USER MOD reduce.3.24.130724 H: found=0, std=0, add=306, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 309 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 121 ASN : amide:sc= -1.28 K(o=-2.5,f=0.64) USER MOD Set 1.2: A 122 SER OG : rot 180:sc= -1.22 USER MOD Set 2.1: A 111 SER OG : rot 132:sc= 1.3 USER MOD Set 2.2: A 113 SER OG : rot 180:sc= 0.947 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= -0.171 USER MOD Single : A 92 MET CE :methyl -169:sc= -2.1 (180deg=-2.53!) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc=-0.00085 USER MOD Single : A 107 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0507) USER MOD Single : A 115 SER OG : rot -160:sc= 0 USER MOD Single : A 117 SER OG : rot 88:sc= 0.00486 USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 82 62.486 14.621 9.947 1.00 0.00 N ATOM 2 CA GLY A 82 62.608 16.069 9.619 1.00 0.00 C ATOM 3 C GLY A 82 62.741 16.317 8.129 1.00 0.00 C ATOM 4 O GLY A 82 63.779 16.027 7.535 1.00 0.00 O ATOM 0 HA2 GLY A 82 61.733 16.599 9.996 1.00 0.00 H new ATOM 0 HA3 GLY A 82 63.476 16.483 10.132 1.00 0.00 H new ATOM 10 N SER A 83 61.686 16.853 7.525 1.00 0.00 N ATOM 11 CA SER A 83 61.686 17.139 6.094 1.00 0.00 C ATOM 12 C SER A 83 60.360 17.757 5.665 1.00 0.00 C ATOM 13 O SER A 83 59.511 18.071 6.499 1.00 0.00 O ATOM 14 CB SER A 83 61.948 15.859 5.298 1.00 0.00 C ATOM 15 OG SER A 83 62.906 16.079 4.277 1.00 0.00 O ATOM 0 H SER A 83 60.819 17.098 8.004 1.00 0.00 H new ATOM 0 HA SER A 83 62.483 17.854 5.890 1.00 0.00 H new ATOM 0 HB2 SER A 83 62.301 15.076 5.969 1.00 0.00 H new ATOM 0 HB3 SER A 83 61.017 15.505 4.856 1.00 0.00 H new ATOM 0 HG SER A 83 63.057 15.245 3.784 1.00 0.00 H new ATOM 21 N GLY A 84 60.186 17.926 4.359 1.00 0.00 N ATOM 22 CA GLY A 84 58.959 18.502 3.844 1.00 0.00 C ATOM 23 C GLY A 84 57.845 17.481 3.730 1.00 0.00 C ATOM 24 O GLY A 84 57.028 17.340 4.640 1.00 0.00 O ATOM 0 H GLY A 84 60.873 17.674 3.648 1.00 0.00 H new ATOM 0 HA2 GLY A 84 58.639 19.313 4.498 1.00 0.00 H new ATOM 0 HA3 GLY A 84 59.149 18.939 2.864 1.00 0.00 H new ATOM 28 N SER A 85 57.813 16.766 2.611 1.00 0.00 N ATOM 29 CA SER A 85 56.791 15.751 2.382 1.00 0.00 C ATOM 30 C SER A 85 57.348 14.597 1.553 1.00 0.00 C ATOM 31 O SER A 85 56.754 14.193 0.553 1.00 0.00 O ATOM 32 CB SER A 85 55.581 16.368 1.677 1.00 0.00 C ATOM 33 OG SER A 85 54.369 15.870 2.215 1.00 0.00 O ATOM 0 H SER A 85 58.483 16.870 1.849 1.00 0.00 H new ATOM 0 HA SER A 85 56.477 15.359 3.349 1.00 0.00 H new ATOM 0 HB2 SER A 85 55.610 17.453 1.781 1.00 0.00 H new ATOM 0 HB3 SER A 85 55.627 16.148 0.610 1.00 0.00 H new ATOM 0 HG SER A 85 53.611 16.281 1.749 1.00 0.00 H new ATOM 39 N GLU A 86 58.496 14.072 1.973 1.00 0.00 N ATOM 40 CA GLU A 86 59.140 12.967 1.269 1.00 0.00 C ATOM 41 C GLU A 86 58.177 11.795 1.084 1.00 0.00 C ATOM 42 O GLU A 86 57.385 11.485 1.973 1.00 0.00 O ATOM 43 CB GLU A 86 60.381 12.502 2.033 1.00 0.00 C ATOM 44 CG GLU A 86 61.410 13.600 2.248 1.00 0.00 C ATOM 45 CD GLU A 86 62.478 13.617 1.173 1.00 0.00 C ATOM 46 OE1 GLU A 86 62.119 13.704 -0.020 1.00 0.00 O ATOM 47 OE2 GLU A 86 63.675 13.543 1.524 1.00 0.00 O ATOM 0 H GLU A 86 59.000 14.395 2.799 1.00 0.00 H new ATOM 0 HA GLU A 86 59.438 13.326 0.284 1.00 0.00 H new ATOM 0 HB2 GLU A 86 60.074 12.108 3.002 1.00 0.00 H new ATOM 0 HB3 GLU A 86 60.847 11.681 1.488 1.00 0.00 H new ATOM 0 HG2 GLU A 86 60.906 14.566 2.269 1.00 0.00 H new ATOM 0 HG3 GLU A 86 61.882 13.465 3.221 1.00 0.00 H new ATOM 54 N PRO A 87 58.229 11.129 -0.083 1.00 0.00 N ATOM 55 CA PRO A 87 57.360 9.996 -0.386 1.00 0.00 C ATOM 56 C PRO A 87 57.916 8.670 0.128 1.00 0.00 C ATOM 57 O PRO A 87 59.082 8.344 -0.095 1.00 0.00 O ATOM 58 CB PRO A 87 57.333 10.002 -1.911 1.00 0.00 C ATOM 59 CG PRO A 87 58.685 10.495 -2.303 1.00 0.00 C ATOM 60 CD PRO A 87 59.137 11.432 -1.208 1.00 0.00 C ATOM 0 HA PRO A 87 56.382 10.088 0.087 1.00 0.00 H new ATOM 0 HB2 PRO A 87 57.142 9.005 -2.309 1.00 0.00 H new ATOM 0 HB3 PRO A 87 56.546 10.653 -2.292 1.00 0.00 H new ATOM 0 HG2 PRO A 87 59.383 9.665 -2.415 1.00 0.00 H new ATOM 0 HG3 PRO A 87 58.646 11.011 -3.263 1.00 0.00 H new ATOM 0 HD2 PRO A 87 60.179 11.258 -0.938 1.00 0.00 H new ATOM 0 HD3 PRO A 87 59.057 12.474 -1.516 1.00 0.00 H new ATOM 68 N ALA A 88 57.068 7.907 0.808 1.00 0.00 N ATOM 69 CA ALA A 88 57.459 6.612 1.347 1.00 0.00 C ATOM 70 C ALA A 88 56.661 5.499 0.680 1.00 0.00 C ATOM 71 O ALA A 88 55.509 5.249 1.034 1.00 0.00 O ATOM 72 