USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=13 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 27 GLN : amide:sc= -1.06 K(o=-1.1,f=-2.2!) USER MOD Set 1.2: A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 25 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 42 CYS SG : rot 100:sc= 0.117 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= -1.24 K(o=-1.2,f=-5.5!) 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+ -168:sc= 0 (180deg=-0.0738) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.169 K(o=-0.17,f=-1.7!) USER MOD Single : A 40 CYS SG : rot -130:sc= -1.35 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.0823 X(o=-0.082,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -160:sc= -0.533 USER MOD Single : A 53 SER OG : rot 34:sc= 0.164 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.747 USER MOD Single : A 58 GLN : amide:sc= -0.0579 K(o=-0.058,f=-1.3!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.239 K(o=-0.24,f=-1.5!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.213 K(o=-0.21,f=-2) 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 -0.979 -4.186 -7.915 1.00 0.00 N ATOM 67 CA TYR A 8 -0.304 -4.111 -6.624 1.00 0.00 C ATOM 68 C TYR A 8 -1.227 -3.526 -5.560 1.00 0.00 C ATOM 69 O TYR A 8 -1.133 -3.873 -4.382 1.00 0.00 O ATOM 70 CB TYR A 8 0.964 -3.263 -6.738 1.00 0.00 C ATOM 71 CG TYR A 8 1.606 -3.314 -8.106 1.00 0.00 C ATOM 72 CD1 TYR A 8 1.171 -2.482 -9.130 1.00 0.00 C ATOM 73 CD2 TYR A 8 2.647 -4.195 -8.374 1.00 0.00 C ATOM 74 CE1 TYR A 8 1.754 -2.525 -10.382 1.00 0.00 C ATOM 75 CE2 TYR A 8 3.237 -4.244 -9.622 1.00 0.00 C ATOM 76 CZ TYR A 8 2.787 -3.407 -10.623 1.00 0.00 C ATOM 77 OH TYR A 8 3.371 -3.454 -11.868 1.00 0.00 O ATOM 0 HA TYR A 8 -0.031 -5.123 -6.325 1.00 0.00 H new ATOM 0 HB2 TYR A 8 0.721 -2.228 -6.498 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.686 -3.602 -5.994 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.363 -1.790 -8.944 1.00 0.00 H new ATOM 0 HD2 TYR A 8 3.001 -4.852 -7.593 1.00 0.00 H new ATOM 0 HE1 TYR A 8 1.403 -1.872 -11.167 1.00 0.00 H new ATOM 0 HE2 TYR A 8 4.046 -4.933 -9.813 1.00 0.00 H new ATOM 0 HH TYR A 8 4.083 -4.127 -11.870 1.00 0.00 H new ATOM 87 N ILE A 9 -2.119 -2.636 -5.983 1.00 0.00 N ATOM 88 CA ILE A 9 -3.060 -2.003 -5.068 1.00 0.00 C ATOM 89 C ILE A 9 -3.477 -2.963 -3.959 1.00 0.00 C ATOM 90 O ILE A 9 -3.577 -2.577 -2.795 1.00 0.00 O ATOM 91 CB ILE A 9 -4.319 -1.511 -5.806 1.00 0.00 C ATOM 92 CG1 ILE A 9 -3.927 -0.716 -7.053 1.00 0.00 C ATOM 93 CG2 ILE A 9 -5.180 -0.665 -4.880 1.00 0.00 C ATOM 94 CD1 ILE A 9 -2.910 0.371 -6.782 1.00 0.00 C ATOM 0 H ILE A 9 -2.209 -2.337 -6.954 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.548 -1.146 -4.631 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.901 -2.378 -6.119 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.524 -1.401 -7.799 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.822 -0.266 -7.483 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -6.066 -0.325 -5.417 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.484 -1.261 -4.020 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.608 0.198 -4.540 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.679 0.893 -7.711 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.317 1.078 -6.060 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.000 -0.074 -6.380 1.00 0.00 H new ATOM 106 N GLY A 10 -3.719 -4.217 -4.328 1.00 0.00 N ATOM 107 CA GLY A 10 -4.121 -5.214 -3.353 1.00 0.00 C ATOM 108 C GLY A 10 -2.943 -5.987 -2.795 1.00 0.00 C ATOM 109 O GLY A 10 -2.975 -6.442 -1.651 1.00 0.00 O ATOM 0 H GLY A 10 -3.644 -4.560 -5.285 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.651 -4.725 -2.535 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.821 -5.909 -3.816 1.00 0.00 H new ATOM 113 N LEU A 11 -1.901 -6.139 -3.604 1.00 0.00 N ATOM 114 CA LEU A 11 -0.706 -6.865 -3.186 1.00 0.00 C ATOM 115 C LEU A 11 -0.359 -6.551 -1.734 1.00 0.00 C ATOM 116 O LEU A 11 -0.272 -7.450 -0.897 1.00 0.00 O ATOM 117 CB LEU A 11 0.474 -6.511 -4.092 1.00 0.00 C ATOM 118 CG LEU A 11 0.568 -7.289 -5.405 1.00 0.00 C ATOM 119 CD1 LEU A 11 1.714 -6.763 -6.256 1.00 0.00 C ATOM 120 CD2 LEU A 11 0.743 -8.776 -5.133 1.00 0.00 C ATOM 0 H LEU A 11 -1.859 -5.769 -4.554 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.912 -7.932 -3.269 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.421 -5.448 -4.326 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.396 -6.669 -3.533 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.362 -7.148 -5.956 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.766 -7.329 -7.186 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.547 -5.710 -6.480 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.652 -6.874 -5.712 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.808 -9.314 -6.079 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.657 -8.936 -4.561 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.110 -9.145 -4.564 1.00 0.00 H new ATOM 132 N VAL A 12 -0.164 -5.270 -1.441 1.00 0.00 N ATOM 133 CA VAL A 12 0.170 -4.836 -0.090 1.00 0.00 C ATOM 134 C VAL A 12 -0.802 -5.417 0.930 1.00 0.00 C ATOM 135 O VAL A 12 -0.415 -6.199 1.797 1.00 0.00 O ATOM 136 CB VAL A 12 0.161 -3.300 0.025 1.00 0.00 C ATOM 137 CG1 VAL A 12 0.138 -2.875 1.485 1.00 0.00 C ATOM 138 CG2 VAL A 12 1.363 -2.705 -0.693 1.00 0.00 C ATOM 0 H VAL A 12 -0.232 -4.514 -2.122 1.00 0.00 H new ATOM 0 HA VAL A 12 1.175 -5.202 0.120 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.743 -2.922 -0.453 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.132 -1.787 1.547 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.757 -3.271 1.965 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.023 -3.262 1.991 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.341 -1.619 -0.602 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.280 -3.088 -0.246 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.331 -2.981 -1.747 1.00 0.00 H new ATOM 148 N ASN A 13 -2.069 -5.030 0.819 1.00 0.00 N ATOM 149 CA ASN A 13 -3.099 -5.513 1.732 1.00 0.00 C ATOM 150 C ASN A 13 -2.826 -6.956 2.145 1.00 0.00 C ATOM 151 O ASN A 13 -2.534 -7.235 3.308 1.00 0.00 O ATOM 152 CB ASN A 13 -4.478 -5.409 1.078 1.00 0.00 C ATOM 153 CG ASN A 13 -5.144 -4.072 1.341 1.00 0.00 C ATOM 154 OD1 ASN A 13 -5.626 -3.812 2.443 1.00 0.00 O ATOM 155 ND2 ASN A 13 -5.172 -3.216 0.326 1.00 0.00 N ATOM 0 H ASN A 13 -2.407 -4.384 0.106 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.080 -4.889 2.625 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.379 -5.557 0.003 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -5.116 -6.209 1.453 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -5.606 -2.300 0.443 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.760 -3.474 -0.570 1.00 0.00 H new ATOM 162 N SER A 14 -2.923 -7.869 1.184 1.00 0.00 N ATOM 163 CA SER A 14 -2.690 -9.284 1.449 1.00 0.00 C ATOM 164 