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= -0.181 USER MOD Set 1.2: A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 170:sc= -0.896! USER MOD Single : A 10 SER OG : rot 72:sc= -0.716 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 161:sc= -0.0309 (180deg=-0.523) USER MOD Single : A 18 HIS : no HD1:sc= -0.13 X(o=-0.13,f=-0.0057) USER MOD Single : A 20 THR OG1 : rot 101:sc= 0.913 USER MOD Single : A 21 LYS NZ :NH3+ 166:sc= -0.0107 (180deg=-0.292) 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 180:sc= 0 USER MOD Single : A 29 SER OG : rot -51:sc= 0.691 USER MOD Single : A 31 GLN : amide:sc= -0.111 K(o=-0.11,f=-1.5!) USER MOD Single : A 33 SER OG : rot 19:sc= 0.362! USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 80:sc= 0.151 USER MOD Single : A 51 LYS NZ :NH3+ 158:sc= -0.0985 (180deg=-0.663) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 1:sc= -1.24 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -161:sc= -0.0431 (180deg=-0.478) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ALA A 6 -1.223 -16.430 9.372 1.00 1.00 N ATOM 67 CA ALA A 6 -0.233 -15.452 8.983 1.00 1.00 C ATOM 68 C ALA A 6 -0.129 -15.386 7.471 1.00 1.00 C ATOM 69 O ALA A 6 -0.145 -16.402 6.776 1.00 1.00 O ATOM 70 CB ALA A 6 1.128 -15.840 9.563 1.00 1.00 C ATOM 0 HA ALA A 6 -0.533 -14.477 9.366 1.00 1.00 H new ATOM 0 HB1 ALA A 6 1.873 -15.101 9.268 1.00 1.00 H new ATOM 0 HB2 ALA A 6 1.063 -15.876 10.650 1.00 1.00 H new ATOM 0 HB3 ALA A 6 1.419 -16.820 9.184 1.00 1.00 H new ATOM 76 N SER A 7 -0.036 -14.169 6.979 1.00 1.00 N ATOM 77 CA SER A 7 0.058 -13.926 5.553 1.00 1.00 C ATOM 78 C SER A 7 1.440 -14.295 5.031 1.00 1.00 C ATOM 79 O SER A 7 2.325 -14.681 5.791 1.00 1.00 O ATOM 80 CB SER A 7 -0.217 -12.453 5.262 1.00 1.00 C ATOM 81 OG SER A 7 0.043 -12.189 3.889 1.00 1.00 O ATOM 0 H SER A 7 -0.023 -13.324 7.551 1.00 1.00 H new ATOM 0 HA SER A 7 -0.683 -14.547 5.049 1.00 1.00 H new ATOM 0 HB2 SER A 7 -1.252 -12.210 5.501 1.00 1.00 H new ATOM 0 HB3 SER A 7 0.412 -11.823 5.891 1.00 1.00 H new ATOM 0 HG SER A 7 -0.283 -11.293 3.661 1.00 1.00 H new ATOM 87 N LEU A 8 1.603 -14.160 3.726 1.00 1.00 N ATOM 88 CA LEU A 8 2.869 -14.467 3.070 1.00 1.00 C ATOM 89 C LEU A 8 4.015 -13.652 3.668 1.00 1.00 C ATOM 90 O LEU A 8 5.165 -13.790 3.249 1.00 1.00 O ATOM 91 CB LEU A 8 2.774 -14.170 1.573 1.00 1.00 C ATOM 92 CG LEU A 8 1.500 -14.791 0.989 1.00 1.00 C ATOM 93 CD1 LEU A 8 1.441 -14.492 -0.511 1.00 1.00 C ATOM 94 CD2 LEU A 8 1.512 -16.311 1.210 1.00 1.00 C ATOM 0 H LEU A 8 0.871 -13.838 3.093 1.00 1.00 H new ATOM 0 HA LEU A 8 3.072 -15.526 3.226 1.00 1.00 H new ATOM 0 HB2 LEU A 8 2.770 -13.093 1.408 1.00 1.00 H new ATOM 0 HB3 LEU A 8 3.649 -14.568 1.060 1.00 1.00 H new ATOM 0 HG LEU A 8 0.627 -14.367 1.485 1.00 1.00 H new ATOM 0 HD11 LEU A 8 0.537 -14.931 -0.934 1.00 1.00 H new ATOM 0 HD12 LEU A 8 1.428 -13.413 -0.667 1.00 1.00 H new ATOM 0 HD13 LEU A 8 2.316 -14.919 -1.002 1.00 1.00 H new ATOM 0 HD21 LEU A 8 0.604 -16.747 0.793 1.00 1.00 H new ATOM 0 HD22 LEU A 8 2.382 -16.744 0.716 1.00 1.00 H new ATOM 0 HD23 LEU A 8 1.558 -16.523 2.278 1.00 1.00 H new ATOM 106 N LEU A 9 3.709 -12.820 4.659 1.00 1.00 N ATOM 107 CA LEU A 9 4.720 -12.008 5.319 1.00 1.00 C ATOM 108 C LEU A 9 5.493 -12.841 6.342 1.00 1.00 C ATOM 109 O LEU A 9 6.474 -12.377 6.923 1.00 1.00 O ATOM 110 CB LEU A 9 4.033 -10.827 6.021 1.00 1.00 C ATOM 111 CG LEU A 9 3.680 -9.747 4.992 1.00 1.00 C ATOM 112 CD1 LEU A 9 2.776 -10.344 3.909 1.00 1.00 C ATOM 113 CD2 LEU A 9 2.945 -8.597 5.690 1.00 1.00 C ATOM 0 H LEU A 9 2.764 -12.692 5.022 1.00 1.00 H new ATOM 0 HA LEU A 9 5.425 -11.638 4.574 1.00 1.00 H new ATOM 0 HB2 LEU A 9 3.131 -11.168 6.528 1.00 1.00 H new ATOM 0 HB3 LEU A 9 4.691 -10.413 6.785 1.00 1.00 H new ATOM 0 HG LEU A 9 4.595 -9.372 4.534 1.00 1.00 H new ATOM 0 HD11 LEU A 9 2.526 -9.574 3.179 1.00 1.00 H new ATOM 0 HD12 LEU A 9 3.296 -11.162 3.411 1.00 1.00 H new ATOM 0 HD13 LEU A 9 1.861 -10.721 4.366 1.00 1.00 H new ATOM 0 HD21 LEU A 9 2.694 -7.829 4.959 1.00 1.00 H new ATOM 0 HD22 LEU A 9 2.031 -8.974 6.148 1.00 1.00 H new ATOM 0 HD23 LEU A 9 3.587 -8.169 6.460 1.00 1.00 H new ATOM 125 N SER A 10 5.022 -14.063 6.572 1.00 1.00 N ATOM 126 CA SER A 10 5.657 -14.946 7.549 1.00 1.00 C ATOM 127 C SER A 10 7.072 -15.303 7.148 1.00 1.00 C ATOM 128 O SER A 10 8.027 -14.950 7.837 1.00 1.00 O ATOM 129 CB SER A 10 4.838 -16.226 7.738 1.00 1.00 C ATOM 130 OG SER A 10 3.491 -15.887 8.032 1.00 1.00 O ATOM 0 H SER A 10 4.211 -14.463 6.101 1.00 1.00 H new ATOM 0 HA SER A 10 5.697 -14.401 8.492 1.00 1.00 H new ATOM 0 HB2 SER A 10 4.882 -16.835 6.835 1.00 1.00 H new ATOM 0 HB3 SER A 10 5.259 -16.824 8.547 1.00 1.00 H new ATOM 0 HG SER A 10 3.058 -15.537 7.226 1.00 1.00 H new ATOM 136 N PHE A 11 7.202 -16.034 6.056 1.00 1.00 N ATOM 137 CA PHE A 11 8.516 -16.462 5.605 1.00 1.00 C ATOM 138 C PHE A 11 9.505 -15.309 5.712 1.00 1.00 C ATOM 139 O PHE A 11 10.599 -15.470 6.251 1.00 1.00 O ATOM 140 CB PHE A 11 8.430 -16.927 4.154 1.00 1.00 C ATOM 141 CG PHE A 11 9.793 -17.361 3.676 1.00 1.00 C ATOM 142 CD1 PHE A 11 10.268 -18.640 3.986 1.00 1.00 C ATOM 143 CD2 PHE A 11 10.574 -16.489 2.910 1.00 1.00 C ATOM 144 CE1 PHE A 11 11.529 -19.046 3.532 1.00 1.00 C ATOM 145 CE2 PHE A 11 11.832 -16.895 2.453 1.00 1.00 C ATOM 146 CZ PHE A 11 12.311 -18.174 2.763 1.00 1.00 C ATOM 0 H PHE A 11 6.425 -16.341 5.470 1.00 1.00 H new ATOM 0 HA PHE A 11 8.858 -17.285 6.233 1.00 1.00 H new ATOM 0 HB2 PHE A 11 7.724 -17.753 4.068 1.00 1.00 H new ATOM 0 HB3 PHE A 11 8.054 -16.120 3.525 1.00 1.00 H new ATOM 0 HD1 PHE A 11 9.663 -19.313 4.575 1.00 1.00 H new ATOM 0 HD2 PHE A 11 10.206 -15.502 2.672 1.00 1.00 H new ATOM 0 HE1 PHE A 11 11.899 -20.031 3.775 1.00 1.00 H new ATOM 0 HE2 PHE A 11 12.434 -16.222 1.861 1.00 1.00 H new ATOM 0 HZ PHE A 11 13.282 -18.488 2.410 1.00 1.00 H new ATOM 156 N MET A 12 9.126 -14.159 5.178 1.00 1.00 N ATOM 157 CA MET A 12 10.010 -12.996 5.201 1.00 1.00 C ATOM 158 C MET A 12 10.252 -12.534 6.633 1.00 1.00 C ATOM 159 O MET A 12 11.392 -12.484 7.093 1.00 1.00 O ATOM 160 CB MET A 12 9.391 -11.856 4.389 1.00 1.00 C ATOM 161 CG MET A 12 10.422 -10.741 4.195 1.00 1.00 C ATOM 162 SD MET A 12 11.692 -11.290 3.027 1.00 1.00 S ATOM 163 CE MET A 12 10.931 -10.626 1.525 1.00 1.00 C ATOM 0 H MET A 12 8.224 -14.002 4.728 1.00 1.00 H new ATOM 0 HA MET A 12 10.965 -13.279 4.759 1.00 1.00 H new ATOM 0 HB2 MET A 12 9.056 -12.227 3.420 1.00 1.00 H new ATOM 0 HB3 MET A 12 8.512 -11.466 4.903 1.00 1.00 H new ATOM 0 HG2 MET A 12 9.934 -9.841 3.821 1.00 1.00 H new ATOM 0 HG3 MET A 12 10.879 -10.483 5.151 1.00 1.00 H new ATOM 0 HE1 MET A 12 11.561 -10.856 0.666 1.00 1.00 H new ATOM 0 HE2 MET A 12 9.948 -11.077 1.385 1.00 1.00 H new ATOM 0 HE3 MET A 12 10.825 -9.545 1.618 1.00 1.00 H new ATOM 173 N GLN A 13 9.172 -12.192 7.323 1.00 1.00 N ATOM 174 CA GLN A 13 9.269 -11.726 8.708 1.00 1.00 C ATOM 175 C GLN A 13 10.364 -12.485 9.457 1.00 1.00 C ATOM 176 O GLN A 13 11.290 -11.883 9.998 1.00 1.00 O ATOM 177 CB GLN A 13 7.927 -11.909 9.418 1.00 1.00 C ATOM 178 CG GLN A 13 8.047 -11.452 10.874 1.00 1.00 C ATOM 179 CD GLN A 13 6.679 -11.478 11.542 1.00 1.00 C ATOM 180 OE1 GLN A 13 6.051 -12.533 11.633 1.00 1.00 O ATOM 181 NE2 GLN A 13 6.175 -10.372 12.014 1.00 1.00 N ATOM 0 H GLN A 13 8.222 -12.227 6.953 1.00 1.00 H new ATOM 0 HA GLN A 13 9.527 -10.667 8.698 1.00 1.00 H new ATOM 0 HB2 GLN A 13 7.154 -11.334 8.909 1.00 1.00 H new ATOM 0 HB3 GLN A 13 7.624 -12.955 9.379 1.00 1.00 H new ATOM 0 HG2 GLN A 13 8.736 -12.103 11.412 1.00 1.00 H new ATOM 0 HG3 GLN A 13 8.462 -10.445 10.915 1.00 1.00 H new ATOM 0 HE21 GLN A 13 6.698 -9.500 11.937 1.00 1.00 H new ATOM 0 HE22 GLN A 13 5.258 -10.379 12.460 1.00 1.00 H new ATOM 190 N GLY A 14 10.247 -13.806 9.490 1.00 1.00 N ATOM 191 CA GLY A 14 11.230 -14.633 10.183 1.00 1.00 C ATOM 192 C GLY A 14 12.580 -14.629 9.464 1.00 1.00 C ATOM 193 O GLY A 14 13.632 -14.618 10.100 1.00 1.00 O ATOM 0 H GLY A 14 9.488 -14.326 9.049 1.00 1.00 H new ATOM 0 HA2 GLY A 14 