USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 472 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 41 LYS NZ :NH3+ 152:sc= 0.639 (180deg=0.083) USER MOD Set 1.2: A 48 MET CE :methyl -162:sc= -2.76 (180deg=-3.43!) USER MOD Set 1.3: A 51 THR OG1 : rot 140:sc= 0.581 USER MOD Set 2.1: A 27 GLN : amide:sc= -2.57 K(o=-3.9,f=-2.9!) USER MOD Set 2.2: A 40 CYS SG : rot 6:sc= -1.35 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.155 K(o=-0.15,f=-2.1!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc=-0.000256 X(o=-0.00026,f=-0.15) USER MOD Single : A 25 TYR OH : rot 30:sc= -0.316 USER MOD Single : A 42 CYS SG : rot 170:sc= -0.259 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.096) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.425 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.0283 K(o=-0.028,f=-1.8!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -3.7! C(o=-3.7!,f=-2.8!) USER MOD Single : A 66 LYS NZ :NH3+ 158:sc= -2.36 (180deg=-2.9!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N TYR A 8 -0.914 -3.944 -7.735 1.00 0.00 N ATOM 67 CA TYR A 8 -0.266 -4.036 -6.432 1.00 0.00 C ATOM 68 C TYR A 8 -1.166 -3.479 -5.334 1.00 0.00 C ATOM 69 O TYR A 8 -1.076 -3.887 -4.176 1.00 0.00 O ATOM 70 CB TYR A 8 1.065 -3.282 -6.447 1.00 0.00 C ATOM 71 CG TYR A 8 1.746 -3.283 -7.797 1.00 0.00 C ATOM 72 CD1 TYR A 8 1.439 -2.322 -8.753 1.00 0.00 C ATOM 73 CD2 TYR A 8 2.697 -4.244 -8.118 1.00 0.00 C ATOM 74 CE1 TYR A 8 2.058 -2.319 -9.988 1.00 0.00 C ATOM 75 CE2 TYR A 8 3.322 -4.248 -9.349 1.00 0.00 C ATOM 76 CZ TYR A 8 2.999 -3.283 -10.281 1.00 0.00 C ATOM 77 OH TYR A 8 3.619 -3.284 -11.510 1.00 0.00 O ATOM 0 HA TYR A 8 -0.078 -5.089 -6.222 1.00 0.00 H new ATOM 0 HB2 TYR A 8 0.893 -2.251 -6.137 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.734 -3.728 -5.711 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.704 -1.564 -8.526 1.00 0.00 H new ATOM 0 HD2 TYR A 8 2.952 -5.001 -7.391 1.00 0.00 H new ATOM 0 HE1 TYR A 8 1.806 -1.566 -10.720 1.00 0.00 H new ATOM 0 HE2 TYR A 8 4.059 -5.002 -9.581 1.00 0.00 H new ATOM 0 HH TYR A 8 4.255 -4.028 -11.555 1.00 0.00 H new ATOM 87 N ILE A 9 -2.035 -2.545 -5.707 1.00 0.00 N ATOM 88 CA ILE A 9 -2.953 -1.933 -4.755 1.00 0.00 C ATOM 89 C ILE A 9 -3.456 -2.955 -3.741 1.00 0.00 C ATOM 90 O ILE A 9 -3.614 -2.648 -2.561 1.00 0.00 O ATOM 91 CB ILE A 9 -4.161 -1.298 -5.468 1.00 0.00 C ATOM 92 CG1 ILE A 9 -3.693 -0.436 -6.642 1.00 0.00 C ATOM 93 CG2 ILE A 9 -4.978 -0.469 -4.489 1.00 0.00 C ATOM 94 CD1 ILE A 9 -2.602 0.546 -6.274 1.00 0.00 C ATOM 0 H ILE A 9 -2.122 -2.196 -6.661 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.396 -1.153 -4.236 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.795 -2.095 -5.857 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.332 -1.087 -7.438 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.546 0.113 -7.041 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.828 -0.027 -5.008 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.338 -1.108 -3.683 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.354 0.323 -4.074 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.320 1.123 -7.155 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.966 1.221 -5.499 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.733 0.002 -5.903 1.00 0.00 H new ATOM 106 N GLY A 10 -3.703 -4.175 -4.211 1.00 0.00 N ATOM 107 CA GLY A 10 -4.184 -5.225 -3.332 1.00 0.00 C ATOM 108 C GLY A 10 -3.057 -6.060 -2.757 1.00 0.00 C ATOM 109 O GLY A 10 -3.176 -6.605 -1.658 1.00 0.00 O ATOM 0 H GLY A 10 -3.579 -4.454 -5.184 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.755 -4.780 -2.517 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.867 -5.872 -3.883 1.00 0.00 H new ATOM 113 N LEU A 11 -1.961 -6.163 -3.500 1.00 0.00 N ATOM 114 CA LEU A 11 -0.807 -6.940 -3.058 1.00 0.00 C ATOM 115 C LEU A 11 -0.481 -6.648 -1.597 1.00 0.00 C ATOM 116 O LEU A 11 -0.566 -7.530 -0.743 1.00 0.00 O ATOM 117 CB LEU A 11 0.407 -6.630 -3.935 1.00 0.00 C ATOM 118 CG LEU A 11 0.501 -7.406 -5.249 1.00 0.00 C ATOM 119 CD1 LEU A 11 1.621 -6.852 -6.117 1.00 0.00 C ATOM 120 CD2 LEU A 11 0.717 -8.888 -4.979 1.00 0.00 C ATOM 0 H LEU A 11 -1.846 -5.719 -4.411 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.055 -7.997 -3.151 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.401 -5.565 -4.165 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.309 -6.826 -3.355 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.440 -7.288 -5.786 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.673 -7.417 -7.048 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.424 -5.803 -6.339 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.569 -6.939 -5.587 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.781 -9.425 -5.926 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.643 -9.025 -4.420 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.119 -9.277 -4.397 1.00 0.00 H new ATOM 132 N VAL A 12 -0.110 -5.403 -1.316 1.00 0.00 N ATOM 133 CA VAL A 12 0.225 -4.993 0.043 1.00 0.00 C ATOM 134 C VAL A 12 -0.740 -5.601 1.054 1.00 0.00 C ATOM 135 O VAL A 12 -0.341 -6.378 1.919 1.00 0.00 O ATOM 136 CB VAL A 12 0.205 -3.460 0.188 1.00 0.00 C ATOM 137 CG1 VAL A 12 0.260 -3.061 1.655 1.00 0.00 C ATOM 138 CG2 VAL A 12 1.358 -2.837 -0.586 1.00 0.00 C ATOM 0 H VAL A 12 -0.034 -4.661 -2.011 1.00 0.00 H new ATOM 0 HA VAL A 12 1.233 -5.356 0.244 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.729 -3.085 -0.231 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.245 -1.974 1.737 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.602 -3.476 2.178 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.176 -3.446 2.103 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.329 -1.753 -0.473 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.303 -3.217 -0.199 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.269 -3.094 -1.641 1.00 0.00 H new ATOM 148 N ASN A 13 -2.014 -5.240 0.938 1.00 0.00 N ATOM 149 CA ASN A 13 -3.038 -5.750 1.843 1.00 0.00 C ATOM 150 C ASN A 13 -2.743 -7.193 2.241 1.00 0.00 C ATOM 151 O ASN A 13 -2.553 -7.497 3.419 1.00 0.00 O ATOM 152 CB ASN A 13 -4.418 -5.663 1.187 1.00 0.00 C ATOM 153 CG ASN A 13 -5.111 -4.344 1.472 1.00 0.00 C ATOM 154 OD1 ASN A 13 -5.843 -4.214 2.453 1.00 0.00 O ATOM 155 ND2 ASN A 13 -4.883 -3.358 0.612 1.00 0.00 N ATOM 0 H ASN A 13 -2.362 -4.597 0.227 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.031 -5.134 2.743 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.314 -5.790 0.109 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -5.040 -6.483 1.546 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -5.322 -2.448 0.751 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.269 -3.511 -0.188 1.00 0.00 H new ATOM 162 N SER A 14 -2.705 -8.079 1.250 1.00 0.00 N ATOM 163 CA SER A 14 -2.436 -9.490 1.497 1.00 0.00 C ATOM 164 C SER A 14 -1.037 -9.684 2.075 1.00 0.00 C ATOM 165 O