USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 523 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 60 ASN : amide:sc= -5.88! C(o=-8!,f=-14!) USER MOD Set 1.2: A 62 THR OG1 : rot -101:sc= -2.12! USER MOD Set 2.1: A 21 LYS NZ :NH3+ 180:sc= -0.0621 (180deg=0) USER MOD Set 2.2: A 30 LYS NZ :NH3+ -126:sc= -0.892 (180deg=-0.725) USER MOD Single : A 5 THR OG1 : rot -16:sc= -2.29! USER MOD Single : A 8 GLN : amide:sc= 0.427 K(o=0.43,f=-0.96) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 56:sc= -2.12! USER MOD Single : A 28 THR OG1 : rot 180:sc=0.000471 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0994 USER MOD Single : A 34 THR OG1 : rot 79:sc= 0.213 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -45:sc= 0.826 USER MOD Single : A 41 GLN :FLIP amide:sc= -1.31 F(o=-2.2,f=-1.3) USER MOD Single : A 42 ASN : amide:sc= -0.0309 K(o=-0.031,f=-2.2!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN :FLIP amide:sc= -0.227 F(o=-1.2,f=-0.23) USER MOD Single : A 51 MET CE :methyl 159:sc= -0.38 (180deg=-0.988) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot -41:sc= 0.0164 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl -150:sc= -0.311 (180deg=-1.51!) USER MOD Single : A 75 LYS NZ :NH3+ -170:sc=-0.000729 (180deg=-0.132) USER MOD ----------------------------------------------------------------- ATOM 59 N THR A 5 47.479 14.100 13.802 1.00 0.03 N ATOM 60 CA THR A 5 48.938 13.929 14.068 1.00 0.00 C ATOM 61 C THR A 5 49.709 14.053 12.749 1.00 0.01 C ATOM 62 O THR A 5 49.360 13.442 11.758 1.00 0.00 O ATOM 63 CB THR A 5 49.201 12.545 14.685 1.00 0.01 C ATOM 64 OG1 THR A 5 49.509 11.619 13.654 1.00 0.00 O ATOM 65 CG2 THR A 5 47.961 12.069 15.446 1.00 0.02 C ATOM 0 HA THR A 5 49.269 14.699 14.765 1.00 0.00 H new ATOM 0 HB THR A 5 50.040 12.615 15.377 1.00 0.01 H new ATOM 0 HG1 THR A 5 49.240 11.992 12.788 1.00 0.00 H new ATOM 0 HG21 THR A 5 48.155 11.088 15.880 1.00 0.02 H new ATOM 0 HG22 THR A 5 47.727 12.778 16.240 1.00 0.02 H new ATOM 0 HG23 THR A 5 47.117 12.002 14.760 1.00 0.02 H new ATOM 73 N GLU A 6 50.754 14.832 12.727 1.00 0.02 N ATOM 74 CA GLU A 6 51.535 14.978 11.466 1.00 0.03 C ATOM 75 C GLU A 6 52.101 13.614 11.066 1.00 0.02 C ATOM 76 O GLU A 6 52.257 13.317 9.898 1.00 0.00 O ATOM 77 CB GLU A 6 52.679 15.973 11.679 1.00 0.02 C ATOM 78 CG GLU A 6 53.373 16.259 10.343 1.00 0.03 C ATOM 79 CD GLU A 6 52.417 17.018 9.420 1.00 0.01 C ATOM 80 OE1 GLU A 6 51.527 17.676 9.933 1.00 0.01 O ATOM 81 OE2 GLU A 6 52.591 16.927 8.216 1.00 0.01 O ATOM 0 H GLU A 6 51.100 15.371 13.521 1.00 0.02 H new ATOM 0 HA GLU A 6 50.886 15.350 10.674 1.00 0.03 H new ATOM 0 HB2 GLU A 6 52.293 16.899 12.105 1.00 0.02 H new ATOM 0 HB3 GLU A 6 53.397 15.569 12.393 1.00 0.02 H new ATOM 0 HG2 GLU A 6 54.276 16.846 10.509 1.00 0.03 H new ATOM 0 HG3 GLU A 6 53.682 15.324 9.875 1.00 0.03 H new ATOM 88 N GLU A 7 52.404 12.778 12.020 1.00 0.00 N ATOM 89 CA GLU A 7 52.952 11.434 11.679 1.00 0.03 C ATOM 90 C GLU A 7 51.828 10.556 11.123 1.00 0.02 C ATOM 91 O GLU A 7 51.920 10.052 10.021 1.00 0.02 O ATOM 92 CB GLU A 7 53.531 10.784 12.936 1.00 0.02 C ATOM 93 CG GLU A 7 54.728 11.599 13.426 1.00 0.02 C ATOM 94 CD GLU A 7 55.343 10.918 14.650 1.00 0.02 C ATOM 95 OE1 GLU A 7 54.737 9.985 15.150 1.00 0.02 O ATOM 96 OE2 GLU A 7 56.408 11.342 15.066 1.00 0.02 O ATOM 0 H GLU A 7 52.297 12.965 13.017 1.00 0.00 H new ATOM 0 HA GLU A 7 53.738 11.540 10.931 1.00 0.03 H new ATOM 0 HB2 GLU A 7 52.770 10.731 13.715 1.00 0.02 H new ATOM 0 HB3 GLU A 7 53.838 9.761 12.721 1.00 0.02 H new ATOM 0 HG2 GLU A 7 55.471 11.686 12.633 1.00 0.02 H new ATOM 0 HG3 GLU A 7 54.413 12.611 13.680 1.00 0.02 H new ATOM 103 N GLN A 8 50.772 10.353 11.865 1.00 0.02 N ATOM 104 CA GLN A 8 49.668 9.492 11.348 1.00 0.02 C ATOM 105 C GLN A 8 49.302 9.931 9.929 1.00 0.02 C ATOM 106 O GLN A 8 49.125 9.116 9.043 1.00 0.02 O ATOM 107 CB GLN A 8 48.439 9.613 12.255 1.00 0.02 C ATOM 108 CG GLN A 8 47.390 8.576 11.843 1.00 0.02 C ATOM 109 CD GLN A 8 47.897 7.172 12.175 1.00 0.02 C ATOM 110 OE1 GLN A 8 48.222 6.882 13.310 1.00 0.01 O ATOM 111 NE2 GLN A 8 47.980 6.281 11.225 1.00 0.02 N ATOM 0 H GLN A 8 50.626 10.741 12.797 1.00 0.02 H new ATOM 0 HA GLN A 8 50.000 8.454 11.336 1.00 0.02 H new ATOM 0 HB2 GLN A 8 48.726 9.460 13.295 1.00 0.02 H new ATOM 0 HB3 GLN A 8 48.020 10.617 12.184 1.00 0.02 H new ATOM 0 HG2 GLN A 8 46.452 8.767 12.363 1.00 0.02 H new ATOM 0 HG3 GLN A 8 47.185 8.656 10.776 1.00 0.02 H new ATOM 0 HE21 GLN A 8 47.707 6.524 10.273 1.00 0.02 H new ATOM 0 HE22 GLN A 8 48.317 5.342 11.435 1.00 0.02 H new ATOM 120 N ILE A 9 49.202 11.213 9.699 1.00 0.02 N ATOM 121 CA ILE A 9 48.863 11.696 8.334 1.00 0.02 C ATOM 122 C ILE A 9 49.958 11.249 7.366 1.00 0.02 C ATOM 123 O ILE A 9 49.692 10.696 6.319 1.00 0.01 O ATOM 124 CB ILE A 9 48.773 13.224 8.335 1.00 0.03 C ATOM 125 CG1 ILE A 9 47.570 13.660 9.177 1.00 0.03 C ATOM 126 CG2 ILE A 9 48.599 13.726 6.898 1.00 0.02 C ATOM 127 CD1 ILE A 9 47.609 15.177 9.389 1.00 0.01 C ATOM 0 H ILE A 9 49.341 11.943 10.397 1.00 0.02 H new ATOM 0 HA ILE A 9 47.903 11.283 8.025 1.00 0.02 H new ATOM 0 HB ILE A 9 49.686 13.643 8.758 1.00 0.03 H new ATOM 0 HG12 ILE A 9 46.643 13.377 8.678 1.00 0.03 H new ATOM 0 HG13 ILE A 9 47.583 13.148 10.139 1.00 0.03 H new ATOM 0 HG21 ILE A 9 48.535 14.814 6.898 1.00 0.02 H new ATOM 0 HG22 ILE A 9 49.453 13.413 6.297 1.00 0.02 H new ATOM 0 HG23 ILE A 9 47.685 13.309 6.475 1.00 0.02 H new ATOM 0 HD11 ILE A 9 46.751 15.483 9.988 1.00 0.01 H new ATOM 0 HD12 ILE A 9 48.529 15.448 9.907 1.00 0.01 H new ATOM 0 HD13 ILE A 9 47.574 15.680 8.423 1.00 0.01 H new ATOM 139 N ALA A 10 51.193 11.495 7.714 1.00 0.00 N ATOM 140 CA ALA A 10 52.315 11.097 6.821 1.00 0.02 C ATOM 141 C ALA A 10 52.188 9.616 6.466 1.00 0.00 C ATOM 142 O ALA A 10 52.083 9.244 5.316 1.00 0.02 O ATOM 143 CB ALA A 10 53.647 11.341 7.534 1.00 0.02 C ATOM 0 H ALA A 10 51.472 11.955 8.580 1.00 0.00 H new ATOM 0 HA ALA A 10 52.278 11.691 5.908 1.00 0.02 H new ATOM 0 HB1 ALA A 10 54.469 11.049 6.880 1.00 0.02 H new ATOM 0 HB2 ALA A 10 53.738 12.398 7.782 1.00 0.02 H new ATOM 0 HB3 ALA A 10 53.684 10.749 8.449 1.00 0.02 H new ATOM 149 N GLU A 11 52.169 8.771 7.463 1.00 0.03 N ATOM 150 CA GLU A 11 52.026 7.308 7.212 1.00 0.00 C ATOM 151 C GLU A 11 50.905 7.069 6.202 1.00 0.02 C ATOM 152 O GLU A 11 51.062 6.328 5.251 1.00 0.02 O ATOM 153 CB GLU A 11 51.690 6.592 8.521 1.00 0.02 C ATOM 154 CG GLU A 11 52.921 6.580 9.428 1.00 0.02 C ATOM 155 CD GLU A 11 52.608 5.792 10.701 1.00 0.03 C ATOM 156 OE1 GLU A 11 51.461 5.413 10.871 1.00 0.03 O ATOM 157 OE2 GLU A 11 53.520 5.581 11.483 1.00 0.02 O ATOM 0 H GLU A 11 52.247 9.034 8.446 1.00 0.03 H new ATOM 0 HA GLU A 11 52.963 6.918 6.815 1.00 0.00 H new ATOM 0 HB2 GLU A 11 50.862 7.095 9.021 1.00 0.02 H new ATOM 0 HB3 GLU A 11 51.366 5.572 8.317 1.00 0.02 H new ATOM 0 HG2 GLU A 11 53.766 6.129 8.907 1.00 0.02 H new ATOM 0 HG3 GLU A 11 53.210 7.600 9.681 1.00 0.02 H new ATOM 164 N PHE A 12 49.781 7.700 6.385 1.00 0.00 N ATOM 165 CA PHE A 12 48.666 7.516 5.419 1.00 0.02 C ATOM 166 C PHE A 12 49.089 8.125 4.081 1.00 0.02 C ATOM 167 O PHE A 12 48.776 7.605 3.029 1.00 0.02 O ATOM 168 CB PHE A 12 47.403 8.210 5.946 1.00 0.01 C ATOM 169 CG PHE A 12 46.696 7.361 6.995 1.00 0.02 C ATOM 170 CD1 PHE A 12 47.385 6.386 7.748 1.00 0.02 C ATOM 171 CD2 PHE A 12 45.329 7.567 7.222 1.00 0.02 C ATOM 172 CE1 PHE A 12 46.701 5.634 8.711 1.00 0.01 C ATOM 173 CE2 PHE A 12 44.651 6.811 8.186 1.00 0.02 C ATOM 174 CZ PHE A 12 45.337 5.847 8.930 1.00 0.02 