USER MOD reduce.3.24.130724 H: found=0, std=0, add=240, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 237 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 1 GLU N :NH3+ -168:sc= 0.452 (180deg=0.162) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= -0.0187 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.205 X(o=-0.2,f=-0.036) USER MOD Single : A 20 SER OG : rot -100:sc= -0.105 USER MOD Single : A 23 SER OG : rot 180:sc= 0.0448 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0301 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 1.329 0.000 0.000 1.00 4.00 N ATOM 2 CA GLU A 1 2.093 -0.001 -1.242 1.00 74.25 C ATOM 3 C GLU A 1 3.470 -0.624 -1.034 1.00 60.23 C ATOM 4 O GLU A 1 3.902 -0.839 0.099 1.00 61.04 O ATOM 5 CB GLU A 1 2.241 1.425 -1.777 1.00 62.21 C ATOM 6 CG GLU A 1 0.987 1.956 -2.450 1.00 50.23 C ATOM 7 CD GLU A 1 -0.124 2.253 -1.462 1.00 74.12 C ATOM 8 OE1 GLU A 1 -0.869 1.316 -1.107 1.00 73.23 O ATOM 9 OE2 GLU A 1 -0.248 3.423 -1.044 1.00 15.13 O ATOM 0 H1 GLU A 1 0.337 0.236 -0.203 1.00 4.00 H new ATOM 0 H2 GLU A 1 1.378 -0.942 0.439 1.00 4.00 H new ATOM 0 H3 GLU A 1 1.726 0.707 0.651 1.00 4.00 H new ATOM 0 HA GLU A 1 1.549 -0.601 -1.972 1.00 74.25 H new ATOM 0 HB2 GLU A 1 2.509 2.087 -0.954 1.00 62.21 H new ATOM 0 HB3 GLU A 1 3.065 1.453 -2.490 1.00 62.21 H new ATOM 0 HG2 GLU A 1 1.231 2.865 -3.000 1.00 50.23 H new ATOM 0 HG3 GLU A 1 0.634 1.227 -3.179 1.00 50.23 H new ATOM 16 N CYS A 2 4.155 -0.913 -2.136 1.00 11.31 N ATOM 17 CA CYS A 2 5.483 -1.512 -2.077 1.00 14.15 C ATOM 18 C CYS A 2 6.504 -0.643 -2.805 1.00 24.34 C ATOM 19 O CYS A 2 6.186 0.004 -3.802 1.00 14.42 O ATOM 20 CB CYS A 2 5.460 -2.914 -2.689 1.00 2.23 C ATOM 21 SG CYS A 2 4.091 -3.961 -2.099 1.00 23.03 S ATOM 0 H CYS A 2 3.812 -0.742 -3.081 1.00 11.31 H new ATOM 0 HA CYS A 2 5.776 -1.585 -1.030 1.00 14.15 H new ATOM 0 HB2 CYS A 2 5.393 -2.824 -3.773 1.00 2.23 H new ATOM 0 HB3 CYS A 2 6.405 -3.411 -2.468 1.00 2.23 H new ATOM 26 N ARG A 3 7.733 -0.635 -2.299 1.00 24.42 N ATOM 27 CA ARG A 3 8.802 0.154 -2.900 1.00 31.32 C ATOM 28 C ARG A 3 10.100 -0.646 -2.961 1.00 71.12 C ATOM 29 O ARG A 3 10.186 -1.752 -2.426 1.00 12.52 O ATOM 30 CB ARG A 3 9.022 1.443 -2.106 1.00 34.45 C ATOM 31 CG ARG A 3 7.731 2.120 -1.675 1.00 31.14 C ATOM 32 CD ARG A 3 7.823 3.632 -1.810 1.00 71.34 