SER A 14 -0.878 -10.166 3.196 1.00 0.00 O ATOM 166 CB SER A 14 -2.580 -10.293 0.202 1.00 0.00 C ATOM 167 OG SER A 14 -3.851 -10.082 -0.389 1.00 0.00 O ATOM 0 H SER A 14 -2.857 -7.844 0.269 1.00 0.00 H new ATOM 0 HA SER A 14 -3.164 -9.851 2.224 1.00 0.00 H new ATOM 0 HB2 SER A 14 -1.797 -10.003 -0.499 1.00 0.00 H new ATOM 0 HB3 SER A 14 -2.444 -11.354 0.411 1.00 0.00 H new ATOM 0 HG SER A 14 -3.918 -10.604 -1.216 1.00 0.00 H new ATOM 173 N PHE A 15 -0.026 -9.304 1.301 1.00 0.00 N ATOM 174 CA PHE A 15 1.360 -9.436 1.734 1.00 0.00 C ATOM 175 C PHE A 15 1.482 -9.221 3.240 1.00 0.00 C ATOM 176 O PHE A 15 2.010 -10.069 3.958 1.00 0.00 O ATOM 177 CB PHE A 15 2.246 -8.435 0.991 1.00 0.00 C ATOM 178 CG PHE A 15 3.681 -8.866 0.887 1.00 0.00 C ATOM 179 CD1 PHE A 15 4.524 -8.783 1.983 1.00 0.00 C ATOM 180 CD2 PHE A 15 4.187 -9.355 -0.307 1.00 0.00 C ATOM 181 CE1 PHE A 15 5.845 -9.179 1.890 1.00 0.00 C ATOM 182 CE2 PHE A 15 5.507 -9.752 -0.406 1.00 0.00 C ATOM 183 CZ PHE A 15 6.337 -9.665 0.694 1.00 0.00 C ATOM 0 H PHE A 15 -0.141 -8.902 0.371 1.00 0.00 H new ATOM 0 HA PHE A 15 1.693 -10.448 1.501 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.847 -8.283 -0.012 1.00 0.00 H new ATOM 0 HB3 PHE A 15 2.200 -7.473 1.501 1.00 0.00 H new ATOM 0 HD1 PHE A 15 4.145 -8.405 2.921 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.542 -9.427 -1.170 1.00 0.00 H new ATOM 0 HE1 PHE A 15 6.492 -9.109 2.752 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.889 -10.130 -1.343 1.00 0.00 H new ATOM 0 HZ PHE A 15 7.369 -9.976 0.620 1.00 0.00 H new ATOM 193 N ALA A 16 0.990 -8.079 3.710 1.00 0.00 N ATOM 194 CA ALA A 16 1.042 -7.752 5.130 1.00 0.00 C ATOM 195 C ALA A 16 0.521 -8.907 5.978 1.00 0.00 C ATOM 196 O ALA A 16 1.271 -9.515 6.741 1.00 0.00 O ATOM 197 CB ALA A 16 0.244 -6.487 5.409 1.00 0.00 C ATOM 0 H ALA A 16 0.551 -7.365 3.128 1.00 0.00 H new ATOM 0 HA ALA A 16 2.084 -7.578 5.401 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.291 -6.254 6.473 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.663 -5.659 4.837 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.795 -6.640 5.117 1.00 0.00 H new ATOM 203 N GLN A 17 -0.768 -9.202 5.841 1.00 0.00 N ATOM 204 CA GLN A 17 -1.389 -10.283 6.597 1.00 0.00 C ATOM 205 C GLN A 17 -0.561 -11.561 6.499 1.00 0.00 C ATOM 206 O GLN A 17 -0.277 -12.208 7.508 1.00 0.00 O ATOM 207 CB GLN A 17 -2.808 -10.541 6.088 1.00 0.00 C ATOM 208 CG GLN A 17 -3.727 -11.155 7.132 1.00 0.00 C ATOM 209 CD GLN A 17 -4.871 -11.935 6.516 1.00 0.00 C ATOM 210 OE1 GLN A 17 -4.829 -12.295 5.339 1.00 0.00 O ATOM 211 NE2 GLN A 17 -5.901 -12.203 7.310 1.00 0.00 N ATOM 0 H GLN A 17 -1.402 -8.708 5.214 1.00 0.00 H new ATOM 0 HA GLN A 17 -1.436 -9.980 7.643 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -3.239 -9.600 5.745 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -2.760 -11.203 5.224 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.148 -11.816 7.777 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -4.130 -10.365 7.765 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.894 -11.885 8.279 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -6.699 -12.727 6.951 1.00 0.00 H new ATOM 220 N LYS A 18 -0.176 -11.918 5.279 1.00 0.00 N ATOM 221 CA LYS A 18 0.620 -13.118 5.049 1.00 0.00 C ATOM 222 C LYS A 18 1.894 -13.095 5.887 1.00 0.00 C ATOM 223 O LYS A 18 2.318 -14.120 6.420 1.00 0.00 O ATOM 224 CB LYS A 18 0.975 -13.242 3.565 1.00 0.00 C ATOM 225 CG LYS A 18 -0.076 -13.971 2.747 1.00 0.00 C ATOM 226 CD LYS A 18 0.516 -14.562 1.478 1.00 0.00 C ATOM 227 CE LYS A 18 1.377 -15.779 1.779 1.00 0.00 C ATOM 228 NZ LYS A 18 0.575 -17.034 1.802 1.00 0.00 N ATOM 0 H LYS A 18 -0.402 -11.394 4.434 1.00 0.00 H new ATOM 0 HA LYS A 18 0.025 -13.981 5.348 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.119 -12.244 3.150 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.926 -13.767 3.470 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.519 -14.766 3.347 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.880 -13.282 2.488 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.287 -14.843 0.797 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.116 -13.807 0.969 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.162 -15.863 1.027 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.870 -15.646 2.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.198 -17.840 2.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.158 -16.964 2.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.124 -17.175 0.875 1.00 0.00 H new ATOM 242 N LYS A 19 2.501 -11.918 6.000 1.00 0.00 N ATOM 243 CA LYS A 19 3.726 -11.760 6.776 1.00 0.00 C ATOM 244 C LYS A 19 3.412 -11.337 8.208 1.00 0.00 C ATOM 245 O LYS A 19 4.280 -10.835 8.922 1.00 0.00 O ATOM 246 CB LYS A 19 4.641 -10.726 6.117 1.00 0.00 C ATOM 247 CG LYS A 19 5.605 -11.324 5.106 1.00 0.00 C ATOM 248 CD LYS A 19 4.900 -11.680 3.808 1.00 0.00 C ATOM 249 CE LYS A 19 5.774 -12.555 2.922 1.00 0.00 C ATOM 250 NZ LYS A 19 5.644 -13.998 3.267 1.00 0.00 N ATOM 0 H LYS A 19 2.165 -11.059 5.564 1.00 0.00 H new ATOM 0 HA LYS A 19 4.236 -12.723 6.804 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.028 -9.974 5.621 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.211 -10.212 6.891 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.407 -10.615 4.903 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.068 -12.217 5.527 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.968 -12.200 4.029 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.636 -10.767 3.274 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.498 -12.405 1.878 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.815 -12.250 3.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.255 -14.561 2.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.931 -14.146 4.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.655 -14.296 3.145 1.00 0.00 H new ATOM 264 N LYS A 20 2.166 -11.545 8.622 1.00 0.00 N ATOM 265 CA LYS A 20 1.738 -11.188 9.969 1.00 0.00 C ATOM 266 C LYS A 20 2.157 -9.762 10.313 1.00 0.00 C ATOM 267 O LYS A 20 2.403 -9.440 11.477 1.00 0.00 O ATOM 268 CB LYS A 20 2.328 -12.164 10.989 1.00 0.00 C ATOM 269 CG LYS A 20 1.645 -13.521 10.997 1.00 0.00 C ATOM 270 CD LYS A 20 0.406 -13.517 11.876 1.00 0.00 C ATOM 271 CE LYS A 20 0.759 -13.743 13.338 1.00 0.00 C ATOM 272 NZ LYS A 20 -0.356 -13.351 14.245 1.00 0.00 N ATOM 0 H LYS A 20 1.435 -11.959 8.043 1.00 0.00 H new ATOM 0 HA LYS A 20 0.650 -11.247 10.005 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.388 -12.301 10.777 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.256 -11.724 11.984 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.369 -13.796 9.979 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.343 -14.278 11.354 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.114 -12.565 11.769 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.281 -14.295 11.542 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.002 -14.794 13.495 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.651 -13.169 13.