C ATOM 0 H PHE A 12 49.587 8.334 7.160 1.00 0.00 H new ATOM 0 HA PHE A 12 48.445 6.457 5.290 1.00 0.02 H new ATOM 0 HB2 PHE A 12 47.670 9.175 6.377 1.00 0.01 H new ATOM 0 HB3 PHE A 12 46.723 8.408 5.118 1.00 0.01 H new ATOM 0 HD1 PHE A 12 48.439 6.220 7.582 1.00 0.02 H new ATOM 0 HD2 PHE A 12 44.796 8.312 6.651 1.00 0.02 H new ATOM 0 HE1 PHE A 12 47.229 4.887 9.286 1.00 0.01 H new ATOM 0 HE2 PHE A 12 43.597 6.973 8.355 1.00 0.02 H new ATOM 0 HZ PHE A 12 44.813 5.266 9.675 1.00 0.02 H new ATOM 184 N LYS A 13 49.807 9.217 4.106 1.00 0.02 N ATOM 185 CA LYS A 13 50.253 9.839 2.828 1.00 0.02 C ATOM 186 C LYS A 13 51.116 8.837 2.063 1.00 0.02 C ATOM 187 O LYS A 13 50.921 8.610 0.885 1.00 0.02 O ATOM 188 CB LYS A 13 51.063 11.104 3.121 1.00 0.02 C ATOM 189 CG LYS A 13 51.329 11.853 1.814 1.00 0.02 C ATOM 190 CD LYS A 13 52.195 13.082 2.095 1.00 0.00 C ATOM 191 CE LYS A 13 52.307 13.928 0.826 1.00 0.02 C ATOM 192 NZ LYS A 13 53.248 15.059 1.063 1.00 0.00 N ATOM 0 H LYS A 13 50.102 9.702 4.953 1.00 0.02 H new ATOM 0 HA LYS A 13 49.384 10.109 2.228 1.00 0.02 H new ATOM 0 HB2 LYS A 13 50.519 11.744 3.815 1.00 0.02 H new ATOM 0 HB3 LYS A 13 52.006 10.842 3.601 1.00 0.02 H new ATOM 0 HG2 LYS A 13 51.831 11.197 1.103 1.00 0.02 H new ATOM 0 HG3 LYS A 13 50.386 12.156 1.358 1.00 0.02 H new ATOM 0 HD2 LYS A 13 51.758 13.672 2.901 1.00 0.00 H new ATOM 0 HD3 LYS A 13 53.186 12.773 2.428 1.00 0.00 H new ATOM 0 HE2 LYS A 13 52.661 13.314 -0.003 1.00 0.02 H new ATOM 0 HE3 LYS A 13 51.326 14.310 0.544 1.00 0.02 H new ATOM 0 HZ1 LYS A 13 53.324 15.634 0.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 52.892 15.649 1.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 54.185 14.684 1.313 1.00 0.00 H new ATOM 206 N GLU A 14 52.059 8.214 2.722 1.00 0.00 N ATOM 207 CA GLU A 14 52.909 7.211 2.022 1.00 0.02 C ATOM 208 C GLU A 14 52.004 6.091 1.507 1.00 0.02 C ATOM 209 O GLU A 14 52.185 5.579 0.420 1.00 0.00 O ATOM 210 CB GLU A 14 53.944 6.630 2.993 1.00 0.03 C ATOM 211 CG GLU A 14 54.996 7.692 3.338 1.00 0.03 C ATOM 212 CD GLU A 14 54.417 8.694 4.336 1.00 0.03 C ATOM 213 OE1 GLU A 14 54.266 8.329 5.490 1.00 0.00 O ATOM 214 OE2 GLU A 14 54.135 9.809 3.930 1.00 0.03 O ATOM 0 H GLU A 14 52.275 8.357 3.709 1.00 0.00 H new ATOM 0 HA GLU A 14 53.436 7.684 1.194 1.00 0.02 H new ATOM 0 HB2 GLU A 14 53.450 6.288 3.902 1.00 0.03 H new ATOM 0 HB3 GLU A 14 54.426 5.761 2.546 1.00 0.03 H new ATOM 0 HG2 GLU A 14 55.881 7.216 3.760 1.00 0.03 H new ATOM 0 HG3 GLU A 14 55.313 8.209 2.433 1.00 0.03 H new ATOM 221 N ALA A 15 51.015 5.726 2.277 1.00 0.02 N ATOM 222 CA ALA A 15 50.080 4.659 1.830 1.00 0.03 C ATOM 223 C ALA A 15 49.289 5.170 0.627 1.00 0.02 C ATOM 224 O ALA A 15 49.002 4.432 -0.295 1.00 0.03 O ATOM 225 CB ALA A 15 49.125 4.290 2.966 1.00 0.02 C ATOM 0 H ALA A 15 50.816 6.122 3.196 1.00 0.02 H new ATOM 0 HA ALA A 15 50.644 3.769 1.549 1.00 0.03 H new ATOM 0 HB1 ALA A 15 48.444 3.508 2.629 1.00 0.02 H new ATOM 0 HB2 ALA A 15 49.698 3.929 3.820 1.00 0.02 H new ATOM 0 HB3 ALA A 15 48.551 5.169 3.259 1.00 0.02 H new ATOM 231 N PHE A 16 48.948 6.429 0.613 1.00 0.00 N ATOM 232 CA PHE A 16 48.196 6.984 -0.544 1.00 0.02 C ATOM 233 C PHE A 16 49.052 6.846 -1.804 1.00 0.02 C ATOM 234 O PHE A 16 48.584 6.448 -2.852 1.00 0.02 O ATOM 235 CB PHE A 16 47.895 8.462 -0.282 1.00 0.00 C ATOM 236 CG PHE A 16 47.201 9.061 -1.483 1.00 0.02 C ATOM 237 CD1 PHE A 16 45.838 8.824 -1.698 1.00 0.02 C ATOM 238 CD2 PHE A 16 47.923 9.855 -2.382 1.00 0.02 C ATOM 239 CE1 PHE A 16 45.198 9.381 -2.812 1.00 0.02 C ATOM 240 CE2 PHE A 16 47.283 10.412 -3.495 1.00 0.00 C ATOM 241 CZ PHE A 16 45.921 10.175 -3.710 1.00 0.00 C ATOM 0 H PHE A 16 49.159 7.097 1.354 1.00 0.00 H new ATOM 0 HA PHE A 16 47.260 6.443 -0.679 1.00 0.02 H new ATOM 0 HB2 PHE A 16 47.266 8.564 0.602 1.00 0.00 H new ATOM 0 HB3 PHE A 16 48.820 9.001 -0.078 1.00 0.00 H new ATOM 0 HD1 PHE A 16 45.280 8.212 -1.005 1.00 0.02 H new ATOM 0 HD2 PHE A 16 48.974 10.038 -2.217 1.00 0.02 H new ATOM 0 HE1 PHE A 16 44.147 9.198 -2.978 1.00 0.02 H new ATOM 0 HE2 PHE A 16 47.840 11.025 -4.188 1.00 0.00 H new ATOM 0 HZ PHE A 16 45.427 10.605 -4.569 1.00 0.00 H new ATOM 251 N SER A 17 50.309 7.192 -1.703 1.00 0.00 N ATOM 252 CA SER A 17 51.217 7.110 -2.882 1.00 0.00 C ATOM 253 C SER A 17 51.354 5.662 -3.357 1.00 0.00 C ATOM 254 O SER A 17 51.337 5.384 -4.539 1.00 0.02 O ATOM 255 CB SER A 17 52.595 7.650 -2.498 1.00 0.09 C ATOM 256 OG SER A 17 53.414 7.713 -3.658 1.00 0.17 O ATOM 0 H SER A 17 50.747 7.530 -0.846 1.00 0.00 H new ATOM 0 HA SER A 17 50.795 7.705 -3.692 1.00 0.00 H new ATOM 0 HB2 SER A 17 52.499 8.640 -2.052 1.00 0.09 H new ATOM 0 HB3 SER A 17 53.055 7.006 -1.748 1.00 0.09 H new ATOM 0 HG SER A 17 54.298 8.060 -3.416 1.00 0.17 H new ATOM 262 N LEU A 18 51.492 4.735 -2.447 1.00 0.02 N ATOM 263 CA LEU A 18 51.631 3.310 -2.863 1.00 0.02 C ATOM 264 C LEU A 18 50.430 2.914 -3.721 1.00 0.02 C ATOM 265 O LEU A 18 50.555 2.180 -4.680 1.00 0.03 O ATOM 266 CB LEU A 18 51.692 2.409 -1.625 1.00 0.00 C ATOM 267 CG LEU A 18 53.007 2.639 -0.862 1.00 0.02 C ATOM 268 CD1 LEU A 18 52.974 1.837 0.444 1.00 0.02 C ATOM 269 CD2 LEU A 18 54.213 2.190 -1.715 1.00 0.02 C ATOM 0 H LEU A 18 51.514 4.901 -1.441 1.00 0.02 H new ATOM 0 HA LEU A 18 52.549 3.191 -3.438 1.00 0.02 H new ATOM 0 HB2 LEU A 18 50.844 2.618 -0.973 1.00 0.00 H new ATOM 0 HB3 LEU A 18 51.615 1.364 -1.924 1.00 0.00 H new ATOM 0 HG LEU A 18 53.112 3.702 -0.645 1.00 0.02 H new ATOM 0 HD11 LEU A 18 53.903 1.995 0.991 1.00 0.02 H new ATOM 0 HD12 LEU A 18 52.133 2.168 1.053 1.00 0.02 H new ATOM 0 HD13 LEU A 18 52.862 0.777 0.217 1.00 0.02 H new ATOM 0 HD21 LEU A 18 55.135 2.360 -1.159 1.00 0.02 H new ATOM 0 HD22 LEU A 18 54.120 1.129 -1.947 1.00 0.02 H new ATOM 0 HD23 LEU A 18 54.237 2.763 -2.642 1.00 0.02 H new ATOM 281 N PHE A 19 49.265 3.395 -3.382 1.00 0.02 N ATOM 282 CA PHE A 19 48.055 3.047 -4.177 1.00 0.00 C ATOM 283 C PHE A 19 48.009 3.904 -5.443 1.00 0.02 C ATOM 284 O PHE A 19 47.504 3.485 -6.466 1.00 0.02 O ATOM 285 CB PHE A 19 46.803 3.286 -3.326 1.00 0.02 C ATOM 286 CG PHE A 19 47.035 2.782 -1.910 1.00 0.02 C ATOM 287 CD1 PHE A 19 47.698 1.563 -1.674 1.00 0.02 C ATOM 288 CD2 PHE A 19 46.587 3.545 -0.824 1.00 0.00 C ATOM 289 CE1 PHE A 19 47.907 1.120 -0.363 1.00 0.02 C ATOM 290 CE2 PHE A 19 46.799 3.097 0.486 1.00 0.02 C ATOM 291 CZ PHE A 19 47.459 1.887 0.716 1.00 0.02 C ATOM 0 H PHE A 19 49.100 4.014 -2.588 1.00 0.02 H new ATOM 0 HA PHE A 19 48.093 1.997 -4.466 1.00 0.00 H new ATOM 0 HB2 PHE A 19 46.562 4.349 -3.308 1.00 0.02 H new ATOM 0 HB3 PHE A 19 45.949 2.773 -3.768 1.00 0.02 H new ATOM 0 HD1 PHE A 19 48.046 0.969 -2.506 1.00 0.02 H new ATOM 0 HD2 PHE A 19 46.077 4.481 -0.997 1.00 0.00 H new ATOM 0 HE1 PHE A 19 48.415 0.184 -0.185 1.00 0.02 H new ATOM 0 HE2 PHE A 19 46.452 3.688 1.320 1.00 0.02 H new ATOM 0 HZ PHE A 19 47.623 1.545 1.727 1.00 0.02 H new ATOM 301 N ASP A 20 48.547 5.091 -5.394 1.00 0.03 N ATOM 302 CA ASP A 20 48.546 5.953 -6.608 1.00 0.02 C ATOM 303 C ASP A 20 49.669 5.486 -7.534 1.00 0.00 C ATOM 304 O ASP A 20 50.732 6.071 -7.587 1.00 0.02 O ATOM 305 CB ASP A 20 48.783 7.409 -6.201 1.00 0.02 C ATOM 306 CG ASP A 20 48.628 8.313 -7.424 1.00 0.02 C ATOM 307 OD1 ASP A 20 48.570 7.785 -8.521 1.00 0.02 O ATOM 308 OD2 ASP A 20 48.571 9.518 -7.242 1.00 0.02 O ATOM 0 H ASP A 20 48.986 5.500 -4.569 1.00 0.03 H new ATOM 0 HA ASP A 20 47.587 5.881 -7.120 1.00 0.02 H new ATOM 0 HB2 ASP A 20 48.073 7.701 -5.427 1.00 0.02 H new ATOM 0 HB3 ASP A 20 49.781 7.521 -5.777 1.00 0.02 