C ATOM 33 NE ARG A 3 6.820 4.316 -0.999 1.00 4.25 N ATOM 34 CZ ARG A 3 5.533 4.377 -1.318 1.00 54.33 C ATOM 35 NH1 ARG A 3 5.093 3.798 -2.427 1.00 21.43 N ATOM 36 NH2 ARG A 3 4.681 5.019 -0.528 1.00 63.12 N ATOM 0 H ARG A 3 8.013 -1.166 -1.474 1.00 24.42 H new ATOM 0 HA ARG A 3 8.504 0.408 -3.917 1.00 31.32 H new ATOM 0 HB2 ARG A 3 9.617 1.218 -1.221 1.00 34.45 H new ATOM 0 HB3 ARG A 3 9.602 2.139 -2.712 1.00 34.45 H new ATOM 0 HG2 ARG A 3 6.904 1.749 -2.281 1.00 31.14 H new ATOM 0 HG3 ARG A 3 7.510 1.859 -0.640 1.00 31.14 H new ATOM 0 HD2 ARG A 3 8.818 3.963 -1.511 1.00 71.34 H new ATOM 0 HD3 ARG A 3 7.695 3.911 -2.856 1.00 71.34 H new ATOM 0 HE ARG A 3 7.125 4.772 -0.139 1.00 4.25 H new ATOM 0 HH11 ARG A 3 5.744 3.304 -3.037 1.00 21.43 H new ATOM 0 HH12 ARG A 3 4.103 3.846 -2.670 1.00 21.43 H new ATOM 0 HH21 ARG A 3 5.015 5.466 0.326 1.00 63.12 H new ATOM 0 HH22 ARG A 3 3.692 5.065 -0.775 1.00 63.12 H new ATOM 50 N TYR A 4 11.107 -0.080 -3.617 1.00 74.35 N ATOM 51 CA TYR A 4 12.399 -0.742 -3.752 1.00 2.54 C ATOM 52 C TYR A 4 13.333 -0.349 -2.611 1.00 1.31 C ATOM 53 O TYR A 4 12.939 0.366 -1.688 1.00 44.45 O ATOM 54 CB TYR A 4 13.040 -0.388 -5.095 1.00 12.42 C ATOM 55 CG TYR A 4 12.736 1.019 -5.559 1.00 12.03 C ATOM 56 CD1 TYR A 4 13.505 2.094 -5.131 1.00 15.33 C ATOM 57 CD2 TYR A 4 11.680 1.273 -6.426 1.00 22.50 C ATOM 58 CE1 TYR A 4 13.230 3.381 -5.551 1.00 52.14 C ATOM 59 CE2 TYR A 4 11.399 2.556 -6.853 1.00 60.11 C ATOM 60 CZ TYR A 4 12.176 3.607 -6.413 1.00 23.23 C ATOM 61 OH TYR A 4 11.900 4.887 -6.835 1.00 63.02 O ATOM 0 H TYR A 4 11.053 0.836 -4.063 1.00 74.35 H new ATOM 0 HA TYR A 4 12.234 -1.819 -3.709 1.00 2.54 H new ATOM 0 HB2 TYR A 4 14.120 -0.510 -5.016 1.00 12.42 H new ATOM 0 HB3 TYR A 4 12.694 -1.093 -5.850 1.00 12.42 H new ATOM 0 HD1 TYR A 4 14.332 1.921 -4.458 1.00 15.33 H new ATOM 0 HD2 TYR A 4 11.068 0.453 -6.772 1.00 22.50 H new ATOM 0 HE1 TYR A 4 13.836 4.206 -5.207 1.00 52.14 H new ATOM 0 HE2 TYR A 4 10.575 2.735 -7.528 1.00 60.11 H new ATOM 0 HH TYR A 4 11.128 4.873 -7.439 1.00 63.02 H new ATOM 71 N LEU A 5 14.573 -0.821 -2.681 1.00 52.10 N ATOM 72 CA LEU A 5 15.565 -0.520 -1.655 1.00 44.53 C ATOM 73 C LEU A 5 15.643 0.982 -1.397 1.00 70.21 C ATOM 74 O LEU A 5 15.608 1.428 -0.250 1.00 30.41 O ATOM 75 CB LEU A 5 16.938 -1.048 -2.075 1.00 41.13 C ATOM 