USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 555 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 Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0729 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -4.55! C(o=-4.6!,f=-7.2!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0.0772 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 153:sc= -0.442 (180deg=-1.77!) USER MOD Single : A 111 THR OG1 : rot -11:sc= 0.0633 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot 180:sc= 0.0905 USER MOD Single : A 134 ASN : amide:sc= -0.161 X(o=-0.16,f=0.11) USER MOD Single : A 139 TYR OH : rot 0:sc= -0.678 USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 149 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 80 176.099 15.861 -10.597 1.00 0.00 N ATOM 2 CA LYS A 80 176.140 16.720 -9.379 1.00 0.00 C ATOM 3 C LYS A 80 175.020 16.321 -8.413 1.00 0.00 C ATOM 4 O LYS A 80 174.009 16.986 -8.296 1.00 0.00 O ATOM 5 CB LYS A 80 175.920 18.144 -9.890 1.00 0.00 C ATOM 6 CG LYS A 80 177.068 18.537 -10.822 1.00 0.00 C ATOM 7 CD LYS A 80 176.860 19.973 -11.308 1.00 0.00 C ATOM 8 CE LYS A 80 177.833 20.273 -12.451 1.00 0.00 C ATOM 9 NZ LYS A 80 177.614 21.711 -12.777 1.00 0.00 N ATOM 0 HA LYS A 80 177.080 16.621 -8.837 1.00 0.00 H new ATOM 0 HB2 LYS A 80 174.970 18.208 -10.420 1.00 0.00 H new ATOM 0 HB3 LYS A 80 175.865 18.838 -9.051 1.00 0.00 H new ATOM 0 HG2 LYS A 80 178.021 18.453 -10.299 1.00 0.00 H new ATOM 0 HG3 LYS A 80 177.110 17.856 -11.672 1.00 0.00 H new ATOM 0 HD2 LYS A 80 175.833 20.108 -11.646 1.00 0.00 H new ATOM 0 HD3 LYS A 80 177.020 20.672 -10.487 1.00 0.00 H new ATOM 0 HE2 LYS A 80 178.864 20.089 -12.150 1.00 0.00 H new ATOM 0 HE3 LYS A 80 177.635 19.638 -13.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 178.247 21.991 -13.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 176.626 21.855 -13.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 177.817 22.292 -11.938 1.00 0.00 H new ATOM 23 N ALA A 81 175.211 15.229 -7.722 1.00 0.00 N ATOM 24 CA ALA A 81 174.193 14.739 -6.749 1.00 0.00 C ATOM 25 C ALA A 81 174.711 14.904 -5.317 1.00 0.00 C ATOM 26 O ALA A 81 175.900 15.039 -5.098 1.00 0.00 O ATOM 27 CB ALA A 81 174.030 13.256 -7.079 1.00 0.00 C ATOM 0 H ALA A 81 176.045 14.646 -7.793 1.00 0.00 H new ATOM 0 HA ALA A 81 173.254 15.288 -6.817 1.00 0.00 H new ATOM 0 HB1 ALA A 81 173.295 12.812 -6.407 1.00 0.00 H new ATOM 0 HB2 ALA A 81 173.692 13.148 -8.110 1.00 0.00 H new ATOM 0 HB3 ALA A 81 174.987 12.749 -6.956 1.00 0.00 H new ATOM 33 N LYS A 82 173.832 14.910 -4.345 1.00 0.00 N ATOM 34 CA LYS A 82 174.280 15.085 -2.935 1.00 0.00 C ATOM 35 C LYS A 82 174.111 13.792 -2.137 1.00 0.00 C ATOM 36 O LYS A 82 173.362 12.906 -2.501 1.00 0.00 O ATOM 37 CB LYS A 82 173.380 16.185 -2.371 1.00 0.00 C ATOM 38 CG LYS A 82 173.666 17.499 -3.101 1.00 0.00 C ATOM 39 CD LYS A 82 172.768 18.603 -2.540 1.00 0.00 C ATOM 40 CE LYS A 82 173.056 19.916 -3.271 1.00 0.00 C ATOM 41 NZ LYS A 82 172.459 20.974 -2.409 1.00 0.00 N ATOM 0 H LYS A 82 172.826 14.801 -4.470 1.00 0.00 H new ATOM 0 HA LYS A 82 175.337 15.343 -2.876 1.00 0.00 H new ATOM 0 HB2 LYS A 82 172.332 15.910 -2.491 1.00 0.00 H new ATOM 0 HB3 LYS A 82 173.558 16.304 -1.302 1.00 0.00 H new ATOM 0 HG2 LYS A 82 174.714 17.773 -2.981 1.00 0.00 H new ATOM 0 HG3 LYS A 82 173.488 17.379 -4.170 1.00 0.00 H new ATOM 0 HD2 LYS A 82 171.720 18.330 -2.660 1.00 0.00 H new ATOM 0 HD3 LYS A 82 172.946 18.723 -1.471 1.00 0.00 H new ATOM 0 HE2 LYS A 82 174.127 20.070 -3.400 1.00 0.00 H new ATOM 0 HE3 LYS A 82 172.611 19.920 -4.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 172.616 21.906 -2.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 171.438 20.806 -2.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 172.907 20.951 -1.470 1.00 0.00 H new ATOM 55 N THR A 83 174.824 13.696 -1.042 1.00 0.00 N ATOM 56 CA THR A 83 174.747 12.475 -0.176 1.00 0.00 C ATOM 57 C THR A 83 173.280 12.148 0.129 1.00 0.00 C ATOM 58 O THR A 83 172.903 11.007 0.300 1.00 0.00 O ATOM 59 CB THR A 83 175.494 12.849 1.105 1.00 0.00 C ATOM 60 OG1 THR A 83 176.678 13.559 0.770 1.00 0.00 O ATOM 61 CG2 THR A 83 175.861 11.578 1.875 1.00 0.00 C ATOM 0 H THR A 83 175.462 14.417 -0.707 1.00 0.00 H new ATOM 0 HA THR A 83 175.180 11.596 -0.653 1.00 0.00 H new ATOM 0 HB THR A 83 174.856 13.476 1.727 1.00 0.00 H new ATOM 0 HG1 THR A 83 177.157 13.801 1.590 1.00 0.00 H new ATOM 0 HG21 THR A 83 176.393 11.846 2.788 1.00 0.00 H new ATOM 0 HG22 THR A 83 174.953 11.033 2.132 1.00 0.00 H new ATOM 0 HG23 THR A 83 176.499 10.948 1.255 1.00 0.00 H new ATOM 69 N GLU A 84 172.456 13.162 0.192 1.00 0.00 N ATOM 70 CA GLU A 84 170.999 12.963 0.478 1.00 0.00 C ATOM 71 C GLU A 84 170.387 11.907 -0.452 1.00 0.00 C ATOM 72 O GLU A 84 169.536 11.134 -0.052 1.00 0.00 O ATOM 73 CB GLU A 84 170.365 14.327 0.198 1.00 0.00 C ATOM 74 CG GLU A 84 170.801 15.323 1.276 1.00 0.00 C ATOM 75 CD GLU A 84 170.172 16.694 1.003 1.00 0.00 C ATOM 76 OE1 GLU A 84 169.107 16.732 0.407 1.00 0.00 O ATOM 77 OE2 GLU A 84 170.767 17.684 1.397 1.00 0.00 O ATOM 0 H GLU A 84 172.733 14.134 0.056 1.00 0.00 H new ATOM 0 HA GLU A 84 170.833 12.613 1.497 1.00 0.00 H new ATOM 0 HB2 GLU A 84 170.666 14.685 -0.786 1.00 0.00 H new ATOM 0 HB3 GLU A 84 169.279 14.240 0.186 1.00 0.00 H new ATOM 0 HG2 GLU A 84 170.499 14.964 2.260 1.00 0.00 H new ATOM 0 HG3 GLU A 84 171.888 15.407 1.288 1.00 0.00 H new ATOM 84 N ASP A 85 170.821 11.870 -1.684 1.00 0.00 N ATOM 85 CA ASP A 85 170.273 10.862 -2.642 1.00 0.00 C ATOM 86 C ASP A 85 170.662 9.454 -2.188 1.00 0.00 C ATOM 87 O ASP A 85 169.854 8.545 -2.182 1.00 0.00 O ATOM 88 CB ASP A 85 170.920 11.190 -3.990 1.00 0.00 C ATOM 89 CG ASP A 85 170.144 10.498 -5.112 1.00 0.00 C ATOM 90 OD1 ASP A 85 170.468 9.363 -5.416 1.00 0.00 O ATOM 91 OD2 ASP A 85 169.237 11.116 -5.645 1.00 0.00 O ATOM 0 H ASP A 85 171.531 12.493 -2.069 1.00 0.00 H new ATOM 0 HA ASP A 85 169.185 10.895 -2.702 1.00 0.00 H new ATOM 0 HB2 ASP A 85 170.926 12.268 -4.149 1.00 0.00 H new ATOM 0 HB3 ASP A 85 171.959 10.861 -3.996 1.00 0.00 H new ATOM 96 N PHE A 86 171.899 9.276 -1.809 1.00 0.00 N ATOM 97 CA PHE A 86 172.370 7.934 -1.351 1.00 0.00 C ATOM 98 C PHE A 86 171.887 7.635 0.076 1.00 0.00 C ATOM 99 O PHE A 86 171.514 6.519 0.385 1.00 0.00 O ATOM 100 CB PHE A 86 173.906 8.012 -1.387 1.00 0.00 C ATOM 101 CG PHE A 86 174.458 6.906 -2.258 1.00 0.00 C ATOM 102 CD1 PHE A 86 174.324 6.976 -3.650 1.00 0.00 C ATOM 103 CD2 PHE A 86 175.101 5.810 -1.671 1.00 0.00 C ATOM 104 CE1 PHE A 86 174.834 5.949 -4.454 1.00 0.00 C ATOM 105 CE2 PHE A 86 175.611 4.785 -2.474 1.00 0.00 C ATOM 106 CZ PHE A 86 175.477 4.855 -3.865 1.00 0.00 C ATOM 0 H PHE A 86 172.610 10.008 -1.797 1.00 0.00 H new ATOM 0 HA PHE A 86 171.980 7.137 -1.984 1.00 0.00 H new ATOM 0 HB2 PHE A 86 174.220 8.982 -1.773 1.00 0.00 H new ATOM 0 HB3 PHE A 86 174.307 7.926 -0.377 1.00 0.00 H new ATOM 0 HD1 PHE A 86 173.828 7.821 -4.103 1.00 0.00 H new ATOM 0 HD2 PHE A 86 175.203 5.756 -0.597 1.00 0.00 H new ATOM 0 HE1 PHE A 86 174.731 6.001 -5.528 1.00 0.00 H new ATOM 0 HE2 PHE A 86 176.108 3.940 -2.021 1.00 0.00 H new ATOM 0 HZ PHE A 86 175.871 4.063 -4.485 1.00 0.00 H new ATOM 116 N VAL A 87 171.926 8.609 0.954 1.00 0.00 N ATOM 117 CA VAL A 87 171.507 8.359 2.371 1.00 0.00 C ATOM 118 C VAL A 87 170.022 7.981 2.447 1.00 0.00 C ATOM 119 O VAL A 87 169.664 6.983 3.039 1.00 0.00 O ATOM 120 CB VAL A 87 171.768 9.684 3.105 1.00 0.00 C ATOM 121 CG1 VAL A 87 171.363 9.555 4.579 1.00 0.00 C ATOM 122 CG2 VAL A 87 173.259 10.032 3.018 1.00 0.00 C ATOM 0 H VAL A 87 172.228 9.562 0.753 1.00 0.00 H new ATOM 0 HA VAL A 87 172.057 7.529 2.815 1.00 0.00 H new ATOM 0 HB VAL A 87 171.178 10.472 2.637 1.00 0.00 H new ATOM 0 HG11 VAL A 87 171.551 10.498 5.092 1.00 0.00 H new ATOM 0 HG12 VAL A 87 170.303 9.311 4.645 1.00 0.00 H new ATOM 0 HG13 VAL A 87 171.947 8.764 5.049 1.00 0.00 H new ATOM 0 HG21 VAL A 87 173.444 10.972 3.538 1.00 0.00 H new ATOM 0 HG22 VAL A 87 173.845 9.239 3.482 1.00 0.00 H new ATOM 0 HG23 VAL A 87 173.549 10.133 1.972 1.00 0.00 H new ATOM 132 N LYS A 88 169.160 8.783 1.872 1.00 0.00 N ATOM 133 CA LYS A 88 167.688 8.491 1.931 1.00 0.00 C ATOM 134 C LYS A 88 167.369 7.095 1.385 1.00 0.00 C ATOM 135 O LYS A 88 166.429 6.453 1.812 1.00 0.00 O ATOM 136 CB LYS A 88 167.033 9.561 1.055 1.00 0.00 C ATOM 137 CG LYS A 88 165.515 9.511 1.242 1.00 0.00 C ATOM 138 CD LYS A 88 164.857 10.580 0.368 1.00 0.00 C ATOM 139 CE LYS A 88 163.371 10.682 0.718 1.00 0.00 C ATOM 140 NZ LYS A 88 162.729 11.260 -0.495 1.00 0.00 N ATOM 0 H LYS A 88 169.410 9.630 1.362 1.00 0.00 H new ATOM 0 HA LYS A 88 167.323 8.509 2.958 1.00 0.00 H new ATOM 0 HB2 LYS A 88 167.411 10.548 1.323 1.00 0.00 H new ATOM 0 HB3 LYS A 88 167.287 9.395 0.008 1.00 0.00 H new ATOM 0 HG2 LYS A 88 165.137 8.524 0.974 1.00 0.00 H new ATOM 0 HG3 LYS A 88 165.261 9.676 2.289 1.00 0.00 H new ATOM 0 HD2 LYS A 88 165.345 11.542 0.523 1.00 0.00 H new ATOM 0 HD3 LYS A 88 164.977 10.328 -0.686 1.00 0.00 H new ATOM 0 HE2 LYS A 88 162.954 9.704 0.957 1.00 0.00 H new ATOM 0 HE3 LYS A 88 163.213 11.318 1.