H new ATOM 313 N LYS A 21 49.443 4.416 -8.249 1.00 0.02 N ATOM 314 CA LYS A 21 50.493 3.875 -9.158 1.00 0.02 C ATOM 315 C LYS A 21 50.733 4.823 -10.335 1.00 0.02 C ATOM 316 O LYS A 21 51.824 4.892 -10.865 1.00 0.02 O ATOM 317 CB LYS A 21 50.043 2.511 -9.688 1.00 0.02 C ATOM 318 CG LYS A 21 48.813 2.685 -10.581 1.00 0.00 C ATOM 319 CD LYS A 21 48.209 1.314 -10.892 1.00 0.02 C ATOM 320 CE LYS A 21 47.206 1.444 -12.041 1.00 0.03 C ATOM 321 NZ LYS A 21 46.355 0.222 -12.097 1.00 0.02 N ATOM 0 H LYS A 21 48.569 3.890 -8.241 1.00 0.02 H new ATOM 0 HA LYS A 21 51.423 3.774 -8.599 1.00 0.02 H new ATOM 0 HB2 LYS A 21 50.851 2.045 -10.252 1.00 0.02 H new ATOM 0 HB3 LYS A 21 49.810 1.846 -8.857 1.00 0.02 H new ATOM 0 HG2 LYS A 21 48.075 3.315 -10.083 1.00 0.00 H new ATOM 0 HG3 LYS A 21 49.091 3.190 -11.506 1.00 0.00 H new ATOM 0 HD2 LYS A 21 48.997 0.611 -11.161 1.00 0.02 H new ATOM 0 HD3 LYS A 21 47.714 0.914 -10.007 1.00 0.02 H new ATOM 0 HE2 LYS A 21 46.584 2.327 -11.897 1.00 0.03 H new ATOM 0 HE3 LYS A 21 47.734 1.576 -12.986 1.00 0.03 H new ATOM 0 HZ1 LYS A 21 45.673 0.309 -12.877 1.00 0.02 H new ATOM 0 HZ2 LYS A 21 46.956 -0.612 -12.254 1.00 0.02 H new ATOM 0 HZ3 LYS A 21 45.841 0.115 -11.199 1.00 0.02 H new ATOM 335 N ASP A 22 49.735 5.552 -10.761 1.00 0.00 N ATOM 336 CA ASP A 22 49.937 6.481 -11.912 1.00 0.02 C ATOM 337 C ASP A 22 50.516 7.806 -11.405 1.00 0.02 C ATOM 338 O ASP A 22 51.056 8.587 -12.163 1.00 0.03 O ATOM 339 CB ASP A 22 48.598 6.735 -12.611 1.00 0.00 C ATOM 340 CG ASP A 22 47.588 7.290 -11.607 1.00 0.02 C ATOM 341 OD1 ASP A 22 47.983 8.100 -10.785 1.00 0.02 O ATOM 342 OD2 ASP A 22 46.435 6.899 -11.679 1.00 0.02 O ATOM 0 H ASP A 22 48.795 5.545 -10.365 1.00 0.00 H new ATOM 0 HA ASP A 22 50.632 6.032 -12.622 1.00 0.02 H new ATOM 0 HB2 ASP A 22 48.733 7.439 -13.432 1.00 0.00 H new ATOM 0 HB3 ASP A 22 48.222 5.808 -13.045 1.00 0.00 H new ATOM 347 N GLY A 23 50.425 8.056 -10.127 1.00 0.00 N ATOM 348 CA GLY A 23 50.986 9.317 -9.565 1.00 0.00 C ATOM 349 C GLY A 23 50.144 10.517 -10.001 1.00 0.00 C ATOM 350 O GLY A 23 50.605 11.641 -9.984 1.00 0.02 O ATOM 0 H GLY A 23 49.984 7.438 -9.445 1.00 0.00 H new ATOM 0 HA2 GLY A 23 51.010 9.258 -8.477 1.00 0.00 H new ATOM 0 HA3 GLY A 23 52.015 9.446 -9.900 1.00 0.00 H new ATOM 354 N ASP A 24 48.917 10.301 -10.402 1.00 0.02 N ATOM 355 CA ASP A 24 48.070 11.451 -10.845 1.00 0.01 C ATOM 356 C ASP A 24 47.362 12.074 -9.640 1.00 0.02 C ATOM 357 O ASP A 24 46.611 13.020 -9.774 1.00 0.02 O ATOM 358 CB ASP A 24 47.038 10.975 -11.869 1.00 0.02 C ATOM 359 CG ASP A 24 46.136 9.917 -11.230 1.00 0.02 C ATOM 360 OD1 ASP A 24 46.322 9.639 -10.056 1.00 0.01 O ATOM 361 OD2 ASP A 24 45.275 9.403 -11.925 1.00 0.02 O ATOM 0 H ASP A 24 48.467 9.386 -10.442 1.00 0.02 H new ATOM 0 HA ASP A 24 48.708 12.203 -11.308 1.00 0.01 H new ATOM 0 HB2 ASP A 24 46.439 11.817 -12.216 1.00 0.02 H new ATOM 0 HB3 ASP A 24 47.541 10.560 -12.742 1.00 0.02 H new ATOM 366 N GLY A 25 47.610 11.572 -8.460 1.00 0.02 N ATOM 367 CA GLY A 25 46.966 12.162 -7.252 1.00 0.02 C ATOM 368 C GLY A 25 45.473 11.825 -7.215 1.00 0.02 C ATOM 369 O GLY A 25 44.683 12.570 -6.671 1.00 0.00 O ATOM 0 H GLY A 25 48.229 10.781 -8.281 1.00 0.02 H new ATOM 0 HA2 GLY A 25 47.452 11.783 -6.353 1.00 0.02 H new ATOM 0 HA3 GLY A 25 47.100 13.244 -7.254 1.00 0.02 H new ATOM 373 N THR A 26 45.069 10.719 -7.788 1.00 0.02 N ATOM 374 CA THR A 26 43.616 10.358 -7.778 1.00 0.02 C ATOM 375 C THR A 26 43.472 8.831 -7.756 1.00 0.02 C ATOM 376 O THR A 26 43.746 8.171 -8.739 1.00 0.02 O ATOM 377 CB THR A 26 42.974 10.891 -9.063 1.00 0.01 C ATOM 378 OG1 THR A 26 43.803 10.566 -10.170 1.00 0.02 O ATOM 379 CG2 THR A 26 42.815 12.410 -8.972 1.00 0.00 C ATOM 0 H THR A 26 45.679 10.052 -8.261 1.00 0.02 H new ATOM 0 HA THR A 26 43.133 10.787 -6.900 1.00 0.02 H new ATOM 0 HB THR A 26 41.992 10.436 -9.193 1.00 0.01 H new ATOM 0 HG1 THR A 26 43.956 9.598 -10.191 1.00 0.02 H new ATOM 0 HG21 THR A 26 42.358 12.784 -9.888 1.00 0.00 H new ATOM 0 HG22 THR A 26 42.180 12.659 -8.122 1.00 0.00 H new ATOM 0 HG23 THR A 26 43.794 12.871 -8.841 1.00 0.00 H new ATOM 387 N ILE A 27 43.049 8.252 -6.663 1.00 0.02 N ATOM 388 CA ILE A 27 42.905 6.768 -6.628 1.00 0.02 C ATOM 389 C ILE A 27 41.578 6.373 -7.281 1.00 0.00 C ATOM 390 O ILE A 27 40.514 6.730 -6.812 1.00 0.02 O ATOM 391 CB ILE A 27 42.924 6.284 -5.176 1.00 0.00 C ATOM 392 CG1 ILE A 27 44.291 6.593 -4.556 1.00 0.02 C ATOM 393 CG2 ILE A 27 42.673 4.773 -5.137 1.00 0.02 C ATOM 394 CD1 ILE A 27 44.253 6.305 -3.053 1.00 0.01 C ATOM 0 H ILE A 27 42.799 8.737 -5.801 1.00 0.02 H new ATOM 0 HA ILE A 27 43.731 6.309 -7.171 1.00 0.02 H new ATOM 0 HB ILE A 27 42.144 6.794 -4.611 1.00 0.00 H new ATOM 0 HG12 ILE A 27 45.062 5.988 -5.033 1.00 0.02 H new ATOM 0 HG13 ILE A 27 44.552 7.637 -4.730 1.00 0.02 H new ATOM 0 HG21 ILE A 27 42.687 4.428 -4.103 1.00 0.02 H new ATOM 0 HG22 ILE A 27 41.701 4.554 -5.580 1.00 0.02 H new ATOM 0 HG23 ILE A 27 43.452 4.260 -5.701 1.00 0.02 H new ATOM 0 HD11 ILE A 27 45.227 6.526 -2.615 1.00 0.01 H new ATOM 0 HD12 ILE A 27 43.494 6.929 -2.582 1.00 0.01 H new ATOM 0 HD13 ILE A 27 44.012 5.255 -2.890 1.00 0.01 H new ATOM 406 N THR A 28 41.633 5.633 -8.356 1.00 0.02 N ATOM 407 CA THR A 28 40.382 5.204 -9.049 1.00 0.02 C ATOM 408 C THR A 28 39.940 3.846 -8.498 1.00 0.02 C ATOM 409 O THR A 28 40.609 3.251 -7.676 1.00 0.00 O ATOM 410 CB THR A 28 40.663 5.069 -10.549 1.00 0.02 C ATOM 411 OG1 THR A 28 41.754 4.180 -10.743 1.00 0.01 O ATOM 412 CG2 THR A 28 41.011 6.439 -11.139 1.00 0.02 C ATOM 0 H THR A 28 42.497 5.305 -8.787 1.00 0.02 H new ATOM 0 HA THR A 28 39.597 5.941 -8.883 1.00 0.02 H new ATOM 0 HB THR A 28 39.776 4.679 -11.049 1.00 0.02 H new ATOM 0 HG1 THR A 28 41.936 4.090 -11.702 1.00 0.01 H new ATOM 0 HG21 THR A 28 41.210 6.336 -12.206 1.00 0.02 H new ATOM 0 HG22 THR A 28 40.175 7.122 -10.990 1.00 0.02 H new ATOM 0 HG23 THR A 28 41.896 6.835 -10.642 1.00 0.02 H new ATOM 420 N THR A 29 38.828 3.342 -8.959 1.00 0.01 N ATOM 421 CA THR A 29 38.354 2.013 -8.479 1.00 0.02 C ATOM 422 C THR A 29 39.343 0.945 -8.940 1.00 0.02 C ATOM 423 O THR A 29 39.591 -0.023 -8.249 1.00 0.02 O ATOM 424 CB THR A 29 36.972 1.718 -9.084 1.00 0.01 C ATOM 425 OG1 THR A 29 37.137 1.054 -10.330 1.00 0.02 O ATOM 426 CG2 THR A 29 36.205 3.026 -9.307 1.00 0.02 C ATOM 0 H THR A 29 38.227 3.794 -9.648 1.00 0.01 H new ATOM 0 HA THR A 29 38.283 2.013 -7.391 1.00 0.02 H new ATOM 0 HB THR A 29 36.409 1.086 -8.397 1.00 0.01 H new ATOM 0 HG1 THR A 29 36.258 0.863 -10.718 1.00 0.02 H new ATOM 0 HG21 THR A 29 35.227 2.806 -9.736 1.00 0.02 H new ATOM 0 HG22 THR A 29 36.076 3.539 -8.354 1.00 0.02 H new ATOM 0 HG23 THR A 29 36.765 3.664 -9.990 1.00 0.02 H new ATOM 434 N LYS A 30 39.902 1.104 -10.107 1.00 0.02 N ATOM 435 CA LYS A 30 40.864 0.086 -10.611 1.00 0.02 C ATOM 436 C LYS A 30 42.076 0.012 -9.680 1.00 0.01 C ATOM 437 O LYS A 30 42.573 -1.057 -9.374 1.00 0.00 O ATOM 438 CB LYS A 30 41.318 0.465 -12.021 1.00 0.03 C ATOM 439 CG LYS A 30 42.175 -0.659 -12.605 1.00 0.03 C ATOM 440 CD LYS A 30 42.665 -0.255 -13.997 1.00 0.03 C ATOM 441 CE LYS A 30 43.414 -1.426 -14.634 1.00 0.02 C ATOM 442 NZ LYS A 30 44.479 -1.900 -13.705 1.00 0.02 N ATOM 0 H LYS A 30 39.735 1.893 -10.732 1.00 0.02 H new ATOM 0 HA LYS A 30 40.376 -0.888 -10.638 1.00 0.02 H new ATOM 0 HB2 LYS A 30 40.451 0.643 -12.657 1.00 0.03 H new ATOM 0 HB3 LYS A 30 41.888 1.393 -11.993 1.00 0.03 H new ATOM 0 HG2 LYS A 30 43.025 -0.860 -11.953 1.00 0.03 H new ATOM 0 HG3 LYS A 30 41.595 -1.580 -12.665 1.00 0.03 H