CB ALA A 88 57.263 6.583 2.856 1.00 0.00 C ATOM 0 H ALA A 88 56.100 8.166 0.999 1.00 0.00 H new ATOM 0 HA ALA A 88 58.516 6.452 1.136 1.00 0.00 H new ATOM 0 HB1 ALA A 88 57.560 5.608 3.243 1.00 0.00 H new ATOM 0 HB2 ALA A 88 57.875 7.358 3.317 1.00 0.00 H new ATOM 0 HB3 ALA A 88 56.214 6.762 3.090 1.00 0.00 H new ATOM 78 N VAL A 89 57.277 4.843 -0.296 1.00 0.00 N ATOM 79 CA VAL A 89 56.622 3.765 -1.022 1.00 0.00 C ATOM 80 C VAL A 89 56.638 2.467 -0.225 1.00 0.00 C ATOM 81 O VAL A 89 57.696 2.000 0.196 1.00 0.00 O ATOM 82 CB VAL A 89 57.302 3.519 -2.383 1.00 0.00 C ATOM 83 CG1 VAL A 89 56.534 2.485 -3.192 1.00 0.00 C ATOM 84 CG2 VAL A 89 57.440 4.824 -3.156 1.00 0.00 C ATOM 0 H VAL A 89 58.230 5.040 -0.602 1.00 0.00 H new ATOM 0 HA VAL A 89 55.589 4.075 -1.181 1.00 0.00 H new ATOM 0 HB VAL A 89 58.302 3.126 -2.200 1.00 0.00 H new ATOM 0 HG11 VAL A 89 57.033 2.328 -4.148 1.00 0.00 H new ATOM 0 HG12 VAL A 89 56.500 1.545 -2.642 1.00 0.00 H new ATOM 0 HG13 VAL A 89 55.518 2.840 -3.366 1.00 0.00 H new ATOM 0 HG21 VAL A 89 57.922 4.630 -4.114 1.00 0.00 H new ATOM 0 HG22 VAL A 89 56.452 5.252 -3.327 1.00 0.00 H new ATOM 0 HG23 VAL A 89 58.045 5.525 -2.581 1.00 0.00 H new ATOM 94 N CYS A 90 55.461 1.878 -0.036 1.00 0.00 N ATOM 95 CA CYS A 90 55.352 0.624 0.694 1.00 0.00 C ATOM 96 C CYS A 90 55.930 -0.511 -0.141 1.00 0.00 C ATOM 97 O CYS A 90 55.419 -0.831 -1.212 1.00 0.00 O ATOM 98 CB CYS A 90 53.894 0.333 1.055 1.00 0.00 C ATOM 99 SG CYS A 90 53.662 -1.176 2.027 1.00 0.00 S ATOM 0 H CYS A 90 54.574 2.249 -0.377 1.00 0.00 H new ATOM 0 HA CYS A 90 55.920 0.708 1.621 1.00 0.00 H new ATOM 0 HB2 CYS A 90 53.494 1.178 1.615 1.00 0.00 H new ATOM 0 HB3 CYS A 90 53.312 0.254 0.137 1.00 0.00 H new ATOM 104 N GLU A 91 57.010 -1.103 0.348 1.00 0.00 N ATOM 105 CA GLU A 91 57.671 -2.190 -0.362 1.00 0.00 C ATOM 106 C GLU A 91 56.845 -3.473 -0.325 1.00 0.00 C ATOM 107 O GLU A 91 57.043 -4.368 -1.147 1.00 0.00 O ATOM 108 CB GLU A 91 59.053 -2.447 0.242 1.00 0.00 C ATOM 109 CG GLU A 91 59.895 -3.424 -0.562 1.00 0.00 C ATOM 110 CD GLU A 91 61.272 -2.878 -0.887 1.00 0.00 C ATOM 111 OE1 GLU A 91 61.703 -3.009 -2.052 1.00 0.00 O ATOM 112 OE2 GLU A 91 61.919 -2.318 0.023 1.00 0.00 O ATOM 0 H GLU A 91 57.448 -0.849 1.234 1.00 0.00 H new ATOM 0 HA GLU A 91 57.776 -1.888 -1.404 1.00 0.00 H new ATOM 0 HB2 GLU A 91 59.587 -1.500 0.322 1.00 0.00 H new ATOM 0 HB3 GLU A 91 58.932 -2.832 1.255 1.00 0.00 H new ATOM 0 HG2 GLU A 91 60.000 -4.354 -0.002 1.00 0.00 H new ATOM 0 HG3 GLU A 91 59.376 -3.667 -1.489 1.00 0.00 H new ATOM 119 N MET A 92 55.941 -3.574 0.644 1.00 0.00 N ATOM 120 CA MET A 92 55.120 -4.771 0.789 1.00 0.00 C ATOM 121 C MET A 92 53.749 -4.637 0.126 1.00 0.00 C ATOM 122 O MET A 92 53.045 -5.635 -0.032 1.00 0.00 O ATOM 123 CB MET A 92 54.940 -5.106 2.270 1.00 0.00 C ATOM 124 CG MET A 92 54.620 -6.571 2.528 1.00 0.00 C ATOM 125 SD MET A 92 53.325 -6.792 3.764 1.00 0.00 S ATOM 126 CE MET A 92 52.526 -8.277 3.162 1.00 0.00 C ATOM 0 H MET A 92 55.759 -2.847 1.336 1.00 0.00 H new ATOM 0 HA MET A 92 55.648 -5.577 0.280 1.00 0.00 H new ATOM 0 HB2 MET A 92 55.851 -4.842 2.807 1.00 0.00 H new ATOM 0 HB3 MET A 92 54.139 -4.490 2.679 1.00 0.00 H new ATOM 0 HG2 MET A 92 54.310 -7.041 1.595 1.00 0.00 H new ATOM 0 HG3 MET A 92 55.523 -7.084 2.858 1.00 0.00 H new ATOM 0 HE1 MET A 92 51.592 -8.432 3.702 1.00 0.00 H new ATOM 0 HE2 MET A 92 52.317 -8.172 2.098 1.00 0.00 H new ATOM 0 HE3 MET A 92 53.182 -9.133 3.320 1.00 0.00 H new ATOM 136 N CYS A 93 53.349 -3.423 -0.250 1.00 0.00 N ATOM 137 CA CYS A 93 52.042 -3.225 -0.874 1.00 0.00 C ATOM 138 C CYS A 93 52.143 -2.369 -2.135 1.00 0.00 C ATOM 139 O CYS A 93 51.529 -2.679 -3.156 1.00 0.00 O ATOM 140 CB CYS A 93 51.081 -2.561 0.113 1.00 0.00 C ATOM 141 SG CYS A 93 50.930 -3.415 1.698 1.00 0.00 S ATOM 0 H CYS A 93 53.902 -2.573 -0.136 1.00 0.00 H new ATOM 0 HA CYS A 93 51.663 -4.207 -1.156 1.00 0.00 H new ATOM 0 HB2 CYS A 93 51.415 -1.540 0.295 1.00 0.00 H new ATOM 0 HB3 CYS A 93 50.095 -2.497 -0.347 1.00 0.00 H new ATOM 146 N GLY A 94 52.921 -1.291 -2.061 1.00 0.00 N ATOM 147 CA GLY A 94 53.085 -0.413 -3.207 1.00 0.00 C ATOM 148 C GLY A 94 52.619 1.009 -2.940 1.00 0.00 C ATOM 149 O GLY A 94 53.171 1.961 -3.492 1.00 0.00 O ATOM 0 H GLY A 94 53.440 -1.011 -1.229 1.00 0.00 H new ATOM 0 HA2 GLY A 94 54.136 -0.396 -3.497 1.00 0.00 H new ATOM 0 HA3 GLY A 94 52.528 -0.819 -4.051 1.00 0.00 H new ATOM 153 N ILE A 95 51.595 