11.359 -14.268 11.202 1.00 1.00 H new ATOM 0 HA3 GLY A 14 10.859 -15.655 10.255 1.00 1.00 H new ATOM 197 N TYR A 15 12.552 -14.653 8.138 1.00 1.00 N ATOM 198 CA TYR A 15 13.793 -14.668 7.367 1.00 1.00 C ATOM 199 C TYR A 15 14.763 -13.647 7.903 1.00 1.00 C ATOM 200 O TYR A 15 15.842 -13.997 8.375 1.00 1.00 O ATOM 201 CB TYR A 15 13.497 -14.404 5.886 1.00 1.00 C ATOM 202 CG TYR A 15 14.769 -14.485 5.079 1.00 1.00 C ATOM 203 CD1 TYR A 15 15.262 -15.735 4.692 1.00 1.00 C ATOM 204 CD2 TYR A 15 15.442 -13.316 4.701 1.00 1.00 C ATOM 205 CE1 TYR A 15 16.431 -15.818 3.929 1.00 1.00 C ATOM 206 CE2 TYR A 15 16.610 -13.400 3.934 1.00 1.00 C ATOM 207 CZ TYR A 15 17.104 -14.652 3.548 1.00 1.00 C ATOM 208 OH TYR A 15 18.253 -14.738 2.788 1.00 1.00 O ATOM 0 H TYR A 15 11.699 -14.662 7.579 1.00 1.00 H new ATOM 0 HA TYR A 15 14.250 -15.653 7.462 1.00 1.00 H new ATOM 0 HB2 TYR A 15 12.776 -15.133 5.516 1.00 1.00 H new ATOM 0 HB3 TYR A 15 13.045 -13.419 5.768 1.00 1.00 H new ATOM 0 HD1 TYR A 15 14.741 -16.635 4.982 1.00 1.00 H new ATOM 0 HD2 TYR A 15 15.060 -12.351 5.001 1.00 1.00 H new ATOM 0 HE1 TYR A 15 16.815 -16.783 3.633 1.00 1.00 H new ATOM 0 HE2 TYR A 15 17.130 -12.500 3.640 1.00 1.00 H new ATOM 0 HH TYR A 15 18.595 -13.837 2.609 1.00 1.00 H new ATOM 218 N MET A 16 14.392 -12.393 7.824 1.00 1.00 N ATOM 219 CA MET A 16 15.270 -11.353 8.312 1.00 1.00 C ATOM 220 C MET A 16 15.605 -11.634 9.763 1.00 1.00 C ATOM 221 O MET A 16 16.705 -11.330 10.219 1.00 1.00 O ATOM 222 CB MET A 16 14.586 -9.990 8.203 1.00 1.00 C ATOM 223 CG MET A 16 14.410 -9.608 6.732 1.00 1.00 C ATOM 224 SD MET A 16 13.610 -7.988 6.636 1.00 1.00 S ATOM 225 CE MET A 16 13.308 -7.973 4.853 1.00 1.00 C ATOM 0 H MET A 16 13.506 -12.069 7.435 1.00 1.00 H new ATOM 0 HA MET A 16 16.180 -11.339 7.713 1.00 1.00 H new ATOM 0 HB2 MET A 16 13.615 -10.021 8.698 1.00 1.00 H new ATOM 0 HB3 MET A 16 15.181 -9.234 8.715 1.00 1.00 H new ATOM 0 HG2 MET A 16 15.378 -9.580 6.232 1.00 1.00 H new ATOM 0 HG3 MET A 16 13.807 -10.357 6.218 1.00 1.00 H new ATOM 0 HE1 MET A 16 12.812 -7.043 4.576 1.00 1.00 H new ATOM 0 HE2 MET A 16 14.257 -8.050 4.323 1.00 1.00 H new ATOM 0 HE3 MET A 16 12.673 -8.817 4.584 1.00 1.00 H new ATOM 235 N LYS A 17 14.668 -12.234 10.485 1.00 1.00 N ATOM 236 CA LYS A 17 14.929 -12.560 11.882 1.00 1.00 C ATOM 237 C LYS A 17 16.063 -13.576 11.977 1.00 1.00 C ATOM 238 O LYS A 17 16.990 -13.420 12.773 1.00 1.00 O ATOM 239 CB LYS A 17 13.662 -13.095 12.565 1.00 1.00 C ATOM 240 CG LYS A 17 13.776 -12.925 14.083 1.00 1.00 C ATOM 241 CD LYS A 17 12.452 -13.322 14.732 1.00 1.00 C ATOM 242 CE LYS A 17 12.576 -13.216 16.252 1.00 1.00 C ATOM 243 NZ LYS A 17 12.861 -11.802 16.628 1.00 1.00 N ATOM 0 H LYS A 17 13.745 -12.499 10.140 1.00 1.00 H new ATOM 0 HA LYS A 17 15.229 -11.650 12.401 1.00 1.00 H new ATOM 0 HB2 LYS A 17 12.786 -12.561 12.195 1.00 1.00 H new ATOM 0 HB3 LYS A 17 13.522 -14.147 12.318 1.00 1.00 H new ATOM 0 HG2 LYS A 17 14.585 -13.544 14.471 1.00 1.00 H new ATOM 0 HG3 LYS A 17 14.020 -11.891 14.328 1.00 1.00 H new ATOM 0 HD2 LYS A 17 11.652 -12.673 14.376 1.00 1.00 H new ATOM 0 HD3 LYS A 17 12.187 -14.341 14.448 1.00 1.00 H new ATOM 0 HE2 LYS A 17 11.654 -13.552 16.727 1.00 1.00 H new ATOM 0 HE3 LYS A 17 13.374 -13.867 16.609 1.00 1.00 H new ATOM 0 HZ1 LYS A 17 12.631 -11.657 17.632 1.00 1.00 H new ATOM 0 HZ2 LYS A 17 13.868 -11.597 16.470 1.00 1.00 H new ATOM 0 HZ3 LYS A 17 12.282 -11.164 16.045 1.00 1.00 H new ATOM 257 N HIS A 18 15.972 -14.625 11.160 1.00 1.00 N ATOM 258 CA HIS A 18 16.986 -15.673 11.157 1.00 1.00 C ATOM 259 C HIS A 18 18.263 -15.217 10.466 1.00 1.00 C ATOM 260 O HIS A 18 19.357 -15.408 10.988 1.00 1.00 O ATOM 261 CB HIS A 18 16.445 -16.914 10.452 1.00 1.00 C ATOM 262 CG HIS A 18 15.301 -17.476 11.248 1.00 1.00 C ATOM 263 ND1 HIS A 18 15.494 -18.153 12.441 1.00 1.00 N ATOM 264 CD2 HIS A 18 13.944 -17.462 11.040 1.00 1.00 C ATOM 265 CE1 HIS A 18 14.284 -18.517 12.901 1.00 1.00 C ATOM 266 NE2 HIS A 18 13.304 -18.121 12.084 1.00 1.00 N ATOM 0 H HIS A 18 15.211 -14.769 10.497 1.00 1.00 H new ATOM 0 HA HIS A 18 17.225 -15.906 12.195 1.00 1.00 H new ATOM 0 HB2 HIS A 18 16.113 -16.659 9.446 1.00 1.00 H new ATOM 0 HB3 HIS A 18 17.233 -17.660 10.348 1.00 1.00 H new ATOM 0 HD2 HIS A 18 13.449 -17.008 10.194 1.00 1.00 H new ATOM 0 HE1 HIS A 18 14.124 -19.063 13.819 1.00 1.00 H new ATOM 0 HE2 HIS A 18 12.302 -18.270 12.201 1.00 1.00 H new ATOM 274 N ALA A 19 18.138 -14.645 9.272 1.00 1.00 N ATOM 275 CA ALA A 19 19.323 -14.218 8.531 1.00 1.00 C ATOM 276 C ALA A 19 20.126 -13.205 9.314 1.00 1.00 C ATOM 277 O ALA A 19 21.309 -13.005 9.059 1.00 1.00 O ATOM 278 CB ALA A 19 18.917 -13.636 7.175 1.00 1.00 C ATOM 0 H ALA A 19 17.249 -14.469 8.804 1.00 1.00 H new ATOM 0 HA ALA A 19 19.952 -15.094 8.370 1.00 1.00 H new ATOM 0 HB1 ALA A 19 19.809 -13.321 6.632 1.00 1.00 H new ATOM 0 HB2 ALA A 19 18.389 -14.394 6.597 1.00 1.00 H new ATOM 0 HB3 ALA A 19 18.264 -12.777 7.329 1.00 1.00 H new ATOM 284 N THR A 20 19.491 -12.591 10.280 1.00 1.00 N ATOM 285 CA THR A 20 20.182 -11.619 11.119 1.00 1.00 C ATOM 286 C THR A 20 21.228 -12.330 11.983 1.00 1.00 C ATOM 287 O THR A 20 22.188 -11.711 12.441 1.00 1.00 O ATOM 288 CB THR A 20 19.160 -10.896 12.009 1.00 1.00 C ATOM 289 OG1 THR A 20 18.391 -10.007 11.213 1.00 1.00 O ATOM 290 CG2 THR A 20 19.872 -10.107 13.113 1.00 1.00 C ATOM 0 H THR A 20 18.508 -12.738 10.511 1.00 1.00 H new ATOM 0 HA THR A 20 20.688 -10.887 10.489 1.00 1.00 H new ATOM 0 HB THR A 20 18.509 -11.637 12.473 1.00 1.00 H new ATOM 0 HG1 THR A 20 17.520 -10.412 11.019 1.00 1.00 H new ATOM 0 HG21 THR A 20 19.132 -9.601 13.734 1.00 1.00 H new ATOM 0 HG22 THR A 20 20.457 -10.790 13.729 1.00 1.00 H new ATOM 0 HG23 THR A 20 20.534 -9.368 12.663 1.00 1.00 H new ATOM 298 N LYS A 21 21.058 -13.637 12.168 1.00 1.00 N ATOM 299 CA LYS A 21 22.023 -14.413 12.950 1.00 1.00 C ATOM 300 C LYS A 21 23.363 -14.512 12.223 1.00 1.00 C ATOM 301 O LYS A 21 24.421 -14.473 12.850 1.00 1.00 O ATOM 302 CB LYS A 21 21.486 -15.815 13.289 1.00 1.00 C ATOM 303 CG LYS A 21 20.526 -15.731 14.486 1.00 1.00 C ATOM 304 CD LYS A 21 19.453 -14.668 14.232 1.00 1.00 C ATOM 305 CE LYS A 21 18.393 -14.750 15.327 1.00 1.00 C ATOM 306 NZ LYS A 21 19.012 -14.398 16.637 1.00 1.00 N ATOM 0 H LYS A 21 20.276 -14.176 11.795 1.00 1.00 H new ATOM 0 HA LYS A 21 22.178 -13.883 13.889 1.00 1.00 H new ATOM 0 HB2 LYS A 21 20.969 -16.235 12.426 1.00 1.00 H new ATOM 0 HB3 LYS A 21 22.314 -16.485 13.522 1.00 1.00 H new ATOM 0 HG2 LYS A 21 20.056 -16.700 14.652 1.00 1.00 H new ATOM 0 HG3 LYS A 21 21.082 -15.487 15.391 1.00 1.00 H new ATOM 0 HD2 LYS A 21 19.904 -13.676 14.220 1.00 1.00 H new ATOM 0 HD3 LYS A 21 18.996 -14.823 13.255 1.00 1.00 H new ATOM 0 HE2 LYS A 21 17.571 -14.070 15.105 1.00 1.00 H new ATOM 0 HE3 LYS A 21 17.973 -15.755 15.368 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 18.264 -14.220 17.338 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 19.610 -15.185 16.961 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 19.594 -13.543 16.527 1.00 1.00 H new ATOM 320 N THR A 22 23.314 -14.661 10.903 1.00 1.00 N ATOM 321 CA THR A 22 24.538 -14.790 10.110 1.00 1.00 C ATOM 322 C THR A 22 25.481 -13.601 10.325 1.00 1.00 C ATOM 323 O THR A 22 26.656 -13.653 9.954 1.00 1.00 O ATOM 324 CB THR A 22 24.173 -14.930 8.618 1.00 1.00 C ATOM 325 OG1 THR A 22 25.182 -15.676 7.958 1.00 1.00 O ATOM 326 CG2 THR A 22 24.039 -13.551 7.950 1.00 1.00 C ATOM 0 H THR A 22 22.450 -14.696 10.361 1.00 1.00 H new ATOM 0 HA THR A 22 25.067 -15.684 10.440 1.00 1.00 H new ATOM 0 HB THR A 22 23.214 -15.443 8.543 1.00 1.00 H new ATOM 0 HG1 THR A 22 24.953 -15.769 7.010 1.00 1.00 H new ATOM 0 HG21 THR A 22 23.781 -13.679 6.899 1.00 1.00 H new ATOM 0 HG22 THR A 22 23.256 -12.980 8.448 1.00 1.00 H new ATOM 0 HG23 THR A 22 24.985 -13.015 8.029 1.00 1.00 H new ATOM 334 N ALA A 23 24.963 -12.537 10.918 1.00 1.00 N ATOM 335 CA ALA A 23 25.757 -11.349 11.174 1.00 1.00 C ATOM 336 C ALA A 23 27.074 -11.719 11.843 1.00 1.00 C ATOM 