new ATOM 0 HD2 LYS A 30 41.820 0.033 -14.622 1.00 0.03 H new ATOM 0 HD3 LYS A 30 43.320 0.614 -13.926 1.00 0.03 H new ATOM 0 HE2 LYS A 30 42.721 -2.238 -14.854 1.00 0.02 H new ATOM 0 HE3 LYS A 30 43.855 -1.117 -15.582 1.00 0.02 H new ATOM 0 HZ1 LYS A 30 45.394 -1.906 -14.200 1.00 0.02 H new ATOM 0 HZ2 LYS A 30 44.533 -1.263 -12.885 1.00 0.02 H new ATOM 0 HZ3 LYS A 30 44.254 -2.862 -13.381 1.00 0.02 H new ATOM 456 N GLU A 31 42.557 1.135 -9.220 1.00 0.02 N ATOM 457 CA GLU A 31 43.733 1.111 -8.310 1.00 0.01 C ATOM 458 C GLU A 31 43.300 0.565 -6.950 1.00 0.02 C ATOM 459 O GLU A 31 44.011 -0.189 -6.312 1.00 0.02 O ATOM 460 CB GLU A 31 44.292 2.526 -8.144 1.00 0.02 C ATOM 461 CG GLU A 31 44.977 2.964 -9.439 1.00 0.02 C ATOM 462 CD GLU A 31 45.543 4.375 -9.264 1.00 0.02 C ATOM 463 OE1 GLU A 31 45.350 4.941 -8.201 1.00 0.01 O ATOM 464 OE2 GLU A 31 46.159 4.866 -10.196 1.00 0.00 O ATOM 0 H GLU A 31 42.188 2.061 -9.434 1.00 0.02 H new ATOM 0 HA GLU A 31 44.509 0.473 -8.733 1.00 0.01 H new ATOM 0 HB2 GLU A 31 43.488 3.218 -7.894 1.00 0.02 H new ATOM 0 HB3 GLU A 31 45.003 2.552 -7.318 1.00 0.02 H new ATOM 0 HG2 GLU A 31 45.777 2.269 -9.693 1.00 0.02 H new ATOM 0 HG3 GLU A 31 44.265 2.946 -10.264 1.00 0.02 H new ATOM 471 N LEU A 32 42.137 0.950 -6.498 1.00 0.02 N ATOM 472 CA LEU A 32 41.653 0.471 -5.175 1.00 0.02 C ATOM 473 C LEU A 32 41.456 -1.049 -5.231 1.00 0.02 C ATOM 474 O LEU A 32 41.716 -1.755 -4.278 1.00 0.00 O ATOM 475 CB LEU A 32 40.323 1.178 -4.838 1.00 0.02 C ATOM 476 CG LEU A 32 40.176 1.360 -3.321 1.00 0.02 C ATOM 477 CD1 LEU A 32 38.781 1.910 -3.010 1.00 0.02 C ATOM 478 CD2 LEU A 32 40.365 0.013 -2.612 1.00 0.00 C ATOM 0 H LEU A 32 41.501 1.577 -6.991 1.00 0.02 H new ATOM 0 HA LEU A 32 42.382 0.703 -4.399 1.00 0.02 H new ATOM 0 HB2 LEU A 32 40.286 2.149 -5.331 1.00 0.02 H new ATOM 0 HB3 LEU A 32 39.487 0.594 -5.222 1.00 0.02 H new ATOM 0 HG LEU A 32 40.934 2.059 -2.967 1.00 0.02 H new ATOM 0 HD11 LEU A 32 38.673 2.040 -1.933 1.00 0.02 H new ATOM 0 HD12 LEU A 32 38.650 2.871 -3.507 1.00 0.02 H new ATOM 0 HD13 LEU A 32 38.026 1.210 -3.368 1.00 0.02 H new ATOM 0 HD21 LEU A 32 40.259 0.150 -1.536 1.00 0.00 H new ATOM 0 HD22 LEU A 32 39.612 -0.692 -2.964 1.00 0.00 H new ATOM 0 HD23 LEU A 32 41.358 -0.378 -2.832 1.00 0.00 H new ATOM 490 N GLY A 33 41.014 -1.558 -6.350 1.00 0.00 N ATOM 491 CA GLY A 33 40.817 -3.029 -6.482 1.00 0.03 C ATOM 492 C GLY A 33 42.182 -3.715 -6.475 1.00 0.02 C ATOM 493 O GLY A 33 42.376 -4.731 -5.839 1.00 0.02 O ATOM 0 H GLY A 33 40.780 -1.015 -7.181 1.00 0.00 H new ATOM 0 HA2 GLY A 33 40.204 -3.402 -5.662 1.00 0.03 H new ATOM 0 HA3 GLY A 33 40.286 -3.257 -7.406 1.00 0.03 H new ATOM 497 N THR A 34 43.132 -3.160 -7.177 1.00 0.02 N ATOM 498 CA THR A 34 44.488 -3.772 -7.209 1.00 0.02 C ATOM 499 C THR A 34 45.014 -3.916 -5.775 1.00 0.00 C ATOM 500 O THR A 34 45.475 -4.964 -5.366 1.00 0.02 O ATOM 501 CB THR A 34 45.427 -2.865 -8.014 1.00 0.02 C ATOM 502 OG1 THR A 34 45.064 -2.922 -9.387 1.00 0.02 O ATOM 503 CG2 THR A 34 46.875 -3.335 -7.854 1.00 0.02 C ATOM 0 H THR A 34 43.026 -2.309 -7.729 1.00 0.02 H new ATOM 0 HA THR A 34 44.441 -4.756 -7.676 1.00 0.02 H new ATOM 0 HB THR A 34 45.342 -1.842 -7.647 1.00 0.02 H new ATOM 0 HG1 THR A 34 44.280 -2.355 -9.542 1.00 0.02 H new ATOM 0 HG21 THR A 34 47.534 -2.685 -8.429 1.00 0.02 H new ATOM 0 HG22 THR A 34 47.156 -3.297 -6.801 1.00 0.02 H new ATOM 0 HG23 THR A 34 46.968 -4.359 -8.217 1.00 0.02 H new ATOM 511 N VAL A 35 44.942 -2.859 -5.015 1.00 0.01 N ATOM 512 CA VAL A 35 45.429 -2.901 -3.607 1.00 0.02 C ATOM 513 C VAL A 35 44.594 -3.881 -2.785 1.00 0.02 C ATOM 514 O VAL A 35 45.106 -4.833 -2.231 1.00 0.02 O ATOM 515 CB VAL A 35 45.295 -1.507 -3.003 1.00 0.02 C ATOM 516 CG1 VAL A 35 45.799 -1.517 -1.559 1.00 0.02 C ATOM 517 CG2 VAL A 35 46.126 -0.525 -3.826 1.00 0.00 C ATOM 0 H VAL A 35 44.563 -1.960 -5.312 1.00 0.01 H new ATOM 0 HA VAL A 35 46.469 -3.226 -3.596 1.00 0.02 H new ATOM 0 HB VAL A 35 44.248 -1.205 -3.013 1.00 0.02 H new ATOM 0 HG11 VAL A 35 45.701 -0.519 -1.132 1.00 0.02 H new ATOM 0 HG12 VAL A 35 45.209 -2.222 -0.973 1.00 0.02 H new ATOM 0 HG13 VAL A 35 46.847 -1.818 -1.541 1.00 0.02 H new ATOM 0 HG21 VAL A 35 46.035 0.474 -3.400 1.00 0.00 H new ATOM 0 HG22 VAL A 35 47.172 -0.832 -3.812 1.00 0.00 H new ATOM 0 HG23 VAL A 35 45.765 -0.515 -4.854 1.00 0.00 H new ATOM 527 N MET A 36 43.312 -3.655 -2.695 1.00 0.02 N ATOM 528 CA MET A 36 42.452 -4.577 -1.899 1.00 0.02 C ATOM 529 C MET A 36 42.756 -6.024 -2.294 1.00 0.00 C ATOM 530 O MET A 36 42.747 -6.920 -1.475 1.00 0.02 O ATOM 531 CB MET A 36 40.975 -4.267 -2.166 1.00 0.02 C ATOM 532 CG MET A 36 40.557 -3.020 -1.383 1.00 0.01 C ATOM 533 SD MET A 36 40.325 -3.453 0.359 1.00 0.01 S ATOM 534 CE MET A 36 40.745 -1.835 1.051 1.00 0.02 C ATOM 0 H MET A 36 42.824 -2.875 -3.136 1.00 0.02 H new ATOM 0 HA MET A 36 42.659 -4.440 -0.838 1.00 0.02 H new ATOM 0 HB2 MET A 36 40.814 -4.109 -3.232 1.00 0.02 H new ATOM 0 HB3 MET A 36 40.357 -5.116 -1.873 1.00 0.02 H new ATOM 0 HG2 MET A 36 41.318 -2.245 -1.478 1.00 0.01 H new ATOM 0 HG3 MET A 36 39.634 -2.612 -1.794 1.00 0.01 H new ATOM 0 HE1 MET A 36 40.667 -1.873 2.138 1.00 0.02 H new ATOM 0 HE2 MET A 36 41.765 -1.572 0.769 1.00 0.02 H new ATOM 0 HE3 MET A 36 40.057 -1.084 0.664 1.00 0.02 H new ATOM 544 N ARG A 37 43.042 -6.250 -3.548 1.00 0.02 N ATOM 545 CA ARG A 37 43.366 -7.629 -4.004 1.00 0.00 C ATOM 546 C ARG A 37 44.713 -8.047 -3.414 1.00 0.01 C ATOM 547 O ARG A 37 44.912 -9.185 -3.040 1.00 0.02 O ATOM 548 CB ARG A 37 43.446 -7.651 -5.532 1.00 0.02 C ATOM 549 CG ARG A 37 43.724 -9.077 -6.013 1.00 0.02 C ATOM 550 CD ARG A 37 43.729 -9.106 -7.542 1.00 0.00 C ATOM 551 NE ARG A 37 44.814 -8.220 -8.050 1.00 0.02 N ATOM 552 CZ ARG A 37 45.201 -8.307 -9.293 1.00 0.02 C ATOM 553 NH1 ARG A 37 44.638 -9.171 -10.093 1.00 0.02 N ATOM 554 NH2 ARG A 37 46.151 -7.530 -9.736 1.00 0.02 N ATOM 0 H ARG A 37 43.065 -5.536 -4.276 1.00 0.02 H new ATOM 0 HA ARG A 37 42.591 -8.321 -3.673 1.00 0.00 H new ATOM 0 HB2 ARG A 37 42.512 -7.288 -5.960 1.00 0.02 H new ATOM 0 HB3 ARG A 37 44.235 -6.981 -5.874 1.00 0.02 H new ATOM 0 HG2 ARG A 37 44.684 -9.421 -5.629 1.00 0.02 H new ATOM 0 HG3 ARG A 37 42.964 -9.757 -5.628 1.00 0.02 H new ATOM 0 HD2 ARG A 37 43.881 -10.125 -7.897 1.00 0.00 H new ATOM 0 HD3 ARG A 37 42.764 -8.775 -7.926 1.00 0.00 H new ATOM 0 HE ARG A 37 45.255 -7.545 -7.425 1.00 0.02 H new ATOM 0 HH11 ARG A 37 43.895 -9.778 -9.747 1.00 0.02 H new ATOM 0 HH12 ARG A 37 44.941 -9.239 -11.065 1.00 0.02 H new ATOM 0 HH21 ARG A 37 46.591 -6.855 -9.111 1.00 0.02 H new ATOM 0 HH22 ARG A 37 46.454 -7.598 -10.708 1.00 0.02 H new ATOM 568 N SER A 38 45.639 -7.132 -3.327 1.00 0.02 N ATOM 569 CA SER A 38 46.973 -7.476 -2.761 1.00 0.02 C ATOM 570 C SER A 38 46.837 -7.787 -1.267 1.00 0.02 C ATOM 571 O SER A 38 47.617 -8.527 -0.702 1.00 0.02 O ATOM 572 CB SER A 38 47.926 -6.296 -2.950 1.00 0.00 C ATOM 573 OG SER A 38 47.511 -5.219 -2.120 1.00 0.02 O ATOM 0 H SER A 38 45.529 -6.162 -3.623 1.00 0.02 H new ATOM 0 HA SER A 38 47.368 -8.351 -3.277 1.00 0.02 H new ATOM 0 HB2 SER A 38 48.944 -6.592 -2.699 1.00 0.00 H new ATOM 0 HB3 SER A 38 47.934 -5.983 -3.994 1.00 0.00 H new ATOM 0 HG SER A 38 46.541 -5.101 -2.198 1.00 0.02 H new ATOM 579 N LEU A 39 45.858 -7.210 -0.621 1.00 0.02 N ATOM 580 CA LEU A 39 45.674 -7.448 0.842 1.00 0.00 C ATOM 581 C LEU A 39 44.850 -8.716 1.085 1.00 0.02 C ATOM 582 O LEU A 39 44.609 -9.098 2.213 1.00 0.03 O ATOM 583 CB LEU A 39 44.949 -6.251 1.465 1.00 0.01 C ATOM 584 CG LEU A 39 