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.076 -13.520 15.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.572 -12.342 14.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.200 -13.917 14.023 1.00 0.00 H new ATOM 286 N LEU A 21 2.234 -8.911 9.296 1.00 0.00 N ATOM 287 CA LEU A 21 2.621 -7.518 9.492 1.00 0.00 C ATOM 288 C LEU A 21 1.395 -6.637 9.705 1.00 0.00 C ATOM 289 O LEU A 21 0.259 -7.102 9.605 1.00 0.00 O ATOM 290 CB LEU A 21 3.421 -7.017 8.288 1.00 0.00 C ATOM 291 CG LEU A 21 4.888 -7.444 8.231 1.00 0.00 C ATOM 292 CD1 LEU A 21 5.437 -7.282 6.822 1.00 0.00 C ATOM 293 CD2 LEU A 21 5.716 -6.640 9.224 1.00 0.00 C ATOM 0 H LEU A 21 2.034 -9.161 8.328 1.00 0.00 H new ATOM 0 HA LEU A 21 3.245 -7.462 10.384 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.927 -7.363 7.380 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.380 -5.928 8.278 1.00 0.00 H new ATOM 0 HG LEU A 21 4.951 -8.497 8.504 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.482 -7.591 6.801 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.862 -7.901 6.134 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.361 -6.237 6.520 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.758 -6.957 9.170 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.646 -5.580 8.981 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.338 -6.807 10.233 1.00 0.00 H new ATOM 305 N SER A 22 1.632 -5.362 9.998 1.00 0.00 N ATOM 306 CA SER A 22 0.547 -4.416 10.227 1.00 0.00 C ATOM 307 C SER A 22 0.594 -3.279 9.210 1.00 0.00 C ATOM 308 O SER A 22 1.661 -2.742 8.911 1.00 0.00 O ATOM 309 CB SER A 22 0.626 -3.850 11.646 1.00 0.00 C ATOM 310 OG SER A 22 -0.664 -3.538 12.143 1.00 0.00 O ATOM 0 H SER A 22 2.566 -4.961 10.082 1.00 0.00 H new ATOM 0 HA SER A 22 -0.397 -4.948 10.108 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.107 -4.574 12.303 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.247 -2.954 11.650 1.00 0.00 H new ATOM 0 HG SER A 22 -0.587 -3.180 13.052 1.00 0.00 H new ATOM 316 N VAL A 23 -0.571 -2.917 8.682 1.00 0.00 N ATOM 317 CA VAL A 23 -0.664 -1.844 7.699 1.00 0.00 C ATOM 318 C VAL A 23 -1.538 -0.704 8.212 1.00 0.00 C ATOM 319 O VAL A 23 -2.678 -0.918 8.622 1.00 0.00 O ATOM 320 CB VAL A 23 -1.237 -2.354 6.364 1.00 0.00 C ATOM 321 CG1 VAL A 23 -2.756 -2.279 6.371 1.00 0.00 C ATOM 322 CG2 VAL A 23 -0.662 -1.560 5.200 1.00 0.00 C ATOM 0 H VAL A 23 -1.463 -3.351 8.918 1.00 0.00 H new ATOM 0 HA VAL A 23 0.349 -1.477 7.534 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.949 -3.398 6.240 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.143 -2.644 5.419 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.147 -2.894 7.181 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.069 -1.245 6.517 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.078 -1.934 4.264 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.918 -0.507 5.316 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.422 -1.670 5.185 1.00 0.00 H new ATOM 332 N ASN A 24 -0.994 0.508 8.186 1.00 0.00 N ATOM 333 CA ASN A 24 -1.724 1.683 8.648 1.00 0.00 C ATOM 334 C ASN A 24 -1.950 2.668 7.505 1.00 0.00 C ATOM 335 O ASN A 24 -1.007 3.073 6.825 1.00 0.00 O ATOM 336 CB ASN A 24 -0.961 2.369 9.783 1.00 0.00 C ATOM 337 CG ASN A 24 -1.881 3.116 10.729 1.00 0.00 C ATOM 338 OD1 ASN A 24 -2.846 2.555 11.247 1.00 0.00 O ATOM 339 ND2 ASN A 24 -1.585 4.390 10.959 1.00 0.00 N ATOM 0 H ASN A 24 -0.051 0.702 7.850 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.695 1.354 9.018 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.398 1.622 10.342 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.236 3.065 9.361 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.168 4.944 11.587 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.775 4.815 10.508 1.00 0.00 H new ATOM 346 N TYR A 25 -3.206 3.049 7.300 1.00 0.00 N ATOM 347 CA TYR A 25 -3.557 3.985 6.238 1.00 0.00 C ATOM 348 C TYR A 25 -4.061 5.303 6.818 1.00 0.00 C ATOM 349 O TYR A 25 -5.216 5.411 7.228 1.00 0.00 O ATOM 350 CB TYR A 25 -4.622 3.377 5.325 1.00 0.00 C ATOM 351 CG TYR A 25 -4.057 2.464 4.260 1.00 0.00 C ATOM 352 CD1 TYR A 25 -3.881 1.107 4.501 1.00 0.00 C ATOM 353 CD2 TYR A 25 -3.698 2.959 3.012 1.00 0.00 C ATOM 354 CE1 TYR A 25 -3.365 0.270 3.531 1.00 0.00 C ATOM 355 CE2 TYR A 25 -3.182 2.129 2.036 1.00 0.00 C ATOM 356 CZ TYR A 25 -3.017 0.785 2.300 1.00 0.00 C ATOM 357 OH TYR A 25 -2.502 -0.045 1.331 1.00 0.00 O ATOM 0 H TYR A 25 -3.998 2.724 7.855 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.659 4.186 5.654 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.333 2.817 5.933 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -5.179 4.181 4.844 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.152 0.700 5.464 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -3.825 4.011 2.802 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -3.235 -0.782 3.736 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.909 2.530 1.071 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.867 -0.947 1.446 1.00 0.00 H new ATOM 367 N GLU A 26 -3.185 6.303 6.848 1.00 0.00 N ATOM 368 CA GLU A 26 -3.540 7.614 7.378 1.00 0.00 C ATOM 369 C GLU A 26 -3.958 8.559 6.255 1.00 0.00 C ATOM 370 O GLU A 26 -3.207 8.781 5.306 1.00 0.00 O ATOM 371 CB GLU A 26 -2.364 8.212 8.152 1.00 0.00 C ATOM 372 CG GLU A 26 -2.785 9.138 9.280 1.00 0.00 C ATOM 373 CD GLU A 26 -2.986 8.405 10.592 1.00 0.00 C ATOM 374 OE1 GLU A 26 -2.258 7.421 10.838 1.00 0.00 O ATOM 375 OE2 GLU A 26 -3.871 8.815 11.372 1.00 0.00 O ATOM 0 H GLU A 26 -2.225 6.230 6.512 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.384 7.487 8.056 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.762 7.402 8.564 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.727 8.763 7.460 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.028 9.911 9.412 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.711 9.643 9.004 1.00 0.00 H new ATOM 382 N GLN A 27 -5.162 9.111 6.372 1.00 0.00 N ATOM 383 CA GLN A 27 -5.680 10.031 5.367 1.00 0.00 C ATOM 384 C GLN A 27 -5.294 11.470 5.694 1.00 0.00 C ATOM 385 O GLN A 27 -5.074 11.814 6.856 1.00 0.00 O ATOM 386 CB GLN A 27 -7.202 9.908 5.269 1.00 0.00 C ATOM 387 CG GLN A 27 -7.670 8.584 4.688 1.00 0.00 C ATOM 388 CD GLN A 27 -7.516 7.433 5.663 1.00 0.00 C ATOM 389 OE1 GLN A 27 -6.473 6.779 5.710 1.00 0.00 O ATOM 390 NE2 GLN A 27 -8.556 7.178 6.448 1.00 0.00 N ATOM 0 H GLN A 27 -5.796 8.937 7.152 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.238 9.766 4.406 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.633 10.031 6.263 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -7.585 10.721 4.652 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -8.716 8.670 4.395 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -7.102 8.367 