337 O ALA A 23 28.135 -11.347 11.368 1.00 1.00 O ATOM 338 CB ALA A 23 24.967 -10.396 12.070 1.00 1.00 C ATOM 0 H ALA A 23 23.994 -12.473 11.231 1.00 1.00 H new ATOM 0 HA ALA A 23 25.979 -10.860 10.225 1.00 1.00 H new ATOM 0 HB1 ALA A 23 25.561 -9.503 12.264 1.00 1.00 H new ATOM 0 HB2 ALA A 23 24.039 -10.114 11.572 1.00 1.00 H new ATOM 0 HB3 ALA A 23 24.737 -10.891 13.014 1.00 1.00 H new ATOM 344 N LYS A 24 27.000 -12.454 12.948 1.00 1.00 N ATOM 345 CA LYS A 24 28.205 -12.865 13.664 1.00 1.00 C ATOM 346 C LYS A 24 29.219 -13.493 12.702 1.00 1.00 C ATOM 347 O LYS A 24 30.247 -12.896 12.378 1.00 1.00 O ATOM 348 CB LYS A 24 27.803 -13.875 14.743 1.00 1.00 C ATOM 349 CG LYS A 24 29.013 -14.232 15.606 1.00 1.00 C ATOM 350 CD LYS A 24 28.562 -15.098 16.790 1.00 1.00 C ATOM 351 CE LYS A 24 28.135 -16.488 16.306 1.00 1.00 C ATOM 352 NZ LYS A 24 28.086 -17.418 17.471 1.00 1.00 N ATOM 0 H LYS A 24 26.127 -12.776 13.365 1.00 1.00 H new ATOM 0 HA LYS A 24 28.675 -11.994 14.121 1.00 1.00 H new ATOM 0 HB2 LYS A 24 27.013 -13.457 15.367 1.00 1.00 H new ATOM 0 HB3 LYS A 24 27.400 -14.775 14.278 1.00 1.00 H new ATOM 0 HG2 LYS A 24 29.752 -14.768 15.010 1.00 1.00 H new ATOM 0 HG3 LYS A 24 29.494 -13.324 15.969 1.00 1.00 H new ATOM 0 HD2 LYS A 24 29.375 -15.191 17.511 1.00 1.00 H new ATOM 0 HD3 LYS A 24 27.732 -14.615 17.306 1.00 1.00 H new ATOM 0 HE2 LYS A 24 27.158 -16.435 15.826 1.00 1.00 H new ATOM 0 HE3 LYS A 24 28.837 -16.858 15.559 1.00 1.00 H new ATOM 0 HZ1 LYS A 24 27.797 -18.363 17.149 1.00 1.00 H new ATOM 0 HZ2 LYS A 24 29.027 -17.475 17.910 1.00 1.00 H new ATOM 0 HZ3 LYS A 24 27.400 -17.065 18.168 1.00 1.00 H new ATOM 366 N ASP A 25 28.926 -14.722 12.298 1.00 1.00 N ATOM 367 CA ASP A 25 29.810 -15.477 11.418 1.00 1.00 C ATOM 368 C ASP A 25 30.245 -14.581 10.270 1.00 1.00 C ATOM 369 O ASP A 25 31.411 -14.578 9.874 1.00 1.00 O ATOM 370 CB ASP A 25 29.088 -16.709 10.858 1.00 1.00 C ATOM 371 CG ASP A 25 28.871 -17.743 11.959 1.00 1.00 C ATOM 372 OD1 ASP A 25 29.481 -17.603 13.006 1.00 1.00 O ATOM 373 OD2 ASP A 25 28.100 -18.663 11.736 1.00 1.00 O ATOM 0 H ASP A 25 28.078 -15.220 12.567 1.00 1.00 H new ATOM 0 HA ASP A 25 30.678 -15.811 11.986 1.00 1.00 H new ATOM 0 HB2 ASP A 25 28.129 -16.414 10.433 1.00 1.00 H new ATOM 0 HB3 ASP A 25 29.674 -17.146 10.050 1.00 1.00 H new ATOM 378 N ALA A 26 29.308 -13.789 9.770 1.00 1.00 N ATOM 379 CA ALA A 26 29.613 -12.855 8.702 1.00 1.00 C ATOM 380 C ALA A 26 30.537 -11.748 9.222 1.00 1.00 C ATOM 381 O ALA A 26 31.475 -11.341 8.542 1.00 1.00 O ATOM 382 CB ALA A 26 28.324 -12.234 8.177 1.00 1.00 C ATOM 0 H ALA A 26 28.338 -13.776 10.085 1.00 1.00 H new ATOM 0 HA ALA A 26 30.113 -13.391 7.896 1.00 1.00 H new ATOM 0 HB1 ALA A 26 28.558 -11.533 7.375 1.00 1.00 H new ATOM 0 HB2 ALA A 26 27.672 -13.019 7.794 1.00 1.00 H new ATOM 0 HB3 ALA A 26 27.819 -11.705 8.985 1.00 1.00 H new ATOM 388 N LEU A 27 30.263 -11.262 10.437 1.00 1.00 N ATOM 389 CA LEU A 27 31.085 -10.192 11.031 1.00 1.00 C ATOM 390 C LEU A 27 32.541 -10.621 11.151 1.00 1.00 C ATOM 391 O LEU A 27 33.450 -9.870 10.796 1.00 1.00 O ATOM 392 CB LEU A 27 30.530 -9.792 12.426 1.00 1.00 C ATOM 393 CG LEU A 27 29.767 -8.458 12.363 1.00 1.00 C ATOM 394 CD1 LEU A 27 28.477 -8.631 11.562 1.00 1.00 C ATOM 395 CD2 LEU A 27 29.423 -8.010 13.787 1.00 1.00 C ATOM 0 H LEU A 27 29.493 -11.583 11.024 1.00 1.00 H new ATOM 0 HA LEU A 27 31.037 -9.327 10.369 1.00 1.00 H new ATOM 0 HB2 LEU A 27 29.867 -10.575 12.794 1.00 1.00 H new ATOM 0 HB3 LEU A 27 31.352 -9.710 13.137 1.00 1.00 H new ATOM 0 HG LEU A 27 30.391 -7.708 11.877 1.00 1.00 H new ATOM 0 HD11 LEU A 27 27.943 -7.682 11.523 1.00 1.00 H new ATOM 0 HD12 LEU A 27 28.718 -8.954 10.549 1.00 1.00 H new ATOM 0 HD13 LEU A 27 27.848 -9.381 12.042 1.00 1.00 H new ATOM 0 HD21 LEU A 27 28.882 -7.065 13.750 1.00 1.00 H new ATOM 0 HD22 LEU A 27 28.801 -8.766 14.266 1.00 1.00 H new ATOM 0 HD23 LEU A 27 30.341 -7.880 14.359 1.00 1.00 H new ATOM 407 N SER A 28 32.753 -11.820 11.647 1.00 1.00 N ATOM 408 CA SER A 28 34.107 -12.335 11.800 1.00 1.00 C ATOM 409 C SER A 28 34.777 -12.357 10.436 1.00 1.00 C ATOM 410 O SER A 28 35.998 -12.248 10.320 1.00 1.00 O ATOM 411 CB SER A 28 34.073 -13.743 12.394 1.00 1.00 C ATOM 412 OG SER A 28 33.716 -13.659 13.768 1.00 1.00 O ATOM 0 H SER A 28 32.016 -12.456 11.951 1.00 1.00 H new ATOM 0 HA SER A 28 34.670 -11.693 12.477 1.00 1.00 H new ATOM 0 HB2 SER A 28 33.354 -14.361 11.856 1.00 1.00 H new ATOM 0 HB3 SER A 28 35.047 -14.220 12.287 1.00 1.00 H new ATOM 0 HG SER A 28 33.691 -14.559 14.155 1.00 1.00 H new ATOM 418 N SER A 29 33.954 -12.488 9.405 1.00 1.00 N ATOM 419 CA SER A 29 34.479 -12.510 8.034 1.00 1.00 C ATOM 420 C SER A 29 34.924 -11.108 7.581 1.00 1.00 C ATOM 421 O SER A 29 35.353 -10.930 6.441 1.00 1.00 O ATOM 422 CB SER A 29 33.442 -13.060 7.049 1.00 1.00 C ATOM 423 OG SER A 29 32.590 -12.008 6.618 1.00 1.00 O ATOM 0 H SER A 29 32.941 -12.579 9.480 1.00 1.00 H new ATOM 0 HA SER A 29 35.346 -13.170 8.038 1.00 1.00 H new ATOM 0 HB2 SER A 29 33.943 -13.510 6.192 1.00 1.00 H new ATOM 0 HB3 SER A 29 32.855 -13.846 7.524 1.00 1.00 H new ATOM 0 HG SER A 29 32.236 -11.533 7.399 1.00 1.00 H new ATOM 429 N VAL A 30 34.806 -10.112 8.464 1.00 1.00 N ATOM 430 CA VAL A 30 35.180 -8.736 8.111 1.00 1.00 C ATOM 431 C VAL A 30 36.645 -8.627 7.660 1.00 1.00 C ATOM 432 O VAL A 30 37.116 -7.537 7.348 1.00 1.00 O ATOM 433 CB VAL A 30 34.936 -7.807 9.307 1.00 1.00 C ATOM 434 CG1 VAL A 30 35.817 -8.247 10.479 1.00 1.00 C ATOM 435 CG2 VAL A 30 35.273 -6.353 8.920 1.00 1.00 C ATOM 0 H VAL A 30 34.460 -10.228 9.416 1.00 1.00 H new ATOM 0 HA VAL A 30 34.555 -8.435 7.270 1.00 1.00 H new ATOM 0 HB VAL A 30 33.887 -7.862 9.599 1.00 1.00 H new ATOM 0 HG11 VAL A 30 35.646 -7.588 11.330 1.00 1.00 H new ATOM 0 HG12 VAL A 30 35.568 -9.271 10.757 1.00 1.00 H new ATOM 0 HG13 VAL A 30 36.865 -8.195 10.186 1.00 1.00 H new ATOM 0 HG21 VAL A 30 35.097 -5.699 9.774 1.00 1.00 H new ATOM 0 HG22 VAL A 30 36.320 -6.289 8.623 1.00 1.00 H new ATOM 0 HG23 VAL A 30 34.640 -6.042 8.089 1.00 1.00 H new ATOM 445 N GLN A 31 37.357 -9.752 7.632 1.00 1.00 N ATOM 446 CA GLN A 31 38.775 -9.765 7.216 1.00 1.00 C ATOM 447 C GLN A 31 38.996 -8.906 5.987 1.00 1.00 C ATOM 448 O GLN A 31 40.131 -8.563 5.662 1.00 1.00 O ATOM 449 CB GLN A 31 39.209 -11.211 6.919 1.00 1.00 C ATOM 450 CG GLN A 31 38.067 -11.937 6.191 1.00 1.00 C ATOM 451 CD GLN A 31 38.590 -13.174 5.463 1.00 1.00 C ATOM 452 OE1 GLN A 31 39.731 -13.189 5.002 1.00 1.00 O ATOM 453 NE2 GLN A 31 37.814 -14.217 5.327 1.00 1.00 N ATOM 0 H GLN A 31 36.986 -10.667 7.889 1.00 1.00 H new ATOM 0 HA GLN A 31 39.374 -9.355 8.029 1.00 1.00 H new ATOM 0 HB2 GLN A 31 40.110 -11.215 6.305 1.00 1.00 H new ATOM 0 HB3 GLN A 31 39.453 -11.729 7.847 1.00 1.00 H new ATOM 0 HG2 GLN A 31 37.299 -12.228 6.908 1.00 1.00 H new ATOM 0 HG3 GLN A 31 37.596 -11.261 5.477 1.00 1.00 H new ATOM 0 HE21 GLN A 31 36.869 -14.203 5.710 1.00 1.00 H new ATOM 0 HE22 GLN A 31 38.154 -15.045 4.838 1.00 1.00 H new ATOM 462 N GLU A 32 37.920 -8.529 5.331 1.00 1.00 N ATOM 463 CA GLU A 32 38.031 -7.676 4.172 1.00 1.00 C ATOM 464 C GLU A 32 38.368 -6.264 4.645 1.00 1.00 C ATOM 465 O GLU A 32 38.607 -5.364 3.841 1.00 1.00 O ATOM 466 CB GLU A 32 36.711 -7.691 3.397 1.00 1.00 C ATOM 467 CG GLU A 32 36.885 -6.983 2.052 1.00 1.00 C ATOM 468 CD GLU A 32 35.629 -7.166 1.210 1.00 1.00 C ATOM 469 OE1 GLU A 32 34.828 -8.017 1.555 1.00 1.00 O ATOM 470 OE2 GLU A 32 35.490 -6.454 0.229 1.00 1.00 O ATOM 0 H GLU A 32 36.968 -8.797 5.579 1.00 1.00 H new ATOM 0 HA GLU A 32 38.818 -8.031 3.507 1.00 1.00 H new ATOM 0 HB2 GLU A 32 36.386 -8.719 3.237 1.00 1.00 H new ATOM 0 HB3 GLU A 32 35.933 -7.197 3.979 1.00 1.00 H new ATOM 0 HG2 GLU A 32 37.077 -5.922 2.211 1.00 1.00 H new ATOM 0 HG3 GLU A 32 37.749 -7.388 1.526 1.00 1.00 H new ATOM 477 N SER A 33 38.408 -6.081 5.972 1.00 1.00 N ATOM 478 CA SER A 33 38.738 -4.778 6.543 1.00 1.00 C ATOM 479 C SER A 33 40.030 -4.277 5.938 1.00 1.00 C ATOM 480 O SER A 33 40.361 -3.098 6.045 1.00 