 3.312 11.404 -5.089 1.00 0.00 O ATOM 0 H GLY A 40 2.780 7.250 -5.579 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.287 9.524 -6.447 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.657 9.074 -6.908 1.00 0.00 H new ATOM 620 N ARG A 41 1.752 9.927 -4.393 1.00 0.00 N ATOM 621 CA ARG A 41 1.039 10.837 -3.515 1.00 0.00 C ATOM 622 C ARG A 41 1.959 11.463 -2.477 1.00 0.00 C ATOM 623 O ARG A 41 2.022 12.683 -2.356 1.00 0.00 O ATOM 624 CB ARG A 41 -0.125 10.105 -2.825 1.00 0.00 C ATOM 625 CG ARG A 41 -0.722 10.864 -1.662 1.00 0.00 C ATOM 626 CD ARG A 41 -1.738 10.041 -0.902 1.00 0.00 C ATOM 627 NE ARG A 41 -1.758 10.455 0.493 1.00 0.00 N ATOM 628 CZ ARG A 41 -2.567 10.010 1.447 1.00 0.00 C ATOM 629 NH1 ARG A 41 -3.577 9.186 1.169 1.00 0.00 N ATOM 630 NH2 ARG A 41 -2.368 10.415 2.691 1.00 0.00 N ATOM 0 H ARG A 41 1.395 8.972 -4.366 1.00 0.00 H new ATOM 0 HA ARG A 41 0.643 11.645 -4.130 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.907 9.912 -3.560 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.227 9.136 -2.472 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.074 11.171 -0.984 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.196 11.774 -2.030 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.727 10.167 -1.343 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.490 8.982 -0.974 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.077 11.163 0.767 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.740 8.885 0.208 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.187 8.856 1.917 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.604 11.057 2.902 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.978 10.085 3.439 1.00 0.00 H new ATOM 644 N GLU A 42 2.710 10.639 -1.787 1.00 0.00 N ATOM 645 CA GLU A 42 3.545 11.114 -0.678 1.00 0.00 C ATOM 646 C GLU A 42 4.942 11.444 -1.173 1.00 0.00 C ATOM 647 O GLU A 42 5.809 11.869 -0.406 1.00 0.00 O ATOM 648 CB GLU A 42 3.630 10.046 0.400 1.00 0.00 C ATOM 649 CG GLU A 42 2.274 9.525 0.928 1.00 0.00 C ATOM 650 CD GLU A 42 1.480 10.547 1.736 1.00 0.00 C ATOM 651 OE1 GLU A 42 0.736 11.358 1.147 1.00 0.00 O ATOM 652 OE2 GLU A 42 1.571 10.533 2.990 1.00 0.00 O ATOM 0 H GLU A 42 2.769 9.636 -1.963 1.00 0.00 H new ATOM 0 HA GLU A 42 3.092 12.015 -0.263 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.196 9.201 0.007 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.198 10.446 1.240 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.669 9.199 0.082 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.452 8.647 1.549 1.00 0.00 H new ATOM 659 N LYS A 43 5.132 11.253 -2.458 1.00 0.00 N ATOM 660 CA LYS A 43 6.379 11.483 -3.147 1.00 0.00 C ATOM 661 C LYS A 43 7.511 10.617 -2.616 1.00 0.00 C ATOM 662 O LYS A 43 8.406 11.079 -1.888 1.00 0.00 O ATOM 663 CB LYS A 43 6.777 12.964 -3.247 1.00 0.00 C ATOM 664 CG LYS A 43 5.731 13.828 -3.926 1.00 0.00 C ATOM 665 CD LYS A 43 4.785 14.474 -2.940 1.00 0.00 C ATOM 666 CE LYS A 43 3.715 15.287 -3.655 1.00 0.00 C ATOM 667 NZ LYS A 43 2.829 14.432 -4.483 1.00 0.00 N ATOM 0 H LYS A 43 4.392 10.920 -3.076 1.00 0.00 H new ATOM 0 HA LYS A 43 6.192 11.166 -4.173 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.961 13.351 -2.245 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.715 13.044 -3.797 1.00 0.00 H new ATOM 0 HG2 LYS A 43 6.228 14.603 -4.509 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.160 13.219 -4.627 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.313 13.705 -2.328 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.345 15.120 -2.264 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.116 15.825 -2.920 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.191 16.036 -4.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.009 14.987 -4.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.355 14.086 -5.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.501 13.623 -3.918 1.00 0.00 H new ATOM 681 N LEU A 44 7.409 9.355 -2.911 1.00 0.00 N ATOM 682 CA LEU A 44 8.415 8.390 -2.579 1.00 0.00 C ATOM 683 C LEU A 44 9.193 8.046 -3.826 1.00 0.00 C ATOM 684 O LEU A 44 8.614 7.989 -4.924 1.00 0.00 O ATOM 685 CB LEU A 44 7.838 7.089 -1.982 1.00 0.00 C ATOM 686 CG LEU A 44 7.422 7.096 -0.505 1.00 0.00 C ATOM 687 CD1 LEU A 44 6.266 8.020 -0.247 1.00 0.00 C ATOM 688 CD2 LEU A 44 7.087 5.696 -0.047 1.00 0.00 C ATOM 0 H LEU A 44 6.606 8.959 -3.400 1.00 0.00 H new ATOM 0 HA LEU A 44 9.051 8.841 -1.817 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.966 6.809 -2.573 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.580 6.302 -2.116 1.00 0.00 H new ATOM 0 HG LEU A 44 8.270 7.468 0.069 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.007 7.992 0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.544 9.037 -0.526 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.408 7.703 -0.839 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.794 5.717 1.003 