1.155 -2.101 1.00 0.00 N ATOM 154 CA ILE A 95 51.049 2.472 -1.774 1.00 0.00 C ATOM 155 C ILE A 95 52.134 3.436 -1.305 1.00 0.00 C ATOM 156 O ILE A 95 52.955 3.096 -0.453 1.00 0.00 O ATOM 157 CB ILE A 95 49.971 2.379 -0.675 1.00 0.00 C ATOM 158 CG1 ILE A 95 48.945 1.296 -1.016 1.00 0.00 C ATOM 159 CG2 ILE A 95 49.285 3.725 -0.489 1.00 0.00 C ATOM 160 CD1 ILE A 95 49.054 0.065 -0.144 1.00 0.00 C ATOM 0 H ILE A 95 51.126 0.378 -1.635 1.00 0.00 H new ATOM 0 HA ILE A 95 50.604 2.851 -2.694 1.00 0.00 H new ATOM 0 HB ILE A 95 50.457 2.106 0.262 1.00 0.00 H new ATOM 0 HG12 ILE A 95 47.943 1.713 -0.919 1.00 0.00 H new ATOM 0 HG13 ILE A 95 49.069 1.005 -2.059 1.00 0.00 H new ATOM 0 HG21 ILE A 95 48.527 3.643 0.290 1.00 0.00 H new ATOM 0 HG22 ILE A 95 50.023 4.473 -0.199 1.00 0.00 H new ATOM 0 HG23 ILE A 95 48.813 4.025 -1.424 1.00 0.00 H new ATOM 0 HD11 ILE A 95 48.297 -0.660 -0.442 1.00 0.00 H new ATOM 0 HD12 ILE A 95 50.044 -0.376 -0.259 1.00 0.00 H new ATOM 0 HD13 ILE A 95 48.900 0.343 0.899 1.00 0.00 H new ATOM 172 N VAL A 96 52.126 4.644 -1.865 1.00 0.00 N ATOM 173 CA VAL A 96 53.100 5.666 -1.504 1.00 0.00 C ATOM 174 C VAL A 96 52.412 6.858 -0.844 1.00 0.00 C ATOM 175 O VAL A 96 51.319 7.255 -1.248 1.00 0.00 O ATOM 176 CB VAL A 96 53.878 6.162 -2.738 1.00 0.00 C ATOM 177 CG1 VAL A 96 55.080 6.992 -2.316 1.00 0.00 C ATOM 178 CG2 VAL A 96 54.309 4.992 -3.607 1.00 0.00 C ATOM 0 H VAL A 96 51.452 4.937 -2.573 1.00 0.00 H new ATOM 0 HA VAL A 96 53.799 5.209 -0.803 1.00 0.00 H new ATOM 0 HB VAL A 96 53.216 6.797 -3.327 1.00 0.00 H new ATOM 0 HG11 VAL A 96 55.616 7.333 -3.202 1.00 0.00 H new ATOM 0 HG12 VAL A 96 54.743 7.855 -1.742 1.00 0.00 H new ATOM 0 HG13 VAL A 96 55.744 6.384 -1.701 1.00 0.00 H new ATOM 0 HG21 VAL A 96 54.857 5.364 -4.473 1.00 0.00 H new ATOM 0 HG22 VAL A 96 54.951 4.327 -3.030 1.00 0.00 H new ATOM 0 HG23 VAL A 96 53.428 4.444 -3.943 1.00 0.00 H new ATOM 188 N GLY A 97 53.059 7.430 0.167 1.00 0.00 N ATOM 189 CA GLY A 97 52.494 8.577 0.857 1.00 0.00 C ATOM 190 C GLY A 97 53.566 9.490 1.419 1.00 0.00 C ATOM 191 O GLY A 97 54.754 9.249 1.225 1.00 0.00 O ATOM 0 H GLY A 97 53.964 7.120 0.521 1.00 0.00 H new ATOM 0 HA2 GLY A 97 51.864 9.140 0.168 1.00 0.00 H new ATOM 0 HA3 GLY A 97 51.851 8.232 1.667 1.00 0.00 H new ATOM 195 N THR A 98 53.152 10.534 2.127 1.00 0.00 N ATOM 196 CA THR A 98 54.099 11.469 2.726 1.00 0.00 C ATOM 197 C THR A 98 54.531 10.975 4.103 1.00 0.00 C ATOM 198 O THR A 98 53.728 10.410 4.843 1.00 0.00 O ATOM 199 CB THR A 98 53.482 12.864 2.841 1.00 0.00 C ATOM 200 OG1 THR A 98 52.474 12.886 3.837 1.00 0.00 O ATOM 201 CG2 THR A 98 52.863 13.355 1.551 1.00 0.00 C ATOM 0 H THR A 98 52.171 10.755 2.300 1.00 0.00 H new ATOM 0 HA THR A 98 54.975 11.529 2.080 1.00 0.00 H new ATOM 0 HB THR A 98 54.310 13.524 3.101 1.00 0.00 H new ATOM 0 HG1 THR A 98 52.093 13.787 3.897 1.00 0.00 H new ATOM 0 HG21 THR A 98 52.444 14.350 1.704 1.00 0.00 H new ATOM 0 HG22 THR A 98 53.627 13.398 0.774 1.00 0.00 H new ATOM 0 HG23 THR A 98 52.071 12.671 1.244 1.00 0.00 H new ATOM 209 N ARG A 99 55.805 11.172 4.433 1.00 0.00 N ATOM 210 CA ARG A 99 56.358 10.732 5.716 1.00 0.00 C ATOM 211 C ARG A 99 55.408 10.995 6.886 1.00 0.00 C ATOM 212 O ARG A 99 55.272 10.162 7.781 1.00 0.00 O ATOM 213 CB ARG A 99 57.696 11.428 5.978 1.00 0.00 C ATOM 214 CG ARG A 99 57.700 12.905 5.615 1.00 0.00 C ATOM 215 CD ARG A 99 59.012 13.569 5.998 1.00 0.00 C ATOM 216 NE ARG A 99 58.939 14.213 7.308 1.00 0.00 N ATOM 217 CZ ARG A 99 59.252 13.610 8.454 1.00 0.00 C ATOM 218 NH1 ARG A 99 59.662 12.347 8.462 1.00 0.00 N ATOM 219 NH2 ARG A 99 59.154 14.274 9.597 1.00 0.00 N ATOM 0 H ARG A 99 56.480 11.637 3.826 1.00 0.00 H new ATOM 0 HA ARG A 99 56.503 9.654 5.646 1.00 0.00 H new ATOM 0 HB2 ARG A 99 57.950 11.322 7.033 1.00 0.00 H new ATOM 0 HB3 ARG A 99 58.476 10.921 5.410 1.00 0.00 H new ATOM 0 HG2 ARG A 99 57.533 13.018 4.544 1.00 0.00 H new ATOM 0 HG3 ARG A 99 56.875 13.407 6.121 1.00 0.00 H new ATOM 0 HD2 ARG A 99 59.807 12.823 6.005 1.00 0.00 H new ATOM 0 HD3 ARG A 99 59.277 14.310 5.244 1.00 0.00 H new ATOM 0 HE ARG A 99 58.629 15.184 7.347 1.00 0.00 H new ATOM 0 HH11 ARG A 99 59.739 11.830 7.586 1.00 0.00 H new ATOM 0 HH12 ARG A 99 59.900 11.893 9.344 1.00 0.00 H new ATOM 0 HH21 ARG A 99 58.840 15.244 9.598 1.00 0.00 H new ATOM 0 HH22 ARG A 99 59.393 13.815 10.476 1.00 0.00 H new ATOM 233 N GLU A 100 54.768 12.161 6.887 1.00 0.00 N ATOM 234 CA GLU