1.00 O ATOM 481 CB SER A 33 38.891 -4.853 8.071 1.00 1.00 C ATOM 482 OG SER A 33 39.857 -3.897 8.495 1.00 1.00 O ATOM 0 H SER A 33 38.218 -6.811 6.658 1.00 1.00 H new ATOM 0 HA SER A 33 37.921 -4.094 6.315 1.00 1.00 H new ATOM 0 HB2 SER A 33 37.933 -4.658 8.554 1.00 1.00 H new ATOM 0 HB3 SER A 33 39.200 -5.855 8.368 1.00 1.00 H new ATOM 0 HG SER A 33 39.975 -3.219 7.797 1.00 1.00 H new ATOM 488 N GLN A 34 40.765 -5.179 5.306 1.00 1.00 N ATOM 489 CA GLN A 34 42.035 -4.791 4.692 1.00 1.00 C ATOM 490 C GLN A 34 41.879 -3.499 3.878 1.00 1.00 C ATOM 491 O GLN A 34 42.875 -2.906 3.461 1.00 1.00 O ATOM 492 CB GLN A 34 42.545 -5.903 3.780 1.00 1.00 C ATOM 493 CG GLN A 34 42.970 -7.099 4.630 1.00 1.00 C ATOM 494 CD GLN A 34 43.401 -8.249 3.730 1.00 1.00 C ATOM 495 OE1 GLN A 34 42.598 -8.767 2.955 1.00 1.00 O ATOM 496 NE2 GLN A 34 44.630 -8.679 3.787 1.00 1.00 N ATOM 0 H GLN A 34 40.516 -6.163 5.203 1.00 1.00 H new ATOM 0 HA GLN A 34 42.754 -4.619 5.493 1.00 1.00 H new ATOM 0 HB2 GLN A 34 41.765 -6.200 3.078 1.00 1.00 H new ATOM 0 HB3 GLN A 34 43.387 -5.546 3.188 1.00 1.00 H new ATOM 0 HG2 GLN A 34 43.790 -6.814 5.289 1.00 1.00 H new ATOM 0 HG3 GLN A 34 42.144 -7.415 5.267 1.00 1.00 H new ATOM 0 HE21 GLN A 34 45.292 -8.247 4.431 1.00 1.00 H new ATOM 0 HE22 GLN A 34 44.930 -9.448 3.188 1.00 1.00 H new ATOM 505 N VAL A 35 40.630 -3.077 3.648 1.00 1.00 N ATOM 506 CA VAL A 35 40.350 -1.859 2.875 1.00 1.00 C ATOM 507 C VAL A 35 41.370 -0.757 3.186 1.00 1.00 C ATOM 508 O VAL A 35 41.570 0.159 2.392 1.00 1.00 O ATOM 509 CB VAL A 35 38.939 -1.354 3.204 1.00 1.00 C ATOM 510 CG1 VAL A 35 38.485 -0.335 2.155 1.00 1.00 C ATOM 511 CG2 VAL A 35 37.964 -2.535 3.217 1.00 1.00 C ATOM 0 H VAL A 35 39.797 -3.560 3.985 1.00 1.00 H new ATOM 0 HA VAL A 35 40.422 -2.105 1.816 1.00 1.00 H new ATOM 0 HB VAL A 35 38.954 -0.876 4.183 1.00 1.00 H new ATOM 0 HG11 VAL A 35 37.482 0.016 2.399 1.00 1.00 H new ATOM 0 HG12 VAL A 35 39.174 0.510 2.147 1.00 1.00 H new ATOM 0 HG13 VAL A 35 38.475 -0.805 1.172 1.00 1.00 H new ATOM 0 HG21 VAL A 35 36.961 -2.177 3.451 1.00 1.00 H new ATOM 0 HG22 VAL A 35 37.959 -3.014 2.238 1.00 1.00 H new ATOM 0 HG23 VAL A 35 38.277 -3.257 3.972 1.00 1.00 H new ATOM 521 N ALA A 36 42.043 -0.871 4.322 1.00 1.00 N ATOM 522 CA ALA A 36 43.070 0.104 4.687 1.00 1.00 C ATOM 523 C ALA A 36 44.045 0.279 3.531 1.00 1.00 C ATOM 524 O ALA A 36 44.131 1.355 2.937 1.00 1.00 O ATOM 525 CB ALA A 36 43.822 -0.382 5.925 1.00 1.00 C ATOM 0 H ALA A 36 41.902 -1.618 5.002 1.00 1.00 H new ATOM 0 HA ALA A 36 42.596 1.061 4.906 1.00 1.00 H new ATOM 0 HB1 ALA A 36 44.587 0.346 6.195 1.00 1.00 H new ATOM 0 HB2 ALA A 36 43.123 -0.498 6.753 1.00 1.00 H new ATOM 0 HB3 ALA A 36 44.294 -1.341 5.711 1.00 1.00 H new ATOM 531 N GLN A 37 44.788 -0.786 3.224 1.00 1.00 N ATOM 532 CA GLN A 37 45.770 -0.733 2.139 1.00 1.00 C ATOM 533 C GLN A 37 45.175 0.017 0.947 1.00 1.00 C ATOM 534 O GLN A 37 45.830 0.873 0.355 1.00 1.00 O ATOM 535 CB GLN A 37 46.178 -2.144 1.707 1.00 1.00 C ATOM 536 CG GLN A 37 46.952 -2.828 2.838 1.00 1.00 C ATOM 537 CD GLN A 37 47.295 -4.264 2.445 1.00 1.00 C ATOM 538 OE1 GLN A 37 46.399 -5.067 2.181 1.00 1.00 O ATOM 539 NE2 GLN A 37 48.545 -4.637 2.391 1.00 1.00 N ATOM 0 H GLN A 37 44.731 -1.684 3.704 1.00 1.00 H new ATOM 0 HA GLN A 37 46.657 -0.211 2.498 1.00 1.00 H new ATOM 0 HB2 GLN A 37 45.293 -2.728 1.455 1.00 1.00 H new ATOM 0 HB3 GLN A 37 46.794 -2.096 0.809 1.00 1.00 H new ATOM 0 HG2 GLN A 37 47.865 -2.273 3.052 1.00 1.00 H new ATOM 0 HG3 GLN A 37 46.356 -2.825 3.751 1.00 1.00 H new ATOM 0 HE21 GLN A 37 49.286 -3.971 2.610 1.00 1.00 H new ATOM 0 HE22 GLN A 37 48.781 -5.594 2.130 1.00 1.00 H new ATOM 548 N GLN A 38 43.925 -0.300 0.607 1.00 1.00 N ATOM 549 CA GLN A 38 43.259 0.366 -0.506 1.00 1.00 C ATOM 550 C GLN A 38 43.101 1.845 -0.183 1.00 1.00 C ATOM 551 O GLN A 38 43.579 2.707 -0.917 1.00 1.00 O ATOM 552 CB GLN A 38 41.880 -0.258 -0.703 1.00 1.00 C ATOM 553 CG GLN A 38 41.253 0.249 -1.997 1.00 1.00 C ATOM 554 CD GLN A 38 39.891 -0.409 -2.183 1.00 1.00 C ATOM 555 OE1 GLN A 38 39.594 -1.410 -1.530 1.00 1.00 O ATOM 556 NE2 GLN A 38 39.040 0.092 -3.034 1.00 1.00 N ATOM 0 H GLN A 38 43.361 -1.005 1.081 1.00 1.00 H new ATOM 0 HA GLN A 38 43.850 0.252 -1.415 1.00 1.00 H new ATOM 0 HB2 GLN A 38 41.965 -1.344 -0.733 1.00 1.00 H new ATOM 0 HB3 GLN A 38 41.237 -0.012 0.142 1.00 1.00 H new ATOM 0 HG2 GLN A 38 41.145 1.333 -1.963 1.00 1.00 H new ATOM 0 HG3 GLN A 38 41.900 0.019 -2.843 1.00 1.00 H new ATOM 0 HE21 GLN A 38 39.287 0.921 -3.574 1.00 1.00 H new ATOM 0 HE22 GLN A 38 38.127 -0.345 -3.160 1.00 1.00 H new ATOM 565 N ALA A 39 42.426 2.127 0.925 1.00 1.00 N ATOM 566 CA ALA A 39 42.223 3.517 1.340 1.00 1.00 C ATOM 567 C ALA A 39 43.542 4.274 1.194 1.00 1.00 C ATOM 568 O ALA A 39 43.609 5.296 0.511 1.00 1.00 O ATOM 569 CB ALA A 39 41.747 3.595 2.790 1.00 1.00 C ATOM 0 H ALA A 39 42.015 1.429 1.545 1.00 1.00 H new ATOM 0 HA ALA A 39 41.456 3.964 0.707 1.00 1.00 H new ATOM 0 HB1 ALA A 39 41.605 4.639 3.071 1.00 1.00 H new ATOM 0 HB2 ALA A 39 40.803 3.060 2.892 1.00 1.00 H new ATOM 0 HB3 ALA A 39 42.493 3.142 3.443 1.00 1.00 H new ATOM 575 N ARG A 40 44.588 3.753 1.834 1.00 1.00 N ATOM 576 CA ARG A 40 45.917 4.377 1.764 1.00 1.00 C ATOM 577 C ARG A 40 46.380 4.470 0.317 1.00 1.00 C ATOM 578 O ARG A 40 47.385 5.109 0.000 1.00 1.00 O ATOM 579 CB ARG A 40 46.929 3.553 2.577 1.00 1.00 C ATOM 580 CG ARG A 40 46.435 3.363 4.018 1.00 1.00 C ATOM 581 CD ARG A 40 46.708 4.627 4.839 1.00 1.00 C ATOM 582 NE ARG A 40 48.132 4.938 4.815 1.00 1.00 N ATOM 583 CZ ARG A 40 48.614 6.006 5.438 1.00 1.00 C ATOM 584 NH1 ARG A 40 47.817 6.778 6.127 1.00 1.00 N ATOM 585 NH2 ARG A 40 49.887 6.283 5.360 1.00 1.00 N ATOM 0 H ARG A 40 44.547 2.908 2.403 1.00 1.00 H new ATOM 0 HA ARG A 40 45.852 5.382 2.182 1.00 1.00 H new ATOM 0 HB2 ARG A 40 47.077 2.581 2.106 1.00 1.00 H new ATOM 0 HB3 ARG A 40 47.896 4.056 2.581 1.00 1.00 H new ATOM 0 HG2 ARG A 40 45.367 3.143 4.019 1.00 1.00 H new ATOM 0 HG3 ARG A 40 46.937 2.509 4.473 1.00 1.00 H new ATOM 0 HD2 ARG A 40 46.138 5.463 4.435 1.00 1.00 H new ATOM 0 HD3 ARG A 40 46.376 4.482 5.867 1.00 1.00 H new ATOM 0 HE ARG A 40 48.770 4.323 4.310 1.00 1.00 H new ATOM 0 HH11 ARG A 40 46.822 6.560 6.187 1.00 1.00 H new ATOM 0 HH12 ARG A 40 48.189 7.598 6.605 1.00 1.00 H new ATOM 0 HH21 ARG A 40 50.508 5.679 4.821 1.00 1.00 H new ATOM 0 HH22 ARG A 40 50.261 7.103 5.838 1.00 1.00 H new ATOM 599 N GLY A 41 45.602 3.849 -0.538 1.00 1.00 N ATOM 600 CA GLY A 41 45.869 3.872 -1.965 1.00 1.00 C ATOM 601 C GLY A 41 45.421 5.210 -2.533 1.00 1.00 C ATOM 602 O GLY A 41 46.214 5.963 -3.105 1.00 1.00 O ATOM 0 H GLY A 41 44.773 3.317 -0.272 1.00 1.00 H new ATOM 0 HA2 GLY A 41 46.932 3.721 -2.151 1.00 1.00 H new ATOM 0 HA3 GLY A 41 45.340 3.057 -2.460 1.00 1.00 H new ATOM 606 N TRP A 42 44.128 5.468 -2.406 1.00 1.00 N ATOM 607 CA TRP A 42 43.544 6.698 -2.947 1.00 1.00 C ATOM 608 C TRP A 42 44.380 7.912 -2.558 1.00 1.00 C ATOM 609 O TRP A 42 44.317 8.956 -3.208 1.00 1.00 O ATOM 610 CB TRP A 42 42.101 6.886 -2.454 1.00 1.00 C ATOM 611 CG TRP A 42 41.188 5.914 -3.141 1.00 1.00 C ATOM 612 CD1 TRP A 42 40.681 4.794 -2.571 1.00 1.00 C ATOM 613 CD2 TRP A 42 40.655 5.954 -4.501 1.00 1.00 C ATOM 614 NE1 TRP A 42 39.877 4.146 -3.493 1.00 1.00 N ATOM 615 CE2 TRP A 42 39.829 4.821 -4.696 1.00 1.00 C ATOM 616 CE3 TRP A 42 40.808 6.852 -5.577 1.00 1.00 C ATOM 617 CZ2 TRP A 42 39.180 4.587 -5.909 1.00 1.00 C ATOM 618 CZ3 TRP A 42 40.153 6.619 -6.799 1.00 1.00 C ATOM 619 CH2 TRP A 42 39.340 5.488 -6.964 1.00 1.00 C ATOM 0 H TRP A 42 43.464 4.852 -1.938 1.00 1.00 H new ATOM 0 HA TRP A 42 43.535 6.607 -4.033 1.00 1.00 H new ATOM 0 HB2 TRP A 42 42.056 6.739 -1.375 1.00 1.00 H new ATOM 0 HB3 TRP A 42 41.772 7.906 -2.650 1.00 1.00 H new ATOM 0 HD1 TRP A 42 40.873 4.461 -1.562 1.00 1.00 H new ATOM 0 HE1 TRP A 42 39.380 3.275 -3.306 1.00 1.00 H new ATOM 0 HE3 TRP A 42 41.433 7.725 -5.462 1.00 1.00 H new ATOM 0 HZ2 TRP A 42 38.557 3.713 -6.031 1.00 1.00 H new ATOM 0 HZ3 