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.265 5.304 -0.646 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.961 5.055 -0.167 1.00 0.00 H new ATOM 700 N LYS A 45 10.469 7.816 -3.684 1.00 0.00 N ATOM 701 CA LYS A 45 11.285 7.464 -4.815 1.00 0.00 C ATOM 702 C LYS A 45 11.384 5.952 -4.978 1.00 0.00 C ATOM 703 O LYS A 45 12.128 5.259 -4.260 1.00 0.00 O ATOM 704 CB LYS A 45 12.658 8.150 -4.793 1.00 0.00 C ATOM 705 CG LYS A 45 13.435 8.021 -3.505 1.00 0.00 C ATOM 706 CD LYS A 45 14.847 8.568 -3.665 1.00 0.00 C ATOM 707 CE LYS A 45 14.868 10.055 -3.997 1.00 0.00 C ATOM 708 NZ LYS A 45 14.235 10.862 -2.938 1.00 0.00 N ATOM 0 H LYS A 45 10.968 7.866 -2.796 1.00 0.00 H new ATOM 0 HA LYS A 45 10.783 7.849 -5.703 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.262 7.739 -5.602 1.00 0.00 H new ATOM 0 HB3 LYS A 45 12.517 9.210 -5.006 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.920 8.560 -2.709 1.00 0.00 H new ATOM 0 HG3 LYS A 45 13.478 6.974 -3.205 1.00 0.00 H new ATOM 0 HD2 LYS A 45 15.405 8.398 -2.744 1.00 0.00 H new ATOM 0 HD3 LYS A 45 15.359 8.017 -4.454 1.00 0.00 H new ATOM 0 HE2 LYS A 45 15.899 10.382 -4.136 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.350 10.224 -4.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.417 11.871 -3.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.209 10.690 -2.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.632 10.595 -2.014 1.00 0.00 H new ATOM 722 N ALA A 46 10.641 5.457 -5.943 1.00 0.00 N ATOM 723 CA ALA A 46 10.516 4.031 -6.205 1.00 0.00 C ATOM 724 C ALA A 46 11.791 3.433 -6.792 1.00 0.00 C ATOM 725 O ALA A 46 11.976 2.218 -6.793 1.00 0.00 O ATOM 726 CB ALA A 46 9.339 3.784 -7.125 1.00 0.00 C ATOM 0 H ALA A 46 10.097 6.038 -6.580 1.00 0.00 H new ATOM 0 HA ALA A 46 10.347 3.532 -5.251 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.247 2.715 -7.320 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.426 4.146 -6.653 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.495 4.312 -8.066 1.00 0.00 H new ATOM 732 N ALA A 47 12.670 4.275 -7.287 1.00 0.00 N ATOM 733 CA ALA A 47 13.929 3.806 -7.849 1.00 0.00 C ATOM 734 C ALA A 47 14.993 3.673 -6.768 1.00 0.00 C ATOM 735 O ALA A 47 16.142 3.316 -7.040 1.00 0.00 O ATOM 736 CB ALA A 47 14.395 4.730 -8.947 1.00 0.00 C ATOM 0 H ALA A 47 12.542 5.287 -7.315 1.00 0.00 H new ATOM 0 HA ALA A 47 13.762 2.818 -8.278 1.00 0.00 H new ATOM 0 HB1 ALA A 47 15.337 4.364 -9.355 1.00 0.00 H new ATOM 0 HB2 ALA A 47 13.645 4.763 -9.738 1.00 0.00 H new ATOM 0 HB3 ALA A 47 14.540 5.732 -8.543 1.00 0.00 H new ATOM 742 N ASP A 48 14.607 3.956 -5.549 1.00 0.00 N ATOM 743 CA ASP A 48 15.502 3.840 -4.410 1.00 0.00 C ATOM 744 C ASP A 48 14.921 2.891 -3.394 1.00 0.00 C ATOM 745 O ASP A 48 15.633 2.105 -2.761 1.00 0.00 O ATOM 746 CB ASP A 48 15.716 5.193 -3.765 1.00 0.00 C ATOM 747 CG ASP A 48 16.625 5.143 -2.563 1.00 0.00 C ATOM 748 OD1 ASP A 48 17.851 5.118 -2.741 1.00 0.00 O ATOM 749 OD2 ASP A 48 16.133 5.155 -1.421 1.00 0.00 O ATOM 0 H ASP A 48 13.667 4.273 -5.312 1.00 0.00 H new ATOM 0 HA ASP A 48 16.460 3.457 -4.762 1.00 0.00 H new ATOM 0 HB2 ASP A 48 16.137 5.877 -4.502 1.00 0.00 H new ATOM 0 HB3 ASP A 48 14.751 5.602 -3.465 1.00 0.00 H new ATOM 754 N CYS A 49 13.632 2.931 -3.251 1.00 0.00 N ATOM 755 CA CYS A 49 12.969 2.111 -2.300 1.00 0.00 C ATOM 756 C CYS A 49 11.733 1.478 -2.907 1.00 0.00 C ATOM 757 O CYS A 49 11.152 2.003 -3.850 1.00 0.00 O ATOM 758 CB CYS A 49 12.592 2.930 -1.065 1.00 0.00 C ATOM 759 SG CYS A 49 13.995 3.571 -0.112 1.00 0.00 S ATOM 0 H CYS A 49 13.015 3.535 -3.793 1.00 0.00 H new ATOM 0 HA CYS A 49 13.650 1.315 -1.999 1.00 0.00 H new ATOM 0 HB2 CYS A 49 11.972 3.770 -1.380 1.00 0.00 H new ATOM 0 HB3 CYS A 49 11.980 2.310 -0.410 1.00 0.00 H new ATOM 0 HG CYS A 49 14.782 4.244 -0.898 1.00 0.00 H new ATOM 765 N ASP A 50 11.363 0.356 -2.374 1.00 0.00 N ATOM 766 CA ASP A 50 10.181 -0.345 -2.777 1.00 0.00 C ATOM 767 C ASP A 50 9.195 -0.205 -1.665 1.00 0.00 C ATOM 768 O ASP A 50 9.573 0.084 -0.512 1.00 0.00 O ATOM 769 CB ASP A 50 10.467 -1.833 -3.035 1.00 0.00 C ATOM 770 CG ASP A 50 9.247 -2.607 -3.592 1.00 0.00 C ATOM 771 OD1 ASP A 50 8.447 -2.021 -4.388 1.00 0.00 O ATOM 772 OD2 ASP A 50 9.046 -3.793 -3.222 1.00 0.00 O ATOM 0 H ASP A 50 11.884 -0.109 -1.631 1.00 0.00 H new ATOM 0 HA ASP A 50 9.800 0.073 -3.709 1.00 0.00 H new ATOM 0 HB2 ASP A 50 11.295 -1.919 -3.739 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.790 -2.300 -2.104 1.00 0.00 H new ATOM 777 N LEU A 51 7.978 -0.401 -1.959 1.00 0.00 N ATOM 778 CA LEU A 51 6.977 -0.241 -0.982 1.00 0.00 C ATOM 779 C LEU A 51 6.470 -1.620 -0.606 1.00 0.00 C ATOM 780 O LEU A 51 5.815 -2.295 -1.385 1.00 0.00 O ATOM 781 CB LEU A 51 5.883 0.689 -1.511 1.00 0.00 C ATOM 782 CG LEU A 51 4.924 1.245 -0.491 1.00 0.00 C ATOM 783 CD1 LEU A 51 5.697 2.001 0.570 1.00 0.00 C ATOM 784 CD2 LEU A 51 3.938 2.175 -1.152 1.00 0.00 C ATOM 0 H LEU A 51 7.641 -0.677 -2.881 1.00 0.00 H new ATOM 0 HA LEU A 51 7.363 0.232 -0.079 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.362 1.525 -2.020 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.307 0.147 -2.261 1.00 0.00 H new ATOM 0 HG LEU A 51 4.379 0.420 -0.032 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.003 2.403 1.308 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.397 1.325 1.061 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.247 2.819 0.106 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.251 2.569 -0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.474 2.999 -1.622 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.375 1.630 -1.909 1.00 0.00 H new ATOM 796 N GLN A 52 6.813 -2.052 0.553 1.00 0.00 N ATOM 797 CA GLN A 52 6.511 -3.381 0.956 1.00 0.00 C ATOM 798 C GLN A 52 5.342 -3.355 1.907 1.00 0.00 C ATOM 799 O GLN A 52 5.436 -2.885 3.041 1.00 0.00 O ATOM 800 CB GLN A 52 7.744 -4.016 1.551 1.00 0.00 C ATOM 801 CG GLN A 52 7.673 -5.509 1.687 1.00 0.00 C ATOM 802 CD GLN A 52 8.994 -6.104 2.082 1.00 0.00 C ATOM 803 OE1 GLN A 52 9.297 -6.264 3.266 1.00 0.00 O ATOM 804 NE2 GLN A 52 9.802 -6.409 1.114 1.00 0.00 N ATOM 0 H GLN A 52 7.310 -1.497 1.250 1.00 0.00 H new ATOM 0 HA GLN A 52 6.219 -3.993 0.102 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.603 -3.761 0.931 1.00 0.00 H new ATOM 0 HB3 GLN A 52 7.921 -3.582 2.535 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.921 -5.769 2.432 1.00 0.00 H new ATOM 0 HG3 GLN A 52 7.348 -5.944 0.742 1.00 0.00 H new ATOM 0 HE21 GLN A 52 9.516 -6.263 0.146 1.00 0.00 H new ATOM 0 HE22 GLN A 52 10.723 -6.795 1.321 1.00 0.00 H new ATOM 813 N ILE A 53 4.244 -3.823 1.429 1.00 0.00 N ATOM 814 CA ILE A 53 3.003 -3.741 2.142 1.00 0.00 C ATOM 815 C ILE A 53 2.786 -5.022 2.918 1.00 0.00 C ATOM 816 O ILE A 53 3.039 -6.096 2.416 1.00 0.00 O ATOM 817 CB ILE A 53 1.830 -3.546 1.149 1.00 0.00 C ATOM 818 CG1 ILE A 53 2.141 -2.434 0.128 1.00 0.00 C ATOM 819 CG2 ILE A 53 0.524 -3.253 1.873 1.00 0.00 C ATOM 820 CD1 ILE A 53 2.360 -1.065 0.691 1.00 0.00 C ATOM 0 H ILE A 53 4.173 -4.281 0.520 1.00 0.00 H new ATOM 0 HA ILE A 53 3.041 -2.892 2.825 1.00 0.00 H new ATOM 0 HB ILE A 53 1.710 -4.485 0.608 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.031 -2.721 -0.431 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.319 -2.384 -0.586 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.275 -3.122 1.143 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.280 -4.085 2.534 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.631 -2.342 2.461 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.570 -0.368 -0.120 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.465 -0.743 1.223 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.204 -1.086 1.380 1.00 0.00 H new ATOM 832 N THR A 54 2.380 -4.904 4.127 1.00 0.00 N ATOM 833 CA THR A 54 2.079 -6.032 4.942 1.00 0.00 C ATOM 834 C THR A 54 0.598 -5.952 5.335 1.00 0.00 C ATOM 835 O THR A 54 0.047 -4.879 5.391 1.00 0.00 O ATOM 836 CB THR A 54 2.969 -5.997 6.193 1.00 0.00 C ATOM 837 OG1 THR A 54 4.329 -5.824 5.786 1.00 0.00 O ATOM 838 CG2 THR A 54 2.860 -7.275 6.983 1.00 0.00 C ATOM 0 H THR A 54 2.243 -4.006 4.592 1.00 0.00 H new ATOM 0 HA THR A 54 2.266 -6.963 4.407 1.00 0.00 H new ATOM 0 HB THR A 54 2.640 -5.172 6.825 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.585 -4.884 5.891 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.503 -7.216 7.861 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.827 -7.421 7.299 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.171 -8.115 6.362 1.00 0.00 H new ATOM 846 N ASN A 55 -0.045 -7.070 5.526 1.00 0.00 N ATOM 847 CA ASN A 55 -1.432 -7.094 5.958 1.00 0.00 C ATOM 848 C ASN A 55 -1.511 -6.682 7.418 1.00 0.00 C ATOM 849 O ASN A 55 -0.667 -7.081 8.205 1.00 0.00 O ATOM 850 CB ASN A 55 -2.002 -8.485 5.794 1.00 0.00 C ATOM 851 CG ASN A 55 -3.481 -8.491 5.882 1.00 0.00 C ATOM 852 OD1 ASN A 55 -4.052 -8.562 6.950 1.00 0.00 O ATOM 853 ND2 ASN A 55 -4.104 -8.461 4.780 1.00 0.00 N ATOM 0 H ASN A 55 0.368 -7.993 5.390 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.010 -6.400 5.348 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.694 -8.892 4.831 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.590 -9.139 6.563 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.123 -8.497 4.769 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.587 -8.401 3.903 1.00 0.00 H new ATOM 860 N ALA A 56 -2.505 -5.892 7.787 1.00 0.00 N ATOM 861 CA ALA A 56 -2.618 -5.431 9.170 1.00 0.00 C ATOM 862 C ALA A 56 -3.172 -6.522 10.067 1.00 0.00 C ATOM 863 O ALA A 56 -2.902 -6.551 11.265 1.00 0.00 O ATOM 864 CB ALA A 56 -3.481 -4.181 9.264 1.00 0.00 C ATOM 0 H ALA A 56 -3.238 -5.557 7.162 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.614 -5.181 9.514 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.547 -3.862 10.304 