76 CG LEU A 5 17.937 -1.296 -0.944 1.00 53.41 C ATOM 77 CD1 LEU A 5 19.104 -2.137 -1.437 1.00 51.32 C ATOM 78 CD2 LEU A 5 18.432 0.024 -0.372 1.00 4.33 C ATOM 0 H LEU A 5 14.915 -1.414 -3.437 1.00 52.10 H new ATOM 0 HA LEU A 5 15.259 -1.013 -0.733 1.00 44.53 H new ATOM 0 HB2 LEU A 5 16.795 -1.982 -2.618 1.00 41.13 H new ATOM 0 HB3 LEU A 5 17.380 -0.338 -2.774 1.00 41.13 H new ATOM 0 HG LEU A 5 17.430 -1.846 -0.151 1.00 53.41 H new ATOM 0 HD11 LEU A 5 19.804 -2.303 -0.618 1.00 51.32 H new ATOM 0 HD12 LEU A 5 18.734 -3.097 -1.798 1.00 51.32 H new ATOM 0 HD13 LEU A 5 19.611 -1.615 -2.248 1.00 51.32 H new ATOM 0 HD21 LEU A 5 19.142 -0.171 0.432 1.00 4.33 H new ATOM 0 HD22 LEU A 5 18.922 0.600 -1.157 1.00 4.33 H new ATOM 0 HD23 LEU A 5 17.587 0.590 0.020 1.00 4.33 H new ATOM 90 N PHE A 6 15.746 1.757 -2.471 1.00 45.23 N ATOM 91 CA PHE A 6 15.828 3.209 -2.361 1.00 54.03 C ATOM 92 C PHE A 6 14.452 3.812 -2.093 1.00 73.22 C ATOM 93 O PHE A 6 14.331 4.995 -1.777 1.00 71.41 O ATOM 94 CB PHE A 6 16.418 3.806 -3.640 1.00 42.41 C ATOM 95 CG PHE A 6 17.815 3.338 -3.931 1.00 23.10 C ATOM 96 CD1 PHE A 6 18.908 4.011 -3.409 1.00 65.41 C ATOM 97 CD2 PHE A 6 18.035 2.224 -4.726 1.00 5.53 C ATOM 98 CE1 PHE A 6 20.195 3.582 -3.676 1.00 30.11 C ATOM 99 CE2 PHE A 6 19.320 1.791 -4.996 1.00 31.24 C ATOM 100 CZ PHE A 6 20.401 2.470 -4.469 1.00 50.00 C ATOM 0 H PHE A 6 15.775 1.404 -3.428 1.00 45.23 H new ATOM 0 HA PHE A 6 16.481 3.449 -1.522 1.00 54.03 H new ATOM 0 HB2 PHE A 6 15.775 3.549 -4.482 1.00 42.41 H new ATOM 0 HB3 PHE A 6 16.417 4.893 -3.558 1.00 42.41 H new ATOM 0 HD1 PHE A 6 18.753 4.880 -2.787 1.00 65.41 H new ATOM 0 HD2 PHE A 6 17.193 1.688 -5.139 1.00 5.53 H new ATOM 0 HE1 PHE A 6 21.039 4.116 -3.265 1.00 30.11 H new ATOM 0 HE2 PHE A 6 19.478 0.923 -5.618 1.00 31.24 H new ATOM 0 HZ PHE A 6 21.406 2.132 -4.677 1.00 50.00 H new ATOM 110 N GLY A 7 13.416 2.988 -2.223 1.00 13.41 N ATOM 111 CA GLY A 7 12.062 3.457 -1.992 1.00 51.42 C ATOM 112 C GLY A 7 11.910 4.156 -0.656 1.00 22.04 C ATOM 113 O GLY A 7 11.710 5.369 -0.600 1.00 63.41 O ATOM 0 H GLY A 7 13.490 2.005 -2.484 1.00 13.41 H new ATOM 0 HA2 GLY A 7 11.777 4.141 -2.791 1.00 51.42 H new ATOM 0 HA3 GLY A 7 11.376 2.611 -2.036 1.00 51.42 H new ATOM 117 N GLY A 8 12.004 3.388 0.426 1.00 11.20 N ATOM 118 CA GLY A 8 11.871 3.958 1.754 