USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=12 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+ 165:sc= 0 (180deg=-0.308) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.02 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -2.86! C(o=-2.9!,f=-4.9!) USER MOD Single : A 95 LYS NZ :NH3+ -151:sc= -0.208 (180deg=-0.514) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.00727 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0.107 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 157:sc= -1.68 (180deg=-3.49!) USER MOD Single : A 111 THR OG1 : rot 101:sc= 1.26 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.0018 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 ASN : amide:sc= 0.895 K(o=0.89,f=-2.9!) USER MOD Single : A 139 TYR OH : rot 150:sc= 0 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= -0.152 K(o=-0.15,f=-0.9) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 80 177.857 16.404 -7.367 1.00 0.00 N ATOM 2 CA LYS A 80 176.652 16.229 -8.229 1.00 0.00 C ATOM 3 C LYS A 80 175.455 15.798 -7.378 1.00 0.00 C ATOM 4 O LYS A 80 174.410 16.419 -7.382 1.00 0.00 O ATOM 5 CB LYS A 80 177.033 15.129 -9.221 1.00 0.00 C ATOM 6 CG LYS A 80 176.027 15.109 -10.373 1.00 0.00 C ATOM 7 CD LYS A 80 176.333 16.257 -11.338 1.00 0.00 C ATOM 8 CE LYS A 80 175.801 15.909 -12.731 1.00 0.00 C ATOM 9 NZ LYS A 80 175.869 17.184 -13.498 1.00 0.00 N ATOM 0 HA LYS A 80 176.365 17.151 -8.735 1.00 0.00 H new ATOM 0 HB2 LYS A 80 178.038 15.303 -9.605 1.00 0.00 H new ATOM 0 HB3 LYS A 80 177.047 14.161 -8.719 1.00 0.00 H new ATOM 0 HG2 LYS A 80 176.078 14.155 -10.898 1.00 0.00 H new ATOM 0 HG3 LYS A 80 175.013 15.206 -9.986 1.00 0.00 H new ATOM 0 HD2 LYS A 80 175.873 17.178 -10.981 1.00 0.00 H new ATOM 0 HD3 LYS A 80 177.408 16.433 -11.381 1.00 0.00 H new ATOM 0 HE2 LYS A 80 176.404 15.133 -13.201 1.00 0.00 H new ATOM 0 HE3 LYS A 80 174.779 15.532 -12.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 175.520 17.026 -14.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 175.280 17.902 -13.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 176.854 17.515 -13.535 1.00 0.00 H new ATOM 23 N ALA A 81 175.619 14.728 -6.647 1.00 0.00 N ATOM 24 CA ALA A 81 174.525 14.210 -5.773 1.00 0.00 C ATOM 25 C ALA A 81 174.890 14.414 -4.301 1.00 0.00 C ATOM 26 O ALA A 81 176.046 14.607 -3.970 1.00 0.00 O ATOM 27 CB ALA A 81 174.455 12.716 -6.093 1.00 0.00 C ATOM 0 H ALA A 81 176.480 14.181 -6.618 1.00 0.00 H new ATOM 0 HA ALA A 81 173.576 14.719 -5.944 1.00 0.00 H new ATOM 0 HB1 ALA A 81 173.673 12.252 -5.492 1.00 0.00 H new ATOM 0 HB2 ALA A 81 174.229 12.581 -7.151 1.00 0.00 H new ATOM 0 HB3 ALA A 81 175.413 12.250 -5.864 1.00 0.00 H new ATOM 33 N LYS A 82 173.923 14.389 -3.417 1.00 0.00 N ATOM 34 CA LYS A 82 174.227 14.600 -1.974 1.00 0.00 C ATOM 35 C LYS A 82 174.064 13.301 -1.184 1.00 0.00 C ATOM 36 O LYS A 82 173.409 12.370 -1.609 1.00 0.00 O ATOM 37 CB LYS A 82 173.214 15.645 -1.507 1.00 0.00 C ATOM 38 CG LYS A 82 173.635 16.190 -0.141 1.00 0.00 C ATOM 39 CD LYS A 82 172.866 17.480 0.152 1.00 0.00 C ATOM 40 CE LYS A 82 173.065 17.874 1.618 1.00 0.00 C ATOM 41 NZ LYS A 82 174.479 18.332 1.705 1.00 0.00 N ATOM 0 H LYS A 82 172.939 14.232 -3.635 1.00 0.00 H new ATOM 0 HA LYS A 82 175.256 14.925 -1.819 1.00 0.00 H new ATOM 0 HB2 LYS A 82 173.153 16.457 -2.231 1.00 0.00 H new ATOM 0 HB3 LYS A 82 172.221 15.201 -1.443 1.00 0.00 H new ATOM 0 HG2 LYS A 82 173.435 15.451 0.635 1.00 0.00 H new ATOM 0 HG3 LYS A 82 174.708 16.383 -0.129 1.00 0.00 H new ATOM 0 HD2 LYS A 82 173.215 18.280 -0.501 1.00 0.00 H new ATOM 0 HD3 LYS A 82 171.806 17.339 -0.056 1.00 0.00 H new ATOM 0 HE2 LYS A 82 172.375 18.665 1.911 1.00 0.00 H new ATOM 0 HE3 LYS A 82 172.882 17.029 2.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 174.622 18.850 2.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 175.113 17.508 1.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 174.691 18.958 0.902 1.00 0.00 H new ATOM 55 N THR A 83 174.674 13.252 -0.024 1.00 0.00 N ATOM 56 CA THR A 83 174.585 12.028 0.838 1.00 0.00 C ATOM 57 C THR A 83 173.113 11.627 1.010 1.00 0.00 C ATOM 58 O THR A 83 172.782 10.468 1.156 1.00 0.00 O ATOM 59 CB THR A 83 175.199 12.434 2.181 1.00 0.00 C ATOM 60 OG1 THR A 83 176.467 13.035 1.956 1.00 0.00 O ATOM 61 CG2 THR A 83 175.369 11.201 3.075 1.00 0.00 C ATOM 0 H THR A 83 175.233 14.011 0.366 1.00 0.00 H new ATOM 0 HA THR A 83 175.105 11.173 0.406 1.00 0.00 H new ATOM 0 HB THR A 83 174.538 13.144 2.677 1.00 0.00 H new ATOM 0 HG1 THR A 83 176.861 13.297 2.814 1.00 0.00 H new ATOM 0 HG21 THR A 83 175.806 11.500 4.028 1.00 0.00 H new ATOM 0 HG22 THR A 83 174.396 10.742 3.250 1.00 0.00 H new ATOM 0 HG23 THR A 83 176.026 10.483 2.584 1.00 0.00 H new ATOM 69 N GLU A 84 172.237 12.597 0.984 1.00 0.00 N ATOM 70 CA GLU A 84 170.771 12.322 1.135 1.00 0.00 C ATOM 71 C GLU A 84 170.301 11.251 0.144 1.00 0.00 C ATOM 72 O GLU A 84 169.462 10.429 0.463 1.00 0.00 O ATOM 73 CB GLU A 84 170.095 13.656 0.810 1.00 0.00 C ATOM 74 CG GLU A 84 170.306 14.632 1.971 1.00 0.00 C ATOM 75 CD GLU A 84 169.463 15.887 1.742 1.00 0.00 C ATOM 76 OE1 GLU A 84 169.882 16.725 0.960 1.00 0.00 O ATOM 77 OE2 GLU A 84 168.411 15.991 2.352 1.00 0.00 O ATOM 0 H GLU A 84 172.475 13.581 0.863 1.00 0.00 H new ATOM 0 HA GLU A 84 170.532 11.952 2.132 1.00 0.00 H new ATOM 0 HB2 GLU A 84 170.510 14.072 -0.108 1.00 0.00 H new ATOM 0 HB3 GLU A 84 169.029 13.504 0.638 1.00 0.00 H new ATOM 0 HG2 GLU A 84 170.026 14.160 2.913 1.00 0.00 H new ATOM 0 HG3 GLU A 84 171.360 14.898 2.049 1.00 0.00 H new ATOM 84 N ASP A 85 170.832 11.259 -1.052 1.00 0.00 N ATOM 85 CA ASP A 85 170.411 10.243 -2.068 1.00 0.00 C ATOM 86 C ASP A 85 170.711 8.832 -1.549 1.00 0.00 C ATOM 87 O ASP A 85 169.858 7.965 -1.548 1.00 0.00 O ATOM 88 CB ASP A 85 171.249 10.549 -3.314 1.00 0.00 C ATOM 89 CG ASP A 85 170.867 9.589 -4.441 1.00 0.00 C ATOM 90 OD1 ASP A 85 169.872 9.844 -5.098 1.00 0.00 O ATOM 91 OD2 ASP A 85 171.579 8.616 -4.629 1.00 0.00 O ATOM 0 H ASP A 85 171.538 11.923 -1.370 1.00 0.00 H new ATOM 0 HA ASP A 85 169.343 10.287 -2.281 1.00 0.00 H new ATOM 0 HB2 ASP A 85 171.085 11.579 -3.630 1.00 0.00 H new ATOM 0 HB3 ASP A 85 172.310 10.451 -3.084 1.00 0.00 H new ATOM 96 N PHE A 86 171.920 8.608 -1.108 1.00 0.00 N ATOM 97 CA PHE A 86 172.299 7.262 -0.582 1.00 0.00 C ATOM 98 C PHE A 86 171.715 7.040 0.818 1.00 0.00 C ATOM 99 O PHE A 86 171.284 5.950 1.146 1.00 0.00 O ATOM 100 CB PHE A 86 173.832 7.270 -0.522 1.00 0.00 C ATOM 101 CG PHE A 86 174.396 6.601 -1.756 1.00 0.00 C ATOM 102 CD1 PHE A 86 173.981 5.311 -2.105 1.00 0.00 C ATOM 103 CD2 PHE A 86 175.335 7.272 -2.552 1.00 0.00 C ATOM 104 CE1 PHE A 86 174.500 4.690 -3.248 1.00 0.00 C ATOM 105 CE2 PHE A 86 175.853 6.651 -3.696 1.00 0.00 C ATOM 106 CZ PHE A 86 175.436 5.360 -4.043 1.00 0.00 C ATOM 0 H PHE A 86 172.666 9.303 -1.089 1.00 0.00 H new ATOM 0 HA PHE A 86 171.915 6.461 -1.214 1.00 0.00 H new ATOM 0 HB2 PHE A 86 174.197 8.295 -0.454 1.00 0.00 H new ATOM 0 HB3 PHE A 86 174.173 6.750 0.373 1.00 0.00 H new ATOM 0 HD1 PHE A 86 173.259 4.793 -1.491 1.00 0.00 H new ATOM 0 HD2 PHE A 86 175.659 8.267 -2.284 1.00 0.00 H new ATOM 0 HE1 PHE A 86 174.178 3.694 -3.515 1.00 0.00 H new ATOM 0 HE2 PHE A 86 176.575 7.168 -4.311 1.00 0.00 H new ATOM 0 HZ PHE A 86 175.837 4.882 -4.924 1.00 0.00 H new ATOM 116 N VAL A 87 171.720 8.050 1.655 1.00 0.00 N ATOM 117 CA VAL A 87 171.189 7.873 3.045 1.00 0.00 C ATOM 118 C VAL A 87 169.705 7.482 3.002 1.00 0.00 C ATOM 119 O VAL A 87 169.282 6.537 3.640 1.00 0.00 O ATOM 120 CB VAL A 87 171.369 9.242 3.714 1.00 0.00 C ATOM 121 CG1 VAL A 87 170.823 9.201 5.146 1.00 0.00 C ATOM 122 CG2 VAL A 87 172.861 9.593 3.754 1.00 0.00 C ATOM 0 H VAL A 87 172.067 8.984 1.438 1.00 0.00 H new ATOM 0 HA VAL A 87 171.707 7.083 3.588 1.00 0.00 H new ATOM 0 HB VAL A 87 170.825 9.994 3.143 1.00 0.00 H new ATOM 0 HG11 VAL A 87 170.955 10.177 5.614 1.00 0.00 H new ATOM 0 HG12 VAL A 87 169.763 8.949 5.124 1.00 0.00 H new ATOM 0 HG13 VAL A 87 171.363 