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.035 -3.385 8.668 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.480 -4.400 8.888 1.00 0.00 H new ATOM 870 N GLN A 57 -3.928 -7.420 9.483 1.00 0.00 N ATOM 871 CA GLN A 57 -4.538 -8.511 10.217 1.00 0.00 C ATOM 872 C GLN A 57 -3.663 -9.750 10.198 1.00 0.00 C ATOM 873 O GLN A 57 -3.243 -10.243 11.247 1.00 0.00 O ATOM 874 CB GLN A 57 -5.890 -8.885 9.620 1.00 0.00 C ATOM 875 CG GLN A 57 -6.982 -7.846 9.759 1.00 0.00 C ATOM 876 CD GLN A 57 -8.289 -8.317 9.144 1.00 0.00 C ATOM 877 OE1 GLN A 57 -8.585 -9.512 9.105 1.00 0.00 O ATOM 878 NE2 GLN A 57 -9.072 -7.401 8.655 1.00 0.00 N ATOM 0 H GLN A 57 -4.140 -7.418 8.485 1.00 0.00 H new ATOM 0 HA GLN A 57 -4.663 -8.163 11.242 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.751 -9.099 8.560 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -6.231 -9.808 10.090 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -7.137 -7.620 10.814 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -6.666 -6.920 9.278 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -8.800 -6.419 8.702 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -9.958 -7.664 8.225 1.00 0.00 H new ATOM 887 N THR A 58 -3.357 -10.235 9.009 1.00 0.00 N ATOM 888 CA THR A 58 -2.691 -11.516 8.870 1.00 0.00 C ATOM 889 C THR A 58 -1.188 -11.346 8.929 1.00 0.00 C ATOM 890 O THR A 58 -0.446 -12.305 9.151 1.00 0.00 O ATOM 891 CB THR A 58 -3.087 -12.202 7.532 1.00 0.00 C ATOM 892 OG1 THR A 58 -2.503 -11.498 6.431 1.00 0.00 O ATOM 893 CG2 THR A 58 -4.593 -12.154 7.351 1.00 0.00 C ATOM 0 H THR A 58 -3.558 -9.762 8.128 1.00 0.00 H new ATOM 0 HA THR A 58 -3.010 -12.149 9.698 1.00 0.00 H new ATOM 0 HB THR A 58 -2.735 -13.233 7.562 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.755 -11.936 5.592 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.862 -12.637 6.411 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.076 -12.675 8.178 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.924 -11.116 7.334 1.00 0.00 H new ATOM 901 N LYS A 59 -0.751 -10.105 8.745 1.00 0.00 N ATOM 902 CA LYS A 59 0.656 -9.732 8.710 1.00 0.00 C ATOM 903 C LYS A 59 1.378 -10.383 7.533 1.00 0.00 C ATOM 904 O LYS A 59 2.601 -10.501 7.527 1.00 0.00 O ATOM 905 CB LYS A 59 1.369 -10.006 10.049 1.00 0.00 C ATOM 906 CG LYS A 59 0.765 -9.268 11.256 1.00 0.00 C ATOM 907 CD LYS A 59 0.708 -7.745 11.063 1.00 0.00 C ATOM 908 CE LYS A 59 2.082 -7.121 10.772 1.00 0.00 C ATOM 909 NZ LYS A 59 3.059 -7.325 11.866 1.00 0.00 N ATOM 0 H LYS A 59 -1.381 -9.313 8.613 1.00 0.00 H new ATOM 0 HA LYS A 59 0.695 -8.653 8.558 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.346 -11.078 10.246 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.417 -9.722 9.953 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.242 -9.643 11.437 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.354 -9.494 12.145 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.030 -7.514 10.241 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.290 -7.287 11.959 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.481 -7.550 9.853 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.959 -6.052 10.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.964 -6.882 11.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.697 -6.893 12.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.203 -8.344 12.017 1.00 0.00 H new ATOM 923 N GLU A 60 0.614 -10.772 6.526 1.00 0.00 N ATOM 924 CA GLU A 60 1.179 -11.316 5.322 1.00 0.00 C ATOM 925 C GLU A 60 1.769 -10.186 4.506 1.00 0.00 C ATOM 926 O GLU A 60 1.119 -9.161 4.304 1.00 0.00 O ATOM 927 CB GLU A 60 0.127 -12.052 4.499 1.00 0.00 C ATOM 928 CG GLU A 60 0.680 -12.655 3.220 1.00 0.00 C ATOM 929 CD GLU A 60 -0.359 -13.342 2.399 1.00 0.00 C ATOM 930 OE1 GLU A 60 -0.637 -14.522 2.657 1.00 0.00 O ATOM 931 OE2 GLU A 60 -0.898 -12.726 1.455 1.00 0.00 O ATOM 0 H GLU A 60 -0.405 -10.717 6.528 1.00 0.00 H new ATOM 0 HA GLU A 60 1.954 -12.034 5.591 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.311 -12.844 5.106 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.678 -11.361 4.248 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.143 -11.868 2.625 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.465 -13.368 3.472 1.00 0.00 H new ATOM 938 N GLU A 61 2.975 -10.349 4.079 1.00 0.00 N ATOM 939 CA GLU A 61 3.645 -9.369 3.315 1.00 0.00 C ATOM 940 C GLU A 61 3.352 -9.543 1.861 1.00 0.00 C ATOM 941 O GLU A 61 3.322 -10.657 1.350 1.00 0.00 O ATOM 942 CB GLU A 61 5.105 -9.497 3.558 1.00 0.00 C ATOM 943 CG GLU A 61 5.461 -9.154 4.955 1.00 0.00 C ATOM 944 CD GLU A 61 6.836 -9.574 5.316 1.00 0.00 C ATOM 945 OE1 GLU A 61 7.051 -10.774 5.553 1.00 0.00 O ATOM 946 OE2 GLU A 61 7.717 -8.723 5.424 1.00 0.00 O ATOM 0 H GLU A 61 3.529 -11.187 4.258 1.00 0.00 H new ATOM 0 HA GLU A 61 3.300 -8.378 3.612 1.00 0.00 H new ATOM 0 HB2 GLU A 61 5.422 -10.517 3.342 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.646 -8.844 2.874 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.366 -8.077 5.096 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.751 -9.628 5.633 1.00 0.00 H new ATOM 953 N TYR A 62 3.124 -8.466 1.219 1.00 0.00 N ATOM 954 CA TYR A 62 2.883 -8.445 -0.189 1.00 0.00 C ATOM 955 C TYR A 62 4.132 -7.949 -0.861 1.00 0.00 C ATOM 956 O TYR A 62 4.452 -6.754 -0.796 1.00 0.00 O ATOM 957 CB TYR A 62 1.709 -7.529 -0.540 1.00 0.00 C ATOM 958 CG TYR A 62 0.415 -7.890 0.148 1.00 0.00 C ATOM 959 CD1 TYR A 62 -0.249 -9.065 -0.162 1.00 0.00 C ATOM 960 CD2 TYR A 62 -0.134 -7.058 1.111 1.00 0.00 C ATOM 961 CE1 TYR A 62 -1.427 -9.397 0.463 1.00 0.00 C ATOM 962 CE2 TYR A 62 -1.312 -7.385 1.742 1.00 0.00 C ATOM 963 CZ TYR A 62 -1.955 -8.553 1.413 1.00 0.00 C ATOM 964 OH TYR A 62 -3.134 -8.886 2.047 1.00 0.00 O ATOM 0 H TYR A 62 3.096 -7.545 1.657 1.00 0.00 H new ATOM 0 HA TYR A 62 2.628 -9.449 -0.528 1.00 0.00 H new ATOM 0 HB2 TYR A 62 1.972 -6.504 -0.279 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.553 -7.554 -1.619 1.00 0.00 H new ATOM 0 HD1 TYR A 62 0.165 -9.730 -0.906 1.00 0.00 H new ATOM 0 HD2 TYR A 62 0.371 -6.139 1.370 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.936 -10.315 0.210 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -1.728 -6.728 2.491 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.213 -9.861 2.099 1.00 0.00 H new ATOM 974 N THR A 63 4.869 -8.849 -1.430 1.00 0.00 N ATOM 975 CA THR A 63 6.089 -8.495 -2.072 1.00 0.00 C ATOM 976 C THR A 63 5.943 -8.554 -3.591 1.00 0.00 C ATOM 977 O THR A 63 6.728 -7.944 -4.328 1.00 0.00 O ATOM 978 CB THR A 63 7.226 -9.420 -1.590 1.00 0.00 C ATOM 979 OG1 THR A 63 6.835 -10.796 -1.777 1.00 0.00 O ATOM 980 CG2 THR A 63 7.528 -9.183 -0.107 1.00 0.00 C ATOM 0 H THR A 63 4.642 -9.843 -1.462 1.00 0.00 H new ATOM 0 HA THR A 63 6.339 -7.468 -1.804 1.00 0.00 H new ATOM 0 HB THR A 63 8.121 -9.200 -2.171 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.557 -11.385 -1.473 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.333 -9.846 0.211 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.832 -8.147 0.041 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.635 -9.387 0.483 1.00 0.00 H new ATOM 988 N ASP A 64 4.934 -9.281 -4.056 1.00 0.00 N ATOM 989 CA ASP A 64 4.697 -9.418 -5.483 1.00 0.00 C ATOM 990 C ASP A 64 3.774 -8.314 -5.910 1.00 0.00 C ATOM 991 O ASP A 64 2.743 -8.119 -5.285 1.00 0.00 O ATOM 992 CB ASP A 64 4.002 -10.726 -5.803 1.00 0.00 C ATOM 993 CG ASP A 64 4.244 -11.160 -7.199 1.00 0.00 C ATOM 994 OD1 ASP A 64 3.924 -10.413 -8.106 1.00 0.00 O ATOM 995 OD2 ASP A 64 4.759 -12.272 -7.412 1.00 0.00 O ATOM 0 H ASP A 64 4.270 -9.782 -3.466 1.00 0.00 H new ATOM 0 HA ASP A 64 5.658 -9.383 -5.996 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.352 -11.499 -5.118 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.930 -10.616 -5.639 1.00 0.00 H new ATOM 1000 N ASP A 65 4.087 -7.641 -7.000 1.00 0.00 N ATOM 1001 CA ASP A 65 3.275 -6.494 -7.462 1.00 0.00 C ATOM 1002 C ASP A 65 1.886 -6.928 -7.918 1.00 0.00 C ATOM 1003 O ASP A 65 0.986 -6.095 -8.090 1.00 0.00 O ATOM 1004 CB ASP A 65 3.948 -5.712 -8.600 1.00 0.00 C ATOM 1005 CG ASP A 65 5.305 -5.144 -8.261 1.00 0.00 C ATOM 1006 OD1 ASP A 65 6.309 -5.865 -8.371 1.00 0.00 O ATOM 1007 OD2 ASP A 65 5.402 -3.965 -7.895 1.00 0.00 O ATOM 0 H ASP A 65 4.891 -7.854 -7.591 1.00 0.00 H new ATOM 0 HA ASP A 65 3.184 -5.838 -6.596 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.050 -6.370 -9.463 1.00 0.00 H new ATOM 0 HB3 ASP A 65 3.292 -4.895 -8.898 1.00 0.00 H new ATOM 1012 N ASN A 66 1.716 -8.225 -8.093 1.00 0.00 N ATOM 1013 CA ASN A 66 0.453 -8.795 -8.544 1.00 0.00 C ATOM 1014 C ASN A 66 -0.488 -9.032 -7.385 1.00 0.00 C ATOM 1015 O ASN A 66 -1.648 -9.425 -7.592 1.00 0.00 O ATOM 1016 CB ASN A 66 0.675 -10.105 -9.304 1.00 0.00 C ATOM 1017 CG ASN A 66 1.515 -9.927 -10.540 1.00 0.00 C ATOM 1018 OD1 ASN A 66 1.002 -9.712 -11.655 1.00 0.00 O ATOM 1019 ND2 ASN A 66 2.795 -9.984 -10.366 1.00 0.00 N ATOM 0 H ASN A 66 2.448 -8.916 -7.927 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.001 -8.070 -9.220 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.157 -10.826 -8.643 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -0.291 -10.525 -9.584 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.424 -9.851 -11.158 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.176 -10.162 -9.437 1.00 0.00 H new ATOM 1026 N ALA A 67 0.006 -8.818 -6.167 1.00 0.00 N ATOM 1027 CA ALA A 67 -0.810 -8.945 -4.979 1.00 0.00 C ATOM 1028 C ALA A 67 -1.911 -7.909 -5.032 1.00 0.00 C ATOM 1029 O ALA A 67 -1.692 -6.823 -5.513 1.00 0.00 O ATOM 1030 CB ALA A 67 0.030 -8.758 -3.730 1.00 0.00 C ATOM 0 H ALA A 67 0.974 -8.555 -5.985 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.245 -9.944 -4.943 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.603 -8.857 -2.848 