1.00 4.10 C ATOM 119 C GLY A 8 10.556 3.593 2.413 1.00 21.01 C ATOM 120 O GLY A 8 9.488 3.771 1.826 1.00 64.41 O ATOM 0 H GLY A 8 12.170 2.382 0.406 1.00 11.20 H new ATOM 0 HA2 GLY A 8 12.695 3.612 2.378 1.00 4.10 H new ATOM 0 HA3 GLY A 8 11.953 5.043 1.690 1.00 4.10 H new ATOM 124 N CYS A 9 10.632 3.079 3.636 1.00 14.43 N ATOM 125 CA CYS A 9 9.438 2.686 4.376 1.00 65.21 C ATOM 126 C CYS A 9 9.692 2.728 5.880 1.00 64.40 C ATOM 127 O CYS A 9 10.790 3.063 6.326 1.00 55.43 O ATOM 128 CB CYS A 9 8.996 1.281 3.961 1.00 2.11 C ATOM 129 SG CYS A 9 10.356 0.074 3.857 1.00 23.43 S ATOM 0 H CYS A 9 11.508 2.925 4.136 1.00 14.43 H new ATOM 0 HA CYS A 9 8.644 3.394 4.140 1.00 65.21 H new ATOM 0 HB2 CYS A 9 8.257 0.919 4.675 1.00 2.11 H new ATOM 0 HB3 CYS A 9 8.501 1.339 2.992 1.00 2.11 H new ATOM 134 N SER A 10 8.670 2.384 6.657 1.00 61.12 N ATOM 135 CA SER A 10 8.781 2.385 8.111 1.00 54.31 C ATOM 136 C SER A 10 8.705 0.965 8.663 1.00 71.02 C ATOM 137 O SER A 10 9.202 0.684 9.753 1.00 34.25 O ATOM 138 CB SER A 10 7.674 3.244 8.727 1.00 60.43 C ATOM 139 OG SER A 10 6.401 2.865 8.234 1.00 73.33 O ATOM 0 H SER A 10 7.756 2.101 6.304 1.00 61.12 H new ATOM 0 HA SER A 10 9.750 2.808 8.377 1.00 54.31 H new ATOM 0 HB2 SER A 10 7.692 3.143 9.812 1.00 60.43 H new ATOM 0 HB3 SER A 10 7.857 4.295 8.502 1.00 60.43 H new ATOM 0 HG SER A 10 5.711 3.427 8.644 1.00 73.33 H new ATOM 145 N SER A 11 8.079 0.073 7.901 1.00 43.40 N ATOM 146 CA SER A 11 7.934 -1.318 8.314 1.00 3.53 C ATOM 147 C SER A 11 8.359 -2.264 7.195 1.00 10.24 C ATOM 148 O SER A 11 8.456 -1.867 6.033 1.00 23.45 O ATOM 149 CB SER A 11 6.486 -1.604 8.717 1.00 4.54 C ATOM 150 OG SER A 11 6.361 -2.896 9.285 1.00 11.21 O ATOM 0 H SER A 11 7.664 0.289 6.995 1.00 43.40 H new ATOM 0 HA SER A 11 8.583 -1.486 9.174 1.00 3.53 H new ATOM 0 HB2 SER A 11 6.150 -0.854 9.433 1.00 4.54 H new ATOM 0 HB3 SER A 11 5.839 -1.523 7.843 1.00 4.54 H new ATOM 0 HG SER A 11 5.427 -3.054 9.536 1.00 11.21 H new ATOM 156 N THR A 12 8.611 -3.519 7.554 1.00 3.11 N ATOM 157 CA THR A 12 9.027 -4.523 6.583 1.00 52.34 C ATOM 158 C THR A 12 7.876 -4.901 5.657 1.00 23.31 C ATOM 159 O THR A 12 8.094 -5.351 4.532 1.00 22.53 O ATOM 160 CB THR A 12 9.551 -5.793 7.277 1.00 24.53 C ATOM 161 OG1 THR A 12 8.506 -6.398 8.047 1.00 61.23 O ATOM 162 CG2 THR A 12 10.731 -5.468 8.182 