8.448 5.720 1.00 0.00 H new ATOM 0 HG21 VAL A 87 172.993 10.565 4.229 1.00 0.00 H new ATOM 0 HG22 VAL A 87 173.398 8.835 4.324 1.00 0.00 H new ATOM 0 HG23 VAL A 87 173.254 9.629 2.738 1.00 0.00 H new ATOM 132 N LYS A 88 168.917 8.217 2.259 1.00 0.00 N ATOM 133 CA LYS A 88 167.452 7.919 2.168 1.00 0.00 C ATOM 134 C LYS A 88 167.214 6.513 1.616 1.00 0.00 C ATOM 135 O LYS A 88 166.288 5.831 2.006 1.00 0.00 O ATOM 136 CB LYS A 88 166.892 8.961 1.199 1.00 0.00 C ATOM 137 CG LYS A 88 166.759 10.309 1.910 1.00 0.00 C ATOM 138 CD LYS A 88 165.481 10.320 2.750 1.00 0.00 C ATOM 139 CE LYS A 88 165.201 11.745 3.234 1.00 0.00 C ATOM 140 NZ LYS A 88 163.734 11.779 3.496 1.00 0.00 N ATOM 0 H LYS A 88 169.226 9.017 1.707 1.00 0.00 H new ATOM 0 HA LYS A 88 166.974 7.960 3.147 1.00 0.00 H new ATOM 0 HB2 LYS A 88 167.549 9.058 0.335 1.00 0.00 H new ATOM 0 HB3 LYS A 88 165.920 8.639 0.825 1.00 0.00 H new ATOM 0 HG2 LYS A 88 167.626 10.483 2.547 1.00 0.00 H new ATOM 0 HG3 LYS A 88 166.733 11.117 1.179 1.00 0.00 H new ATOM 0 HD2 LYS A 88 164.642 9.954 2.159 1.00 0.00 H new ATOM 0 HD3 LYS A 88 165.588 9.649 3.603 1.00 0.00 H new ATOM 0 HE2 LYS A 88 165.769 11.975 4.136 1.00 0.00 H new ATOM 0 HE3 LYS A 88 165.485 12.481 2.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 163.463 12.725 3.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 163.220 11.563 2.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 163.494 11.073 4.221 1.00 0.00 H new ATOM 154 N ALA A 89 168.036 6.091 0.697 1.00 0.00 N ATOM 155 CA ALA A 89 167.862 4.737 0.085 1.00 0.00 C ATOM 156 C ALA A 89 168.007 3.626 1.127 1.00 0.00 C ATOM 157 O ALA A 89 167.189 2.727 1.194 1.00 0.00 O ATOM 158 CB ALA A 89 168.970 4.626 -0.963 1.00 0.00 C ATOM 0 H ALA A 89 168.827 6.626 0.339 1.00 0.00 H new ATOM 0 HA ALA A 89 166.867 4.624 -0.345 1.00 0.00 H new ATOM 0 HB1 ALA A 89 168.908 3.656 -1.457 1.00 0.00 H new ATOM 0 HB2 ALA A 89 168.852 5.418 -1.702 1.00 0.00 H new ATOM 0 HB3 ALA A 89 169.941 4.724 -0.478 1.00 0.00 H new ATOM 164 N PHE A 90 169.045 3.661 1.923 1.00 0.00 N ATOM 165 CA PHE A 90 169.246 2.583 2.941 1.00 0.00 C ATOM 166 C PHE A 90 168.329 2.770 4.155 1.00 0.00 C ATOM 167 O PHE A 90 167.610 1.871 4.544 1.00 0.00 O ATOM 168 CB PHE A 90 170.712 2.707 3.358 1.00 0.00 C ATOM 169 CG PHE A 90 171.569 1.901 2.416 1.00 0.00 C ATOM 170 CD1 PHE A 90 172.071 2.485 1.246 1.00 0.00 C ATOM 171 CD2 PHE A 90 171.861 0.569 2.715 1.00 0.00 C ATOM 172 CE1 PHE A 90 172.867 1.730 0.376 1.00 0.00 C ATOM 173 CE2 PHE A 90 172.656 -0.185 1.847 1.00 0.00 C ATOM 174 CZ PHE A 90 173.159 0.394 0.678 1.00 0.00 C ATOM 0 H PHE A 90 169.761 4.387 1.913 1.00 0.00 H new ATOM 0 HA PHE A 90 169.006 1.601 2.533 1.00 0.00 H new ATOM 0 HB2 PHE A 90 171.019 3.753 3.342 1.00 0.00 H new ATOM 0 HB3 PHE A 90 170.842 2.352 4.380 1.00 0.00 H new ATOM 0 HD1 PHE A 90 171.845 3.516 1.015 1.00 0.00 H new ATOM 0 HD2 PHE A 90 171.472 0.121 3.618 1.00 0.00 H new ATOM 0 HE1 PHE A 90 173.255 2.177 -0.527 1.00 0.00 H new ATOM 0 HE2 PHE A 90 172.882 -1.215 2.079 1.00 0.00 H new ATOM 0 HZ PHE A 90 173.773 -0.189 0.008 1.00 0.00 H new ATOM 184 N GLN A 91 168.401 3.912 4.790 1.00 0.00 N ATOM 185 CA GLN A 91 167.594 4.153 6.032 1.00 0.00 C ATOM 186 C GLN A 91 166.119 3.758 5.876 1.00 0.00 C ATOM 187 O GLN A 91 165.508 3.309 6.829 1.00 0.00 O ATOM 188 CB GLN A 91 167.712 5.655 6.297 1.00 0.00 C ATOM 189 CG GLN A 91 169.079 5.959 6.912 1.00 0.00 C ATOM 190 CD GLN A 91 169.092 7.394 7.442 1.00 0.00 C ATOM 191 OE1 GLN A 91 168.734 8.318 6.739 1.00 0.00 O ATOM 192 NE2 GLN A 91 169.491 7.621 8.664 1.00 0.00 N ATOM 0 H GLN A 91 168.987 4.695 4.502 1.00 0.00 H new ATOM 0 HA GLN A 91 167.969 3.541 6.852 1.00 0.00 H new ATOM 0 HB2 GLN A 91 167.588 6.210 5.367 1.00 0.00 H new ATOM 0 HB3 GLN A 91 166.918 5.980 6.970 1.00 0.00 H new ATOM 0 HG2 GLN A 91 169.289 5.259 7.721 1.00 0.00 H new ATOM 0 HG3 GLN A 91 169.863 5.829 6.166 1.00 0.00 H new ATOM 0 HE21 GLN A 91 169.792 6.846 9.255 1.00 0.00 H new ATOM 0 HE22 GLN A 91 169.502 8.574 9.028 1.00 0.00 H new ATOM 201 N VAL A 92 165.529 3.919 4.714 1.00 0.00 N ATOM 202 CA VAL A 92 164.085 3.542 4.571 1.00 0.00 C ATOM 203 C VAL A 92 163.914 2.037 4.840 1.00 0.00 C ATOM 204 O VAL A 92 162.927 1.609 5.406 1.00 0.00 O ATOM 205 CB VAL A 92 163.695 3.915 3.134 1.00 0.00 C ATOM 206 CG1 VAL A 92 162.266 3.448 2.836 1.00 0.00 C ATOM 207 CG2 VAL A 92 163.768 5.435 2.971 1.00 0.00 C ATOM 0 H VAL A 92 165.974 4.288 3.874 1.00 0.00 H new ATOM 0 HA VAL A 92 163.444 4.060 5.284 1.00 0.00 H new ATOM 0 HB VAL A 92 164.383 3.429 2.441 1.00 0.00 H new ATOM 0 HG11 VAL A 92 162.001 3.718 1.814 1.00 0.00 H new ATOM 0 HG12 VAL A 92 162.205 2.366 2.953 1.00 0.00 H new ATOM 0 HG13 VAL A 92 161.575 3.927 3.529 1.00 0.00 H new ATOM 0 HG21 VAL A 92 163.492 5.705 1.952 1.00 0.00 H new ATOM 0 HG22 VAL A 92 163.080 5.909 3.671 1.00 0.00 H new ATOM 0 HG23 VAL A 92 164.784 5.774 3.174 1.00 0.00 H new ATOM 217 N PHE A 93 164.887 1.242 4.461 1.00 0.00 N ATOM 218 CA PHE A 93 164.801 -0.230 4.719 1.00 0.00 C ATOM 219 C PHE A 93 165.007 -0.485 6.215 1.00 0.00 C ATOM 220 O PHE A 93 164.205 -1.149 6.846 1.00 0.00 O ATOM 221 CB PHE A 93 165.935 -0.852 3.902 1.00 0.00 C ATOM 222 CG PHE A 93 165.637 -2.311 3.653 1.00 0.00 C ATOM 223 CD1 PHE A 93 165.532 -3.201 4.730 1.00 0.00 C ATOM 224 CD2 PHE A 93 165.466 -2.774 2.345 1.00 0.00 C ATOM 225 CE1 PHE A 93 165.255 -4.552 4.496 1.00 0.00 C ATOM 226 CE2 PHE A 93 165.188 -4.126 2.110 1.00 0.00 C ATOM 227 CZ PHE A 93 165.083 -5.016 3.186 1.00 0.00 C ATOM 0 H PHE A 93 165.735 1.549 3.985 1.00 0.00 H new ATOM 0 HA PHE A 93 163.837 -0.654 4.440 1.00 0.00 H new ATOM 0 HB2 PHE A 93 166.045 -0.326 2.954 1.00 0.00 H new ATOM 0 HB3 PHE A 93 166.880 -0.749 4.435 1.00 0.00 H new ATOM 0 HD1 PHE A 93 165.665 -2.844 5.741 1.00 0.00 H new ATOM 0 HD2 PHE A 93 165.548 -2.088 1.515 1.00 0.00 H new ATOM 0 HE1 PHE A 93 165.174 -5.238 5.326 1.00 0.00 H new ATOM 0 HE2 PHE A 93 165.055 -4.482 1.099 1.00 0.00 H new ATOM 0 HZ PHE A 93 164.870 -6.059 3.006 1.00 0.00 H new ATOM 237 N ASP A 94 166.065 0.033 6.792 1.00 0.00 N ATOM 238 CA ASP A 94 166.295 -0.195 8.255 1.00 0.00 C ATOM 239 C ASP A 94 165.514 0.843 9.063 1.00 0.00 C ATOM 240 O ASP A 94 166.046 1.852 9.484 1.00 0.00 O ATOM 241 CB ASP A 94 167.808 -0.055 8.480 1.00 0.00 C ATOM 242 CG ASP A 94 168.291 1.314 7.999 1.00 0.00 C ATOM 243 OD1 ASP A 94 168.538 1.447 6.812 1.00 0.00 O ATOM 244 OD2 ASP A 94 168.414 2.204 8.825 1.00 0.00 O ATOM 0 H ASP A 94 166.772 0.597 6.320 1.00 0.00 H new ATOM 0 HA ASP A 94 165.953 -1.178 8.577 1.00 0.00 H new ATOM 0 HB2 ASP A 94 168.038 -0.178 9.538 1.00 0.00 H new ATOM 0 HB3 ASP A 94 168.337 -0.844 7.945 1.00 0.00 H new ATOM 249 N LYS A 95 164.245 0.600 9.265 1.00 0.00 N ATOM 250 CA LYS A 95 163.396 1.564 10.031 1.00 0.00 C ATOM 251 C LYS A 95 163.925 1.749 11.456 1.00 0.00 C ATOM 252 O LYS A 95 163.627 2.738 12.100 1.00 0.00 O ATOM 253 CB LYS A 95 162.000 0.939 10.061 1.00 0.00 C ATOM 254 CG LYS A 95 161.444 0.850 8.638 1.00 0.00 C ATOM 255 CD LYS A 95 161.196 2.258 8.097 1.00 0.00 C ATOM 256 CE LYS A 95 160.437 2.169 6.771 1.00 0.00 C ATOM 257 NZ LYS A 95 160.689 3.472 6.094 1.00 0.00 N ATOM 0 H LYS A 95 163.756 -0.230 8.930 1.00 0.00 H new ATOM 0 HA LYS A 95 163.395 2.551 9.567 1.00 0.00 H new ATOM 0 HB2 LYS A 95 162.045 -0.055 10.507 1.00 0.00 H new ATOM 0 HB3 LYS A 95 161.336 1.538 10.684 1.00 0.00 H new ATOM 0 HG2 LYS A 95 162.147 0.320 7.994 1.00 0.00 H new ATOM 0 HG3 LYS A 95 160.516 0.279 8.634 1.00 0.00 H new ATOM 0 HD2 LYS A 95 160.622 2.840 8.818 1.00 0.00 H new ATOM 0 HD3 LYS A 95 162.144 2.775 7.951 1.00 0.00 H new ATOM 0 HE2 LYS A 95 160.794 1.335 6.167 1.00 0.00 H new ATOM 0 HE3 LYS A 95 159.371 2.010 6.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 159.883 3.706 5.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 160.808 4.218 6.