USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 557 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 74 THR OG1 : rot 180:sc= -0.16 USER MOD Set 1.2: A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0.00811 USER MOD Single : A 10 SER OG : rot 77:sc= 0.0141 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.327 K(o=-0.33,f=-1.4!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 MET CE :methyl -119:sc= 0 (180deg=-0.159) USER MOD Single : A 17 LYS NZ :NH3+ 161:sc= -0.0345 (180deg=-0.44) USER MOD Single : A 18 HIS : no HD1:sc= -0.124 X(o=-0.12,f=-0.61) USER MOD Single : A 20 THR OG1 : rot -114:sc= -1.45! USER MOD Single : A 21 LYS NZ :NH3+ -175:sc= -1.73 (180deg=-1.9) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -29:sc= 0.592 USER MOD Single : A 29 SER OG : rot -49:sc= 0.793 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 33 SER OG : rot 60:sc= 0.693 USER MOD Single : A 34 GLN : amide:sc= -2.63! C(o=-2.6!,f=-5.1!) USER MOD Single : A 37 GLN : amide:sc= -0.447 K(o=-0.45,f=-1.2) USER MOD Single : A 38 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.27) USER MOD Single : A 44 THR OG1 : rot -68:sc= 1.04 USER MOD Single : A 48 SER OG : rot 13:sc= 0.164 USER MOD Single : A 49 SER OG : rot -26:sc= 0.113 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -43:sc= 0.445 USER MOD Single : A 56 THR OG1 : rot -9:sc= -0.55 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 166:sc=-0.00165 (180deg=-0.166) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ALA A 6 -1.070 -16.179 9.466 1.00 1.00 N ATOM 67 CA ALA A 6 0.285 -15.887 9.034 1.00 1.00 C ATOM 68 C ALA A 6 0.348 -15.781 7.518 1.00 1.00 C ATOM 69 O ALA A 6 0.281 -16.780 6.802 1.00 1.00 O ATOM 70 CB ALA A 6 1.230 -16.995 9.504 1.00 1.00 C ATOM 0 HA ALA A 6 0.590 -14.936 9.470 1.00 1.00 H new ATOM 0 HB1 ALA A 6 2.245 -16.770 9.177 1.00 1.00 H new ATOM 0 HB2 ALA A 6 1.205 -17.058 10.592 1.00 1.00 H new ATOM 0 HB3 ALA A 6 0.914 -17.947 9.078 1.00 1.00 H new ATOM 76 N SER A 7 0.479 -14.552 7.048 1.00 1.00 N ATOM 77 CA SER A 7 0.556 -14.283 5.624 1.00 1.00 C ATOM 78 C SER A 7 1.934 -14.649 5.090 1.00 1.00 C ATOM 79 O SER A 7 2.820 -15.046 5.842 1.00 1.00 O ATOM 80 CB SER A 7 0.275 -12.803 5.348 1.00 1.00 C ATOM 81 OG SER A 7 1.070 -11.998 6.209 1.00 1.00 O ATOM 0 H SER A 7 0.534 -13.721 7.637 1.00 1.00 H new ATOM 0 HA SER A 7 -0.195 -14.890 5.118 1.00 1.00 H new ATOM 0 HB2 SER A 7 0.497 -12.568 4.307 1.00 1.00 H new ATOM 0 HB3 SER A 7 -0.782 -12.588 5.505 1.00 1.00 H new ATOM 0 HG SER A 7 0.890 -11.051 6.030 1.00 1.00 H new ATOM 87 N LEU A 8 2.098 -14.505 3.785 1.00 1.00 N ATOM 88 CA LEU A 8 3.369 -14.811 3.128 1.00 1.00 C ATOM 89 C LEU A 8 4.511 -13.996 3.736 1.00 1.00 C ATOM 90 O LEU A 8 5.661 -14.121 3.319 1.00 1.00 O ATOM 91 CB LEU A 8 3.273 -14.512 1.630 1.00 1.00 C ATOM 92 CG LEU A 8 2.008 -15.151 1.045 1.00 1.00 C ATOM 93 CD1 LEU A 8 1.927 -14.837 -0.452 1.00 1.00 C ATOM 94 CD2 LEU A 8 2.048 -16.670 1.257 1.00 1.00 C ATOM 0 H LEU A 8 1.367 -14.177 3.153 1.00 1.00 H new ATOM 0 HA LEU A 8 3.578 -15.870 3.277 1.00 1.00 H new ATOM 0 HB2 LEU A 8 3.254 -13.434 1.467 1.00 1.00 H new ATOM 0 HB3 LEU A 8 4.155 -14.897 1.117 1.00 1.00 H new ATOM 0 HG LEU A 8 1.130 -14.746 1.548 1.00 1.00 H new ATOM 0 HD11 LEU A 8 1.028 -15.290 -0.871 1.00 1.00 H new ATOM 0 HD12 LEU A 8 1.890 -13.757 -0.596 1.00 1.00 H new ATOM 0 HD13 LEU A 8 2.805 -15.240 -0.956 1.00 1.00 H new ATOM 0 HD21 LEU A 8 1.147 -17.119 0.840 1.00 1.00 H new ATOM 0 HD22 LEU A 8 2.924 -17.084 0.758 1.00 1.00 H new ATOM 0 HD23 LEU A 8 2.101 -16.887 2.324 1.00 1.00 H new ATOM 106 N LEU A 9 4.193 -13.171 4.725 1.00 1.00 N ATOM 107 CA LEU A 9 5.193 -12.351 5.395 1.00 1.00 C ATOM 108 C LEU A 9 5.951 -13.172 6.435 1.00 1.00 C ATOM 109 O LEU A 9 6.914 -12.700 7.038 1.00 1.00 O ATOM 110 CB LEU A 9 4.496 -11.158 6.067 1.00 1.00 C ATOM 111 CG LEU A 9 4.157 -10.083 5.018 1.00 1.00 C ATOM 112 CD1 LEU A 9 5.440 -9.411 4.488 1.00 1.00 C ATOM 113 CD2 LEU A 9 3.385 -10.732 3.861 1.00 1.00 C ATOM 0 H LEU A 9 3.245 -13.052 5.082 1.00 1.00 H new ATOM 0 HA LEU A 9 5.912 -11.989 4.660 1.00 1.00 H new ATOM 0 HB2 LEU A 9 3.585 -11.492 6.564 1.00 1.00 H new ATOM 0 HB3 LEU A 9 5.142 -10.735 6.836 1.00 1.00 H new ATOM 0 HG LEU A 9 3.541 -9.314 5.485 1.00 1.00 H new ATOM 0 HD11 LEU A 9 5.176 -8.655 3.748 1.00 1.00 H new ATOM 0 HD12 LEU A 9 5.972 -8.940 5.314 1.00 1.00 H new ATOM 0 HD13 LEU A 9 6.080 -10.163 4.026 1.00 1.00 H new ATOM 0 HD21 LEU A 9 3.143 -9.975 3.115 1.00 1.00 H new ATOM 0 HD22 LEU A 9 3.999 -11.508 3.404 1.00 1.00 H new ATOM 0 HD23 LEU A 9 2.464 -11.175 4.241 1.00 1.00 H new ATOM 125 N SER A 10 5.498 -14.396 6.652 1.00 1.00 N ATOM 126 CA SER A 10 6.133 -15.261 7.635 1.00 1.00 C ATOM 127 C SER A 10 7.570 -15.557 7.269 1.00 1.00 C ATOM 128 O SER A 10 8.496 -15.147 7.970 1.00 1.00 O ATOM 129 CB SER A 10 5.360 -16.571 7.776 1.00 1.00 C ATOM 130 OG SER A 10 3.975 -16.286 7.900 1.00 1.00 O ATOM 0 H SER A 10 4.702 -14.810 6.167 1.00 1.00 H new ATOM 0 HA SER A 10 6.124 -14.731 8.588 1.00 1.00 H new ATOM 0 HB2 SER A 10 5.536 -17.206 6.908 1.00 1.00 H new ATOM 0 HB3 SER A 10 5.710 -17.121 8.650 1.00 1.00 H new ATOM 0 HG SER A 10 3.608 -16.056 7.021 1.00 1.00 H new ATOM 136 N PHE A 11 7.762 -16.292 6.189 1.00 1.00 N ATOM 137 CA PHE A 11 9.107 -16.653 5.775 1.00 1.00 C ATOM 138 C PHE A 11 10.033 -15.445 5.866 1.00 1.00 C ATOM 139 O PHE A 11 11.130 -15.539 6.415 1.00 1.00 O ATOM 140 CB PHE A 11 9.083 -17.164 4.336 1.00 1.00 C ATOM 141 CG PHE A 11 8.372 -18.493 4.289 1.00 1.00 C ATOM 142 CD1 PHE A 11 9.089 -19.677 4.491 1.00 1.00 C ATOM 143 CD2 PHE A 11 6.995 -18.540 4.043 1.00 1.00 C ATOM 144 CE1 PHE A 11 8.429 -20.910 4.443 1.00 1.00 C ATOM 145 CE2 PHE A 11 6.334 -19.773 3.997 1.00 1.00 C ATOM 146 CZ PHE A 11 7.052 -20.958 4.197 1.00 1.00 C ATOM 0 H PHE A 11 7.017 -16.647 5.590 1.00 1.00 H new ATOM 0 HA PHE A 11 9.477 -17.436 6.437 1.00 1.00 H new ATOM 0 HB2 PHE A 11 8.577 -16.445 3.691 1.00 1.00 H new ATOM 0 HB3 PHE A 11 10.100 -17.270 3.959 1.00 1.00 H new ATOM 0 HD1 PHE A 11 10.151 -19.640 4.684 1.00 1.00 H new ATOM 0 HD2 PHE A 11 6.442 -17.625 3.889 1.00 1.00 H new ATOM 0 HE1 PHE A 11 8.982 -21.825 4.596 1.00 1.00 H new ATOM 0 HE2 PHE A 11 5.271 -19.810 3.807 1.00 1.00 H new ATOM 0 HZ PHE A 11 6.543 -21.910 4.161 1.00 1.00 H new ATOM 156 N MET A 12 9.601 -14.324 5.304 1.00 1.00 N ATOM 157 CA MET A 12 10.426 -13.117 5.307 1.00 1.00 C ATOM 158 C MET A 12 10.702 -12.659 6.731 1.00 1.00 C ATOM 159 O MET A 12 11.828 -12.761 7.210 1.00 1.00 O ATOM 160 CB MET A 12 9.719 -12.000 4.531 1.00 1.00 C ATOM 161 CG MET A 12 10.671 -10.813 4.344 1.00 1.00 C ATOM 162 SD MET A 12 11.990 -11.271 3.190 1.00 1.00 S ATOM 163 CE MET A 12 11.214 -10.636 1.683 1.00 1.00 C ATOM 0 H MET A 12 8.696 -14.222 4.845 1.00 1.00 H new ATOM 0 HA MET A 12 11.376 -13.347 4.825 1.00 1.00 H new ATOM 0 HB2 MET A 12 9.391 -12.371 3.560 1.00 1.00 H new ATOM 0 HB3 MET A 12 8.826 -11.680 5.068 1.00 1.00 H new ATOM 0 HG2 MET A 12 10.124 -9.951 3.963 1.00 1.00 H new ATOM 0 HG3 MET A 12 11.098 -10.521 5.303 1.00 1.00 H new ATOM 0 HE1 MET A 12 11.870 -10.817 0.832 1.00 1.00 H new ATOM 0 HE2 MET A 12 10.262 -11.143 1.522 1.00 1.00 H new ATOM 0 HE3 MET A 12 11.041 -9.565 1.786 1.00 1.00 H new ATOM 173 N GLN A 13 9.668 -12.149 7.396 1.00 1.00 N ATOM 174 CA GLN A 13 9.803 -11.669 8.777 1.00 1.00 C ATOM 175 C GLN A 13 10.852 -12.484 9.533 1.00 1.00 C ATOM 176 O GLN A 13 11.793 -11.926 10.096 1.00 1.00 O ATOM 177 CB GLN A 13 8.453 -11.765 9.493 1.00 1.00 C ATOM 178 CG GLN A 13 7.533 -10.639 9.015 1.00 1.00 C ATOM 179 CD GLN A 13 6.135 -10.843 9.585 1.00 1.00 C ATOM 180 OE1 GLN A 13 5.907 -11.785 10.344 1.00 1.00 O ATOM 181 NE2 GLN A 13 5.182 -10.015 9.263 1.00 1.00 N ATOM 0 H GLN A 13 8.730 -12.056 7.007 1.00 1.00 H new ATOM 0 HA GLN A 13 10.127 -10.629 8.753 1.00 1.00 H new ATOM 0 HB2 GLN A 13 7.993 -12.733 9.293 1.00 1.00 H new ATOM 0 HB3 GLN A 13 8.597 -11.697 10.571 1.00 1.00 H new ATOM 0 HG2 GLN A 13 7.928 -9.674 9.332 1.00 1.00 H new ATOM 0 HG3 GLN A 13 7.494 -10.626 7.926 1.00 1.00 H new ATOM 0 