C SER A 14 -1.299 -9.506 2.035 1.00 0.00 C ATOM 165 O SER A 14 -1.153 -10.057 3.126 1.00 0.00 O ATOM 166 CB SER A 14 -2.849 -10.098 0.163 1.00 0.00 C ATOM 167 OG SER A 14 -2.879 -11.487 0.439 1.00 0.00 O ATOM 0 H SER A 14 -3.161 -7.655 0.216 1.00 0.00 H new ATOM 0 HA SER A 14 -3.429 -9.618 2.177 1.00 0.00 H new ATOM 0 HB2 SER A 14 -3.768 -9.805 -0.345 1.00 0.00 H new ATOM 0 HB3 SER A 14 -2.025 -9.877 -0.515 1.00 0.00 H new ATOM 0 HG SER A 14 -2.983 -11.985 -0.399 1.00 0.00 H new ATOM 173 N PHE A 15 -0.279 -9.072 1.302 1.00 0.00 N ATOM 174 CA PHE A 15 1.101 -9.223 1.748 1.00 0.00 C ATOM 175 C PHE A 15 1.201 -9.086 3.264 1.00 0.00 C ATOM 176 O PHE A 15 1.613 -10.016 3.956 1.00 0.00 O ATOM 177 CB PHE A 15 1.995 -8.182 1.070 1.00 0.00 C ATOM 178 CG PHE A 15 3.450 -8.554 1.063 1.00 0.00 C ATOM 179 CD1 PHE A 15 4.248 -8.303 2.168 1.00 0.00 C ATOM 180 CD2 PHE A 15 4.020 -9.155 -0.047 1.00 0.00 C ATOM 181 CE1 PHE A 15 5.587 -8.645 2.164 1.00 0.00 C ATOM 182 CE2 PHE A 15 5.359 -9.499 -0.057 1.00 0.00 C ATOM 183 CZ PHE A 15 6.143 -9.244 1.051 1.00 0.00 C ATOM 0 H PHE A 15 -0.382 -8.613 0.397 1.00 0.00 H new ATOM 0 HA PHE A 15 1.440 -10.221 1.468 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.660 -8.041 0.043 1.00 0.00 H new ATOM 0 HB3 PHE A 15 1.875 -7.225 1.579 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.819 -7.835 3.042 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.411 -9.357 -0.916 1.00 0.00 H new ATOM 0 HE1 PHE A 15 6.198 -8.444 3.031 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.791 -9.966 -0.930 1.00 0.00 H new ATOM 0 HZ PHE A 15 7.189 -9.513 1.047 1.00 0.00 H new ATOM 193 N ALA A 16 0.822 -7.918 3.773 1.00 0.00 N ATOM 194 CA ALA A 16 0.868 -7.659 5.207 1.00 0.00 C ATOM 195 C ALA A 16 0.281 -8.826 5.994 1.00 0.00 C ATOM 196 O ALA A 16 0.989 -9.497 6.744 1.00 0.00 O ATOM 197 CB ALA A 16 0.125 -6.372 5.534 1.00 0.00 C ATOM 0 H ALA A 16 0.480 -7.137 3.214 1.00 0.00 H new ATOM 0 HA ALA A 16 1.912 -7.547 5.499 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.167 -6.190 6.608 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.590 -5.539 5.007 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.915 -6.463 5.222 1.00 0.00 H new ATOM 203 N GLN A 17 -1.015 -9.060 5.819 1.00 0.00 N ATOM 204 CA GLN A 17 -1.696 -10.145 6.516 1.00 0.00 C ATOM 205 C GLN A 17 -0.878 -11.430 6.452 1.00 0.00 C ATOM 206 O GLN A 17 -0.603 -12.056 7.476 1.00 0.00 O ATOM 207 CB GLN A 17 -3.081 -10.378 5.911 1.00 0.00 C ATOM 208 CG GLN A 17 -4.108 -10.875 6.915 1.00 0.00 C ATOM 209 CD GLN A 17 -4.493 -9.816 7.929 1.00 0.00 C ATOM 210 OE1 GLN A 17 -3.676 -8.975 8.307 1.00 0.00 O ATOM 211 NE2 GLN A 17 -5.743 -9.850 8.376 1.00 0.00 N ATOM 0 H GLN A 17 -1.615 -8.513 5.201 1.00 0.00 H new ATOM 0 HA GLN A 17 -1.808 -9.858 7.562 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -3.437 -9.447 5.470 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -2.997 -11.102 5.101 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -5.000 -11.205 6.383 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -3.709 -11.744 7.437 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.387 -10.564 8.036 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -6.059 -9.162 9.059 1.00 0.00 H new ATOM 220 N LYS A 18 -0.490 -11.820 5.242 1.00 0.00 N ATOM 221 CA LYS A 18 0.298 -13.031 5.043 1.00 0.00 C ATOM 222 C LYS A 18 1.519 -13.041 5.957 1.00 0.00 C ATOM 223 O LYS A 18 1.881 -14.077 6.515 1.00 0.00 O ATOM 224 CB LYS A 18 0.739 -13.142 3.582 1.00 0.00 C ATOM 225 CG LYS A 18 -0.410 -13.361 2.615 1.00 0.00 C ATOM 226 CD LYS A 18 0.091 -13.658 1.211 1.00 0.00 C ATOM 227 CE LYS A 18 0.793 -12.453 0.604 1.00 0.00 C ATOM 228 NZ LYS A 18 1.225 -12.711 -0.798 1.00 0.00 N ATOM 0 H LYS A 18 -0.709 -11.314 4.384 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.328 -13.888 5.293 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.270 -12.233 3.302 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.446 -13.966 3.486 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.028 -14.188 2.964 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.045 -12.475 2.596 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.777 -14.504 1.240 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.747 -13.949 0.578 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.123 -11.594 0.625 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.662 -12.195 1.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.699 -11.866 -1.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.884 -13.515 -0.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.394 -12.932 -1.382 1.00 0.00 H new ATOM 242 N LYS A 19 2.150 -11.881 6.107 1.00 0.00 N ATOM 243 CA LYS A 19 3.330 -11.755 6.955 1.00 0.00 C ATOM 244 C LYS A 19 2.943 -11.311 8.362 1.00 0.00 C ATOM 245 O LYS A 19 3.759 -10.748 9.093 1.00 0.00 O ATOM 246 CB LYS A 19 4.316 -10.756 6.346 1.00 0.00 C ATOM 247 CG LYS A 19 5.117 -11.322 5.186 1.00 0.00 C ATOM 248 CD LYS A 19 6.487 -10.671 5.085 1.00 0.00 C ATOM 249 CE LYS A 19 7.290 -11.241 3.925 1.00 0.00 C ATOM 250 NZ LYS A 19 8.705 -10.778 3.950 1.00 0.00 N ATOM 0 H LYS A 19 1.864 -11.014 5.652 1.00 0.00 H new ATOM 0 HA LYS A 19 3.807 -12.733 7.020 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.767 -9.879 6.004 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.004 -10.419 7.121 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.233 -12.398 5.313 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.570 -11.168 4.256 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.371 -9.595 4.955 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.033 -10.823 6.016 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.263 -12.330 3.965 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.828 -10.945 2.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.219 -11.188 3.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.732 -9.740 3.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.154 -11.082 4.837 1.00 0.00 H new ATOM 264 N LYS A 20 1.694 -11.568 8.736 1.00 0.00 N ATOM 265 CA LYS A 20 1.200 -11.198 10.057 1.00 0.00 C ATOM 266 C LYS A 20 1.720 -9.824 10.467 1.00 0.00 C ATOM 267 O LYS A 20 2.071 -9.603 11.627 1.00 0.00 O ATOM 268 CB LYS A 20 1.618 -12.244 11.093 1.00 0.00 C ATOM 269 CG LYS A 20 0.904 -13.575 10.935 1.00 0.00 C ATOM 270 CD LYS A 20 0.939 -14.382 12.223 1.00 0.00 C ATOM 271 CE LYS A 20 2.189 -15.244 12.307 1.00 0.00 C ATOM 272 NZ LYS A 20 2.110 -16.425 11.403 1.00 0.00 N ATOM 0 H LYS A 20 1.005 -12.031 8.143 1.00 0.00 H new ATOM 0 HA LYS A 20 0.112 -11.156 10.012 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.693 -12.407 11.019 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.423 -11.853 12.091 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.131 -13.401 10.641 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.371 -14.147 10.133 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.903 -13.707 13.078 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.054 -15.016 12.281 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.061 -14.645 12.046 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.329 -15.581 13.