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 161.707 11.361 -0.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 163.141 12.194 -0.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 162.890 10.630 -1.307 1.00 0.00 H new ATOM 154 N ALA A 89 168.128 6.640 0.426 1.00 0.00 N ATOM 155 CA ALA A 89 167.863 5.297 -0.184 1.00 0.00 C ATOM 156 C ALA A 89 168.140 4.147 0.794 1.00 0.00 C ATOM 157 O ALA A 89 167.407 3.175 0.825 1.00 0.00 O ATOM 158 CB ALA A 89 168.808 5.208 -1.389 1.00 0.00 C ATOM 0 H ALA A 89 168.926 7.140 0.034 1.00 0.00 H new ATOM 0 HA ALA A 89 166.814 5.201 -0.463 1.00 0.00 H new ATOM 0 HB1 ALA A 89 168.671 4.249 -1.888 1.00 0.00 H new ATOM 0 HB2 ALA A 89 168.585 6.015 -2.087 1.00 0.00 H new ATOM 0 HB3 ALA A 89 169.840 5.297 -1.049 1.00 0.00 H new ATOM 164 N PHE A 90 169.186 4.229 1.577 1.00 0.00 N ATOM 165 CA PHE A 90 169.497 3.120 2.529 1.00 0.00 C ATOM 166 C PHE A 90 168.628 3.216 3.783 1.00 0.00 C ATOM 167 O PHE A 90 167.946 2.283 4.160 1.00 0.00 O ATOM 168 CB PHE A 90 170.975 3.302 2.885 1.00 0.00 C ATOM 169 CG PHE A 90 171.833 2.658 1.822 1.00 0.00 C ATOM 170 CD1 PHE A 90 171.965 1.265 1.781 1.00 0.00 C ATOM 171 CD2 PHE A 90 172.499 3.453 0.878 1.00 0.00 C ATOM 172 CE1 PHE A 90 172.759 0.665 0.797 1.00 0.00 C ATOM 173 CE2 PHE A 90 173.293 2.852 -0.106 1.00 0.00 C ATOM 174 CZ PHE A 90 173.423 1.459 -0.146 1.00 0.00 C ATOM 0 H PHE A 90 169.837 5.014 1.598 1.00 0.00 H new ATOM 0 HA PHE A 90 169.297 2.143 2.089 1.00 0.00 H new ATOM 0 HB2 PHE A 90 171.213 4.363 2.966 1.00 0.00 H new ATOM 0 HB3 PHE A 90 171.184 2.854 3.856 1.00 0.00 H new ATOM 0 HD1 PHE A 90 171.454 0.653 2.509 1.00 0.00 H new ATOM 0 HD2 PHE A 90 172.399 4.528 0.910 1.00 0.00 H new ATOM 0 HE1 PHE A 90 172.860 -0.410 0.765 1.00 0.00 H new ATOM 0 HE2 PHE A 90 173.805 3.463 -0.834 1.00 0.00 H new ATOM 0 HZ PHE A 90 174.036 0.996 -0.905 1.00 0.00 H new ATOM 184 N GLN A 91 168.717 4.324 4.460 1.00 0.00 N ATOM 185 CA GLN A 91 167.978 4.509 5.745 1.00 0.00 C ATOM 186 C GLN A 91 166.493 4.116 5.663 1.00 0.00 C ATOM 187 O GLN A 91 165.930 3.660 6.642 1.00 0.00 O ATOM 188 CB GLN A 91 168.131 6.003 6.059 1.00 0.00 C ATOM 189 CG GLN A 91 167.343 6.848 5.050 1.00 0.00 C ATOM 190 CD GLN A 91 167.462 8.327 5.419 1.00 0.00 C ATOM 191 OE1 GLN A 91 168.523 8.907 5.316 1.00 0.00 O ATOM 192 NE2 GLN A 91 166.408 8.966 5.848 1.00 0.00 N ATOM 0 H GLN A 91 169.280 5.125 4.175 1.00 0.00 H new ATOM 0 HA GLN A 91 168.384 3.859 6.520 1.00 0.00 H new ATOM 0 HB2 GLN A 91 167.775 6.207 7.069 1.00 0.00 H new ATOM 0 HB3 GLN A 91 169.185 6.281 6.030 1.00 0.00 H new ATOM 0 HG2 GLN A 91 167.726 6.682 4.043 1.00 0.00 H new ATOM 0 HG3 GLN A 91 166.296 6.546 5.047 1.00 0.00 H new ATOM 0 HE21 GLN A 91 165.516 8.479 5.935 1.00 0.00 H new ATOM 0 HE22 GLN A 91 166.476 9.953 6.097 1.00 0.00 H new ATOM 201 N VAL A 92 165.843 4.294 4.535 1.00 0.00 N ATOM 202 CA VAL A 92 164.390 3.927 4.466 1.00 0.00 C ATOM 203 C VAL A 92 164.222 2.425 4.734 1.00 0.00 C ATOM 204 O VAL A 92 163.234 1.992 5.299 1.00 0.00 O ATOM 205 CB VAL A 92 163.907 4.308 3.062 1.00 0.00 C ATOM 206 CG1 VAL A 92 163.989 5.826 2.892 1.00 0.00 C ATOM 207 CG2 VAL A 92 164.779 3.635 1.997 1.00 0.00 C ATOM 0 H VAL A 92 166.245 4.669 3.676 1.00 0.00 H new ATOM 0 HA VAL A 92 163.801 4.452 5.218 1.00 0.00 H new ATOM 0 HB VAL A 92 162.877 3.973 2.941 1.00 0.00 H new ATOM 0 HG11 VAL A 92 163.646 6.099 1.894 1.00 0.00 H new ATOM 0 HG12 VAL A 92 163.359 6.310 3.638 1.00 0.00 H new ATOM 0 HG13 VAL A 92 165.021 6.152 3.023 1.00 0.00 H new ATOM 0 HG21 VAL A 92 164.424 3.915 1.005 1.00 0.00 H new ATOM 0 HG22 VAL A 92 165.813 3.958 2.116 1.00 0.00 H new ATOM 0 HG23 VAL A 92 164.721 2.552 2.111 1.00 0.00 H new ATOM 217 N PHE A 93 165.197 1.637 4.356 1.00 0.00 N ATOM 218 CA PHE A 93 165.122 0.166 4.611 1.00 0.00 C ATOM 219 C PHE A 93 165.349 -0.088 6.103 1.00 0.00 C ATOM 220 O PHE A 93 164.601 -0.819 6.726 1.00 0.00 O ATOM 221 CB PHE A 93 166.251 -0.446 3.778 1.00 0.00 C ATOM 222 CG PHE A 93 165.898 -1.871 3.421 1.00 0.00 C ATOM 223 CD1 PHE A 93 165.595 -2.793 4.429 1.00 0.00 C ATOM 224 CD2 PHE A 93 165.874 -2.267 2.079 1.00 0.00 C ATOM 225 CE1 PHE A 93 165.269 -4.113 4.096 1.00 0.00 C ATOM 226 CE2 PHE A 93 165.547 -3.587 1.745 1.00 0.00 C ATOM 227 CZ PHE A 93 165.244 -4.510 2.753 1.00 0.00 C ATOM 0 H PHE A 93 166.044 1.950 3.881 1.00 0.00 H new ATOM 0 HA PHE A 93 164.157 -0.265 4.343 1.00 0.00 H new ATOM 0 HB2 PHE A 93 166.407 0.139 2.872 1.00 0.00 H new ATOM 0 HB3 PHE A 93 167.186 -0.421 4.338 1.00 0.00 H new ATOM 0 HD1 PHE A 93 165.613 -2.486 5.464 1.00 0.00 H new ATOM 0 HD2 PHE A 93 166.108 -1.555 1.301 1.00 0.00 H new ATOM 0 HE1 PHE A 93 165.037 -4.825 4.874 1.00 0.00 H new ATOM 0 HE2 PHE A 93 165.529 -3.893 0.709 1.00 0.00 H new ATOM 0 HZ PHE A 93 164.991 -5.528 2.495 1.00 0.00 H new ATOM 237 N ASP A 94 166.377 0.486 6.680 1.00 0.00 N ATOM 238 CA ASP A 94 166.646 0.252 8.136 1.00 0.00 C ATOM 239 C ASP A 94 165.524 0.847 8.991 1.00 0.00 C ATOM 240 O ASP A 94 165.653 1.929 9.533 1.00 0.00 O ATOM 241 CB ASP A 94 167.973 0.960 8.423 1.00 0.00 C ATOM 242 CG ASP A 94 169.134 0.016 8.109 1.00 0.00 C ATOM 243 OD1 ASP A 94 169.151 -1.075 8.657 1.00 0.00 O ATOM 244 OD2 ASP A 94 169.988 0.398 7.325 1.00 0.00 O ATOM 0 H ASP A 94 167.039 1.103 6.210 1.00 0.00 H new ATOM 0 HA ASP A 94 166.694 -0.811 8.374 1.00 0.00 H new ATOM 0 HB2 ASP A 94 168.053 1.864 7.820 1.00 0.00 H new ATOM 0 HB3 ASP A 94 168.014 1.269 9.468 1.00 0.00 H new ATOM 249 N LYS A 95 164.422 0.150 9.108 1.00 0.00 N ATOM 250 CA LYS A 95 163.280 0.672 9.918 1.00 0.00 C ATOM 251 C LYS A 95 163.690 0.838 11.387 1.00 0.00 C ATOM 252 O LYS A 95 163.242 1.749 12.058 1.00 0.00 O ATOM 253 CB LYS A 95 162.164 -0.371 9.773 1.00 0.00 C ATOM 254 CG LYS A 95 162.628 -1.726 10.318 1.00 0.00 C ATOM 255 CD LYS A 95 161.855 -2.847 9.619 1.00 0.00 C ATOM 256 CE LYS A 95 161.895 -4.109 10.483 1.00 0.00 C ATOM 257 NZ LYS A 95 160.744 -4.930 10.013 1.00 0.00 N ATOM 0 H LYS A 95 164.264 -0.760 8.676 1.00 0.00 H new ATOM 0 HA LYS A 95 162.955 1.655 9.576 1.00 0.00 H new ATOM 0 HB2 LYS A 95 161.276 -0.040 10.311 1.00 0.00 H new ATOM 0 HB3 LYS A 95 161.883 -0.470 8.724 1.00 0.00 H new ATOM 0 HG2 LYS A 95 163.698 -1.850 10.153 1.00 0.00 H new ATOM 0 HG3 LYS A 95 162.464 -1.773 11.395 1.00 0.00 H new ATOM 0 HD2 LYS A 95 160.822 -2.541 9.451 1.00 0.00 H new ATOM 0 HD3 LYS A 95 162.291 -3.049 8.641 1.00 0.00 H new ATOM 0 HE2 LYS A 95 162.838 -4.643 10.360 1.00 0.00 H new ATOM 0 HE3 LYS A 95 161.802 -3.867 11.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 160.703 -5.815 10.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 159.860 -4.399 10.