HE21 GLN A 13 5.375 -9.236 8.634 1.00 1.00 H new ATOM 0 HE22 GLN A 13 4.243 -10.146 9.640 1.00 1.00 H new ATOM 190 N GLY A 14 10.691 -13.803 9.532 1.00 1.00 N ATOM 191 CA GLY A 14 11.640 -14.671 10.212 1.00 1.00 C ATOM 192 C GLY A 14 12.999 -14.678 9.508 1.00 1.00 C ATOM 193 O GLY A 14 14.041 -14.707 10.153 1.00 1.00 O ATOM 0 H GLY A 14 9.920 -14.289 9.073 1.00 1.00 H new ATOM 0 HA2 GLY A 14 11.765 -14.339 11.243 1.00 1.00 H new ATOM 0 HA3 GLY A 14 11.244 -15.686 10.250 1.00 1.00 H new ATOM 197 N TYR A 15 12.989 -14.670 8.182 1.00 1.00 N ATOM 198 CA TYR A 15 14.242 -14.692 7.427 1.00 1.00 C ATOM 199 C TYR A 15 15.231 -13.705 8.000 1.00 1.00 C ATOM 200 O TYR A 15 16.294 -14.089 8.489 1.00 1.00 O ATOM 201 CB TYR A 15 13.970 -14.373 5.953 1.00 1.00 C ATOM 202 CG TYR A 15 15.239 -14.496 5.153 1.00 1.00 C ATOM 203 CD1 TYR A 15 15.677 -15.756 4.740 1.00 1.00 C ATOM 204 CD2 TYR A 15 15.970 -13.352 4.814 1.00 1.00 C ATOM 205 CE1 TYR A 15 16.847 -15.878 3.985 1.00 1.00 C ATOM 206 CE2 TYR A 15 17.143 -13.472 4.061 1.00 1.00 C ATOM 207 CZ TYR A 15 17.581 -14.734 3.645 1.00 1.00 C ATOM 208 OH TYR A 15 18.733 -14.851 2.900 1.00 1.00 O ATOM 0 H TYR A 15 12.144 -14.649 7.611 1.00 1.00 H new ATOM 0 HA TYR A 15 14.673 -15.690 7.503 1.00 1.00 H new ATOM 0 HB2 TYR A 15 13.215 -15.054 5.559 1.00 1.00 H new ATOM 0 HB3 TYR A 15 13.569 -13.364 5.860 1.00 1.00 H new ATOM 0 HD1 TYR A 15 15.111 -16.637 5.004 1.00 1.00 H new ATOM 0 HD2 TYR A 15 15.629 -12.378 5.133 1.00 1.00 H new ATOM 0 HE1 TYR A 15 17.185 -16.852 3.664 1.00 1.00 H new ATOM 0 HE2 TYR A 15 17.710 -12.591 3.801 1.00 1.00 H new ATOM 0 HH TYR A 15 19.118 -13.962 2.752 1.00 1.00 H new ATOM 218 N MET A 16 14.895 -12.442 7.926 1.00 1.00 N ATOM 219 CA MET A 16 15.789 -11.425 8.436 1.00 1.00 C ATOM 220 C MET A 16 16.124 -11.734 9.887 1.00 1.00 C ATOM 221 O MET A 16 17.215 -11.413 10.360 1.00 1.00 O ATOM 222 CB MET A 16 15.117 -10.050 8.350 1.00 1.00 C ATOM 223 CG MET A 16 13.662 -10.158 8.827 1.00 1.00 C ATOM 224 SD MET A 16 12.842 -8.547 8.690 1.00 1.00 S ATOM 225 CE MET A 16 13.535 -7.781 10.177 1.00 1.00 C ATOM 0 H MET A 16 14.024 -12.094 7.525 1.00 1.00 H new ATOM 0 HA MET A 16 16.702 -11.415 7.840 1.00 1.00 H new ATOM 0 HB2 MET A 16 15.659 -9.330 8.963 1.00 1.00 H new ATOM 0 HB3 MET A 16 15.148 -9.682 7.324 1.00 1.00 H new ATOM 0 HG2 MET A 16 13.129 -10.898 8.230 1.00 1.00 H new ATOM 0 HG3 MET A 16 13.634 -10.502 9.861 1.00 1.00 H new ATOM 0 HE1 MET A 16 12.728 -7.521 10.862 1.00 1.00 H new ATOM 0 HE2 MET A 16 14.213 -8.481 10.664 1.00 1.00 H new ATOM 0 HE3 MET A 16 14.081 -6.879 9.901 1.00 1.00 H new ATOM 235 N LYS A 17 15.193 -12.373 10.586 1.00 1.00 N ATOM 236 CA LYS A 17 15.432 -12.728 11.981 1.00 1.00 C ATOM 237 C LYS A 17 16.575 -13.731 12.090 1.00 1.00 C ATOM 238 O LYS A 17 17.434 -13.625 12.965 1.00 1.00 O ATOM 239 CB LYS A 17 14.159 -13.293 12.626 1.00 1.00 C ATOM 240 CG LYS A 17 14.228 -13.134 14.147 1.00 1.00 C ATOM 241 CD LYS A 17 12.901 -13.584 14.755 1.00 1.00 C ATOM 242 CE LYS A 17 12.976 -13.483 16.276 1.00 1.00 C ATOM 243 NZ LYS A 17 13.146 -12.057 16.668 1.00 1.00 N ATOM 0 H LYS A 17 14.283 -12.652 10.220 1.00 1.00 H new ATOM 0 HA LYS A 17 15.714 -11.822 12.518 1.00 1.00 H new ATOM 0 HB2 LYS A 17 13.283 -12.774 12.237 1.00 1.00 H new ATOM 0 HB3 LYS A 17 14.047 -14.346 12.367 1.00 1.00 H new ATOM 0 HG2 LYS A 17 15.048 -13.728 14.551 1.00 1.00 H new ATOM 0 HG3 LYS A 17 14.429 -12.095 14.408 1.00 1.00 H new ATOM 0 HD2 LYS A 17 12.088 -12.964 14.379 1.00 1.00 H new ATOM 0 HD3 LYS A 17 12.683 -14.610 14.459 1.00 1.00 H new ATOM 0 HE2 LYS A 17 12.069 -13.889 16.724 1.00 1.00 H new ATOM 0 HE3 LYS A 17 13.810 -14.077 16.650 1.00 1.00 H new ATOM 0 HZ1 LYS A 17 12.880 -11.937 17.666 1.00 1.00 H new ATOM 0 HZ2 LYS A 17 14.139 -11.777 16.539 1.00 1.00 H new ATOM 0 HZ3 LYS A 17 12.538 -11.459 16.073 1.00 1.00 H new ATOM 257 N HIS A 18 16.558 -14.723 11.204 1.00 1.00 N ATOM 258 CA HIS A 18 17.580 -15.763 11.201 1.00 1.00 C ATOM 259 C HIS A 18 18.845 -15.294 10.491 1.00 1.00 C ATOM 260 O HIS A 18 19.945 -15.423 11.026 1.00 1.00 O ATOM 261 CB HIS A 18 17.048 -17.018 10.510 1.00 1.00 C ATOM 262 CG HIS A 18 18.016 -18.152 10.716 1.00 1.00 C ATOM 263 ND1 HIS A 18 19.112 -18.348 9.891 1.00 1.00 N ATOM 264 CD2 HIS A 18 18.066 -19.156 11.652 1.00 1.00 C ATOM 265 CE1 HIS A 18 19.768 -19.434 10.339 1.00 1.00 C ATOM 266 NE2 HIS A 18 19.173 -19.964 11.411 1.00 1.00 N ATOM 0 H HIS A 18 15.848 -14.828 10.480 1.00 1.00 H new ATOM 0 HA HIS A 18 17.828 -15.989 12.238 1.00 1.00 H new ATOM 0 HB2 HIS A 18 16.071 -17.282 10.914 1.00 1.00 H new ATOM 0 HB3 HIS A 18 16.913 -16.830 9.445 1.00 1.00 H new ATOM 0 HD2 HIS A 18 17.355 -19.297 12.453 1.00 1.00 H new ATOM 0 HE1 HIS A 18 20.666 -19.829 9.887 1.00 1.00 H new ATOM 0 HE2 HIS A 18 19.467 -20.785 11.940 1.00 1.00 H new ATOM 274 N ALA A 19 18.697 -14.782 9.270 1.00 1.00 N ATOM 275 CA ALA A 19 19.856 -14.339 8.501 1.00 1.00 C ATOM 276 C ALA A 19 20.673 -13.321 9.267 1.00 1.00 C ATOM 277 O ALA A 19 21.862 -13.135 9.002 1.00 1.00 O ATOM 278 CB ALA A 19 19.392 -13.738 7.177 1.00 1.00 C ATOM 0 H ALA A 19 17.800 -14.665 8.799 1.00 1.00 H new ATOM 0 HA ALA A 19 20.490 -15.206 8.313 1.00 1.00 H new ATOM 0 HB1 ALA A 19 20.258 -13.408 6.604 1.00 1.00 H new ATOM 0 HB2 ALA A 19 18.846 -14.490 6.608 1.00 1.00 H new ATOM 0 HB3 ALA A 19 18.740 -12.887 7.373 1.00 1.00 H new ATOM 284 N THR A 20 20.045 -12.690 10.226 1.00 1.00 N ATOM 285 CA THR A 20 20.745 -11.713 11.046 1.00 1.00 C ATOM 286 C THR A 20 21.765 -12.434 11.931 1.00 1.00 C ATOM 287 O THR A 20 22.706 -11.825 12.435 1.00 1.00 O ATOM 288 CB THR A 20 19.738 -10.932 11.913 1.00 1.00 C ATOM 289 OG1 THR A 20 18.679 -11.796 12.287 1.00 1.00 O ATOM 290 CG2 THR A 20 19.166 -9.739 11.137 1.00 1.00 C ATOM 0 H THR A 20 19.062 -12.827 10.463 1.00 1.00 H new ATOM 0 HA THR A 20 21.267 -11.004 10.403 1.00 1.00 H new ATOM 0 HB THR A 20 20.252 -10.559 12.799 1.00 1.00 H new ATOM 0 HG1 THR A 20 17.847 -11.494 11.866 1.00 1.00 H new ATOM 0 HG21 THR A 20 18.457 -9.201 11.767 1.00 1.00 H new ATOM 0 HG22 THR A 20 19.977 -9.070 10.849 1.00 1.00 H new ATOM 0 HG23 THR A 20 18.657 -10.097 10.242 1.00 1.00 H new ATOM 298 N LYS A 21 21.584 -13.743 12.086 1.00 1.00 N ATOM 299 CA LYS A 21 22.516 -14.542 12.879 1.00 1.00 C ATOM 300 C LYS A 21 23.876 -14.633 12.192 1.00 1.00 C ATOM 301 O LYS A 21 24.918 -14.621 12.849 1.00 1.00 O ATOM 302 CB LYS A 21 21.959 -15.941 13.130 1.00 1.00 C ATOM 303 CG LYS A 21 20.728 -15.825 14.028 1.00 1.00 C ATOM 304 CD LYS A 21 20.163 -17.216 14.306 1.00 1.00 C ATOM 305 CE LYS A 21 18.997 -17.107 15.291 1.00 1.00 C ATOM 306 NZ LYS A 21 17.912 -16.278 14.695 1.00 1.00 N ATOM 0 H LYS A 21 20.811 -14.269 11.679 1.00 1.00 H new ATOM 0 HA LYS A 21 22.645 -14.044 13.840 1.00 1.00 H new ATOM 0 HB2 LYS A 21 21.694 -16.417 12.186 1.00 1.00 H new ATOM 0 HB3 LYS A 21 22.714 -16.569 13.603 1.00 1.00 H new ATOM 0 HG2 LYS A 21 20.994 -15.336 14.965 1.00 1.00 H new ATOM 0 HG3 LYS A 21 19.972 -15.204 13.547 1.00 1.00 H new ATOM 0 HD2 LYS A 21 19.826 -17.675 13.377 1.00 1.00 H new ATOM 0 HD3 LYS A 21 20.940 -17.860 14.716 1.00 1.00 H new ATOM 0 HE2 LYS A 21 18.618 -18.100 15.532 1.00 1.00 H new ATOM 0 HE3 LYS A 21 19.338 -16.660 16.225 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 17.159 -16.135 15.397 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 18.298 -15.356 14.408 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 17.521 -16.764 13.862 1.00 1.00 H new ATOM 320 N THR A 22 23.852 -14.749 10.866 1.00 1.00 N ATOM 321 CA THR A 22 25.088 -14.873 10.091 1.00 1.00 C ATOM 322 C THR A 22 26.008 -13.668 10.304 1.00 1.00 C ATOM 323 O THR A 22 27.185 -13.708 9.950 1.00 1.00 O ATOM 324 CB THR A 22 24.755 -15.010 8.604 1.00 1.00 C ATOM 325 OG1 THR A 22 23.796 -16.043 8.431 1.00 1.00 O ATOM 326 CG2 THR A 22 26.025 -15.362 7.824 1.00 1.00 C ATOM 0 H THR A 22 22.998 -14.760 10.308 1.00 1.00 H new ATOM 0 HA THR A 22 25.613 -15.764 10.437 1.00 1.00 H new ATOM 0 HB THR A 22 24.351 -14.068 8.234 1.00 1.00 H new ATOM 0 HG1 THR A 22 23.579 -16.132 7.479 1.00 1.00 H new