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 161.553 3.403 5.519 1.00 0.00 H new ATOM 271 N GLU A 96 164.698 0.817 11.962 1.00 0.00 N ATOM 272 CA GLU A 96 165.227 0.958 13.355 1.00 0.00 C ATOM 273 C GLU A 96 166.577 1.693 13.361 1.00 0.00 C ATOM 274 O GLU A 96 167.307 1.637 14.331 1.00 0.00 O ATOM 275 CB GLU A 96 165.398 -0.475 13.859 1.00 0.00 C ATOM 276 CG GLU A 96 164.041 -1.182 13.870 1.00 0.00 C ATOM 277 CD GLU A 96 164.174 -2.536 14.569 1.00 0.00 C ATOM 278 OE1 GLU A 96 164.583 -3.480 13.915 1.00 0.00 O ATOM 279 OE2 GLU A 96 163.866 -2.605 15.748 1.00 0.00 O ATOM 0 H GLU A 96 164.984 -0.031 11.473 1.00 0.00 H new ATOM 0 HA GLU A 96 164.556 1.542 13.985 1.00 0.00 H new ATOM 0 HB2 GLU A 96 166.095 -1.015 13.219 1.00 0.00 H new ATOM 0 HB3 GLU A 96 165.825 -0.470 14.862 1.00 0.00 H new ATOM 0 HG2 GLU A 96 163.303 -0.567 14.385 1.00 0.00 H new ATOM 0 HG3 GLU A 96 163.684 -1.322 12.850 1.00 0.00 H new ATOM 286 N SER A 97 166.894 2.408 12.304 1.00 0.00 N ATOM 287 CA SER A 97 168.171 3.195 12.225 1.00 0.00 C ATOM 288 C SER A 97 169.384 2.485 12.847 1.00 0.00 C ATOM 289 O SER A 97 170.222 3.122 13.461 1.00 0.00 O ATOM 290 CB SER A 97 167.876 4.488 12.980 1.00 0.00 C ATOM 291 OG SER A 97 166.723 5.106 12.422 1.00 0.00 O ATOM 0 H SER A 97 166.307 2.480 11.473 1.00 0.00 H new ATOM 0 HA SER A 97 168.449 3.347 11.182 1.00 0.00 H new ATOM 0 HB2 SER A 97 167.714 4.276 14.037 1.00 0.00 H new ATOM 0 HB3 SER A 97 168.730 5.162 12.917 1.00 0.00 H new ATOM 0 HG SER A 97 166.530 5.936 12.906 1.00 0.00 H new ATOM 297 N THR A 98 169.493 1.185 12.700 1.00 0.00 N ATOM 298 CA THR A 98 170.668 0.475 13.297 1.00 0.00 C ATOM 299 C THR A 98 171.955 0.958 12.622 1.00 0.00 C ATOM 300 O THR A 98 172.990 1.079 13.249 1.00 0.00 O ATOM 301 CB THR A 98 170.435 -1.009 13.009 1.00 0.00 C ATOM 302 OG1 THR A 98 170.189 -1.188 11.621 1.00 0.00 O ATOM 303 CG2 THR A 98 169.229 -1.503 13.810 1.00 0.00 C ATOM 0 H THR A 98 168.830 0.593 12.200 1.00 0.00 H new ATOM 0 HA THR A 98 170.769 0.663 14.366 1.00 0.00 H new ATOM 0 HB THR A 98 171.318 -1.578 13.298 1.00 0.00 H new ATOM 0 HG1 THR A 98 170.041 -2.139 11.435 1.00 0.00 H new ATOM 0 HG21 THR A 98 169.064 -2.561 13.604 1.00 0.00 H new ATOM 0 HG22 THR A 98 169.418 -1.366 14.875 1.00 0.00 H new ATOM 0 HG23 THR A 98 168.344 -0.935 13.523 1.00 0.00 H new ATOM 311 N GLY A 99 171.888 1.238 11.346 1.00 0.00 N ATOM 312 CA GLY A 99 173.094 1.721 10.611 1.00 0.00 C ATOM 313 C GLY A 99 173.869 0.542 10.007 1.00 0.00 C ATOM 314 O GLY A 99 174.993 0.702 9.567 1.00 0.00 O ATOM 0 H GLY A 99 171.045 1.152 10.779 1.00 0.00 H new ATOM 0 HA2 GLY A 99 172.793 2.408 9.820 1.00 0.00 H new ATOM 0 HA3 GLY A 99 173.740 2.278 11.289 1.00 0.00 H new ATOM 318 N LYS A 100 173.290 -0.638 9.977 1.00 0.00 N ATOM 319 CA LYS A 100 174.009 -1.812 9.395 1.00 0.00 C ATOM 320 C LYS A 100 173.097 -2.557 8.416 1.00 0.00 C ATOM 321 O LYS A 100 171.889 -2.551 8.563 1.00 0.00 O ATOM 322 CB LYS A 100 174.348 -2.697 10.594 1.00 0.00 C ATOM 323 CG LYS A 100 175.340 -1.965 11.499 1.00 0.00 C ATOM 324 CD LYS A 100 175.974 -2.959 12.471 1.00 0.00 C ATOM 325 CE LYS A 100 177.070 -2.257 13.277 1.00 0.00 C ATOM 326 NZ LYS A 100 177.695 -3.333 14.095 1.00 0.00 N ATOM 0 H LYS A 100 172.354 -0.835 10.330 1.00 0.00 H new ATOM 0 HA LYS A 100 174.899 -1.520 8.838 1.00 0.00 H new ATOM 0 HB2 LYS A 100 173.442 -2.939 11.149 1.00 0.00 H new ATOM 0 HB3 LYS A 100 174.776 -3.640 10.255 1.00 0.00 H new ATOM 0 HG2 LYS A 100 176.112 -1.486 10.897 1.00 0.00 H new ATOM 0 HG3 LYS A 100 174.830 -1.175 12.051 1.00 0.00 H new ATOM 0 HD2 LYS A 100 175.215 -3.362 13.142 1.00 0.00 H new ATOM 0 HD3 LYS A 100 176.394 -3.802 11.923 1.00 0.00 H new ATOM 0 HE2 LYS A 100 177.801 -1.785 12.621 1.00 0.00 H new ATOM 0 HE3 LYS A 100 176.654 -1.472 13.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 178.457 -2.929 14.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 176.977 -3.760 14.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 178.088 -4.063 13.467 1.00 0.00 H new ATOM 340 N VAL A 101 173.661 -3.210 7.428 1.00 0.00 N ATOM 341 CA VAL A 101 172.818 -3.969 6.449 1.00 0.00 C ATOM 342 C VAL A 101 173.598 -5.176 5.911 1.00 0.00 C ATOM 343 O VAL A 101 174.808 -5.238 6.011 1.00 0.00 O ATOM 344 CB VAL A 101 172.494 -2.984 5.314 1.00 0.00 C ATOM 345 CG1 VAL A 101 171.573 -3.662 4.301 1.00 0.00 C ATOM 346 CG2 VAL A 101 171.778 -1.756 5.883 1.00 0.00 C ATOM 0 H VAL A 101 174.666 -3.251 7.257 1.00 0.00 H new ATOM 0 HA VAL A 101 171.907 -4.351 6.910 1.00 0.00 H new ATOM 0 HB VAL A 101 173.423 -2.679 4.831 1.00 0.00 H new ATOM 0 HG11 VAL A 101 171.342 -2.965 3.495 1.00 0.00 H new ATOM 0 HG12 VAL A 101 172.069 -4.541 3.889 1.00 0.00 H new ATOM 0 HG13 VAL A 101 170.649 -3.965 4.795 1.00 0.00 H new ATOM 0 HG21 VAL A 101 171.550 -1.061 5.075 1.00 0.00 H new ATOM 0 HG22 VAL A 101 170.852 -2.066 6.366 1.00 0.00 H new ATOM 0 HG23 VAL A 101 172.422 -1.265 6.613 1.00 0.00 H new ATOM 356 N SER A 102 172.910 -6.126 5.331 1.00 0.00 N ATOM 357 CA SER A 102 173.593 -7.331 4.767 1.00 0.00 C ATOM 358 C SER A 102 174.083 -7.038 3.347 1.00 0.00 C ATOM 359 O SER A 102 173.473 -6.276 2.625 1.00 0.00 O ATOM 360 CB SER A 102 172.508 -8.407 4.731 1.00 0.00 C ATOM 361 OG SER A 102 171.315 -7.853 4.194 1.00 0.00 O ATOM 0 H SER A 102 171.896 -6.119 5.223 1.00 0.00 H new ATOM 0 HA SER A 102 174.460 -7.631 5.355 1.00 0.00 H new ATOM 0 HB2 SER A 102 172.836 -9.251 4.124 1.00 0.00 H new ATOM 0 HB3 SER A 102 172.325 -8.789 5.735 1.00 0.00 H new ATOM 0 HG SER A 102 170.618 -8.541 4.168 1.00 0.00 H new ATOM 367 N VAL A 103 175.178 -7.636 2.937 1.00 0.00 N ATOM 368 CA VAL A 103 175.701 -7.385 1.552 1.00 0.00 C ATOM 369 C VAL A 103 174.625 -7.710 0.506 1.00 0.00 C ATOM 370 O VAL A 103 174.472 -7.002 -0.471 1.00 0.00 O ATOM 371 CB VAL A 103 176.908 -8.324 1.395 1.00 0.00 C ATOM 372 CG1 VAL A 103 177.480 -8.217 -0.024 1.00 0.00 C ATOM 373 CG2 VAL A 103 177.990 -7.929 2.397 1.00 0.00 C ATOM 0 H VAL A 103 175.731 -8.284 3.498 1.00 0.00 H new ATOM 0 HA VAL A 103 175.979 -6.341 1.405 1.00 0.00 H new ATOM 0 HB VAL A 103 176.584 -9.349 1.577 1.00 0.00 H new ATOM 0 HG11 VAL A 103 178.334 -8.887 -0.123 1.00 0.00 H new ATOM 0 HG12 VAL A 103 176.714 -8.497 -0.747 1.00 0.00 H new ATOM 0 HG13 VAL A 103 177.799 -7.192 -0.211 1.00 0.00 H new ATOM 0 HG21 VAL A 103 178.847 -8.593 2.288 1.00 0.00 H new ATOM 0 HG22 VAL A 103 178.301 -6.901 2.210 1.00 0.00 H new ATOM 0 HG23 VAL A 103 177.595 -8.010 3.410 1.00 0.00 H new ATOM 383 N GLY A 104 173.883 -8.775 0.699 1.00 0.00 N ATOM 384 CA GLY A 104 172.823 -9.145 -0.290 1.00 0.00 C ATOM 385 C GLY A 104 171.830 -7.992 -0.448 1.00 0.00 C ATOM 386 O GLY A 104 171.409 -7.667 -1.543 1.00 0.00 O ATOM 0 H GLY A 104 173.966 -9.403 1.498 1.00 0.00 H new ATOM 0 HA2 GLY A 104 173.278 -9.379 -1.253 1.00 0.00 H new ATOM 0 HA3 GLY A 104 172.301 -10.042 0.042 1.00 0.00 H new ATOM 390 N ASP A 105 171.466 -7.363 0.641 1.00 0.00 N ATOM 391 CA ASP A 105 170.513 -6.218 0.572 1.00 0.00 C ATOM 392 C ASP A 105 171.250 -4.940 0.172 1.00 0.00 C ATOM 393 O ASP A 105 170.772 -4.161 -0.631 1.00 0.00 O ATOM 394 CB ASP A 105 169.940 -6.090 1.984 1.00 0.00 C ATOM 395 CG ASP A 105 168.768 -5.107 1.973 1.00 0.00 C ATOM 396 OD1 ASP A 105 168.981 -3.965 1.596 1.00 0.00 O ATOM 397 OD2 ASP A 105 167.677 -5.511 2.342 1.00 0.00 O ATOM 0 H ASP A 105 171.791 -7.596 1.579 1.00 0.00 H new ATOM 0 HA ASP A 105 169.731 -6.377 -0.170 1.00 0.00 H new ATOM 0 HB2 ASP A 105 169.608 -7.064 2.343 1.00 0.00 H new ATOM 0 HB3 ASP A 105 170.712 -5.744 2.671 1.00 0.00 H new ATOM 402 N LEU A 106 172.410 -4.717 0.738 1.00 0.00 N ATOM 403 CA LEU A 106 173.188 -3.484 0.411 1.00 0.00 C ATOM 404 C LEU A 106 173.516 -3.446 -1.085 1.00 0.00 C ATOM 405 O LEU A 106 173.303 -2.446 -1.745 1.00 0.00 O ATOM 406 CB LEU A 106 174.477 -3.599 1.237 1.00 0.00 C ATOM 407 CG LEU A 106 175.380 -2.377 0.985 1.00 0.00 C ATOM 408 CD1 LEU A 106 175.485 -1.536 2.261 1.00 0.00 C ATOM 409 CD2 LEU A 106 176.780 -2.844 0.572 1.00 0.00 C ATOM 0 H LEU A 106 172.853 -5.339 1.415 1.00 0.00 H new ATOM 0 HA LEU A 106 172.634 -2.574 0.639 1.00 0.00 H new ATOM 0 HB2 LEU A 106 174.233 -3.668 2.297 1.00 0.00 H new ATOM 0 HB3 LEU A 106 175.007 -4.513 0.972 1.00 