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 160.864 -5.151 9.004 1.00 0.00 H new ATOM 271 N GLU A 96 164.537 -0.027 11.893 1.00 0.00 N ATOM 272 CA GLU A 96 164.970 0.095 13.321 1.00 0.00 C ATOM 273 C GLU A 96 166.257 0.928 13.428 1.00 0.00 C ATOM 274 O GLU A 96 166.937 0.895 14.435 1.00 0.00 O ATOM 275 CB GLU A 96 165.225 -1.340 13.788 1.00 0.00 C ATOM 276 CG GLU A 96 163.939 -2.160 13.665 1.00 0.00 C ATOM 277 CD GLU A 96 164.030 -3.400 14.558 1.00 0.00 C ATOM 278 OE1 GLU A 96 164.662 -3.313 15.598 1.00 0.00 O ATOM 279 OE2 GLU A 96 163.464 -4.415 14.187 1.00 0.00 O ATOM 0 H GLU A 96 164.946 -0.809 11.381 1.00 0.00 H new ATOM 0 HA GLU A 96 164.218 0.597 13.930 1.00 0.00 H new ATOM 0 HB2 GLU A 96 166.015 -1.793 13.188 1.00 0.00 H new ATOM 0 HB3 GLU A 96 165.570 -1.340 14.822 1.00 0.00 H new ATOM 0 HG2 GLU A 96 163.081 -1.554 13.955 1.00 0.00 H new ATOM 0 HG3 GLU A 96 163.784 -2.457 12.628 1.00 0.00 H new ATOM 286 N SER A 97 166.573 1.696 12.408 1.00 0.00 N ATOM 287 CA SER A 97 167.790 2.577 12.408 1.00 0.00 C ATOM 288 C SER A 97 169.018 1.951 13.088 1.00 0.00 C ATOM 289 O SER A 97 169.797 2.647 13.714 1.00 0.00 O ATOM 290 CB SER A 97 167.360 3.846 13.140 1.00 0.00 C ATOM 291 OG SER A 97 166.360 4.511 12.381 1.00 0.00 O ATOM 0 H SER A 97 166.022 1.750 11.551 1.00 0.00 H new ATOM 0 HA SER A 97 168.115 2.758 11.383 1.00 0.00 H new ATOM 0 HB2 SER A 97 166.976 3.596 14.129 1.00 0.00 H new ATOM 0 HB3 SER A 97 168.217 4.503 13.287 1.00 0.00 H new ATOM 0 HG SER A 97 166.081 5.325 12.850 1.00 0.00 H new ATOM 297 N THR A 98 169.207 0.658 12.968 1.00 0.00 N ATOM 298 CA THR A 98 170.402 0.025 13.611 1.00 0.00 C ATOM 299 C THR A 98 171.677 0.579 12.967 1.00 0.00 C ATOM 300 O THR A 98 172.692 0.743 13.615 1.00 0.00 O ATOM 301 CB THR A 98 170.266 -1.475 13.338 1.00 0.00 C ATOM 302 OG1 THR A 98 170.144 -1.691 11.939 1.00 0.00 O ATOM 303 CG2 THR A 98 169.027 -2.017 14.051 1.00 0.00 C ATOM 0 H THR A 98 168.594 0.021 12.459 1.00 0.00 H new ATOM 0 HA THR A 98 170.459 0.228 14.680 1.00 0.00 H new ATOM 0 HB THR A 98 171.150 -1.993 13.710 1.00 0.00 H new ATOM 0 HG1 THR A 98 170.059 -2.651 11.762 1.00 0.00 H new ATOM 0 HG21 THR A 98 168.932 -3.085 13.855 1.00 0.00 H new ATOM 0 HG22 THR A 98 169.123 -1.852 15.124 1.00 0.00 H new ATOM 0 HG23 THR A 98 168.140 -1.501 13.683 1.00 0.00 H new ATOM 311 N GLY A 99 171.617 0.875 11.694 1.00 0.00 N ATOM 312 CA GLY A 99 172.808 1.432 10.988 1.00 0.00 C ATOM 313 C GLY A 99 173.640 0.308 10.351 1.00 0.00 C ATOM 314 O GLY A 99 174.755 0.533 9.919 1.00 0.00 O ATOM 0 H GLY A 99 170.789 0.754 11.111 1.00 0.00 H new ATOM 0 HA2 GLY A 99 172.485 2.133 10.218 1.00 0.00 H new ATOM 0 HA3 GLY A 99 173.424 1.993 11.691 1.00 0.00 H new ATOM 318 N LYS A 100 173.115 -0.892 10.284 1.00 0.00 N ATOM 319 CA LYS A 100 173.884 -2.017 9.672 1.00 0.00 C ATOM 320 C LYS A 100 173.003 -2.767 8.670 1.00 0.00 C ATOM 321 O LYS A 100 171.792 -2.781 8.794 1.00 0.00 O ATOM 322 CB LYS A 100 174.250 -2.926 10.845 1.00 0.00 C ATOM 323 CG LYS A 100 175.399 -2.298 11.635 1.00 0.00 C ATOM 324 CD LYS A 100 176.720 -2.572 10.915 1.00 0.00 C ATOM 325 CE LYS A 100 177.865 -1.889 11.667 1.00 0.00 C ATOM 326 NZ LYS A 100 178.998 -2.853 11.602 1.00 0.00 N ATOM 0 H LYS A 100 172.187 -1.139 10.627 1.00 0.00 H new ATOM 0 HA LYS A 100 174.766 -1.673 9.131 1.00 0.00 H new ATOM 0 HB2 LYS A 100 173.385 -3.069 11.492 1.00 0.00 H new ATOM 0 HB3 LYS A 100 174.541 -3.911 10.479 1.00 0.00 H new ATOM 0 HG2 LYS A 100 175.242 -1.224 11.734 1.00 0.00 H new ATOM 0 HG3 LYS A 100 175.430 -2.710 12.644 1.00 0.00 H new ATOM 0 HD2 LYS A 100 176.899 -3.646 10.857 1.00 0.00 H new ATOM 0 HD3 LYS A 100 176.672 -2.201 9.891 1.00 0.00 H new ATOM 0 HE2 LYS A 100 178.129 -0.938 11.205 1.00 0.00 H new ATOM 0 HE3 LYS A 100 177.587 -1.675 12.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 179.821 -2.455 12.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 178.720 -3.747 12.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 179.245 -3.032 10.608 1.00 0.00 H new ATOM 340 N VAL A 101 173.594 -3.401 7.688 1.00 0.00 N ATOM 341 CA VAL A 101 172.780 -4.162 6.691 1.00 0.00 C ATOM 342 C VAL A 101 173.585 -5.348 6.153 1.00 0.00 C ATOM 343 O VAL A 101 174.798 -5.371 6.227 1.00 0.00 O ATOM 344 CB VAL A 101 172.451 -3.168 5.569 1.00 0.00 C ATOM 345 CG1 VAL A 101 171.599 -2.028 6.130 1.00 0.00 C ATOM 346 CG2 VAL A 101 173.748 -2.594 4.988 1.00 0.00 C ATOM 0 H VAL A 101 174.602 -3.425 7.534 1.00 0.00 H new ATOM 0 HA VAL A 101 171.870 -4.568 7.133 1.00 0.00 H new ATOM 0 HB VAL A 101 171.900 -3.684 4.783 1.00 0.00 H new ATOM 0 HG11 VAL A 101 171.365 -1.322 5.333 1.00 0.00 H new ATOM 0 HG12 VAL A 101 170.673 -2.433 6.539 1.00 0.00 H new ATOM 0 HG13 VAL A 101 172.150 -1.516 6.918 1.00 0.00 H new ATOM 0 HG21 VAL A 101 173.509 -1.889 4.192 1.00 0.00 H new ATOM 0 HG22 VAL A 101 174.302 -2.080 5.773 1.00 0.00 H new ATOM 0 HG23 VAL A 101 174.356 -3.404 4.585 1.00 0.00 H new ATOM 356 N SER A 102 172.912 -6.327 5.603 1.00 0.00 N ATOM 357 CA SER A 102 173.623 -7.515 5.043 1.00 0.00 C ATOM 358 C SER A 102 174.161 -7.190 3.651 1.00 0.00 C ATOM 359 O SER A 102 173.548 -6.462 2.896 1.00 0.00 O ATOM 360 CB SER A 102 172.559 -8.608 4.957 1.00 0.00 C ATOM 361 OG SER A 102 171.378 -8.069 4.376 1.00 0.00 O ATOM 0 H SER A 102 171.896 -6.354 5.518 1.00 0.00 H new ATOM 0 HA SER A 102 174.472 -7.818 5.656 1.00 0.00 H new ATOM 0 HB2 SER A 102 172.925 -9.442 4.358 1.00 0.00 H new ATOM 0 HB3 SER A 102 172.343 -9.000 5.951 1.00 0.00 H new ATOM 0 HG SER A 102 170.694 -8.768 4.318 1.00 0.00 H new ATOM 367 N VAL A 103 175.307 -7.724 3.306 1.00 0.00 N ATOM 368 CA VAL A 103 175.896 -7.445 1.957 1.00 0.00 C ATOM 369 C VAL A 103 174.907 -7.823 0.844 1.00 0.00 C ATOM 370 O VAL A 103 174.798 -7.132 -0.152 1.00 0.00 O ATOM 371 CB VAL A 103 177.161 -8.315 1.883 1.00 0.00 C ATOM 372 CG1 VAL A 103 176.790 -9.797 2.003 1.00 0.00 C ATOM 373 CG2 VAL A 103 177.876 -8.072 0.548 1.00 0.00 C ATOM 0 H VAL A 103 175.861 -8.341 3.900 1.00 0.00 H new ATOM 0 HA VAL A 103 176.123 -6.387 1.822 1.00 0.00 H new ATOM 0 HB VAL A 103 177.823 -8.047 2.706 1.00 0.00 H new ATOM 0 HG11 VAL A 103 177.694 -10.404 1.949 1.00 0.00 H new ATOM 0 HG12 VAL A 103 176.292 -9.971 2.957 1.00 0.00 H new ATOM 0 HG13 VAL A 103 176.120 -10.071 1.188 1.00 0.00 H new ATOM 0 HG21 VAL A 103 178.773 -8.690 0.498 1.00 0.00 H new ATOM 0 HG22 VAL A 103 177.209 -8.332 -0.274 1.00 0.00 H new ATOM 0 HG23 VAL A 103 178.155 -7.021 0.471 1.00 0.00 H new ATOM 383 N GLY A 104 174.192 -8.910 1.002 1.00 0.00 N ATOM 384 CA GLY A 104 173.217 -9.332 -0.049 1.00 0.00 C ATOM 385 C GLY A 104 172.164 -8.241 -0.256 1.00 0.00 C ATOM 386 O GLY A 104 171.772 -7.948 -1.371 1.00 0.00 O ATOM 0 H GLY A 104 174.242 -9.524 1.815 1.00 0.00 H new ATOM 0 HA2 GLY A 104 173.740 -9.526 -0.985 1.00 0.00 H new ATOM 0 HA3 GLY A 104 172.734 -10.264 0.245 1.00 0.00 H new ATOM 390 N ASP A 105 171.706 -7.637 0.812 1.00 0.00 N ATOM 391 CA ASP A 105 170.678 -6.559 0.691 1.00 0.00 C ATOM 392 C ASP A 105 171.333 -5.233 0.301 1.00 0.00 C ATOM 393 O ASP A 105 170.824 -4.498 -0.523 1.00 0.00 O ATOM 394 CB ASP A 105 170.042 -6.456 2.078 1.00 0.00 C ATOM 395 CG ASP A 105 168.807 -5.556 2.007 1.00 0.00 C ATOM 396 OD1 ASP A 105 168.977 -4.363 1.823 1.00 0.00 O ATOM 397 OD2 ASP A 105 167.711 -6.077 2.139 1.00 0.00 O ATOM 0 H ASP A 105 172.001 -7.845 1.766 1.00 0.00 H new ATOM 0 HA ASP A 105 169.941 -6.783 -0.080 1.00 0.00 H new ATOM 0 HB2 ASP A 105 169.763 -7.447 2.436 1.00 0.00 H new ATOM 0 HB3 ASP A 105 170.761 -6.050 2.790 1.00 0.00 H new ATOM 402 N LEU A 106 172.457 -4.922 0.898 1.00 0.00 N ATOM 403 CA LEU A 106 173.149 -3.635 0.575 1.00 0.00 C ATOM 404 C LEU A 106 173.510 -3.594 -0.913 1.00 0.00 C ATOM 405 O LEU A 106 173.229 -2.627 -1.596 1.00 0.00 O ATOM 406 CB LEU A 106 174.416 -3.634 1.437 1.00 0.00 C ATOM 407 CG LEU A 106 175.189 -2.331 1.215 1.00 0.00 C ATOM 408 CD1 LEU A 106 175.903 -1.935 2.508 1.00 0.00 C ATOM 409 CD2 LEU A 106 176.222 -2.535 0.105 1.00 0.00 C ATOM 0 H LEU A 106 172.925 -5.502 1.594 1.00 0.00 H new ATOM 0 HA LEU A 106 172.523 -2.766 0.777 1.00 0.00 H new ATOM 0 HB2 LEU A 106 174.152 -3.737 2.489 1.00 0.00 H new ATOM 0 HB3 LEU A 106 175.043 -4.488 1.181 1.00 0.00 H new ATOM 0 HG LEU A 106 174.495 -1.541 0.926 1.00 0.00 H new ATOM 0 HD11 LEU