A 100 53.850 12.531 7.965 1.00 0.00 C ATOM 235 C GLU A 100 52.563 11.702 7.946 1.00 0.00 C ATOM 236 O GLU A 100 51.698 11.875 8.806 1.00 0.00 O ATOM 237 CB GLU A 100 53.506 14.018 7.871 1.00 0.00 C ATOM 238 CG GLU A 100 52.945 14.597 9.159 1.00 0.00 C ATOM 239 CD GLU A 100 54.030 15.035 10.124 1.00 0.00 C ATOM 240 OE1 GLU A 100 54.768 14.160 10.623 1.00 0.00 O ATOM 241 OE2 GLU A 100 54.142 16.252 10.379 1.00 0.00 O ATOM 0 H GLU A 100 54.866 12.866 6.156 1.00 0.00 H new ATOM 0 HA GLU A 100 54.359 12.324 8.906 1.00 0.00 H new ATOM 0 HB2 GLU A 100 54.402 14.573 7.594 1.00 0.00 H new ATOM 0 HB3 GLU A 100 52.780 14.164 7.071 1.00 0.00 H new ATOM 0 HG2 GLU A 100 52.309 15.450 8.923 1.00 0.00 H new ATOM 0 HG3 GLU A 100 52.313 13.852 9.643 1.00 0.00 H new ATOM 248 N ALA A 101 52.431 10.808 6.971 1.00 0.00 N ATOM 249 CA ALA A 101 51.242 9.970 6.862 1.00 0.00 C ATOM 250 C ALA A 101 51.582 8.483 6.973 1.00 0.00 C ATOM 251 O ALA A 101 50.702 7.657 7.216 1.00 0.00 O ATOM 252 CB ALA A 101 50.526 10.246 5.548 1.00 0.00 C ATOM 0 H ALA A 101 53.131 10.645 6.247 1.00 0.00 H new ATOM 0 HA ALA A 101 50.584 10.221 7.694 1.00 0.00 H new ATOM 0 HB1 ALA A 101 49.640 9.615 5.477 1.00 0.00 H new ATOM 0 HB2 ALA A 101 50.229 11.294 5.508 1.00 0.00 H new ATOM 0 HB3 ALA A 101 51.195 10.027 4.716 1.00 0.00 H new ATOM 258 N PHE A 102 52.855 8.144 6.784 1.00 0.00 N ATOM 259 CA PHE A 102 53.289 6.752 6.854 1.00 0.00 C ATOM 260 C PHE A 102 53.867 6.410 8.225 1.00 0.00 C ATOM 261 O PHE A 102 54.283 7.292 8.976 1.00 0.00 O ATOM 262 CB PHE A 102 54.325 6.467 5.764 1.00 0.00 C ATOM 263 CG PHE A 102 53.755 5.767 4.564 1.00 0.00 C ATOM 264 CD1 PHE A 102 52.843 6.408 3.742 1.00 0.00 C ATOM 265 CD2 PHE A 102 54.129 4.468 4.260 1.00 0.00 C ATOM 266 CE1 PHE A 102 52.315 5.767 2.638 1.00 0.00 C ATOM 267 CE2 PHE A 102 53.605 3.822 3.157 1.00 0.00 C ATOM 268 CZ PHE A 102 52.696 4.473 2.345 1.00 0.00 C ATOM 0 H PHE A 102 53.600 8.811 6.582 1.00 0.00 H new ATOM 0 HA PHE A 102 52.413 6.124 6.695 1.00 0.00 H new ATOM 0 HB2 PHE A 102 54.775 7.408 5.446 1.00 0.00 H new ATOM 0 HB3 PHE A 102 55.125 5.857 6.184 1.00 0.00 H new ATOM 0 HD1 PHE A 102 52.541 7.420 3.967 1.00 0.00 H new ATOM 0 HD2 PHE A 102 54.838 3.955 4.892 1.00 0.00 H new ATOM 0 HE1 PHE A 102 51.605 6.278 2.005 1.00 0.00 H new ATOM 0 HE2 PHE A 102 53.905 2.810 2.930 1.00 0.00 H new ATOM 0 HZ PHE A 102 52.284 3.970 1.482 1.00 0.00 H new ATOM 278 N PHE A 103 53.885 5.115 8.537 1.00 0.00 N ATOM 279 CA PHE A 103 54.405 4.625 9.814 1.00 0.00 C ATOM 280 C PHE A 103 55.729 5.302 10.167 1.00 0.00 C ATOM 281 O PHE A 103 56.735 5.112 9.487 1.00 0.00 O ATOM 282 CB PHE A 103 54.589 3.106 9.749 1.00 0.00 C ATOM 283 CG PHE A 103 54.747 2.447 11.092 1.00 0.00 C ATOM 284 CD1 PHE A 103 55.646 1.406 11.262 1.00 0.00 C ATOM 285 CD2 PHE A 103 53.996 2.863 12.181 1.00 0.00 C ATOM 286 CE1 PHE A 103 55.793 0.792 12.491 1.00 0.00 C ATOM 287 CE2 PHE A 103 54.141 2.253 13.413 1.00 0.00 C ATOM 288 CZ PHE A 103 55.040 1.216 13.568 1.00 0.00 C ATOM 0 H PHE A 103 53.543 4.380 7.918 1.00 0.00 H new ATOM 0 HA PHE A 103 53.685 4.869 10.595 1.00 0.00 H new ATOM 0 HB2 PHE A 103 53.730 2.668 9.241 1.00 0.00 H new ATOM 0 HB3 PHE A 103 55.466 2.883 9.142 1.00 0.00 H new ATOM 0 HD1 PHE A 103 56.239 1.071 10.424 1.00 0.00 H new ATOM 0 HD2 PHE A 103 53.290 3.672 12.065 1.00 0.00 H new ATOM 0 HE1 PHE A 103 56.496 -0.019 12.609 1.00 0.00 H new ATOM 0 HE2 PHE A 103 53.552 2.587 14.254 1.00 0.00 H new ATOM 0 HZ PHE A 103 55.154 0.738 14.530 1.00 0.00 H new ATOM 298 N SER A 104 55.711 6.102 11.229 1.00 0.00 N ATOM 299 CA SER A 104 56.900 6.825 11.672 1.00 0.00 C ATOM 300 C SER A 104 58.041 5.875 12.027 1.00 0.00 C ATOM 301 O SER A 104 59.204 6.155 11.736 1.00 0.00 O ATOM 302 CB SER A 104 56.565 7.703 12.879 1.00 0.00 C ATOM 303 OG SER A 104 57.479 8.779 12.998 1.00 0.00 O ATOM 0 H SER A 104 54.883 6.267 11.801 1.00 0.00 H new ATOM 0 HA SER A 104 57.230 7.452 10.843 1.00 0.00 H new ATOM 0 HB2 SER A 104 55.552 8.092 12.779 1.00 0.00 H new ATOM 0 HB3 SER A 104 56.587 7.101 13.787 1.00 0.00 H new ATOM 0 HG SER A 104 57.242 9.325 13.776 1.00 0.00 H new ATOM 309 N LYS A 105 57.706 4.757 12.666 1.00 0.00 N ATOM 310 CA LYS A 105 58.711 3.774 13.071 1.00 0.00 C ATOM 311 C LYS A 105 59.688 3.470 11.937 1.00 0.00 C ATOM 312 O LYS A 105 60.893 3.683 12.069 1.00 0.00 O ATOM 313 CB LYS A 105 58.037 2.481 13.528 1.00 0.00 C ATOM 314 CG LYS A 105 58.729 1.817 14.708 1.00 