0.00 H new ATOM 0 HG LEU A 106 174.946 -1.774 0.187 1.00 0.00 H new ATOM 0 HD11 LEU A 106 176.125 -0.673 2.076 1.00 0.00 H new ATOM 0 HD12 LEU A 106 174.492 -1.195 2.555 1.00 0.00 H new ATOM 0 HD13 LEU A 106 175.913 -2.140 3.061 1.00 0.00 H new ATOM 0 HD21 LEU A 106 177.415 -1.976 0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 106 177.210 -3.452 1.368 1.00 0.00 H new ATOM 0 HD23 LEU A 106 176.712 -3.436 -0.341 1.00 0.00 H new ATOM 421 N ARG A 107 174.047 -4.517 -1.616 1.00 0.00 N ATOM 422 CA ARG A 107 174.408 -4.532 -3.066 1.00 0.00 C ATOM 423 C ARG A 107 173.153 -4.463 -3.939 1.00 0.00 C ATOM 424 O ARG A 107 173.187 -3.935 -5.036 1.00 0.00 O ATOM 425 CB ARG A 107 175.158 -5.849 -3.290 1.00 0.00 C ATOM 426 CG ARG A 107 176.008 -5.750 -4.559 1.00 0.00 C ATOM 427 CD ARG A 107 176.455 -7.151 -4.986 1.00 0.00 C ATOM 428 NE ARG A 107 175.281 -7.731 -5.696 1.00 0.00 N ATOM 429 CZ ARG A 107 175.449 -8.714 -6.537 1.00 0.00 C ATOM 430 NH1 ARG A 107 176.109 -9.779 -6.172 1.00 0.00 N ATOM 431 NH2 ARG A 107 174.957 -8.633 -7.743 1.00 0.00 N ATOM 0 H ARG A 107 174.246 -5.380 -1.110 1.00 0.00 H new ATOM 0 HA ARG A 107 175.020 -3.672 -3.337 1.00 0.00 H new ATOM 0 HB2 ARG A 107 175.793 -6.067 -2.432 1.00 0.00 H new ATOM 0 HB3 ARG A 107 174.449 -6.672 -3.379 1.00 0.00 H new ATOM 0 HG2 ARG A 107 175.434 -5.281 -5.358 1.00 0.00 H new ATOM 0 HG3 ARG A 107 176.878 -5.119 -4.378 1.00 0.00 H new ATOM 0 HD2 ARG A 107 177.327 -7.105 -5.638 1.00 0.00 H new ATOM 0 HD3 ARG A 107 176.733 -7.756 -4.123 1.00 0.00 H new ATOM 0 HE ARG A 107 174.346 -7.360 -5.525 1.00 0.00 H new ATOM 0 HH11 ARG A 107 176.493 -9.843 -5.229 1.00 0.00 H new ATOM 0 HH12 ARG A 107 176.240 -10.548 -6.829 1.00 0.00 H new ATOM 0 HH21 ARG A 107 174.441 -7.801 -8.028 1.00 0.00 H new ATOM 0 HH22 ARG A 107 175.089 -9.402 -8.400 1.00 0.00 H new ATOM 445 N TYR A 108 172.050 -5.005 -3.474 1.00 0.00 N ATOM 446 CA TYR A 108 170.809 -4.977 -4.304 1.00 0.00 C ATOM 447 C TYR A 108 170.275 -3.547 -4.430 1.00 0.00 C ATOM 448 O TYR A 108 169.940 -3.103 -5.512 1.00 0.00 O ATOM 449 CB TYR A 108 169.806 -5.881 -3.586 1.00 0.00 C ATOM 450 CG TYR A 108 168.613 -6.118 -4.480 1.00 0.00 C ATOM 451 CD1 TYR A 108 168.623 -7.184 -5.389 1.00 0.00 C ATOM 452 CD2 TYR A 108 167.499 -5.274 -4.402 1.00 0.00 C ATOM 453 CE1 TYR A 108 167.518 -7.404 -6.221 1.00 0.00 C ATOM 454 CE2 TYR A 108 166.395 -5.495 -5.234 1.00 0.00 C ATOM 455 CZ TYR A 108 166.404 -6.560 -6.143 1.00 0.00 C ATOM 456 OH TYR A 108 165.315 -6.777 -6.963 1.00 0.00 O ATOM 0 H TYR A 108 171.959 -5.460 -2.566 1.00 0.00 H new ATOM 0 HA TYR A 108 170.996 -5.326 -5.320 1.00 0.00 H new ATOM 0 HB2 TYR A 108 170.275 -6.830 -3.328 1.00 0.00 H new ATOM 0 HB3 TYR A 108 169.488 -5.419 -2.652 1.00 0.00 H new ATOM 0 HD1 TYR A 108 169.482 -7.836 -5.448 1.00 0.00 H new ATOM 0 HD2 TYR A 108 167.491 -4.453 -3.700 1.00 0.00 H new ATOM 0 HE1 TYR A 108 167.525 -8.225 -6.923 1.00 0.00 H new ATOM 0 HE2 TYR A 108 165.536 -4.844 -5.175 1.00 0.00 H new ATOM 0 HH TYR A 108 164.628 -6.102 -6.780 1.00 0.00 H new ATOM 466 N MET A 109 170.175 -2.829 -3.334 1.00 0.00 N ATOM 467 CA MET A 109 169.642 -1.436 -3.410 1.00 0.00 C ATOM 468 C MET A 109 170.588 -0.546 -4.201 1.00 0.00 C ATOM 469 O MET A 109 170.150 0.269 -4.992 1.00 0.00 O ATOM 470 CB MET A 109 169.547 -0.958 -1.965 1.00 0.00 C ATOM 471 CG MET A 109 168.122 -1.176 -1.444 1.00 0.00 C ATOM 472 SD MET A 109 167.474 0.363 -0.733 1.00 0.00 S ATOM 473 CE MET A 109 167.727 1.416 -2.189 1.00 0.00 C ATOM 0 H MET A 109 170.437 -3.146 -2.401 1.00 0.00 H new ATOM 0 HA MET A 109 168.676 -1.400 -3.914 1.00 0.00 H new ATOM 0 HB2 MET A 109 170.259 -1.501 -1.344 1.00 0.00 H new ATOM 0 HB3 MET A 109 169.810 0.098 -1.903 1.00 0.00 H new ATOM 0 HG2 MET A 109 167.477 -1.510 -2.257 1.00 0.00 H new ATOM 0 HG3 MET A 109 168.119 -1.963 -0.690 1.00 0.00 H new ATOM 0 HE1 MET A 109 167.053 2.271 -2.141 1.00 0.00 H new ATOM 0 HE2 MET A 109 168.758 1.768 -2.209 1.00 0.00 H new ATOM 0 HE3 MET A 109 167.522 0.842 -3.093 1.00 0.00 H new ATOM 483 N LEU A 110 171.877 -0.689 -4.014 1.00 0.00 N ATOM 484 CA LEU A 110 172.833 0.165 -4.788 1.00 0.00 C ATOM 485 C LEU A 110 172.552 -0.015 -6.282 1.00 0.00 C ATOM 486 O LEU A 110 172.473 0.937 -7.034 1.00 0.00 O ATOM 487 CB LEU A 110 174.234 -0.357 -4.432 1.00 0.00 C ATOM 488 CG LEU A 110 175.001 0.708 -3.645 1.00 0.00 C ATOM 489 CD1 LEU A 110 174.816 0.469 -2.147 1.00 0.00 C ATOM 490 CD2 LEU A 110 176.490 0.626 -3.994 1.00 0.00 C ATOM 0 H LEU A 110 172.306 -1.351 -3.367 1.00 0.00 H new ATOM 0 HA LEU A 110 172.741 1.225 -4.553 1.00 0.00 H new ATOM 0 HB2 LEU A 110 174.153 -1.270 -3.842 1.00 0.00 H new ATOM 0 HB3 LEU A 110 174.778 -0.613 -5.341 1.00 0.00 H new ATOM 0 HG LEU A 110 174.620 1.696 -3.905 1.00 0.00 H new ATOM 0 HD11 LEU A 110 175.363 1.228 -1.587 1.00 0.00 H new ATOM 0 HD12 LEU A 110 173.757 0.527 -1.897 1.00 0.00 H new ATOM 0 HD13 LEU A 110 175.197 -0.519 -1.886 1.00 0.00 H new ATOM 0 HD21 LEU A 110 177.037 1.384 -3.434 1.00 0.00 H new ATOM 0 HD22 LEU A 110 176.871 -0.362 -3.735 1.00 0.00 H new ATOM 0 HD23 LEU A 110 176.623 0.797 -5.062 1.00 0.00 H new ATOM 502 N THR A 111 172.377 -1.242 -6.697 1.00 0.00 N ATOM 503 CA THR A 111 172.078 -1.517 -8.139 1.00 0.00 C ATOM 504 C THR A 111 170.779 -0.810 -8.547 1.00 0.00 C ATOM 505 O THR A 111 170.597 -0.421 -9.684 1.00 0.00 O ATOM 506 CB THR A 111 171.911 -3.036 -8.232 1.00 0.00 C ATOM 507 OG1 THR A 111 173.022 -3.671 -7.616 1.00 0.00 O ATOM 508 CG2 THR A 111 171.832 -3.452 -9.702 1.00 0.00 C ATOM 0 H THR A 111 172.428 -2.068 -6.101 1.00 0.00 H new ATOM 0 HA THR A 111 172.865 -1.155 -8.801 1.00 0.00 H new ATOM 0 HB THR A 111 170.994 -3.334 -7.723 1.00 0.00 H new ATOM 0 HG1 THR A 111 172.770 -3.972 -6.718 1.00 0.00 H new ATOM 0 HG21 THR A 111 171.713 -4.533 -9.768 1.00 0.00 H new ATOM 0 HG22 THR A 111 170.979 -2.964 -10.173 1.00 0.00 H new ATOM 0 HG23 THR A 111 172.748 -3.156 -10.214 1.00 0.00 H new ATOM 516 N GLY A 112 169.897 -0.618 -7.604 1.00 0.00 N ATOM 517 CA GLY A 112 168.616 0.092 -7.878 1.00 0.00 C ATOM 518 C GLY A 112 168.800 1.608 -7.707 1.00 0.00 C ATOM 519 O GLY A 112 167.951 2.389 -8.090 1.00 0.00 O ATOM 0 H GLY A 112 170.013 -0.929 -6.639 1.00 0.00 H new ATOM 0 HA2 GLY A 112 168.280 -0.128 -8.891 1.00 0.00 H new ATOM 0 HA3 GLY A 112 167.841 -0.266 -7.200 1.00 0.00 H new ATOM 523 N LEU A 113 169.882 2.025 -7.089 1.00 0.00 N ATOM 524 CA LEU A 113 170.115 3.479 -6.830 1.00 0.00 C ATOM 525 C LEU A 113 170.997 4.142 -7.905 1.00 0.00 C ATOM 526 O LEU A 113 171.393 5.282 -7.753 1.00 0.00 O ATOM 527 CB LEU A 113 170.842 3.502 -5.482 1.00 0.00 C ATOM 528 CG LEU A 113 170.272 4.614 -4.599 1.00 0.00 C ATOM 529 CD1 LEU A 113 170.934 4.556 -3.223 1.00 0.00 C ATOM 530 CD2 LEU A 113 170.551 5.975 -5.240 1.00 0.00 C ATOM 0 H LEU A 113 170.621 1.409 -6.750 1.00 0.00 H new ATOM 0 HA LEU A 113 169.177 4.034 -6.839 1.00 0.00 H new ATOM 0 HB2 LEU A 113 170.732 2.539 -4.984 1.00 0.00 H new ATOM 0 HB3 LEU A 113 171.909 3.661 -5.638 1.00 0.00 H new ATOM 0 HG LEU A 113 169.196 4.478 -4.495 1.00 0.00 H new ATOM 0 HD11 LEU A 113 170.530 5.347 -2.591 1.00 0.00 H new ATOM 0 HD12 LEU A 113 170.735 3.588 -2.764 1.00 0.00 H new ATOM 0 HD13 LEU A 113 172.010 4.692 -3.331 1.00 0.00 H new ATOM 0 HD21 LEU A 113 170.144 6.765 -4.609 1.00 0.00 H new ATOM 0 HD22 LEU A 113 171.627 6.114 -5.346 1.00 0.00 H new ATOM 0 HD23 LEU A 113 170.081 6.018 -6.223 1.00 0.00 H new ATOM 542 N GLY A 114 171.330 3.453 -8.969 1.00 0.00 N ATOM 543 CA GLY A 114 172.210 4.070 -10.017 1.00 0.00 C ATOM 544 C GLY A 114 173.633 3.513 -9.872 1.00 0.00 C ATOM 545 O GLY A 114 174.608 4.168 -10.188 1.00 0.00 O ATOM 0 H GLY A 114 171.034 2.496 -9.159 1.00 0.00 H new ATOM 0 HA2 GLY A 114 171.820 3.851 -11.011 1.00 0.00 H new ATOM 0 HA3 GLY A 114 172.218 5.155 -9.910 1.00 0.00 H new ATOM 549 N GLU A 115 173.740 2.291 -9.432 1.00 0.00 N ATOM 550 CA GLU A 115 175.083 1.641 -9.296 1.00 0.00 C ATOM 551 C GLU A 115 175.198 0.476 -10.278 1.00 0.00 C ATOM 552 O GLU A 115 174.425 -0.462 -10.217 1.00 0.00 O ATOM 553 