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.814 -9.515 -3.702 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.483 -7.767 -3.742 1.00 0.00 H new ATOM 1036 N LEU A 68 -3.079 -8.245 -4.602 1.00 0.00 N ATOM 1037 CA LEU A 68 -4.182 -7.321 -4.672 1.00 0.00 C ATOM 1038 C LEU A 68 -4.676 -7.014 -3.279 1.00 0.00 C ATOM 1039 O LEU A 68 -4.728 -7.914 -2.417 1.00 0.00 O ATOM 1040 CB LEU A 68 -5.296 -7.877 -5.581 1.00 0.00 C ATOM 1041 CG LEU A 68 -6.083 -9.080 -5.047 1.00 0.00 C ATOM 1042 CD1 LEU A 68 -7.277 -8.620 -4.253 1.00 0.00 C ATOM 1043 CD2 LEU A 68 -6.487 -10.028 -6.156 1.00 0.00 C ATOM 0 H LEU A 68 -3.305 -9.153 -4.196 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.849 -6.385 -5.120 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.002 -7.072 -5.786 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.849 -8.159 -6.534 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.425 -9.638 -4.381 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -7.823 -9.487 -3.882 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.942 -8.014 -3.411 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.931 -8.025 -4.891 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.042 -10.866 -5.734 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.115 -9.501 -6.874 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.595 -10.401 -6.659 1.00 0.00 H new ATOM 1055 N ILE A 69 -4.967 -5.774 -3.013 1.00 0.00 N ATOM 1056 CA ILE A 69 -5.490 -5.428 -1.725 1.00 0.00 C ATOM 1057 C ILE A 69 -6.891 -4.820 -1.866 1.00 0.00 C ATOM 1058 O ILE A 69 -7.069 -3.792 -2.512 1.00 0.00 O ATOM 1059 CB ILE A 69 -4.565 -4.464 -0.892 1.00 0.00 C ATOM 1060 CG1 ILE A 69 -3.168 -5.064 -0.625 1.00 0.00 C ATOM 1061 CG2 ILE A 69 -5.222 -4.090 0.428 1.00 0.00 C ATOM 1062 CD1 ILE A 69 -2.188 -4.988 -1.783 1.00 0.00 C ATOM 0 H ILE A 69 -4.853 -4.995 -3.661 1.00 0.00 H new ATOM 0 HA ILE A 69 -5.538 -6.361 -1.163 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.429 -3.569 -1.499 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.730 -4.552 0.232 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.289 -6.110 -0.343 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.564 -3.424 0.986 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.169 -3.586 0.233 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.405 -4.992 1.012 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.240 -5.437 -1.487 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.594 -5.527 -2.639 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.026 -3.945 -2.055 1.00 0.00 H new ATOM 1074 N PRO A 70 -7.902 -5.498 -1.330 1.00 0.00 N ATOM 1075 CA PRO A 70 -9.273 -4.997 -1.307 1.00 0.00 C ATOM 1076 C PRO A 70 -9.511 -3.945 -0.231 1.00 0.00 C ATOM 1077 O PRO A 70 -8.832 -3.919 0.800 1.00 0.00 O ATOM 1078 CB PRO A 70 -10.099 -6.245 -1.009 1.00 0.00 C ATOM 1079 CG PRO A 70 -9.176 -7.133 -0.251 1.00 0.00 C ATOM 1080 CD PRO A 70 -7.795 -6.838 -0.738 1.00 0.00 C ATOM 0 HA PRO A 70 -9.528 -4.500 -2.243 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -10.986 -6.003 -0.424 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -10.443 -6.721 -1.927 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.256 -6.949 0.820 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -9.428 -8.181 -0.414 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.072 -6.857 0.078 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -7.466 -7.573 -1.472 1.00 0.00 H new ATOM 1088 N LYS A 71 -10.522 -3.110 -0.454 1.00 0.00 N ATOM 1089 CA LYS A 71 -10.918 -2.059 0.503 1.00 0.00 C ATOM 1090 C LYS A 71 -11.539 -2.653 1.754 1.00 0.00 C ATOM 1091 O LYS A 71 -11.792 -1.961 2.736 1.00 0.00 O ATOM 1092 CB LYS A 71 -11.877 -1.053 -0.136 1.00 0.00 C ATOM 1093 CG LYS A 71 -13.084 -1.661 -0.828 1.00 0.00 C ATOM 1094 CD LYS A 71 -14.019 -0.577 -1.292 1.00 0.00 C ATOM 1095 CE LYS A 71 -15.224 -1.114 -2.046 1.00 0.00 C ATOM 1096 NZ LYS A 71 -16.094 -0.014 -2.514 1.00 0.00 N ATOM 0 H LYS A 71 -11.094 -3.135 -1.298 1.00 0.00 H new ATOM 0 HA LYS A 71 -10.009 -1.531 0.790 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.228 -0.368 0.636 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.323 -0.458 -0.862 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.760 -2.261 -1.679 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -13.604 -2.332 -0.144 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.362 -0.007 -0.429 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -13.474 0.115 -1.935 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -14.889 -1.705 -2.899 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -15.793 -1.782 -1.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -16.934 -0.411 -2.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -16.390 0.564 -1.