TRP A 42 40.277 7.315 -7.616 1.00 1.00 H new ATOM 0 HH2 TRP A 42 38.839 5.314 -7.905 1.00 1.00 H new ATOM 630 N VAL A 43 45.170 7.760 -1.507 1.00 1.00 N ATOM 631 CA VAL A 43 46.030 8.843 -1.042 1.00 1.00 C ATOM 632 C VAL A 43 47.013 9.261 -2.137 1.00 1.00 C ATOM 633 O VAL A 43 47.110 10.437 -2.491 1.00 1.00 O ATOM 634 CB VAL A 43 46.803 8.364 0.175 1.00 1.00 C ATOM 635 CG1 VAL A 43 47.786 9.443 0.621 1.00 1.00 C ATOM 636 CG2 VAL A 43 45.818 8.055 1.302 1.00 1.00 C ATOM 0 H VAL A 43 45.235 6.902 -0.960 1.00 1.00 H new ATOM 0 HA VAL A 43 45.413 9.704 -0.786 1.00 1.00 H new ATOM 0 HB VAL A 43 47.363 7.463 -0.076 1.00 1.00 H new ATOM 0 HG11 VAL A 43 48.338 9.094 1.494 1.00 1.00 H new ATOM 0 HG12 VAL A 43 48.484 9.656 -0.188 1.00 1.00 H new ATOM 0 HG13 VAL A 43 47.239 10.351 0.876 1.00 1.00 H new ATOM 0 HG21 VAL A 43 46.365 7.710 2.179 1.00 1.00 H new ATOM 0 HG22 VAL A 43 45.259 8.956 1.554 1.00 1.00 H new ATOM 0 HG23 VAL A 43 45.126 7.278 0.978 1.00 1.00 H new ATOM 646 N THR A 44 47.752 8.283 -2.648 1.00 1.00 N ATOM 647 CA THR A 44 48.747 8.553 -3.683 1.00 1.00 C ATOM 648 C THR A 44 48.063 9.204 -4.872 1.00 1.00 C ATOM 649 O THR A 44 48.618 10.096 -5.514 1.00 1.00 O ATOM 650 CB THR A 44 49.445 7.264 -4.123 1.00 1.00 C ATOM 651 OG1 THR A 44 49.875 6.545 -2.977 1.00 1.00 O ATOM 652 CG2 THR A 44 50.654 7.612 -4.997 1.00 1.00 C ATOM 0 H THR A 44 47.684 7.305 -2.367 1.00 1.00 H new ATOM 0 HA THR A 44 49.504 9.224 -3.277 1.00 1.00 H new ATOM 0 HB THR A 44 48.750 6.649 -4.695 1.00 1.00 H new ATOM 0 HG1 THR A 44 50.321 5.718 -3.258 1.00 1.00 H new ATOM 0 HG21 THR A 44 51.152 6.695 -5.311 1.00 1.00 H new ATOM 0 HG22 THR A 44 50.321 8.163 -5.876 1.00 1.00 H new ATOM 0 HG23 THR A 44 51.351 8.226 -4.426 1.00 1.00 H new ATOM 660 N ASP A 45 46.847 8.762 -5.149 1.00 1.00 N ATOM 661 CA ASP A 45 46.079 9.315 -6.252 1.00 1.00 C ATOM 662 C ASP A 45 45.572 10.715 -5.898 1.00 1.00 C ATOM 663 O ASP A 45 44.611 11.203 -6.493 1.00 1.00 O ATOM 664 CB ASP A 45 44.890 8.406 -6.559 1.00 1.00 C ATOM 665 CG ASP A 45 45.369 7.123 -7.227 1.00 1.00 C ATOM 666 OD1 ASP A 45 46.509 7.093 -7.662 1.00 1.00 O ATOM 667 OD2 ASP A 45 44.591 6.186 -7.292 1.00 1.00 O ATOM 0 H ASP A 45 46.372 8.025 -4.628 1.00 1.00 H new ATOM 0 HA ASP A 45 46.724 9.382 -7.128 1.00 1.00 H new ATOM 0 HB2 ASP A 45 44.357 8.168 -5.638 1.00 1.00 H new ATOM 0 HB3 ASP A 45 44.186 8.923 -7.211 1.00 1.00 H new ATOM 672 N GLY A 46 46.233 11.366 -4.940 1.00 1.00 N ATOM 673 CA GLY A 46 45.834 12.716 -4.548 1.00 1.00 C ATOM 674 C GLY A 46 44.424 12.718 -3.966 1.00 1.00 C ATOM 675 O GLY A 46 43.574 13.501 -4.391 1.00 1.00 O ATOM 0 H GLY A 46 47.032 10.989 -4.430 1.00 1.00 H new ATOM 0 HA2 GLY A 46 46.536 13.108 -3.812 1.00 1.00 H new ATOM 0 HA3 GLY A 46 45.876 13.378 -5.413 1.00 1.00 H new ATOM 679 N PHE A 47 44.181 11.864 -2.974 1.00 1.00 N ATOM 680 CA PHE A 47 42.871 11.811 -2.336 1.00 1.00 C ATOM 681 C PHE A 47 42.412 13.207 -1.933 1.00 1.00 C ATOM 682 O PHE A 47 41.215 13.457 -1.783 1.00 1.00 O ATOM 683 CB PHE A 47 42.928 10.910 -1.100 1.00 1.00 C ATOM 684 CG PHE A 47 41.587 10.916 -0.407 1.00 1.00 C ATOM 685 CD1 PHE A 47 40.491 10.284 -1.007 1.00 1.00 C ATOM 686 CD2 PHE A 47 41.435 11.553 0.832 1.00 1.00 C ATOM 687 CE1 PHE A 47 39.247 10.286 -0.370 1.00 1.00 C ATOM 688 CE2 PHE A 47 40.189 11.556 1.469 1.00 1.00 C ATOM 689 CZ PHE A 47 39.094 10.923 0.868 1.00 1.00 C ATOM 0 H PHE A 47 44.866 11.207 -2.599 1.00 1.00 H new ATOM 0 HA PHE A 47 42.157 11.401 -3.050 1.00 1.00 H new ATOM 0 HB2 PHE A 47 43.194 9.894 -1.390 1.00 1.00 H new ATOM 0 HB3 PHE A 47 43.703 11.260 -0.418 1.00 1.00 H new ATOM 0 HD1 PHE A 47 40.607 9.795 -1.963 1.00 1.00 H new ATOM 0 HD2 PHE A 47 42.279 12.042 1.295 1.00 1.00 H new ATOM 0 HE1 PHE A 47 38.403 9.796 -0.833 1.00 1.00 H new ATOM 0 HE2 PHE A 47 40.072 12.046 2.424 1.00 1.00 H new ATOM 0 HZ PHE A 47 38.132 10.926 1.359 1.00 1.00 H new ATOM 699 N SER A 48 43.368 14.108 -1.730 1.00 1.00 N ATOM 700 CA SER A 48 43.039 15.466 -1.315 1.00 1.00 C ATOM 701 C SER A 48 41.947 16.044 -2.199 1.00 1.00 C ATOM 702 O SER A 48 41.199 16.924 -1.775 1.00 1.00 O ATOM 703 CB SER A 48 44.274 16.366 -1.381 1.00 1.00 C ATOM 704 OG SER A 48 45.176 16.003 -0.345 1.00 1.00 O ATOM 0 H SER A 48 44.365 13.925 -1.844 1.00 1.00 H new ATOM 0 HA SER A 48 42.683 15.424 -0.286 1.00 1.00 H new ATOM 0 HB2 SER A 48 44.759 16.267 -2.352 1.00 1.00 H new ATOM 0 HB3 SER A 48 43.983 17.411 -1.275 1.00 1.00 H new ATOM 0 HG SER A 48 45.969 16.577 -0.386 1.00 1.00 H new ATOM 710 N SER A 49 41.872 15.575 -3.439 1.00 1.00 N ATOM 711 CA SER A 49 40.883 16.088 -4.372 1.00 1.00 C ATOM 712 C SER A 49 39.491 16.068 -3.759 1.00 1.00 C ATOM 713 O SER A 49 38.582 16.729 -4.260 1.00 1.00 O ATOM 714 CB SER A 49 40.884 15.231 -5.637 1.00 1.00 C ATOM 715 OG SER A 49 42.109 15.415 -6.334 1.00 1.00 O ATOM 0 H SER A 49 42.479 14.847 -3.817 1.00 1.00 H new ATOM 0 HA SER A 49 41.143 17.119 -4.613 1.00 1.00 H new ATOM 0 HB2 SER A 49 40.756 14.180 -5.377 1.00 1.00 H new ATOM 0 HB3 SER A 49 40.045 15.506 -6.276 1.00 1.00 H new ATOM 0 HG SER A 49 42.809 14.873 -5.914 1.00 1.00 H new ATOM 721 N LEU A 50 39.335 15.361 -2.644 1.00 1.00 N ATOM 722 CA LEU A 50 38.056 15.326 -1.949 1.00 1.00 C ATOM 723 C LEU A 50 37.883 16.612 -1.143 1.00 1.00 C ATOM 724 O LEU A 50 36.772 17.098 -0.968 1.00 1.00 O ATOM 725 CB LEU A 50 37.984 14.099 -1.017 1.00 1.00 C ATOM 726 CG LEU A 50 37.394 12.888 -1.764 1.00 1.00 C ATOM 727 CD1 LEU A 50 35.905 13.129 -2.105 1.00 1.00 C ATOM 728 CD2 LEU A 50 38.191 12.636 -3.053 1.00 1.00 C ATOM 0 H LEU A 50 40.073 14.809 -2.206 1.00 1.00 H new ATOM 0 HA LEU A 50 37.252 15.247 -2.681 1.00 1.00 H new ATOM 0 HB2 LEU A 50 38.981 13.856 -0.648 1.00 1.00 H new ATOM 0 HB3 LEU A 50 37.370 14.331 -0.147 1.00 1.00 H new ATOM 0 HG LEU A 50 37.463 12.013 -1.118 1.00 1.00 H new ATOM 0 HD11 LEU A 50 35.508 12.262 -2.632 1.00 1.00 H new ATOM 0 HD12 LEU A 50 35.341 13.284 -1.185 1.00 1.00 H new ATOM 0 HD13 LEU A 50 35.815 14.011 -2.738 1.00 1.00 H new ATOM 0 HD21 LEU A 50 37.771 11.779 -3.579 1.00 1.00 H new ATOM 0 HD22 LEU A 50 38.136 13.517 -3.693 1.00 1.00 H new ATOM 0 HD23 LEU A 50 39.232 12.434 -2.803 1.00 1.00 H new ATOM 740 N LYS A 51 39.001 17.163 -0.670 1.00 1.00 N ATOM 741 CA LYS A 51 38.968 18.397 0.109 1.00 1.00 C ATOM 742 C LYS A 51 38.331 19.509 -0.711 1.00 1.00 C ATOM 743 O LYS A 51 37.455 20.227 -0.235 1.00 1.00 O ATOM 744 CB LYS A 51 40.391 18.795 0.506 1.00 1.00 C ATOM 745 CG LYS A 51 40.346 20.018 1.424 1.00 1.00 C ATOM 746 CD LYS A 51 41.765 20.376 1.865 1.00 1.00 C ATOM 747 CE LYS A 51 41.714 21.593 2.788 1.00 1.00 C ATOM 748 NZ LYS A 51 40.906 21.262 3.994 1.00 1.00 N ATOM 0 H LYS A 51 39.934 16.776 -0.812 1.00 1.00 H new ATOM 0 HA LYS A 51 38.376 18.236 1.010 1.00 1.00 H new ATOM 0 HB2 LYS A 51 40.883 17.965 1.013 1.00 1.00 H new ATOM 0 HB3 LYS A 51 40.979 19.018 -0.385 1.00 1.00 H new ATOM 0 HG2 LYS A 51 39.892 20.861 0.903 1.00 1.00 H new ATOM 0 HG3 LYS A 51 39.725 19.810 2.295 1.00 1.00 H new ATOM 0 HD2 LYS A 51 42.222 19.532 2.382 1.00 1.00 H new ATOM 0 HD3 LYS A 51 42.386 20.591 0.995 1.00 1.00 H new ATOM 0 HE2 LYS A 51 42.723 21.884 3.081 1.00 1.00 H new ATOM 0 HE3 LYS A 51 41.276 22.443 2.265 1.00 1.00 H new ATOM 0 HZ1 LYS A 51 41.161 21.905 4.770 1.00 1.00 H new ATOM 0 HZ2 LYS A 51 39.895 21.368 3.774 1.00 1.00 H new ATOM 0 HZ3 LYS A 51 41.097 20.281 4.281 1.00 1.00 H new ATOM 762 N ASP A 52 38.764 19.626 -1.957 1.00 1.00 N ATOM 763 CA ASP A 52 38.205 20.638 -2.844 1.00 1.00 C ATOM 764 C ASP A 52 36.699 20.451 -2.935 1.00 1.00 C ATOM 765 O ASP A 52 35.930 21.324 -2.532 1.00 1.00 O ATOM 766 CB ASP A 52 38.828 20.539 -4.236 1.00 1.00 C ATOM 767 CG ASP A 52 40.289 20.964 -4.174 1.00 1.00 C ATOM 768 OD1 ASP A 52 40.670 21.560 -3.180 1.00 1.00 O ATOM 769 OD2 ASP A 52 41.006 20.688 -5.121 1.00 1.00 O ATOM 0 H ASP A 52 39.490 19.043 -2.374 1.00 1.00 H new ATOM 0 HA ASP A 52 38.428 21.625 -2.439 1.00 1.00 H new ATOM 0 HB2 ASP A 52 38.752 19.517 -4.608 1.00 1.00 H new ATOM 0 HB3 ASP A 52 38.284 21.174 -4.935 1.00 1.00 H new ATOM 774 N TYR A 53 36.278 19.313 -3.478 1.00 1.00 N ATOM 775 CA TYR A 53 34.857 19.047 -3.623 1.00 1.00 C ATOM 776 C TYR A 53 34.172 19.051 -2.266 1.00 1.00 C ATOM 777 O TYR A 53 33.096 19.622 -2.125 1.00 1.00 O ATOM 778 CB TYR A 53 34.621 17.695 -4.309 1.00 1.00 C ATOM 779 CG TYR A 53 34.926 17.806 -5.788 1.00 1.00 C ATOM 780 CD1 TYR A 53 34.068 18.529 -6.625 1.00 1.00 C ATOM 781 CD2 TYR A 53 36.059 17.179 -6.323 1.00 1.00 C ATOM 782 CE1 TYR A 53 34.342 18.627 -7.995 1.00 1.00 C ATOM 783 CE2 TYR A 53 36.331 17.275 -7.693 1.00 1.00 C ATOM 784 CZ TYR A 53 35.473 17.998 -8.529 1.00 1.00 C ATOM 785 OH TYR A 53 35.740 18.090 -9.879 1.00 1.00 O ATOM 0 H TYR A 53 36.892 18.573 -3.819 1.00 1.00 H new ATOM 0 HA TYR A 53 34.433 19.837 -4.243 1.00 1.00 H new ATOM 0 HB2 TYR A 53 35.253 16.932 -3.855 1.00 1.00 H new ATOM 0 HB3 TYR A 53 33.588 17.380 -4.165 1.00 1.00 H new ATOM 0 HD1 TYR A 53 33.194 19.012 -6.214 1.00 1.00 H new ATOM 0 HD2 TYR A 53 36.723 16.622 -5.679 1.00 1.00 H new ATOM 0 HE1 TYR A 53 33.681 19.188 -8.639 1.00 1.00 H new ATOM 0 HE2 TYR A 53 37.204 16.791 -8.105 1.00 1.00 H new ATOM 0 HH TYR A 53 36.562 17.598 -10.084 1.00 1.00 H new ATOM 795 N TRP A 54 34.788 18.419 -1.268 1.00 1.00 N ATOM 796 CA TRP A 54 34.195 18.381 0.062 1.00 1.00 C ATOM 797 C TRP A 54 34.108 19.793 0.639 1.00 1.00 C ATOM 798 O TRP A 54 33.037 20.254 1.032 1.00 1.00 O ATOM 799 CB TRP A 54 35.044 17.502 0.978 1.00 1.00 C ATOM 800 CG TRP A 54 34.407 17.412 2.320 1.00 1.00 C ATOM 801 CD1 TRP A 54 34.901 17.961 3.450 1.00 1.00 C ATOM 802 CD2 TRP A 54 33.173 16.740 2.692 1.00 1.00 C ATOM 803 NE1 TRP A 54 34.051 17.661 4.498 1.00 1.00 N ATOM 804 CE2 TRP A 54 32.969 16.911 4.079 1.00 1.00 C ATOM 805 CE3 TRP A 54 32.219 16.005 1.966 1.00 1.00 C ATOM 806 CZ2 TRP A 54 31.859 16.369 4.727 1.00 1.00 C ATOM 807 CZ3 TRP A 54 31.100 15.459 2.613 1.00 1.00 C ATOM 808 CH2 TRP A 54 30.921 15.641 3.992 1.00 1.00 C ATOM 0 H TRP A 54 35.682 17.935 -1.354 1.00 1.00 H new ATOM 0 HA TRP A 54 33.190 17.965 -0.009 1.00 1.00 H new ATOM 0 HB2 TRP A 54 35.149 16.506 0.547 1.00 1.00 H new ATOM 0 HB3 TRP A 54 36.048 17.917 1.069 1.00 1.00 H new ATOM 0 HD1 TRP A 54 35.810 18.539 3.523 1.00 1.00 H new ATOM 0 HE1 TRP A 54 34.204 17.957 5.462 1.00 1.00 H new ATOM 0 HE3 TRP A 54 32.348 15.860 0.904 1.00 1.00 H new ATOM 0 HZ2 TRP A 54 31.726 16.511 5.789 1.00 1.00 H new ATOM 0 HZ3 TRP A 54 30.373 14.896 2.046 1.00 1.00 H new ATOM 0 HH2 TRP A 54 30.058 15.218 4.485 1.00 1.00 H new ATOM 819 N SER A 55 35.246 20.471 0.692 1.00 1.00 N ATOM 820 CA SER A 55 35.289 21.829 1.223 1.00 1.00 C ATOM 821 C SER A 55 34.212 22.694 0.571 1.00 1.00 C ATOM 822 O SER A 55 33.626 23.565 1.215 1.00 1.00 O ATOM 823 CB SER A 55 36.668 22.449 0.985 1.00 1.00 C ATOM 824 OG SER A 55 36.699 23.753 1.550 1.00 1.00 O ATOM 0 H SER A 55 36.146 20.108 0.377 1.00 1.00 H new ATOM 0 HA SER A 55 35.100 21.783 2.296 1.00 1.00 H new ATOM 0 HB2 SER A 55 37.442 21.827 1.434 1.00 1.00 H new ATOM 0 HB3 SER A 55 36.878 22.498 -0.083 1.00 1.00 H new ATOM 0 HG SER A 55 37.581 24.153 1.401 1.00 1.00 H new ATOM 830 N THR A 56 33.948 22.439 -0.707 1.00 1.00 N ATOM 831 CA THR A 56 32.925 23.200 -1.425 1.00 1.00 C ATOM 832 C THR A 56 31.520 22.737 -1.023 1.00 1.00 C ATOM 833 O THR A 56 30.827 23.423 -0.272 1.00 1.00 O ATOM 834 CB THR A 56 33.115 23.046 -2.935 1.00 1.00 C ATOM 835 OG1 THR A 56 33.298 21.673 -3.248 1.00 1.00 O ATOM 836 CG2 THR A 56 34.344 23.843 -3.385 1.00 1.00 C ATOM 0 H THR A 56 34.418 21.724 -1.262 1.00 1.00 H new ATOM 0 HA THR A 56 33.031 24.251 -1.158 1.00 1.00 H new ATOM 0 HB THR A 56 32.233 23.424 -3.452 1.00 1.00 H new ATOM 0 HG1 THR A 56 33.240 21.140 -2.428 1.00 1.00 H new ATOM 0 HG21 THR A 56 34.476 23.731 -4.461 1.00 1.00 H new ATOM 0 HG22 THR A 56 34.202 24.897 -3.145 1.00 1.00 H new ATOM 0 HG23 THR A 56 35.229 23.469 -2.870 1.00 1.00 H new ATOM 844 N VAL A 57 31.095 21.582 -1.546 1.00 1.00 N ATOM 845 CA VAL A 57 29.755 21.058 -1.249 1.00 1.00 C ATOM 846 C VAL A 57 29.379 21.305 0.213 1.00 1.00 C ATOM 847 O VAL A 57 28.403 21.999 0.497 1.00 1.00 O ATOM 848 CB VAL A 57 29.685 19.555 -1.567 1.00 1.00 C ATOM 849 CG1 VAL A 57 30.007 19.338 -3.051 1.00 1.00 C ATOM 850 CG2 VAL A 57 30.695 18.785 -0.697 1.00 1.00 C ATOM 0 H VAL A 57 31.651 20.997 -2.170 1.00 1.00 H new ATOM 0 HA VAL A 57 29.040 21.587 -1.879 1.00 1.00 H new ATOM 0 HB VAL A 57 28.682 19.186 -1.352 1.00 1.00 H new ATOM 0 HG11 VAL A 57 29.959 18.274 -3.282 1.00 1.00 H new ATOM 0 HG12 VAL A 57 29.282 19.875 -3.663 1.00 1.00 H new ATOM 0 HG13 VAL A 57 31.009 19.710 -3.264 1.00 1.00 H new ATOM 0 HG21 VAL A 57 30.638 17.721 -0.929 1.00 1.00 H new ATOM 0 HG22 VAL A 57 31.702 19.148 -0.901 1.00 1.00 H new ATOM 0 HG23 VAL A 57 30.460 18.940 0.356 1.00 1.00 H new ATOM 860 N LYS A 58 30.159 20.745 1.134 1.00 1.00 N ATOM 861 CA LYS A 58 29.900 20.926 2.557 1.00 1.00 C ATOM 862 C LYS A 58 29.566 22.380 2.863 1.00 1.00 C ATOM 863 O LYS A 58 28.476 22.691 3.338 1.00 1.00 O ATOM 864 CB LYS A 58 31.140 20.509 3.346 1.00 1.00 C ATOM 865 CG LYS A 58 30.846 20.580 4.843 1.00 1.00 C ATOM 866 CD LYS A 58 32.070 20.102 5.624 1.00 1.00 C ATOM 867 CE LYS A 58 31.765 20.160 7.119 1.00 1.00 C ATOM 868 NZ LYS A 58 32.944 19.670 7.887 1.00 1.00 N ATOM 0 H LYS A 58 30.971 20.165 0.921 1.00 1.00 H new ATOM 0 HA LYS A 58 29.048 20.309 2.843 1.00 1.00 H new ATOM 0 HB2 LYS A 58 31.434 19.496 3.071 1.00 1.00 H new ATOM 0 HB3 LYS A 58 31.977 21.162 3.099 1.00 1.00 H new ATOM 0 HG2 LYS A 58 30.596 21.602 5.128 1.00 1.00 H new ATOM 0 HG3 LYS A 58 29.982 19.961 5.085 1.00 1.00 H new ATOM 0 HD2 LYS A 58 32.328 19.084 5.332 1.00 1.00 H new ATOM 0 HD3 LYS A 58 32.932 20.728 5.392 1.00 1.00 H new ATOM 0 HE2 LYS A 58 31.526 21.182 7.413 1.00 1.00 H new ATOM 0 HE3 LYS A 58 30.891 19.550 7.346 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 32.736 19.710 8.905 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 33.152 18.688 7.614 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 33.768 20.270 7.678 1.00 1.00 H new ATOM 882 N ASP A 59 30.519 23.266 2.603 1.00 1.00 N ATOM 883 CA ASP A 59 30.311 24.681 2.872 1.00 1.00 C ATOM 884 C ASP A 59 29.129 25.199 2.069 1.00 1.00 C ATOM 885 O ASP A 59 28.289 25.929 2.592 1.00 1.00 O ATOM 886 CB ASP A 59 31.564 25.477 2.509 1.00 1.00 C ATOM 887 CG ASP A 59 32.673 25.195 3.517 1.00 1.00 C ATOM 888 OD1 ASP A 59 32.368 24.657 4.568 1.00 1.00 O ATOM 889 OD2 ASP A 59 33.811 25.521 3.222 1.00 1.00 O ATOM 0 H ASP A 59 31.432 23.033 2.211 1.00 1.00 H new ATOM 0 HA ASP A 59 30.104 24.805 3.935 1.00 1.00 H new ATOM 0 HB2 ASP A 59 31.897 25.209 1.506 1.00 1.00 H new ATOM 0 HB3 ASP A 59 31.336 26.543 2.496 1.00 1.00 H new ATOM 894 N LYS A 60 29.073 24.835 0.793 1.00 1.00 N ATOM 895 CA LYS A 60 27.990 25.288 -0.071 1.00 1.00 C ATOM 896 C LYS A 60 26.667 24.680 0.345 1.00 1.00 C ATOM 897 O LYS A 60 25.613 25.078 -0.149 1.00 1.00 O ATOM 898 CB LYS A 60 28.290 24.907 -1.526 1.00 1.00 C ATOM 899 CG LYS A 60 29.503 25.690 -2.038 1.00 1.00 C ATOM 900 CD LYS A 60 29.830 25.240 -3.466 1.00 1.00 C ATOM 901 CE LYS A 60 31.070 25.981 -3.974 1.00 1.00 C ATOM 902 NZ LYS A 60 30.795 27.445 -4.006 1.00 1.00 N ATOM 0 H LYS A 60 29.758 24.233 0.337 1.00 1.00 H new ATOM 0 HA LYS A 60 27.917 26.372 0.021 1.00 1.00 H new ATOM 0 HB2 LYS A 60 28.482 23.836 -1.597 1.00 1.00 H new ATOM 0 HB3 LYS A 60 27.422 25.117 -2.151 1.00 1.00 H new ATOM 0 HG2 LYS A 60 29.294 26.760 -2.020 1.00 1.00 H new ATOM 0 HG3 LYS A 60 30.360 25.522 -1.386 1.00 1.00 H new ATOM 0 HD2 LYS A 60 30.004 24.164 -3.487 1.00 1.00 H new ATOM 0 HD3 LYS A 60 28.983 25.438 -4.122 1.00 1.00 H new ATOM 0 HE2 LYS A 60 31.921 25.774 -3.326 1.00 1.00 H new ATOM 0 HE3 LYS A 60 31.335 25.628 -4.971 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 31.481 27.913 -4.632 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 29.832 27.610 -4.362 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 30.880 27.835 -3.046 1.00 1.00 H new ATOM 916 N PHE A 61 26.715 23.734 1.262 1.00 