CB GLU A 115 175.173 1.118 -7.862 1.00 0.00 C ATOM 554 CG GLU A 115 174.868 2.243 -6.866 1.00 0.00 C ATOM 555 CD GLU A 115 175.938 3.332 -6.978 1.00 0.00 C ATOM 556 OE1 GLU A 115 177.094 3.025 -6.739 1.00 0.00 O ATOM 557 OE2 GLU A 115 175.584 4.453 -7.304 1.00 0.00 O ATOM 0 H GLU A 115 172.951 1.706 -9.157 1.00 0.00 H new ATOM 0 HA GLU A 115 175.885 2.347 -9.511 1.00 0.00 H new ATOM 0 HB2 GLU A 115 174.469 0.298 -7.722 1.00 0.00 H new ATOM 0 HB3 GLU A 115 176.170 0.718 -7.675 1.00 0.00 H new ATOM 0 HG2 GLU A 115 173.883 2.664 -7.068 1.00 0.00 H new ATOM 0 HG3 GLU A 115 174.843 1.847 -5.851 1.00 0.00 H new ATOM 564 N LYS A 116 176.161 0.508 -11.164 1.00 0.00 N ATOM 565 CA LYS A 116 176.322 -0.625 -12.119 1.00 0.00 C ATOM 566 C LYS A 116 177.723 -1.217 -11.980 1.00 0.00 C ATOM 567 O LYS A 116 178.492 -1.283 -12.920 1.00 0.00 O ATOM 568 CB LYS A 116 176.059 -0.064 -13.518 1.00 0.00 C ATOM 569 CG LYS A 116 174.647 0.521 -13.576 1.00 0.00 C ATOM 570 CD LYS A 116 174.393 1.104 -14.969 1.00 0.00 C ATOM 571 CE LYS A 116 173.029 1.809 -14.995 1.00 0.00 C ATOM 572 NZ LYS A 116 173.320 3.198 -15.450 1.00 0.00 N ATOM 0 H LYS A 116 176.837 1.265 -11.266 1.00 0.00 H new ATOM 0 HA LYS A 116 175.622 -1.436 -11.919 1.00 0.00 H new ATOM 0 HB2 LYS A 116 176.793 0.706 -13.757 1.00 0.00 H new ATOM 0 HB3 LYS A 116 176.169 -0.851 -14.264 1.00 0.00 H new ATOM 0 HG2 LYS A 116 173.912 -0.253 -13.354 1.00 0.00 H new ATOM 0 HG3 LYS A 116 174.532 1.297 -12.819 1.00 0.00 H new ATOM 0 HD2 LYS A 116 175.183 1.809 -15.228 1.00 0.00 H new ATOM 0 HD3 LYS A 116 174.417 0.310 -15.716 1.00 0.00 H new ATOM 0 HE2 LYS A 116 172.339 1.308 -15.674 1.00 0.00 H new ATOM 0 HE3 LYS A 116 172.565 1.806 -14.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 172.435 3.742 -15.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 173.974 3.653 -14.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 173.755 3.170 -16.394 1.00 0.00 H new ATOM 586 N LEU A 117 178.027 -1.688 -10.801 1.00 0.00 N ATOM 587 CA LEU A 117 179.339 -2.336 -10.536 1.00 0.00 C ATOM 588 C LEU A 117 179.192 -3.836 -10.793 1.00 0.00 C ATOM 589 O LEU A 117 178.131 -4.398 -10.590 1.00 0.00 O ATOM 590 CB LEU A 117 179.633 -2.058 -9.061 1.00 0.00 C ATOM 591 CG LEU A 117 179.754 -0.550 -8.839 1.00 0.00 C ATOM 592 CD1 LEU A 117 179.677 -0.247 -7.341 1.00 0.00 C ATOM 593 CD2 LEU A 117 181.098 -0.063 -9.386 1.00 0.00 C ATOM 0 H LEU A 117 177.405 -1.649 -9.994 1.00 0.00 H new ATOM 0 HA LEU A 117 180.144 -1.964 -11.169 1.00 0.00 H new ATOM 0 HB2 LEU A 117 178.837 -2.465 -8.438 1.00 0.00 H new ATOM 0 HB3 LEU A 117 180.556 -2.555 -8.764 1.00 0.00 H new ATOM 0 HG LEU A 117 178.941 -0.040 -9.356 1.00 0.00 H new ATOM 0 HD11 LEU A 117 179.763 0.828 -7.182 1.00 0.00 H new ATOM 0 HD12 LEU A 117 178.722 -0.596 -6.948 1.00 0.00 H new ATOM 0 HD13 LEU A 117 180.491 -0.756 -6.824 1.00 0.00 H new ATOM 0 HD21 LEU A 117 181.187 1.012 -9.229 1.00 0.00 H new ATOM 0 HD22 LEU A 117 181.909 -0.574 -8.867 1.00 0.00 H new ATOM 0 HD23 LEU A 117 181.157 -0.280 -10.453 1.00 0.00 H new ATOM 605 N THR A 118 180.235 -4.493 -11.225 1.00 0.00 N ATOM 606 CA THR A 118 180.139 -5.962 -11.480 1.00 0.00 C ATOM 607 C THR A 118 180.965 -6.728 -10.446 1.00 0.00 C ATOM 608 O THR A 118 182.011 -6.262 -10.038 1.00 0.00 O ATOM 609 CB THR A 118 180.723 -6.158 -12.880 1.00 0.00 C ATOM 610 OG1 THR A 118 182.038 -5.623 -12.922 1.00 0.00 O ATOM 611 CG2 THR A 118 179.845 -5.441 -13.907 1.00 0.00 C ATOM 0 H THR A 118 181.148 -4.078 -11.412 1.00 0.00 H new ATOM 0 HA THR A 118 179.115 -6.330 -11.409 1.00 0.00 H new ATOM 0 HB THR A 118 180.756 -7.222 -13.114 1.00 0.00 H new ATOM 0 HG1 THR A 118 182.414 -5.749 -13.818 1.00 0.00 H new ATOM 0 HG21 THR A 118 180.263 -5.582 -14.904 1.00 0.00 H new ATOM 0 HG22 THR A 118 178.836 -5.853 -13.874 1.00 0.00 H new ATOM 0 HG23 THR A 118 179.809 -4.376 -13.675 1.00 0.00 H new ATOM 619 N ASP A 119 180.497 -7.875 -9.983 1.00 0.00 N ATOM 620 CA ASP A 119 181.246 -8.665 -8.934 1.00 0.00 C ATOM 621 C ASP A 119 182.766 -8.660 -9.166 1.00 0.00 C ATOM 622 O ASP A 119 183.539 -8.718 -8.229 1.00 0.00 O ATOM 623 CB ASP A 119 180.703 -10.090 -9.062 1.00 0.00 C ATOM 624 CG ASP A 119 181.126 -10.914 -7.843 1.00 0.00 C ATOM 625 OD1 ASP A 119 182.197 -10.657 -7.319 1.00 0.00 O ATOM 626 OD2 ASP A 119 180.371 -11.790 -7.456 1.00 0.00 O ATOM 0 H ASP A 119 179.622 -8.301 -10.289 1.00 0.00 H new ATOM 0 HA ASP A 119 181.099 -8.233 -7.944 1.00 0.00 H new ATOM 0 HB2 ASP A 119 179.616 -10.070 -9.140 1.00 0.00 H new ATOM 0 HB3 ASP A 119 181.080 -10.553 -9.974 1.00 0.00 H new ATOM 631 N ALA A 120 183.195 -8.535 -10.397 1.00 0.00 N ATOM 632 CA ALA A 120 184.662 -8.464 -10.677 1.00 0.00 C ATOM 633 C ALA A 120 185.236 -7.222 -9.986 1.00 0.00 C ATOM 634 O ALA A 120 186.185 -7.303 -9.227 1.00 0.00 O ATOM 635 CB ALA A 120 184.772 -8.319 -12.198 1.00 0.00 C ATOM 0 H ALA A 120 182.594 -8.479 -11.219 1.00 0.00 H new ATOM 0 HA ALA A 120 185.206 -9.337 -10.316 1.00 0.00 H new ATOM 0 HB1 ALA A 120 185.822 -8.260 -12.483 1.00 0.00 H new ATOM 0 HB2 ALA A 120 184.313 -9.182 -12.680 1.00 0.00 H new ATOM 0 HB3 ALA A 120 184.259 -7.411 -12.515 1.00 0.00 H new ATOM 641 N GLU A 121 184.647 -6.078 -10.228 1.00 0.00 N ATOM 642 CA GLU A 121 185.127 -4.823 -9.574 1.00 0.00 C ATOM 643 C GLU A 121 184.659 -4.771 -8.112 1.00 0.00 C ATOM 644 O GLU A 121 185.406 -4.414 -7.224 1.00 0.00 O ATOM 645 CB GLU A 121 184.494 -3.687 -10.380 1.00 0.00 C ATOM 646 CG GLU A 121 185.291 -3.466 -11.668 1.00 0.00 C ATOM 647 CD GLU A 121 186.294 -2.328 -11.462 1.00 0.00 C ATOM 648 OE1 GLU A 121 187.228 -2.519 -10.700 1.00 0.00 O ATOM 649 OE2 GLU A 121 186.112 -1.286 -12.070 1.00 0.00 O ATOM 0 H GLU A 121 183.850 -5.959 -10.854 1.00 0.00 H new ATOM 0 HA GLU A 121 186.215 -4.757 -9.561 1.00 0.00 H new ATOM 0 HB2 GLU A 121 183.458 -3.930 -10.618 1.00 0.00 H new ATOM 0 HB3 GLU A 121 184.479 -2.772 -9.788 1.00 0.00 H new ATOM 0 HG2 GLU A 121 185.815 -4.381 -11.945 1.00 0.00 H new ATOM 0 HG3 GLU A 121 184.616 -3.225 -12.489 1.00 0.00 H new ATOM 656 N VAL A 122 183.423 -5.131 -7.864 1.00 0.00 N ATOM 657 CA VAL A 122 182.889 -5.112 -6.464 1.00 0.00 C ATOM 658 C VAL A 122 183.705 -6.046 -5.564 1.00 0.00 C ATOM 659 O VAL A 122 183.916 -5.754 -4.401 1.00 0.00 O ATOM 660 CB VAL A 122 181.435 -5.593 -6.568 1.00 0.00 C ATOM 661 CG1 VAL A 122 180.789 -5.603 -5.177 1.00 0.00 C ATOM 662 CG2 VAL A 122 180.644 -4.649 -7.475 1.00 0.00 C ATOM 0 H VAL A 122 182.758 -5.439 -8.573 1.00 0.00 H new ATOM 0 HA VAL A 122 182.951 -4.117 -6.023 1.00 0.00 H new ATOM 0 HB VAL A 122 181.425 -6.600 -6.984 1.00 0.00 H new ATOM 0 HG11 VAL A 122 179.757 -5.945 -5.257 1.00 0.00 H new ATOM 0 HG12 VAL A 122 181.344 -6.275 -4.523 1.00 0.00 H new ATOM 0 HG13 VAL A 122 180.806 -4.596 -4.761 1.00 0.00 H new ATOM 0 HG21 VAL A 122 179.612 -4.993 -7.547 1.00 0.00 H new ATOM 0 HG22 VAL A 122 180.663 -3.642 -7.057 1.00 0.00 H new ATOM 0 HG23 VAL A 122 181.093 -4.638 -8.468 1.00 0.00 H new ATOM 672 N ASP A 123 184.168 -7.159 -6.080 1.00 0.00 N ATOM 673 CA ASP A 123 184.972 -8.089 -5.226 1.00 0.00 C ATOM 674 C ASP A 123 186.259 -7.384 -4.783 1.00 0.00 C ATOM 675 O ASP A 123 186.711 -7.543 -3.664 1.00 0.00 O ATOM 676 CB ASP A 123 185.275 -9.309 -6.099 1.00 0.00 C ATOM 677 CG ASP A 123 186.080 -10.331 -5.295 1.00 0.00 C ATOM 678 OD1 ASP A 123 187.147 -9.976 -4.820 1.00 0.00 O ATOM 679 OD2 ASP A 123 185.618 -11.453 -5.168 1.00 0.00 O ATOM 0 H ASP A 123 184.026 -7.461 -7.044 1.00 0.00 H new ATOM 0 HA ASP A 123 184.441 -8.390 -4.323 1.00 0.00 H new ATOM 0 HB2 ASP A 123 184.345 -9.758 -6.449 1.00 0.00 H new ATOM 0 HB3 ASP A 123 185.835 -9.005 -6.984 1.00 0.00 H new ATOM 684 N GLU A 124 186.839 -6.591 -5.651 1.00 0.00 N ATOM 685 CA GLU A 124 188.088 -5.851 -5.281 1.00 0.00 C ATOM 686 C GLU A 124 187.809 -4.941 -4.080 1.00 0.00 C ATOM 687 O GLU A 124 188.563 -4.906 -3.126 1.00 0.00 O ATOM 688 CB GLU A 124 188.444 -5.016 -6.513 1.00 0.00 C ATOM 689 CG GLU A 124 188.866 -5.941 -7.655 1.00 0.00 C ATOM 690 CD GLU A 124 190.235 -6.548 -7.343 1.00 0.00 C ATOM 