3.783 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -9.401 7.745 6.376 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -8.510 6.415 7.123 1.00 0.00 H new ATOM 553 N PHE A 38 -6.794 14.908 -1.738 1.00 0.00 N ATOM 554 CA PHE A 38 -6.792 13.713 -0.902 1.00 0.00 C ATOM 555 C PHE A 38 -5.439 13.011 -0.962 1.00 0.00 C ATOM 556 O PHE A 38 -4.984 12.606 -2.032 1.00 0.00 O ATOM 557 CB PHE A 38 -7.898 12.753 -1.345 1.00 0.00 C ATOM 558 CG PHE A 38 -9.281 13.246 -1.032 1.00 0.00 C ATOM 559 CD1 PHE A 38 -9.771 14.399 -1.625 1.00 0.00 C ATOM 560 CD2 PHE A 38 -10.092 12.558 -0.144 1.00 0.00 C ATOM 561 CE1 PHE A 38 -11.043 14.856 -1.340 1.00 0.00 C ATOM 562 CE2 PHE A 38 -11.366 13.010 0.145 1.00 0.00 C ATOM 563 CZ PHE A 38 -11.842 14.161 -0.453 1.00 0.00 C ATOM 0 HA PHE A 38 -6.978 14.019 0.128 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -7.815 12.587 -2.419 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -7.746 11.789 -0.860 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -9.150 14.947 -2.319 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -9.725 11.659 0.328 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.412 15.755 -1.810 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -11.989 12.464 0.838 1.00 0.00 H new ATOM 0 HZ PHE A 38 -12.837 14.517 -0.227 1.00 0.00 H new ATOM 573 N ILE A 39 -4.800 12.870 0.195 1.00 0.00 N ATOM 574 CA ILE A 39 -3.500 12.217 0.275 1.00 0.00 C ATOM 575 C ILE A 39 -3.468 11.193 1.405 1.00 0.00 C ATOM 576 O ILE A 39 -3.689 11.530 2.569 1.00 0.00 O ATOM 577 CB ILE A 39 -2.368 13.239 0.491 1.00 0.00 C ATOM 578 CG1 ILE A 39 -2.178 14.095 -0.763 1.00 0.00 C ATOM 579 CG2 ILE A 39 -1.074 12.527 0.855 1.00 0.00 C ATOM 580 CD1 ILE A 39 -1.289 15.298 -0.544 1.00 0.00 C ATOM 0 H ILE A 39 -5.162 13.200 1.090 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.343 11.710 -0.677 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.643 13.895 1.317 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.752 13.477 -1.553 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.153 14.433 -1.114 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.284 13.263 1.004 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.218 11.957 1.773 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.792 11.850 0.049 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.199 15.858 -1.475 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.725 15.937 0.224 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.301 14.967 -0.223 1.00 0.00 H new ATOM 592 N CYS A 40 -3.190 9.942 1.055 1.00 0.00 N ATOM 593 CA CYS A 40 -3.127 8.868 2.040 1.00 0.00 C ATOM 594 C CYS A 40 -1.683 8.453 2.300 1.00 0.00 C ATOM 595 O CYS A 40 -0.802 8.676 1.470 1.00 0.00 O ATOM 596 CB CYS A 40 -3.939 7.663 1.563 1.00 0.00 C ATOM 597 SG CYS A 40 -4.438 6.539 2.888 1.00 0.00 S ATOM 0 H CYS A 40 -3.005 9.646 0.097 1.00 0.00 H new ATOM 0 HA CYS A 40 -3.553 9.238 2.973 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.831 8.020 1.049 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.351 7.108 0.832 1.00 0.00 H new ATOM 0 HG CYS A 40 -4.105 7.048 4.037 1.00 0.00 H new ATOM 603 N LYS A 41 -1.447 7.847 3.459 1.00 0.00 N ATOM 604 CA LYS A 41 -0.110 7.400 3.830 1.00 0.00 C ATOM 605 C LYS A 41 -0.131 5.948 4.296 1.00 0.00 C ATOM 606 O LYS A 41 -0.855 5.596 5.229 1.00 0.00 O ATOM 607 CB LYS A 41 0.460 8.293 4.935 1.00 0.00 C ATOM 608 CG LYS A 41 0.901 9.661 4.445 1.00 0.00 C ATOM 609 CD LYS A 41 2.280 9.609 3.809 1.00 0.00 C ATOM 610 CE LYS A 41 2.947 10.976 3.811 1.00 0.00 C ATOM 611 NZ LYS A 41 4.346 10.911 3.306 1.00 0.00 N ATOM 0 H LYS A 41 -2.165 7.654 4.158 1.00 0.00 H new ATOM 0 HA LYS A 41 0.527 7.471 2.948 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.293 8.420 5.712 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.310 7.790 5.395 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.179 10.039 3.721 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.911 10.362 5.280 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.904 8.898 4.349 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.196 9.246 2.785 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.369 11.663 3.193 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.945 11.380 4.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.604 11.824 2.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.991 10.704 4.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.422 10.160 2.590 1.00 0.00 H new ATOM 625 N CYS A 42 0.666 5.110 3.643 1.00 0.00 N ATOM 626 CA CYS A 42 0.738 3.695 3.991 1.00 0.00 C ATOM 627 C CYS A 42 1.961 3.410 4.857 1.00 0.00 C ATOM 628 O CYS A 42 3.087 3.357 4.362 1.00 0.00 O ATOM 629 CB CYS A 42 0.783 2.838 2.725 1.00 0.00 C ATOM 630 SG CYS A 42 1.091 1.083 3.032 1.00 0.00 S ATOM 0 H CYS A 42 1.271 5.385 2.870 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.156 3.440 4.561 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.164 2.942 2.195 1.00 0.00 H new ATOM 0 HB3 CYS A 42 1.562 3.223 2.066 1.00 0.00 H new ATOM 0 HG CYS A 42 0.900 0.411 1.936 1.00 0.00 H new ATOM 636 N LYS A 43 1.733 3.229 6.153 1.00 0.00 N ATOM 637 CA LYS A 43 2.815 2.950 7.089 1.00 0.00 C ATOM 638 C LYS A 43 2.716 1.526 7.628 1.00 0.00 C ATOM 639 O LYS A 43 1.674 1.120 8.144 1.00 0.00 O ATOM 640 CB LYS A 43 2.785 3.948 8.249 1.00 0.00 C ATOM 641 CG LYS A 43 3.620 5.192 8.002 1.00 0.00 C ATOM 642 CD LYS A 43 3.357 6.258 9.053 1.00 0.00 C ATOM 643 CE LYS A 43 4.580 7.133 9.278 1.00 0.00 C ATOM 644 NZ LYS A 43 5.561 6.490 10.196 1.00 0.00 N ATOM 0 H LYS A 43 0.807 3.271 6.579 1.00 0.00 H new ATOM 0 HA LYS A 43 3.759 3.053 6.554 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.753 4.244 8.436 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.143 3.454 9.152 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.678 4.928 8.007 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.396 5.592 7.013 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.517 6.878 8.741 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.071 5.783 9.991 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.060 7.340 8.321 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.269 8.092 9.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.380 7.118 10.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.111 6.316 11.