A 106 176.453 -1.007 2.350 1.00 0.00 H new ATOM 0 HD12 LEU A 106 175.168 -1.791 3.300 1.00 0.00 H new ATOM 0 HD13 LEU A 106 176.597 -2.724 2.797 1.00 0.00 H new ATOM 0 HD21 LEU A 106 176.773 -1.608 -0.054 1.00 0.00 H new ATOM 0 HD22 LEU A 106 176.916 -3.324 0.394 1.00 0.00 H new ATOM 0 HD23 LEU A 106 175.714 -2.818 -0.817 1.00 0.00 H new ATOM 421 N ARG A 107 174.133 -4.630 -1.416 1.00 0.00 N ATOM 422 CA ARG A 107 174.517 -4.643 -2.860 1.00 0.00 C ATOM 423 C ARG A 107 173.267 -4.625 -3.739 1.00 0.00 C ATOM 424 O ARG A 107 173.268 -4.064 -4.820 1.00 0.00 O ATOM 425 CB ARG A 107 175.312 -5.935 -3.066 1.00 0.00 C ATOM 426 CG ARG A 107 176.127 -5.837 -4.359 1.00 0.00 C ATOM 427 CD ARG A 107 176.576 -7.237 -4.785 1.00 0.00 C ATOM 428 NE ARG A 107 177.544 -7.009 -5.893 1.00 0.00 N ATOM 429 CZ ARG A 107 177.111 -6.773 -7.101 1.00 0.00 C ATOM 430 NH1 ARG A 107 176.655 -5.590 -7.412 1.00 0.00 N ATOM 431 NH2 ARG A 107 177.134 -7.720 -7.999 1.00 0.00 N ATOM 0 H ARG A 107 174.392 -5.465 -0.891 1.00 0.00 H new ATOM 0 HA ARG A 107 175.107 -3.768 -3.133 1.00 0.00 H new ATOM 0 HB2 ARG A 107 175.976 -6.105 -2.218 1.00 0.00 H new ATOM 0 HB3 ARG A 107 174.634 -6.787 -3.115 1.00 0.00 H new ATOM 0 HG2 ARG A 107 175.527 -5.380 -5.146 1.00 0.00 H new ATOM 0 HG3 ARG A 107 176.995 -5.195 -4.207 1.00 0.00 H new ATOM 0 HD2 ARG A 107 177.042 -7.771 -3.957 1.00 0.00 H new ATOM 0 HD3 ARG A 107 175.730 -7.839 -5.117 1.00 0.00 H new ATOM 0 HE ARG A 107 178.547 -7.037 -5.708 1.00 0.00 H new ATOM 0 HH11 ARG A 107 176.637 -4.850 -6.711 1.00 0.00 H new ATOM 0 HH12 ARG A 107 176.317 -5.406 -8.356 1.00 0.00 H new ATOM 0 HH21 ARG A 107 177.490 -8.644 -7.756 1.00 0.00 H new ATOM 0 HH22 ARG A 107 176.796 -7.536 -8.943 1.00 0.00 H new ATOM 445 N TYR A 108 172.199 -5.240 -3.286 1.00 0.00 N ATOM 446 CA TYR A 108 170.952 -5.261 -4.106 1.00 0.00 C ATOM 447 C TYR A 108 170.385 -3.847 -4.229 1.00 0.00 C ATOM 448 O TYR A 108 170.034 -3.405 -5.307 1.00 0.00 O ATOM 449 CB TYR A 108 169.979 -6.179 -3.362 1.00 0.00 C ATOM 450 CG TYR A 108 168.754 -6.409 -4.213 1.00 0.00 C ATOM 451 CD1 TYR A 108 168.716 -7.483 -5.109 1.00 0.00 C ATOM 452 CD2 TYR A 108 167.656 -5.547 -4.106 1.00 0.00 C ATOM 453 CE1 TYR A 108 167.580 -7.696 -5.899 1.00 0.00 C ATOM 454 CE2 TYR A 108 166.520 -5.760 -4.896 1.00 0.00 C ATOM 455 CZ TYR A 108 166.481 -6.834 -5.792 1.00 0.00 C ATOM 456 OH TYR A 108 165.362 -7.045 -6.571 1.00 0.00 O ATOM 0 H TYR A 108 172.140 -5.724 -2.390 1.00 0.00 H new ATOM 0 HA TYR A 108 171.134 -5.621 -5.119 1.00 0.00 H new ATOM 0 HB2 TYR A 108 170.461 -7.130 -3.135 1.00 0.00 H new ATOM 0 HB3 TYR A 108 169.695 -5.730 -2.410 1.00 0.00 H new ATOM 0 HD1 TYR A 108 169.563 -8.148 -5.191 1.00 0.00 H new ATOM 0 HD2 TYR A 108 167.685 -4.718 -3.414 1.00 0.00 H new ATOM 0 HE1 TYR A 108 167.551 -8.525 -6.591 1.00 0.00 H new ATOM 0 HE2 TYR A 108 165.673 -5.095 -4.814 1.00 0.00 H new ATOM 0 HH TYR A 108 164.691 -6.358 -6.373 1.00 0.00 H new ATOM 466 N MET A 109 170.278 -3.139 -3.131 1.00 0.00 N ATOM 467 CA MET A 109 169.717 -1.759 -3.188 1.00 0.00 C ATOM 468 C MET A 109 170.725 -0.795 -3.786 1.00 0.00 C ATOM 469 O MET A 109 170.357 0.219 -4.349 1.00 0.00 O ATOM 470 CB MET A 109 169.451 -1.383 -1.739 1.00 0.00 C ATOM 471 CG MET A 109 168.003 -1.728 -1.378 1.00 0.00 C ATOM 472 SD MET A 109 167.086 -0.215 -0.964 1.00 0.00 S ATOM 473 CE MET A 109 167.468 0.722 -2.473 1.00 0.00 C ATOM 0 H MET A 109 170.555 -3.458 -2.202 1.00 0.00 H new ATOM 0 HA MET A 109 168.821 -1.714 -3.806 1.00 0.00 H new ATOM 0 HB2 MET A 109 170.138 -1.917 -1.082 1.00 0.00 H new ATOM 0 HB3 MET A 109 169.630 -0.318 -1.590 1.00 0.00 H new ATOM 0 HG2 MET A 109 167.523 -2.236 -2.214 1.00 0.00 H new ATOM 0 HG3 MET A 109 167.985 -2.416 -0.533 1.00 0.00 H new ATOM 0 HE1 MET A 109 166.671 1.440 -2.667 1.00 0.00 H new ATOM 0 HE2 MET A 109 168.411 1.253 -2.343 1.00 0.00 H new ATOM 0 HE3 MET A 109 167.551 0.036 -3.316 1.00 0.00 H new ATOM 483 N LEU A 110 171.994 -1.096 -3.680 1.00 0.00 N ATOM 484 CA LEU A 110 173.022 -0.182 -4.260 1.00 0.00 C ATOM 485 C LEU A 110 172.780 -0.062 -5.759 1.00 0.00 C ATOM 486 O LEU A 110 172.777 1.019 -6.312 1.00 0.00 O ATOM 487 CB LEU A 110 174.368 -0.864 -3.976 1.00 0.00 C ATOM 488 CG LEU A 110 175.512 -0.014 -4.529 1.00 0.00 C ATOM 489 CD1 LEU A 110 175.694 1.232 -3.658 1.00 0.00 C ATOM 490 CD2 LEU A 110 176.805 -0.835 -4.517 1.00 0.00 C ATOM 0 H LEU A 110 172.361 -1.929 -3.220 1.00 0.00 H new ATOM 0 HA LEU A 110 172.992 0.823 -3.838 1.00 0.00 H new ATOM 0 HB2 LEU A 110 174.494 -1.005 -2.903 1.00 0.00 H new ATOM 0 HB3 LEU A 110 174.387 -1.854 -4.431 1.00 0.00 H new ATOM 0 HG LEU A 110 175.278 0.289 -5.550 1.00 0.00 H new ATOM 0 HD11 LEU A 110 176.510 1.837 -4.054 1.00 0.00 H new ATOM 0 HD12 LEU A 110 174.774 1.817 -3.662 1.00 0.00 H new ATOM 0 HD13 LEU A 110 175.928 0.931 -2.637 1.00 0.00 H new ATOM 0 HD21 LEU A 110 177.623 -0.232 -4.911 1.00 0.00 H new ATOM 0 HD22 LEU A 110 177.036 -1.136 -3.495 1.00 0.00 H new ATOM 0 HD23 LEU A 110 176.678 -1.723 -5.137 1.00 0.00 H new ATOM 502 N THR A 111 172.544 -1.175 -6.406 1.00 0.00 N ATOM 503 CA THR A 111 172.277 -1.151 -7.878 1.00 0.00 C ATOM 504 C THR A 111 170.956 -0.429 -8.178 1.00 0.00 C ATOM 505 O THR A 111 170.705 -0.007 -9.291 1.00 0.00 O ATOM 506 CB THR A 111 172.180 -2.623 -8.285 1.00 0.00 C ATOM 507 OG1 THR A 111 171.192 -3.268 -7.496 1.00 0.00 O ATOM 508 CG2 THR A 111 173.532 -3.305 -8.074 1.00 0.00 C ATOM 0 H THR A 111 172.524 -2.101 -5.979 1.00 0.00 H new ATOM 0 HA THR A 111 173.057 -0.620 -8.424 1.00 0.00 H new ATOM 0 HB THR A 111 171.904 -2.690 -9.337 1.00 0.00 H new ATOM 0 HG1 THR A 111 170.927 -2.680 -6.758 1.00 0.00 H new ATOM 0 HG21 THR A 111 173.460 -4.353 -8.365 1.00 0.00 H new ATOM 0 HG22 THR A 111 174.288 -2.810 -8.684 1.00 0.00 H new ATOM 0 HG23 THR A 111 173.813 -3.238 -7.023 1.00 0.00 H new ATOM 516 N GLY A 112 170.127 -0.260 -7.178 1.00 0.00 N ATOM 517 CA GLY A 112 168.835 0.460 -7.360 1.00 0.00 C ATOM 518 C GLY A 112 169.046 1.971 -7.179 1.00 0.00 C ATOM 519 O GLY A 112 168.187 2.770 -7.497 1.00 0.00 O ATOM 0 H GLY A 112 170.296 -0.597 -6.230 1.00 0.00 H new ATOM 0 HA2 GLY A 112 168.433 0.257 -8.352 1.00 0.00 H new ATOM 0 HA3 GLY A 112 168.102 0.098 -6.639 1.00 0.00 H new ATOM 523 N LEU A 113 170.172 2.360 -6.629 1.00 0.00 N ATOM 524 CA LEU A 113 170.451 3.802 -6.367 1.00 0.00 C ATOM 525 C LEU A 113 171.249 4.455 -7.511 1.00 0.00 C ATOM 526 O LEU A 113 171.698 5.579 -7.384 1.00 0.00 O ATOM 527 CB LEU A 113 171.304 3.785 -5.093 1.00 0.00 C ATOM 528 CG LEU A 113 170.863 4.902 -4.145 1.00 0.00 C ATOM 529 CD1 LEU A 113 171.678 4.815 -2.854 1.00 0.00 C ATOM 530 CD2 LEU A 113 171.100 6.263 -4.804 1.00 0.00 C ATOM 0 H LEU A 113 170.920 1.726 -6.347 1.00 0.00 H new ATOM 0 HA LEU A 113 169.529 4.377 -6.276 1.00 0.00 H new ATOM 0 HB2 LEU A 113 171.210 2.819 -4.597 1.00 0.00 H new ATOM 0 HB3 LEU A 113 172.356 3.910 -5.350 1.00 0.00 H new ATOM 0 HG LEU A 113 169.802 4.791 -3.921 1.00 0.00 H new ATOM 0 HD11 LEU A 113 171.368 5.609 -2.174 1.00 0.00 H new ATOM 0 HD12 LEU A 113 171.510 3.847 -2.382 1.00 0.00 H new ATOM 0 HD13 LEU A 113 172.737 4.927 -3.084 1.00 0.00 H new ATOM 0 HD21 LEU A 113 170.785 7.056 -4.126 1.00 0.00 H new ATOM 0 HD22 LEU A 113 172.160 6.379 -5.029 1.00 0.00 H new ATOM 0 HD23 LEU A 113 170.524 6.325 -5.727 1.00 0.00 H new ATOM 542 N GLY A 114 171.460 3.768 -8.610 1.00 0.00 N ATOM 543 CA GLY A 114 172.263 4.364 -9.727 1.00 0.00 C ATOM 544 C GLY A 114 173.669 3.754 -9.695 1.00 0.00 C ATOM 545 O GLY A 114 174.647 4.387 -10.047 1.00 0.00 O ATOM 0 H GLY A 114 171.113 2.824 -8.781 1.00 0.00 H new ATOM 0 HA2 GLY A 114 171.785 4.164 -10.686 1.00 0.00 H new ATOM 0 HA3 GLY A 114 172.318 5.447 -9.618 1.00 0.00 H new ATOM 549 N GLU A 115 173.757 2.516 -9.294 1.00 0.00 N ATOM 550 CA GLU A 115 175.079 1.819 -9.252 1.00 0.00 C ATOM 551 C GLU A 115 175.117 0.664 -10.252 1.00 0.00 C ATOM 552 O GLU A 115 174.334 -0.262 -10.163 1.00 0.00 O ATOM 553 CB GLU A 115 175.221 1.287 -7.827 1.00 0.00 C ATOM 554 CG GLU A 115 175.187 