ATOM 0 HG21 THR A 22 25.786 -15.459 6.765 1.00 1.00 H new ATOM 0 HG22 THR A 22 26.765 -14.573 7.958 1.00 1.00 H new ATOM 0 HG23 THR A 22 26.429 -16.305 8.193 1.00 1.00 H new ATOM 334 N ALA A 23 25.467 -12.606 10.879 1.00 1.00 N ATOM 335 CA ALA A 23 26.236 -11.402 11.136 1.00 1.00 C ATOM 336 C ALA A 23 27.560 -11.752 11.798 1.00 1.00 C ATOM 337 O ALA A 23 28.616 -11.350 11.328 1.00 1.00 O ATOM 338 CB ALA A 23 25.436 -10.467 12.044 1.00 1.00 C ATOM 0 H ALA A 23 24.493 -12.555 11.177 1.00 1.00 H new ATOM 0 HA ALA A 23 26.439 -10.903 10.188 1.00 1.00 H new ATOM 0 HB1 ALA A 23 26.015 -9.563 12.236 1.00 1.00 H new ATOM 0 HB2 ALA A 23 24.498 -10.201 11.556 1.00 1.00 H new ATOM 0 HB3 ALA A 23 25.224 -10.970 12.988 1.00 1.00 H new ATOM 344 N LYS A 24 27.498 -12.503 12.889 1.00 1.00 N ATOM 345 CA LYS A 24 28.710 -12.903 13.600 1.00 1.00 C ATOM 346 C LYS A 24 29.720 -13.522 12.627 1.00 1.00 C ATOM 347 O LYS A 24 30.730 -12.917 12.282 1.00 1.00 O ATOM 348 CB LYS A 24 28.330 -13.917 14.681 1.00 1.00 C ATOM 349 CG LYS A 24 29.540 -14.217 15.566 1.00 1.00 C ATOM 350 CD LYS A 24 29.113 -15.122 16.731 1.00 1.00 C ATOM 351 CE LYS A 24 28.837 -16.547 16.233 1.00 1.00 C ATOM 352 NZ LYS A 24 28.809 -17.477 17.398 1.00 1.00 N ATOM 0 H LYS A 24 26.630 -12.847 13.300 1.00 1.00 H new ATOM 0 HA LYS A 24 29.172 -12.028 14.058 1.00 1.00 H new ATOM 0 HB2 LYS A 24 27.514 -13.525 15.288 1.00 1.00 H new ATOM 0 HB3 LYS A 24 27.971 -14.836 14.219 1.00 1.00 H new ATOM 0 HG2 LYS A 24 30.320 -14.704 14.981 1.00 1.00 H new ATOM 0 HG3 LYS A 24 29.962 -13.288 15.949 1.00 1.00 H new ATOM 0 HD2 LYS A 24 29.895 -15.141 17.490 1.00 1.00 H new ATOM 0 HD3 LYS A 24 28.219 -14.717 17.205 1.00 1.00 H new ATOM 0 HE2 LYS A 24 27.886 -16.582 15.702 1.00 1.00 H new ATOM 0 HE3 LYS A 24 29.608 -16.854 15.526 1.00 1.00 H new ATOM 0 HZ1 LYS A 24 28.622 -18.445 17.065 1.00 1.00 H new ATOM 0 HZ2 LYS A 24 29.727 -17.450 17.886 1.00 1.00 H new ATOM 0 HZ3 LYS A 24 28.058 -17.186 18.056 1.00 1.00 H new ATOM 366 N ASP A 25 29.443 -14.749 12.219 1.00 1.00 N ATOM 367 CA ASP A 25 30.328 -15.477 11.322 1.00 1.00 C ATOM 368 C ASP A 25 30.768 -14.545 10.203 1.00 1.00 C ATOM 369 O ASP A 25 31.935 -14.534 9.810 1.00 1.00 O ATOM 370 CB ASP A 25 29.600 -16.691 10.732 1.00 1.00 C ATOM 371 CG ASP A 25 29.405 -17.765 11.800 1.00 1.00 C ATOM 372 OD1 ASP A 25 30.047 -17.670 12.834 1.00 1.00 O ATOM 373 OD2 ASP A 25 28.615 -18.664 11.568 1.00 1.00 O ATOM 0 H ASP A 25 28.608 -15.265 12.496 1.00 1.00 H new ATOM 0 HA ASP A 25 31.199 -15.829 11.875 1.00 1.00 H new ATOM 0 HB2 ASP A 25 28.633 -16.385 10.334 1.00 1.00 H new ATOM 0 HB3 ASP A 25 30.173 -17.097 9.899 1.00 1.00 H new ATOM 378 N ALA A 26 29.834 -13.740 9.719 1.00 1.00 N ATOM 379 CA ALA A 26 30.145 -12.777 8.676 1.00 1.00 C ATOM 380 C ALA A 26 31.064 -11.689 9.229 1.00 1.00 C ATOM 381 O ALA A 26 31.999 -11.254 8.555 1.00 1.00 O ATOM 382 CB ALA A 26 28.859 -12.137 8.156 1.00 1.00 C ATOM 0 H ALA A 26 28.862 -13.735 10.029 1.00 1.00 H new ATOM 0 HA ALA A 26 30.647 -13.295 7.859 1.00 1.00 H new ATOM 0 HB1 ALA A 26 29.101 -11.417 7.375 1.00 1.00 H new ATOM 0 HB2 ALA A 26 28.207 -12.910 7.748 1.00 1.00 H new ATOM 0 HB3 ALA A 26 28.350 -11.628 8.974 1.00 1.00 H new ATOM 388 N LEU A 27 30.784 -11.242 10.455 1.00 1.00 N ATOM 389 CA LEU A 27 31.602 -10.188 11.069 1.00 1.00 C ATOM 390 C LEU A 27 33.052 -10.632 11.178 1.00 1.00 C ATOM 391 O LEU A 27 33.966 -9.872 10.879 1.00 1.00 O ATOM 392 CB LEU A 27 31.056 -9.817 12.465 1.00 1.00 C ATOM 393 CG LEU A 27 29.858 -8.848 12.336 1.00 1.00 C ATOM 394 CD1 LEU A 27 28.931 -8.997 13.550 1.00 1.00 C ATOM 395 CD2 LEU A 27 30.362 -7.399 12.278 1.00 1.00 C ATOM 0 H LEU A 27 30.016 -11.582 11.033 1.00 1.00 H new ATOM 0 HA LEU A 27 31.553 -9.306 10.430 1.00 1.00 H new ATOM 0 HB2 LEU A 27 30.747 -10.719 12.993 1.00 1.00 H new ATOM 0 HB3 LEU A 27 31.844 -9.354 13.059 1.00 1.00 H new ATOM 0 HG LEU A 27 29.313 -9.088 11.423 1.00 1.00 H new ATOM 0 HD11 LEU A 27 28.090 -8.311 13.452 1.00 1.00 H new ATOM 0 HD12 LEU A 27 28.560 -10.021 13.601 1.00 1.00 H new ATOM 0 HD13 LEU A 27 29.484 -8.765 14.460 1.00 1.00 H new ATOM 0 HD21 LEU A 27 29.513 -6.722 12.187 1.00 1.00 H new ATOM 0 HD22 LEU A 27 30.914 -7.169 13.189 1.00 1.00 H new ATOM 0 HD23 LEU A 27 31.018 -7.276 11.416 1.00 1.00 H new ATOM 407 N SER A 28 33.253 -11.855 11.601 1.00 1.00 N ATOM 408 CA SER A 28 34.601 -12.387 11.736 1.00 1.00 C ATOM 409 C SER A 28 35.281 -12.376 10.372 1.00 1.00 C ATOM 410 O SER A 28 36.507 -12.312 10.272 1.00 1.00 O ATOM 411 CB SER A 28 34.543 -13.818 12.273 1.00 1.00 C ATOM 412 OG SER A 28 33.786 -14.624 11.381 1.00 1.00 O ATOM 0 H SER A 28 32.510 -12.504 11.859 1.00 1.00 H new ATOM 0 HA SER A 28 35.168 -11.771 12.433 1.00 1.00 H new ATOM 0 HB2 SER A 28 35.551 -14.220 12.379 1.00 1.00 H new ATOM 0 HB3 SER A 28 34.090 -13.829 13.264 1.00 1.00 H new ATOM 0 HG SER A 28 33.118 -14.070 10.926 1.00 1.00 H new ATOM 418 N SER A 29 34.460 -12.442 9.326 1.00 1.00 N ATOM 419 CA SER A 29 34.986 -12.441 7.951 1.00 1.00 C ATOM 420 C SER A 29 35.415 -11.039 7.500 1.00 1.00 C ATOM 421 O SER A 29 35.855 -10.857 6.366 1.00 1.00 O ATOM 422 CB SER A 29 33.953 -12.994 6.967 1.00 1.00 C ATOM 423 OG SER A 29 33.065 -11.956 6.583 1.00 1.00 O ATOM 0 H SER A 29 33.444 -12.496 9.395 1.00 1.00 H new ATOM 0 HA SER A 29 35.865 -13.085 7.955 1.00 1.00 H new ATOM 0 HB2 SER A 29 34.453 -13.403 6.089 1.00 1.00 H new ATOM 0 HB3 SER A 29 33.397 -13.811 7.427 1.00 1.00 H new ATOM 0 HG SER A 29 32.734 -11.496 7.383 1.00 1.00 H new ATOM 429 N VAL A 30 35.275 -10.047 8.378 1.00 1.00 N ATOM 430 CA VAL A 30 35.639 -8.667 8.035 1.00 1.00 C ATOM 431 C VAL A 30 37.078 -8.550 7.521 1.00 1.00 C ATOM 432 O VAL A 30 37.538 -7.450 7.225 1.00 1.00 O ATOM 433 CB VAL A 30 35.457 -7.752 9.253 1.00 1.00 C ATOM 434 CG1 VAL A 30 33.947 -7.582 9.549 1.00 1.00 C ATOM 435 CG2 VAL A 30 36.196 -8.348 10.478 1.00 1.00 C ATOM 0 H VAL A 30 34.916 -10.168 9.325 1.00 1.00 H new ATOM 0 HA VAL A 30 34.973 -8.356 7.230 1.00 1.00 H new ATOM 0 HB VAL A 30 35.884 -6.772 9.042 1.00 1.00 H new ATOM 0 HG11 VAL A 30 33.817 -6.932 10.414 1.00 1.00 H new ATOM 0 HG12 VAL A 30 33.454 -7.138 8.684 1.00 1.00 H new ATOM 0 HG13 VAL A 30 33.505 -8.556 9.757 1.00 1.00 H new ATOM 0 HG21 VAL A 30 36.062 -7.692 11.338 1.00 1.00 H new ATOM 0 HG22 VAL A 30 35.788 -9.333 10.705 1.00 1.00 H new ATOM 0 HG23 VAL A 30 37.259 -8.439 10.253 1.00 1.00 H new ATOM 445 N GLN A 31 37.778 -9.676 7.420 1.00 1.00 N ATOM 446 CA GLN A 31 39.164 -9.682 6.932 1.00 1.00 C ATOM 447 C GLN A 31 39.313 -8.782 5.715 1.00 1.00 C ATOM 448 O GLN A 31 40.426 -8.409 5.341 1.00 1.00 O ATOM 449 CB GLN A 31 39.565 -11.117 6.561 1.00 1.00 C ATOM 450 CG GLN A 31 39.632 -11.997 7.818 1.00 1.00 C ATOM 451 CD GLN A 31 39.987 -13.433 7.432 1.00 1.00 C ATOM 452 OE1 GLN A 31 40.925 -13.654 6.664 1.00 1.00 O ATOM 453 NE2 GLN A 31 39.295 -14.429 7.918 1.00 1.00 N ATOM 0 H GLN A 31 37.415 -10.596 7.667 1.00 1.00 H new ATOM 0 HA GLN A 31 39.814 -9.305 7.722 1.00 1.00 H new ATOM 0 HB2 GLN A 31 38.844 -11.532 5.857 1.00 1.00 H new ATOM 0 HB3 GLN A 31 40.533 -11.113 6.060 1.00 1.00 H new ATOM 0 HG2 GLN A 31 40.377 -11.603 8.509 1.00 1.00 H new ATOM 0 HG3 GLN A 31 38.674 -11.977 8.337 1.00 1.00 H new ATOM 0 HE21 GLN A 31 38.518 -14.248 8.554 1.00 1.00 H new ATOM 0 HE22 GLN A 31 39.532 -15.387 7.662 1.00 1.00 H new ATOM 462 N GLU A 32 38.195 -8.406 5.121 1.00 1.00 N ATOM 463 CA GLU A 32 38.232 -7.522 3.973 1.00 1.00 C ATOM 464 C GLU A 32 38.551 -6.106 4.451 1.00 1.00 C ATOM 465 O GLU A 32 38.691 -5.185 3.650 1.00 1.00 O ATOM 466 CB GLU A 32 36.877 -7.547 3.256 1.00 1.00 C ATOM 467 CG GLU A 32 37.043 -7.066 1.813 1.00 1.00 C ATOM 468 CD GLU A 32 37.756 -8.136 0.995 1.00 1.00 C ATOM 469 OE1 GLU A 32 37.951 -9.222 1.519 1.00 1.00 O ATOM 470 OE2 GLU A 32 38.098 -7.858 -0.142 1.00 1.00 O ATOM 0 H GLU A 32 37.261 -8.695 5.411 1.00 1.00 H new ATOM 0 HA GLU A 32 39.001 -7.852 3.274 1.00 1.00 H new ATOM 0 HB2 GLU A 32 36.468 -8.557 3.267 1.00 1.00 H new ATOM 0 HB3 GLU A 32 36.166 -6.910 3.782 1.00 1.00 H new ATOM 0 HG2 GLU A 32 36.068 -6.850 1.377 1.00 1.00 H new ATOM 0 HG3 GLU A 32 37.614 -6.138 1.792 1.00 1.00 H new ATOM 477 N SER A 33 38.667 -5.947 5.772 1.00 1.00 N ATOM 478 CA SER A 33 38.973 -4.644 6.354 1.00 1.00 C ATOM 479 C SER A 33 40.268 -4.118 5.774 1.00 1.00 C ATOM 480 O SER A 33 40.579 -2.930 5.893 1.00 1.00 O ATOM 481 CB SER A 33 39.092 -4.737 7.878 1.00 1.00 C ATOM 482 OG SER A 33 37.801 -4.919 8.439 1.00 1.00 O ATOM 0 H SER A 33 38.554 -6.699 6.451 1.00 1.00 H new ATOM 0 HA SER A 33 38.158 -3.961 6.114 1.00 1.00 H new ATOM 0 HB2 SER A 33 39.741 -5.568 8.154 1.00 1.00 H new ATOM 0 HB3 SER A 33 39.549 -3.830 8.275 1.00 1.00 H new ATOM 0 HG SER A 33 37.402 -5.740 8.083 1.00 1.00 H new ATOM 488 N GLN A 34 41.025 -5.008 5.145 1.00 1.00 N ATOM 489 CA GLN A 34 42.300 -4.606 4.545 1.00 1.00 C ATOM 490 C GLN A 34 42.145 -3.303 3.750 1.00 1.00 C ATOM 491 O GLN A 34 43.141 -2.706 3.344 1.00 1.00 O ATOM 492 CB GLN A 34 42.824 -5.705 3.616 1.00 1.00 C ATOM 493 CG GLN A 34 41.782 -6.024 2.535 1.00 1.00 C ATOM 494 CD GLN A 34 41.823 -4.971 1.429 1.00 1.00 C ATOM 495 OE1 GLN A 34 42.889 -4.450 1.104 1.00 1.00 O ATOM 496 NE2 GLN A 34 40.716 -4.629 0.828 1.00 1.00 N ATOM 0 H GLN A 34 40.789 -5.994 5.036 1.00 1.00 H new ATOM 0 HA GLN A 34 43.012 -4.445 5.355 1.00 1.00 H new ATOM 0 HB2 GLN A 34 43.756 -5.384 3.150 1.00 1.00 H new ATOM 0 HB3 GLN A 34 43.048 -6.603 4.192 1.00 1.00 H new ATOM 0 HG2 GLN A 34 41.976 -7.011 2.114 1.00 1.00 H new ATOM 0 HG3 GLN A 34 40.787 -6.056 2.978 1.00 1.00 H new ATOM 0 HE21 GLN A 34 39.833 -5.062 1.099 1.00 1.00 H new ATOM 0 HE22 GLN A 34 40.733 -3.928 0.087 1.00 1.00 H new ATOM 505 N VAL A 35 40.896 -2.878 3.516 1.00 1.00 N ATOM 506 CA VAL A 35 40.618 -1.650 2.762 1.00 1.00 C ATOM 507 C VAL A 35 41.637 -0.554 3.101 1.00 1.00 C ATOM 508 O VAL A 35 41.824 0.391 2.339 1.00 1.00 O ATOM 509 CB VAL A 35 39.202 -1.151 3.092 1.00 1.00 C ATOM 510 CG1 VAL A 35 38.767 -0.099 2.066 1.00 1.00 C ATOM 511 CG2 VAL A 35 38.217 -2.327 3.065 1.00 1.00 C ATOM 0 H VAL A 35 40.062 -3.368 3.839 1.00 1.00 H new ATOM 0 HA VAL A 35 40.694 -1.876 1.698 1.00 1.00 H new ATOM 0 HB VAL A 35 39.207 -0.705 4.086 1.00 1.00 H new ATOM 0 HG11 VAL A 35 37.763 0.250 2.306 1.00 1.00 H new ATOM 0 HG12 VAL A 35 39.459 0.742 2.092 1.00 1.00 H new ATOM 0 HG13 VAL A 35 38.769 -0.540 1.069 1.00 1.00 H new ATOM 0 HG21 VAL A 35 37.215 -1.968 3.300 1.00 1.00 H new ATOM 0 HG22 VAL A 35 38.217 -2.779 2.073 1.00 1.00 H new ATOM 0 HG23 VAL A 35 38.518 -3.071 3.803 1.00 1.00 H new ATOM 521 N ALA A 36 42.314 -0.699 4.232 1.00 1.00 N ATOM 522 CA ALA A 36 43.337 0.263 4.624 1.00 1.00 C ATOM 523 C ALA A 36 44.313 0.476 3.470 1.00 1.00 C ATOM 524 O ALA A 36 44.371 1.559 2.888 1.00 1.00 O ATOM 525 CB ALA A 36 44.086 -0.268 5.845 1.00 1.00 C ATOM 0 H ALA A 36 42.176 -1.466 4.890 1.00 1.00 H new ATOM 0 HA ALA A 36 42.867 1.215 4.872 1.00 1.00 H new ATOM 0 HB1 ALA A 36 44.852 0.448 6.142 1.00 1.00 H new ATOM 0 HB2 ALA A 36 43.385 -0.412 6.668 1.00 1.00 H new ATOM 0 HB3 ALA A 36 44.556 -1.220 5.598 1.00 1.00 H new ATOM 531 N GLN A 37 45.087 -0.566 3.155 1.00 1.00 N ATOM 532 CA GLN A 37 46.071 -0.480 2.074 1.00 1.00 C ATOM 533 C GLN A 37 45.462 0.268 0.891 1.00 1.00 C ATOM 534 O GLN A 37 46.096 1.156 0.317 1.00 1.00 O ATOM 535 CB GLN A 37 46.509 -1.879 1.630 1.00 1.00 C ATOM 536 CG GLN A 37 47.236 -2.583 2.781 1.00 1.00 C ATOM 537 CD GLN A 37 48.567 -1.893 3.066 1.00 1.00 C ATOM 538 OE1 GLN A 37 48.612 -0.905 3.800 1.00 1.00 O ATOM 539 NE2 GLN A 37 49.660 -2.359 2.525 1.00 1.00 N ATOM 0 H GLN A 37 45.052 -1.469 3.627 1.00 1.00 H new ATOM 0 HA GLN A 37 46.946 0.058 2.438 1.00 1.00 H new ATOM 0 HB2 GLN A 37 45.640 -2.463 1.325 1.00 1.00 H new ATOM 0 HB3 GLN A 37 47.165 -1.807 0.763 1.00 1.00 H new ATOM 0 HG2 GLN A 37 46.613 -2.571 3.675 1.00 1.00 H new ATOM 0 HG3 GLN A 37 47.408 -3.629 2.526 1.00 1.00 H new ATOM 0 HE21 GLN A 37 49.620 -3.177 1.918 1.00 1.00 H new ATOM 0 HE22 GLN A 37 50.554 -1.905 2.710 1.00 1.00 H new ATOM 548 N GLN A 38 44.226 -0.081 0.540 1.00 1.00 N ATOM 549 CA GLN A 38 43.543 0.582 -0.564 1.00 1.00 C ATOM 550 C GLN A 38 43.386 2.054 -0.223 1.00 1.00 C ATOM 551 O GLN A 38 43.926 2.914 -0.908 1.00 1.00 O ATOM 552 CB GLN A 38 42.164 -0.046 -0.770 1.00 1.00 C ATOM 553 CG GLN A 38 42.314 -1.557 -0.954 1.00 1.00 C ATOM 554 CD GLN A 38 43.070 -1.847 -2.243 1.00 1.00 C ATOM 555 OE1 GLN A 38 42.701 -1.346 -3.304 1.00 1.00 O ATOM 556 NE2 GLN A 38 44.113 -2.626 -2.213 1.00 1.00 N ATOM 0 H GLN A 38 43.683 -0.812 1.000 1.00 1.00 H new ATOM 0 HA GLN A 38 44.123 0.470 -1.480 1.00 1.00 H new ATOM 0 HB2 GLN A 38 41.525 0.165 0.087 1.00 1.00 H new ATOM 0 HB3 GLN A 38 41.680 0.391 -1.643 1.00 1.00 H new ATOM 0 HG2 GLN A 38 42.847 -1.985 -0.105 1.00 1.00 H new ATOM 0 HG3 GLN A 38 41.332 -2.028 -0.984 1.00 1.00 H new ATOM 0 HE21 GLN A 38 44.416 -3.039 -1.331 1.00 1.00 H new ATOM 0 HE22 GLN A 38 44.627 -2.823 -3.072 1.00 1.00 H new ATOM 565 N ALA A 39 42.648 2.333 0.848 1.00 1.00 N ATOM 566 CA ALA A 39 42.447 3.718 1.281 1.00 1.00 C ATOM 567 C ALA A 39 43.789 4.453 1.205 1.00 1.00 C ATOM 568 O ALA A 39 43.910 5.484 0.537 1.00 1.00 O ATOM 569 CB ALA A 39 41.909 3.764 2.711 1.00 1.00 C ATOM 0 H ALA A 39 42.184 1.632 1.426 1.00 1.00 H new ATOM 0 HA ALA A 39 41.717 4.199 0.629 1.00 1.00 H new ATOM 0 HB1 ALA A 39 41.767 4.802 3.013 1.00 1.00 H new ATOM 0 HB2 ALA A 39 40.955 3.238 2.758 1.00 1.00 H new ATOM 0 HB3 ALA A 39 42.621 3.285 3.383 1.00 1.00 H new ATOM 575 N ARG A 40 44.797 3.891 1.875 1.00 1.00 N ATOM 576 CA ARG A 40 46.147 4.467 1.871 1.00 1.00 C ATOM 577 C ARG A 40 46.674 4.608 0.450 1.00 1.00 C ATOM 578 O ARG A 40 47.745 5.156 0.214 1.00 1.00 O ATOM 579 CB ARG A 40 47.105 3.597 2.694 1.00 1.00 C ATOM 580 CG ARG A 40 46.751 3.680 4.183 1.00 1.00 C ATOM 581 CD ARG A 40 47.658 2.726 4.971 1.00 1.00 C ATOM 582 NE ARG A 40 47.349 2.789 6.398 1.00 1.00 N ATOM 583 CZ ARG A 40 47.916 1.952 7.263 1.00 1.00 C ATOM 584 NH1 ARG A 40 48.790 1.073 6.850 1.00 1.00 N ATOM 585 NH2 ARG A 40 47.596 2.006 8.527 1.00 1.00 N ATOM 0 H ARG A 40 44.706 3.038 2.427 1.00 1.00 H new ATOM 0 HA ARG A 40 46.089 5.458 2.321 1.00 1.00 H new ATOM 0 HB2 ARG A 40 47.048 2.562 2.357 1.00 1.00 H new ATOM 0 HB3 ARG A 40 48.132 3.927 2.538 1.00 1.00 H new ATOM 0 HG2 ARG A 40 46.877 4.701 4.543 1.00 1.00 H new ATOM 0 HG3 ARG A 40 45.705 3.415 4.336 1.00 1.00 H new ATOM 0 HD2 ARG A 40 47.526 1.707 4.609 1.00 1.00 H new ATOM 0 HD3 ARG A 40 48.703 2.989 4.807 1.00 1.00 H new ATOM 0 HE ARG A 40 46.687 3.487 6.737 1.00 1.00 H new ATOM 0 HH11 ARG A 40 49.039 1.027 5.862 1.00 1.00 H new ATOM 0 HH12 ARG A 40 49.223 0.433 7.516 1.00 1.00 H new ATOM 0 HH21 ARG A 40 46.912 2.689 8.851 1.00 1.00 H new ATOM 0 HH22 ARG A 40 48.030 1.365 9.191 1.00 1.00 H new ATOM 599 N GLY A 41 45.880 4.120 -0.465 1.00 1.00 N ATOM 600 CA GLY A 41 46.187 4.196 -1.891 1.00 1.00 C ATOM 601 C GLY A 41 45.735 5.548 -2.440 1.00 1.00 C ATOM 602 O GLY A 41 46.528 6.326 -2.970 1.00 1.00 O ATOM 0 H GLY A 41 44.997 3.655 -0.255 1.00 1.00 H new ATOM 0 HA2 GLY A 41 47.257 4.067 -2.050 1.00 1.00 H new ATOM 0 HA3 GLY A 41 45.685 3.389 -2.425 1.00 1.00 H new ATOM 606 N TRP A 42 44.428 5.784 -2.337 1.00 1.00 N ATOM 607 CA TRP A 42 43.826 7.015 -2.865 1.00 1.00 C ATOM 608 C TRP A 42 44.695 8.230 -2.550 1.00 1.00 C ATOM 609 O TRP A 42 44.605 9.263 -3.217 1.00 1.00 O ATOM 610 CB TRP A 42 42.416 7.225 -2.285 1.00 1.00 C ATOM 611 CG TRP A 42 41.442 6.293 -2.940 1.00 1.00 C ATOM 612 CD1 TRP A 42 41.174 5.034 -2.526 1.00 1.00 C ATOM 613 CD2 TRP A 42 40.594 6.529 -4.106 1.00 1.00 C ATOM 614 NE1 TRP A 42 40.220 4.479 -3.363 1.00 1.00 N ATOM 615 CE2 TRP A 42 39.832 5.360 -4.352 1.00 1.00 C ATOM 616 CE3 TRP A 42 40.415 7.627 -4.967 1.00 1.00 C ATOM 617 CZ2 TRP A 42 38.927 5.286 -5.411 1.00 1.00 C ATOM 618 CZ3 TRP A 42 39.504 7.555 -6.035 1.00 1.00 C ATOM 619 CH2 TRP A 42 38.762 6.386 -6.256 1.00 1.00 C ATOM 0 H TRP A 42 43.766 5.145 -1.896 1.00 1.00 H new ATOM 0 HA TRP A 42 43.754 6.907 -3.947 1.00 1.00 H new ATOM 0 HB2 TRP A 42 42.428 7.052 -1.209 1.00 1.00 H new ATOM 0 HB3 TRP A 42 42.102 8.257 -2.438 1.00 1.00 H new ATOM 