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.877 5.587 9.789 1.00 0.00 H new ATOM 658 N ILE A 44 3.804 0.774 7.505 1.00 0.00 N ATOM 659 CA ILE A 44 3.839 -0.602 7.982 1.00 0.00 C ATOM 660 C ILE A 44 4.626 -0.714 9.284 1.00 0.00 C ATOM 661 O ILE A 44 5.854 -0.642 9.286 1.00 0.00 O ATOM 662 CB ILE A 44 4.462 -1.545 6.936 1.00 0.00 C ATOM 663 CG1 ILE A 44 3.848 -1.291 5.558 1.00 0.00 C ATOM 664 CG2 ILE A 44 4.268 -2.997 7.348 1.00 0.00 C ATOM 665 CD1 ILE A 44 2.489 -1.930 5.375 1.00 0.00 C ATOM 0 H ILE A 44 4.673 1.095 7.079 1.00 0.00 H new ATOM 0 HA ILE A 44 2.806 -0.900 8.159 1.00 0.00 H new ATOM 0 HB ILE A 44 5.532 -1.344 6.880 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.759 -0.216 5.401 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.525 -1.670 4.792 1.00 0.00 H new ATOM 0 HG21 ILE A 44 4.714 -3.651 6.598 1.00 0.00 H new ATOM 0 HG22 ILE A 44 4.748 -3.169 8.311 1.00 0.00 H new ATOM 0 HG23 ILE A 44 3.203 -3.213 7.430 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.114 -1.709 4.376 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.575 -3.009 5.499 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.797 -1.533 6.118 1.00 0.00 H new ATOM 677 N GLY A 45 3.910 -0.892 10.389 1.00 0.00 N ATOM 678 CA GLY A 45 4.558 -1.013 11.682 1.00 0.00 C ATOM 679 C GLY A 45 5.211 0.281 12.126 1.00 0.00 C ATOM 680 O GLY A 45 6.374 0.289 12.529 1.00 0.00 O ATOM 0 H GLY A 45 2.892 -0.955 10.412 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.823 -1.320 12.426 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.311 -1.799 11.635 1.00 0.00 H new ATOM 684 N GLN A 46 4.463 1.376 12.051 1.00 0.00 N ATOM 685 CA GLN A 46 4.978 2.682 12.446 1.00 0.00 C ATOM 686 C GLN A 46 6.140 3.102 11.552 1.00 0.00 C ATOM 687 O GLN A 46 6.992 3.895 11.954 1.00 0.00 O ATOM 688 CB GLN A 46 5.427 2.655 13.908 1.00 0.00 C ATOM 689 CG GLN A 46 4.320 3.002 14.891 1.00 0.00 C ATOM 690 CD GLN A 46 4.158 4.497 15.083 1.00 0.00 C ATOM 691 OE1 GLN A 46 5.110 5.198 15.426 1.00 0.00 O ATOM 692 NE2 GLN A 46 2.946 4.994 14.862 1.00 0.00 N ATOM 0 H GLN A 46 3.498 1.385 11.720 1.00 0.00 H new ATOM 0 HA GLN A 46 4.175 3.411 12.333 1.00 0.00 H new ATOM 0 HB2 GLN A 46 5.812 1.663 14.143 1.00 0.00 H new ATOM 0 HB3 GLN A 46 6.251 3.356 14.039 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.379 2.581 14.536 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.535 2.537 15.853 1.00 0.00 H new ATOM 0 HE21 GLN A 46 2.185 4.376 14.579 1.00 0.00 H new ATOM 0 HE22 GLN A 46 2.776 5.993 14.975 1.00 0.00 H new ATOM 701 N THR A 47 6.170 2.564 10.337 1.00 0.00 N ATOM 702 CA THR A 47 7.229 2.881 9.386 1.00 0.00 C ATOM 703 C THR A 47 6.651 3.370 8.063 1.00 0.00 C ATOM 704 O THR A 47 5.696 2.794 7.542 1.00 0.00 O ATOM 705 CB THR A 47 8.130 1.660 9.121 1.00 0.00 C ATOM 706 OG1 THR A 47 8.899 1.356 10.289 1.00 0.00 O ATOM 707 CG2 THR A 47 9.062 1.921 7.947 1.00 0.00 C ATOM 0 H THR A 47 5.473 1.906 9.988 1.00 0.00 H new ATOM 0 HA THR A 47 7.828 3.675 9.832 1.00 0.00 H new ATOM 0 HB THR A 47 7.492 0.811 8.876 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.468 0.578 10.113 1.00 0.00 H new ATOM 0 HG21 THR A 47 9.689 1.045 7.778 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.473 2.123 7.053 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.693 2.782 8.168 1.00 0.00 H new ATOM 715 N MET A 48 7.237 4.434 7.524 1.00 0.00 N ATOM 716 CA MET A 48 6.780 4.999 6.259 1.00 0.00 C ATOM 717 C MET A 48 7.215 4.126 5.086 1.00 0.00 C ATOM 718 O MET A 48 8.406 4.000 4.801 1.00 0.00 O ATOM 719 CB MET A 48 7.325 6.417 6.083 1.00 0.00 C ATOM 720 CG MET A 48 6.919 7.066 4.770 1.00 0.00 C ATOM 721 SD MET A 48 5.285 7.826 4.847 1.00 0.00 S ATOM 722 CE MET A 48 4.251 6.459 4.330 1.00 0.00 C ATOM 0 H MET A 48 8.029 4.922 7.943 1.00 0.00 H new ATOM 0 HA MET A 48 5.691 5.036 6.278 1.00 0.00 H new ATOM 0 HB2 MET A 48 6.975 7.037 6.909 1.00 0.00 H new ATOM 0 HB3 MET A 48 8.413 6.389 6.144 1.00 0.00 H new ATOM 0 HG2 MET A 48 7.655 7.823 4.500 1.00 0.00 H new ATOM 0 HG3 MET A 48 6.930 6.315 3.980 1.00 0.00 H new ATOM 0 HE1 MET A 48 3.277 6.837 4.019 1.00 0.00 H new ATOM 0 HE2 MET A 48 4.723 5.942 3.495 1.00 0.00 H new ATOM 0 HE3 MET A 48 4.123 5.765 5.161 1.00 0.00 H new ATOM 732 N TYR A 49 6.242 3.525 4.410 1.00 0.00 N ATOM 733 CA TYR A 49 6.525 2.661 3.270 1.00 0.00 C ATOM 734 C TYR A 49 6.187 3.364 1.958 1.00 0.00 C ATOM 735 O TYR A 49 7.062 3.608 1.128 1.00 0.00 O ATOM 736 CB TYR A 49 5.732 1.358 3.381 1.00 0.00 C ATOM 737 CG TYR A 49 6.466 0.265 4.125 1.00 0.00 C ATOM 738 CD1 TYR A 49 7.077 0.518 5.347 1.00 0.00 C ATOM 739 CD2 TYR A 49 6.550 -1.021 3.604 1.00 0.00 C ATOM 740 CE1 TYR A 49 7.750 -0.477 6.029 1.00 0.00 C ATOM 741 CE2 TYR A 49 7.219 -2.023 4.280 1.00 0.00 C ATOM 742 CZ TYR A 49 7.817 -1.746 5.492 1.00 0.00 C ATOM 743 OH TYR A 49 8.486 -2.741 6.168 1.00 0.00 O ATOM 0 H TYR A 49 5.251 3.620 4.632 1.00 0.00 H new ATOM 0 HA TYR A 49 7.591 2.432 3.276 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.787 1.559 3.886 1.00 0.00 H new ATOM 0 HB3 TYR A 49 5.488 1.004 2.379 1.00 0.00 H new ATOM 0 HD1 TYR A 49 7.025 1.510 5.771 1.00 0.00 H new ATOM 0 HD2 TYR A 49 6.084 -1.241 2.655 1.00 0.00 H new ATOM 0 HE1 TYR A 49 8.221 -0.263 6.977 1.00 0.00 H new ATOM 0 HE2 TYR A 49 7.274 -3.017 3.862 1.00 0.00 H new ATOM 0 HH TYR A 49 8.438 -3.574 5.655 1.00 0.00 H new ATOM 753 N GLY A 50 4.910 3.687 1.778 1.00 0.00 N ATOM 754 CA GLY A 50 4.478 4.359 0.567 1.00 0.00 C ATOM 755 C GLY A 50 3.538 5.514 0.848 1.00 0.00 C ATOM 756 O GLY A 50 2.948 5.597 1.926 1.00 0.00 O ATOM 0 H GLY A 50 4.167 3.495 2.450 1.00 0.00 H new ATOM 0 HA2 GLY A 50 5.351 4.728 0.029 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.981 3.641 -0.086 1.00 0.00 H new ATOM 760 N THR A 51 3.398 6.411 -0.123 1.00 0.00 N ATOM 761 CA THR A 51 2.525 7.569 0.025 1.00 0.00 C ATOM 762 C THR A 51 1.619 7.734 -1.189 1.00 0.00 C ATOM 763 O THR A 51 2.089 7.776 -2.325 1.00 0.00 O ATOM 764 CB THR A 51 3.337 8.862 0.226 1.00 0.00 C ATOM 765 OG1 THR A 51 4.267 8.694 1.301 1.00 0.00 O ATOM 766 CG2 THR A 51 2.418 10.037 0.523 1.00 0.00 C ATOM 0 H THR A 51 3.878 6.358 -1.021 1.00 0.00 H new ATOM 0 HA THR A 51 1.913 7.392 0.909 1.00 0.00 H new ATOM 0 HB THR A 51 3.881 9.070 -0.695 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.118 9.120 1.067 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.014 10.939 0.661 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.730 10.181 -0.310 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.850 9.834 1.431 1.00 0.00 H new ATOM 774 N GLY A 52 0.316 7.829 -0.942 1.00 0.00 N ATOM 775 CA GLY A 52 -0.635 7.989 -2.026 1.00 0.00 C ATOM 776 C GLY A 52 -1.176 9.402 -2.118 1.00 0.00 C ATOM 777 O GLY A 52 -1.452 10.036 -1.099 1.00 0.00 O ATOM 0 H GLY A 52 -0.098 7.798 -0.010 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.155 7.725 -2.968 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.463 7.295 -1.884 1.00 0.00 H new ATOM 781 N SER A 53 -1.327 9.898 -3.342 1.00 0.00 N ATOM 782 CA SER A 53 -1.834 11.248 -3.563 1.00 0.00 C ATOM 783 C SER A 53 -2.807 11.277 -4.737 1.00 0.00 C ATOM 784 O SER A 53 -2.454 10.920 -5.860 1.00 0.00 O ATOM 785 CB SER A 53 -0.676 12.213 -3.822 1.00 0.00 C ATOM 786 OG SER A 53 0.467 11.853 -3.066 1.00 0.00 O ATOM 0 H SER A 53 -1.106 9.386 -4.196 1.00 0.00 H new ATOM 0 HA SER A 53 -2.366 11.562 -2.665 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.429 12.212 -4.884 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.980 13.228 -3.566 1.00 0.00 H new ATOM 0 HG SER A 53 1.193 12.484 -3.251 1.00 0.00 H