2.456 -6.839 1.00 0.00 C ATOM 555 CD GLU A 115 176.617 2.930 -6.568 1.00 0.00 C ATOM 556 OE1 GLU A 115 177.483 2.082 -6.423 1.00 0.00 O ATOM 557 OE2 GLU A 115 176.822 4.131 -6.512 1.00 0.00 O ATOM 0 H GLU A 115 172.964 1.950 -8.991 1.00 0.00 H new ATOM 0 HA GLU A 115 175.892 2.495 -9.517 1.00 0.00 H new ATOM 0 HB2 GLU A 115 174.415 0.587 -7.607 1.00 0.00 H new ATOM 0 HB3 GLU A 115 176.157 0.737 -7.724 1.00 0.00 H new ATOM 0 HG2 GLU A 115 174.591 3.273 -7.245 1.00 0.00 H new ATOM 0 HG3 GLU A 115 174.711 2.147 -5.908 1.00 0.00 H new ATOM 564 N LYS A 116 176.036 0.689 -11.184 1.00 0.00 N ATOM 565 CA LYS A 116 176.134 -0.436 -12.156 1.00 0.00 C ATOM 566 C LYS A 116 177.533 -1.047 -12.082 1.00 0.00 C ATOM 567 O LYS A 116 178.263 -1.107 -13.051 1.00 0.00 O ATOM 568 CB LYS A 116 175.819 0.137 -13.538 1.00 0.00 C ATOM 569 CG LYS A 116 174.357 0.585 -13.584 1.00 0.00 C ATOM 570 CD LYS A 116 173.997 1.007 -15.009 1.00 0.00 C ATOM 571 CE LYS A 116 174.732 2.303 -15.360 1.00 0.00 C ATOM 572 NZ LYS A 116 174.084 2.786 -16.612 1.00 0.00 N ATOM 0 H LYS A 116 176.718 1.437 -11.312 1.00 0.00 H new ATOM 0 HA LYS A 116 175.428 -1.236 -11.933 1.00 0.00 H new ATOM 0 HB2 LYS A 116 176.476 0.980 -13.752 1.00 0.00 H new ATOM 0 HB3 LYS A 116 176.004 -0.614 -14.306 1.00 0.00 H new ATOM 0 HG2 LYS A 116 173.706 -0.227 -13.259 1.00 0.00 H new ATOM 0 HG3 LYS A 116 174.198 1.416 -12.896 1.00 0.00 H new ATOM 0 HD2 LYS A 116 174.270 0.220 -15.712 1.00 0.00 H new ATOM 0 HD3 LYS A 116 172.920 1.153 -15.095 1.00 0.00 H new ATOM 0 HE2 LYS A 116 174.641 3.037 -14.560 1.00 0.00 H new ATOM 0 HE3 LYS A 116 175.797 2.125 -15.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 174.534 3.673 -16.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 174.192 2.069 -17.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 173.073 2.954 -16.437 1.00 0.00 H new ATOM 586 N LEU A 117 177.878 -1.532 -10.920 1.00 0.00 N ATOM 587 CA LEU A 117 179.196 -2.192 -10.710 1.00 0.00 C ATOM 588 C LEU A 117 179.028 -3.691 -10.961 1.00 0.00 C ATOM 589 O LEU A 117 177.974 -4.247 -10.712 1.00 0.00 O ATOM 590 CB LEU A 117 179.556 -1.922 -9.248 1.00 0.00 C ATOM 591 CG LEU A 117 179.661 -0.413 -9.014 1.00 0.00 C ATOM 592 CD1 LEU A 117 179.816 -0.138 -7.518 1.00 0.00 C ATOM 593 CD2 LEU A 117 180.881 0.133 -9.760 1.00 0.00 C ATOM 0 H LEU A 117 177.287 -1.497 -10.090 1.00 0.00 H new ATOM 0 HA LEU A 117 179.975 -1.822 -11.377 1.00 0.00 H new ATOM 0 HB2 LEU A 117 178.798 -2.350 -8.592 1.00 0.00 H new ATOM 0 HB3 LEU A 117 180.501 -2.405 -9.001 1.00 0.00 H new ATOM 0 HG LEU A 117 178.759 0.076 -9.382 1.00 0.00 H new ATOM 0 HD11 LEU A 117 179.891 0.937 -7.351 1.00 0.00 H new ATOM 0 HD12 LEU A 117 178.949 -0.528 -6.985 1.00 0.00 H new ATOM 0 HD13 LEU A 117 180.719 -0.626 -7.150 1.00 0.00 H new ATOM 0 HD21 LEU A 117 180.958 1.208 -9.595 1.00 0.00 H new ATOM 0 HD22 LEU A 117 181.782 -0.356 -9.391 1.00 0.00 H new ATOM 0 HD23 LEU A 117 180.773 -0.063 -10.827 1.00 0.00 H new ATOM 605 N THR A 118 180.050 -4.354 -11.433 1.00 0.00 N ATOM 606 CA THR A 118 179.940 -5.823 -11.677 1.00 0.00 C ATOM 607 C THR A 118 180.810 -6.583 -10.674 1.00 0.00 C ATOM 608 O THR A 118 181.865 -6.107 -10.305 1.00 0.00 O ATOM 609 CB THR A 118 180.454 -6.029 -13.099 1.00 0.00 C ATOM 610 OG1 THR A 118 179.831 -5.093 -13.969 1.00 0.00 O ATOM 611 CG2 THR A 118 180.131 -7.452 -13.561 1.00 0.00 C ATOM 0 H THR A 118 180.955 -3.943 -11.660 1.00 0.00 H new ATOM 0 HA THR A 118 178.920 -6.190 -11.560 1.00 0.00 H new ATOM 0 HB THR A 118 181.534 -5.880 -13.119 1.00 0.00 H new ATOM 0 HG1 THR A 118 180.162 -5.224 -14.882 1.00 0.00 H new ATOM 0 HG21 THR A 118 180.499 -7.597 -14.577 1.00 0.00 H new ATOM 0 HG22 THR A 118 180.612 -8.169 -12.895 1.00 0.00 H new ATOM 0 HG23 THR A 118 179.052 -7.605 -13.541 1.00 0.00 H new ATOM 619 N ASP A 119 180.370 -7.731 -10.193 1.00 0.00 N ATOM 620 CA ASP A 119 181.164 -8.512 -9.169 1.00 0.00 C ATOM 621 C ASP A 119 182.676 -8.497 -9.449 1.00 0.00 C ATOM 622 O ASP A 119 183.479 -8.565 -8.536 1.00 0.00 O ATOM 623 CB ASP A 119 180.628 -9.941 -9.275 1.00 0.00 C ATOM 624 CG ASP A 119 181.121 -10.764 -8.082 1.00 0.00 C ATOM 625 OD1 ASP A 119 182.228 -10.518 -7.634 1.00 0.00 O ATOM 626 OD2 ASP A 119 180.381 -11.626 -7.637 1.00 0.00 O ATOM 0 H ASP A 119 179.489 -8.165 -10.467 1.00 0.00 H new ATOM 0 HA ASP A 119 181.048 -8.076 -8.177 1.00 0.00 H new ATOM 0 HB2 ASP A 119 179.538 -9.931 -9.297 1.00 0.00 H new ATOM 0 HB3 ASP A 119 180.962 -10.397 -10.207 1.00 0.00 H new ATOM 631 N ALA A 120 183.070 -8.359 -10.692 1.00 0.00 N ATOM 632 CA ALA A 120 184.528 -8.283 -11.013 1.00 0.00 C ATOM 633 C ALA A 120 185.125 -7.049 -10.326 1.00 0.00 C ATOM 634 O ALA A 120 186.097 -7.140 -9.601 1.00 0.00 O ATOM 635 CB ALA A 120 184.596 -8.125 -12.535 1.00 0.00 C ATOM 0 H ALA A 120 182.446 -8.296 -11.496 1.00 0.00 H new ATOM 0 HA ALA A 120 185.082 -9.159 -10.675 1.00 0.00 H new ATOM 0 HB1 ALA A 120 185.638 -8.062 -12.848 1.00 0.00 H new ATOM 0 HB2 ALA A 120 184.125 -8.985 -13.011 1.00 0.00 H new ATOM 0 HB3 ALA A 120 184.073 -7.215 -12.830 1.00 0.00 H new ATOM 641 N GLU A 121 184.533 -5.900 -10.539 1.00 0.00 N ATOM 642 CA GLU A 121 185.040 -4.653 -9.889 1.00 0.00 C ATOM 643 C GLU A 121 184.621 -4.610 -8.412 1.00 0.00 C ATOM 644 O GLU A 121 185.400 -4.265 -7.546 1.00 0.00 O ATOM 645 CB GLU A 121 184.388 -3.508 -10.665 1.00 0.00 C ATOM 646 CG GLU A 121 185.031 -3.394 -12.048 1.00 0.00 C ATOM 647 CD GLU A 121 184.379 -2.248 -12.822 1.00 0.00 C ATOM 648 OE1 GLU A 121 183.393 -2.500 -13.496 1.00 0.00 O ATOM 649 OE2 GLU A 121 184.877 -1.138 -12.728 1.00 0.00 O ATOM 0 H GLU A 121 183.717 -5.772 -11.138 1.00 0.00 H new ATOM 0 HA GLU A 121 186.128 -4.593 -9.909 1.00 0.00 H new ATOM 0 HB2 GLU A 121 183.317 -3.686 -10.764 1.00 0.00 H new ATOM 0 HB3 GLU A 121 184.506 -2.572 -10.119 1.00 0.00 H new ATOM 0 HG2 GLU A 121 186.102 -3.217 -11.949 1.00 0.00 H new ATOM 0 HG3 GLU A 121 184.912 -4.330 -12.594 1.00 0.00 H new ATOM 656 N VAL A 122 183.391 -4.960 -8.128 1.00 0.00 N ATOM 657 CA VAL A 122 182.902 -4.946 -6.710 1.00 0.00 C ATOM 658 C VAL A 122 183.740 -5.894 -5.845 1.00 0.00 C ATOM 659 O VAL A 122 183.997 -5.610 -4.690 1.00 0.00 O ATOM 660 CB VAL A 122 181.441 -5.417 -6.769 1.00 0.00 C ATOM 661 CG1 VAL A 122 180.838 -5.416 -5.359 1.00 0.00 C ATOM 662 CG2 VAL A 122 180.634 -4.467 -7.657 1.00 0.00 C ATOM 0 H VAL A 122 182.701 -5.256 -8.818 1.00 0.00 H new ATOM 0 HA VAL A 122 182.985 -3.954 -6.265 1.00 0.00 H new ATOM 0 HB VAL A 122 181.408 -6.426 -7.180 1.00 0.00 H new ATOM 0 HG11 VAL A 122 179.802 -5.751 -5.406 1.00 0.00 H new ATOM 0 HG12 VAL A 122 181.408 -6.089 -4.719 1.00 0.00 H new ATOM 0 HG13 VAL A 122 180.875 -4.407 -4.948 1.00 0.00 H new ATOM 0 HG21 VAL A 122 179.597 -4.801 -7.699 1.00 0.00 H new ATOM 0 HG22 VAL A 122 180.674 -3.460 -7.243 1.00 0.00 H new ATOM 0 HG23 VAL A 122 181.055 -4.463 -8.662 1.00 0.00 H new ATOM 672 N ASP A 123 184.174 -7.007 -6.384 1.00 0.00 N ATOM 673 CA ASP A 123 185.002 -7.950 -5.566 1.00 0.00 C ATOM 674 C ASP A 123 186.308 -7.255 -5.165 1.00 0.00 C ATOM 675 O ASP A 123 186.780 -7.394 -4.052 1.00 0.00 O ATOM 676 CB ASP A 123 185.264 -9.163 -6.460 1.00 0.00 C ATOM 677 CG ASP A 123 186.109 -10.190 -5.701 1.00 0.00 C ATOM 678 OD1 ASP A 123 187.277 -9.916 -5.477 1.00 0.00 O ATOM 679 OD2 ASP A 123 185.573 -11.230 -5.356 1.00 0.00 O ATOM 0 H ASP A 123 183.994 -7.302 -7.344 1.00 0.00 H new ATOM 0 HA ASP A 123 184.504 -8.257 -4.646 1.00 0.00 H new ATOM 0 HB2 ASP A 123 184.319 -9.611 -6.768 1.00 0.00 H new ATOM 0 HB3 ASP A 123 185.780 -8.853 -7.368 1.00 0.00 H new ATOM 684 N GLU A 124 186.881 -6.486 -6.060 1.00 0.00 N ATOM 685 CA GLU A 124 188.144 -5.752 -5.732 1.00 0.00 C ATOM 686 C GLU A 124 187.899 -4.808 -4.550 1.00 0.00 C ATOM 687 O GLU A 124 188.657 -4.778 -3.598 1.00 0.00 O ATOM 688 CB GLU A 124 188.480 -4.947 -6.990 1.00 0.00 C ATOM 689 CG GLU A 124 188.917 -5.900 -8.104 1.00 0.00 C ATOM 690 CD GLU A 124 190.268 -6.523 -7.744 1.00 0.00 C ATOM 691 OE1 GLU A 124 191.072 -5.835 -7.137 1.00 0.00 O ATOM 692 