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.876 -17.090 11.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.192 -16.898 11.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.207 -16.113 10.415 1.00 0.00 H new ATOM 286 N LEU A 21 1.765 -8.904 9.511 1.00 0.00 N ATOM 287 CA LEU A 21 2.241 -7.550 9.773 1.00 0.00 C ATOM 288 C LEU A 21 1.073 -6.599 10.014 1.00 0.00 C ATOM 289 O LEU A 21 -0.085 -6.955 9.796 1.00 0.00 O ATOM 290 CB LEU A 21 3.087 -7.050 8.601 1.00 0.00 C ATOM 291 CG LEU A 21 4.533 -7.546 8.558 1.00 0.00 C ATOM 292 CD1 LEU A 21 5.024 -7.632 7.121 1.00 0.00 C ATOM 293 CD2 LEU A 21 5.435 -6.635 9.378 1.00 0.00 C ATOM 0 H LEU A 21 1.478 -9.070 8.547 1.00 0.00 H new ATOM 0 HA LEU A 21 2.856 -7.575 10.672 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.596 -7.343 7.673 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.098 -5.960 8.626 1.00 0.00 H new ATOM 0 HG LEU A 21 4.568 -8.545 8.993 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.055 -7.987 7.109 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.395 -8.325 6.563 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.974 -6.646 6.660 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.460 -7.004 9.336 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.396 -5.624 8.973 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.096 -6.624 10.414 1.00 0.00 H new ATOM 305 N SER A 22 1.385 -5.388 10.463 1.00 0.00 N ATOM 306 CA SER A 22 0.361 -4.386 10.735 1.00 0.00 C ATOM 307 C SER A 22 0.422 -3.256 9.712 1.00 0.00 C ATOM 308 O SER A 22 1.400 -2.510 9.651 1.00 0.00 O ATOM 309 CB SER A 22 0.532 -3.821 12.146 1.00 0.00 C ATOM 310 OG SER A 22 -0.213 -4.572 13.090 1.00 0.00 O ATOM 0 H SER A 22 2.339 -5.077 10.646 1.00 0.00 H new ATOM 0 HA SER A 22 -0.613 -4.869 10.660 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.587 -3.831 12.420 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.207 -2.781 12.166 1.00 0.00 H new ATOM 0 HG SER A 22 -0.086 -4.192 13.984 1.00 0.00 H new ATOM 316 N VAL A 23 -0.631 -3.134 8.910 1.00 0.00 N ATOM 317 CA VAL A 23 -0.699 -2.095 7.890 1.00 0.00 C ATOM 318 C VAL A 23 -1.722 -1.027 8.260 1.00 0.00 C ATOM 319 O VAL A 23 -2.853 -1.339 8.631 1.00 0.00 O ATOM 320 CB VAL A 23 -1.062 -2.683 6.513 1.00 0.00 C ATOM 321 CG1 VAL A 23 -2.569 -2.849 6.384 1.00 0.00 C ATOM 322 CG2 VAL A 23 -0.517 -1.803 5.398 1.00 0.00 C ATOM 0 H VAL A 23 -1.449 -3.742 8.947 1.00 0.00 H new ATOM 0 HA VAL A 23 0.291 -1.642 7.834 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.603 -3.668 6.425 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.807 -3.265 5.405 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.929 -3.522 7.162 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.053 -1.878 6.492 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.783 -2.233 4.432 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.945 -0.804 5.480 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.568 -1.740 5.481 1.00 0.00 H new ATOM 332 N ASN A 24 -1.317 0.234 8.157 1.00 0.00 N ATOM 333 CA ASN A 24 -2.199 1.349 8.482 1.00 0.00 C ATOM 334 C ASN A 24 -2.232 2.366 7.344 1.00 0.00 C ATOM 335 O ASN A 24 -1.342 2.390 6.493 1.00 0.00 O ATOM 336 CB ASN A 24 -1.742 2.028 9.774 1.00 0.00 C ATOM 337 CG ASN A 24 -2.345 1.387 11.009 1.00 0.00 C ATOM 338 OD1 ASN A 24 -3.448 0.842 10.963 1.00 0.00 O ATOM 339 ND2 ASN A 24 -1.623 1.449 12.121 1.00 0.00 N ATOM 0 H ASN A 24 -0.384 0.510 7.851 1.00 0.00 H new ATOM 0 HA ASN A 24 -3.205 0.955 8.623 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.655 1.984 9.839 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.017 3.082 9.744 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.978 1.035 12.983 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.714 1.911 12.113 1.00 0.00 H new ATOM 346 N TYR A 25 -3.263 3.203 7.337 1.00 0.00 N ATOM 347 CA TYR A 25 -3.414 4.221 6.303 1.00 0.00 C ATOM 348 C TYR A 25 -3.735 5.579 6.919 1.00 0.00 C ATOM 349 O TYR A 25 -4.864 5.829 7.340 1.00 0.00 O ATOM 350 CB TYR A 25 -4.515 3.820 5.320 1.00 0.00 C ATOM 351 CG TYR A 25 -4.164 2.615 4.476 1.00 0.00 C ATOM 352 CD1 TYR A 25 -3.501 2.760 3.264 1.00 0.00 C ATOM 353 CD2 TYR A 25 -4.496 1.332 4.892 1.00 0.00 C ATOM 354 CE1 TYR A 25 -3.179 1.663 2.490 1.00 0.00 C ATOM 355 CE2 TYR A 25 -4.177 0.228 4.125 1.00 0.00 C ATOM 356 CZ TYR A 25 -3.519 0.398 2.924 1.00 0.00 C ATOM 357 OH TYR A 25 -3.200 -0.698 2.157 1.00 0.00 O ATOM 0 H TYR A 25 -4.007 3.197 8.035 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.469 4.301 5.766 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.428 3.610 5.876 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -4.729 4.663 4.663 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -3.233 3.748 2.921 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -5.012 1.195 5.831 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -2.664 1.794 1.550 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -4.441 -0.763 4.464 1.00 0.00 H new ATOM 0 HH TYR A 25 -3.509 -1.513 2.606 1.00 0.00 H new ATOM 367 N GLU A 26 -2.734 6.452 6.967 1.00 0.00 N ATOM 368 CA GLU A 26 -2.910 7.785 7.531 1.00 0.00 C ATOM 369 C GLU A 26 -3.446 8.754 6.481 1.00 0.00 C ATOM 370 O GLU A 26 -3.000 8.750 5.334 1.00 0.00 O ATOM 371 CB GLU A 26 -1.585 8.305 8.091 1.00 0.00 C ATOM 372 CG GLU A 26 -1.219 7.709 9.441 1.00 0.00 C ATOM 373 CD GLU A 26 0.103 8.232 9.970 1.00 0.00 C ATOM 374 OE1 GLU A 26 0.375 9.439 9.798 1.00 0.00 O ATOM 375 OE2 GLU A 26 0.864 7.435 10.556 1.00 0.00 O ATOM 0 H GLU A 26 -1.793 6.260 6.622 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.636 7.716 8.341 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.789 8.087 7.379 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.641 9.390 8.185 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.008 7.933 10.159 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.167 6.624 9.353 1.00 0.00 H new ATOM 382 N GLN A 27 -4.405 9.581 6.882 1.00 0.00 N ATOM 383 CA GLN A 27 -5.003 10.555 5.976 1.00 0.00 C ATOM 384 C GLN A 27 -4.863 11.970 6.528 1.00 0.00 C ATOM 385 O GLN A 27 -5.117 12.214 7.708 1.00 0.00 O ATOM 386 CB GLN A 27 -6.479 10.228 5.744 1.00 0.00 C ATOM 387 CG GLN A 27 -7.191 9.714 6.985 1.00 0.00 C ATOM 388 CD GLN A 27 -8.553 9.126 6.676 1.00 0.00 C ATOM 389 OE1 GLN A 27 -8.679 8.226 5.845 1.00 0.00 O ATOM 390 NE2 GLN A 27 -9.583 9.632 7.344 1.00 0.00 N ATOM 0 H GLN A 27 -4.785 9.597 7.828 1.00 0.00 H new ATOM 0 HA GLN A 27 -4.473 10.502 5.025 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.989 11.123 5.387 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -6.557 9.480 4.955 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.573 8.956 7.466 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -7.305 10.531 