0.00 C ATOM 315 CD LYS A 105 58.380 2.501 16.022 1.00 0.00 C ATOM 316 CE LYS A 105 57.792 1.520 17.025 1.00 0.00 C ATOM 317 NZ LYS A 105 56.737 2.151 17.865 1.00 0.00 N ATOM 0 H LYS A 105 56.749 4.508 12.915 1.00 0.00 H new ATOM 0 HA LYS A 105 59.273 4.204 13.900 1.00 0.00 H new ATOM 0 HB2 LYS A 105 57.003 2.696 13.798 1.00 0.00 H new ATOM 0 HB3 LYS A 105 58.009 1.781 12.693 1.00 0.00 H new ATOM 0 HG2 LYS A 105 58.440 0.767 14.756 1.00 0.00 H new ATOM 0 HG3 LYS A 105 59.808 1.844 14.559 1.00 0.00 H new ATOM 0 HD2 LYS A 105 59.275 2.960 16.443 1.00 0.00 H new ATOM 0 HD3 LYS A 105 57.667 3.304 15.837 1.00 0.00 H new ATOM 0 HE2 LYS A 105 57.371 0.666 16.494 1.00 0.00 H new ATOM 0 HE3 LYS A 105 58.586 1.137 17.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 56.362 1.450 18.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 57.144 2.950 18.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 55.967 2.494 17.256 1.00 0.00 H new ATOM 331 N THR A 106 59.161 2.968 10.825 1.00 0.00 N ATOM 332 CA THR A 106 59.990 2.632 9.671 1.00 0.00 C ATOM 333 C THR A 106 59.798 3.646 8.550 1.00 0.00 C ATOM 334 O THR A 106 60.767 4.200 8.030 1.00 0.00 O ATOM 335 CB THR A 106 59.652 1.228 9.167 1.00 0.00 C ATOM 336 OG1 THR A 106 58.253 1.074 9.012 1.00 0.00 O ATOM 337 CG2 THR A 106 60.136 0.130 10.087 1.00 0.00 C ATOM 0 H THR A 106 58.166 2.785 10.698 1.00 0.00 H new ATOM 0 HA THR A 106 61.034 2.657 9.985 1.00 0.00 H new ATOM 0 HB THR A 106 60.168 1.132 8.211 1.00 0.00 H new ATOM 0 HG1 THR A 106 58.057 0.170 8.688 1.00 0.00 H new ATOM 0 HG21 THR A 106 59.864 -0.840 9.671 1.00 0.00 H new ATOM 0 HG22 THR A 106 61.220 0.191 10.187 1.00 0.00 H new ATOM 0 HG23 THR A 106 59.674 0.247 11.067 1.00 0.00 H new ATOM 345 N LYS A 107 58.538 3.879 8.182 1.00 0.00 N ATOM 346 CA LYS A 107 58.188 4.824 7.117 1.00 0.00 C ATOM 347 C LYS A 107 58.266 4.167 5.738 1.00 0.00 C ATOM 348 O LYS A 107 57.628 4.625 4.791 1.00 0.00 O ATOM 349 CB LYS A 107 59.091 6.064 7.162 1.00 0.00 C ATOM 350 CG LYS A 107 58.336 7.373 6.989 1.00 0.00 C ATOM 351 CD LYS A 107 57.683 7.819 8.289 1.00 0.00 C ATOM 352 CE LYS A 107 58.389 9.025 8.887 1.00 0.00 C ATOM 353 NZ LYS A 107 59.819 8.740 9.187 1.00 0.00 N ATOM 0 H LYS A 107 57.733 3.421 8.610 1.00 0.00 H new ATOM 0 HA LYS A 107 57.158 5.136 7.288 1.00 0.00 H new ATOM 0 HB2 LYS A 107 59.621 6.083 8.114 1.00 0.00 H new ATOM 0 HB3 LYS A 107 59.845 5.983 6.379 1.00 0.00 H new ATOM 0 HG2 LYS A 107 59.022 8.146 6.642 1.00 0.00 H new ATOM 0 HG3 LYS A 107 57.573 7.255 6.220 1.00 0.00 H new ATOM 0 HD2 LYS A 107 56.637 8.064 8.106 1.00 0.00 H new ATOM 0 HD3 LYS A 107 57.698 6.997 9.005 1.00 0.00 H new ATOM 0 HE2 LYS A 107 58.324 9.864 8.194 1.00 0.00 H new ATOM 0 HE3 LYS A 107 57.879 9.327 9.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 60.233 9.544 9.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 59.887 7.883 9.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 60.338 8.593 8.298 1.00 0.00 H new ATOM 367 N ARG A 108 59.046 3.093 5.627 1.00 0.00 N ATOM 368 CA ARG A 108 59.194 2.386 4.359 1.00 0.00 C ATOM 369 C ARG A 108 57.952 1.553 4.051 1.00 0.00 C ATOM 370 O ARG A 108 57.630 1.312 2.888 1.00 0.00 O ATOM 371 CB ARG A 108 60.436 1.491 4.393 1.00 0.00 C ATOM 372 CG ARG A 108 61.666 2.136 3.774 1.00 0.00 C ATOM 373 CD ARG A 108 62.935 1.753 4.519 1.00 0.00 C ATOM 374 NE ARG A 108 63.130 2.560 5.721 1.00 0.00 N ATOM 375 CZ ARG A 108 64.309 2.736 6.314 1.00 0.00 C ATOM 376 NH1 ARG A 108 65.400 2.161 5.823 1.00 0.00 N ATOM 377 NH2 ARG A 108 64.395 3.489 7.402 1.00 0.00 N ATOM 0 H ARG A 108 59.583 2.695 6.398 1.00 0.00 H new ATOM 0 HA ARG A 108 59.313 3.127 3.568 1.00 0.00 H new ATOM 0 HB2 ARG A 108 60.656 1.227 5.428 1.00 0.00 H new ATOM 0 HB3 ARG A 108 60.219 0.562 3.866 1.00 0.00 H new ATOM 0 HG2 ARG A 108 61.750 1.832 2.731 1.00 0.00 H new ATOM 0 HG3 ARG A 108 61.552 3.220 3.782 1.00 0.00 H new ATOM 0 HD2 ARG A 108 62.890 0.699 4.794 1.00 0.00 H new ATOM 0 HD3 ARG A 108 63.793 1.874 3.858 1.00 0.00 H new ATOM 0 HE ARG A 108 62.314 3.016 6.130 1.00 0.00 H new ATOM 0 HH11 ARG A 108 65.338 1.580 4.987 1.00 0.00 H new ATOM 0 HH12 ARG A 108 66.300 2.300 6.282 1.00 0.00 H new ATOM 0 HH21 ARG A 108 63.559 3.932 7.783 1.00 0.00 H new ATOM 0 HH22 ARG A 108 65.297 3.625 7.858 1.00 0.00 H new ATOM 391 N PHE A 109 57.255 1.123 5.099 1.00 0.00 N ATOM 392 CA PHE A 109 56.044 0.325 4.938 1.00 0.00 C ATOM 393 C PHE A 109 54.845 1.044 