691 OE1 GLU A 124 190.285 -7.473 -6.547 1.00 0.00 O ATOM 692 OE2 GLU A 124 191.211 -6.079 -7.903 1.00 0.00 O ATOM 0 H GLU A 124 186.502 -6.424 -6.599 1.00 0.00 H new ATOM 0 HA GLU A 124 188.901 -6.521 -5.002 1.00 0.00 H new ATOM 0 HB2 GLU A 124 187.588 -4.414 -6.817 1.00 0.00 H new ATOM 0 HB3 GLU A 124 189.252 -4.324 -6.275 1.00 0.00 H new ATOM 0 HG2 GLU A 124 188.128 -6.732 -7.788 1.00 0.00 H new ATOM 0 HG3 GLU A 124 188.908 -5.384 -8.591 1.00 0.00 H new ATOM 699 N LEU A 125 186.716 -4.216 -4.118 1.00 0.00 N ATOM 700 CA LEU A 125 186.364 -3.315 -2.977 1.00 0.00 C ATOM 701 C LEU A 125 186.174 -4.141 -1.703 1.00 0.00 C ATOM 702 O LEU A 125 186.709 -3.829 -0.656 1.00 0.00 O ATOM 703 CB LEU A 125 185.036 -2.672 -3.390 1.00 0.00 C ATOM 704 CG LEU A 125 185.297 -1.412 -4.224 1.00 0.00 C ATOM 705 CD1 LEU A 125 186.092 -1.768 -5.485 1.00 0.00 C ATOM 706 CD2 LEU A 125 183.959 -0.803 -4.635 1.00 0.00 C ATOM 0 H LEU A 125 186.052 -4.210 -4.892 1.00 0.00 H new ATOM 0 HA LEU A 125 187.138 -2.575 -2.772 1.00 0.00 H new ATOM 0 HB2 LEU A 125 184.443 -3.382 -3.966 1.00 0.00 H new ATOM 0 HB3 LEU A 125 184.455 -2.417 -2.503 1.00 0.00 H new ATOM 0 HG LEU A 125 185.870 -0.701 -3.629 1.00 0.00 H new ATOM 0 HD11 LEU A 125 186.271 -0.865 -6.069 1.00 0.00 H new ATOM 0 HD12 LEU A 125 187.046 -2.211 -5.200 1.00 0.00 H new ATOM 0 HD13 LEU A 125 185.525 -2.481 -6.084 1.00 0.00 H new ATOM 0 HD21 LEU A 125 184.135 0.094 -5.229 1.00 0.00 H new ATOM 0 HD22 LEU A 125 183.397 -1.525 -5.227 1.00 0.00 H new ATOM 0 HD23 LEU A 125 183.389 -0.542 -3.743 1.00 0.00 H new ATOM 718 N LEU A 126 185.411 -5.199 -1.800 1.00 0.00 N ATOM 719 CA LEU A 126 185.161 -6.080 -0.617 1.00 0.00 C ATOM 720 C LEU A 126 186.456 -6.751 -0.147 1.00 0.00 C ATOM 721 O LEU A 126 186.554 -7.212 0.975 1.00 0.00 O ATOM 722 CB LEU A 126 184.183 -7.145 -1.121 1.00 0.00 C ATOM 723 CG LEU A 126 182.787 -6.535 -1.255 1.00 0.00 C ATOM 724 CD1 LEU A 126 181.931 -7.418 -2.163 1.00 0.00 C ATOM 725 CD2 LEU A 126 182.134 -6.444 0.128 1.00 0.00 C ATOM 0 H LEU A 126 184.945 -5.494 -2.658 1.00 0.00 H new ATOM 0 HA LEU A 126 184.772 -5.513 0.229 1.00 0.00 H new ATOM 0 HB2 LEU A 126 184.516 -7.533 -2.084 1.00 0.00 H new ATOM 0 HB3 LEU A 126 184.158 -7.987 -0.430 1.00 0.00 H new ATOM 0 HG LEU A 126 182.867 -5.537 -1.686 1.00 0.00 H new ATOM 0 HD11 LEU A 126 180.936 -6.984 -2.259 1.00 0.00 H new ATOM 0 HD12 LEU A 126 182.394 -7.485 -3.147 1.00 0.00 H new ATOM 0 HD13 LEU A 126 181.852 -8.415 -1.731 1.00 0.00 H new ATOM 0 HD21 LEU A 126 181.139 -6.009 0.033 1.00 0.00 H new ATOM 0 HD22 LEU A 126 182.054 -7.442 0.559 1.00 0.00 H new ATOM 0 HD23 LEU A 126 182.744 -5.816 0.778 1.00 0.00 H new ATOM 737 N LYS A 127 187.438 -6.840 -1.013 1.00 0.00 N ATOM 738 CA LYS A 127 188.719 -7.519 -0.640 1.00 0.00 C ATOM 739 C LYS A 127 189.349 -6.868 0.596 1.00 0.00 C ATOM 740 O LYS A 127 190.139 -7.478 1.291 1.00 0.00 O ATOM 741 CB LYS A 127 189.635 -7.319 -1.850 1.00 0.00 C ATOM 742 CG LYS A 127 190.904 -8.155 -1.672 1.00 0.00 C ATOM 743 CD LYS A 127 191.815 -7.969 -2.887 1.00 0.00 C ATOM 744 CE LYS A 127 193.076 -8.821 -2.716 1.00 0.00 C ATOM 745 NZ LYS A 127 193.330 -9.407 -4.061 1.00 0.00 N ATOM 0 H LYS A 127 187.407 -6.471 -1.963 1.00 0.00 H new ATOM 0 HA LYS A 127 188.559 -8.570 -0.397 1.00 0.00 H new ATOM 0 HB2 LYS A 127 189.118 -7.613 -2.764 1.00 0.00 H new ATOM 0 HB3 LYS A 127 189.893 -6.265 -1.954 1.00 0.00 H new ATOM 0 HG2 LYS A 127 191.426 -7.854 -0.764 1.00 0.00 H new ATOM 0 HG3 LYS A 127 190.645 -9.207 -1.556 1.00 0.00 H new ATOM 0 HD2 LYS A 127 191.289 -8.258 -3.797 1.00 0.00 H new ATOM 0 HD3 LYS A 127 192.085 -6.918 -2.995 1.00 0.00 H new ATOM 0 HE2 LYS A 127 193.919 -8.216 -2.384 1.00 0.00 H new ATOM 0 HE3 LYS A 127 192.928 -9.600 -1.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 194.180 -10.005 -4.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 192.513 -9.983 -4.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 193.474 -8.642 -4.751 1.00 0.00 H new ATOM 759 N GLY A 128 189.004 -5.635 0.872 1.00 0.00 N ATOM 760 CA GLY A 128 189.579 -4.938 2.059 1.00 0.00 C ATOM 761 C GLY A 128 188.474 -4.617 3.074 1.00 0.00 C ATOM 762 O GLY A 128 188.755 -4.289 4.212 1.00 0.00 O ATOM 0 H GLY A 128 188.346 -5.081 0.323 1.00 0.00 H new ATOM 0 HA2 GLY A 128 190.339 -5.565 2.525 1.00 0.00 H new ATOM 0 HA3 GLY A 128 190.073 -4.018 1.745 1.00 0.00 H new ATOM 766 N VAL A 129 187.221 -4.706 2.681 1.00 0.00 N ATOM 767 CA VAL A 129 186.114 -4.400 3.638 1.00 0.00 C ATOM 768 C VAL A 129 186.054 -5.471 4.731 1.00 0.00 C ATOM 769 O VAL A 129 186.135 -6.657 4.473 1.00 0.00 O ATOM 770 CB VAL A 129 184.831 -4.381 2.798 1.00 0.00 C ATOM 771 CG1 VAL A 129 183.627 -4.089 3.697 1.00 0.00 C ATOM 772 CG2 VAL A 129 184.939 -3.290 1.729 1.00 0.00 C ATOM 0 H VAL A 129 186.923 -4.976 1.744 1.00 0.00 H new ATOM 0 HA VAL A 129 186.259 -3.446 4.145 1.00 0.00 H new ATOM 0 HB VAL A 129 184.700 -5.353 2.322 1.00 0.00 H new ATOM 0 HG11 VAL A 129 182.718 -4.077 3.095 1.00 0.00 H new ATOM 0 HG12 VAL A 129 183.546 -4.863 4.460 1.00 0.00 H new ATOM 0 HG13 VAL A 129 183.758 -3.119 4.177 1.00 0.00 H new ATOM 0 HG21 VAL A 129 184.028 -3.275 1.131 1.00 0.00 H new ATOM 0 HG22 VAL A 129 185.073 -2.321 2.210 1.00 0.00 H new ATOM 0 HG23 VAL A 129 185.793 -3.496 1.084 1.00 0.00 H new ATOM 782 N GLU A 130 185.932 -5.035 5.956 1.00 0.00 N ATOM 783 CA GLU A 130 185.884 -5.979 7.110 1.00 0.00 C ATOM 784 C GLU A 130 184.444 -6.313 7.509 1.00 0.00 C ATOM 785 O GLU A 130 183.800 -5.575 8.232 1.00 0.00 O ATOM 786 CB GLU A 130 186.583 -5.233 8.246 1.00 0.00 C ATOM 787 CG GLU A 130 186.717 -6.157 9.459 1.00 0.00 C ATOM 788 CD GLU A 130 187.406 -5.408 10.600 1.00 0.00 C ATOM 789 OE1 GLU A 130 188.626 -5.418 10.637 1.00 0.00 O ATOM 790 OE2 GLU A 130 186.704 -4.837 11.418 1.00 0.00 O ATOM 0 H GLU A 130 185.863 -4.049 6.210 1.00 0.00 H new ATOM 0 HA GLU A 130 186.359 -6.930 6.867 1.00 0.00 H new ATOM 0 HB2 GLU A 130 187.568 -4.896 7.922 1.00 0.00 H new ATOM 0 HB3 GLU A 130 186.014 -4.343 8.515 1.00 0.00 H new ATOM 0 HG2 GLU A 130 185.733 -6.500 9.778 1.00 0.00 H new ATOM 0 HG3 GLU A 130 187.293 -7.043 9.192 1.00 0.00 H new ATOM 797 N VAL A 131 183.954 -7.443 7.069 1.00 0.00 N ATOM 798 CA VAL A 131 182.576 -7.871 7.440 1.00 0.00 C ATOM 799 C VAL A 131 182.621 -8.528 8.825 1.00 0.00 C ATOM 800 O VAL A 131 183.658 -8.998 9.256 1.00 0.00 O ATOM 801 CB VAL A 131 182.157 -8.877 6.358 1.00 0.00 C ATOM 802 CG1 VAL A 131 183.134 -10.061 6.316 1.00 0.00 C ATOM 803 CG2 VAL A 131 180.752 -9.389 6.666 1.00 0.00 C ATOM 0 H VAL A 131 184.456 -8.092 6.463 1.00 0.00 H new ATOM 0 HA VAL A 131 181.868 -7.044 7.492 1.00 0.00 H new ATOM 0 HB VAL A 131 182.169 -8.379 5.388 1.00 0.00 H new ATOM 0 HG11 VAL A 131 182.821 -10.764 5.544 1.00 0.00 H new ATOM 0 HG12 VAL A 131 184.137 -9.697 6.091 1.00 0.00 H new ATOM 0 HG13 VAL A 131 183.138 -10.564 7.283 1.00 0.00 H new ATOM 0 HG21 VAL A 131 180.449 -10.104 5.901 1.00 0.00 H new ATOM 0 HG22 VAL A 131 180.748 -9.877 7.640 1.00 0.00 H new ATOM 0 HG23 VAL A 131 180.054 -8.552 6.677 1.00 0.00 H new ATOM 813 N ASP A 132 181.520 -8.546 9.531 1.00 0.00 N ATOM 814 CA ASP A 132 181.515 -9.152 10.896 1.00 0.00 C ATOM 815 C ASP A 132 181.018 -10.600 10.861 1.00 0.00 C ATOM 816 O ASP A 132 180.727 -11.151 9.816 1.00 0.00 O ATOM 817 CB ASP A 132 180.556 -8.281 11.708 1.00 0.00 C ATOM 818 CG ASP A 132 181.109 -6.857 11.794 1.00 0.00 C ATOM 819 OD1 ASP A 132 182.196 -6.695 12.322 1.00 0.00 O ATOM 820 OD2 ASP A 132 180.435 -5.952 11.330 1.00 0.00 O ATOM 0 H ASP A 132 180.625 -8.168 9.222 1.00 0.00 H new ATOM 0 HA ASP A 132 182.517 -9.184 11.325 1.00 0.00 H new ATOM 0 HB2 ASP A 132 179.571 -8.273 11.241 1.00 0.00 H new ATOM 0 HB3 ASP A 132 180.430 -8.695 12.709 1.00 0.00 H new ATOM 825 N SER A 133 180.930 -11.216 12.013 1.00 0.00 N ATOM 826 CA SER A 133 180.463 -12.637 12.094 1.00 0.00 C ATOM 827 C SER A 133 178.957 -12.765 11.805 1.00 0.00 C ATOM 828 O SER A 133 178.422 -13.859 11.795 1.00 0.00 O ATOM 829 CB SER A 133 180.769 -13.073 13.526 1.00 0.00 C ATOM 830 