0 HD1 TRP A 42 41.630 4.541 -1.680 1.00 1.00 H new ATOM 0 HE1 TRP A 42 39.849 3.534 -3.261 1.00 1.00 H new ATOM 0 HE3 TRP A 42 40.982 8.532 -4.806 1.00 1.00 H new ATOM 0 HZ2 TRP A 42 38.357 4.384 -5.577 1.00 1.00 H new ATOM 0 HZ3 TRP A 42 39.375 8.405 -6.689 1.00 1.00 H new ATOM 0 HH2 TRP A 42 38.064 6.336 -7.078 1.00 1.00 H new ATOM 630 N VAL A 43 45.549 8.080 -1.550 1.00 1.00 N ATOM 631 CA VAL A 43 46.457 9.151 -1.158 1.00 1.00 C ATOM 632 C VAL A 43 47.385 9.516 -2.318 1.00 1.00 C ATOM 633 O VAL A 43 47.576 10.688 -2.638 1.00 1.00 O ATOM 634 CB VAL A 43 47.270 8.713 0.066 1.00 1.00 C ATOM 635 CG1 VAL A 43 46.339 8.031 1.077 1.00 1.00 C ATOM 636 CG2 VAL A 43 48.370 7.734 -0.352 1.00 1.00 C ATOM 0 H VAL A 43 45.634 7.229 -0.994 1.00 1.00 H new ATOM 0 HA VAL A 43 45.875 10.036 -0.899 1.00 1.00 H new ATOM 0 HB VAL A 43 47.730 9.591 0.519 1.00 1.00 H new ATOM 0 HG11 VAL A 43 46.915 7.719 1.948 1.00 1.00 H new ATOM 0 HG12 VAL A 43 45.563 8.731 1.387 1.00 1.00 H new ATOM 0 HG13 VAL A 43 45.877 7.158 0.615 1.00 1.00 H new ATOM 0 HG21 VAL A 43 48.940 7.431 0.526 1.00 1.00 H new ATOM 0 HG22 VAL A 43 47.919 6.855 -0.813 1.00 1.00 H new ATOM 0 HG23 VAL A 43 49.035 8.218 -1.067 1.00 1.00 H new ATOM 646 N THR A 44 47.971 8.485 -2.927 1.00 1.00 N ATOM 647 CA THR A 44 48.898 8.689 -4.036 1.00 1.00 C ATOM 648 C THR A 44 48.181 9.396 -5.174 1.00 1.00 C ATOM 649 O THR A 44 48.744 10.280 -5.821 1.00 1.00 O ATOM 650 CB THR A 44 49.455 7.351 -4.532 1.00 1.00 C ATOM 651 OG1 THR A 44 48.385 6.459 -4.806 1.00 1.00 O ATOM 652 CG2 THR A 44 50.372 6.743 -3.467 1.00 1.00 C ATOM 0 H THR A 44 47.821 7.509 -2.673 1.00 1.00 H new ATOM 0 HA THR A 44 49.729 9.302 -3.686 1.00 1.00 H new ATOM 0 HB THR A 44 50.027 7.519 -5.444 1.00 1.00 H new ATOM 0 HG1 THR A 44 47.947 6.206 -3.967 1.00 1.00 H new ATOM 0 HG21 THR A 44 50.765 5.792 -3.825 1.00 1.00 H new ATOM 0 HG22 THR A 44 51.199 7.425 -3.266 1.00 1.00 H new ATOM 0 HG23 THR A 44 49.806 6.579 -2.550 1.00 1.00 H new ATOM 660 N ASP A 45 46.936 9.013 -5.408 1.00 1.00 N ATOM 661 CA ASP A 45 46.152 9.628 -6.464 1.00 1.00 C ATOM 662 C ASP A 45 45.700 11.024 -6.038 1.00 1.00 C ATOM 663 O ASP A 45 44.803 11.606 -6.647 1.00 1.00 O ATOM 664 CB ASP A 45 44.931 8.761 -6.772 1.00 1.00 C ATOM 665 CG ASP A 45 44.257 9.239 -8.053 1.00 1.00 C ATOM 666 OD1 ASP A 45 44.675 10.259 -8.576 1.00 1.00 O ATOM 667 OD2 ASP A 45 43.338 8.573 -8.499 1.00 1.00 O ATOM 0 H ASP A 45 46.450 8.284 -4.885 1.00 1.00 H new ATOM 0 HA ASP A 45 46.769 9.714 -7.359 1.00 1.00 H new ATOM 0 HB2 ASP A 45 45.233 7.719 -6.878 1.00 1.00 H new ATOM 0 HB3 ASP A 45 44.225 8.806 -5.942 1.00 1.00 H new ATOM 672 N GLY A 46 46.338 11.566 -4.999 1.00 1.00 N ATOM 673 CA GLY A 46 45.982 12.906 -4.537 1.00 1.00 C ATOM 674 C GLY A 46 44.552 12.936 -4.001 1.00 1.00 C ATOM 675 O GLY A 46 43.745 13.762 -4.427 1.00 1.00 O ATOM 0 H GLY A 46 47.085 11.111 -4.474 1.00 1.00 H new ATOM 0 HA2 GLY A 46 46.674 13.222 -3.756 1.00 1.00 H new ATOM 0 HA3 GLY A 46 46.082 13.616 -5.358 1.00 1.00 H new ATOM 679 N PHE A 47 44.244 12.055 -3.051 1.00 1.00 N ATOM 680 CA PHE A 47 42.909 12.020 -2.455 1.00 1.00 C ATOM 681 C PHE A 47 42.442 13.425 -2.073 1.00 1.00 C ATOM 682 O PHE A 47 41.243 13.686 -1.976 1.00 1.00 O ATOM 683 CB PHE A 47 42.914 11.103 -1.214 1.00 1.00 C ATOM 684 CG PHE A 47 43.398 11.865 0.006 1.00 1.00 C ATOM 685 CD1 PHE A 47 44.683 12.423 0.012 1.00 1.00 C ATOM 686 CD2 PHE A 47 42.558 12.031 1.115 1.00 1.00 C ATOM 687 CE1 PHE A 47 45.131 13.136 1.129 1.00 1.00 C ATOM 688 CE2 PHE A 47 43.007 12.747 2.232 1.00 1.00 C ATOM 689 CZ PHE A 47 44.292 13.302 2.237 1.00 1.00 C ATOM 0 H PHE A 47 44.894 11.362 -2.680 1.00 1.00 H new ATOM 0 HA PHE A 47 42.212 11.622 -3.193 1.00 1.00 H new ATOM 0 HB2 PHE A 47 41.910 10.717 -1.035 1.00 1.00 H new ATOM 0 HB3 PHE A 47 43.559 10.243 -1.393 1.00 1.00 H new ATOM 0 HD1 PHE A 47 45.328 12.303 -0.846 1.00 1.00 H new ATOM 0 HD2 PHE A 47 41.565 11.607 1.109 1.00 1.00 H new ATOM 0 HE1 PHE A 47 46.125 13.559 1.136 1.00 1.00 H new ATOM 0 HE2 PHE A 47 42.362 12.871 3.089 1.00 1.00 H new ATOM 0 HZ PHE A 47 44.636 13.859 3.096 1.00 1.00 H new ATOM 699 N SER A 48 43.401 14.317 -1.835 1.00 1.00 N ATOM 700 CA SER A 48 43.079 15.683 -1.432 1.00 1.00 C ATOM 701 C SER A 48 41.978 16.250 -2.310 1.00 1.00 C ATOM 702 O SER A 48 41.212 17.112 -1.878 1.00 1.00 O ATOM 703 CB SER A 48 44.316 16.573 -1.532 1.00 1.00 C ATOM 704 OG SER A 48 45.258 16.176 -0.547 1.00 1.00 O ATOM 0 H SER A 48 44.399 14.121 -1.913 1.00 1.00 H new ATOM 0 HA SER A 48 42.736 15.660 -0.398 1.00 1.00 H new ATOM 0 HB2 SER A 48 44.756 16.494 -2.526 1.00 1.00 H new ATOM 0 HB3 SER A 48 44.040 17.618 -1.388 1.00 1.00 H new ATOM 0 HG SER A 48 44.997 15.307 -0.177 1.00 1.00 H new ATOM 710 N SER A 49 41.907 15.779 -3.546 1.00 1.00 N ATOM 711 CA SER A 49 40.900 16.270 -4.465 1.00 1.00 C ATOM 712 C SER A 49 39.523 16.216 -3.820 1.00 1.00 C ATOM 713 O SER A 49 38.576 16.829 -4.315 1.00 1.00 O ATOM 714 CB SER A 49 40.903 15.414 -5.732 1.00 1.00 C ATOM 715 OG SER A 49 40.022 15.991 -6.687 1.00 1.00 O ATOM 0 H SER A 49 42.528 15.066 -3.929 1.00 1.00 H new ATOM 0 HA SER A 49 41.130 17.305 -4.719 1.00 1.00 H new ATOM 0 HB2 SER A 49 41.911 15.351 -6.141 1.00 1.00 H new ATOM 0 HB3 SER A 49 40.590 14.396 -5.499 1.00 1.00 H new ATOM 0 HG SER A 49 39.328 16.505 -6.223 1.00 1.00 H new ATOM 721 N LEU A 50 39.413 15.518 -2.689 1.00 1.00 N ATOM 722 CA LEU A 50 38.140 15.454 -1.983 1.00 1.00 C ATOM 723 C LEU A 50 37.946 16.733 -1.181 1.00 1.00 C ATOM 724 O LEU A 50 36.822 17.195 -0.994 1.00 1.00 O ATOM 725 CB LEU A 50 38.080 14.244 -1.036 1.00 1.00 C ATOM 726 CG LEU A 50 36.715 14.204 -0.316 1.00 1.00 C ATOM 727 CD1 LEU A 50 35.566 14.117 -1.336 1.00 1.00 C ATOM 728 CD2 LEU A 50 36.671 12.989 0.621 1.00 1.00 C ATOM 0 H LEU A 50 40.175 15.000 -2.252 1.00 1.00 H new ATOM 0 HA LEU A 50 37.346 15.345 -2.722 1.00 1.00 H new ATOM 0 HB2 LEU A 50 38.230 13.323 -1.599 1.00 1.00 H new ATOM 0 HB3 LEU A 50 38.885 14.305 -0.304 1.00 1.00 H new ATOM 0 HG LEU A 50 36.594 15.120 0.262 1.00 1.00 H new ATOM 0 HD11 LEU A 50 34.613 14.090 -0.809 1.00 1.00 H new ATOM 0 HD12 LEU A 50 35.594 14.988 -1.991 1.00 1.00 H new ATOM 0 HD13 LEU A 50 35.677 13.211 -1.932 1.00 1.00 H new ATOM 0 HD21 LEU A 50 35.708 12.958 1.131 1.00 1.00 H new ATOM 0 HD22 LEU A 50 36.804 12.076 0.040 1.00 1.00 H new ATOM 0 HD23 LEU A 50 37.470 13.069 1.358 1.00 1.00 H new ATOM 740 N LYS A 51 39.057 17.295 -0.707 1.00 1.00 N ATOM 741 CA LYS A 51 39.008 18.520 0.083 1.00 1.00 C ATOM 742 C LYS A 51 38.365 19.638 -0.725 1.00 1.00 C ATOM 743 O LYS A 51 37.500 20.360 -0.235 1.00 1.00 O ATOM 744 CB LYS A 51 40.428 18.936 0.493 1.00 1.00 C ATOM 745 CG LYS A 51 40.998 17.924 1.496 1.00 1.00 C ATOM 746 CD LYS A 51 42.416 18.347 1.905 1.00 1.00 C ATOM 747 CE LYS A 51 42.983 17.339 2.909 1.00 1.00 C ATOM 748 NZ LYS A 51 44.365 17.745 3.298 1.00 1.00 N ATOM 0 H LYS A 51 39.995 16.923 -0.856 1.00 1.00 H new ATOM 0 HA LYS A 51 38.413 18.336 0.978 1.00 1.00 H new ATOM 0 HB2 LYS A 51 41.069 18.990 -0.387 1.00 1.00 H new ATOM 0 HB3 LYS A 51 40.411 19.931 0.937 1.00 1.00 H new ATOM 0 HG2 LYS A 51 40.357 17.868 2.375 1.00 1.00 H new ATOM 0 HG3 LYS A 51 41.018 16.929 1.052 1.00 1.00 H new ATOM 0 HD2 LYS A 51 43.058 18.401 1.026 1.00 1.00 H new ATOM 0 HD3 LYS A 51 42.396 19.343 2.346 1.00 1.00 H new ATOM 0 HE2 LYS A 51 42.345 17.291 3.791 1.00 1.00 H new ATOM 0 HE3 LYS A 51 42.996 16.341 2.470 1.00 1.00 H new ATOM 0 HZ1 LYS A 51 44.749 17.060 3.980 1.00 1.00 H new ATOM 0 HZ2 LYS A 51 44.971 17.769 2.453 1.00 1.00 H new ATOM 0 HZ3 LYS A 51 44.340 18.689 3.733 1.00 1.00 H new ATOM 762 N ASP A 52 38.780 19.762 -1.981 1.00 1.00 N ATOM 763 CA ASP A 52 38.216 20.786 -2.852 1.00 1.00 C ATOM 764 C ASP A 52 36.714 20.583 -2.986 1.00 1.00 C ATOM 765 O ASP A 52 35.925 21.460 -2.633 1.00 1.00 O ATOM 766 CB ASP A 52 38.875 20.729 -4.232 1.00 1.00 C ATOM 767 CG ASP A 52 38.196 21.717 -5.175 1.00 1.00 C ATOM 768 OD1 ASP A 52 38.285 22.908 -4.920 1.00 1.00 O ATOM 769 OD2 ASP A 52 37.591 21.269 -6.136 1.00 1.00 O ATOM 0 H ASP A 52 39.494 19.176 -2.414 1.00 1.00 H new ATOM 0 HA ASP A 52 38.406 21.765 -2.412 1.00 1.00 H new ATOM 0 HB2 ASP A 52 39.936 20.964 -4.148 1.00 1.00 H new ATOM 0 HB3 ASP A 52 38.804 19.719 -4.637 1.00 1.00 H new ATOM 774 N TYR A 53 36.325 19.432 -3.522 1.00 1.00 N ATOM 775 CA TYR A 53 34.912 19.143 -3.724 1.00 1.00 C ATOM 776 C TYR A 53 34.172 19.204 -2.393 1.00 1.00 C ATOM 777 O TYR A 53 33.084 19.771 -2.309 1.00 1.00 O ATOM 778 CB TYR A 53 34.751 17.751 -4.345 1.00 1.00 C ATOM 779 CG TYR A 53 33.298 17.503 -4.688 1.00 1.00 C ATOM 780 CD1 TYR A 53 32.726 18.152 -5.790 1.00 1.00 C ATOM 781 CD2 TYR A 53 32.526 16.624 -3.916 1.00 1.00 C ATOM 782 CE1 TYR A 53 31.384 17.925 -6.119 1.00 1.00 C ATOM 783 CE2 TYR A 53 31.183 16.397 -4.247 1.00 1.00 C ATOM 784 CZ TYR A 53 30.613 17.047 -5.350 1.00 1.00 C ATOM 785 OH TYR A 53 29.291 16.823 -5.675 1.00 1.00 O ATOM 0 H TYR A 53 36.960 18.692 -3.821 1.00 1.00 H new ATOM 0 HA TYR A 53 34.490 19.888 -4.399 1.00 1.00 H new ATOM 0 HB2 TYR A 53 35.364 17.671 -5.243 1.00 1.00 H new ATOM 0 HB3 TYR A 53 35.104 16.990 -3.649 1.00 1.00 H new ATOM 0 HD1 TYR A 53 33.321 18.828 -6.386 1.00 1.00 H new ATOM 0 HD2 TYR A 53 32.966 16.122 -3.067 1.00 1.00 H new ATOM 0 HE1 TYR A 53 30.944 18.428 -6.967 1.00 1.00 H new ATOM 0 HE2 TYR A 53 30.587 15.721 -3.652 1.00 1.00 H new ATOM 0 HH TYR A 53 28.901 16.186 -5.040 1.00 1.00 H new ATOM 795 N TRP A 54 34.770 18.635 -1.356 1.00 1.00 N ATOM 796 CA TRP A 54 34.149 18.656 -0.039 1.00 1.00 C ATOM 797 C TRP A 54 34.088 20.084 0.497 1.00 1.00 C ATOM 798 O TRP A 54 33.023 20.569 0.881 1.00 1.00 O ATOM 799 CB TRP A 54 34.953 17.783 0.925 1.00 1.00 C ATOM 800 CG TRP A 54 34.366 17.875 2.293 1.00 1.00 C ATOM 801 CD1 TRP A 54 33.336 17.127 2.748 1.00 1.00 C ATOM 802 CD2 TRP A 54 34.759 18.746 3.391 1.00 1.00 C ATOM 803 NE1 TRP A 54 33.069 17.487 4.057 1.00 1.00 N ATOM 804 CE2 TRP A 54 33.921 18.481 4.497 1.00 1.00 C ATOM 805 CE3 TRP A 54 35.752 19.733 3.531 1.00 1.00 C ATOM 806 CZ2 TRP A 54 34.062 19.168 5.703 1.00 1.00 C ATOM 807 CZ3 TRP A 54 35.898 20.427 4.743 1.00 1.00 C ATOM 808 CH2 TRP A 54 35.055 20.145 5.827 1.00 1.00 C ATOM 0 H TRP A 54 35.671 18.160 -1.398 1.00 1.00 H new ATOM 0 HA TRP A 54 33.135 18.267 -0.125 1.00 1.00 H new ATOM 0 HB2 TRP A 54 34.947 16.747 0.585 1.00 1.00 H new ATOM 0 HB3 TRP A 54 35.994 18.107 0.943 1.00 1.00 H new ATOM 0 HD1 TRP A 54 32.809 16.373 2.183 1.00 1.00 H new ATOM 0 HE1 TRP A 54 32.333 17.070 4.627 1.00 1.00 H new ATOM 0 HE3 TRP A 54 36.406 19.958 2.701 1.00 1.00 H new ATOM 0 HZ2 TRP A 54 33.409 18.947 6.535 1.00 1.00 H new ATOM 0 HZ3 TRP A 54 36.664 21.182 4.841 1.00 1.00 H new ATOM 0 HH2 TRP A 54 35.172 20.682 6.757 1.00 1.00 H new ATOM 819 N SER A 55 35.240 20.747 0.529 1.00 1.00 N ATOM 820 CA SER A 55 35.306 22.112 1.035 1.00 1.00 C ATOM 821 C SER A 55 34.208 22.963 0.413 1.00 1.00 C ATOM 822 O SER A 55 33.647 23.844 1.063 1.00 1.00 O ATOM 823 CB SER A 55 36.673 22.731 0.730 1.00 1.00 C ATOM 824 OG SER A 55 36.904 22.703 -0.671 1.00 1.00 O ATOM 0 H SER A 55 36.132 20.365 0.214 1.00 1.00 H new ATOM 0 HA SER A 55 35.163 22.082 2.115 1.00 1.00 H new ATOM 0 HB2 SER A 55 36.709 23.758 1.095 1.00 1.00 H new ATOM 0 HB3 SER A 55 37.457 22.181 1.250 1.00 1.00 H new ATOM 0 HG SER A 55 36.623 21.836 -1.032 1.00 1.00 H new ATOM 830 N THR A 56 33.894 22.680 -0.846 1.00 1.00 N ATOM 831 CA THR A 56 32.839 23.418 -1.533 1.00 1.00 C ATOM 832 C THR A 56 31.462 22.916 -1.103 1.00 1.00 C ATOM 833 O THR A 56 30.760 23.582 -0.342 1.00 1.00 O ATOM 834 CB THR A 56 32.994 23.264 -3.042 1.00 1.00 C ATOM 835 OG1 THR A 56 33.148 21.889 -3.365 1.00 1.00 O ATOM 836 CG2 THR A 56 34.224 24.043 -3.503 1.00 1.00 C ATOM 0 H THR A 56 34.346 21.957 -1.405 1.00 1.00 H new ATOM 0 HA THR A 56 32.926 24.471 -1.266 1.00 1.00 H new ATOM 0 HB THR A 56 32.108 23.653 -3.544 1.00 1.00 H new ATOM 0 HG1 THR A 56 33.268 21.371 -2.542 1.00 1.00 H new ATOM 0 HG21 THR A 56 34.339 23.936 -4.582 1.00 1.00 H new ATOM 0 HG22 THR A 56 34.102 25.097 -3.254 1.00 1.00 H new ATOM 0 HG23 THR A 56 35.110 23.653 -3.003 1.00 1.00 H new ATOM 844 N VAL A 57 31.078 21.742 -1.613 1.00 1.00 N ATOM 845 CA VAL A 57 29.772 21.158 -1.293 1.00 1.00 C ATOM 846 C VAL A 57 29.414 21.400 0.169 1.00 1.00 C ATOM 847 O VAL A 57 28.468 22.127 0.471 1.00 1.00 O ATOM 848 CB VAL A 57 29.779 19.650 -1.574 1.00 1.00 C ATOM 849 CG1 VAL A 57 28.478 19.014 -1.066 1.00 1.00 C ATOM 850 CG2 VAL A 57 29.896 19.414 -3.079 1.00 1.00 C ATOM 0 H VAL A 57 31.649 21.180 -2.245 1.00 1.00 H new ATOM 0 HA VAL A 57 29.025 21.640 -1.924 1.00 1.00 H new ATOM 0 HB VAL A 57 30.627 19.197 -1.060 1.00 1.00 H new ATOM 0 HG11 VAL A 57 28.492 17.943 -1.270 1.00 1.00 H new ATOM 0 HG12 VAL A 57 28.388 19.177 0.008 1.00 1.00 H new ATOM 0 HG13 VAL A 57 27.628 19.469 -1.575 1.00 1.00 H new ATOM 0 HG21 VAL A 57 29.901 18.343 -3.280 1.00 1.00 H new ATOM 0 HG22 VAL A 57 29.048 19.874 -3.586 1.00 1.00 H new ATOM 0 HG23 VAL A 57 30.822 19.856 -3.446 1.00 1.00 H new ATOM 860 N LYS A 58 30.173 20.783 1.072 1.00 1.00 N ATOM 861 CA LYS A 58 29.926 20.936 2.498 1.00 1.00 C ATOM 862 C LYS A 58 29.565 22.376 2.834 1.00 1.00 C ATOM 863 O LYS A 58 28.460 22.657 3.290 1.00 1.00 O ATOM 864 CB LYS A 58 31.180 20.511 3.277 1.00 1.00 C ATOM 865 CG LYS A 58 30.914 20.541 4.803 1.00 1.00 C ATOM 866 CD LYS A 58 31.468 21.833 5.423 1.00 1.00 C ATOM 867 CE LYS A 58 31.177 21.841 6.922 1.00 1.00 C ATOM 868 NZ LYS A 58 31.794 23.048 7.537 1.00 1.00 N ATOM 0 H LYS A 58 30.959 20.176 0.840 1.00 1.00 H new ATOM 0 HA LYS A 58 29.085 20.303 2.781 1.00 1.00 H new ATOM 0 HB2 LYS A 58 31.479 19.507 2.975 1.00 1.00 H new ATOM 0 HB3 LYS A 58 32.008 21.177 3.034 1.00 1.00 H new ATOM 0 HG2 LYS A 58 29.843 20.471 4.992 1.00 1.00 H new ATOM 0 HG3 LYS A 58 31.379 19.676 5.276 1.00 1.00 H new ATOM 0 HD2 LYS A 58 32.542 21.901 5.249 1.00 1.00 H new ATOM 0 HD3 LYS A 58 31.012 22.702 4.948 1.00 1.00 H new ATOM 0 HE2 LYS A 58 30.101 21.840 7.095 1.00 1.00 H new ATOM 0 HE3 LYS A 58 31.575 20.939 7.386 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 31.597 23.056 8.558 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 32.822 23.029 7.382 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 31.394 23.903 7.101 1.00 1.00 H new ATOM 882 N ASP A 59 30.505 23.282 2.616 1.00 1.00 N ATOM 883 CA ASP A 59 30.263 24.684 2.916 1.00 1.00 C ATOM 884 C ASP A 59 29.073 25.194 2.112 1.00 1.00 C ATOM 885 O ASP A 59 28.214 25.900 2.643 1.00 1.00 O ATOM 886 CB ASP A 59 31.503 25.516 2.580 1.00 1.00 C ATOM 887 CG ASP A 59 32.615 25.232 3.586 1.00 1.00 C ATOM 888 OD1 ASP A 59 32.327 24.617 4.599 1.00 1.00 O ATOM 889 OD2 ASP A 59 33.738 25.632 3.325 1.00 1.00 O ATOM 0 H ASP A 59 31.430 23.076 2.238 1.00 1.00 H new ATOM 0 HA ASP A 59 30.045 24.780 3.980 1.00 1.00 H new ATOM 0 HB2 ASP A 59 31.845 25.281 1.572 1.00 1.00 H new ATOM 0 HB3 ASP A 59 31.253 26.577 2.593 1.00 1.00 H new ATOM 894 N LYS A 60 29.031 24.844 0.834 1.00 1.00 N ATOM 895 CA LYS A 60 27.947 25.280 -0.035 1.00 1.00 C ATOM 896 C LYS A 60 26.630 24.656 0.389 1.00 1.00 C ATOM 897 O LYS A 60 25.565 25.047 -0.082 1.00 1.00 O ATOM 898 CB LYS A 60 28.285 24.877 -1.477 1.00 1.00 C ATOM 899 CG LYS A 60 27.286 25.484 -2.463 1.00 1.00 C ATOM 900 CD LYS A 60 27.685 25.106 -3.892 1.00 1.00 C ATOM 901 CE LYS A 60 26.661 25.684 -4.866 1.00 1.00 C ATOM 902 NZ LYS A 60 26.853 27.157 -4.961 1.00 1.00 N ATOM 0 H LYS A 60 29.733 24.261 0.377 1.00 1.00 H new ATOM 0 HA LYS A 60 27.839 26.362 0.035 1.00 1.00 H new ATOM 0 HB2 LYS A 60 29.293 25.209 -1.724 1.00 1.00 H new ATOM 0 HB3 LYS A 60 28.276 23.791 -1.567 1.00 1.00 H new ATOM 0 HG2 LYS A 60 26.281 25.123 -2.247 1.00 1.00 H new ATOM 0 HG3 LYS A 60 27.265 26.568 -2.355 1.00 1.00 H new ATOM 0 HD2 LYS A 60 28.679 25.491 -4.119 1.00 1.00 H new ATOM 0 HD3 LYS A 60 27.732 24.022 -3.995 1.00 1.00 H new ATOM 0 HE2 LYS A 60 26.777 25.226 -5.848 1.00 1.00 H new ATOM 0 HE3 LYS A 60 25.650 25.458 -4.526 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 26.332 27.523 -5.783 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 26.496 27.610 -4.096 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 