7.698 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -9.433 10.377 8.024 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -10.524 9.275 7.177 1.00 0.00 H new ATOM 553 N PHE A 38 -6.852 14.910 -1.879 1.00 0.00 N ATOM 554 CA PHE A 38 -6.889 13.746 -1.001 1.00 0.00 C ATOM 555 C PHE A 38 -5.546 13.021 -1.002 1.00 0.00 C ATOM 556 O PHE A 38 -4.924 12.846 -2.051 1.00 0.00 O ATOM 557 CB PHE A 38 -7.998 12.787 -1.437 1.00 0.00 C ATOM 558 CG PHE A 38 -9.326 13.076 -0.798 1.00 0.00 C ATOM 559 CD1 PHE A 38 -10.140 14.086 -1.286 1.00 0.00 C ATOM 560 CD2 PHE A 38 -9.761 12.339 0.293 1.00 0.00 C ATOM 561 CE1 PHE A 38 -11.363 14.355 -0.701 1.00 0.00 C ATOM 562 CE2 PHE A 38 -10.982 12.604 0.882 1.00 0.00 C ATOM 563 CZ PHE A 38 -11.784 13.613 0.386 1.00 0.00 C ATOM 0 HA PHE A 38 -7.095 14.093 0.012 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.106 12.838 -2.520 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -7.701 11.767 -1.194 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -9.815 14.670 -2.134 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -9.138 11.549 0.687 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.988 15.144 -1.093 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -11.310 12.022 1.731 1.00 0.00 H new ATOM 0 HZ PHE A 38 -12.738 13.822 0.847 1.00 0.00 H new ATOM 573 N ILE A 39 -5.105 12.604 0.180 1.00 0.00 N ATOM 574 CA ILE A 39 -3.836 11.898 0.315 1.00 0.00 C ATOM 575 C ILE A 39 -3.944 10.763 1.328 1.00 0.00 C ATOM 576 O ILE A 39 -4.646 10.879 2.334 1.00 0.00 O ATOM 577 CB ILE A 39 -2.706 12.851 0.748 1.00 0.00 C ATOM 578 CG1 ILE A 39 -2.475 13.921 -0.321 1.00 0.00 C ATOM 579 CG2 ILE A 39 -1.427 12.070 1.009 1.00 0.00 C ATOM 580 CD1 ILE A 39 -1.875 15.198 0.223 1.00 0.00 C ATOM 0 H ILE A 39 -5.607 12.742 1.057 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.598 11.486 -0.665 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.001 13.346 1.673 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.816 13.518 -1.090 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.425 14.152 -0.804 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.637 12.757 1.314 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.601 11.342 1.801 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.125 11.551 0.099 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.739 15.911 -0.590 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.543 15.624 0.971 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.910 14.981 0.680 1.00 0.00 H new ATOM 592 N CYS A 40 -3.245 9.667 1.056 1.00 0.00 N ATOM 593 CA CYS A 40 -3.261 8.510 1.945 1.00 0.00 C ATOM 594 C CYS A 40 -1.877 7.876 2.036 1.00 0.00 C ATOM 595 O CYS A 40 -1.344 7.375 1.045 1.00 0.00 O ATOM 596 CB CYS A 40 -4.276 7.478 1.453 1.00 0.00 C ATOM 597 SG CYS A 40 -4.958 6.433 2.761 1.00 0.00 S ATOM 0 H CYS A 40 -2.660 9.555 0.228 1.00 0.00 H new ATOM 0 HA CYS A 40 -3.551 8.850 2.939 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -5.094 7.998 0.954 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.800 6.843 0.706 1.00 0.00 H new ATOM 0 HG CYS A 40 -4.870 5.185 2.409 1.00 0.00 H new ATOM 603 N LYS A 41 -1.297 7.903 3.231 1.00 0.00 N ATOM 604 CA LYS A 41 0.026 7.331 3.454 1.00 0.00 C ATOM 605 C LYS A 41 -0.079 5.944 4.080 1.00 0.00 C ATOM 606 O LYS A 41 -0.658 5.780 5.155 1.00 0.00 O ATOM 607 CB LYS A 41 0.855 8.248 4.356 1.00 0.00 C ATOM 608 CG LYS A 41 0.886 9.693 3.891 1.00 0.00 C ATOM 609 CD LYS A 41 1.386 10.621 4.985 1.00 0.00 C ATOM 610 CE LYS A 41 1.349 12.076 4.542 1.00 0.00 C ATOM 611 NZ LYS A 41 -0.018 12.656 4.656 1.00 0.00 N ATOM 0 H LYS A 41 -1.723 8.315 4.061 1.00 0.00 H new ATOM 0 HA LYS A 41 0.521 7.237 2.488 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.452 8.209 5.368 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.876 7.869 4.405 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.530 9.781 3.016 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.114 9.998 3.583 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.773 10.496 5.878 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.406 10.348 5.257 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.042 12.658 5.149 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.690 12.150 3.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.001 13.648 4.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.675 12.116 4.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.334 12.609 5.646 1.00 0.00 H new ATOM 625 N CYS A 42 0.484 4.950 3.402 1.00 0.00 N ATOM 626 CA CYS A 42 0.454 3.577 3.893 1.00 0.00 C ATOM 627 C CYS A 42 1.688 3.274 4.737 1.00 0.00 C ATOM 628 O CYS A 42 2.812 3.277 4.235 1.00 0.00 O ATOM 629 CB CYS A 42 0.368 2.597 2.722 1.00 0.00 C ATOM 630 SG CYS A 42 0.298 0.859 3.218 1.00 0.00 S ATOM 0 H CYS A 42 0.966 5.069 2.511 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.430 3.460 4.520 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.517 2.831 2.131 1.00 0.00 H new ATOM 0 HB3 CYS A 42 1.232 2.744 2.074 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.932 0.442 3.167 1.00 0.00 H new ATOM 636 N LYS A 43 1.471 3.014 6.021 1.00 0.00 N ATOM 637 CA LYS A 43 2.564 2.709 6.936 1.00 0.00 C ATOM 638 C LYS A 43 2.491 1.261 7.409 1.00 0.00 C ATOM 639 O LYS A 43 1.404 0.703 7.563 1.00 0.00 O ATOM 640 CB LYS A 43 2.526 3.652 8.141 1.00 0.00 C ATOM 641 CG LYS A 43 3.261 4.962 7.912 1.00 0.00 C ATOM 642 CD LYS A 43 2.991 5.956 9.029 1.00 0.00 C ATOM 643 CE LYS A 43 3.962 5.772 10.185 1.00 0.00 C ATOM 644 NZ LYS A 43 4.176 7.040 10.936 1.00 0.00 N ATOM 0 H LYS A 43 0.547 3.008 6.452 1.00 0.00 H new ATOM 0 HA LYS A 43 3.502 2.851 6.400 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.487 3.867 8.391 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.963 3.146 9.002 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.332 4.772 7.844 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.952 5.392 6.959 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.073 6.972 8.642 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.969 5.833 9.388 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.580 5.009 10.863 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.917 5.410 9.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.844 6.873 11.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.565 7.761 10.