OE2 GLU A 124 190.474 -7.677 -8.081 1.00 0.00 O ATOM 0 H GLU A 124 186.528 -6.335 -7.005 1.00 0.00 H new ATOM 0 HA GLU A 124 188.954 -6.426 -5.453 1.00 0.00 H new ATOM 0 HB2 GLU A 124 187.611 -4.372 -7.309 1.00 0.00 H new ATOM 0 HB3 GLU A 124 189.275 -4.232 -6.776 1.00 0.00 H new ATOM 0 HG2 GLU A 124 188.170 -6.681 -8.242 1.00 0.00 H new ATOM 0 HG3 GLU A 124 188.993 -5.361 -9.049 1.00 0.00 H new ATOM 699 N LEU A 125 186.834 -4.047 -4.606 1.00 0.00 N ATOM 700 CA LEU A 125 186.512 -3.105 -3.490 1.00 0.00 C ATOM 701 C LEU A 125 186.313 -3.885 -2.188 1.00 0.00 C ATOM 702 O LEU A 125 186.857 -3.550 -1.154 1.00 0.00 O ATOM 703 CB LEU A 125 185.197 -2.442 -3.911 1.00 0.00 C ATOM 704 CG LEU A 125 185.481 -1.190 -4.751 1.00 0.00 C ATOM 705 CD1 LEU A 125 186.285 -1.563 -6.003 1.00 0.00 C ATOM 706 CD2 LEU A 125 184.154 -0.570 -5.181 1.00 0.00 C ATOM 0 H LEU A 125 186.171 -4.038 -5.381 1.00 0.00 H new ATOM 0 HA LEU A 125 187.306 -2.379 -3.315 1.00 0.00 H new ATOM 0 HB2 LEU A 125 184.594 -3.145 -4.485 1.00 0.00 H new ATOM 0 HB3 LEU A 125 184.618 -2.173 -3.028 1.00 0.00 H new ATOM 0 HG LEU A 125 186.056 -0.482 -4.154 1.00 0.00 H new ATOM 0 HD11 LEU A 125 186.480 -0.666 -6.591 1.00 0.00 H new ATOM 0 HD12 LEU A 125 187.231 -2.015 -5.706 1.00 0.00 H new ATOM 0 HD13 LEU A 125 185.716 -2.273 -6.603 1.00 0.00 H new ATOM 0 HD21 LEU A 125 184.346 0.321 -5.779 1.00 0.00 H new ATOM 0 HD22 LEU A 125 183.591 -1.291 -5.774 1.00 0.00 H new ATOM 0 HD23 LEU A 125 183.577 -0.297 -4.298 1.00 0.00 H new ATOM 718 N LEU A 126 185.525 -4.928 -2.246 1.00 0.00 N ATOM 719 CA LEU A 126 185.261 -5.758 -1.030 1.00 0.00 C ATOM 720 C LEU A 126 186.556 -6.368 -0.484 1.00 0.00 C ATOM 721 O LEU A 126 186.607 -6.824 0.642 1.00 0.00 O ATOM 722 CB LEU A 126 184.324 -6.870 -1.502 1.00 0.00 C ATOM 723 CG LEU A 126 182.898 -6.329 -1.607 1.00 0.00 C ATOM 724 CD1 LEU A 126 182.034 -7.331 -2.370 1.00 0.00 C ATOM 725 CD2 LEU A 126 182.324 -6.128 -0.203 1.00 0.00 C ATOM 0 H LEU A 126 185.049 -5.243 -3.091 1.00 0.00 H new ATOM 0 HA LEU A 126 184.832 -5.159 -0.227 1.00 0.00 H new ATOM 0 HB2 LEU A 126 184.652 -7.249 -2.470 1.00 0.00 H new ATOM 0 HB3 LEU A 126 184.356 -7.707 -0.804 1.00 0.00 H new ATOM 0 HG LEU A 126 182.907 -5.376 -2.135 1.00 0.00 H new ATOM 0 HD11 LEU A 126 181.016 -6.949 -2.447 1.00 0.00 H new ATOM 0 HD12 LEU A 126 182.443 -7.477 -3.370 1.00 0.00 H new ATOM 0 HD13 LEU A 126 182.025 -8.283 -1.839 1.00 0.00 H new ATOM 0 HD21 LEU A 126 181.307 -5.742 -0.277 1.00 0.00 H new ATOM 0 HD22 LEU A 126 182.313 -7.081 0.325 1.00 0.00 H new ATOM 0 HD23 LEU A 126 182.943 -5.417 0.345 1.00 0.00 H new ATOM 737 N LYS A 127 187.592 -6.414 -1.288 1.00 0.00 N ATOM 738 CA LYS A 127 188.876 -7.036 -0.832 1.00 0.00 C ATOM 739 C LYS A 127 189.388 -6.364 0.448 1.00 0.00 C ATOM 740 O LYS A 127 190.170 -6.936 1.184 1.00 0.00 O ATOM 741 CB LYS A 127 189.861 -6.787 -1.977 1.00 0.00 C ATOM 742 CG LYS A 127 191.192 -7.474 -1.666 1.00 0.00 C ATOM 743 CD LYS A 127 192.177 -7.226 -2.809 1.00 0.00 C ATOM 744 CE LYS A 127 193.506 -7.920 -2.498 1.00 0.00 C ATOM 745 NZ LYS A 127 194.331 -7.737 -3.726 1.00 0.00 N ATOM 0 H LYS A 127 187.604 -6.048 -2.240 1.00 0.00 H new ATOM 0 HA LYS A 127 188.751 -8.095 -0.605 1.00 0.00 H new ATOM 0 HB2 LYS A 127 189.452 -7.170 -2.912 1.00 0.00 H new ATOM 0 HB3 LYS A 127 190.015 -5.716 -2.111 1.00 0.00 H new ATOM 0 HG2 LYS A 127 191.601 -7.091 -0.731 1.00 0.00 H new ATOM 0 HG3 LYS A 127 191.037 -8.545 -1.532 1.00 0.00 H new ATOM 0 HD2 LYS A 127 191.767 -7.605 -3.745 1.00 0.00 H new ATOM 0 HD3 LYS A 127 192.336 -6.156 -2.941 1.00 0.00 H new ATOM 0 HE2 LYS A 127 193.989 -7.476 -1.628 1.00 0.00 H new ATOM 0 HE3 LYS A 127 193.357 -8.977 -2.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 195.259 -8.186 -3.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 193.849 -8.175 -4.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 194.461 -6.721 -3.909 1.00 0.00 H new ATOM 759 N GLY A 128 188.956 -5.155 0.716 1.00 0.00 N ATOM 760 CA GLY A 128 189.420 -4.446 1.943 1.00 0.00 C ATOM 761 C GLY A 128 188.232 -4.173 2.870 1.00 0.00 C ATOM 762 O GLY A 128 188.261 -3.251 3.663 1.00 0.00 O ATOM 0 H GLY A 128 188.301 -4.631 0.135 1.00 0.00 H new ATOM 0 HA2 GLY A 128 190.166 -5.049 2.461 1.00 0.00 H new ATOM 0 HA3 GLY A 128 189.902 -3.507 1.670 1.00 0.00 H new ATOM 766 N VAL A 129 187.190 -4.968 2.785 1.00 0.00 N ATOM 767 CA VAL A 129 186.009 -4.748 3.674 1.00 0.00 C ATOM 768 C VAL A 129 185.952 -5.843 4.744 1.00 0.00 C ATOM 769 O VAL A 129 186.052 -7.022 4.465 1.00 0.00 O ATOM 770 CB VAL A 129 184.783 -4.793 2.757 1.00 0.00 C ATOM 771 CG1 VAL A 129 183.511 -4.583 3.583 1.00 0.00 C ATOM 772 CG2 VAL A 129 184.893 -3.678 1.714 1.00 0.00 C ATOM 0 H VAL A 129 187.109 -5.755 2.141 1.00 0.00 H new ATOM 0 HA VAL A 129 186.060 -3.796 4.203 1.00 0.00 H new ATOM 0 HB VAL A 129 184.738 -5.763 2.262 1.00 0.00 H new ATOM 0 HG11 VAL A 129 182.641 -4.616 2.927 1.00 0.00 H new ATOM 0 HG12 VAL A 129 183.430 -5.370 4.333 1.00 0.00 H new ATOM 0 HG13 VAL A 129 183.555 -3.613 4.079 1.00 0.00 H new ATOM 0 HG21 VAL A 129 184.023 -3.706 1.059 1.00 0.00 H new ATOM 0 HG22 VAL A 129 184.938 -2.712 2.217 1.00 0.00 H new ATOM 0 HG23 VAL A 129 185.797 -3.821 1.122 1.00 0.00 H new ATOM 782 N GLU A 130 185.815 -5.432 5.975 1.00 0.00 N ATOM 783 CA GLU A 130 185.773 -6.397 7.113 1.00 0.00 C ATOM 784 C GLU A 130 184.344 -6.615 7.620 1.00 0.00 C ATOM 785 O GLU A 130 183.804 -5.808 8.354 1.00 0.00 O ATOM 786 CB GLU A 130 186.622 -5.738 8.202 1.00 0.00 C ATOM 787 CG GLU A 130 186.749 -6.686 9.398 1.00 0.00 C ATOM 788 CD GLU A 130 187.598 -6.027 10.486 1.00 0.00 C ATOM 789 OE1 GLU A 130 187.031 -5.323 11.306 1.00 0.00 O ATOM 790 OE2 GLU A 130 188.800 -6.236 10.480 1.00 0.00 O ATOM 0 H GLU A 130 185.729 -4.452 6.246 1.00 0.00 H new ATOM 0 HA GLU A 130 186.141 -7.380 6.818 1.00 0.00 H new ATOM 0 HB2 GLU A 130 187.610 -5.496 7.810 1.00 0.00 H new ATOM 0 HB3 GLU A 130 186.165 -4.800 8.516 1.00 0.00 H new ATOM 0 HG2 GLU A 130 185.761 -6.928 9.790 1.00 0.00 H new ATOM 0 HG3 GLU A 130 187.206 -7.625 9.084 1.00 0.00 H new ATOM 797 N VAL A 131 183.751 -7.726 7.265 1.00 0.00 N ATOM 798 CA VAL A 131 182.374 -8.041 7.752 1.00 0.00 C ATOM 799 C VAL A 131 182.487 -8.727 9.118 1.00 0.00 C ATOM 800 O VAL A 131 183.540 -9.219 9.482 1.00 0.00 O ATOM 801 CB VAL A 131 181.749 -8.980 6.703 1.00 0.00 C ATOM 802 CG1 VAL A 131 181.783 -8.310 5.326 1.00 0.00 C ATOM 803 CG2 VAL A 131 182.517 -10.309 6.644 1.00 0.00 C ATOM 0 H VAL A 131 184.164 -8.432 6.656 1.00 0.00 H new ATOM 0 HA VAL A 131 181.755 -7.152 7.874 1.00 0.00 H new ATOM 0 HB VAL A 131 180.717 -9.182 6.988 1.00 0.00 H new ATOM 0 HG11 VAL A 131 181.340 -8.977 4.586 1.00 0.00 H new ATOM 0 HG12 VAL A 131 181.217 -7.379 5.360 1.00 0.00 H new ATOM 0 HG13 VAL A 131 182.816 -8.097 5.050 1.00 0.00 H new ATOM 0 HG21 VAL A 131 182.061 -10.960 5.898 1.00 0.00 H new ATOM 0 HG22 VAL A 131 183.555 -10.118 6.373 1.00 0.00 H new ATOM 0 HG23 VAL A 131 182.480 -10.794 7.619 1.00 0.00 H new ATOM 813 N ASP A 132 181.426 -8.748 9.882 1.00 0.00 N ATOM 814 CA ASP A 132 181.490 -9.384 11.231 1.00 0.00 C ATOM 815 C ASP A 132 181.003 -10.835 11.185 1.00 0.00 C ATOM 816 O ASP A 132 180.681 -11.368 10.140 1.00 0.00 O ATOM 817 CB ASP A 132 180.563 -8.541 12.109 1.00 0.00 C ATOM 818 CG ASP A 132 181.194 -7.167 12.349 1.00 0.00 C ATOM 819 OD1 ASP A 132 182.410 -7.098 12.422 1.00 0.00 O ATOM 820 OD2 ASP A 132 180.449 -6.207 12.459 1.00 0.00 O ATOM 0 H ASP A 132 180.520 -8.353 9.631 1.00 0.00 H new ATOM 0 HA ASP A 132 182.511 -9.415 11.611 1.00 0.00 H new ATOM 0 HB2 ASP A 132 179.592 -8.427 11.627 1.00 0.00 H new ATOM 0 HB3 ASP A 132 180.389 -9.044 13.060 1.00 0.00 H new ATOM 825 N SER A 133 180.961 -11.471 12.327 1.00 0.00 N ATOM 826 CA SER A 133 180.509 -12.897 12.399 1.00 0.00 C ATOM 827 C SER A 133 179.000 -13.038 12.131 1.00 0.00 C ATOM 828 O SER A 133 178.481 -14.138 12.113 1.00 0.00 O ATOM 829 CB SER A 133 180.837 -13.347 13.821 1.00 0.00 C ATOM 830 OG SER A 133 180.487 -12.315 14.734 