27.865 27.369 -5.070 1.00 1.00 H new ATOM 916 N PHE A 61 26.698 23.700 1.294 1.00 1.00 N ATOM 917 CA PHE A 61 25.487 23.061 1.766 1.00 1.00 C ATOM 918 C PHE A 61 24.623 24.090 2.481 1.00 1.00 C ATOM 919 O PHE A 61 23.406 23.925 2.594 1.00 1.00 O ATOM 920 CB PHE A 61 25.837 21.924 2.726 1.00 1.00 C ATOM 921 CG PHE A 61 24.614 21.074 2.975 1.00 1.00 C ATOM 922 CD1 PHE A 61 24.178 20.176 1.994 1.00 1.00 C ATOM 923 CD2 PHE A 61 23.919 21.178 4.187 1.00 1.00 C ATOM 924 CE1 PHE A 61 23.048 19.383 2.223 1.00 1.00 C ATOM 925 CE2 PHE A 61 22.790 20.384 4.417 1.00 1.00 C ATOM 926 CZ PHE A 61 22.354 19.486 3.435 1.00 1.00 C ATOM 0 H PHE A 61 27.562 23.354 1.711 1.00 1.00 H new ATOM 0 HA PHE A 61 24.940 22.650 0.917 1.00 1.00 H new ATOM 0 HB2 PHE A 61 26.637 21.314 2.306 1.00 1.00 H new ATOM 0 HB3 PHE A 61 26.207 22.331 3.667 1.00 1.00 H new ATOM 0 HD1 PHE A 61 24.714 20.095 1.060 1.00 1.00 H new ATOM 0 HD2 PHE A 61 24.255 21.871 4.944 1.00 1.00 H new ATOM 0 HE1 PHE A 61 22.711 18.691 1.465 1.00 1.00 H new ATOM 0 HE2 PHE A 61 22.255 20.464 5.352 1.00 1.00 H new ATOM 0 HZ PHE A 61 21.483 18.873 3.612 1.00 1.00 H new ATOM 936 N SER A 62 25.257 25.165 2.947 1.00 1.00 N ATOM 937 CA SER A 62 24.518 26.224 3.633 1.00 1.00 C ATOM 938 C SER A 62 23.638 27.003 2.658 1.00 1.00 C ATOM 939 O SER A 62 22.454 27.228 2.911 1.00 1.00 O ATOM 940 CB SER A 62 25.480 27.175 4.342 1.00 1.00 C ATOM 941 OG SER A 62 26.109 26.490 5.415 1.00 1.00 O ATOM 0 H SER A 62 26.261 25.325 2.865 1.00 1.00 H new ATOM 0 HA SER A 62 23.873 25.753 4.375 1.00 1.00 H new ATOM 0 HB2 SER A 62 26.229 27.543 3.641 1.00 1.00 H new ATOM 0 HB3 SER A 62 24.940 28.045 4.717 1.00 1.00 H new ATOM 0 HG SER A 62 26.729 27.096 5.872 1.00 1.00 H new ATOM 947 N GLU A 63 24.244 27.429 1.550 1.00 1.00 N ATOM 948 CA GLU A 63 23.529 28.205 0.538 1.00 1.00 C ATOM 949 C GLU A 63 22.641 27.314 -0.317 1.00 1.00 C ATOM 950 O GLU A 63 21.593 27.747 -0.800 1.00 1.00 O ATOM 951 CB GLU A 63 24.526 28.944 -0.355 1.00 1.00 C ATOM 952 CG GLU A 63 25.319 29.948 0.485 1.00 1.00 C ATOM 953 CD GLU A 63 24.398 31.044 1.014 1.00 1.00 C ATOM 954 OE1 GLU A 63 23.338 31.230 0.437 1.00 1.00 O ATOM 955 OE2 GLU A 63 24.768 31.684 1.984 1.00 1.00 O ATOM 0 H GLU A 63 25.224 27.251 1.331 1.00 1.00 H new ATOM 0 HA GLU A 63 22.895 28.925 1.055 1.00 1.00 H new ATOM 0 HB2 GLU A 63 25.204 28.233 -0.827 1.00 1.00 H new ATOM 0 HB3 GLU A 63 23.998 29.461 -1.156 1.00 1.00 H new ATOM 0 HG2 GLU A 63 25.800 29.435 1.318 1.00 1.00 H new ATOM 0 HG3 GLU A 63 26.112 30.390 -0.118 1.00 1.00 H new ATOM 962 N PHE A 64 23.074 26.079 -0.532 1.00 1.00 N ATOM 963 CA PHE A 64 22.319 25.158 -1.362 1.00 1.00 C ATOM 964 C PHE A 64 20.889 25.030 -0.854 1.00 1.00 C ATOM 965 O PHE A 64 20.035 24.446 -1.522 1.00 1.00 O ATOM 966 CB PHE A 64 22.994 23.784 -1.338 1.00 1.00 C ATOM 967 CG PHE A 64 22.245 22.828 -2.236 1.00 1.00 C ATOM 968 CD1 PHE A 64 22.507 22.809 -3.611 1.00 1.00 C ATOM 969 CD2 PHE A 64 21.289 21.961 -1.693 1.00 1.00 C ATOM 970 CE1 PHE A 64 21.813 21.923 -4.443 1.00 1.00 C ATOM 971 CE2 PHE A 64 20.596 21.074 -2.526 1.00 1.00 C ATOM 972 CZ PHE A 64 20.857 21.056 -3.901 1.00 1.00 C ATOM 0 H PHE A 64 23.937 25.697 -0.146 1.00 1.00 H new ATOM 0 HA PHE A 64 22.295 25.542 -2.382 1.00 1.00 H new ATOM 0 HB2 PHE A 64 24.029 23.872 -1.668 1.00 1.00 H new ATOM 0 HB3 PHE A 64 23.016 23.398 -0.319 1.00 1.00 H new ATOM 0 HD1 PHE A 64 23.244 23.478 -4.030 1.00 1.00 H new ATOM 0 HD2 PHE A 64 21.086 21.976 -0.632 1.00 1.00 H new ATOM 0 HE1 PHE A 64 22.015 21.908 -5.504 1.00 1.00 H new ATOM 0 HE2 PHE A 64 19.860 20.404 -2.107 1.00 1.00 H new ATOM 0 HZ PHE A 64 20.321 20.373 -4.544 1.00 1.00 H new ATOM 982 N TRP A 65 20.624 25.590 0.322 1.00 1.00 N ATOM 983 CA TRP A 65 19.280 25.532 0.883 1.00 1.00 C ATOM 984 C TRP A 65 18.379 26.581 0.217 1.00 1.00 C ATOM 985 O TRP A 65 17.297 26.257 -0.278 1.00 1.00 O ATOM 986 CB TRP A 65 19.352 25.785 2.391 1.00 1.00 C ATOM 987 CG TRP A 65 18.006 25.579 2.996 1.00 1.00 C ATOM 988 CD1 TRP A 65 17.344 24.399 3.032 1.00 1.00 C ATOM 989 CD2 TRP A 65 17.148 26.550 3.659 1.00 1.00 C ATOM 990 NE1 TRP A 65 16.131 24.588 3.666 1.00 1.00 N ATOM 991 CE2 TRP A 65 15.963 25.899 4.069 1.00 1.00 C ATOM 992 CE3 TRP A 65 17.278 27.924 3.932 1.00 1.00 C ATOM 993 CZ2 TRP A 65 14.947 26.580 4.737 1.00 1.00 C ATOM 994 CZ3 TRP A 65 16.257 28.615 4.604 1.00 1.00 C ATOM 995 CH2 TRP A 65 15.091 27.944 5.002 1.00 1.00 C ATOM 0 H TRP A 65 21.309 26.081 0.896 1.00 1.00 H new ATOM 0 HA TRP A 65 18.856 24.545 0.698 1.00 1.00 H new ATOM 0 HB2 TRP A 65 20.075 25.110 2.849 1.00 1.00 H new ATOM 0 HB3 TRP A 65 19.697 26.801 2.584 1.00 1.00 H new ATOM 0 HD1 TRP A 65 17.705 23.463 2.631 1.00 1.00 H new ATOM 0 HE1 TRP A 65 15.444 23.850 3.818 1.00 1.00 H new ATOM 0 HE3 TRP A 65 18.169 28.451 3.623 1.00 1.00 H new ATOM 0 HZ2 TRP A 65 14.055 26.057 5.048 1.00 1.00 H new ATOM 0 HZ3 TRP A 65 16.370 29.668 4.816 1.00 1.00 H new ATOM 0 HH2 TRP A 65 14.306 28.481 5.513 1.00 1.00 H new ATOM 1006 N ASP A 66 18.847 27.829 0.193 1.00 1.00 N ATOM 1007 CA ASP A 66 18.099 28.929 -0.433 1.00 1.00 C ATOM 1008 C ASP A 66 18.418 29.011 -1.916 1.00 1.00 C ATOM 1009 O ASP A 66 19.537 29.340 -2.312 1.00 1.00 O ATOM 1010 CB ASP A 66 18.456 30.256 0.249 1.00 1.00 C ATOM 1011 CG ASP A 66 17.837 30.309 1.642 1.00 1.00 C ATOM 1012 OD1 ASP A 66 16.932 29.532 1.896 1.00 1.00 O ATOM 1013 OD2 ASP A 66 18.279 31.125 2.436 1.00 1.00 O ATOM 0 H ASP A 66 19.740 28.108 0.599 1.00 1.00 H new ATOM 0 HA ASP A 66 17.033 28.738 -0.314 1.00 1.00 H new ATOM 0 HB2 ASP A 66 19.539 30.359 0.319 1.00 1.00 H new ATOM 0 HB3 ASP A 66 18.095 31.091 -0.351 1.00 1.00 H new ATOM 1018 N LEU A 67 17.420 28.716 -2.731 1.00 1.00 N ATOM 1019 CA LEU A 67 17.561 28.755 -4.180 1.00 1.00 C ATOM 1020 C LEU A 67 17.206 30.141 -4.698 1.00 1.00 C ATOM 1021 O LEU A 67 17.011 31.073 -3.919 1.00 1.00 O ATOM 1022 CB LEU A 67 16.672 27.689 -4.835 1.00 1.00 C ATOM 1023 CG LEU A 67 17.319 26.298 -4.685 1.00 1.00 C ATOM 1024 CD1 LEU A 67 18.615 26.202 -5.518 1.00 1.00 C ATOM 1025 CD2 LEU A 67 17.628 26.042 -3.202 1.00 1.00 C ATOM 0 H LEU A 67 16.491 28.443 -2.410 1.00 1.00 H new ATOM 0 HA LEU A 67 18.597 28.539 -4.440 1.00 1.00 H new ATOM 0 HB2 LEU A 67 15.685 27.692 -4.372 1.00 1.00 H new ATOM 0 HB3 LEU A 67 16.530 27.921 -5.890 1.00 1.00 H new ATOM 0 HG LEU A 67 16.624 25.544 -5.053 1.00 1.00 H new ATOM 0 HD11 LEU A 67 19.053 25.212 -5.396 1.00 1.00 H new ATOM 0 HD12 LEU A 67 18.385 26.370 -6.570 1.00 1.00 H new ATOM 0 HD13 LEU A 67 19.324 26.957 -5.177 1.00 1.00 H new ATOM 0 HD21 LEU A 67 18.086 25.059 -3.090 1.00 1.00 H new ATOM 0 HD22 LEU A 67 18.314 26.806 -2.836 1.00 1.00 H new ATOM 0 HD23 LEU A 67 16.703 26.079 -2.626 1.00 1.00 H new ATOM 1037 N ASP A 68 17.167 30.281 -6.011 1.00 1.00 N ATOM 1038 CA ASP A 68 16.884 31.569 -6.618 1.00 1.00 C ATOM 1039 C ASP A 68 15.541 32.090 -6.105 1.00 1.00 C ATOM 1040 O ASP A 68 14.767 31.349 -5.503 1.00 1.00 O ATOM 1041 CB ASP A 68 16.850 31.369 -8.159 1.00 1.00 C ATOM 1042 CG ASP A 68 18.117 31.926 -8.813 1.00 1.00 C ATOM 1043 OD1 ASP A 68 19.193 31.665 -8.299 1.00 1.00 O ATOM 1044 OD2 ASP A 68 17.989 32.608 -9.817 1.00 1.00 O ATOM 0 H ASP A 68 17.327 29.523 -6.674 1.00 1.00 H new ATOM 0 HA ASP A 68 17.649 32.301 -6.360 1.00 1.00 H new ATOM 0 HB2 ASP A 68 16.754 30.308 -8.389 1.00 1.00 H new ATOM 0 HB3 ASP A 68 15.973 31.866 -8.574 1.00 1.00 H new ATOM 1049 N PRO A 69 15.264 33.352 -6.305 1.00 1.00 N ATOM 1050 CA PRO A 69 14.005 33.969 -5.819 1.00 1.00 C ATOM 1051 C PRO A 69 12.789 33.089 -6.115 1.00 1.00 C ATOM 1052 O PRO A 69 11.712 33.308 -5.562 1.00 1.00 O ATOM 1053 CB PRO A 69 13.926 35.320 -6.585 1.00 1.00 C ATOM 1054 CG PRO A 69 15.144 35.380 -7.480 1.00 1.00 C ATOM 1055 CD PRO A 69 16.127 34.337 -6.965 1.00 1.00 C ATOM 0 HA PRO A 69 14.002 34.099 -4.737 1.00 1.00 H new ATOM 0 HB2 PRO A 69 13.010 35.379 -7.173 1.00 1.00 H new ATOM 0 HB3 PRO A 69 13.914 36.160 -5.890 1.00 1.00 H new ATOM 0 HG2 PRO A 69 14.872 35.175 -8.516 1.00 1.00 H new ATOM 0 HG3 PRO A 69 15.590 36.374 -7.458 1.00 1.00 H new