new ATOM 792 N GLY A 54 -4.037 11.705 -4.468 1.00 0.00 N ATOM 793 CA GLY A 54 -5.044 11.773 -5.511 1.00 0.00 C ATOM 794 C GLY A 54 -6.186 12.704 -5.154 1.00 0.00 C ATOM 795 O GLY A 54 -6.141 13.392 -4.134 1.00 0.00 O ATOM 0 H GLY A 54 -4.354 12.006 -3.546 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.580 12.110 -6.438 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.438 10.774 -5.697 1.00 0.00 H new ATOM 799 N VAL A 55 -7.214 12.727 -5.997 1.00 0.00 N ATOM 800 CA VAL A 55 -8.373 13.581 -5.766 1.00 0.00 C ATOM 801 C VAL A 55 -9.489 12.814 -5.065 1.00 0.00 C ATOM 802 O VAL A 55 -10.364 13.407 -4.433 1.00 0.00 O ATOM 803 CB VAL A 55 -8.914 14.161 -7.085 1.00 0.00 C ATOM 804 CG1 VAL A 55 -7.832 14.951 -7.805 1.00 0.00 C ATOM 805 CG2 VAL A 55 -9.456 13.051 -7.973 1.00 0.00 C ATOM 0 H VAL A 55 -7.268 12.164 -6.846 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.041 14.399 -5.127 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.733 14.842 -6.853 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.233 15.353 -8.735 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.497 15.771 -7.170 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.990 14.296 -8.027 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -9.834 13.480 -8.901 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.658 12.343 -8.199 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -10.264 12.534 -7.456 1.00 0.00 H new ATOM 815 N THR A 56 -9.453 11.490 -5.180 1.00 0.00 N ATOM 816 CA THR A 56 -10.461 10.641 -4.558 1.00 0.00 C ATOM 817 C THR A 56 -9.834 9.701 -3.535 1.00 0.00 C ATOM 818 O THR A 56 -8.774 9.122 -3.776 1.00 0.00 O ATOM 819 CB THR A 56 -11.218 9.806 -5.609 1.00 0.00 C ATOM 820 OG1 THR A 56 -11.383 10.566 -6.811 1.00 0.00 O ATOM 821 CG2 THR A 56 -12.580 9.379 -5.081 1.00 0.00 C ATOM 0 H THR A 56 -8.736 10.983 -5.699 1.00 0.00 H new ATOM 0 HA THR A 56 -11.165 11.304 -4.054 1.00 0.00 H new ATOM 0 HB THR A 56 -10.632 8.912 -5.823 1.00 0.00 H new ATOM 0 HG1 THR A 56 -11.863 10.028 -7.475 1.00 0.00 H new ATOM 0 HG21 THR A 56 -13.096 8.791 -5.840 1.00 0.00 H new ATOM 0 HG22 THR A 56 -12.449 8.777 -4.182 1.00 0.00 H new ATOM 0 HG23 THR A 56 -13.171 10.263 -4.843 1.00 0.00 H new ATOM 829 N LYS A 57 -10.494 9.553 -2.392 1.00 0.00 N ATOM 830 CA LYS A 57 -10.003 8.681 -1.331 1.00 0.00 C ATOM 831 C LYS A 57 -9.451 7.381 -1.907 1.00 0.00 C ATOM 832 O LYS A 57 -8.273 7.068 -1.737 1.00 0.00 O ATOM 833 CB LYS A 57 -11.123 8.375 -0.335 1.00 0.00 C ATOM 834 CG LYS A 57 -11.212 9.372 0.807 1.00 0.00 C ATOM 835 CD LYS A 57 -11.962 8.795 1.995 1.00 0.00 C ATOM 836 CE LYS A 57 -11.470 9.388 3.307 1.00 0.00 C ATOM 837 NZ LYS A 57 -12.194 10.642 3.655 1.00 0.00 N ATOM 0 H LYS A 57 -11.371 10.026 -2.176 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.196 9.200 -0.813 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.075 8.358 -0.866 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.969 7.377 0.076 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.208 9.663 1.116 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.714 10.276 0.463 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.028 8.991 1.883 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.837 7.712 2.014 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.601 8.659 4.107 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.402 9.593 3.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.830 11.015 4.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.048 11.347 2.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.210 10.441 3.749 1.00 0.00 H new ATOM 851 N GLN A 58 -10.309 6.630 -2.590 1.00 0.00 N ATOM 852 CA GLN A 58 -9.905 5.365 -3.192 1.00 0.00 C ATOM 853 C GLN A 58 -8.631 5.534 -4.012 1.00 0.00 C ATOM 854 O GLN A 58 -7.636 4.848 -3.780 1.00 0.00 O ATOM 855 CB GLN A 58 -11.026 4.815 -4.075 1.00 0.00 C ATOM 856 CG GLN A 58 -11.007 3.302 -4.212 1.00 0.00 C ATOM 857 CD GLN A 58 -11.678 2.602 -3.046 1.00 0.00 C ATOM 858 OE1 GLN A 58 -11.242 2.722 -1.901 1.00 0.00 O ATOM 859 NE2 GLN A 58 -12.746 1.866 -3.332 1.00 0.00 N ATOM 0 H GLN A 58 -11.288 6.875 -2.740 1.00 0.00 H new ATOM 0 HA GLN A 58 -9.705 4.657 -2.388 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -11.987 5.122 -3.661 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -10.949 5.262 -5.066 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -11.507 3.018 -5.138 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -9.975 2.961 -4.290 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -13.073 1.794 -4.296 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -13.239 1.372 -2.588 1.00 0.00 H new ATOM 868 N GLU A 59 -8.670 6.452 -4.973 1.00 0.00 N ATOM 869 CA GLU A 59 -7.518 6.710 -5.829 1.00 0.00 C ATOM 870 C GLU A 59 -6.226 6.718 -5.016 1.00 0.00 C ATOM 871 O GLU A 59 -5.375 5.843 -5.174 1.00 0.00 O ATOM 872 CB GLU A 59 -7.683 8.046 -6.557 1.00 0.00 C ATOM 873 CG GLU A 59 -6.553 8.356 -7.524 1.00 0.00 C ATOM 874 CD GLU A 59 -6.723 7.663 -8.861 1.00 0.00 C ATOM 875 OE1 GLU A 59 -7.759 7.888 -9.520 1.00 0.00 O ATOM 876 OE2 GLU A 59 -5.817 6.894 -9.249 1.00 0.00 O ATOM 0 H GLU A 59 -9.486 7.029 -5.178 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.459 5.908 -6.565 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.626 8.038 -7.104 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.749 8.846 -5.820 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.500 9.433 -7.682 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.605 8.052 -7.079 1.00 0.00 H new ATOM 883 N ALA A 60 -6.088 7.712 -4.146 1.00 0.00 N ATOM 884 CA ALA A 60 -4.903 7.834 -3.306 1.00 0.00 C ATOM 885 C ALA A 60 -4.717 6.596 -2.436 1.00 0.00 C ATOM 886 O ALA A 60 -3.763 5.838 -2.612 1.00 0.00 O ATOM 887 CB ALA A 60 -4.995 9.082 -2.440 1.00 0.00 C ATOM 0 H ALA A 60 -6.783 8.445 -4.004 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.034 7.922 -3.958 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.103 9.160 -1.818 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.071 9.963 -3.078 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.877 9.019 -1.803 1.00 0.00 H new ATOM 893 N LYS A 61 -5.634 6.397 -1.495 1.00 0.00 N ATOM 894 CA LYS A 61 -5.573 5.251 -0.596 1.00 0.00 C ATOM 895 C LYS A 61 -5.104 4.003 -1.337 1.00 0.00 C ATOM 896 O LYS A 61 -4.486 3.116 -0.748 1.00 0.00 O ATOM 897 CB LYS A 61 -6.943 4.998 0.035 1.00 0.00 C ATOM 898 CG LYS A 61 -6.873 4.303 1.384 1.00 0.00 C ATOM 899 CD LYS A 61 -8.089 4.620 2.239 1.00 0.00 C ATOM 900 CE LYS A 61 -9.292 3.784 1.828 1.00 0.00 C ATOM 901 NZ LYS A 61 -10.313 3.714 2.910 1.00 0.00 N ATOM 0 H LYS A 61 -6.429 7.016 -1.335 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.854 5.476 0.191 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.461 5.950 0.153 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.541 4.392 -0.646 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.802 3.225 1.236 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.968 4.613 1.907 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.856 4.434 3.288 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.332 5.679 2.149 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.742 4.210 0.931 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.964 2.777 1.