5.553 1.00 0.00 C ATOM 394 O PHE A 109 54.947 1.627 6.633 1.00 0.00 O ATOM 395 CB PHE A 109 56.223 -1.052 5.580 1.00 0.00 C ATOM 396 CG PHE A 109 57.489 -1.747 5.163 1.00 0.00 C ATOM 397 CD1 PHE A 109 58.672 -1.524 5.848 1.00 0.00 C ATOM 398 CD2 PHE A 109 57.496 -2.625 4.087 1.00 0.00 C ATOM 399 CE1 PHE A 109 59.839 -2.162 5.471 1.00 0.00 C ATOM 400 CE2 PHE A 109 58.661 -3.265 3.707 1.00 0.00 C ATOM 401 CZ PHE A 109 59.833 -3.034 4.400 1.00 0.00 C ATOM 0 H PHE A 109 57.508 1.314 6.068 1.00 0.00 H new ATOM 0 HA PHE A 109 55.859 0.191 3.872 1.00 0.00 H new ATOM 0 HB2 PHE A 109 56.218 -0.942 6.664 1.00 0.00 H new ATOM 0 HB3 PHE A 109 55.371 -1.679 5.320 1.00 0.00 H new ATOM 0 HD1 PHE A 109 58.683 -0.844 6.687 1.00 0.00 H new ATOM 0 HD2 PHE A 109 56.582 -2.810 3.542 1.00 0.00 H new ATOM 0 HE1 PHE A 109 60.755 -1.979 6.014 1.00 0.00 H new ATOM 0 HE2 PHE A 109 58.655 -3.945 2.868 1.00 0.00 H new ATOM 0 HZ PHE A 109 60.743 -3.534 4.105 1.00 0.00 H new ATOM 411 N CYS A 110 53.718 1.017 4.849 1.00 0.00 N ATOM 412 CA CYS A 110 52.500 1.682 5.302 1.00 0.00 C ATOM 413 C CYS A 110 52.034 1.192 6.675 1.00 0.00 C ATOM 414 O CYS A 110 51.189 1.828 7.304 1.00 0.00 O ATOM 415 CB CYS A 110 51.385 1.472 4.270 1.00 0.00 C ATOM 416 SG CYS A 110 50.825 -0.242 4.119 1.00 0.00 S ATOM 0 H CYS A 110 53.622 0.537 3.954 1.00 0.00 H new ATOM 0 HA CYS A 110 52.729 2.743 5.402 1.00 0.00 H new ATOM 0 HB2 CYS A 110 50.534 2.098 4.539 1.00 0.00 H new ATOM 0 HB3 CYS A 110 51.737 1.814 3.297 1.00 0.00 H new ATOM 421 N SER A 111 52.564 0.062 7.138 1.00 0.00 N ATOM 422 CA SER A 111 52.158 -0.478 8.434 1.00 0.00 C ATOM 423 C SER A 111 53.264 -1.305 9.080 1.00 0.00 C ATOM 424 O SER A 111 54.117 -1.867 8.395 1.00 0.00 O ATOM 425 CB SER A 111 50.912 -1.349 8.269 1.00 0.00 C ATOM 426 OG SER A 111 51.266 -2.683 7.934 1.00 0.00 O ATOM 0 H SER A 111 53.265 -0.491 6.644 1.00 0.00 H new ATOM 0 HA SER A 111 51.943 0.369 9.085 1.00 0.00 H new ATOM 0 HB2 SER A 111 50.334 -1.343 9.193 1.00 0.00 H new ATOM 0 HB3 SER A 111 50.273 -0.932 7.491 1.00 0.00 H new ATOM 0 HG SER A 111 50.772 -3.306 8.507 1.00 0.00 H new ATOM 432 N VAL A 112 53.226 -1.393 10.408 1.00 0.00 N ATOM 433 CA VAL A 112 54.209 -2.173 11.145 1.00 0.00 C ATOM 434 C VAL A 112 54.098 -3.644 10.766 1.00 0.00 C ATOM 435 O VAL A 112 55.100 -4.356 10.675 1.00 0.00 O ATOM 436 CB VAL A 112 54.027 -2.024 12.669 1.00 0.00 C ATOM 437 CG1 VAL A 112 52.657 -2.527 13.101 1.00 0.00 C ATOM 438 CG2 VAL A 112 55.133 -2.758 13.412 1.00 0.00 C ATOM 0 H VAL A 112 52.526 -0.934 10.991 1.00 0.00 H new ATOM 0 HA VAL A 112 55.196 -1.794 10.880 1.00 0.00 H new ATOM 0 HB VAL A 112 54.091 -0.965 12.920 1.00 0.00 H new ATOM 0 HG11 VAL A 112 52.551 -2.412 14.180 1.00 0.00 H new ATOM 0 HG12 VAL A 112 51.882 -1.950 12.597 1.00 0.00 H new ATOM 0 HG13 VAL A 112 52.556 -3.580 12.836 1.00 0.00 H new ATOM 0 HG21 VAL A 112 54.989 -2.642 14.486 1.00 0.00 H new ATOM 0 HG22 VAL A 112 55.104 -3.817 13.154 1.00 0.00 H new ATOM 0 HG23 VAL A 112 56.100 -2.342 13.129 1.00 0.00 H new ATOM 448 N SER A 113 52.865 -4.089 10.526 1.00 0.00 N ATOM 449 CA SER A 113 52.620 -5.469 10.134 1.00 0.00 C ATOM 450 C SER A 113 53.397 -5.785 8.865 1.00 0.00 C ATOM 451 O SER A 113 53.959 -6.870 8.723 1.00 0.00 O ATOM 452 CB SER A 113 51.124 -5.710 9.916 1.00 0.00 C ATOM 453 OG SER A 113 50.595 -4.812 8.957 1.00 0.00 O ATOM 0 H SER A 113 52.026 -3.514 10.597 1.00 0.00 H new ATOM 0 HA SER A 113 52.957 -6.128 10.934 1.00 0.00 H new ATOM 0 HB2 SER A 113 50.963 -6.736 9.585 1.00 0.00 H new ATOM 0 HB3 SER A 113 50.593 -5.592 10.860 1.00 0.00 H new ATOM 0 HG SER A 113 49.639 -4.989 8.836 1.00 0.00 H new ATOM 459 N CYS A 114 53.443 -4.817 7.954 1.00 0.00 N ATOM 460 CA CYS A 114 54.177 -4.984 6.706 1.00 0.00 C ATOM 461 C CYS A 114 55.657 -5.224 6.989 1.00 0.00 C ATOM 462 O CYS A 114 56.368 -5.819 6.180 1.00 0.00 O ATOM 463 CB CYS A 114 54.012 -3.749 5.819 1.00 0.00 C ATOM 464 SG CYS A 114 52.488 -3.733 4.849 1.00 0.00 S ATOM 0 H CYS A 114 52.982 -3.913 8.057 1.00 0.00 H new ATOM 0 HA CYS A 114 53.771 -5.850 6.183 1.00 0.00 H new ATOM 0 HB2 CYS A 114 54.039 -2.858 6.447 1.00 0.00 H new ATOM 0 HB3 CYS A 114 54.862 -3.687 5.140 1.00 0.00 H new ATOM 469 N SER A 115 56.112 -4.759 8.150 1.00 0.00 N ATOM 470 CA SER A 115 57.503 -4.924 8.552 1.00 0.00 C ATOM 471 C SER A 115 57.745 -6.334 9.081 1.00 0.00 C ATOM 472 O SER A 115 58.657 -7.034 8.630 1.00 0.00 O ATOM 473 CB SER A 115 57.873 -3.892 9.619 1.00 0.00 C ATOM 474 OG SER A 115 59.154 -3.338 9.374 1.00 0.00 O ATOM 0 H SER A 115 55.534 -4.264 8.829 1.00 0.00 H new ATOM 0 HA SER A 115 58.134 -4.768 7.677 1.00 0.00 H new ATOM 0 HB2 SER A 115 57.127 -3.097 9.634 1.00 0.00 H new ATOM 0 HB3 SER A 115 57.859 -4.361 10.603 1.00 0.00 H new ATOM 0 HG SER A 115 59.502 -2.940 10.199 1.00 0.00 H new ATOM 480 N ARG A 116 56.904 -6.760 10.020 1.00 0.00 N ATOM 481 CA ARG A 116 57.019 -8.099 10.586 1.00 0.00 C ATOM 482 C ARG A 116 56.614 -9.147 9.554 1.00 0.00 C ATOM 483 O ARG A 116 56.942 -10.326 9.688 1.00 0.00 O ATOM 484 CB ARG A 116 56.147 -8.229 11.838 1.00 0.00 C ATOM 485 CG ARG A 116 54.660 -8.079 11.564 1.00 0.00 C ATOM 486 CD ARG A 116 53.851 -9.167 12.252 1.00 0.00 C ATOM 487 NE ARG A 116 53.836 -9.005 13.705 1.00 0.00 N ATOM 488 CZ ARG A 116 53.095 -8.101 14.342 1.00 0.00 C ATOM 489 NH1 ARG A 116 52.306 -7.280 13.661 1.00 0.00 N ATOM 490 NH2 ARG A 116 53.141 -8.019 15.665 1.00 0.00 N ATOM 0 H ARG A 116 56.141 -6.201 10.402 1.00 0.00 H new ATOM 0 HA ARG A 116 58.059 -8.266 10.867 1.00 0.00 H new ATOM 0 HB2 ARG A 116 56.327 -9.202 12.296 1.00 0.00 H new ATOM 0 HB3 ARG A 116 56.452 -7.474 12.563 1.00 0.00 H new ATOM 0 HG2 ARG A 116 54.323 -7.101 11.909 1.00 0.00 H new ATOM 0 HG3 ARG A 116 54.482 -8.117 10.489 1.00 0.00 H new ATOM 0 HD2 ARG A 116 52.828 -9.151 11.875 1.00 0.00 H new ATOM 0 HD3 ARG A 116 54.268 -10.142 12.001 1.00 0.00 H new ATOM 0 HE ARG A 116 54.428 -9.620 14.263 1.00 0.00 H new ATOM 0 HH11 ARG A 116 52.265 -7.339 12.644 1.00 0.00 H new ATOM 0 HH12 ARG A 116 51.741 -6.589 14.155 1.00 0.00 H new ATOM 0 HH21 ARG A 116 53.744 -8.649 16.194 1.00 0.00 H new ATOM 0 HH22 ARG A 116 52.573 -7.326 16.153 1.00 0.00 H new ATOM 504 N SER A 117 55.909 -8.703 8.516 1.00 0.00 N ATOM 505 CA SER A 117 55.469 -9.592 7.450 1.00 0.00 C ATOM 506 C SER A 117 56.581 -9.774 6.427 1.00 0.00 C ATOM 507 O SER A 117 56.928 -10.897 6.065 1.00 0.00 O ATOM 508 CB SER A 117 54.219 -9.032 6.769 1.00 0.00 C ATOM 509 OG SER A 117 53.041 -9.474 7.423 1.00 0.00 O ATOM 0 H SER A 117 55.631 -7.729 8.393 1.00 0.00 H new ATOM 0 HA SER A 117 55.225 -10.561 7.886 1.00 0.00 H new ATOM 0 HB2 SER A 117 54.255 -7.943 6.775 1.00 0.00 H new ATOM 0 HB3 SER A 117 54.199 -9.345 5.725 1.00 0.00 H new ATOM 0 HG SER A 117 52.814 -8.851 8.144 1.00 0.00 H new ATOM 515 N TYR A 118 57.145 -8.659 5.973 1.00 0.00 N ATOM 516 CA TYR A 118 58.229 -8.681 4.999 1.00 0.00 C ATOM 517 C TYR A 118 59.489 -9.295 5.602 1.00 0.00 C ATOM 518 O TYR A 118 60.343 -9.817 4.886 1.00 0.00 O ATOM 519 CB TYR A 118 58.520 -7.251 4.540 1.00 0.00 C ATOM 520 CG TYR A 118 59.046 -7.143 3.129 1.00 0.00 C ATOM 521 CD1 TYR A 118 58.305 -6.502 2.146 1.00 0.00 C ATOM 522 CD2 TYR A 118 60.284 -7.667 2.782 1.00 0.00 C ATOM 523 CE1 TYR A 118 58.779 -6.386 0.855 1.00 0.00 C ATOM 524 CE2 TYR A 118 60.767 -7.558 1.492 1.00 0.00 C ATOM 525 CZ TYR A 118 60.011 -6.917 0.532 1.00 0.00 C ATOM 526 OH TYR A 118 60.490 -6.803 -0.753 1.00 0.00 O ATOM 0 H TYR A 118 56.866 -7.723 6.267 1.00 0.00 H new ATOM 0 HA TYR A 118 57.926 -9.291 4.148 1.00 0.00 H new ATOM 0 HB2 TYR A 118 57.605 -6.664 4.620 1.00 0.00 H new ATOM 0 HB3 TYR A 118 59.245 -6.805 5.220 1.00 0.00 H new ATOM 0 HD1 TYR A 118 57.340 -6.086 2.396 1.00 0.00 H new ATOM 0 HD2 TYR A 118 60.879 -8.167 3.532 1.00 0.00 H new ATOM 0 HE1 TYR A 118 58.190 -5.883 0.103 1.00 0.00 H new ATOM 0 HE2 TYR A 118 61.731 -7.972 1.236 1.00 0.00 H new ATOM 0 HH TYR A 118 61.371 -7.229 -0.813 1.00 0.00 H new ATOM 536 N SER A 119 59.589 -9.239 6.927 1.00 0.00 N ATOM 537 CA SER A 119 60.736 -9.799 7.628 1.00 0.00 C ATOM 538 C SER A 119 60.510 -11.272 7.953 1.00 0.00 C ATOM 539 O SER A 119 61.369 -12.118 7.699 1.00 0.00 O ATOM 540 CB SER A 119 61.008 -9.013 8.910 1.00 0.00 C ATOM 541 OG SER A 119 61.852 -9.739 9.786 1.00 0.00 O ATOM 0 H SER A 119 58.890 -8.812 7.534 1.00 0.00 H new ATOM 0 HA SER A 119 61.605 -9.722 6.974 1.00 0.00 H new ATOM 0 HB2 SER A 119 61.471 -8.058 8.663 1.00 0.00 H new ATOM 0 HB3 SER A 119 60.065 -8.790 9.410 1.00 0.00 H new ATOM 0 HG SER A 119 62.011 -9.213 10.597 1.00 0.00 H new ATOM 547 N SER A 120 59.353 -11.563 8.531 1.00 0.00 N ATOM 548 CA SER A 120 59.003 -12.928 8.915 1.00 0.00 C ATOM 549 C SER A 120 58.556 -13.763 7.716 1.00 0.00 C ATOM 550 O SER A 120 59.135 -14.811 7.432 1.00 0.00 O ATOM 551 CB SER A 120 57.898 -12.910 9.973 1.00 0.00 C ATOM 552 OG SER A 120 57.933 -14.083 10.767 