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.269 7.372 11.322 1.00 0.00 H new ATOM 658 N ILE A 44 3.653 0.659 7.638 1.00 0.00 N ATOM 659 CA ILE A 44 3.719 -0.724 8.096 1.00 0.00 C ATOM 660 C ILE A 44 4.481 -0.831 9.412 1.00 0.00 C ATOM 661 O ILE A 44 5.710 -0.774 9.436 1.00 0.00 O ATOM 662 CB ILE A 44 4.392 -1.632 7.050 1.00 0.00 C ATOM 663 CG1 ILE A 44 3.970 -1.219 5.638 1.00 0.00 C ATOM 664 CG2 ILE A 44 4.041 -3.089 7.309 1.00 0.00 C ATOM 665 CD1 ILE A 44 2.579 -1.681 5.264 1.00 0.00 C ATOM 0 H ILE A 44 4.561 1.106 7.514 1.00 0.00 H new ATOM 0 HA ILE A 44 2.692 -1.056 8.246 1.00 0.00 H new ATOM 0 HB ILE A 44 5.473 -1.519 7.134 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.018 -0.133 5.556 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.684 -1.624 4.921 1.00 0.00 H new ATOM 0 HG21 ILE A 44 4.524 -3.718 6.561 1.00 0.00 H new ATOM 0 HG22 ILE A 44 4.386 -3.375 8.302 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.960 -3.219 7.249 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.347 -1.353 4.251 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.531 -2.769 5.313 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.855 -1.254 5.958 1.00 0.00 H new ATOM 677 N GLY A 45 3.743 -0.989 10.507 1.00 0.00 N ATOM 678 CA GLY A 45 4.367 -1.104 11.812 1.00 0.00 C ATOM 679 C GLY A 45 5.012 0.191 12.263 1.00 0.00 C ATOM 680 O GLY A 45 6.127 0.188 12.784 1.00 0.00 O ATOM 0 H GLY A 45 2.724 -1.039 10.513 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.618 -1.407 12.544 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.121 -1.891 11.783 1.00 0.00 H new ATOM 684 N GLN A 46 4.311 1.302 12.059 1.00 0.00 N ATOM 685 CA GLN A 46 4.824 2.610 12.446 1.00 0.00 C ATOM 686 C GLN A 46 6.012 3.008 11.577 1.00 0.00 C ATOM 687 O GLN A 46 6.872 3.783 11.998 1.00 0.00 O ATOM 688 CB GLN A 46 5.234 2.605 13.920 1.00 0.00 C ATOM 689 CG GLN A 46 5.192 3.980 14.568 1.00 0.00 C ATOM 690 CD GLN A 46 3.794 4.379 14.999 1.00 0.00 C ATOM 691 OE1 GLN A 46 3.386 4.127 16.133 1.00 0.00 O ATOM 692 NE2 GLN A 46 3.051 5.005 14.094 1.00 0.00 N ATOM 0 H GLN A 46 3.387 1.322 11.628 1.00 0.00 H new ATOM 0 HA GLN A 46 4.029 3.341 12.300 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.575 1.933 14.470 1.00 0.00 H new ATOM 0 HB3 GLN A 46 6.243 2.202 14.006 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.852 3.989 15.435 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.577 4.720 13.867 1.00 0.00 H new ATOM 0 HE21 GLN A 46 3.429 5.194 13.166 1.00 0.00 H new ATOM 0 HE22 GLN A 46 2.102 5.297 14.327 1.00 0.00 H new ATOM 701 N THR A 47 6.055 2.473 10.361 1.00 0.00 N ATOM 702 CA THR A 47 7.138 2.771 9.433 1.00 0.00 C ATOM 703 C THR A 47 6.599 3.312 8.114 1.00 0.00 C ATOM 704 O THR A 47 5.636 2.782 7.562 1.00 0.00 O ATOM 705 CB THR A 47 7.995 1.522 9.150 1.00 0.00 C ATOM 706 OG1 THR A 47 8.548 1.021 10.372 1.00 0.00 O ATOM 707 CG2 THR A 47 9.117 1.845 8.174 1.00 0.00 C ATOM 0 H THR A 47 5.352 1.831 9.996 1.00 0.00 H new ATOM 0 HA THR A 47 7.760 3.530 9.907 1.00 0.00 H new ATOM 0 HB THR A 47 7.354 0.762 8.703 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.090 0.226 10.184 1.00 0.00 H new ATOM 0 HG21 THR A 47 9.708 0.948 7.990 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.692 2.199 7.235 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.756 2.620 8.598 1.00 0.00 H new ATOM 715 N MET A 48 7.227 4.371 7.613 1.00 0.00 N ATOM 716 CA MET A 48 6.811 4.983 6.357 1.00 0.00 C ATOM 717 C MET A 48 7.283 4.155 5.166 1.00 0.00 C ATOM 718 O MET A 48 8.476 3.888 5.018 1.00 0.00 O ATOM 719 CB MET A 48 7.358 6.408 6.252 1.00 0.00 C ATOM 720 CG MET A 48 6.822 7.179 5.057 1.00 0.00 C ATOM 721 SD MET A 48 7.984 8.416 4.450 1.00 0.00 S ATOM 722 CE MET A 48 7.208 8.882 2.905 1.00 0.00 C ATOM 0 H MET A 48 8.026 4.823 8.058 1.00 0.00 H new ATOM 0 HA MET A 48 5.722 5.019 6.343 1.00 0.00 H new ATOM 0 HB2 MET A 48 7.111 6.951 7.164 1.00 0.00 H new ATOM 0 HB3 MET A 48 8.445 6.367 6.189 1.00 0.00 H new ATOM 0 HG2 MET A 48 6.589 6.480 4.254 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.888 7.668 5.335 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.811 9.643 2.410 1.00 0.00 H new ATOM 0 HE2 MET A 48 7.127 8.007 2.260 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.213 9.280 3.103 1.00 0.00 H new ATOM 732 N TYR A 49 6.342 3.752 4.320 1.00 0.00 N ATOM 733 CA TYR A 49 6.662 2.952 3.144 1.00 0.00 C ATOM 734 C TYR A 49 6.288 3.693 1.863 1.00 0.00 C ATOM 735 O TYR A 49 7.144 3.984 1.029 1.00 0.00 O ATOM 736 CB TYR A 49 5.934 1.609 3.201 1.00 0.00 C ATOM 737 CG TYR A 49 6.712 0.527 3.916 1.00 0.00 C ATOM 738 CD1 TYR A 49 6.832 0.531 5.300 1.00 0.00 C ATOM 739 CD2 TYR A 49 7.328 -0.497 3.208 1.00 0.00 C ATOM 740 CE1 TYR A 49 7.542 -0.454 5.958 1.00 0.00 C ATOM 741 CE2 TYR A 49 8.039 -1.487 3.858 1.00 0.00 C ATOM 742 CZ TYR A 49 8.144 -1.461 5.233 1.00 0.00 C ATOM 743 OH TYR A 49 8.853 -2.445 5.883 1.00 0.00 O ATOM 0 H TYR A 49 5.351 3.966 4.427 1.00 0.00 H new ATOM 0 HA TYR A 49 7.737 2.774 3.139 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.975 1.746 3.701 1.00 0.00 H new ATOM 0 HB3 TYR A 49 5.719 1.279 2.185 1.00 0.00 H new ATOM 0 HD1 TYR A 49 6.362 1.318 5.871 1.00 0.00 H new ATOM 0 HD2 TYR A 49 7.250 -0.520 2.131 1.00 0.00 H new ATOM 0 HE1 TYR A 49 7.625 -0.436 7.035 1.00 0.00 H new ATOM 0 HE2 TYR A 49 8.510 -2.277 3.292 1.00 0.00 H new ATOM 0 HH TYR A 49 9.212 -3.078 5.226 1.00 0.00 H new ATOM 753 N GLY A 50 5.002 3.994 1.716 1.00 0.00 N ATOM 754 CA GLY A 50 4.535 4.698 0.536 1.00 0.00 C ATOM 755 C GLY A 50 3.287 5.515 0.803 1.00 0.00 C ATOM 756 O GLY A 50 2.681 5.407 1.870 1.00 0.00 O ATOM 0 H GLY A 50 4.275 3.763 2.393 1.00 0.00 H new ATOM 0 HA2 GLY A 50 5.325 5.356 0.173 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.331 3.977 -0.256 1.00 0.00 H new ATOM 760 N THR A 51 2.901 6.339 -0.166 1.00 0.00 N ATOM 761 CA THR A 51 1.719 7.180 -0.029 1.00 0.00 C ATOM 762 C THR A 51 1.064 7.432 -1.382 1.00 0.00 C ATOM 763 O THR A 51 1.679 7.229 -2.428 1.00 0.00 O ATOM 764 CB THR A 51 2.065 8.533 0.621 1.00 0.00 C ATOM 765 OG1 THR A 51 0.876 9.313 0.791 1.00 0.00 O ATOM 766 CG2 THR A 51 3.065 9.302 -0.230 1.00 0.00 C ATOM 0 H THR A 51 3.391 6.442 -1.055 1.00 0.00 H new ATOM 0 HA THR A 51 1.022 6.643 0.615 1.00 0.00 H new ATOM 0 HB THR A 51 2.514 8.339 1.595 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.117 10.257 0.898 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.294 10.254 0.249 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.980 8.718 -0.333 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.638 9.485 -1.216 1.00 0.00 H new ATOM 774 N GLY A 52 -0.189 7.877 -1.354 1.00 0.00 N ATOM 775 CA GLY A 52 -0.907 8.150 -2.586 1.00 0.00 C ATOM 776 C GLY A 52 -1.591 9.503 -2.570 1.00 0.00 C ATOM 777 O GLY A 52 -1.891 10.042 -1.505 1.00 0.00 O ATOM 0 H GLY A 52 -0.719 8.053 -0.501 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.212 8.107 -3.425 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.652 7.371 -2.749 1.00 0.00 H new ATOM 781 N SER A 53 -1.839 10.053 -3.754 1.00 0.00 N ATOM 782 CA SER A 53 -2.487 11.353 -3.873 1.00 0.00 C ATOM 783 C SER A 53 -3.475 11.364 -5.035 1.00 0.00 C ATOM 784 O SER A 53 -3.131 11.004 -6.160 1.00 0.00 O ATOM 785 CB SER A 53 -1.441 12.453 -4.067 1.00 0.00 C ATOM 786 OG SER A 53 -0.681 12.231 -5.242 1.00 0.00 O ATOM 0 H SER A 53 -1.601 9.618 -4.645 1.00 0.00 H new ATOM 0 HA SER A 53 -3.036 11.543 -2.951 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.935 13.423 -4.127 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.778 12.486 -3.202 