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.117 3.136 2.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.891 3.284 3.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.645 4.673 3.137 1.00 0.00 H new ATOM 915 N GLN A 62 -5.401 3.942 -2.631 1.00 0.00 N ATOM 916 CA GLN A 62 -5.009 2.803 -3.452 1.00 0.00 C ATOM 917 C GLN A 62 -3.534 2.887 -3.832 1.00 0.00 C ATOM 918 O GLN A 62 -2.727 2.052 -3.422 1.00 0.00 O ATOM 919 CB GLN A 62 -5.870 2.736 -4.714 1.00 0.00 C ATOM 920 CG GLN A 62 -7.165 1.962 -4.526 1.00 0.00 C ATOM 921 CD GLN A 62 -7.663 1.337 -5.814 1.00 0.00 C ATOM 922 OE1 GLN A 62 -8.028 2.039 -6.758 1.00 0.00 O ATOM 923 NE2 GLN A 62 -7.682 0.010 -5.860 1.00 0.00 N ATOM 0 H GLN A 62 -5.912 4.668 -3.133 1.00 0.00 H new ATOM 0 HA GLN A 62 -5.163 1.896 -2.867 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.106 3.750 -5.037 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.292 2.273 -5.514 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -7.012 1.180 -3.783 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.930 2.631 -4.132 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.370 -0.533 -5.055 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -8.008 -0.467 -6.701 1.00 0.00 H new ATOM 932 N LEU A 63 -3.189 3.901 -4.619 1.00 0.00 N ATOM 933 CA LEU A 63 -1.810 4.095 -5.055 1.00 0.00 C ATOM 934 C LEU A 63 -0.840 3.915 -3.892 1.00 0.00 C ATOM 935 O LEU A 63 0.163 3.212 -4.011 1.00 0.00 O ATOM 936 CB LEU A 63 -1.640 5.487 -5.666 1.00 0.00 C ATOM 937 CG LEU A 63 -2.380 5.739 -6.980 1.00 0.00 C ATOM 938 CD1 LEU A 63 -2.752 7.208 -7.111 1.00 0.00 C ATOM 939 CD2 LEU A 63 -1.534 5.294 -8.164 1.00 0.00 C ATOM 0 H LEU A 63 -3.844 4.601 -4.968 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.584 3.343 -5.811 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.974 6.225 -4.937 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.577 5.662 -5.832 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.298 5.152 -6.974 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.278 7.368 -8.052 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.398 7.495 -6.281 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.847 7.815 -7.093 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.077 5.481 -9.090 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.598 5.853 -8.173 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.320 4.229 -8.078 1.00 0.00 H new ATOM 951 N ALA A 64 -1.148 4.554 -2.768 1.00 0.00 N ATOM 952 CA ALA A 64 -0.306 4.461 -1.582 1.00 0.00 C ATOM 953 C ALA A 64 0.317 3.074 -1.458 1.00 0.00 C ATOM 954 O ALA A 64 1.486 2.938 -1.097 1.00 0.00 O ATOM 955 CB ALA A 64 -1.112 4.793 -0.335 1.00 0.00 C ATOM 0 H ALA A 64 -1.974 5.141 -2.654 1.00 0.00 H new ATOM 0 HA ALA A 64 0.502 5.186 -1.683 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.470 4.720 0.543 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.504 5.807 -0.414 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.940 4.091 -0.239 1.00 0.00 H new ATOM 961 N ALA A 65 -0.472 2.048 -1.758 1.00 0.00 N ATOM 962 CA ALA A 65 0.003 0.672 -1.681 1.00 0.00 C ATOM 963 C ALA A 65 1.029 0.383 -2.772 1.00 0.00 C ATOM 964 O ALA A 65 2.084 -0.195 -2.510 1.00 0.00 O ATOM 965 CB ALA A 65 -1.166 -0.297 -1.784 1.00 0.00 C ATOM 0 H ALA A 65 -1.443 2.143 -2.057 1.00 0.00 H new ATOM 0 HA ALA A 65 0.490 0.536 -0.715 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.796 -1.321 -1.725 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.863 -0.115 -0.966 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.678 -0.150 -2.735 1.00 0.00 H new ATOM 971 N LYS A 66 0.713 0.789 -3.997 1.00 0.00 N ATOM 972 CA LYS A 66 1.606 0.575 -5.129 1.00 0.00 C ATOM 973 C LYS A 66 3.042 0.940 -4.766 1.00 0.00 C ATOM 974 O LYS A 66 3.989 0.313 -5.237 1.00 0.00 O ATOM 975 CB LYS A 66 1.147 1.403 -6.332 1.00 0.00 C ATOM 976 CG LYS A 66 2.050 1.266 -7.545 1.00 0.00 C ATOM 977 CD LYS A 66 1.520 2.060 -8.727 1.00 0.00 C ATOM 978 CE LYS A 66 0.587 1.222 -9.588 1.00 0.00 C ATOM 979 NZ LYS A 66 -0.661 0.859 -8.861 1.00 0.00 N ATOM 0 H LYS A 66 -0.156 1.269 -4.231 1.00 0.00 H new ATOM 0 HA LYS A 66 1.573 -0.483 -5.390 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.136 1.101 -6.606 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.098 2.453 -6.043 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.053 1.611 -7.294 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.134 0.215 -7.820 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.990 2.942 -8.366 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.354 2.415 -9.332 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.333 1.775 -10.492 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.101 0.314 -9.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.408 0.630 -9.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.482 0.033 -8.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.965 1.660 -8.272 1.00 0.00 H new ATOM 993 N GLU A 67 3.194 1.958 -3.924 1.00 0.00 N ATOM 994 CA GLU A 67 4.515 2.405 -3.498 1.00 0.00 C ATOM 995 C GLU A 67 5.051 1.523 -2.374 1.00 0.00 C ATOM 996 O GLU A 67 6.227 1.160 -2.363 1.00 0.00 O ATOM 997 CB GLU A 67 4.459 3.862 -3.035 1.00 0.00 C ATOM 998 CG GLU A 67 5.827 4.509 -2.897 1.00 0.00 C ATOM 999 CD GLU A 67 5.746 6.012 -2.711 1.00 0.00 C ATOM 1000 OE1 GLU A 67 4.788 6.623 -3.228 1.00 0.00 O ATOM 1001 OE2 GLU A 67 6.641 6.577 -2.048 1.00 0.00 O ATOM 0 H GLU A 67 2.420 2.488 -3.524 1.00 0.00 H new ATOM 0 HA GLU A 67 5.190 2.328 -4.351 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.864 4.437 -3.744 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.945 3.910 -2.075 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.349 4.069 -2.047 1.00 0.00 H new ATOM 0 HG3 GLU A 67 6.420 4.288 -3.784 1.00 0.00 H new ATOM 1008 N ALA A 68 4.180 1.183 -1.430 1.00 0.00 N ATOM 1009 CA ALA A 68 4.565 0.343 -0.302 1.00 0.00 C ATOM 1010 C ALA A 68 5.072 -1.014 -0.777 1.00 0.00 C ATOM 1011 O ALA A 68 6.075 -1.523 -0.275 1.00 0.00 O ATOM 1012 CB ALA A 68 3.390 0.166 0.649 1.00 0.00 C ATOM 0 H ALA A 68 3.203 1.476 -1.424 1.00 0.00 H new ATOM 0 HA ALA A 68 5.377 0.840 0.229 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.691 -0.463 1.487 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.074 1.140 1.022 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.562 -0.306 0.120 1.00 0.00 H new ATOM 1018 N TYR A 69 4.374 -1.596 -1.745 1.00 0.00 N ATOM 1019 CA TYR A 69 4.753 -2.897 -2.286 1.00 0.00 C ATOM 1020 C TYR A 69 6.228 -2.917 -2.672 1.00 0.00 C ATOM 1021 O TYR A 69 6.988 -3.771 -2.217 1.00 0.00 O ATOM 1022 CB TYR