1.00 0.00 O ATOM 0 H SER A 133 181.223 -11.061 13.223 1.00 0.00 H new ATOM 0 HA SER A 133 181.005 -13.502 11.641 1.00 0.00 H new ATOM 0 HB2 SER A 133 180.292 -14.260 14.060 1.00 0.00 H new ATOM 0 HB3 SER A 133 181.899 -13.578 13.906 1.00 0.00 H new ATOM 0 HG SER A 133 180.695 -12.602 15.648 1.00 0.00 H new ATOM 836 N ASN A 134 178.296 -11.956 11.896 1.00 0.00 N ATOM 837 CA ASN A 134 176.836 -12.055 11.602 1.00 0.00 C ATOM 838 C ASN A 134 176.569 -11.770 10.114 1.00 0.00 C ATOM 839 O ASN A 134 175.468 -11.962 9.633 1.00 0.00 O ATOM 840 CB ASN A 134 176.175 -10.995 12.483 1.00 0.00 C ATOM 841 CG ASN A 134 174.719 -11.385 12.746 1.00 0.00 C ATOM 842 OD1 ASN A 134 174.097 -12.040 11.932 1.00 0.00 O ATOM 843 ND2 ASN A 134 174.145 -11.009 13.856 1.00 0.00 N ATOM 0 H ASN A 134 178.673 -11.008 11.896 1.00 0.00 H new ATOM 0 HA ASN A 134 176.444 -13.051 11.806 1.00 0.00 H new ATOM 0 HB2 ASN A 134 176.714 -10.903 13.426 1.00 0.00 H new ATOM 0 HB3 ASN A 134 176.219 -10.022 11.994 1.00 0.00 H new ATOM 0 HD21 ASN A 134 173.175 -11.265 14.041 1.00 0.00 H new ATOM 0 HD22 ASN A 134 174.666 -10.460 14.539 1.00 0.00 H new ATOM 850 N GLY A 135 177.563 -11.317 9.380 1.00 0.00 N ATOM 851 CA GLY A 135 177.358 -11.025 7.930 1.00 0.00 C ATOM 852 C GLY A 135 176.806 -9.606 7.761 1.00 0.00 C ATOM 853 O GLY A 135 176.092 -9.317 6.819 1.00 0.00 O ATOM 0 H GLY A 135 178.505 -11.139 9.727 1.00 0.00 H new ATOM 0 HA2 GLY A 135 178.301 -11.125 7.392 1.00 0.00 H new ATOM 0 HA3 GLY A 135 176.666 -11.748 7.498 1.00 0.00 H new ATOM 857 N GLU A 136 177.123 -8.725 8.677 1.00 0.00 N ATOM 858 CA GLU A 136 176.608 -7.326 8.589 1.00 0.00 C ATOM 859 C GLU A 136 177.740 -6.344 8.267 1.00 0.00 C ATOM 860 O GLU A 136 178.835 -6.442 8.787 1.00 0.00 O ATOM 861 CB GLU A 136 176.024 -7.034 9.971 1.00 0.00 C ATOM 862 CG GLU A 136 174.750 -7.861 10.172 1.00 0.00 C ATOM 863 CD GLU A 136 174.152 -7.577 11.556 1.00 0.00 C ATOM 864 OE1 GLU A 136 174.881 -7.114 12.421 1.00 0.00 O ATOM 865 OE2 GLU A 136 172.972 -7.835 11.730 1.00 0.00 O ATOM 0 H GLU A 136 177.718 -8.916 9.483 1.00 0.00 H new ATOM 0 HA GLU A 136 175.869 -7.215 7.795 1.00 0.00 H new ATOM 0 HB2 GLU A 136 176.753 -7.276 10.744 1.00 0.00 H new ATOM 0 HB3 GLU A 136 175.799 -5.972 10.066 1.00 0.00 H new ATOM 0 HG2 GLU A 136 174.023 -7.619 9.396 1.00 0.00 H new ATOM 0 HG3 GLU A 136 174.977 -8.923 10.076 1.00 0.00 H new ATOM 872 N ILE A 137 177.462 -5.394 7.414 1.00 0.00 N ATOM 873 CA ILE A 137 178.493 -4.381 7.040 1.00 0.00 C ATOM 874 C ILE A 137 177.918 -2.972 7.234 1.00 0.00 C ATOM 875 O ILE A 137 176.751 -2.728 6.995 1.00 0.00 O ATOM 876 CB ILE A 137 178.810 -4.656 5.564 1.00 0.00 C ATOM 877 CG1 ILE A 137 179.450 -6.043 5.433 1.00 0.00 C ATOM 878 CG2 ILE A 137 179.790 -3.604 5.033 1.00 0.00 C ATOM 879 CD1 ILE A 137 178.363 -7.120 5.347 1.00 0.00 C ATOM 0 H ILE A 137 176.558 -5.275 6.957 1.00 0.00 H new ATOM 0 HA ILE A 137 179.392 -4.445 7.653 1.00 0.00 H new ATOM 0 HB ILE A 137 177.886 -4.614 4.988 1.00 0.00 H new ATOM 0 HG12 ILE A 137 180.079 -6.079 4.544 1.00 0.00 H new ATOM 0 HG13 ILE A 137 180.097 -6.236 6.289 1.00 0.00 H new ATOM 0 HG21 ILE A 137 180.009 -3.807 3.985 1.00 0.00 H new ATOM 0 HG22 ILE A 137 179.345 -2.613 5.125 1.00 0.00 H new ATOM 0 HG23 ILE A 137 180.713 -3.642 5.611 1.00 0.00 H new ATOM 0 HD11 ILE A 137 178.829 -8.101 5.254 1.00 0.00 H new ATOM 0 HD12 ILE A 137 177.752 -7.093 6.249 1.00 0.00 H new ATOM 0 HD13 ILE A 137 177.734 -6.933 4.477 1.00 0.00 H new ATOM 891 N ASP A 138 178.737 -2.052 7.674 1.00 0.00 N ATOM 892 CA ASP A 138 178.248 -0.656 7.897 1.00 0.00 C ATOM 893 C ASP A 138 177.937 0.012 6.554 1.00 0.00 C ATOM 894 O ASP A 138 178.810 0.209 5.731 1.00 0.00 O ATOM 895 CB ASP A 138 179.397 0.065 8.601 1.00 0.00 C ATOM 896 CG ASP A 138 178.918 1.436 9.083 1.00 0.00 C ATOM 897 OD1 ASP A 138 178.584 2.254 8.241 1.00 0.00 O ATOM 898 OD2 ASP A 138 178.893 1.644 10.284 1.00 0.00 O ATOM 0 H ASP A 138 179.722 -2.205 7.889 1.00 0.00 H new ATOM 0 HA ASP A 138 177.332 -0.629 8.488 1.00 0.00 H new ATOM 0 HB2 ASP A 138 179.749 -0.527 9.446 1.00 0.00 H new ATOM 0 HB3 ASP A 138 180.240 0.181 7.920 1.00 0.00 H new ATOM 903 N TYR A 139 176.690 0.330 6.323 1.00 0.00 N ATOM 904 CA TYR A 139 176.291 0.956 5.024 1.00 0.00 C ATOM 905 C TYR A 139 176.876 2.373 4.869 1.00 0.00 C ATOM 906 O TYR A 139 177.205 2.792 3.775 1.00 0.00 O ATOM 907 CB TYR A 139 174.743 0.966 5.043 1.00 0.00 C ATOM 908 CG TYR A 139 174.190 2.132 5.850 1.00 0.00 C ATOM 909 CD1 TYR A 139 174.201 2.096 7.251 1.00 0.00 C ATOM 910 CD2 TYR A 139 173.668 3.247 5.183 1.00 0.00 C ATOM 911 CE1 TYR A 139 173.690 3.177 7.980 1.00 0.00 C ATOM 912 CE2 TYR A 139 173.157 4.326 5.913 1.00 0.00 C ATOM 913 CZ TYR A 139 173.169 4.291 7.313 1.00 0.00 C ATOM 914 OH TYR A 139 172.665 5.354 8.034 1.00 0.00 O ATOM 0 H TYR A 139 175.925 0.183 6.981 1.00 0.00 H new ATOM 0 HA TYR A 139 176.678 0.400 4.170 1.00 0.00 H new ATOM 0 HB2 TYR A 139 174.368 1.022 4.021 1.00 0.00 H new ATOM 0 HB3 TYR A 139 174.380 0.029 5.464 1.00 0.00 H new ATOM 0 HD1 TYR A 139 174.603 1.237 7.767 1.00 0.00 H new ATOM 0 HD2 TYR A 139 173.660 3.274 4.103 1.00 0.00 H new ATOM 0 HE1 TYR A 139 173.698 3.151 9.060 1.00 0.00 H new ATOM 0 HE2 TYR A 139 172.754 5.185 5.397 1.00 0.00 H new ATOM 0 HH TYR A 139 172.747 5.167 8.993 1.00 0.00 H new ATOM 924 N LYS A 140 176.980 3.116 5.943 1.00 0.00 N ATOM 925 CA LYS A 140 177.512 4.511 5.836 1.00 0.00 C ATOM 926 C LYS A 140 179.014 4.505 5.536 1.00 0.00 C ATOM 927 O LYS A 140 179.509 5.312 4.773 1.00 0.00 O ATOM 928 CB LYS A 140 177.245 5.151 7.204 1.00 0.00 C ATOM 929 CG LYS A 140 176.013 6.055 7.123 1.00 0.00 C ATOM 930 CD LYS A 140 175.558 6.425 8.536 1.00 0.00 C ATOM 931 CE LYS A 140 174.660 7.661 8.476 1.00 0.00 C ATOM 932 NZ LYS A 140 174.571 8.141 9.884 1.00 0.00 N ATOM 0 H LYS A 140 176.721 2.820 6.884 1.00 0.00 H new ATOM 0 HA LYS A 140 177.035 5.060 5.024 1.00 0.00 H new ATOM 0 HB2 LYS A 140 177.089 4.376 7.954 1.00 0.00 H new ATOM 0 HB3 LYS A 140 178.112 5.731 7.520 1.00 0.00 H new ATOM 0 HG2 LYS A 140 176.247 6.957 6.557 1.00 0.00 H new ATOM 0 HG3 LYS A 140 175.209 5.545 6.592 1.00 0.00 H new ATOM 0 HD2 LYS A 140 175.018 5.592 8.985 1.00 0.00 H new ATOM 0 HD3 LYS A 140 176.424 6.622 9.168 1.00 0.00 H new ATOM 0 HE2 LYS A 140 175.083 8.425 7.824 1.00 0.00 H new ATOM 0 HE3 LYS A 140 173.675 7.414 8.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 173.970 8.989 9.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 174.158 7.395 10.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 175.523 8.375 10.232 1.00 0.00 H new ATOM 946 N LYS A 141 179.740 3.610 6.155 1.00 0.00 N ATOM 947 CA LYS A 141 181.218 3.552 5.941 1.00 0.00 C ATOM 948 C LYS A 141 181.567 3.147 4.506 1.00 0.00 C ATOM 949 O LYS A 141 182.452 3.715 3.895 1.00 0.00 O ATOM 950 CB LYS A 141 181.729 2.498 6.925 1.00 0.00 C ATOM 951 CG LYS A 141 181.612 3.034 8.353 1.00 0.00 C ATOM 952 CD LYS A 141 182.156 1.994 9.334 1.00 0.00 C ATOM 953 CE LYS A 141 182.040 2.528 10.765 1.00 0.00 C ATOM 954 NZ LYS A 141 182.787 1.547 11.601 1.00 0.00 N ATOM 0 H LYS A 141 179.371 2.913 6.803 1.00 0.00 H new ATOM 0 HA LYS A 141 181.674 4.529 6.102 1.00 0.00 H new ATOM 0 HB2 LYS A 141 181.152 1.579 6.822 1.00 0.00 H new ATOM 0 HB3 LYS A 141 182.767 2.250 6.702 1.00 0.00 H new ATOM 0 HG2 LYS A 141 182.168 3.967 8.450 1.00 0.00 H new ATOM 0 HG3 LYS A 141 180.571 3.258 8.585 1.00 0.00 H new ATOM 0 HD2 LYS A 141 181.600 1.062 9.237 1.00 0.00 H new ATOM 0 HD3 LYS A 141 183.197 1.770 9.102 1.00 0.00 H new ATOM 0 HE2 LYS A 141 182.468 3.527 10.850 1.00 0.00 H new ATOM 0 HE3 LYS A 141 180.998 2.600 11.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 182.754 1.843 12.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 182.353 0.607 11.