45.675 -4.951 1.098 1.00 0.02 C ATOM 585 CD1 LEU A 39 44.860 -3.758 1.606 1.00 0.00 C ATOM 586 CD2 LEU A 39 47.070 -4.929 1.740 1.00 0.02 C ATOM 0 H LEU A 39 45.175 -6.582 -1.045 1.00 0.02 H new ATOM 0 HA LEU A 39 46.655 -7.573 1.300 1.00 0.00 H new ATOM 0 HB2 LEU A 39 43.919 -6.215 1.111 1.00 0.01 H new ATOM 0 HB3 LEU A 39 44.910 -6.362 2.549 1.00 0.01 H new ATOM 0 HG LEU A 39 45.781 -4.891 0.015 1.00 0.02 H new ATOM 0 HD11 LEU A 39 45.372 -2.831 1.348 1.00 0.00 H new ATOM 0 HD12 LEU A 39 43.873 -3.768 1.144 1.00 0.00 H new ATOM 0 HD13 LEU A 39 44.754 -3.824 2.689 1.00 0.00 H new ATOM 0 HD21 LEU A 39 47.578 -4.002 1.474 1.00 0.02 H new ATOM 0 HD22 LEU A 39 46.973 -4.991 2.824 1.00 0.02 H new ATOM 0 HD23 LEU A 39 47.650 -5.778 1.378 1.00 0.02 H new ATOM 598 N GLY A 40 44.421 -9.380 0.043 1.00 0.02 N ATOM 599 CA GLY A 40 43.620 -10.631 0.230 1.00 0.02 C ATOM 600 C GLY A 40 42.124 -10.308 0.194 1.00 0.01 C ATOM 601 O GLY A 40 41.295 -11.145 0.494 1.00 0.02 O ATOM 0 H GLY A 40 44.589 -9.113 -0.927 1.00 0.02 H new ATOM 0 HA2 GLY A 40 43.864 -11.349 -0.553 1.00 0.02 H new ATOM 0 HA3 GLY A 40 43.876 -11.098 1.181 1.00 0.02 H new ATOM 605 N GLN A 41 41.770 -9.102 -0.172 1.00 0.01 N ATOM 606 CA GLN A 41 40.324 -8.718 -0.233 1.00 0.01 C ATOM 607 C GLN A 41 39.863 -8.723 -1.691 1.00 0.02 C ATOM 608 O GLN A 41 40.549 -8.237 -2.566 1.00 0.02 O ATOM 609 CB GLN A 41 40.148 -7.314 0.349 1.00 0.02 C ATOM 610 CG GLN A 41 40.453 -7.339 1.848 1.00 0.00 C ATOM 611 CD GLN A 41 40.229 -5.945 2.436 1.00 0.02 C ATOM 612 OE1 GLN A 41 41.250 -5.149 2.601 1.00 0.02 O flip ATOM 613 NE2 GLN A 41 39.115 -5.576 2.749 1.00 0.00 N flip ATOM 0 H GLN A 41 42.422 -8.363 -0.433 1.00 0.01 H new ATOM 0 HA GLN A 41 39.731 -9.429 0.342 1.00 0.01 H new ATOM 0 HB2 GLN A 41 40.813 -6.614 -0.156 1.00 0.02 H new ATOM 0 HB3 GLN A 41 39.129 -6.964 0.180 1.00 0.02 H new ATOM 0 HG2 GLN A 41 39.811 -8.064 2.349 1.00 0.00 H new ATOM 0 HG3 GLN A 41 41.483 -7.655 2.015 1.00 0.00 H new ATOM 0 HE21 GLN A 41 38.317 -6.198 2.620 1.00 0.00 H new ATOM 0 HE22 GLN A 41 38.978 -4.644 3.141 1.00 0.00 H new ATOM 622 N ASN A 42 38.704 -9.272 -1.958 1.00 0.02 N ATOM 623 CA ASN A 42 38.180 -9.324 -3.361 1.00 0.01 C ATOM 624 C ASN A 42 36.896 -8.490 -3.462 1.00 0.00 C ATOM 625 O ASN A 42 35.806 -9.019 -3.381 1.00 0.02 O ATOM 626 CB ASN A 42 37.857 -10.776 -3.718 1.00 0.02 C ATOM 627 CG ASN A 42 37.611 -10.887 -5.223 1.00 0.02 C ATOM 628 OD1 ASN A 42 37.950 -9.993 -5.973 1.00 0.02 O ATOM 629 ND2 ASN A 42 37.033 -11.955 -5.700 1.00 0.01 N ATOM 0 H ASN A 42 38.092 -9.691 -1.258 1.00 0.02 H new ATOM 0 HA ASN A 42 38.930 -8.926 -4.045 1.00 0.01 H new ATOM 0 HB2 ASN A 42 38.681 -11.426 -3.424 1.00 0.02 H new ATOM 0 HB3 ASN A 42 36.976 -11.110 -3.169 1.00 0.02 H new ATOM 0 HD21 ASN A 42 36.866 -12.040 -6.703 1.00 0.01 H new ATOM 0 HD22 ASN A 42 36.749 -12.705 -5.070 1.00 0.01 H new ATOM 636 N PRO A 43 37.016 -7.196 -3.634 1.00 0.02 N ATOM 637 CA PRO A 43 35.837 -6.294 -3.742 1.00 0.00 C ATOM 638 C PRO A 43 35.241 -6.293 -5.155 1.00 0.01 C ATOM 639 O PRO A 43 35.949 -6.345 -6.141 1.00 0.01 O ATOM 640 CB PRO A 43 36.415 -4.923 -3.381 1.00 0.02 C ATOM 641 CG PRO A 43 37.837 -4.975 -3.850 1.00 0.02 C ATOM 642 CD PRO A 43 38.282 -6.445 -3.746 1.00 0.01 C ATOM 0 HA PRO A 43 35.014 -6.600 -3.096 1.00 0.00 H new ATOM 0 HB2 PRO A 43 35.865 -4.120 -3.872 1.00 0.02 H new ATOM 0 HB3 PRO A 43 36.358 -4.739 -2.308 1.00 0.02 H new ATOM 0 HG2 PRO A 43 37.920 -4.617 -4.876 1.00 0.02 H new ATOM 0 HG3 PRO A 43 38.471 -4.334 -3.237 1.00 0.02 H new ATOM 0 HD2 PRO A 43 38.852 -6.752 -4.623 1.00 0.01 H new ATOM 0 HD3 PRO A 43 38.921 -6.608 -2.878 1.00 0.01 H new ATOM 650 N THR A 44 33.941 -6.228 -5.256 1.00 0.02 N ATOM 651 CA THR A 44 33.287 -6.215 -6.597 1.00 0.01 C ATOM 652 C THR A 44 33.247 -4.780 -7.125 1.00 0.02 C ATOM 653 O THR A 44 33.450 -3.831 -6.393 1.00 0.02 O ATOM 654 CB THR A 44 31.858 -6.750 -6.466 1.00 0.00 C ATOM 655 OG1 THR A 44 31.892 -8.042 -5.876 1.00 0.01 O ATOM 656 CG2 THR A 44 31.209 -6.837 -7.849 1.00 0.02 C ATOM 0 H THR A 44 33.300 -6.183 -4.464 1.00 0.02 H new ATOM 0 HA THR A 44 33.850 -6.842 -7.288 1.00 0.01 H new ATOM 0 HB THR A 44 31.275 -6.076 -5.838 1.00 0.00 H new ATOM 0 HG1 THR A 44 30.979 -8.386 -5.789 1.00 0.01 H new ATOM 0 HG21 THR A 44 30.193 -7.218 -7.751 1.00 0.02 H new ATOM 0 HG22 THR A 44 31.183 -5.846 -8.302 1.00 0.02 H new ATOM 0 HG23 THR A 44 31.789 -7.509 -8.481 1.00 0.02 H new ATOM 664 N GLU A 45 32.983 -4.616 -8.393 1.00 0.02 N ATOM 665 CA GLU A 45 32.928 -3.239 -8.960 1.00 0.02 C ATOM 666 C GLU A 45 31.862 -2.430 -8.212 1.00 0.02 C ATOM 667 O GLU A 45 32.062 -1.279 -7.877 1.00 0.01 O ATOM 668 CB GLU A 45 32.579 -3.303 -10.463 1.00 0.01 C ATOM 669 CG GLU A 45 33.861 -3.414 -11.298 1.00 0.02 C ATOM 670 CD GLU A 45 34.623 -2.089 -11.243 1.00 0.02 C ATOM 671 OE1 GLU A 45 34.013 -1.092 -10.894 1.00 0.02 O ATOM 672 OE2 GLU A 45 35.804 -2.094 -11.550 1.00 0.02 O ATOM 0 H GLU A 45 32.804 -5.370 -9.056 1.00 0.02 H new ATOM 0 HA GLU A 45 33.899 -2.758 -8.845 1.00 0.02 H new ATOM 0 HB2 GLU A 45 31.933 -4.159 -10.658 1.00 0.01 H new ATOM 0 HB3 GLU A 45 32.023 -2.412 -10.753 1.00 0.01 H new ATOM 0 HG2 GLU A 45 34.487 -4.221 -10.917 1.00 0.02 H new ATOM 0 HG3 GLU A 45 33.615 -3.661 -12.331 1.00 0.02 H new ATOM 679 N ALA A 46 30.729 -3.025 -7.959 1.00 0.00 N ATOM 680 CA ALA A 46 29.646 -2.293 -7.245 1.00 0.01 C ATOM 681 C ALA A 46 30.121 -1.915 -5.842 1.00 0.00 C ATOM 682 O ALA A 46 29.815 -0.853 -5.336 1.00 0.01 O ATOM 683 CB ALA A 46 28.410 -3.189 -7.141 1.00 0.01 C ATOM 0 H ALA A 46 30.507 -3.987 -8.216 1.00 0.00 H new ATOM 0 HA ALA A 46 29.395 -1.388 -7.798 1.00 0.01 H new ATOM 0 HB1 ALA A 46 27.616 -2.655 -6.619 1.00 0.01 H new ATOM 0 HB2 ALA A 46 28.070 -3.457 -8.141 1.00 0.01 H new ATOM 0 HB3 ALA A 46 28.662 -4.094 -6.589 1.00 0.01 H new ATOM 689 N GLU A 47 30.866 -2.778 -5.209 1.00 0.02 N ATOM 690 CA GLU A 47 31.359 -2.467 -3.840 1.00 0.00 C ATOM 691 C GLU A 47 32.406 -1.359 -3.909 1.00 0.00 C ATOM 692 O GLU A 47 32.434 -0.477 -3.077 1.00 0.02 O ATOM 693 CB GLU A 47 31.972 -3.719 -3.211 1.00 0.02 C ATOM 694 CG GLU A 47 30.871 -4.745 -2.938 1.00 0.00 C ATOM 695 CD GLU A 47 31.474 -5.970 -2.248 1.00 0.01 C ATOM 696 OE1 GLU A 47 32.689 -6.040 -2.164 1.00 0.02 O ATOM 697 OE2 GLU A 47 30.710 -6.817 -1.817 1.00 0.02 O ATOM 0 H GLU A 47 31.154 -3.683 -5.580 1.00 0.02 H new ATOM 0 HA GLU A 47 30.522 -2.133 -3.226 1.00 0.00 H new ATOM 0 HB2 GLU A 47 32.722 -4.144 -3.878 1.00 0.02 H new ATOM 0 HB3 GLU A 47 32.481 -3.460 -2.282 1.00 0.02 H new ATOM 0 HG2 GLU A 47 30.097 -4.305 -2.309 1.00 0.00 H new ATOM 0 HG3 GLU A 47 30.394 -5.039 -3.873 1.00 0.00 H new ATOM 704 N LEU A 48 33.261 -1.372 -4.893 1.00 0.01 N ATOM 705 CA LEU A 48 34.281 -0.293 -4.989 1.00 0.02 C ATOM 706 C LEU A 48 33.570 1.039 -5.230 1.00 0.01 C ATOM 707 O LEU A 48 33.919 2.056 -4.665 1.00 0.00 O ATOM 708 CB LEU A 48 35.231 -0.579 -6.156 1.00 0.01 C ATOM 709 CG LEU A 48 36.040 -1.854 -5.880 1.00 0.01 C ATOM 710 CD1 LEU A 48 36.848 -2.211 -7.132 1.00 0.01 C ATOM 711 CD2 LEU A 48 36.997 -1.635 -4.689 1.00 0.02 C ATOM 0 H LEU A 48 33.298 -2.077 -5.629 1.00 0.01 H new ATOM 0 HA LEU A 48 34.855 -0.249 -4.063 1.00 0.02 H new ATOM 0 HB2 LEU A 48 34.662 -0.693 -7.078 1.00 0.01 H new ATOM 0 HB3 LEU A 48 35.906 0.265 -6.300 1.00 0.01 H new ATOM 0 HG LEU A 48 35.358 -2.667 -5.632 1.00 0.01 H new ATOM 0 HD11 LEU A 48 37.426 -3.116 -6.946 1.00 0.01 H new ATOM 0 HD12 LEU A 48 36.169 -2.380 -7.968 1.00 0.01 H new ATOM 0 HD13 LEU A 48 37.524 -1.391 -7.374 