OG SER A 133 182.077 -13.626 13.580 1.00 0.00 O ATOM 0 H SER A 133 181.164 -10.792 12.911 1.00 0.00 H new ATOM 0 HA SER A 133 180.962 -13.258 11.350 1.00 0.00 H new ATOM 0 HB2 SER A 133 180.694 -12.221 14.202 1.00 0.00 H new ATOM 0 HB3 SER A 133 180.037 -13.809 13.859 1.00 0.00 H new ATOM 0 HG SER A 133 182.277 -13.905 14.498 1.00 0.00 H new ATOM 836 N ASN A 134 178.268 -11.676 11.550 1.00 0.00 N ATOM 837 CA ASN A 134 176.809 -11.759 11.240 1.00 0.00 C ATOM 838 C ASN A 134 176.561 -11.487 9.748 1.00 0.00 C ATOM 839 O ASN A 134 175.481 -11.730 9.242 1.00 0.00 O ATOM 840 CB ASN A 134 176.149 -10.685 12.106 1.00 0.00 C ATOM 841 CG ASN A 134 174.685 -11.053 12.355 1.00 0.00 C ATOM 842 OD1 ASN A 134 174.312 -12.206 12.270 1.00 0.00 O ATOM 843 ND2 ASN A 134 173.832 -10.113 12.662 1.00 0.00 N ATOM 0 H ASN A 134 178.657 -10.733 11.544 1.00 0.00 H new ATOM 0 HA ASN A 134 176.403 -12.749 11.449 1.00 0.00 H new ATOM 0 HB2 ASN A 134 176.678 -10.593 13.055 1.00 0.00 H new ATOM 0 HB3 ASN A 134 176.212 -9.716 11.611 1.00 0.00 H new ATOM 0 HD21 ASN A 134 172.854 -10.347 12.830 1.00 0.00 H new ATOM 0 HD22 ASN A 134 174.144 -9.145 12.734 1.00 0.00 H new ATOM 850 N GLY A 135 177.550 -10.990 9.038 1.00 0.00 N ATOM 851 CA GLY A 135 177.368 -10.712 7.583 1.00 0.00 C ATOM 852 C GLY A 135 176.819 -9.297 7.388 1.00 0.00 C ATOM 853 O GLY A 135 176.136 -9.017 6.420 1.00 0.00 O ATOM 0 H GLY A 135 178.474 -10.766 9.408 1.00 0.00 H new ATOM 0 HA2 GLY A 135 178.320 -10.817 7.062 1.00 0.00 H new ATOM 0 HA3 GLY A 135 176.684 -11.440 7.147 1.00 0.00 H new ATOM 857 N GLU A 136 177.102 -8.408 8.308 1.00 0.00 N ATOM 858 CA GLU A 136 176.584 -7.013 8.187 1.00 0.00 C ATOM 859 C GLU A 136 177.724 -6.022 7.930 1.00 0.00 C ATOM 860 O GLU A 136 178.762 -6.073 8.560 1.00 0.00 O ATOM 861 CB GLU A 136 175.914 -6.717 9.528 1.00 0.00 C ATOM 862 CG GLU A 136 174.626 -7.534 9.647 1.00 0.00 C ATOM 863 CD GLU A 136 173.885 -7.132 10.924 1.00 0.00 C ATOM 864 OE1 GLU A 136 174.255 -7.621 11.979 1.00 0.00 O ATOM 865 OE2 GLU A 136 172.960 -6.343 10.825 1.00 0.00 O ATOM 0 H GLU A 136 177.669 -8.589 9.136 1.00 0.00 H new ATOM 0 HA GLU A 136 175.893 -6.914 7.350 1.00 0.00 H new ATOM 0 HB2 GLU A 136 176.590 -6.963 10.347 1.00 0.00 H new ATOM 0 HB3 GLU A 136 175.691 -5.653 9.608 1.00 0.00 H new ATOM 0 HG2 GLU A 136 173.992 -7.363 8.777 1.00 0.00 H new ATOM 0 HG3 GLU A 136 174.858 -8.599 9.668 1.00 0.00 H new ATOM 872 N ILE A 137 177.515 -5.112 7.015 1.00 0.00 N ATOM 873 CA ILE A 137 178.557 -4.091 6.707 1.00 0.00 C ATOM 874 C ILE A 137 177.933 -2.694 6.803 1.00 0.00 C ATOM 875 O ILE A 137 176.799 -2.479 6.417 1.00 0.00 O ATOM 876 CB ILE A 137 179.032 -4.410 5.283 1.00 0.00 C ATOM 877 CG1 ILE A 137 179.809 -5.729 5.298 1.00 0.00 C ATOM 878 CG2 ILE A 137 179.956 -3.299 4.766 1.00 0.00 C ATOM 879 CD1 ILE A 137 178.853 -6.900 5.068 1.00 0.00 C ATOM 0 H ILE A 137 176.660 -5.033 6.464 1.00 0.00 H new ATOM 0 HA ILE A 137 179.397 -4.111 7.402 1.00 0.00 H new ATOM 0 HB ILE A 137 178.163 -4.486 4.630 1.00 0.00 H new ATOM 0 HG12 ILE A 137 180.576 -5.718 4.524 1.00 0.00 H new ATOM 0 HG13 ILE A 137 180.321 -5.849 6.253 1.00 0.00 H new ATOM 0 HG21 ILE A 137 180.284 -3.540 3.755 1.00 0.00 H new ATOM 0 HG22 ILE A 137 179.416 -2.352 4.756 1.00 0.00 H new ATOM 0 HG23 ILE A 137 180.825 -3.215 5.419 1.00 0.00 H new ATOM 0 HD11 ILE A 137 179.413 -7.835 5.080 1.00 0.00 H new ATOM 0 HD12 ILE A 137 178.102 -6.917 5.858 1.00 0.00 H new ATOM 0 HD13 ILE A 137 178.361 -6.784 4.102 1.00 0.00 H new ATOM 891 N ASP A 138 178.672 -1.756 7.325 1.00 0.00 N ATOM 892 CA ASP A 138 178.138 -0.366 7.469 1.00 0.00 C ATOM 893 C ASP A 138 177.981 0.294 6.090 1.00 0.00 C ATOM 894 O ASP A 138 178.951 0.648 5.447 1.00 0.00 O ATOM 895 CB ASP A 138 179.172 0.385 8.325 1.00 0.00 C ATOM 896 CG ASP A 138 180.583 0.292 7.717 1.00 0.00 C ATOM 897 OD1 ASP A 138 180.758 -0.420 6.741 1.00 0.00 O ATOM 898 OD2 ASP A 138 181.470 0.941 8.247 1.00 0.00 O ATOM 0 H ASP A 138 179.626 -1.889 7.660 1.00 0.00 H new ATOM 0 HA ASP A 138 177.152 -0.354 7.934 1.00 0.00 H new ATOM 0 HB2 ASP A 138 178.881 1.432 8.413 1.00 0.00 H new ATOM 0 HB3 ASP A 138 179.181 -0.029 9.333 1.00 0.00 H new ATOM 903 N TYR A 139 176.764 0.439 5.623 1.00 0.00 N ATOM 904 CA TYR A 139 176.537 1.049 4.273 1.00 0.00 C ATOM 905 C TYR A 139 177.031 2.501 4.204 1.00 0.00 C ATOM 906 O TYR A 139 177.518 2.943 3.182 1.00 0.00 O ATOM 907 CB TYR A 139 175.018 0.979 4.036 1.00 0.00 C ATOM 908 CG TYR A 139 174.251 1.804 5.043 1.00 0.00 C ATOM 909 CD1 TYR A 139 173.986 3.156 4.789 1.00 0.00 C ATOM 910 CD2 TYR A 139 173.774 1.207 6.215 1.00 0.00 C ATOM 911 CE1 TYR A 139 173.246 3.908 5.708 1.00 0.00 C ATOM 912 CE2 TYR A 139 173.039 1.960 7.137 1.00 0.00 C ATOM 913 CZ TYR A 139 172.773 3.310 6.882 1.00 0.00 C ATOM 914 OH TYR A 139 172.043 4.052 7.789 1.00 0.00 O ATOM 0 H TYR A 139 175.917 0.161 6.118 1.00 0.00 H new ATOM 0 HA TYR A 139 177.097 0.511 3.508 1.00 0.00 H new ATOM 0 HB2 TYR A 139 174.791 1.332 3.030 1.00 0.00 H new ATOM 0 HB3 TYR A 139 174.690 -0.059 4.092 1.00 0.00 H new ATOM 0 HD1 TYR A 139 174.353 3.618 3.884 1.00 0.00 H new ATOM 0 HD2 TYR A 139 173.973 0.163 6.408 1.00 0.00 H new ATOM 0 HE1 TYR A 139 173.040 4.950 5.512 1.00 0.00 H new ATOM 0 HE2 TYR A 139 172.677 1.500 8.045 1.00 0.00 H new ATOM 0 HH TYR A 139 171.411 3.467 8.257 1.00 0.00 H new ATOM 924 N LYS A 140 176.896 3.249 5.273 1.00 0.00 N ATOM 925 CA LYS A 140 177.344 4.680 5.251 1.00 0.00 C ATOM 926 C LYS A 140 178.833 4.785 4.910 1.00 0.00 C ATOM 927 O LYS A 140 179.225 5.471 3.985 1.00 0.00 O ATOM 928 CB LYS A 140 177.109 5.202 6.672 1.00 0.00 C ATOM 929 CG LYS A 140 175.614 5.193 6.989 1.00 0.00 C ATOM 930 CD LYS A 140 175.361 5.971 8.282 1.00 0.00 C ATOM 931 CE LYS A 140 175.512 7.471 8.015 1.00 0.00 C ATOM 932 NZ LYS A 140 174.126 7.959 7.770 1.00 0.00 N ATOM 0 H LYS A 140 176.497 2.933 6.157 1.00 0.00 H new ATOM 0 HA LYS A 140 176.800 5.250 4.498 1.00 0.00 H new ATOM 0 HB2 LYS A 140 177.646 4.582 7.390 1.00 0.00 H new ATOM 0 HB3 LYS A 140 177.504 6.214 6.767 1.00 0.00 H new ATOM 0 HG2 LYS A 140 175.055 5.641 6.168 1.00 0.00 H new ATOM 0 HG3 LYS A 140 175.260 4.167 7.094 1.00 0.00 H new ATOM 0 HD2 LYS A 140 174.360 5.757 8.658 1.00 0.00 H new ATOM 0 HD3 LYS A 140 176.065 5.655 9.052 1.00 0.00 H new ATOM 0 HE2 LYS A 140 175.965 7.980 8.866 1.00 0.00 H new ATOM 0 HE3 LYS A 140 176.154 7.656 7.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 174.147 8.981 7.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 173.723 7.462 6.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 173.540 7.775 8.609 1.00 0.00 H new ATOM 946 N LYS A 141 179.659 4.132 5.679 1.00 0.00 N ATOM 947 CA LYS A 141 181.136 4.200 5.448 1.00 0.00 C ATOM 948 C LYS A 141 181.512 3.687 4.058 1.00 0.00 C ATOM 949 O LYS A 141 182.397 4.221 3.414 1.00 0.00 O ATOM 950 CB LYS A 141 181.754 3.309 6.524 1.00 0.00 C ATOM 951 CG LYS A 141 181.591 3.971 7.894 1.00 0.00 C ATOM 952 CD LYS A 141 182.596 5.116 8.031 1.00 0.00 C ATOM 953 CE LYS A 141 182.330 5.876 9.332 1.00 0.00 C ATOM 954 NZ LYS A 141 183.137 7.124 9.220 1.00 0.00 N ATOM 0 H LYS A 141 179.375 3.548 6.466 1.00 0.00 H new ATOM 0 HA LYS A 141 181.495 5.228 5.502 1.00 0.00 H new ATOM 0 HB2 LYS A 141 181.272 2.331 6.522 1.00 0.00 H new ATOM 0 HB3 LYS A 141 182.810 3.144 6.312 1.00 0.00 H new ATOM 0 HG2 LYS A 141 180.575 4.349 8.008 1.00 0.00 H new ATOM 0 HG3 LYS A 141 181.749 3.238 8.685 1.00 0.00 H new ATOM 0 HD2 LYS A 141 183.613 4.724 8.028 1.00 0.00 H new ATOM 0 HD3 LYS A 141 182.512 5.791 7.179 1.00 0.00 H new ATOM 0 HE2 LYS A 141 181.270 6.100 9.449 1.00 0.00 H new ATOM 0 HE3 LYS A 141 182.629 5.289 10.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 183.007 7.700 10.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 184.142 6.879 9.