1.00 N ATOM 917 CA PHE A 61 25.494 23.114 1.731 1.00 1.00 C ATOM 918 C PHE A 61 24.659 24.161 2.456 1.00 1.00 C ATOM 919 O PHE A 61 23.439 24.037 2.559 1.00 1.00 O ATOM 920 CB PHE A 61 25.818 21.971 2.693 1.00 1.00 C ATOM 921 CG PHE A 61 24.570 21.168 2.970 1.00 1.00 C ATOM 922 CD1 PHE A 61 24.153 20.189 2.062 1.00 1.00 C ATOM 923 CD2 PHE A 61 23.835 21.396 4.140 1.00 1.00 C ATOM 924 CE1 PHE A 61 23.003 19.436 2.322 1.00 1.00 C ATOM 925 CE2 PHE A 61 22.682 20.644 4.401 1.00 1.00 C ATOM 926 CZ PHE A 61 22.267 19.664 3.491 1.00 1.00 C ATOM 0 H PHE A 61 27.571 23.383 1.691 1.00 1.00 H new ATOM 0 HA PHE A 61 24.942 22.713 0.881 1.00 1.00 H new ATOM 0 HB2 PHE A 61 26.587 21.329 2.264 1.00 1.00 H new ATOM 0 HB3 PHE A 61 26.219 22.370 3.625 1.00 1.00 H new ATOM 0 HD1 PHE A 61 24.719 20.014 1.159 1.00 1.00 H new ATOM 0 HD2 PHE A 61 24.157 22.152 4.841 1.00 1.00 H new ATOM 0 HE1 PHE A 61 22.683 18.679 1.621 1.00 1.00 H new ATOM 0 HE2 PHE A 61 22.114 20.820 5.303 1.00 1.00 H new ATOM 0 HZ PHE A 61 21.378 19.084 3.691 1.00 1.00 H new ATOM 936 N SER A 62 25.329 25.211 2.936 1.00 1.00 N ATOM 937 CA SER A 62 24.623 26.287 3.629 1.00 1.00 C ATOM 938 C SER A 62 23.782 27.110 2.654 1.00 1.00 C ATOM 939 O SER A 62 22.584 27.311 2.862 1.00 1.00 O ATOM 940 CB SER A 62 25.606 27.200 4.363 1.00 1.00 C ATOM 941 OG SER A 62 24.924 28.371 4.792 1.00 1.00 O ATOM 0 H SER A 62 26.338 25.337 2.860 1.00 1.00 H new ATOM 0 HA SER A 62 23.958 25.826 4.359 1.00 1.00 H new ATOM 0 HB2 SER A 62 26.034 26.680 5.220 1.00 1.00 H new ATOM 0 HB3 SER A 62 26.434 27.467 3.706 1.00 1.00 H new ATOM 0 HG SER A 62 25.549 28.959 5.265 1.00 1.00 H new ATOM 947 N GLU A 63 24.430 27.600 1.596 1.00 1.00 N ATOM 948 CA GLU A 63 23.754 28.421 0.596 1.00 1.00 C ATOM 949 C GLU A 63 22.850 27.588 -0.301 1.00 1.00 C ATOM 950 O GLU A 63 21.842 28.081 -0.807 1.00 1.00 O ATOM 951 CB GLU A 63 24.788 29.148 -0.258 1.00 1.00 C ATOM 952 CG GLU A 63 25.528 30.165 0.609 1.00 1.00 C ATOM 953 CD GLU A 63 26.642 30.823 -0.196 1.00 1.00 C ATOM 954 OE1 GLU A 63 26.764 30.505 -1.368 1.00 1.00 O ATOM 955 OE2 GLU A 63 27.355 31.635 0.370 1.00 1.00 O ATOM 0 H GLU A 63 25.421 27.442 1.411 1.00 1.00 H new ATOM 0 HA GLU A 63 23.131 29.142 1.125 1.00 1.00 H new ATOM 0 HB2 GLU A 63 25.493 28.434 -0.684 1.00 1.00 H new ATOM 0 HB3 GLU A 63 24.300 29.651 -1.093 1.00 1.00 H new ATOM 0 HG2 GLU A 63 24.832 30.923 0.969 1.00 1.00 H new ATOM 0 HG3 GLU A 63 25.945 29.672 1.487 1.00 1.00 H new ATOM 962 N PHE A 64 23.231 26.340 -0.530 1.00 1.00 N ATOM 963 CA PHE A 64 22.462 25.473 -1.406 1.00 1.00 C ATOM 964 C PHE A 64 21.034 25.335 -0.902 1.00 1.00 C ATOM 965 O PHE A 64 20.196 24.712 -1.552 1.00 1.00 O ATOM 966 CB PHE A 64 23.126 24.094 -1.457 1.00 1.00 C ATOM 967 CG PHE A 64 22.310 23.161 -2.321 1.00 1.00 C ATOM 968 CD1 PHE A 64 22.387 23.254 -3.715 1.00 1.00 C ATOM 969 CD2 PHE A 64 21.483 22.199 -1.727 1.00 1.00 C ATOM 970 CE1 PHE A 64 21.635 22.386 -4.516 1.00 1.00 C ATOM 971 CE2 PHE A 64 20.732 21.332 -2.528 1.00 1.00 C ATOM 972 CZ PHE A 64 20.808 21.425 -3.922 1.00 1.00 C ATOM 0 H PHE A 64 24.062 25.909 -0.124 1.00 1.00 H new ATOM 0 HA PHE A 64 22.436 25.910 -2.404 1.00 1.00 H new ATOM 0 HB2 PHE A 64 24.137 24.182 -1.856 1.00 1.00 H new ATOM 0 HB3 PHE A 64 23.215 23.686 -0.450 1.00 1.00 H new ATOM 0 HD1 PHE A 64 23.026 23.995 -4.173 1.00 1.00 H new ATOM 0 HD2 PHE A 64 21.425 22.127 -0.651 1.00 1.00 H new ATOM 0 HE1 PHE A 64 21.693 22.458 -5.592 1.00 1.00 H new ATOM 0 HE2 PHE A 64 20.094 20.591 -2.070 1.00 1.00 H new ATOM 0 HZ PHE A 64 20.229 20.755 -4.540 1.00 1.00 H new ATOM 982 N TRP A 65 20.754 25.935 0.250 1.00 1.00 N ATOM 983 CA TRP A 65 19.411 25.880 0.809 1.00 1.00 C ATOM 984 C TRP A 65 18.504 26.901 0.114 1.00 1.00 C ATOM 985 O TRP A 65 17.427 26.561 -0.371 1.00 1.00 O ATOM 986 CB TRP A 65 19.479 26.172 2.309 1.00 1.00 C ATOM 987 CG TRP A 65 18.144 25.932 2.927 1.00 1.00 C ATOM 988 CD1 TRP A 65 17.680 24.726 3.321 1.00 1.00 C ATOM 989 CD2 TRP A 65 17.099 26.897 3.236 1.00 1.00 C ATOM 990 NE1 TRP A 65 16.411 24.887 3.846 1.00 1.00 N ATOM 991 CE2 TRP A 65 16.009 26.207 3.815 1.00 1.00 C ATOM 992 CE3 TRP A 65 16.992 28.289 3.068 1.00 1.00 C ATOM 993 CZ2 TRP A 65 14.852 26.875 4.216 1.00 1.00 C ATOM 994 CZ3 TRP A 65 15.829 28.964 3.471 1.00 1.00 C ATOM 995 CH2 TRP A 65 14.761 28.258 4.043 1.00 1.00 C ATOM 0 H TRP A 65 21.430 26.458 0.807 1.00 1.00 H new ATOM 0 HA TRP A 65 18.994 24.885 0.650 1.00 1.00 H new ATOM 0 HB2 TRP A 65 20.228 25.536 2.780 1.00 1.00 H new ATOM 0 HB3 TRP A 65 19.787 27.204 2.475 1.00 1.00 H new ATOM 0 HD1 TRP A 65 18.213 23.790 3.239 1.00 1.00 H new ATOM 0 HE1 TRP A 65 15.842 24.124 4.211 1.00 1.00 H new ATOM 0 HE3 TRP A 65 17.808 28.841 2.627 1.00 1.00 H new ATOM 0 HZ2 TRP A 65 14.033 26.327 4.657 1.00 1.00 H new ATOM 0 HZ3 TRP A 65 15.756 30.034 3.340 1.00 1.00 H new ATOM 0 HH2 TRP A 65 13.869 28.783 4.350 1.00 1.00 H new ATOM 1006 N ASP A 66 18.968 28.150 0.054 1.00 1.00 N ATOM 1007 CA ASP A 66 18.217 29.226 -0.602 1.00 1.00 C ATOM 1008 C ASP A 66 18.548 29.284 -2.087 1.00 1.00 C ATOM 1009 O ASP A 66 19.670 29.599 -2.481 1.00 1.00 O ATOM 1010 CB ASP A 66 18.544 30.571 0.057 1.00 1.00 C ATOM 1011 CG ASP A 66 20.055 30.786 0.090 1.00 1.00 C ATOM 1012 OD1 ASP A 66 20.764 29.834 0.366 1.00 1.00 O ATOM 1013 OD2 ASP A 66 20.477 31.903 -0.162 1.00 1.00 O ATOM 0 H ASP A 66 19.860 28.443 0.451 1.00 1.00 H new ATOM 0 HA ASP A 66 17.152 29.020 -0.491 1.00 1.00 H new ATOM 0 HB2 ASP A 66 18.066 31.381 -0.494 1.00 1.00 H new ATOM 0 HB3 ASP A 66 18.143 30.595 1.070 1.00 1.00 H new ATOM 1018 N LEU A 67 17.549 28.986 -2.897 1.00 1.00 N ATOM 1019 CA LEU A 67 17.685 29.002 -4.348 1.00 1.00 C ATOM 1020 C LEU A 67 17.323 30.378 -4.885 1.00 1.00 C ATOM 1021 O LEU A 67 17.150 31.327 -4.123 1.00 1.00 O ATOM 1022 CB LEU A 67 16.797 27.925 -4.980 1.00 1.00 C ATOM 1023 CG LEU A 67 17.482 26.558 -4.857 1.00 1.00 C ATOM 1024 CD1 LEU A 67 17.655 26.201 -3.377 1.00 1.00 C ATOM 1025 CD2 LEU A 67 16.629 25.490 -5.547 1.00 1.00 C ATOM 0 H LEU A 67 16.618 28.725 -2.571 1.00 1.00 H new ATOM 0 HA LEU A 67 18.721 28.785 -4.610 1.00 1.00 H new ATOM 0 HB2 LEU A 67 15.826 27.903 -4.485 1.00 1.00 H new ATOM 0 HB3 LEU A 67 16.615 28.159 -6.029 1.00 1.00 H new ATOM 0 HG LEU A 67 18.461 26.601 -5.335 1.00 1.00 H new ATOM 0 HD11 LEU A 67 18.142 25.229 -3.292 1.00 1.00 H new ATOM 0 HD12 LEU A 67 18.269 26.958 -2.889 1.00 1.00 H new ATOM 0 HD13 LEU A 67 16.678 26.161 -2.896 1.00 1.00 H new ATOM 0 HD21 LEU A 67 17.118 24.520 -5.458 1.00 1.00 H new ATOM 0 HD22 LEU A 67 15.648 25.446 -5.074 1.00 1.00 H new ATOM 0 HD23 LEU A 67 16.513 25.742 -6.601 1.00 1.00 H new ATOM 1037 N ASP A 68 17.248 30.489 -6.197 1.00 1.00 N ATOM 1038 CA ASP A 68 16.948 31.766 -6.830 1.00 1.00 C ATOM 1039 C ASP A 68 15.618 32.311 -6.291 1.00 1.00 C ATOM 1040 O ASP A 68 14.866 31.589 -5.635 1.00 1.00 O ATOM 1041 CB ASP A 68 16.874 31.558 -8.372 1.00 1.00 C ATOM 1042 CG ASP A 68 16.907 30.069 -8.727 1.00 1.00 C ATOM 1043 OD1 ASP A 68 17.995 29.547 -8.908 1.00 1.00 O ATOM 1044 OD2 ASP A 68 15.845 29.476 -8.814 1.00 1.00 O ATOM 0 H ASP A 68 17.390 29.715 -6.847 1.00 1.00 H new ATOM 0 HA ASP A 68 17.731 32.490 -6.604 1.00 1.00 H new ATOM 0 HB2 ASP A 68 15.960 32.008 -8.760 1.00 1.00 H new ATOM 0 HB3 ASP A 68 17.709 32.069 -8.852 1.00 1.00 H new ATOM 1049 N PRO A 69 15.328 33.573 -6.525 1.00 1.00 N ATOM 1050 CA PRO A 69 14.082 34.208 -6.014 1.00 1.00 C ATOM 1051 C PRO A 69 12.858 33.327 -6.259 1.00 1.00 C ATOM 1052 O PRO A 69 11.795 33.559 -5.685 1.00 1.00 O ATOM 1053 CB PRO A 69 13.979 35.541 -6.803 1.00 1.00 C ATOM 1054 CG PRO A 69 15.161 35.581 -7.743 1.00 1.00 C ATOM 1055 CD PRO A 69 16.163 34.537 -7.256 1.00 1.00 C ATOM 0 HA PRO A 69 14.115 34.362 -4.935 1.00 1.00 H new ATOM 0 HB2 PRO A 69 13.042 35.591 -7.357 1.00 1.00 H new ATOM 0 HB3 PRO A 69 13.995 36.394 -6.125 1.00 1.00 H new ATOM 0 HG2 PRO A 69 14.847 35.366 -8.764 1.00 1.00 H new ATOM 0 HG3 PRO A 69 15.613 36.573 -7.751 1.00 1.00 H new ATOM 0 HD2 PRO A 69 16.686 34.065 -8.087 1.00 1.00 