A 69 3.890 -3.238 -3.502 1.00 0.00 C ATOM 1023 CG TYR A 69 4.109 -4.639 -4.026 1.00 0.00 C ATOM 1024 CD1 TYR A 69 3.753 -5.748 -3.268 1.00 0.00 C ATOM 1025 CD2 TYR A 69 4.673 -4.855 -5.277 1.00 0.00 C ATOM 1026 CE1 TYR A 69 3.952 -7.031 -3.742 1.00 0.00 C ATOM 1027 CE2 TYR A 69 4.874 -6.133 -5.760 1.00 0.00 C ATOM 1028 CZ TYR A 69 4.512 -7.218 -4.988 1.00 0.00 C ATOM 1029 OH TYR A 69 4.712 -8.493 -5.465 1.00 0.00 O ATOM 0 H TYR A 69 3.542 -1.188 -2.172 1.00 0.00 H new ATOM 0 HA TYR A 69 4.589 -3.646 -1.512 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.840 -3.118 -3.237 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.101 -2.524 -4.298 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.313 -5.605 -2.292 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.959 -4.008 -5.883 1.00 0.00 H new ATOM 0 HE1 TYR A 69 3.670 -7.882 -3.140 1.00 0.00 H new ATOM 0 HE2 TYR A 69 5.312 -6.282 -6.736 1.00 0.00 H new ATOM 0 HH TYR A 69 5.114 -8.449 -6.358 1.00 0.00 H new ATOM 1039 N GLN A 70 6.625 -1.969 -3.516 1.00 0.00 N ATOM 1040 CA GLN A 70 8.010 -1.878 -3.964 1.00 0.00 C ATOM 1041 C GLN A 70 8.970 -1.920 -2.780 1.00 0.00 C ATOM 1042 O GLN A 70 9.940 -2.678 -2.780 1.00 0.00 O ATOM 1043 CB GLN A 70 8.225 -0.592 -4.765 1.00 0.00 C ATOM 1044 CG GLN A 70 7.304 -0.463 -5.968 1.00 0.00 C ATOM 1045 CD GLN A 70 7.605 0.764 -6.805 1.00 0.00 C ATOM 1046 OE1 GLN A 70 7.744 1.869 -6.279 1.00 0.00 O ATOM 1047 NE2 GLN A 70 7.709 0.576 -8.115 1.00 0.00 N ATOM 0 H GLN A 70 6.008 -1.254 -3.903 1.00 0.00 H new ATOM 0 HA GLN A 70 8.215 -2.736 -4.604 1.00 0.00 H new ATOM 0 HB2 GLN A 70 8.073 0.265 -4.108 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.260 -0.554 -5.105 1.00 0.00 H new ATOM 0 HG2 GLN A 70 7.397 -1.354 -6.589 1.00 0.00 H new ATOM 0 HG3 GLN A 70 6.270 -0.420 -5.626 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.586 -0.357 -8.508 1.00 0.00 H new ATOM 0 HE22 GLN A 70 7.912 1.365 -8.729 1.00 0.00 H new ATOM 1056 N LYS A 71 8.693 -1.101 -1.771 1.00 0.00 N ATOM 1057 CA LYS A 71 9.531 -1.044 -0.579 1.00 0.00 C ATOM 1058 C LYS A 71 9.813 -2.444 -0.045 1.00 0.00 C ATOM 1059 O LYS A 71 10.923 -2.738 0.401 1.00 0.00 O ATOM 1060 CB LYS A 71 8.855 -0.200 0.504 1.00 0.00 C ATOM 1061 CG LYS A 71 9.568 -0.247 1.845 1.00 0.00 C ATOM 1062 CD LYS A 71 10.813 0.625 1.846 1.00 0.00 C ATOM 1063 CE LYS A 71 10.457 2.104 1.847 1.00 0.00 C ATOM 1064 NZ LYS A 71 11.658 2.963 2.039 1.00 0.00 N ATOM 0 H LYS A 71 7.894 -0.467 -1.755 1.00 0.00 H new ATOM 0 HA LYS A 71 10.479 -0.581 -0.853 1.00 0.00 H new ATOM 0 HB2 LYS A 71 8.802 0.835 0.166 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.829 -0.545 0.635 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.889 0.085 2.631 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.843 -1.276 2.076 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.419 0.395 2.722 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.420 0.396 0.970 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.973 2.362 0.905 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.737 2.304 2.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.374 3.963 2.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 12.106 2.735 2.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 12.334 2.791 1.268 1.00 0.00 H new ATOM 1078 N LEU A 72 8.803 -3.306 -0.095 1.00 0.00 N ATOM 1079 CA LEU A 72 8.943 -4.677 0.383 1.00 0.00 C ATOM 1080 C LEU A 72 9.879 -5.475 -0.519 1.00 0.00 C ATOM 1081 O LEU A 72 10.842 -6.083 -0.050 1.00 0.00 O ATOM 1082 CB LEU A 72 7.575 -5.358 0.446 1.00 0.00 C ATOM 1083 CG LEU A 72 6.774 -5.137 1.730 1.00 0.00 C ATOM 1084 CD1 LEU A 72 5.322 -5.540 1.529 1.00 0.00 C ATOM 1085 CD2 LEU A 72 7.391 -5.913 2.884 1.00 0.00 C ATOM 0 H LEU A 72 7.878 -3.080 -0.462 1.00 0.00 H new ATOM 0 HA LEU A 72 9.373 -4.644 1.384 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.978 -5.008 -0.396 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.718 -6.430 0.311 1.00 0.00 H new ATOM 0 HG LEU A 72 6.804 -4.076 1.976 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.768 -5.376 2.453 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.885 -4.939 0.732 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.271 -6.595 1.258 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.808 -5.744 3.789 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.393 -6.977 2.647 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.415 -5.575 3.044 1.00 0.00 H new ATOM 1097 N LEU A 73 9.592 -5.467 -1.816 1.00 0.00 N ATOM 1098 CA LEU A 73 10.410 -6.188 -2.786 1.00 0.00 C ATOM 1099 C LEU A 73 11.890 -5.875 -2.589 1.00 0.00 C ATOM 1100 O LEU A 73 12.755 -6.698 -2.891 1.00 0.00 O ATOM 1101 CB LEU A 73 9.985 -5.826 -4.210 1.00 0.00 C ATOM 1102 CG LEU A 73 8.502 -6.007 -4.534 1.00 0.00 C ATOM 1103 CD1 LEU A 73 8.155 -5.322 -5.847 1.00 0.00 C ATOM 1104 CD2 LEU A 73 8.145 -7.485 -4.592 1.00 0.00 C ATOM 0 H LEU A 73 8.799 -4.969 -2.221 1.00 0.00 H new ATOM 0 HA LEU A 73 10.260 -7.256 -2.629 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.252 -4.785 -4.394 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.565 -6.432 -4.906 1.00 0.00 H new ATOM 0 HG LEU A 73 7.917 -5.543 -3.740 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.095 -5.461 -6.061 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.373 -4.257 -5.770 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.748 -5.756 -6.652 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.086 -7.595 -4.824 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.738 -7.972 -5.366 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.355 -7.948 -3.628 1.00 0.00 H new ATOM 1116 N LYS A 74 12.174 -4.682 -2.080 1.00 0.00 N ATOM 1117 CA LYS A 74 13.549 -4.260 -1.839 1.00 0.00 C ATOM 1118 C LYS A 74 14.034 -4.740 -0.475 1.00 0.00 C ATOM 1119 O LYS A 74 14.963 -5.543 -0.383 1.00 0.00 O ATOM 1120 CB LYS A 74 13.660 -2.736 -1.925 1.00 0.00 C ATOM 1121 CG LYS A 74 13.323 -2.178 -3.296 1.00 0.00 C ATOM 1122 CD LYS A 74 14.547 -2.132 -4.195 1.00 0.00 C ATOM 1123 CE LYS A 74 14.412 -1.061 -5.267 1.00 0.00 C ATOM 1124 NZ LYS A 74 14.770 0.289 -4.750 1.00 0.00 N ATOM 0 H LYS A 74 11.470 -3.989 -1.826 1.00 0.00 H new ATOM 0 HA LYS A 74 14.180 -4.707 -2.607 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.994 -2.289 -1.187 1.00 0.00 H new ATOM 0 HB3 LYS A 74 14.675 -2.439 -1.660 1.00 0.00 H new ATOM 0 HG2 LYS A 74 12.552 -2.793 -3.761 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.910 -1.175 -3.190 1.00 0.00 H new ATOM 0 HD2 LYS A 74 15.434 -1.936 -3.593 1.00 0.00 H new ATOM 0 HD3 LYS A 74 14.690 -3.104 -4.667 1.00 0.00 H new ATOM 0 HE2 LYS A 74 15.055 -1.309 -6.111 1.00 0.00 H new ATOM 0 HE3 LYS A 74 13.388 -1.047 -5.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 14.665 0.991 -5.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 14.140 0.537 -3.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 15.755 0.283 -4.418 1.00 0.00 H new