1.00 0.01 H new ATOM 0 HD21 LEU A 48 37.564 -2.548 -4.505 1.00 0.02 H new ATOM 0 HD22 LEU A 48 37.684 -0.821 -4.919 1.00 0.02 H new ATOM 0 HD23 LEU A 48 36.419 -1.381 -3.800 1.00 0.02 H new ATOM 723 N GLN A 49 32.573 1.035 -6.074 1.00 0.00 N ATOM 724 CA GLN A 49 31.837 2.297 -6.363 1.00 0.00 C ATOM 725 C GLN A 49 31.169 2.805 -5.081 1.00 0.00 C ATOM 726 O GLN A 49 31.249 3.971 -4.746 1.00 0.02 O ATOM 727 CB GLN A 49 30.773 2.030 -7.435 1.00 0.01 C ATOM 728 CG GLN A 49 30.082 3.341 -7.827 1.00 0.02 C ATOM 729 CD GLN A 49 31.089 4.274 -8.505 1.00 0.02 C ATOM 730 OE1 GLN A 49 32.058 3.765 -9.217 1.00 0.00 O flip ATOM 731 NE2 GLN A 49 30.992 5.479 -8.388 1.00 0.01 N flip ATOM 0 H GLN A 49 32.238 0.212 -6.575 1.00 0.00 H new ATOM 0 HA GLN A 49 32.533 3.053 -6.727 1.00 0.00 H new ATOM 0 HB2 GLN A 49 31.235 1.576 -8.312 1.00 0.01 H new ATOM 0 HB3 GLN A 49 30.037 1.320 -7.059 1.00 0.01 H new ATOM 0 HG2 GLN A 49 29.250 3.137 -8.501 1.00 0.02 H new ATOM 0 HG3 GLN A 49 29.665 3.822 -6.942 1.00 0.02 H new ATOM 0 HE21 GLN A 49 30.236 5.878 -7.832 1.00 0.01 H new ATOM 0 HE22 GLN A 49 31.667 6.092 -8.846 1.00 0.01 H new ATOM 740 N ASP A 50 30.515 1.934 -4.359 1.00 0.01 N ATOM 741 CA ASP A 50 29.846 2.360 -3.098 1.00 0.01 C ATOM 742 C ASP A 50 30.910 2.712 -2.059 1.00 0.00 C ATOM 743 O ASP A 50 30.843 3.740 -1.421 1.00 0.01 O ATOM 744 CB ASP A 50 28.974 1.219 -2.570 1.00 0.01 C ATOM 745 CG ASP A 50 27.812 0.978 -3.536 1.00 0.00 C ATOM 746 OD1 ASP A 50 27.589 1.825 -4.385 1.00 0.01 O ATOM 747 OD2 ASP A 50 27.165 -0.048 -3.409 1.00 0.00 O ATOM 0 H ASP A 50 30.416 0.945 -4.589 1.00 0.01 H new ATOM 0 HA ASP A 50 29.220 3.231 -3.292 1.00 0.01 H new ATOM 0 HB2 ASP A 50 29.568 0.311 -2.465 1.00 0.01 H new ATOM 0 HB3 ASP A 50 28.592 1.467 -1.579 1.00 0.01 H new ATOM 752 N MET A 51 31.900 1.876 -1.894 1.00 0.01 N ATOM 753 CA MET A 51 32.967 2.186 -0.901 1.00 0.02 C ATOM 754 C MET A 51 33.533 3.569 -1.219 1.00 0.02 C ATOM 755 O MET A 51 33.805 4.357 -0.337 1.00 0.01 O ATOM 756 CB MET A 51 34.079 1.139 -0.998 1.00 0.01 C ATOM 757 CG MET A 51 33.589 -0.196 -0.429 1.00 0.01 C ATOM 758 SD MET A 51 34.662 -1.530 -1.015 1.00 0.01 S ATOM 759 CE MET A 51 33.881 -2.872 -0.086 1.00 0.01 C ATOM 0 H MET A 51 32.015 0.998 -2.400 1.00 0.01 H new ATOM 0 HA MET A 51 32.557 2.172 0.109 1.00 0.02 H new ATOM 0 HB2 MET A 51 34.381 1.012 -2.038 1.00 0.01 H new ATOM 0 HB3 MET A 51 34.958 1.477 -0.449 1.00 0.01 H new ATOM 0 HG2 MET A 51 33.593 -0.163 0.660 1.00 0.01 H new ATOM 0 HG3 MET A 51 32.560 -0.380 -0.738 1.00 0.01 H new ATOM 0 HE1 MET A 51 34.120 -3.826 -0.555 1.00 0.01 H new ATOM 0 HE2 MET A 51 34.252 -2.869 0.939 1.00 0.01 H new ATOM 0 HE3 MET A 51 32.800 -2.730 -0.081 1.00 0.01 H new ATOM 769 N ILE A 52 33.707 3.874 -2.473 1.00 0.02 N ATOM 770 CA ILE A 52 34.243 5.214 -2.835 1.00 0.00 C ATOM 771 C ILE A 52 33.151 6.272 -2.625 1.00 0.02 C ATOM 772 O ILE A 52 33.407 7.367 -2.164 1.00 0.00 O ATOM 773 CB ILE A 52 34.690 5.205 -4.303 1.00 0.01 C ATOM 774 CG1 ILE A 52 35.950 4.344 -4.438 1.00 0.00 C ATOM 775 CG2 ILE A 52 34.998 6.637 -4.757 1.00 0.00 C ATOM 776 CD1 ILE A 52 36.266 4.114 -5.916 1.00 0.02 C ATOM 0 H ILE A 52 33.503 3.257 -3.259 1.00 0.02 H new ATOM 0 HA ILE A 52 35.099 5.452 -2.203 1.00 0.00 H new ATOM 0 HB ILE A 52 33.895 4.795 -4.925 1.00 0.01 H new ATOM 0 HG12 ILE A 52 36.791 4.836 -3.949 1.00 0.00 H new ATOM 0 HG13 ILE A 52 35.804 3.388 -3.935 1.00 0.00 H new ATOM 0 HG21 ILE A 52 35.315 6.628 -5.800 1.00 0.00 H new ATOM 0 HG22 ILE A 52 34.103 7.251 -4.655 1.00 0.00 H new ATOM 0 HG23 ILE A 52 35.795 7.051 -4.139 1.00 0.00 H new ATOM 0 HD11 ILE A 52 37.163 3.501 -6.005 1.00 0.02 H new ATOM 0 HD12 ILE A 52 35.429 3.603 -6.392 1.00 0.02 H new ATOM 0 HD13 ILE A 52 36.432 5.073 -6.406 1.00 0.02 H new ATOM 788 N ASN A 53 31.940 5.956 -2.997 1.00 0.02 N ATOM 789 CA ASN A 53 30.819 6.934 -2.868 1.00 0.02 C ATOM 790 C ASN A 53 30.597 7.365 -1.411 1.00 0.00 C ATOM 791 O ASN A 53 30.335 8.518 -1.133 1.00 0.01 O ATOM 792 CB ASN A 53 29.534 6.299 -3.401 1.00 0.01 C ATOM 793 CG ASN A 53 28.434 7.359 -3.478 1.00 0.02 C ATOM 794 OD1 ASN A 53 27.525 7.367 -2.672 1.00 0.01 O ATOM 795 ND2 ASN A 53 28.479 8.261 -4.420 1.00 0.00 N ATOM 0 H ASN A 53 31.676 5.052 -3.389 1.00 0.02 H new ATOM 0 HA ASN A 53 31.082 7.821 -3.445 1.00 0.02 H new ATOM 0 HB2 ASN A 53 29.710 5.870 -4.388 1.00 0.01 H new ATOM 0 HB3 ASN A 53 29.222 5.483 -2.750 1.00 0.01 H new ATOM 0 HD21 ASN A 53 27.751 8.973 -4.480 1.00 0.00 H new ATOM 0 HD22 ASN A 53 29.242 8.254 -5.097 1.00 0.00 H new ATOM 802 N GLU A 54 30.666 6.450 -0.481 1.00 0.00 N ATOM 803 CA GLU A 54 30.418 6.828 0.943 1.00 0.00 C ATOM 804 C GLU A 54 31.445 7.863 1.407 1.00 0.01 C ATOM 805 O GLU A 54 31.280 8.468 2.447 1.00 0.00 O ATOM 806 CB GLU A 54 30.497 5.594 1.846 1.00 0.00 C ATOM 807 CG GLU A 54 31.800 4.837 1.582 1.00 0.01 C ATOM 808 CD GLU A 54 32.079 3.871 2.735 1.00 0.01 C ATOM 809 OE1 GLU A 54 31.287 3.840 3.662 1.00 0.01 O ATOM 810 OE2 GLU A 54 33.081 3.178 2.672 1.00 0.01 O ATOM 0 H GLU A 54 30.881 5.466 -0.642 1.00 0.00 H new ATOM 0 HA GLU A 54 29.419 7.258 1.011 1.00 0.00 H new ATOM 0 HB2 GLU A 54 30.447 5.895 2.892 1.00 0.00 H new ATOM 0 HB3 GLU A 54 29.644 4.942 1.661 1.00 0.00 H new ATOM 0 HG2 GLU A 54 31.728 4.287 0.644 1.00 0.01 H new ATOM 0 HG3 GLU A 54 32.626 5.541 1.477 1.00 0.01 H new ATOM 817 N VAL A 55 32.514 8.062 0.669 1.00 0.01 N ATOM 818 CA VAL A 55 33.564 9.047 1.093 1.00 0.02 C ATOM 819 C VAL A 55 33.823 10.069 -0.013 1.00 0.02 C ATOM 820 O VAL A 55 34.532 11.034 0.192 1.00 0.02 O ATOM 821 CB VAL A 55 34.858 8.292 1.405 1.00 0.01 C ATOM 822 CG1 VAL A 55 34.708 7.548 2.739 1.00 0.01 C ATOM 823 CG2 VAL A 55 35.143 7.290 0.283 1.00 0.01 C ATOM 0 H VAL A 55 32.705 7.583 -0.211 1.00 0.01 H new ATOM 0 HA VAL A 55 33.216 9.578 1.979 1.00 0.02 H new ATOM 0 HB VAL A 55 35.685 8.998 1.479 1.00 0.01 H new ATOM 0 HG11 VAL A 55 35.630 7.010 2.961 1.00 0.01 H new ATOM 0 HG12 VAL A 55 34.505 8.265 3.535 1.00 0.01 H new ATOM 0 HG13 VAL A 55 33.882 6.840 2.670 1.00 0.01 H new ATOM 0 HG21 VAL A 55 36.064 6.750 0.502 1.00 0.01 H new ATOM 0 HG22 VAL A 55 34.317 6.583 0.209 1.00 0.01 H new ATOM 0 HG23 VAL A 55 35.251 7.823 -0.662 1.00 0.01 H new ATOM 833 N ASP A 56 33.265 9.890 -1.182 1.00 0.01 N ATOM 834 CA ASP A 56 33.505 10.884 -2.268 1.00 0.02 C ATOM 835 C ASP A 56 32.608 12.094 -2.018 1.00 0.02 C ATOM 836 O ASP A 56 31.480 12.148 -2.467 1.00 0.02 O ATOM 837 CB ASP A 56 33.171 10.256 -3.623 1.00 0.02 C ATOM 838 CG ASP A 56 33.253 11.320 -4.718 1.00 0.01 C ATOM 839 OD1 ASP A 56 32.524 12.292 -4.626 1.00 0.02 O ATOM 840 OD2 ASP A 56 34.044 11.143 -5.629 1.00 0.01 O ATOM 0 H ASP A 56 32.660 9.107 -1.430 1.00 0.01 H new ATOM 0 HA ASP A 56 34.551 11.191 -2.275 1.00 0.02 H new ATOM 0 HB2 ASP A 56 33.865 9.444 -3.839 1.00 0.02 H new ATOM 0 HB3 ASP A 56 32.171 9.823 -3.597 1.00 0.02 H new ATOM 845 N ALA A 57 33.090 13.054 -1.277 1.00 0.00 N ATOM 846 CA ALA A 57 32.256 14.250 -0.961 1.00 0.01 C ATOM 847 C ALA A 57 32.378 15.321 -2.049 1.00 0.02 C ATOM 848 O ALA A 57 31.577 16.232 -2.101 1.00 0.00 O ATOM 849 CB ALA A 57 32.713 14.840 0.374 1.00 0.01 C ATOM 0 H ALA A 57 34.028 13.062 -0.876 1.00 0.00 H new ATOM 0 HA ALA A 57 31.214 13.935 -0.906 1.00 0.01 H new ATOM 0 HB1 ALA A 57 32.108 15.715 0.611 1.00 0.01 H new ATOM 0 HB2 ALA A 57 32.597 14.094 1.160 1.00 0.01 H new ATOM 0 HB3 ALA A 57 33.761 15.132 0.303 1.00 0.01 H new ATOM 855 N ASP A 58 33.350 15.246 -2.927 1.00 0.01 N ATOM 856 CA ASP A 58 33.464 16.291 -3.993 1.00 0.01 C ATOM 857 C