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -15.571 0.579 -3.189 1.00 0.00 H new ATOM 1110 N ASN A 72 -11.765 -3.930 1.700 1.00 0.00 N ATOM 1111 CA ASN A 72 -12.328 -4.686 2.800 1.00 0.00 C ATOM 1112 C ASN A 72 -11.224 -5.027 3.798 1.00 0.00 C ATOM 1113 O ASN A 72 -11.487 -5.360 4.963 1.00 0.00 O ATOM 1114 CB ASN A 72 -12.946 -5.987 2.270 1.00 0.00 C ATOM 1115 CG ASN A 72 -13.938 -5.756 1.144 1.00 0.00 C ATOM 1116 OD1 ASN A 72 -13.560 -5.735 -0.028 1.00 0.00 O ATOM 1117 ND2 ASN A 72 -15.188 -5.573 1.478 1.00 0.00 N ATOM 0 H ASN A 72 -11.562 -4.497 0.877 1.00 0.00 H new ATOM 0 HA ASN A 72 -13.098 -4.090 3.290 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -12.151 -6.643 1.917 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -13.447 -6.505 3.088 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -15.889 -5.406 0.757 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -15.462 -5.598 2.460 1.00 0.00 H new ATOM 1124 N SER A 73 -9.999 -4.926 3.347 1.00 0.00 N ATOM 1125 CA SER A 73 -8.853 -5.252 4.145 1.00 0.00 C ATOM 1126 C SER A 73 -8.130 -3.989 4.599 1.00 0.00 C ATOM 1127 O SER A 73 -8.301 -2.916 4.013 1.00 0.00 O ATOM 1128 CB SER A 73 -7.903 -6.122 3.319 1.00 0.00 C ATOM 1129 OG SER A 73 -8.528 -7.341 2.943 1.00 0.00 O ATOM 0 H SER A 73 -9.771 -4.611 2.404 1.00 0.00 H new ATOM 0 HA SER A 73 -9.182 -5.793 5.032 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.590 -5.579 2.427 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.003 -6.333 3.896 1.00 0.00 H new ATOM 0 HG SER A 73 -7.903 -7.880 2.415 1.00 0.00 H new ATOM 1135 N SER A 74 -7.365 -4.110 5.642 1.00 0.00 N ATOM 1136 CA SER A 74 -6.538 -3.042 6.111 1.00 0.00 C ATOM 1137 C SER A 74 -5.102 -3.537 6.051 1.00 0.00 C ATOM 1138 O SER A 74 -4.821 -4.699 6.396 1.00 0.00 O ATOM 1139 CB SER A 74 -6.928 -2.648 7.538 1.00 0.00 C ATOM 1140 OG SER A 74 -8.323 -2.317 7.611 1.00 0.00 O ATOM 0 H SER A 74 -7.298 -4.963 6.197 1.00 0.00 H new ATOM 0 HA SER A 74 -6.660 -2.152 5.494 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.708 -3.469 8.220 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.330 -1.796 7.861 1.00 0.00 H new ATOM 0 HG SER A 74 -8.553 -2.070 8.531 1.00 0.00 H new ATOM 1146 N VAL A 75 -4.216 -2.715 5.590 1.00 0.00 N ATOM 1147 CA VAL A 75 -2.844 -3.114 5.408 1.00 0.00 C ATOM 1148 C VAL A 75 -1.889 -2.095 6.024 1.00 0.00 C ATOM 1149 O VAL A 75 -2.288 -1.000 6.396 1.00 0.00 O ATOM 1150 CB VAL A 75 -2.492 -3.382 3.899 1.00 0.00 C ATOM 1151 CG1 VAL A 75 -3.178 -4.646 3.399 1.00 0.00 C ATOM 1152 CG2 VAL A 75 -2.909 -2.223 3.008 1.00 0.00 C ATOM 0 H VAL A 75 -4.414 -1.750 5.328 1.00 0.00 H new ATOM 0 HA VAL A 75 -2.718 -4.061 5.933 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.410 -3.499 3.848 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.920 -4.811 2.353 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.848 -5.498 3.993 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.258 -4.535 3.493 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.648 -2.447 1.974 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.986 -2.073 3.087 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.392 -1.317 3.324 1.00 0.00 H new ATOM 1162 N ILE A 76 -0.661 -2.475 6.166 1.00 0.00 N ATOM 1163 CA ILE A 76 0.357 -1.632 6.723 1.00 0.00 C ATOM 1164 C ILE A 76 1.442 -1.443 5.694 1.00 0.00 C ATOM 1165 O ILE A 76 1.920 -2.402 5.086 1.00 0.00 O ATOM 1166 CB ILE A 76 0.924 -2.204 8.053 1.00 0.00 C ATOM 1167 CG1 ILE A 76 -0.218 -2.298 9.073 1.00 0.00 C ATOM 1168 CG2 ILE A 76 2.076 -1.335 8.590 1.00 0.00 C ATOM 1169 CD1 ILE A 76 0.195 -2.740 10.447 1.00 0.00 C ATOM 0 H ILE A 76 -0.326 -3.399 5.893 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.079 -0.665 6.974 1.00 0.00 H new ATOM 0 HB ILE A 76 1.335 -3.197 7.873 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.698 -1.322 9.150 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.968 -2.993 8.694 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.450 -1.762 9.521 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.881 -1.303 7.856 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.713 -0.324 8.775 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.680 -2.776 11.096 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.646 -3.731 10.390 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.920 -2.035 10.854 1.00 0.00 H new ATOM 1181 N VAL A 77 1.797 -0.228 5.495 1.00 0.00 N ATOM 1182 CA VAL A 77 2.704 0.161 4.468 1.00 0.00 C ATOM 1183 C VAL A 77 4.074 0.417 5.057 1.00 0.00 C ATOM 1184 O VAL A 77 4.228 1.238 5.966 1.00 0.00 O ATOM 1185 CB VAL A 77 2.167 1.431 3.785 1.00 0.00 C ATOM 1186 CG1 VAL A 77 3.065 1.893 2.681 1.00 0.00 C ATOM 1187 CG2 VAL A 77 0.780 1.176 3.262 1.00 0.00 C ATOM 0 H VAL A 77 1.456 0.552 6.057 1.00 0.00 H new ATOM 0 HA VAL A 77 2.793 -0.637 3.731 1.00 0.00 H new ATOM 0 HB VAL A 77 2.136 2.227 4.529 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.649 2.792 2.226 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.053 2.115 3.084 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.148 