1.00 0.00 H new ATOM 0 HG SER A 53 -1.250 11.822 -5.927 1.00 0.00 H new ATOM 792 N GLY A 54 -4.706 11.781 -4.754 1.00 0.00 N ATOM 793 CA GLY A 54 -5.726 11.831 -5.785 1.00 0.00 C ATOM 794 C GLY A 54 -6.919 12.675 -5.381 1.00 0.00 C ATOM 795 O GLY A 54 -6.924 13.283 -4.311 1.00 0.00 O ATOM 0 H GLY A 54 -5.015 12.085 -3.831 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.293 12.234 -6.701 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.061 10.818 -6.010 1.00 0.00 H new ATOM 799 N VAL A 55 -7.933 12.713 -6.239 1.00 0.00 N ATOM 800 CA VAL A 55 -9.136 13.490 -5.966 1.00 0.00 C ATOM 801 C VAL A 55 -9.984 12.827 -4.886 1.00 0.00 C ATOM 802 O VAL A 55 -10.646 13.503 -4.098 1.00 0.00 O ATOM 803 CB VAL A 55 -9.990 13.668 -7.236 1.00 0.00 C ATOM 804 CG1 VAL A 55 -9.202 14.404 -8.309 1.00 0.00 C ATOM 805 CG2 VAL A 55 -10.471 12.319 -7.748 1.00 0.00 C ATOM 0 H VAL A 55 -7.945 12.215 -7.129 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.808 14.469 -5.618 1.00 0.00 H new ATOM 0 HB VAL A 55 -10.865 14.268 -6.984 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.821 14.521 -9.199 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.911 15.387 -7.937 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.309 13.833 -8.561 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.073 12.464 -8.645 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.611 11.692 -7.985 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.074 11.833 -6.981 1.00 0.00 H new ATOM 815 N THR A 56 -9.961 11.498 -4.855 1.00 0.00 N ATOM 816 CA THR A 56 -10.728 10.743 -3.873 1.00 0.00 C ATOM 817 C THR A 56 -9.816 9.873 -3.014 1.00 0.00 C ATOM 818 O THR A 56 -8.911 9.213 -3.523 1.00 0.00 O ATOM 819 CB THR A 56 -11.782 9.848 -4.551 1.00 0.00 C ATOM 820 OG1 THR A 56 -12.395 10.550 -5.638 1.00 0.00 O ATOM 821 CG2 THR A 56 -12.848 9.417 -3.554 1.00 0.00 C ATOM 0 H THR A 56 -9.419 10.922 -5.499 1.00 0.00 H new ATOM 0 HA THR A 56 -11.234 11.471 -3.239 1.00 0.00 H new ATOM 0 HB THR A 56 -11.280 8.958 -4.931 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.063 9.973 -6.065 1.00 0.00 H new ATOM 0 HG21 THR A 56 -13.581 8.786 -4.056 1.00 0.00 H new ATOM 0 HG22 THR A 56 -12.382 8.858 -2.743 1.00 0.00 H new ATOM 0 HG23 THR A 56 -13.345 10.299 -3.149 1.00 0.00 H new ATOM 829 N LYS A 57 -10.061 9.877 -1.708 1.00 0.00 N ATOM 830 CA LYS A 57 -9.264 9.088 -0.777 1.00 0.00 C ATOM 831 C LYS A 57 -8.886 7.743 -1.390 1.00 0.00 C ATOM 832 O LYS A 57 -7.707 7.401 -1.478 1.00 0.00 O ATOM 833 CB LYS A 57 -10.034 8.867 0.527 1.00 0.00 C ATOM 834 CG LYS A 57 -9.199 8.235 1.627 1.00 0.00 C ATOM 835 CD LYS A 57 -9.967 8.161 2.936 1.00 0.00 C ATOM 836 CE LYS A 57 -11.118 7.171 2.852 1.00 0.00 C ATOM 837 NZ LYS A 57 -11.984 7.224 4.062 1.00 0.00 N ATOM 0 H LYS A 57 -10.806 10.419 -1.270 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.349 9.641 -0.562 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.418 9.824 0.879 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.897 8.231 0.327 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -8.896 7.233 1.325 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -8.287 8.814 1.771 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.291 7.867 3.739 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.353 9.149 3.189 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.717 7.385 1.967 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.722 6.163 2.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.757 6.535 3.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.418 6.995 4.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.383 8.179 4.162 1.00 0.00 H new ATOM 851 N GLN A 58 -9.893 6.986 -1.812 1.00 0.00 N ATOM 852 CA GLN A 58 -9.665 5.679 -2.417 1.00 0.00 C ATOM 853 C GLN A 58 -8.505 5.732 -3.406 1.00 0.00 C ATOM 854 O GLN A 58 -7.503 5.038 -3.239 1.00 0.00 O ATOM 855 CB GLN A 58 -10.931 5.192 -3.124 1.00 0.00 C ATOM 856 CG GLN A 58 -10.890 3.720 -3.500 1.00 0.00 C ATOM 857 CD GLN A 58 -11.247 2.811 -2.341 1.00 0.00 C ATOM 858 OE1 GLN A 58 -12.041 3.175 -1.473 1.00 0.00 O ATOM 859 NE2 GLN A 58 -10.662 1.619 -2.321 1.00 0.00 N ATOM 0 H GLN A 58 -10.875 7.255 -1.746 1.00 0.00 H new ATOM 0 HA GLN A 58 -9.410 4.979 -1.622 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -11.790 5.369 -2.476 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -11.084 5.785 -4.026 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -11.581 3.540 -4.324 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -9.892 3.469 -3.860 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -10.010 1.358 -3.061 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -10.865 0.964 -1.566 1.00 0.00 H new ATOM 868 N GLU A 59 -8.649 6.561 -4.436 1.00 0.00 N ATOM 869 CA GLU A 59 -7.613 6.703 -5.452 1.00 0.00 C ATOM 870 C GLU A 59 -6.233 6.815 -4.810 1.00 0.00 C ATOM 871 O GLU A 59 -5.256 6.260 -5.313 1.00 0.00 O ATOM 872 CB GLU A 59 -7.885 7.932 -6.321 1.00 0.00 C ATOM 873 CG GLU A 59 -7.070 7.964 -7.603 1.00 0.00 C ATOM 874 CD GLU A 59 -7.637 7.055 -8.677 1.00 0.00 C ATOM 875 OE1 GLU A 59 -7.280 5.859 -8.690 1.00 0.00 O ATOM 876 OE2 GLU A 59 -8.438 7.540 -9.503 1.00 0.00 O ATOM 0 H GLU A 59 -9.472 7.144 -4.588 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.631 5.812 -6.080 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.945 7.960 -6.574 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.671 8.830 -5.742 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -7.032 8.986 -7.980 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.044 7.667 -7.385 1.00 0.00 H new ATOM 883 N ALA A 60 -6.162 7.536 -3.697 1.00 0.00 N ATOM 884 CA ALA A 60 -4.903 7.721 -2.985 1.00 0.00 C ATOM 885 C ALA A 60 -4.463 6.428 -2.306 1.00 0.00 C ATOM 886 O ALA A 60 -3.410 5.875 -2.625 1.00 0.00 O ATOM 887 CB ALA A 60 -5.034 8.839 -1.962 1.00 0.00 C ATOM 0 H ALA A 60 -6.961 8.002 -3.268 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.139 7.998 -3.712 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.087 8.966 -1.438 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.295 9.768 -2.469 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.814 8.586 -1.244 1.00 0.00 H new ATOM 893 N LYS A 61 -5.274 5.952 -1.367 1.00 0.00 N ATOM 894 CA LYS A 61 -4.968 4.725 -0.642 1.00 0.00 C ATOM 895 C LYS A 61 -4.500 3.631 -1.597 1.00 0.00 C ATOM 896 O LYS A 61 -3.580 2.876 -1.286 1.00 0.00 O ATOM 897 CB LYS A 61 -6.198 4.247 0.134 1.00 0.00 C ATOM 898 CG LYS A 61 -5.948 2.998 0.961 1.00 0.00 C ATOM 899 CD LYS A 61 -7.082 2.740 1.939 1.00 0.00 C ATOM 900 CE LYS A 61 -7.098 1.292 2.404 1.00 0.00 C ATOM 901 NZ LYS A 61 -7.909 0.429 1.502 1.00 0.00 N ATOM 0 H LYS A 61 -6.149 6.398 -1.090 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.163 4.939 0.061 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.535 5.047 0.793 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.007 4.051 -0.569 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.835 2.139 0.299 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.011 3.105 1.508 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.978 3.399 2.801 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.034 2.982 1.466 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.077 0.913 2.448 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.501 1.240 3.