ATOM 0 HD2 PRO A 69 16.700 33.889 -7.777 1.00 1.00 H new ATOM 0 HD3 PRO A 69 16.846 34.771 -6.270 1.00 1.00 H new ATOM 1063 N GLU A 70 12.974 32.074 -6.957 1.00 1.00 N ATOM 1064 CA GLU A 70 11.887 31.145 -7.275 1.00 1.00 C ATOM 1065 C GLU A 70 12.342 29.715 -7.026 1.00 1.00 C ATOM 1066 O GLU A 70 13.133 29.160 -7.787 1.00 1.00 O ATOM 1067 CB GLU A 70 11.485 31.317 -8.741 1.00 1.00 C ATOM 1068 CG GLU A 70 10.849 32.696 -8.936 1.00 1.00 C ATOM 1069 CD GLU A 70 10.533 32.925 -10.410 1.00 1.00 C ATOM 1070 OE1 GLU A 70 10.827 32.043 -11.202 1.00 1.00 O ATOM 1071 OE2 GLU A 70 10.006 33.978 -10.729 1.00 1.00 O ATOM 0 H GLU A 70 13.856 31.873 -7.428 1.00 1.00 H new ATOM 0 HA GLU A 70 11.029 31.358 -6.638 1.00 1.00 H new ATOM 0 HB2 GLU A 70 12.359 31.213 -9.384 1.00 1.00 H new ATOM 0 HB3 GLU A 70 10.782 30.536 -9.031 1.00 1.00 H new ATOM 0 HG2 GLU A 70 9.936 32.771 -8.345 1.00 1.00 H new ATOM 0 HG3 GLU A 70 11.526 33.471 -8.577 1.00 1.00 H new ATOM 1078 N VAL A 71 11.802 29.106 -5.965 1.00 1.00 N ATOM 1079 CA VAL A 71 12.134 27.725 -5.648 1.00 1.00 C ATOM 1080 C VAL A 71 11.050 26.819 -6.213 1.00 1.00 C ATOM 1081 O VAL A 71 10.062 26.521 -5.544 1.00 1.00 O ATOM 1082 CB VAL A 71 12.202 27.547 -4.122 1.00 1.00 C ATOM 1083 CG1 VAL A 71 10.862 27.963 -3.464 1.00 1.00 C ATOM 1084 CG2 VAL A 71 12.509 26.076 -3.802 1.00 1.00 C ATOM 0 H VAL A 71 11.143 29.546 -5.323 1.00 1.00 H new ATOM 0 HA VAL A 71 13.100 27.469 -6.083 1.00 1.00 H new ATOM 0 HB VAL A 71 12.991 28.185 -3.722 1.00 1.00 H new ATOM 0 HG11 VAL A 71 10.930 27.830 -2.384 1.00 1.00 H new ATOM 0 HG12 VAL A 71 10.656 29.010 -3.688 1.00 1.00 H new ATOM 0 HG13 VAL A 71 10.056 27.343 -3.856 1.00 1.00 H new ATOM 0 HG21 VAL A 71 12.559 25.941 -2.721 1.00 1.00 H new ATOM 0 HG22 VAL A 71 11.721 25.443 -4.211 1.00 1.00 H new ATOM 0 HG23 VAL A 71 13.465 25.799 -4.247 1.00 1.00 H new ATOM 1094 N ARG A 72 11.247 26.370 -7.454 1.00 1.00 N ATOM 1095 CA ARG A 72 10.283 25.479 -8.103 1.00 1.00 C ATOM 1096 C ARG A 72 10.954 24.215 -8.639 1.00 1.00 C ATOM 1097 O ARG A 72 12.129 24.253 -9.005 1.00 1.00 O ATOM 1098 CB ARG A 72 9.568 26.202 -9.240 1.00 1.00 C ATOM 1099 CG ARG A 72 8.811 27.398 -8.668 1.00 1.00 C ATOM 1100 CD ARG A 72 8.210 28.213 -9.809 1.00 1.00 C ATOM 1101 NE ARG A 72 7.720 29.491 -9.307 1.00 1.00 N ATOM 1102 CZ ARG A 72 6.611 29.564 -8.580 1.00 1.00 C ATOM 1103 NH1 ARG A 72 5.977 28.474 -8.239 1.00 1.00 N ATOM 1104 NH2 ARG A 72 6.156 30.727 -8.204 1.00 1.00 N ATOM 0 H ARG A 72 12.058 26.606 -8.026 1.00 1.00 H new ATOM 0 HA ARG A 72 9.555 25.183 -7.347 1.00 1.00 H new ATOM 0 HB2 ARG A 72 10.289 26.535 -9.987 1.00 1.00 H new ATOM 0 HB3 ARG A 72 8.878 25.524 -9.742 1.00 1.00 H new ATOM 0 HG2 ARG A 72 8.023 27.056 -7.997 1.00 1.00 H new ATOM 0 HG3 ARG A 72 9.484 28.020 -8.078 1.00 1.00 H new ATOM 0 HD2 ARG A 72 8.961 28.380 -10.581 1.00 1.00 H new ATOM 0 HD3 ARG A 72 7.394 27.658 -10.272 1.00 1.00 H new ATOM 0 HE ARG A 72 8.238 30.344 -9.518 1.00 1.00 H new ATOM 0 HH11 ARG A 72 6.334 27.564 -8.531 1.00 1.00 H new ATOM 0 HH12 ARG A 72 5.125 28.533 -7.681 1.00 1.00 H new ATOM 0 HH21 ARG A 72 6.652 31.578 -8.468 1.00 1.00 H new ATOM 0 HH22 ARG A 72 5.304 30.785 -7.646 1.00 1.00 H new ATOM 1118 N PRO A 73 10.246 23.104 -8.739 1.00 1.00 N ATOM 1119 CA PRO A 73 10.837 21.858 -9.296 1.00 1.00 C ATOM 1120 C PRO A 73 10.993 21.950 -10.818 1.00 1.00 C ATOM 1121 O PRO A 73 11.726 21.165 -11.424 1.00 1.00 O ATOM 1122 CB PRO A 73 9.841 20.730 -8.910 1.00 1.00 C ATOM 1123 CG PRO A 73 8.715 21.383 -8.148 1.00 1.00 C ATOM 1124 CD PRO A 73 8.833 22.897 -8.355 1.00 1.00 C ATOM 0 HA PRO A 73 11.836 21.675 -8.901 1.00 1.00 H new ATOM 0 HB2 PRO A 73 9.464 20.226 -9.800 1.00 1.00 H new ATOM 0 HB3 PRO A 73 10.333 19.973 -8.299 1.00 1.00 H new ATOM 0 HG2 PRO A 73 7.751 21.022 -8.505 1.00 1.00 H new ATOM 0 HG3 PRO A 73 8.776 21.135 -7.088 1.00 1.00 H new ATOM 0 HD2 PRO A 73 8.154 23.246 -9.133 1.00 1.00 H new ATOM 0 HD3 PRO A 73 8.584 23.444 -7.445 1.00 1.00 H new ATOM 1132 N THR A 74 10.273 22.895 -11.430 1.00 1.00 N ATOM 1133 CA THR A 74 10.323 23.057 -12.888 1.00 1.00 C ATOM 1134 C THR A 74 11.515 23.891 -13.320 1.00 1.00 C ATOM 1135 O THR A 74 12.415 23.403 -14.005 1.00 1.00 O ATOM 1136 CB THR A 74 9.030 23.704 -13.390 1.00 1.00 C ATOM 1137 OG1 THR A 74 8.887 24.993 -12.811 1.00 1.00 O ATOM 1138 CG2 THR A 74 7.839 22.828 -12.999 1.00 1.00 C ATOM 0 H THR A 74 9.657 23.551 -10.949 1.00 1.00 H new ATOM 0 HA THR A 74 10.431 22.065 -13.326 1.00 1.00 H new ATOM 0 HB THR A 74 9.068 23.800 -14.475 1.00 1.00 H new ATOM 0 HG1 THR A 74 8.060 25.407 -13.134 1.00 1.00 H new ATOM 0 HG21 THR A 74 6.917 23.287 -13.356 1.00 1.00 H new ATOM 0 HG22 THR A 74 7.950 21.841 -13.448 1.00 1.00 H new ATOM 0 HG23 THR A 74 7.800 22.731 -11.914 1.00 1.00 H new ATOM 1146 N SER A 75 11.499 25.155 -12.947 1.00 1.00 N ATOM 1147 CA SER A 75 12.567 26.060 -13.329 1.00 1.00 C ATOM 1148 C SER A 75 13.900 25.547 -12.815 1.00 1.00 C ATOM 1149 O SER A 75 14.916 25.641 -13.503 1.00 1.00 O ATOM 1150 CB SER A 75 12.296 27.449 -12.754 1.00 1.00 C ATOM 1151 OG SER A 75 11.094 27.961 -13.315 1.00 1.00 O ATOM 0 H SER A 75 10.762 25.578 -12.382 1.00 1.00 H new ATOM 0 HA SER A 75 12.606 26.118 -14.417 1.00 1.00 H new ATOM 0 HB2 SER A 75 12.211 27.396 -11.669 1.00 1.00 H new ATOM 0 HB3 SER A 75 13.128 28.117 -12.976 1.00 1.00 H new ATOM 0 HG SER A 75 10.915 28.852 -12.948 1.00 1.00 H new ATOM 1157 N ALA A 76 13.901 24.997 -11.607 1.00 1.00 N ATOM 1158 CA ALA A 76 15.133 24.472 -11.036 1.00 1.00 C ATOM 1159 C ALA A 76 15.754 23.456 -11.987 1.00 1.00 C ATOM 1160 O ALA A 76 16.874 23.638 -12.461 1.00 1.00 O ATOM 1161 CB ALA A 76 14.852 23.817 -9.684 1.00 1.00 C ATOM 0 H ALA A 76 13.077 24.904 -11.013 1.00 1.00 H new ATOM 0 HA ALA A 76 15.831 25.296 -10.888 1.00 1.00 H new ATOM 0 HB1 ALA A 76 15.781 23.428 -9.268 1.00 1.00 H new ATOM 0 HB2 ALA A 76 14.430 24.556 -9.003 1.00 1.00 H new ATOM 0 HB3 ALA A 76 14.144 22.999 -9.816 1.00 1.00 H new ATOM 1167 N VAL A 77 15.025 22.373 -12.244 1.00 1.00 N ATOM 1168 CA VAL A 77 15.534 21.325 -13.123 1.00 1.00 C ATOM 1169 C VAL A 77 15.799 21.898 -14.512 1.00 1.00 C ATOM 1170 O VAL A 77 16.875 21.707 -15.074 1.00 1.00 O ATOM 1171 CB VAL A 77 14.510 20.188 -13.227 1.00 1.00 C ATOM 1172 CG1 VAL A 77 14.968 19.165 -14.272 1.00 1.00 C ATOM 1173 CG2 VAL A 77 14.368 19.498 -11.870 1.00 1.00 C ATOM 0 H VAL A 77 14.095 22.200 -11.863 1.00 1.00 H new ATOM 0 HA VAL A 77 16.464 20.936 -12.708 1.00 1.00 H new ATOM 0 HB VAL A 77 13.548 20.604 -13.528 1.00 1.00 H new ATOM 0 HG11 VAL A 77 14.235 18.361 -14.340 1.00 1.00 H new ATOM 0 HG12 VAL A 77 15.062 19.653 -15.242 1.00 1.00 H new ATOM 0 HG13 VAL A 77 15.933 18.752 -13.979 1.00 1.00 H new ATOM 0 HG21 VAL A 77 13.640 18.691 -11.947 1.00 1.00 H new ATOM 0 HG22 VAL A 77 15.332 19.090 -11.567 1.00 1.00 H new ATOM 0 HG23 VAL A 77 14.031 20.221 -11.128 1.00 1.00 H new ATOM 1183 N ALA A 78 14.819 22.611 -15.056 1.00 1.00 N ATOM 1184 CA ALA A 78 14.970 23.218 -16.372 1.00 1.00 C ATOM 1185 C ALA A 78 16.008 24.336 -16.326 1.00 1.00 C ATOM 1186 O ALA A 78 16.401 24.877 -17.358 1.00 1.00 O ATOM 1187 CB ALA A 78 13.626 23.777 -16.842 1.00 1.00 C ATOM 0 H ALA A 78 13.918 22.782 -14.610 1.00 1.00 H new ATOM 0 HA ALA A 78 15.308 22.455 -17.073 1.00 1.00 H new ATOM 0 HB1 ALA A 78 13.744 24.230 -17.826 1.00 1.00 H new ATOM 0 HB2 ALA A 78 12.896 22.969 -16.899 1.00 1.00 H new ATOM 0 HB3 ALA A 78 13.278 24.531 -16.136 1.00 1.00 H new ATOM 1193 N ALA A 79 16.438 24.676 -15.115 1.00 1.00 N ATOM 1194 CA ALA A 79 17.425 25.734 -14.932 1.00 1.00 C ATOM 1195 C ALA A 79 17.795 25.878 -13.459 1.00 1.00 C ATOM 1196 O ALA A 79 16.999 26.432 -12.718 1.00 1.00 O ATOM 1197 CB ALA A 79 16.862 27.061 -15.447 1.00 1.00 C ATOM 1198 OXT ALA A 79 18.871 25.434 -13.093 1.00 1.00 O ATOM 0 H ALA A 79 16.121 24.237 -14.251 1.00 1.00 H new ATOM 0 HA ALA A 79 18.321 25.471 -15.494 1.00 1.00 H new ATOM 0 HB1 ALA A 79 17.603 27.849 -15.308 1.00 1.00 H new ATOM 0 HB2 ALA A 79 16.625 26.969 -16.507 1.00 1.00 H new ATOM 0 HB3 ALA A 79 15.957 27.312 -14.893 1.00 1.00 H new