ASP A 58 32.636 15.856 -5.208 1.00 0.02 C ATOM 858 O ASP A 58 32.357 16.634 -6.099 1.00 0.01 O ATOM 859 CB ASP A 58 34.932 16.443 -4.403 1.00 0.02 C ATOM 860 CG ASP A 58 35.470 15.103 -4.912 1.00 0.02 C ATOM 861 OD1 ASP A 58 34.667 14.223 -5.172 1.00 0.01 O ATOM 862 OD2 ASP A 58 36.678 14.981 -5.034 1.00 0.02 O ATOM 0 H ASP A 58 34.061 14.515 -2.952 1.00 0.01 H new ATOM 0 HA ASP A 58 33.094 17.245 -3.617 1.00 0.01 H new ATOM 0 HB2 ASP A 58 35.025 17.202 -5.180 1.00 0.02 H new ATOM 0 HB3 ASP A 58 35.523 16.783 -3.553 1.00 0.02 H new ATOM 867 N GLY A 59 32.245 14.611 -5.242 1.00 0.02 N ATOM 868 CA GLY A 59 31.436 14.105 -6.389 1.00 0.01 C ATOM 869 C GLY A 59 32.347 13.824 -7.590 1.00 0.02 C ATOM 870 O GLY A 59 31.887 13.705 -8.708 1.00 0.02 O ATOM 0 H GLY A 59 32.452 13.919 -4.522 1.00 0.02 H new ATOM 0 HA2 GLY A 59 30.910 13.195 -6.100 1.00 0.01 H new ATOM 0 HA3 GLY A 59 30.677 14.839 -6.661 1.00 0.01 H new ATOM 874 N ASN A 60 33.634 13.724 -7.380 1.00 0.01 N ATOM 875 CA ASN A 60 34.548 13.461 -8.531 1.00 0.02 C ATOM 876 C ASN A 60 34.445 11.989 -8.956 1.00 0.01 C ATOM 877 O ASN A 60 34.652 11.660 -10.107 1.00 0.02 O ATOM 878 CB ASN A 60 35.994 13.826 -8.144 1.00 0.01 C ATOM 879 CG ASN A 60 36.656 12.692 -7.351 1.00 0.02 C ATOM 880 OD1 ASN A 60 35.984 11.871 -6.762 1.00 0.02 O ATOM 881 ND2 ASN A 60 37.958 12.616 -7.311 1.00 0.02 N ATOM 0 H ASN A 60 34.088 13.812 -6.471 1.00 0.01 H new ATOM 0 HA ASN A 60 34.253 14.081 -9.378 1.00 0.02 H new ATOM 0 HB2 ASN A 60 36.574 14.031 -9.044 1.00 0.01 H new ATOM 0 HB3 ASN A 60 35.995 14.739 -7.549 1.00 0.01 H new ATOM 0 HD21 ASN A 60 38.409 11.867 -6.785 1.00 0.02 H new ATOM 0 HD22 ASN A 60 38.525 13.305 -7.805 1.00 0.02 H new ATOM 888 N GLY A 61 34.117 11.100 -8.052 1.00 0.01 N ATOM 889 CA GLY A 61 33.991 9.655 -8.421 1.00 0.01 C ATOM 890 C GLY A 61 35.268 8.895 -8.044 1.00 0.02 C ATOM 891 O GLY A 61 35.415 7.730 -8.355 1.00 0.02 O ATOM 0 H GLY A 61 33.930 11.312 -7.072 1.00 0.01 H new ATOM 0 HA2 GLY A 61 33.134 9.216 -7.910 1.00 0.01 H new ATOM 0 HA3 GLY A 61 33.806 9.561 -9.491 1.00 0.01 H new ATOM 895 N THR A 62 36.196 9.537 -7.378 1.00 0.02 N ATOM 896 CA THR A 62 37.460 8.832 -6.990 1.00 0.02 C ATOM 897 C THR A 62 37.946 9.346 -5.634 1.00 0.02 C ATOM 898 O THR A 62 37.465 10.332 -5.115 1.00 0.02 O ATOM 899 CB THR A 62 38.539 9.091 -8.043 1.00 0.02 C ATOM 900 OG1 THR A 62 38.749 10.490 -8.167 1.00 0.02 O ATOM 901 CG2 THR A 62 38.096 8.519 -9.390 1.00 0.02 C ATOM 0 H THR A 62 36.135 10.513 -7.087 1.00 0.02 H new ATOM 0 HA THR A 62 37.263 7.762 -6.923 1.00 0.02 H new ATOM 0 HB THR A 62 39.467 8.607 -7.737 1.00 0.02 H new ATOM 0 HG1 THR A 62 38.284 10.821 -8.963 1.00 0.02 H new ATOM 0 HG21 THR A 62 38.868 8.706 -10.136 1.00 0.02 H new ATOM 0 HG22 THR A 62 37.936 7.445 -9.294 1.00 0.02 H new ATOM 0 HG23 THR A 62 37.167 8.998 -9.701 1.00 0.02 H new ATOM 909 N ILE A 63 38.899 8.660 -5.055 1.00 0.01 N ATOM 910 CA ILE A 63 39.438 9.064 -3.720 1.00 0.02 C ATOM 911 C ILE A 63 40.823 9.692 -3.887 1.00 0.02 C ATOM 912 O ILE A 63 41.707 9.135 -4.507 1.00 0.01 O ATOM 913 CB ILE A 63 39.560 7.825 -2.821 1.00 0.02 C ATOM 914 CG1 ILE A 63 38.234 7.051 -2.810 1.00 0.02 C ATOM 915 CG2 ILE A 63 39.901 8.253 -1.388 1.00 0.00 C ATOM 916 CD1 ILE A 63 38.432 5.687 -2.136 1.00 0.02 C ATOM 0 H ILE A 63 39.332 7.827 -5.455 1.00 0.01 H new ATOM 0 HA ILE A 63 38.760 9.788 -3.268 1.00 0.02 H new ATOM 0 HB ILE A 63 40.352 7.186 -3.212 1.00 0.02 H new ATOM 0 HG12 ILE A 63 37.474 7.623 -2.278 1.00 0.02 H new ATOM 0 HG13 ILE A 63 37.874 6.914 -3.830 1.00 0.02 H new ATOM 0 HG21 ILE A 63 39.986 7.370 -0.755 1.00 0.00 H new ATOM 0 HG22 ILE A 63 40.847 8.794 -1.385 1.00 0.00 H new ATOM 0 HG23 ILE A 63 39.112 8.900 -1.004 1.00 0.00 H new ATOM 0 HD11 ILE A 63 37.488 5.143 -2.131 1.00 0.02 H new ATOM 0 HD12 ILE A 63 39.178 5.114 -2.686 1.00 0.02 H new ATOM 0 HD13 ILE A 63 38.771 5.834 -1.111 1.00 0.02 H new ATOM 928 N ASP A 64 41.001 10.859 -3.317 1.00 0.01 N ATOM 929 CA ASP A 64 42.321 11.564 -3.409 1.00 0.01 C ATOM 930 C ASP A 64 43.068 11.403 -2.080 1.00 0.02 C ATOM 931 O ASP A 64 42.878 10.439 -1.366 1.00 0.02 O ATOM 932 CB ASP A 64 42.089 13.046 -3.715 1.00 0.01 C ATOM 933 CG ASP A 64 41.176 13.649 -2.649 1.00 0.02 C ATOM 934 OD1 ASP A 64 41.373 13.333 -1.487 1.00 0.01 O ATOM 935 OD2 ASP A 64 40.298 14.414 -3.010 1.00 0.01 O ATOM 0 H ASP A 64 40.285 11.357 -2.788 1.00 0.01 H new ATOM 0 HA ASP A 64 42.920 11.132 -4.210 1.00 0.01 H new ATOM 0 HB2 ASP A 64 43.041 13.577 -3.737 1.00 0.01 H new ATOM 0 HB3 ASP A 64 41.638 13.159 -4.701 1.00 0.01 H new ATOM 940 N PHE A 65 43.918 12.335 -1.743 1.00 0.02 N ATOM 941 CA PHE A 65 44.675 12.224 -0.464 1.00 0.01 C ATOM 942 C PHE A 65 43.746 12.541 0.730 1.00 0.03 C ATOM 943 O PHE A 65 43.518 11.688 1.566 1.00 0.02 O ATOM 944 CB PHE A 65 45.897 13.170 -0.514 1.00 0.00 C ATOM 945 CG PHE A 65 46.321 13.588 0.881 1.00 0.02 C ATOM 946 CD1 PHE A 65 46.365 12.641 1.912 1.00 0.01 C ATOM 947 CD2 PHE A 65 46.669 14.920 1.139 1.00 0.00 C ATOM 948 CE1 PHE A 65 46.757 13.025 3.200 1.00 0.02 C ATOM 949 CE2 PHE A 65 47.061 15.304 2.427 1.00 0.02 C ATOM 950 CZ PHE A 65 47.105 14.357 3.457 1.00 0.02 C ATOM 0 H PHE A 65 44.120 13.167 -2.297 1.00 0.02 H new ATOM 0 HA PHE A 65 45.039 11.205 -0.329 1.00 0.01 H new ATOM 0 HB2 PHE A 65 46.726 12.671 -1.016 1.00 0.00 H new ATOM 0 HB3 PHE A 65 45.653 14.054 -1.103 1.00 0.00 H new ATOM 0 HD1 PHE A 65 46.096 11.614 1.713 1.00 0.01 H new ATOM 0 HD2 PHE A 65 46.635 15.651 0.344 1.00 0.00 H new ATOM 0 HE1 PHE A 65 46.791 12.295 3.995 1.00 0.02 H new ATOM 0 HE2 PHE A 65 47.329 16.331 2.626 1.00 0.02 H new ATOM 0 HZ PHE A 65 47.407 14.654 4.450 1.00 0.02 H new ATOM 960 N PRO A 66 43.210 13.741 0.830 1.00 0.02 N ATOM 961 CA PRO A 66 42.305 14.108 1.965 1.00 0.02 C ATOM 962 C PRO A 66 41.099 13.165 2.059 1.00 0.01 C ATOM 963 O PRO A 66 40.640 12.819 3.133 1.00 0.01 O ATOM 964 CB PRO A 66 41.864 15.554 1.646 1.00 0.02 C ATOM 965 CG PRO A 66 42.170 15.745 0.193 1.00 0.01 C ATOM 966 CD PRO A 66 43.388 14.872 -0.095 1.00 0.02 C ATOM 0 HA PRO A 66 42.804 14.027 2.930 1.00 0.02 H new ATOM 0 HB2 PRO A 66 40.802 15.695 1.847 1.00 0.02 H new ATOM 0 HB3 PRO A 66 42.403 16.275 2.260 1.00 0.02 H new ATOM 0 HG2 PRO A 66 41.323 15.451 -0.427 1.00 0.01 H new ATOM 0 HG3 PRO A 66 42.378 16.792 -0.028 1.00 0.01 H new ATOM 0 HD2 PRO A 66 43.413 14.544 -1.134 1.00 0.02 H new ATOM 0 HD3 PRO A 66 44.320 15.405 0.093 1.00 0.02 H new ATOM 974 N GLU A 67 40.592 12.742 0.935 1.00 0.02 N ATOM 975 CA GLU A 67 39.426 11.822 0.941 1.00 0.01 C ATOM 976 C GLU A 67 39.873 10.460 1.472 1.00 0.02 C ATOM 977 O GLU A 67 39.208 9.844 2.281 1.00 0.02 O ATOM 978 CB GLU A 67 38.880 11.700 -0.480 1.00 0.02 C ATOM 979 CG GLU A 67 38.382 13.077 -0.931 1.00 0.01 C ATOM 980 CD GLU A 67 37.937 13.020 -2.390 1.00 0.01 C ATOM 981 OE1 GLU A 67 38.266 12.055 -3.056 1.00 0.02 O ATOM 982 OE2 GLU A 67 37.264 13.943 -2.820 1.00 0.00 O ATOM 0 H GLU A 67 40.938 12.996 0.010 1.00 0.02 H new ATOM 0 HA GLU A 67 38.636 12.208 1.585 1.00 0.01 H new ATOM 0 HB2 GLU A 67 39.657 11.339 -1.154 1.00 0.02 H new ATOM 0 HB3 GLU A 67 38.067 10.974 -0.512 1.00 0.02 H new ATOM 0 HG2 GLU A 67 37.552 13.397 -0.301 1.00 0.01 H new ATOM 0 HG3 GLU A 67 39.174 13.816 -0.813 1.00 0.01 H new ATOM 989 N PHE A 68 41.010 9.995 1.027 1.00 0.01 N ATOM 990 CA PHE A 68 41.516 8.684 1.513 1.00 0.02 C ATOM 991 C PHE A 68 41.840 8.815 2.999 1.00 0.02 C ATOM 992 O PHE A 68 41.650 7.896 3.771 1.00 0.02 O ATOM 993 CB PHE A 68 42.776 8.282 0.741 1.00 0.01 C ATOM 994 