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.895 -0.550 1.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.890 0.775 1.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.510 0.458 0.542 1.00 0.00 H new ATOM 915 N GLN A 62 -5.140 3.554 -2.760 1.00 0.00 N ATOM 916 CA GLN A 62 -4.787 2.553 -3.759 1.00 0.00 C ATOM 917 C GLN A 62 -3.311 2.651 -4.131 1.00 0.00 C ATOM 918 O GLN A 62 -2.532 1.732 -3.871 1.00 0.00 O ATOM 919 CB GLN A 62 -5.653 2.723 -5.009 1.00 0.00 C ATOM 920 CG GLN A 62 -7.056 2.159 -4.859 1.00 0.00 C ATOM 921 CD GLN A 62 -7.822 2.142 -6.167 1.00 0.00 C ATOM 922 OE1 GLN A 62 -8.926 2.680 -6.261 1.00 0.00 O ATOM 923 NE2 GLN A 62 -7.239 1.523 -7.187 1.00 0.00 N ATOM 0 H GLN A 62 -5.904 4.172 -3.033 1.00 0.00 H new ATOM 0 HA GLN A 62 -4.969 1.568 -3.330 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.721 3.783 -5.252 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.162 2.234 -5.850 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -6.995 1.145 -4.465 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.606 2.752 -4.128 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -6.323 1.091 -7.065 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.707 1.480 -8.092 1.00 0.00 H new ATOM 932 N LEU A 63 -2.933 3.769 -4.741 1.00 0.00 N ATOM 933 CA LEU A 63 -1.550 3.987 -5.149 1.00 0.00 C ATOM 934 C LEU A 63 -0.600 3.820 -3.967 1.00 0.00 C ATOM 935 O LEU A 63 0.460 3.207 -4.091 1.00 0.00 O ATOM 936 CB LEU A 63 -1.390 5.383 -5.753 1.00 0.00 C ATOM 937 CG LEU A 63 -2.356 5.741 -6.882 1.00 0.00 C ATOM 938 CD1 LEU A 63 -2.631 7.237 -6.896 1.00 0.00 C ATOM 939 CD2 LEU A 63 -1.801 5.286 -8.224 1.00 0.00 C ATOM 0 H LEU A 63 -3.565 4.538 -4.964 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.298 3.241 -5.902 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.506 6.117 -4.956 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.372 5.480 -6.129 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.298 5.221 -6.706 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.321 7.473 -7.707 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.073 7.535 -5.945 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.696 7.777 -7.046 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.502 5.549 -9.016 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.845 5.777 -8.408 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.658 4.206 -8.211 1.00 0.00 H new ATOM 951 N ALA A 64 -0.989 4.367 -2.820 1.00 0.00 N ATOM 952 CA ALA A 64 -0.175 4.275 -1.614 1.00 0.00 C ATOM 953 C ALA A 64 0.412 2.876 -1.454 1.00 0.00 C ATOM 954 O ALA A 64 1.474 2.704 -0.857 1.00 0.00 O ATOM 955 CB ALA A 64 -1.000 4.646 -0.391 1.00 0.00 C ATOM 0 H ALA A 64 -1.863 4.879 -2.701 1.00 0.00 H new ATOM 0 HA ALA A 64 0.652 4.979 -1.708 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.380 4.573 0.502 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.367 5.667 -0.496 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.846 3.964 -0.302 1.00 0.00 H new ATOM 961 N ALA A 65 -0.286 1.881 -1.991 1.00 0.00 N ATOM 962 CA ALA A 65 0.167 0.498 -1.909 1.00 0.00 C ATOM 963 C ALA A 65 1.250 0.213 -2.944 1.00 0.00 C ATOM 964 O ALA A 65 2.328 -0.279 -2.611 1.00 0.00 O ATOM 965 CB ALA A 65 -1.006 -0.453 -2.092 1.00 0.00 C ATOM 0 H ALA A 65 -1.168 2.007 -2.488 1.00 0.00 H new ATOM 0 HA ALA A 65 0.597 0.340 -0.920 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.653 -1.482 -2.028 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.745 -0.274 -1.311 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.462 -0.285 -3.068 1.00 0.00 H new ATOM 971 N LYS A 66 0.955 0.524 -4.202 1.00 0.00 N ATOM 972 CA LYS A 66 1.903 0.301 -5.288 1.00 0.00 C ATOM 973 C LYS A 66 3.332 0.566 -4.825 1.00 0.00 C ATOM 974 O LYS A 66 4.218 -0.267 -5.012 1.00 0.00 O ATOM 975 CB LYS A 66 1.566 1.201 -6.479 1.00 0.00 C ATOM 976 CG LYS A 66 1.956 0.606 -7.820 1.00 0.00 C ATOM 977 CD LYS A 66 1.331 1.373 -8.974 1.00 0.00 C ATOM 978 CE LYS A 66 2.157 1.240 -10.244 1.00 0.00 C ATOM 979 NZ LYS A 66 1.580 2.031 -11.366 1.00 0.00 N ATOM 0 H LYS A 66 0.067 0.931 -4.495 1.00 0.00 H new ATOM 0 HA LYS A 66 1.827 -0.742 -5.596 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.495 1.404 -6.479 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.072 2.158 -6.355 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.041 0.615 -7.921 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.641 -0.437 -7.862 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.322 1.002 -9.155 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.241 2.426 -8.706 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.176 1.574 -10.051 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.215 0.190 -10.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.172 1.914 -12.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.616 1.696 -11.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.549 3.036 -11.102 1.00 0.00 H new ATOM 993 N GLU A 67 3.547 1.729 -4.219 1.00 0.00 N ATOM 994 CA GLU A 67 4.870 2.102 -3.730 1.00 0.00 C ATOM 995 C GLU A 67 5.260 1.256 -2.521 1.00 0.00 C ATOM 996 O GLU A 67 6.368 0.724 -2.455 1.00 0.00 O ATOM 997 CB GLU A 67 4.901 3.586 -3.358 1.00 0.00 C ATOM 998 CG GLU A 67 6.305 4.154 -3.241 1.00 0.00 C ATOM 999 CD GLU A 67 7.030 4.197 -4.572 1.00 0.00 C ATOM 1000 OE1 GLU A 67 7.359 3.116 -5.105 1.00 0.00 O ATOM 1001 OE2 GLU A 67 7.269 5.312 -5.082 1.00 0.00 O ATOM 0 H GLU A 67 2.823 2.429 -4.055 1.00 0.00 H new ATOM 0 HA GLU A 67 5.590 1.920 -4.528 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.350 4.152 -4.109 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.381 3.725 -2.410 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.252 5.161 -2.828 1.00 0.00 H new ATOM 0 HG3 GLU A 67 6.879 3.551 -2.538 1.00 0.00 H new ATOM 1008 N ALA A 68 4.342 1.137 -1.568 1.00 0.00 N ATOM 1009 CA ALA A 68 4.590 0.355 -0.363 1.00 0.00 C ATOM 1010 C ALA A 68 5.070 -1.050 -0.709 1.00 0.00 C ATOM 1011 O ALA A 68 5.860 -1.645 0.025 1.00 0.00 O ATOM 1012 CB ALA A 68 3.332 0.289 0.491 1.00 0.00 C ATOM 0 H ALA A 68 3.420 1.572 -1.607 1.00 0.00 H new ATOM 0 HA ALA A 68 5.377 0.850 0.206 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.531 -0.298 1.388 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.033 1.297 0.777 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.530 -0.180 -0.079 1.00 0.00 H new ATOM 1018 N TYR A 69 4.589 -1.575 -1.830 1.00 0.00 N ATOM 1019 CA TYR A 69 4.967 -2.913 -2.271 1.00 0.00 C ATOM 1020 C TYR A 69 6.448 -2.968 -2.635 1.00 0.00 C ATOM 1021 O TYR A 69 7.198 -3.786 -2.102 