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 183.777 1.505 11.285 1.00 0.00 H new ATOM 968 N PHE A 142 180.901 2.149 3.977 1.00 0.00 N ATOM 969 CA PHE A 142 181.224 1.685 2.594 1.00 0.00 C ATOM 970 C PHE A 142 180.788 2.726 1.568 1.00 0.00 C ATOM 971 O PHE A 142 181.365 2.834 0.505 1.00 0.00 O ATOM 972 CB PHE A 142 180.465 0.372 2.400 1.00 0.00 C ATOM 973 CG PHE A 142 180.993 -0.340 1.177 1.00 0.00 C ATOM 974 CD1 PHE A 142 182.342 -0.703 1.107 1.00 0.00 C ATOM 975 CD2 PHE A 142 180.130 -0.643 0.114 1.00 0.00 C ATOM 976 CE1 PHE A 142 182.833 -1.367 -0.023 1.00 0.00 C ATOM 977 CE2 PHE A 142 180.622 -1.309 -1.017 1.00 0.00 C ATOM 978 CZ PHE A 142 181.972 -1.671 -1.085 1.00 0.00 C ATOM 0 H PHE A 142 180.151 1.638 4.442 1.00 0.00 H new ATOM 0 HA PHE A 142 182.296 1.541 2.459 1.00 0.00 H new ATOM 0 HB2 PHE A 142 180.581 -0.260 3.280 1.00 0.00 H new ATOM 0 HB3 PHE A 142 179.399 0.569 2.287 1.00 0.00 H new ATOM 0 HD1 PHE A 142 183.006 -0.470 1.926 1.00 0.00 H new ATOM 0 HD2 PHE A 142 179.088 -0.364 0.167 1.00 0.00 H new ATOM 0 HE1 PHE A 142 183.875 -1.645 -0.076 1.00 0.00 H new ATOM 0 HE2 PHE A 142 179.959 -1.543 -1.837 1.00 0.00 H new ATOM 0 HZ PHE A 142 182.350 -2.185 -1.956 1.00 0.00 H new ATOM 988 N ILE A 143 179.784 3.500 1.878 1.00 0.00 N ATOM 989 CA ILE A 143 179.316 4.547 0.926 1.00 0.00 C ATOM 990 C ILE A 143 180.232 5.777 1.001 1.00 0.00 C ATOM 991 O ILE A 143 180.689 6.276 -0.010 1.00 0.00 O ATOM 992 CB ILE A 143 177.889 4.878 1.386 1.00 0.00 C ATOM 993 CG1 ILE A 143 176.986 3.667 1.137 1.00 0.00 C ATOM 994 CG2 ILE A 143 177.344 6.078 0.611 1.00 0.00 C ATOM 995 CD1 ILE A 143 175.633 3.891 1.813 1.00 0.00 C ATOM 0 H ILE A 143 179.265 3.452 2.755 1.00 0.00 H new ATOM 0 HA ILE A 143 179.336 4.216 -0.112 1.00 0.00 H new ATOM 0 HB ILE A 143 177.908 5.121 2.448 1.00 0.00 H new ATOM 0 HG12 ILE A 143 176.849 3.517 0.066 1.00 0.00 H new ATOM 0 HG13 ILE A 143 177.455 2.764 1.528 1.00 0.00 H new ATOM 0 HG21 ILE A 143 176.332 6.300 0.949 1.00 0.00 H new ATOM 0 HG22 ILE A 143 177.983 6.944 0.785 1.00 0.00 H new ATOM 0 HG23 ILE A 143 177.329 5.847 -0.454 1.00 0.00 H new ATOM 0 HD11 ILE A 143 174.990 3.029 1.635 1.00 0.00 H new ATOM 0 HD12 ILE A 143 175.779 4.020 2.885 1.00 0.00 H new ATOM 0 HD13 ILE A 143 175.164 4.784 1.401 1.00 0.00 H new ATOM 1007 N GLU A 144 180.507 6.259 2.185 1.00 0.00 N ATOM 1008 CA GLU A 144 181.402 7.452 2.321 1.00 0.00 C ATOM 1009 C GLU A 144 182.782 7.150 1.731 1.00 0.00 C ATOM 1010 O GLU A 144 183.468 8.041 1.267 1.00 0.00 O ATOM 1011 CB GLU A 144 181.511 7.707 3.826 1.00 0.00 C ATOM 1012 CG GLU A 144 180.171 8.223 4.356 1.00 0.00 C ATOM 1013 CD GLU A 144 180.274 8.479 5.863 1.00 0.00 C ATOM 1014 OE1 GLU A 144 181.361 8.790 6.322 1.00 0.00 O ATOM 1015 OE2 GLU A 144 179.261 8.361 6.533 1.00 0.00 O ATOM 0 H GLU A 144 180.152 5.881 3.063 1.00 0.00 H new ATOM 0 HA GLU A 144 181.009 8.319 1.790 1.00 0.00 H new ATOM 0 HB2 GLU A 144 181.788 6.788 4.342 1.00 0.00 H new ATOM 0 HB3 GLU A 144 182.298 8.435 4.026 1.00 0.00 H new ATOM 0 HG2 GLU A 144 179.895 9.142 3.840 1.00 0.00 H new ATOM 0 HG3 GLU A 144 179.385 7.495 4.154 1.00 0.00 H new ATOM 1022 N ASP A 145 183.189 5.905 1.730 1.00 0.00 N ATOM 1023 CA ASP A 145 184.522 5.559 1.151 1.00 0.00 C ATOM 1024 C ASP A 145 184.397 5.249 -0.351 1.00 0.00 C ATOM 1025 O ASP A 145 185.379 5.267 -1.070 1.00 0.00 O ATOM 1026 CB ASP A 145 185.015 4.342 1.933 1.00 0.00 C ATOM 1027 CG ASP A 145 186.418 3.963 1.457 1.00 0.00 C ATOM 1028 OD1 ASP A 145 186.526 3.417 0.371 1.00 0.00 O ATOM 1029 OD2 ASP A 145 187.361 4.223 2.186 1.00 0.00 O ATOM 0 H ASP A 145 182.659 5.118 2.103 1.00 0.00 H new ATOM 0 HA ASP A 145 185.226 6.387 1.234 1.00 0.00 H new ATOM 0 HB2 ASP A 145 185.029 4.564 3.000 1.00 0.00 H new ATOM 0 HB3 ASP A 145 184.333 3.504 1.790 1.00 0.00 H new ATOM 1034 N VAL A 146 183.203 5.005 -0.839 1.00 0.00 N ATOM 1035 CA VAL A 146 183.027 4.742 -2.302 1.00 0.00 C ATOM 1036 C VAL A 146 182.587 6.044 -2.992 1.00 0.00 C ATOM 1037 O VAL A 146 183.130 6.440 -4.005 1.00 0.00 O ATOM 1038 CB VAL A 146 181.948 3.648 -2.388 1.00 0.00 C ATOM 1039 CG1 VAL A 146 181.476 3.470 -3.838 1.00 0.00 C ATOM 1040 CG2 VAL A 146 182.538 2.325 -1.896 1.00 0.00 C ATOM 0 H VAL A 146 182.345 4.977 -0.288 1.00 0.00 H new ATOM 0 HA VAL A 146 183.940 4.415 -2.799 1.00 0.00 H new ATOM 0 HB VAL A 146 181.099 3.942 -1.770 1.00 0.00 H new ATOM 0 HG11 VAL A 146 180.713 2.692 -3.879 1.00 0.00 H new ATOM 0 HG12 VAL A 146 181.058 4.408 -4.202 1.00 0.00 H new ATOM 0 HG13 VAL A 146 182.321 3.183 -4.463 1.00 0.00 H new ATOM 0 HG21 VAL A 146 181.779 1.544 -1.954 1.00 0.00 H new ATOM 0 HG22 VAL A 146 183.389 2.051 -2.520 1.00 0.00 H new ATOM 0 HG23 VAL A 146 182.867 2.435 -0.863 1.00 0.00 H new ATOM 1050 N LEU A 147 181.606 6.707 -2.433 1.00 0.00 N ATOM 1051 CA LEU A 147 181.109 7.991 -3.025 1.00 0.00 C ATOM 1052 C LEU A 147 182.205 9.061 -3.028 1.00 0.00 C ATOM 1053 O LEU A 147 182.181 9.983 -3.822 1.00 0.00 O ATOM 1054 CB LEU A 147 179.943 8.426 -2.128 1.00 0.00 C ATOM 1055 CG LEU A 147 178.744 8.828 -2.992 1.00 0.00 C ATOM 1056 CD1 LEU A 147 177.474 8.816 -2.141 1.00 0.00 C ATOM 1057 CD2 LEU A 147 178.970 10.235 -3.552 1.00 0.00 C ATOM 0 H LEU A 147 181.123 6.413 -1.584 1.00 0.00 H new ATOM 0 HA LEU A 147 180.804 7.858 -4.063 1.00 0.00 H new ATOM 0 HB2 LEU A 147 179.664 7.612 -1.459 1.00 0.00 H new ATOM 0 HB3 LEU A 147 180.248 9.264 -1.501 1.00 0.00 H new ATOM 0 HG LEU A 147 178.635 8.121 -3.815 1.00 0.00 H new ATOM 0 HD11 LEU A 147 176.621 9.102 -2.756 1.00 0.00 H new ATOM 0 HD12 LEU A 147 177.313 7.815 -1.741 1.00 0.00 H new ATOM 0 HD13 LEU A 147 177.581 9.523 -1.318 1.00 0.00 H new ATOM 0 HD21 LEU A 147 178.118 10.523 -4.167 1.00 0.00 H new ATOM 0 HD22 LEU A 147 179.078 10.941 -2.729 1.00 0.00 H new ATOM 0 HD23 LEU A 147 179.875 10.244 -4.159 1.00 0.00 H new ATOM 1069 N ARG A 148 183.163 8.945 -2.144 1.00 0.00 N ATOM 1070 CA ARG A 148 184.272 9.956 -2.084 1.00 0.00 C ATOM 1071 C ARG A 148 184.955 10.089 -3.450 1.00 0.00 C ATOM 1072 O ARG A 148 185.170 11.181 -3.942 1.00 0.00 O ATOM 1073 CB ARG A 148 185.264 9.398 -1.059 1.00 0.00 C ATOM 1074 CG ARG A 148 185.032 10.066 0.299 1.00 0.00 C ATOM 1075 CD ARG A 148 185.599 11.486 0.275 1.00 0.00 C ATOM 1076 NE ARG A 148 187.078 11.313 0.341 1.00 0.00 N ATOM 1077 CZ ARG A 148 187.866 12.272 -0.062 1.00 0.00 C ATOM 1078 NH1 ARG A 148 187.652 12.852 -1.211 1.00 0.00 N ATOM 1079 NH2 ARG A 148 188.867 12.652 0.684 1.00 0.00 N ATOM 0 H ARG A 148 183.229 8.193 -1.458 1.00 0.00 H new ATOM 0 HA ARG A 148 183.903 10.945 -1.812 1.00 0.00 H new ATOM 0 HB2 ARG A 148 185.141 8.319 -0.970 1.00 0.00 H new ATOM 0 HB3 ARG A 148 186.286 9.576 -1.393 1.00 0.00 H new ATOM 0 HG2 ARG A 148 183.966 10.093 0.525 1.00 0.00 H new ATOM 0 HG3 ARG A 148 185.511 9.486 1.088 1.00 0.00 H new ATOM 0 HD2 ARG A 148 185.304 12.013 -0.632 1.00 0.00 H new ATOM 0 HD3 ARG A 148 185.232 12.072 1.118 1.00 0.00 H new ATOM 0 HE ARG A 148 187.474 10.445 0.701 1.00 0.00 H new ATOM 0 HH11 ARG A 148 186.869 12.556 -1.794 1.00 0.00 H new ATOM 0 HH12 ARG A 148 188.268 13.602 -1.526 1.00 0.00 H new ATOM 0 HH21 ARG A 148 189.034 12.199 1.583 1.00 0.00 H new ATOM 0 HH22 ARG A 148 189.483 13.402 0.368 1.00 0.00 H new ATOM 1093 N GLN A 149 185.297 8.984 -4.061 1.00 0.00 N ATOM 1094 CA GLN A 149 185.969 9.035 -5.395 1.00 0.00 C ATOM 1095 C GLN A 149 185.390 7.963 -6.322 1.00 0.00 C ATOM 1096 O GLN A 149 185.375 8.189 -7.520 1.00 0.00 O ATOM 1097 CB GLN A 149 187.443 8.754 -5.103 1.00 0.00 C ATOM 1098 CG GLN A 149 188.049 9.941 -4.351 1.00 0.00 C ATOM 1099 CD GLN A 149 189.524 9.662 -4.056 1.00 0.00 C ATOM 1100 OE1 GLN A 149 190.229 9.120 -4.883 1.00 0.00 O ATOM 1101 NE2 GLN A 149 190.022 10.010 -2.902 1.00 0.00 N ATOM 1102 OXT GLN A 149 184.971 6.935 -5.816 1.00 0.00 O ATOM 0 H GLN A 149 185.140 8.046 -3.693 1.00 0.00 H new ATOM 0 HA GLN A 149 185.827 9.994 -5.894 1.00 0.00 H new ATOM 0 HB2 GLN A 149 187.540 7.845 -4.509 1.00 0.00 H new ATOM 0 HB3 GLN A 149 187.984 8.585 -6.034 1.00 0.00 H new ATOM 0 HG2 GLN A 149 187.952 10.849 -4.946 1.00 0.00 H new ATOM 0 HG3 GLN A 149 187.507 10.110 -3.420 1.00 0.00 H new ATOM 0 HE21 GLN A 149 189.430 10.465 -2.207 1.00 0.00 H new ATOM 0 HE22 GLN A 149 191.004 9.827 -2.694 1.00 0.00 H new TER 1111 GLN A 149