CG PHE A 68 43.257 6.939 1.239 1.00 0.02 C ATOM 995 CD1 PHE A 68 42.452 5.805 1.065 1.00 0.02 C ATOM 996 CD2 PHE A 68 44.500 6.823 1.875 1.00 0.02 C ATOM 997 CE1 PHE A 68 42.889 4.559 1.527 1.00 0.02 C ATOM 998 CE2 PHE A 68 44.935 5.576 2.337 1.00 0.02 C ATOM 999 CZ PHE A 68 44.128 4.444 2.163 1.00 0.00 C ATOM 0 H PHE A 68 41.608 10.468 0.349 1.00 0.01 H new ATOM 0 HA PHE A 68 40.759 7.916 1.358 1.00 0.02 H new ATOM 0 HB2 PHE A 68 42.562 8.232 -0.327 1.00 0.01 H new ATOM 0 HB3 PHE A 68 43.554 9.033 0.875 1.00 0.01 H new ATOM 0 HD1 PHE A 68 41.494 5.893 0.574 1.00 0.02 H new ATOM 0 HD2 PHE A 68 45.122 7.696 2.009 1.00 0.02 H new ATOM 0 HE1 PHE A 68 42.268 3.685 1.392 1.00 0.02 H new ATOM 0 HE2 PHE A 68 45.893 5.486 2.828 1.00 0.02 H new ATOM 0 HZ PHE A 68 44.464 3.482 2.521 1.00 0.00 H new ATOM 1009 N LEU A 69 42.308 9.962 3.410 1.00 0.02 N ATOM 1010 CA LEU A 69 42.622 10.172 4.848 1.00 0.02 C ATOM 1011 C LEU A 69 41.347 9.932 5.652 1.00 0.02 C ATOM 1012 O LEU A 69 41.332 9.196 6.620 1.00 0.02 O ATOM 1013 CB LEU A 69 43.109 11.614 5.049 1.00 0.02 C ATOM 1014 CG LEU A 69 43.182 11.959 6.542 1.00 0.01 C ATOM 1015 CD1 LEU A 69 43.995 10.897 7.287 1.00 0.02 C ATOM 1016 CD2 LEU A 69 43.858 13.324 6.705 1.00 0.02 C ATOM 0 H LEU A 69 42.486 10.765 2.807 1.00 0.02 H new ATOM 0 HA LEU A 69 43.402 9.487 5.179 1.00 0.02 H new ATOM 0 HB2 LEU A 69 44.092 11.738 4.594 1.00 0.02 H new ATOM 0 HB3 LEU A 69 42.434 12.305 4.544 1.00 0.02 H new ATOM 0 HG LEU A 69 42.174 11.989 6.956 1.00 0.01 H new ATOM 0 HD11 LEU A 69 44.041 11.151 8.346 1.00 0.02 H new ATOM 0 HD12 LEU A 69 43.519 9.924 7.167 1.00 0.02 H new ATOM 0 HD13 LEU A 69 45.005 10.859 6.879 1.00 0.02 H new ATOM 0 HD21 LEU A 69 43.914 13.578 7.763 1.00 0.02 H new ATOM 0 HD22 LEU A 69 44.864 13.284 6.287 1.00 0.02 H new ATOM 0 HD23 LEU A 69 43.277 14.083 6.180 1.00 0.02 H new ATOM 1028 N THR A 70 40.274 10.560 5.255 1.00 0.02 N ATOM 1029 CA THR A 70 38.990 10.391 5.988 1.00 0.01 C ATOM 1030 C THR A 70 38.565 8.917 5.981 1.00 0.02 C ATOM 1031 O THR A 70 38.218 8.342 6.996 1.00 0.02 O ATOM 1032 CB THR A 70 37.909 11.222 5.293 1.00 0.13 C ATOM 1033 OG1 THR A 70 37.800 10.813 3.936 1.00 0.18 O ATOM 1034 CG2 THR A 70 38.282 12.703 5.354 1.00 0.11 C ATOM 0 H THR A 70 40.233 11.186 4.450 1.00 0.02 H new ATOM 0 HA THR A 70 39.121 10.721 7.019 1.00 0.01 H new ATOM 0 HB THR A 70 36.954 11.071 5.796 1.00 0.13 H new ATOM 0 HG1 THR A 70 38.695 10.665 3.566 1.00 0.18 H new ATOM 0 HG21 THR A 70 37.511 13.293 4.859 1.00 0.11 H new ATOM 0 HG22 THR A 70 38.365 13.015 6.395 1.00 0.11 H new ATOM 0 HG23 THR A 70 39.237 12.859 4.852 1.00 0.11 H new ATOM 1042 N MET A 71 38.581 8.319 4.819 1.00 0.02 N ATOM 1043 CA MET A 71 38.170 6.893 4.681 1.00 0.02 C ATOM 1044 C MET A 71 38.970 6.009 5.638 1.00 0.02 C ATOM 1045 O MET A 71 38.415 5.230 6.385 1.00 0.02 O ATOM 1046 CB MET A 71 38.414 6.440 3.233 1.00 0.28 C ATOM 1047 CG MET A 71 38.165 4.929 3.090 1.00 0.67 C ATOM 1048 SD MET A 71 36.532 4.496 3.744 1.00 1.89 S ATOM 1049 CE MET A 71 36.620 2.718 3.420 1.00 2.60 C ATOM 0 H MET A 71 38.866 8.766 3.948 1.00 0.02 H new ATOM 0 HA MET A 71 37.112 6.801 4.928 1.00 0.02 H new ATOM 0 HB2 MET A 71 37.756 6.988 2.559 1.00 0.28 H new ATOM 0 HB3 MET A 71 39.437 6.675 2.940 1.00 0.28 H new ATOM 0 HG2 MET A 71 38.232 4.640 2.041 1.00 0.67 H new ATOM 0 HG3 MET A 71 38.937 4.374 3.624 1.00 0.67 H new ATOM 0 HE1 MET A 71 35.698 2.242 3.752 1.00 2.60 H new ATOM 0 HE2 MET A 71 36.751 2.549 2.351 1.00 2.60 H new ATOM 0 HE3 MET A 71 37.464 2.291 3.961 1.00 2.60 H new ATOM 1059 N MET A 72 40.269 6.107 5.613 1.00 0.00 N ATOM 1060 CA MET A 72 41.083 5.249 6.516 1.00 0.02 C ATOM 1061 C MET A 72 40.755 5.562 7.977 1.00 0.02 C ATOM 1062 O MET A 72 40.725 4.684 8.816 1.00 0.02 O ATOM 1063 CB MET A 72 42.575 5.465 6.259 1.00 0.02 C ATOM 1064 CG MET A 72 42.976 4.819 4.931 1.00 0.02 C ATOM 1065 SD MET A 72 42.838 3.015 5.054 1.00 0.02 S ATOM 1066 CE MET A 72 44.149 2.751 6.275 1.00 0.02 C ATOM 0 H MET A 72 40.799 6.738 5.012 1.00 0.00 H new ATOM 0 HA MET A 72 40.841 4.206 6.312 1.00 0.02 H new ATOM 0 HB2 MET A 72 42.798 6.532 6.236 1.00 0.02 H new ATOM 0 HB3 MET A 72 43.159 5.035 7.073 1.00 0.02 H new ATOM 0 HG2 MET A 72 42.336 5.187 4.130 1.00 0.02 H new ATOM 0 HG3 MET A 72 43.998 5.097 4.675 1.00 0.02 H new ATOM 0 HE1 MET A 72 44.599 1.770 6.120 1.00 0.02 H new ATOM 0 HE2 MET A 72 44.912 3.522 6.162 1.00 0.02 H new ATOM 0 HE3 MET A 72 43.727 2.802 7.279 1.00 0.02 H new ATOM 1076 N ALA A 73 40.496 6.804 8.290 1.00 0.01 N ATOM 1077 CA ALA A 73 40.156 7.166 9.694 1.00 0.02 C ATOM 1078 C ALA A 73 38.870 6.443 10.098 1.00 0.01 C ATOM 1079 O ALA A 73 38.691 6.051 11.233 1.00 0.02 O ATOM 1080 CB ALA A 73 39.945 8.678 9.795 1.00 0.01 C ATOM 0 H ALA A 73 40.506 7.583 7.632 1.00 0.01 H new ATOM 0 HA ALA A 73 40.969 6.871 10.358 1.00 0.02 H new ATOM 0 HB1 ALA A 73 39.696 8.943 10.823 1.00 0.01 H new ATOM 0 HB2 ALA A 73 40.859 9.193 9.499 1.00 0.01 H new ATOM 0 HB3 ALA A 73 39.130 8.976 9.136 1.00 0.01 H new ATOM 1086 N ARG A 74 37.971 6.274 9.165 1.00 0.02 N ATOM 1087 CA ARG A 74 36.684 5.587 9.469 1.00 0.01 C ATOM 1088 C ARG A 74 36.933 4.108 9.784 1.00 0.00 C ATOM 1089 O ARG A 74 36.150 3.472 10.462 1.00 0.02 O ATOM 1090 CB ARG A 74 35.754 5.691 8.257 1.00 0.02 C ATOM 1091 CG ARG A 74 35.264 7.136 8.107 1.00 0.00 C ATOM 1092 CD ARG A 74 34.226 7.228 6.972 1.00 0.01 C ATOM 1093 NE ARG A 74 34.351 8.550 6.279 1.00 0.00 N ATOM 1094 CZ ARG A 74 34.401 9.669 6.953 1.00 0.01 C ATOM 1095 NH1 ARG A 74 34.162 9.682 8.235 1.00 0.01 N ATOM 1096 NH2 ARG A 74 34.634 10.791 6.328 1.00 0.02 N ATOM 0 H ARG A 74 38.075 6.585 8.199 1.00 0.02 H new ATOM 0 HA ARG A 74 36.225 6.065 10.335 1.00 0.01 H new ATOM 0 HB2 ARG A 74 36.280 5.379 7.355 1.00 0.02 H new ATOM 0 HB3 ARG A 74 34.904 5.019 8.379 1.00 0.02 H new ATOM 0 HG2 ARG A 74 34.822 7.477 9.043 1.00 0.00 H new ATOM 0 HG3 ARG A 74 36.107 7.794 7.894 1.00 0.00 H new ATOM 0 HD2 ARG A 74 34.379 6.417 6.260 1.00 0.01 H new ATOM 0 HD3 ARG A 74 33.220 7.112 7.376 1.00 0.01 H new ATOM 0 HE ARG A 74 34.398 8.578 5.260 1.00 0.00 H new ATOM 0 HH11 ARG A 74 33.934 8.814 8.720 1.00 0.01 H new ATOM 0 HH12 ARG A 74 34.203 10.560 8.753 1.00 0.01 H new ATOM 0 HH21 ARG A 74 34.776 10.792 5.318 1.00 0.02 H new ATOM 0 HH22 ARG A 74 34.674 11.667 6.850 1.00 0.02 H new ATOM 1110 N LYS A 75 38.000 3.547 9.285 1.00 0.00 N ATOM 1111 CA LYS A 75 38.266 2.105 9.549 1.00 0.01 C ATOM 1112 C LYS A 75 38.640 1.893 11.017 1.00 0.02 C ATOM 1113 O LYS A 75 38.458 0.828 11.572 1.00 0.02 O ATOM 1114 CB LYS A 75 39.397 1.612 8.645 1.00 0.01 C ATOM 1115 CG LYS A 75 39.502 0.089 8.739 1.00 0.01 C ATOM 1116 CD LYS A 75 40.651 -0.397 7.854 1.00 0.00 C ATOM 1117 CE LYS A 75 40.663 -1.926 7.827 1.00 0.02 C ATOM 1118 NZ LYS A 75 41.085 -2.442 9.160 1.00 0.02 N ATOM 0 H LYS A 75 38.695 4.022 8.709 1.00 0.00 H new ATOM 0 HA LYS A 75 37.362 1.536 9.334 1.00 0.01 H new ATOM 0 HB2 LYS A 75 39.208 1.911 7.614 1.00 0.01 H new ATOM 0 HB3 LYS A 75 40.340 2.071 8.942 1.00 0.01 H new ATOM 0 HG2 LYS A 75 39.672 -0.212 9.773 1.00 0.01 H new ATOM 0 HG3 LYS A 75 38.566 -0.371 8.423 1.00 0.01 H new ATOM 0 HD2 LYS A 75 40.536 -0.006 6.843 1.00 0.00 H new ATOM 0 HD3 LYS A 75 41.601 -0.022 8.235 1.00 0.00 H new ATOM 0 HE2 LYS A 75 39.672 -2.304 7.576 1.00 0.02 H new ATOM 0 HE3 LYS A 75 41.345 -2.282 7.055 1.00 0.02 H new ATOM 0 HZ1 LYS A 75 41.258 -3.466 9.097 1.00 0.02 H new ATOM 0 HZ2 LYS A 75 41.958 -1.961 9.458 1.00 0.02 H new ATOM 0 HZ3 LYS A 75 40.334 -2.260 9.856 1.00 0.02 H new