H new ATOM 0 HD3 PRO A 69 16.922 34.980 -6.611 1.00 1.00 H new ATOM 1063 N GLU A 70 13.022 32.298 -7.085 1.00 1.00 N ATOM 1064 CA GLU A 70 11.926 31.367 -7.367 1.00 1.00 C ATOM 1065 C GLU A 70 12.389 29.940 -7.106 1.00 1.00 C ATOM 1066 O GLU A 70 13.177 29.383 -7.870 1.00 1.00 O ATOM 1067 CB GLU A 70 11.489 31.508 -8.831 1.00 1.00 C ATOM 1068 CG GLU A 70 10.201 30.714 -9.077 1.00 1.00 C ATOM 1069 CD GLU A 70 9.028 31.391 -8.373 1.00 1.00 C ATOM 1070 OE1 GLU A 70 9.218 32.484 -7.868 1.00 1.00 O ATOM 1071 OE2 GLU A 70 7.958 30.805 -8.351 1.00 1.00 O ATOM 0 H GLU A 70 13.894 32.086 -7.569 1.00 1.00 H new ATOM 0 HA GLU A 70 11.082 31.598 -6.717 1.00 1.00 H new ATOM 0 HB2 GLU A 70 11.328 32.559 -9.071 1.00 1.00 H new ATOM 0 HB3 GLU A 70 12.279 31.148 -9.490 1.00 1.00 H new ATOM 0 HG2 GLU A 70 10.004 30.647 -10.147 1.00 1.00 H new ATOM 0 HG3 GLU A 70 10.317 29.694 -8.710 1.00 1.00 H new ATOM 1078 N VAL A 71 11.867 29.341 -6.036 1.00 1.00 N ATOM 1079 CA VAL A 71 12.210 27.965 -5.706 1.00 1.00 C ATOM 1080 C VAL A 71 11.123 27.045 -6.249 1.00 1.00 C ATOM 1081 O VAL A 71 10.144 26.760 -5.560 1.00 1.00 O ATOM 1082 CB VAL A 71 12.272 27.816 -4.184 1.00 1.00 C ATOM 1083 CG1 VAL A 71 12.948 26.491 -3.828 1.00 1.00 C ATOM 1084 CG2 VAL A 71 13.058 28.987 -3.583 1.00 1.00 C ATOM 0 H VAL A 71 11.212 29.784 -5.391 1.00 1.00 H new ATOM 0 HA VAL A 71 13.174 27.706 -6.143 1.00 1.00 H new ATOM 0 HB VAL A 71 11.261 27.822 -3.775 1.00 1.00 H new ATOM 0 HG11 VAL A 71 12.992 26.385 -2.744 1.00 1.00 H new ATOM 0 HG12 VAL A 71 12.375 25.665 -4.250 1.00 1.00 H new ATOM 0 HG13 VAL A 71 13.959 26.477 -4.235 1.00 1.00 H new ATOM 0 HG21 VAL A 71 13.101 28.879 -2.499 1.00 1.00 H new ATOM 0 HG22 VAL A 71 14.070 28.991 -3.987 1.00 1.00 H new ATOM 0 HG23 VAL A 71 12.563 29.925 -3.835 1.00 1.00 H new ATOM 1094 N ARG A 72 11.303 26.576 -7.487 1.00 1.00 N ATOM 1095 CA ARG A 72 10.322 25.678 -8.112 1.00 1.00 C ATOM 1096 C ARG A 72 10.996 24.409 -8.640 1.00 1.00 C ATOM 1097 O ARG A 72 12.176 24.452 -8.993 1.00 1.00 O ATOM 1098 CB ARG A 72 9.605 26.410 -9.253 1.00 1.00 C ATOM 1099 CG ARG A 72 8.617 27.456 -8.678 1.00 1.00 C ATOM 1100 CD ARG A 72 7.222 26.834 -8.486 1.00 1.00 C ATOM 1101 NE ARG A 72 7.254 25.761 -7.492 1.00 1.00 N ATOM 1102 CZ ARG A 72 6.339 24.788 -7.491 1.00 1.00 C ATOM 1103 NH1 ARG A 72 5.430 24.737 -8.428 1.00 1.00 N ATOM 1104 NH2 ARG A 72 6.352 23.881 -6.552 1.00 1.00 N ATOM 0 H ARG A 72 12.108 26.799 -8.072 1.00 1.00 H new ATOM 0 HA ARG A 72 9.593 25.383 -7.357 1.00 1.00 H new ATOM 0 HB2 ARG A 72 10.335 26.903 -9.895 1.00 1.00 H new ATOM 0 HB3 ARG A 72 9.067 25.693 -9.874 1.00 1.00 H new ATOM 0 HG2 ARG A 72 8.989 27.830 -7.724 1.00 1.00 H new ATOM 0 HG3 ARG A 72 8.551 28.311 -9.351 1.00 1.00 H new ATOM 0 HD2 ARG A 72 6.518 27.604 -8.171 1.00 1.00 H new ATOM 0 HD3 ARG A 72 6.862 26.442 -9.437 1.00 1.00 H new ATOM 0 HE ARG A 72 7.990 25.756 -6.786 1.00 1.00 H new ATOM 0 HH11 ARG A 72 5.417 25.442 -9.165 1.00 1.00 H new ATOM 0 HH12 ARG A 72 4.733 23.992 -8.423 1.00 1.00 H new ATOM 0 HH21 ARG A 72 7.061 23.916 -5.819 1.00 1.00 H new ATOM 0 HH22 ARG A 72 5.653 23.138 -6.551 1.00 1.00 H new ATOM 1118 N PRO A 73 10.293 23.295 -8.747 1.00 1.00 N ATOM 1119 CA PRO A 73 10.901 22.058 -9.301 1.00 1.00 C ATOM 1120 C PRO A 73 11.059 22.151 -10.824 1.00 1.00 C ATOM 1121 O PRO A 73 11.796 21.372 -11.426 1.00 1.00 O ATOM 1122 CB PRO A 73 9.924 20.919 -8.914 1.00 1.00 C ATOM 1123 CG PRO A 73 8.786 21.560 -8.159 1.00 1.00 C ATOM 1124 CD PRO A 73 8.883 23.074 -8.375 1.00 1.00 C ATOM 0 HA PRO A 73 11.902 21.889 -8.905 1.00 1.00 H new ATOM 0 HB2 PRO A 73 9.558 20.405 -9.803 1.00 1.00 H new ATOM 0 HB3 PRO A 73 10.425 20.172 -8.298 1.00 1.00 H new ATOM 0 HG2 PRO A 73 7.828 21.183 -8.517 1.00 1.00 H new ATOM 0 HG3 PRO A 73 8.847 21.320 -7.098 1.00 1.00 H new ATOM 0 HD2 PRO A 73 8.206 23.409 -9.161 1.00 1.00 H new ATOM 0 HD3 PRO A 73 8.618 23.623 -7.471 1.00 1.00 H new ATOM 1132 N THR A 74 10.337 23.094 -11.439 1.00 1.00 N ATOM 1133 CA THR A 74 10.384 23.254 -12.896 1.00 1.00 C ATOM 1134 C THR A 74 11.577 24.075 -13.343 1.00 1.00 C ATOM 1135 O THR A 74 12.461 23.577 -14.037 1.00 1.00 O ATOM 1136 CB THR A 74 9.096 23.910 -13.396 1.00 1.00 C ATOM 1137 OG1 THR A 74 8.996 25.226 -12.874 1.00 1.00 O ATOM 1138 CG2 THR A 74 7.900 23.082 -12.933 1.00 1.00 C ATOM 0 H THR A 74 9.721 23.750 -10.958 1.00 1.00 H new ATOM 0 HA THR A 74 10.485 22.257 -13.326 1.00 1.00 H new ATOM 0 HB THR A 74 9.109 23.958 -14.485 1.00 1.00 H new ATOM 0 HG1 THR A 74 8.171 25.644 -13.197 1.00 1.00 H new ATOM 0 HG21 THR A 74 6.978 23.545 -13.286 1.00 1.00 H new ATOM 0 HG22 THR A 74 7.978 22.073 -13.337 1.00 1.00 H new ATOM 0 HG23 THR A 74 7.889 23.036 -11.844 1.00 1.00 H new ATOM 1146 N SER A 75 11.577 25.342 -12.977 1.00 1.00 N ATOM 1147 CA SER A 75 12.650 26.231 -13.383 1.00 1.00 C ATOM 1148 C SER A 75 13.986 25.704 -12.889 1.00 1.00 C ATOM 1149 O SER A 75 14.993 25.786 -13.591 1.00 1.00 O ATOM 1150 CB SER A 75 12.401 27.627 -12.813 1.00 1.00 C ATOM 1151 OG SER A 75 11.195 28.144 -13.355 1.00 1.00 O ATOM 0 H SER A 75 10.853 25.777 -12.404 1.00 1.00 H new ATOM 0 HA SER A 75 12.675 26.282 -14.472 1.00 1.00 H new ATOM 0 HB2 SER A 75 12.336 27.583 -11.726 1.00 1.00 H new ATOM 0 HB3 SER A 75 13.235 28.286 -13.056 1.00 1.00 H new ATOM 0 HG SER A 75 11.030 29.039 -12.991 1.00 1.00 H new ATOM 1157 N ALA A 76 13.992 25.159 -11.680 1.00 1.00 N ATOM 1158 CA ALA A 76 15.221 24.618 -11.113 1.00 1.00 C ATOM 1159 C ALA A 76 15.833 23.589 -12.058 1.00 1.00 C ATOM 1160 O ALA A 76 16.950 23.766 -12.545 1.00 1.00 O ATOM 1161 CB ALA A 76 14.928 23.968 -9.761 1.00 1.00 C ATOM 0 H ALA A 76 13.172 25.080 -11.079 1.00 1.00 H new ATOM 0 HA ALA A 76 15.930 25.434 -10.974 1.00 1.00 H new ATOM 0 HB1 ALA A 76 15.851 23.566 -9.343 1.00 1.00 H new ATOM 0 HB2 ALA A 76 14.516 24.713 -9.081 1.00 1.00 H new ATOM 0 HB3 ALA A 76 14.208 23.161 -9.894 1.00 1.00 H new ATOM 1167 N VAL A 77 15.104 22.501 -12.292 1.00 1.00 N ATOM 1168 CA VAL A 77 15.603 21.438 -13.159 1.00 1.00 C ATOM 1169 C VAL A 77 15.857 21.986 -14.559 1.00 1.00 C ATOM 1170 O VAL A 77 16.928 21.777 -15.129 1.00 1.00 O ATOM 1171 CB VAL A 77 14.584 20.294 -13.228 1.00 1.00 C ATOM 1172 CG1 VAL A 77 15.021 19.272 -14.284 1.00 1.00 C ATOM 1173 CG2 VAL A 77 14.496 19.607 -11.863 1.00 1.00 C ATOM 0 H VAL A 77 14.178 22.333 -11.899 1.00 1.00 H new ATOM 0 HA VAL A 77 16.538 21.058 -12.748 1.00 1.00 H new ATOM 0 HB VAL A 77 13.609 20.698 -13.499 1.00 1.00 H new ATOM 0 HG11 VAL A 77 14.294 18.461 -14.329 1.00 1.00 H new ATOM 0 HG12 VAL A 77 15.083 19.758 -15.257 1.00 1.00 H new ATOM 0 HG13 VAL A 77 15.998 18.868 -14.017 1.00 1.00 H new ATOM 0 HG21 VAL A 77 13.772 18.794 -11.911 1.00 1.00 H new ATOM 0 HG22 VAL A 77 15.473 19.207 -11.593 1.00 1.00 H new ATOM 0 HG23 VAL A 77 14.180 20.330 -11.111 1.00 1.00 H new ATOM 1183 N ALA A 78 14.881 22.702 -15.102 1.00 1.00 N ATOM 1184 CA ALA A 78 15.028 23.288 -16.428 1.00 1.00 C ATOM 1185 C ALA A 78 16.074 24.400 -16.404 1.00 1.00 C ATOM 1186 O ALA A 78 16.475 24.916 -17.449 1.00 1.00 O ATOM 1187 CB ALA A 78 13.686 23.848 -16.899 1.00 1.00 C ATOM 0 H ALA A 78 13.986 22.890 -14.650 1.00 1.00 H new ATOM 0 HA ALA A 78 15.357 22.512 -17.120 1.00 1.00 H new ATOM 0 HB1 ALA A 78 13.802 24.285 -17.891 1.00 1.00 H new ATOM 0 HB2 ALA A 78 12.951 23.044 -16.940 1.00 1.00 H new ATOM 0 HB3 ALA A 78 13.347 24.615 -16.202 1.00 1.00 H new ATOM 1193 N ALA A 79 16.506 24.766 -15.201 1.00 1.00 N ATOM 1194 CA ALA A 79 17.502 25.822 -15.044 1.00 1.00 C ATOM 1195 C ALA A 79 17.876 25.996 -13.576 1.00 1.00 C ATOM 1196 O ALA A 79 17.287 26.847 -12.930 1.00 1.00 O ATOM 1197 CB ALA A 79 16.947 27.141 -15.588 1.00 1.00 C ATOM 1198 OXT ALA A 79 18.749 25.275 -13.118 1.00 1.00 O ATOM 0 H ALA A 79 16.185 24.351 -14.326 1.00 1.00 H new ATOM 0 HA ALA A 79 18.395 25.540 -15.602 1.00 1.00 H new ATOM 0 HB1 ALA A 79 17.693 27.926 -15.469 1.00 1.00 H new ATOM 0 HB2 ALA A 79 16.706 27.026 -16.645 1.00 1.00 H new ATOM 0 HB3 ALA A 79 16.045 27.411 -15.038 1.00 1.00 H new