1.110 1.928 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.402 2.077 2.779 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.808 0.361 2.539 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.123 0.905 4.089 1.00 0.00 H new ATOM 1197 N ARG A 78 5.052 -0.293 4.558 1.00 0.00 N ATOM 1198 CA ARG A 78 6.393 -0.173 5.037 1.00 0.00 C ATOM 1199 C ARG A 78 7.324 0.082 3.853 1.00 0.00 C ATOM 1200 O ARG A 78 7.278 -0.624 2.852 1.00 0.00 O ATOM 1201 CB ARG A 78 6.763 -1.462 5.776 1.00 0.00 C ATOM 1202 CG ARG A 78 8.113 -1.449 6.472 1.00 0.00 C ATOM 1203 CD ARG A 78 8.323 -2.738 7.256 1.00 0.00 C ATOM 1204 NE ARG A 78 8.445 -3.918 6.384 1.00 0.00 N ATOM 1205 CZ ARG A 78 7.708 -5.040 6.459 1.00 0.00 C ATOM 1206 NH1 ARG A 78 6.696 -5.138 7.328 1.00 0.00 N ATOM 1207 NH2 ARG A 78 7.980 -6.054 5.643 1.00 0.00 N ATOM 0 H ARG A 78 4.934 -0.971 3.805 1.00 0.00 H new ATOM 0 HA ARG A 78 6.489 0.664 5.729 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.992 -1.669 6.519 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.749 -2.286 5.063 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.907 -1.332 5.735 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.173 -0.594 7.145 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.223 -2.646 7.865 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.488 -2.882 7.941 1.00 0.00 H new ATOM 0 HE ARG A 78 9.156 -3.881 5.654 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.475 -4.356 7.944 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.145 -5.995 7.374 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.741 -5.976 4.969 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.427 -6.910 5.691 1.00 0.00 H new ATOM 1221 N ARG A 79 8.121 1.097 3.946 1.00 0.00 N ATOM 1222 CA ARG A 79 9.046 1.432 2.892 1.00 0.00 C ATOM 1223 C ARG A 79 10.341 0.681 3.102 1.00 0.00 C ATOM 1224 O ARG A 79 10.936 0.743 4.185 1.00 0.00 O ATOM 1225 CB ARG A 79 9.273 2.948 2.830 1.00 0.00 C ATOM 1226 CG ARG A 79 10.343 3.390 1.835 1.00 0.00 C ATOM 1227 CD ARG A 79 10.384 4.905 1.703 1.00 0.00 C ATOM 1228 NE ARG A 79 10.536 5.583 2.999 1.00 0.00 N ATOM 1229 CZ ARG A 79 10.155 6.839 3.252 1.00 0.00 C ATOM 1230 NH1 ARG A 79 9.706 7.620 2.265 1.00 0.00 N ATOM 1231 NH2 ARG A 79 10.262 7.321 4.477 1.00 0.00 N ATOM 0 H ARG A 79 8.155 1.722 4.751 1.00 0.00 H new ATOM 0 HA ARG A 79 8.626 1.132 1.932 1.00 0.00 H new ATOM 0 HB2 ARG A 79 8.332 3.433 2.571 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.551 3.302 3.823 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.317 3.025 2.160 1.00 0.00 H new ATOM 0 HG3 ARG A 79 10.143 2.943 0.861 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.211 5.187 1.051 1.00 0.00 H new ATOM 0 HD3 ARG A 79 9.468 5.249 1.223 1.00 0.00 H new ATOM 0 HE ARG A 79 10.963 5.056 3.761 1.00 0.00 H new ATOM 0 HH11 ARG A 79 9.653 7.258 1.313 1.00 0.00 H new ATOM 0 HH12 ARG A 79 9.417 8.578 2.464 1.00 0.00 H new ATOM 0 HH21 ARG A 79 10.634 6.735 5.225 1.00 0.00 H new ATOM 0 HH22 ARG A 79 9.973 8.279 4.675 1.00 0.00 H new ATOM 1245 N ILE A 80 10.765 -0.043 2.086 1.00 0.00 N ATOM 1246 CA ILE A 80 11.967 -0.829 2.180 1.00 0.00 C ATOM 1247 C ILE A 80 12.937 -0.412 1.087 1.00 0.00 C ATOM 1248 O ILE A 80 12.528 -0.095 -0.014 1.00 0.00 O ATOM 1249 CB ILE A 80 11.676 -2.378 2.127 1.00 0.00 C ATOM 1250 CG1 ILE A 80 11.154 -2.855 0.766 1.00 0.00 C ATOM 1251 CG2 ILE A 80 10.732 -2.808 3.227 1.00 0.00 C ATOM 1252 CD1 ILE A 80 12.266 -3.332 -0.152 1.00 0.00 C ATOM 0 H ILE A 80 10.290 -0.100 1.185 1.00 0.00 H new ATOM 0 HA ILE A 80 12.420 -0.637 3.152 1.00 0.00 H new ATOM 0 HB ILE A 80 12.642 -2.857 2.283 1.00 0.00 H new ATOM 0 HG12 ILE A 80 10.441 -3.665 0.918 1.00 0.00 H new ATOM 0 HG13 ILE A 80 10.613 -2.041 0.283 1.00 0.00 H new ATOM 0 HG21 ILE A 80 10.556 -3.881 3.157 1.00 0.00 H new ATOM 0 HG22 ILE A 80 11.173 -2.575 4.196 1.00 0.00 H new ATOM 0 HG23 ILE A 80 9.785 -2.278 3.122 1.00 0.00 H new ATOM 0 HD11 ILE A 80 11.840 -3.658 -1.101 1.00 0.00 H new ATOM 0 HD12 ILE A 80 12.966 -2.516 -0.330 1.00 0.00 H new ATOM 0 HD13 ILE A 80 12.791 -4.165 0.315 1.00 0.00 H new ATOM 1264 N PRO A 81 14.215 -0.377 1.372 1.00 0.00 N ATOM 1265 CA PRO A 81 15.227 -0.027 0.377 1.00 0.00 C ATOM 1266 C PRO A 81 15.457 -1.190 -0.602 1.00 0.00 C ATOM 1267 O PRO A 81 15.705 -2.324 -0.181 1.00 0.00 O ATOM 1268 CB PRO A 81 16.466 0.181 1.231 1.00 0.00 C ATOM 1269 CG PRO A 81 16.262 -0.752 2.371 1.00 0.00 C ATOM 1270 CD PRO A 81 14.809 -0.670 2.690 1.00 0.00 C ATOM 0 HA PRO A 81 14.953 0.835 -0.231 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.377 -0.052 0.680 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.552 1.214 1.568 1.00 0.00 H new ATOM 0 HG2 PRO A 81 16.549 -1.769 2.103 1.00 0.00 H new ATOM 0 HG3 PRO A 81 16.870 -0.464 3.229 1.00 0.00 H new ATOM 0 HD2 PRO A 81 14.431 -1.603 3.108 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.595 0.114 3.416 1.00 0.00 H new