1.00 0.00 O ATOM 0 H SER A 120 58.636 -10.870 8.746 1.00 0.00 H new ATOM 0 HA SER A 120 59.900 -13.391 9.327 1.00 0.00 H new ATOM 0 HB2 SER A 120 58.014 -12.033 10.609 1.00 0.00 H new ATOM 0 HB3 SER A 120 56.926 -12.825 9.487 1.00 0.00 H new ATOM 0 HG SER A 120 57.218 -14.046 11.436 1.00 0.00 H new ATOM 558 N ASN A 121 57.512 -13.307 7.029 1.00 0.00 N ATOM 559 CA ASN A 121 56.980 -14.033 5.878 1.00 0.00 C ATOM 560 C ASN A 121 57.591 -13.544 4.563 1.00 0.00 C ATOM 561 O ASN A 121 58.512 -14.164 4.031 1.00 0.00 O ATOM 562 CB ASN A 121 55.455 -13.905 5.831 1.00 0.00 C ATOM 563 CG ASN A 121 54.844 -14.660 4.666 1.00 0.00 C ATOM 564 OD1 ASN A 121 54.600 -15.864 4.751 1.00 0.00 O ATOM 565 ND2 ASN A 121 54.596 -13.955 3.569 1.00 0.00 N ATOM 0 H ASN A 121 57.019 -12.441 7.248 1.00 0.00 H new ATOM 0 HA ASN A 121 57.251 -15.082 5.997 1.00 0.00 H new ATOM 0 HB2 ASN A 121 55.033 -14.280 6.764 1.00 0.00 H new ATOM 0 HB3 ASN A 121 55.184 -12.852 5.759 1.00 0.00 H new ATOM 0 HD21 ASN A 121 54.187 -14.409 2.752 1.00 0.00 H new ATOM 0 HD22 ASN A 121 54.814 -12.959 3.543 1.00 0.00 H new ATOM 572 N SER A 122 57.069 -12.435 4.039 1.00 0.00 N ATOM 573 CA SER A 122 57.557 -11.866 2.782 1.00 0.00 C ATOM 574 C SER A 122 56.600 -10.792 2.272 1.00 0.00 C ATOM 575 O SER A 122 55.643 -10.428 2.956 1.00 0.00 O ATOM 576 CB SER A 122 57.721 -12.960 1.720 1.00 0.00 C ATOM 577 OG SER A 122 56.863 -14.058 1.979 1.00 0.00 O ATOM 0 H SER A 122 56.306 -11.911 4.467 1.00 0.00 H new ATOM 0 HA SER A 122 58.529 -11.412 2.973 1.00 0.00 H new ATOM 0 HB2 SER A 122 57.503 -12.549 0.734 1.00 0.00 H new ATOM 0 HB3 SER A 122 58.756 -13.300 1.702 1.00 0.00 H new ATOM 0 HG SER A 122 56.987 -14.740 1.287 1.00 0.00 H new ATOM 583 N LYS A 123 56.859 -10.287 1.068 1.00 0.00 N ATOM 584 CA LYS A 123 56.012 -9.257 0.477 1.00 0.00 C ATOM 585 C LYS A 123 54.587 -9.776 0.276 1.00 0.00 C ATOM 586 O LYS A 123 53.740 -9.632 1.156 1.00 0.00 O ATOM 587 CB LYS A 123 56.604 -8.771 -0.853 1.00 0.00 C ATOM 588 CG LYS A 123 55.695 -7.822 -1.620 1.00 0.00 C ATOM 589 CD LYS A 123 56.495 -6.778 -2.383 1.00 0.00 C ATOM 590 CE LYS A 123 56.766 -7.218 -3.812 1.00 0.00 C ATOM 591 NZ LYS A 123 55.738 -6.700 -4.758 1.00 0.00 N ATOM 0 H LYS A 123 57.646 -10.574 0.485 1.00 0.00 H new ATOM 0 HA LYS A 123 55.971 -8.412 1.164 1.00 0.00 H new ATOM 0 HB2 LYS A 123 57.553 -8.271 -0.657 1.00 0.00 H new ATOM 0 HB3 LYS A 123 56.823 -9.635 -1.480 1.00 0.00 H new ATOM 0 HG2 LYS A 123 55.079 -8.390 -2.317 1.00 0.00 H new ATOM 0 HG3 LYS A 123 55.016 -7.326 -0.926 1.00 0.00 H new ATOM 0 HD2 LYS A 123 55.950 -5.834 -2.389 1.00 0.00 H new ATOM 0 HD3 LYS A 123 57.440 -6.597 -1.871 1.00 0.00 H new ATOM 0 HE2 LYS A 123 57.751 -6.867 -4.119 1.00 0.00 H new ATOM 0 HE3 LYS A 123 56.786 -8.307 -3.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 55.959 -7.022 -5.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 54.801 -7.055 -4.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 55.736 -5.660 -4.733 1.00 0.00 H new ATOM 605 N LYS A 124 54.325 -10.378 -0.881 1.00 0.00 N ATOM 606 CA LYS A 124 52.999 -10.910 -1.179 1.00 0.00 C ATOM 607 C LYS A 124 51.955 -9.798 -1.185 1.00 0.00 C ATOM 608 O LYS A 124 51.576 -9.337 -0.087 1.00 0.00 O ATOM 609 CB LYS A 124 52.616 -11.985 -0.158 1.00 0.00 C ATOM 610 CG LYS A 124 52.704 -13.401 -0.707 1.00 0.00 C ATOM 611 CD LYS A 124 53.739 -14.232 0.038 1.00 0.00 C ATOM 612 CE LYS A 124 53.198 -15.608 0.395 1.00 0.00 C ATOM 613 NZ LYS A 124 54.239 -16.664 0.264 1.00 0.00 N ATOM 614 OXT LYS A 124 51.525 -9.395 -2.286 1.00 0.00 O ATOM 0 H LYS A 124 55.011 -10.509 -1.625 1.00 0.00 H new ATOM 0 HA LYS A 124 53.029 -11.358 -2.172 1.00 0.00 H new ATOM 0 HB2 LYS A 124 53.269 -11.899 0.711 1.00 0.00 H new ATOM 0 HB3 LYS A 124 51.599 -11.800 0.188 1.00 0.00 H new ATOM 0 HG2 LYS A 124 51.729 -13.882 -0.631 1.00 0.00 H new ATOM 0 HG3 LYS A 124 52.960 -13.365 -1.766 1.00 0.00 H new ATOM 0 HD2 LYS A 124 54.632 -14.340 -0.578 1.00 0.00 H new ATOM 0 HD3 LYS A 124 54.039 -13.711 0.947 1.00 0.00 H new ATOM 0 HE2 LYS A 124 52.820 -15.596 1.417 1.00 0.00 H new ATOM 0 HE3 LYS A 124 52.355 -15.846 -0.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 53.831 -17.587 0.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 54.582 -16.693 -0.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 55.032 -16.450 0.902 1.00 0.00 H new TER 628 LYS A 124 HETATM 629 ZN ZN A 125 51.966 -2.087 3.335 1.00 0.00 ZN