1.00 0.00 O ATOM 1022 CB TYR A 69 4.120 -3.334 -3.473 1.00 0.00 C ATOM 1023 CG TYR A 69 4.259 -4.797 -3.829 1.00 0.00 C ATOM 1024 CD1 TYR A 69 3.738 -5.786 -3.003 1.00 0.00 C ATOM 1025 CD2 TYR A 69 4.913 -5.191 -4.990 1.00 0.00 C ATOM 1026 CE1 TYR A 69 3.864 -7.124 -3.324 1.00 0.00 C ATOM 1027 CE2 TYR A 69 5.042 -6.526 -5.319 1.00 0.00 C ATOM 1028 CZ TYR A 69 4.516 -7.489 -4.483 1.00 0.00 C ATOM 1029 OH TYR A 69 4.644 -8.820 -4.807 1.00 0.00 O ATOM 0 H TYR A 69 3.937 -1.095 -2.450 1.00 0.00 H new ATOM 0 HA TYR A 69 4.787 -3.604 -1.448 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.073 -3.118 -3.262 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.403 -2.730 -4.335 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.226 -5.504 -2.095 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.328 -4.440 -5.646 1.00 0.00 H new ATOM 0 HE1 TYR A 69 3.454 -7.880 -2.671 1.00 0.00 H new ATOM 0 HE2 TYR A 69 5.552 -6.815 -6.226 1.00 0.00 H new ATOM 0 HH TYR A 69 5.128 -8.905 -5.655 1.00 0.00 H new ATOM 1039 N GLN A 70 6.860 -2.091 -3.544 1.00 0.00 N ATOM 1040 CA GLN A 70 8.251 -2.039 -3.979 1.00 0.00 C ATOM 1041 C GLN A 70 9.190 -1.893 -2.785 1.00 0.00 C ATOM 1042 O GLN A 70 10.224 -2.557 -2.710 1.00 0.00 O ATOM 1043 CB GLN A 70 8.461 -0.878 -4.952 1.00 0.00 C ATOM 1044 CG GLN A 70 7.727 -1.050 -6.272 1.00 0.00 C ATOM 1045 CD GLN A 70 8.533 -1.833 -7.290 1.00 0.00 C ATOM 1046 OE1 GLN A 70 9.595 -2.372 -6.976 1.00 0.00 O ATOM 1047 NE2 GLN A 70 8.032 -1.900 -8.518 1.00 0.00 N ATOM 0 H GLN A 70 6.251 -1.407 -3.994 1.00 0.00 H new ATOM 0 HA GLN A 70 8.481 -2.975 -4.487 1.00 0.00 H new ATOM 0 HB2 GLN A 70 8.129 0.046 -4.479 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.527 -0.769 -5.150 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.781 -1.560 -6.093 1.00 0.00 H new ATOM 0 HG3 GLN A 70 7.488 -0.068 -6.681 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.149 -1.438 -8.734 1.00 0.00 H new ATOM 0 HE22 GLN A 70 8.531 -2.413 -9.245 1.00 0.00 H new ATOM 1056 N LYS A 71 8.822 -1.021 -1.853 1.00 0.00 N ATOM 1057 CA LYS A 71 9.630 -0.787 -0.662 1.00 0.00 C ATOM 1058 C LYS A 71 9.941 -2.100 0.050 1.00 0.00 C ATOM 1059 O LYS A 71 11.024 -2.272 0.611 1.00 0.00 O ATOM 1060 CB LYS A 71 8.905 0.164 0.293 1.00 0.00 C ATOM 1061 CG LYS A 71 9.190 1.631 0.023 1.00 0.00 C ATOM 1062 CD LYS A 71 10.608 2.005 0.420 1.00 0.00 C ATOM 1063 CE LYS A 71 10.757 3.507 0.607 1.00 0.00 C ATOM 1064 NZ LYS A 71 11.832 3.841 1.582 1.00 0.00 N ATOM 0 H LYS A 71 7.969 -0.464 -1.899 1.00 0.00 H new ATOM 0 HA LYS A 71 10.570 -0.331 -0.974 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.831 -0.009 0.219 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.195 -0.071 1.317 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.039 1.843 -1.036 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.482 2.248 0.576 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.875 1.494 1.345 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.304 1.662 -0.346 1.00 0.00 H new ATOM 0 HE2 LYS A 71 10.980 3.972 -0.353 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.811 3.926 0.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.902 4.874 1.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.607 3.419 2.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 12.739 3.464 1.241 1.00 0.00 H new ATOM 1078 N LEU A 72 8.986 -3.023 0.023 1.00 0.00 N ATOM 1079 CA LEU A 72 9.158 -4.322 0.665 1.00 0.00 C ATOM 1080 C LEU A 72 10.070 -5.221 -0.163 1.00 0.00 C ATOM 1081 O LEU A 72 10.997 -5.837 0.364 1.00 0.00 O ATOM 1082 CB LEU A 72 7.801 -4.998 0.865 1.00 0.00 C ATOM 1083 CG LEU A 72 7.077 -4.675 2.173 1.00 0.00 C ATOM 1084 CD1 LEU A 72 5.687 -5.293 2.179 1.00 0.00 C ATOM 1085 CD2 LEU A 72 7.885 -5.165 3.365 1.00 0.00 C ATOM 0 H LEU A 72 8.084 -2.896 -0.437 1.00 0.00 H new ATOM 0 HA LEU A 72 9.623 -4.161 1.638 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.152 -4.718 0.035 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.943 -6.077 0.809 1.00 0.00 H new ATOM 0 HG LEU A 72 6.972 -3.593 2.251 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.186 -5.053 3.117 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.108 -4.894 1.346 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.770 -6.375 2.078 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.355 -4.927 4.287 1.00 0.00 H new ATOM 0 HD22 LEU A 72 8.021 -6.244 3.293 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.859 -4.676 3.370 1.00 0.00 H new ATOM 1097 N LEU A 73 9.803 -5.291 -1.462 1.00 0.00 N ATOM 1098 CA LEU A 73 10.601 -6.114 -2.365 1.00 0.00 C ATOM 1099 C LEU A 73 12.084 -5.781 -2.237 1.00 0.00 C ATOM 1100 O LEU A 73 12.945 -6.626 -2.481 1.00 0.00 O ATOM 1101 CB LEU A 73 10.143 -5.911 -3.810 1.00 0.00 C ATOM 1102 CG LEU A 73 8.658 -6.147 -4.084 1.00 0.00 C ATOM 1103 CD1 LEU A 73 8.295 -5.695 -5.489 1.00 0.00 C ATOM 1104 CD2 LEU A 73 8.306 -7.615 -3.886 1.00 0.00 C ATOM 0 H LEU A 73 9.040 -4.788 -1.914 1.00 0.00 H new ATOM 0 HA LEU A 73 10.457 -7.159 -2.089 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.389 -4.892 -4.108 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.720 -6.578 -4.450 1.00 0.00 H new ATOM 0 HG LEU A 73 8.079 -5.556 -3.374 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.234 -5.871 -5.665 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.509 -4.632 -5.596 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.882 -6.258 -6.215 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.245 -7.765 -4.085 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.894 -8.226 -4.571 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.527 -7.907 -2.859 1.00 0.00 H new ATOM 1116 N LYS A 74 12.376 -4.543 -1.851 1.00 0.00 N ATOM 1117 CA LYS A 74 13.754 -4.098 -1.687 1.00 0.00 C ATOM 1118 C LYS A 74 14.210 -4.259 -0.240 1.00 0.00 C ATOM 1119 O LYS A 74 15.257 -4.847 0.029 1.00 0.00 O ATOM 1120 CB LYS A 74 13.894 -2.636 -2.117 1.00 0.00 C ATOM 1121 CG LYS A 74 13.980 -2.450 -3.622 1.00 0.00 C ATOM 1122 CD LYS A 74 12.606 -2.497 -4.269 1.00 0.00 C ATOM 1123 CE LYS A 74 12.696 -2.342 -5.779 1.00 0.00 C ATOM 1124 NZ LYS A 74 12.654 -0.912 -6.194 1.00 0.00 N ATOM 0 H LYS A 74 11.676 -3.830 -1.646 1.00 0.00 H new ATOM 0 HA LYS A 74 14.387 -4.719 -2.320 1.00 0.00 H new ATOM 0 HB2 LYS A 74 13.042 -2.071 -1.738 1.00 0.00 H new ATOM 0 HB3 LYS A 74 14.787 -2.214 -1.656 1.00 0.00 H new ATOM 0 HG2 LYS A 74 14.456 -1.495 -3.845 1.00 0.00 H new ATOM 0 HG3 LYS A 74 14.612 -3.228 -4.050 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.121 -3.443 -4.027 1.00 0.00 H new ATOM 0 HD3 LYS A 74 11.981 -1.704 -3.857 1.00 0.00 H new ATOM 0 HE2 LYS A 74 13.620 -2.797 -6.136 1.00 0.00 H new ATOM 0 HE3 LYS A 74 11.873 -2.881 -6.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 12.718 -0.849 -7.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 11.761 -0.484 -5.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 13.454 -0.403 -5.766 1.00 0.00 H new