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 182.826 7.665 8.388 1.00 0.00 H new ATOM 968 N PHE A 142 180.867 2.642 3.598 1.00 0.00 N ATOM 969 CA PHE A 142 181.218 2.084 2.258 1.00 0.00 C ATOM 970 C PHE A 142 180.774 3.052 1.166 1.00 0.00 C ATOM 971 O PHE A 142 181.371 3.124 0.111 1.00 0.00 O ATOM 972 CB PHE A 142 180.477 0.749 2.155 1.00 0.00 C ATOM 973 CG PHE A 142 180.977 -0.028 0.958 1.00 0.00 C ATOM 974 CD1 PHE A 142 182.348 -0.263 0.795 1.00 0.00 C ATOM 975 CD2 PHE A 142 180.066 -0.523 0.016 1.00 0.00 C ATOM 976 CE1 PHE A 142 182.808 -0.990 -0.310 1.00 0.00 C ATOM 977 CE2 PHE A 142 180.526 -1.253 -1.088 1.00 0.00 C ATOM 978 CZ PHE A 142 181.897 -1.485 -1.250 1.00 0.00 C ATOM 0 H PHE A 142 180.118 2.155 4.090 1.00 0.00 H new ATOM 0 HA PHE A 142 182.292 1.940 2.137 1.00 0.00 H new ATOM 0 HB2 PHE A 142 180.628 0.168 3.065 1.00 0.00 H new ATOM 0 HB3 PHE A 142 179.405 0.925 2.063 1.00 0.00 H new ATOM 0 HD1 PHE A 142 183.051 0.117 1.522 1.00 0.00 H new ATOM 0 HD2 PHE A 142 179.009 -0.342 0.141 1.00 0.00 H new ATOM 0 HE1 PHE A 142 183.866 -1.169 -0.437 1.00 0.00 H new ATOM 0 HE2 PHE A 142 179.824 -1.636 -1.813 1.00 0.00 H new ATOM 0 HZ PHE A 142 182.252 -2.047 -2.101 1.00 0.00 H new ATOM 988 N ILE A 143 179.740 3.810 1.420 1.00 0.00 N ATOM 989 CA ILE A 143 179.258 4.794 0.409 1.00 0.00 C ATOM 990 C ILE A 143 180.081 6.084 0.509 1.00 0.00 C ATOM 991 O ILE A 143 180.589 6.582 -0.478 1.00 0.00 O ATOM 992 CB ILE A 143 177.788 5.038 0.776 1.00 0.00 C ATOM 993 CG1 ILE A 143 176.994 3.746 0.578 1.00 0.00 C ATOM 994 CG2 ILE A 143 177.197 6.130 -0.116 1.00 0.00 C ATOM 995 CD1 ILE A 143 175.677 3.831 1.351 1.00 0.00 C ATOM 0 H ILE A 143 179.207 3.789 2.289 1.00 0.00 H new ATOM 0 HA ILE A 143 179.360 4.439 -0.616 1.00 0.00 H new ATOM 0 HB ILE A 143 177.731 5.355 1.817 1.00 0.00 H new ATOM 0 HG12 ILE A 143 176.796 3.588 -0.482 1.00 0.00 H new ATOM 0 HG13 ILE A 143 177.576 2.892 0.924 1.00 0.00 H new ATOM 0 HG21 ILE A 143 176.154 6.295 0.153 1.00 0.00 H new ATOM 0 HG22 ILE A 143 177.758 7.055 0.021 1.00 0.00 H new ATOM 0 HG23 ILE A 143 177.258 5.820 -1.159 1.00 0.00 H new ATOM 0 HD11 ILE A 143 175.112 2.910 1.209 1.00 0.00 H new ATOM 0 HD12 ILE A 143 175.886 3.969 2.412 1.00 0.00 H new ATOM 0 HD13 ILE A 143 175.093 4.675 0.984 1.00 0.00 H new ATOM 1007 N GLU A 144 180.225 6.618 1.694 1.00 0.00 N ATOM 1008 CA GLU A 144 181.025 7.870 1.868 1.00 0.00 C ATOM 1009 C GLU A 144 182.471 7.637 1.422 1.00 0.00 C ATOM 1010 O GLU A 144 183.148 8.558 1.004 1.00 0.00 O ATOM 1011 CB GLU A 144 180.973 8.178 3.365 1.00 0.00 C ATOM 1012 CG GLU A 144 179.559 8.617 3.749 1.00 0.00 C ATOM 1013 CD GLU A 144 179.508 8.925 5.246 1.00 0.00 C ATOM 1014 OE1 GLU A 144 179.999 8.114 6.014 1.00 0.00 O ATOM 1015 OE2 GLU A 144 178.978 9.965 5.600 1.00 0.00 O ATOM 0 H GLU A 144 179.822 6.241 2.552 1.00 0.00 H new ATOM 0 HA GLU A 144 180.632 8.693 1.271 1.00 0.00 H new ATOM 0 HB2 GLU A 144 181.259 7.296 3.938 1.00 0.00 H new ATOM 0 HB3 GLU A 144 181.688 8.963 3.610 1.00 0.00 H new ATOM 0 HG2 GLU A 144 179.273 9.499 3.176 1.00 0.00 H new ATOM 0 HG3 GLU A 144 178.844 7.831 3.504 1.00 0.00 H new ATOM 1022 N ASP A 145 182.948 6.418 1.493 1.00 0.00 N ATOM 1023 CA ASP A 145 184.349 6.144 1.051 1.00 0.00 C ATOM 1024 C ASP A 145 184.387 5.835 -0.455 1.00 0.00 C ATOM 1025 O ASP A 145 185.440 5.866 -1.065 1.00 0.00 O ATOM 1026 CB ASP A 145 184.836 4.960 1.886 1.00 0.00 C ATOM 1027 CG ASP A 145 186.356 4.840 1.767 1.00 0.00 C ATOM 1028 OD1 ASP A 145 186.836 4.723 0.652 1.00 0.00 O ATOM 1029 OD2 ASP A 145 187.014 4.869 2.794 1.00 0.00 O ATOM 0 H ASP A 145 182.432 5.608 1.835 1.00 0.00 H new ATOM 0 HA ASP A 145 184.997 7.008 1.201 1.00 0.00 H new ATOM 0 HB2 ASP A 145 184.552 5.097 2.930 1.00 0.00 H new ATOM 0 HB3 ASP A 145 184.360 4.041 1.544 1.00 0.00 H new ATOM 1034 N VAL A 146 183.252 5.593 -1.072 1.00 0.00 N ATOM 1035 CA VAL A 146 183.236 5.349 -2.546 1.00 0.00 C ATOM 1036 C VAL A 146 182.907 6.682 -3.233 1.00 0.00 C ATOM 1037 O VAL A 146 183.469 7.033 -4.252 1.00 0.00 O ATOM 1038 CB VAL A 146 182.143 4.289 -2.772 1.00 0.00 C ATOM 1039 CG1 VAL A 146 181.796 4.178 -4.263 1.00 0.00 C ATOM 1040 CG2 VAL A 146 182.655 2.933 -2.283 1.00 0.00 C ATOM 0 H VAL A 146 182.340 5.555 -0.617 1.00 0.00 H new ATOM 0 HA VAL A 146 184.183 4.994 -2.952 1.00 0.00 H new ATOM 0 HB VAL A 146 181.250 4.584 -2.221 1.00 0.00 H new ATOM 0 HG11 VAL A 146 181.022 3.423 -4.401 1.00 0.00 H new ATOM 0 HG12 VAL A 146 181.434 5.140 -4.625 1.00 0.00 H new ATOM 0 HG13 VAL A 146 182.686 3.891 -4.823 1.00 0.00 H new ATOM 0 HG21 VAL A 146 181.887 2.176 -2.439 1.00 0.00 H new ATOM 0 HG22 VAL A 146 183.552 2.660 -2.840 1.00 0.00 H new ATOM 0 HG23 VAL A 146 182.892 2.995 -1.221 1.00 0.00 H new ATOM 1050 N LEU A 147 182.008 7.431 -2.648 1.00 0.00 N ATOM 1051 CA LEU A 147 181.629 8.766 -3.208 1.00 0.00 C ATOM 1052 C LEU A 147 182.858 9.672 -3.325 1.00 0.00 C ATOM 1053 O LEU A 147 182.913 10.559 -4.156 1.00 0.00 O ATOM 1054 CB LEU A 147 180.638 9.354 -2.201 1.00 0.00 C ATOM 1055 CG LEU A 147 179.538 10.116 -2.944 1.00 0.00 C ATOM 1056 CD1 LEU A 147 178.593 9.121 -3.620 1.00 0.00 C ATOM 1057 CD2 LEU A 147 178.749 10.970 -1.948 1.00 0.00 C ATOM 0 H LEU A 147 181.513 7.172 -1.795 1.00 0.00 H new ATOM 0 HA LEU A 147 181.202 8.678 -4.207 1.00 0.00 H new ATOM 0 HB2 LEU A 147 180.200 8.557 -1.600 1.00 0.00 H new ATOM 0 HB3 LEU A 147 181.157 10.023 -1.514 1.00 0.00 H new ATOM 0 HG LEU A 147 179.989 10.759 -3.700 1.00 0.00 H new ATOM 0 HD11 LEU A 147 177.810 9.665 -4.149 1.00 0.00 H new ATOM 0 HD12 LEU A 147 179.153 8.511 -4.329 1.00 0.00 H new ATOM 0 HD13 LEU A 147 178.141 8.478 -2.865 1.00 0.00 H new ATOM 0 HD21 LEU A 147 177.965 11.513 -2.476 1.00 0.00 H new ATOM 0 HD22 LEU A 147 178.299 10.326 -1.193 1.00 0.00 H new ATOM 0 HD23 LEU A 147 179.421 11.680 -1.465 1.00 0.00 H new ATOM 1069 N ARG A 148 183.841 9.450 -2.492 1.00 0.00 N ATOM 1070 CA ARG A 148 185.086 10.286 -2.531 1.00 0.00 C ATOM 1071 C ARG A 148 185.678 10.316 -3.946 1.00 0.00 C ATOM 1072 O ARG A 148 185.691 9.317 -4.641 1.00 0.00 O ATOM 1073 CB ARG A 148 186.057 9.594 -1.572 1.00 0.00 C ATOM 1074 CG ARG A 148 185.760 10.035 -0.138 1.00 0.00 C ATOM 1075 CD ARG A 148 186.631 9.236 0.834 1.00 0.00 C ATOM 1076 NE ARG A 148 188.028 9.655 0.530 1.00 0.00 N ATOM 1077 CZ ARG A 148 188.850 8.818 -0.041 1.00 0.00 C ATOM 1078 NH1 ARG A 148 188.991 7.613 0.435 1.00 0.00 N ATOM 1079 NH2 ARG A 148 189.533 9.189 -1.091 1.00 0.00 N ATOM 0 H ARG A 148 183.838 8.720 -1.779 1.00 0.00 H new ATOM 0 HA ARG A 148 184.887 11.320 -2.249 1.00 0.00 H new ATOM 0 HB2 ARG A 148 185.960 8.512 -1.658 1.00 0.00 H new ATOM 0 HB3 ARG A 148 187.085 9.844 -1.835 1.00 0.00 H new ATOM 0 HG2 ARG A 148 185.957 11.101 -0.026 1.00 0.00 H new ATOM 0 HG3 ARG A 148 184.706 9.880 0.090 1.00 0.00 H new ATOM 0 HD2 ARG A 148 186.370 9.454 1.869 1.00 0.00 H new ATOM 0 HD3 ARG A 148 186.500 8.163 0.691 1.00 0.00 H new ATOM 0 HE ARG A 148 188.342 10.596 0.768 1.00 0.00 H new ATOM 0 HH11 ARG A 148 188.458 7.323 1.255 1.00 0.00 H new ATOM 0 HH12 ARG A 148 189.634 6.960 -0.013 1.00 0.00 H new ATOM 0 HH21 ARG A 148 189.423 10.132 -1.464 1.00 0.00 H new ATOM 0 HH22 ARG A 148 190.176 8.536 -1.538 1.00 0.00 H new ATOM 1093 N GLN A 149 186.163 11.454 -4.370 1.00 0.00 N ATOM 1094 CA GLN A 149 186.756 11.557 -5.738 1.00 0.00 C ATOM 1095 C GLN A 149 187.642 12.803 -5.840 1.00 0.00 C ATOM 1096 O GLN A 149 187.383 13.750 -5.116 1.00 0.00 O ATOM 1097 CB GLN A 149 185.558 11.665 -6.690 1.00 0.00 C ATOM 1098 CG GLN A 149 184.695 12.884 -6.321 1.00 0.00 C ATOM 1099 CD GLN A 149 184.517 13.786 -7.546 1.00 0.00 C ATOM 1100 OE1 GLN A 149 184.425 13.308 -8.660 1.00 0.00 O ATOM 1101 NE2 GLN A 149 184.467 15.081 -7.386 1.00 0.00 N ATOM 1102 OXT GLN A 149 188.563 12.788 -6.640 1.00 0.00 O ATOM 0 H GLN A 149 186.174 12.318 -3.828 1.00 0.00 H new ATOM 0 HA GLN A 149 187.386 10.701 -5.978 1.00 0.00 H new ATOM 0 HB2 GLN A 149 185.908 11.756 -7.718 1.00 0.00 H new ATOM 0 HB3 GLN A 149 184.959 10.756 -6.637 1.00 0.00 H new ATOM 0 HG2 GLN A 149 183.722 12.555 -5.956 1.00 0.00 H new ATOM 0 HG3 GLN A 149 185.166 13.443 -5.512 1.00 0.00 H new ATOM 0 HE21 GLN A 149 184.544 15.483 -6.452 1.00 0.00 H new ATOM 0 HE22 GLN A 149 184.351 15.691 -8.195 1.00 0.00 H new TER 1111 GLN A 149