1.00 74.23 C ATOM 0 H THR A 12 8.534 -3.864 8.511 1.00 3.11 H new ATOM 0 HA THR A 12 9.832 -4.081 5.996 1.00 52.34 H new ATOM 0 HB THR A 12 9.884 -6.489 6.507 1.00 24.53 H new ATOM 0 HG1 THR A 12 8.847 -7.206 8.484 1.00 61.23 H new ATOM 0 HG21 THR A 12 11.084 -6.381 8.661 1.00 74.23 H new ATOM 0 HG22 THR A 12 11.536 -5.035 7.589 1.00 74.23 H new ATOM 0 HG23 THR A 12 10.419 -4.755 8.945 1.00 74.23 H new ATOM 170 N SER A 13 6.651 -4.716 6.137 1.00 12.52 N ATOM 171 CA SER A 13 5.465 -5.041 5.353 1.00 2.12 C ATOM 172 C SER A 13 5.451 -4.262 4.041 1.00 32.04 C ATOM 173 O SER A 13 4.805 -4.666 3.074 1.00 12.51 O ATOM 174 CB SER A 13 4.198 -4.736 6.155 1.00 42.54 C ATOM 175 OG SER A 13 3.143 -5.609 5.792 1.00 14.31 O ATOM 0 H SER A 13 6.453 -4.343 7.065 1.00 12.52 H new ATOM 0 HA SER A 13 5.492 -6.106 5.122 1.00 2.12 H new ATOM 0 HB2 SER A 13 4.406 -4.835 7.220 1.00 42.54 H new ATOM 0 HB3 SER A 13 3.895 -3.703 5.984 1.00 42.54 H new ATOM 0 HG SER A 13 2.345 -5.395 6.319 1.00 14.31 H new ATOM 181 N ASP A 14 6.168 -3.144 4.017 1.00 54.11 N ATOM 182 CA ASP A 14 6.239 -2.308 2.824 1.00 2.53 C ATOM 183 C ASP A 14 7.080 -2.976 1.741 1.00 32.42 C ATOM 184 O ASP A 14 6.743 -2.923 0.558 1.00 63.51 O ATOM 185 CB ASP A 14 6.826 -0.938 3.170 1.00 23.22 C ATOM 186 CG ASP A 14 5.862 -0.078 3.963 1.00 72.21 C ATOM 187 OD1 ASP A 14 5.456 -0.504 5.064 1.00 13.33 O ATOM 188 OD2 ASP A 14 5.512 1.020 3.482 1.00 43.15 O ATOM 0 H ASP A 14 6.708 -2.796 4.809 1.00 54.11 H new ATOM 0 HA ASP A 14 5.227 -2.176 2.442 1.00 2.53 H new ATOM 0 HB2 ASP A 14 7.743 -1.073 3.743 1.00 23.22 H new ATOM 0 HB3 ASP A 14 7.098 -0.420 2.250 1.00 23.22 H new ATOM 193 N CYS A 15 8.176 -3.605 2.154 1.00 52.54 N ATOM 194 CA CYS A 15 9.066 -4.283 1.220 1.00 43.34 C ATOM 195 C CYS A 15 8.386 -5.505 0.609 1.00 1.15 C ATOM 196 O CYS A 15 8.086 -6.475 1.306 1.00 0.24 O ATOM 197 CB CYS A 15 10.356 -4.703 1.926 1.00 25.03 C ATOM 198 SG CYS A 15 11.337 -3.311 2.574 1.00 51.00 S ATOM 0 H CYS A 15 8.468 -3.659 3.130 1.00 52.54 H new ATOM 0 HA CYS A 15 9.309 -3.586 0.418 1.00 43.34 H new ATOM 0 HB2 CYS A 15 10.106 -5.371 2.750 1.00 25.03 H new ATOM 0 HB3 CYS A 15 10.970 -5.273 1.229 1.00 25.03 H new ATOM 203 N CYS A 16 8.146 -5.451 -0.696 1.00 70.23 N ATOM 204 CA CYS A 16 7.501 -6.552 -1.402 1.00 25.32 C ATOM 205 C CYS A 16 8.415 -7.111 -2.489 1.00 24.14 C ATOM 206 O CYS A 16 8.135 -8.157 -3.075 1.00 12.05 O ATOM 207 CB CYS A 16 6.182 -6.087 -2.020 1.00 14.33 C ATOM 208 SG CYS A 16 5.054 -5.276 -0.841 1.00 0.31 S ATOM 0 H CYS A 16 8.389 -4.656 -1.287 1.00 70.23 H new ATOM 0 HA CYS A 16 7.297 -7.343 -0.680 1.00 25.32 H new ATOM 0 HB2 CYS A 16 6.398 -5.395 -2.834 1.00 14.33 H new ATOM 0 HB3 CYS A 16 5.675 -6.947 -2.459 1.00 14.33 H new ATOM 213 N LYS A 17 9.511 -6.407 -2.753 1.00 14.34 N ATOM 214 CA LYS A 17 10.468 -6.831 -3.767 1.00 71.22 C ATOM 215 C LYS A 17 11.600 -7.640 -3.142 1.00 62.03 C ATOM 216 O LYS A 17 12.758 -7.517 -3.543 1.00 23.55 O ATOM 217 CB LYS A 17 11.039 -5.615 -4.499 1.00 45.13 C ATOM 218 CG LYS A 17 10.115 -5.059 -5.569 1.00 2.03 C ATOM 219 CD LYS A 17 10.192 -5.872 -6.850 1.00 45.21 C ATOM 220 CE LYS A 17 11.309 -5.378 -7.757 1.00 41.30 C ATOM 221 NZ LYS A 17 11.492 -6.260 -8.943 1.00 10.22 N ATOM 0 H LYS A 17 9.758 -5.539 -2.278 1.00 14.34 H new ATOM 0 HA LYS A 17 9.944 -7.465 -4.483 1.00 71.22 H new ATOM 0 HB2 LYS A 17 11.252 -4.831 -3.772 1.00 45.13 H new ATOM 0 HB3 LYS A 17 11.988 -5.891 -4.958 1.00 45.13 H new ATOM 0 HG2 LYS A 17 9.089 -5.056 -5.200 1.00 2.03 H new ATOM 0 HG3 LYS A 17 10.381 -4.023 -5.778 1.00 2.03 H new ATOM 0 HD2 LYS A 17 10.357 -6.922 -6.607 1.00 45.21 H new ATOM 0 HD3 LYS A 17 9.240 -5.813 -7.378 1.00 45.21 H new ATOM 0 HE2 LYS A 17 11.085 -4.364 -8.089 1.00 41.30 H new ATOM 0 HE3 LYS A 17 12.240 -5.330 -7.193 1.00 41.30 H new ATOM 0 HZ1 LYS A 17 12.262 -5.889 -9.536 1.00 10.22 H new ATOM 0 HZ2 LYS A 17 11.731 -7.222 -8.627 1.00 10.22 H new ATOM 0 HZ3 LYS A 17 10.611 -6.286 -9.496 1.00 10.22 H new ATOM 235 N HIS A 18 11.258 -8.468 -2.160 1.00 40.20 N ATOM 236 CA HIS A 18 12.246 -9.299 -1.481 1.00 43.34 C ATOM 237 C HIS A 18 13.267 -8.437 -0.744 1.00 53.43 C ATOM 238 O HIS A 18 14.466 -8.716 -0.771 1.00 61.11 O ATOM 239 CB HIS A 18 12.958 -10.205 -2.486 1.00 70.12 C ATOM 240 CG HIS A 18 13.448 -11.490 -1.892 1.00 15.20 C ATOM 241 ND1 HIS A 18 14.593 -12.128 -2.318 1.00 43.32 N ATOM 242 CD2 HIS A 18 12.941 -12.255 -0.897 1.00 55.12 C ATOM 243 CE1 HIS A 18 14.769 -13.231 -1.613 1.00 11.44 C ATOM 244 NE2 HIS A 18 13.780 -13.331 -0.743 1.00 12.21 N ATOM 0 H HIS A 18 10.304 -8.581 -1.817 1.00 40.20 H new ATOM 0 HA HIS A 18 11.724 -9.918 -0.751 1.00 43.34 H new ATOM 0 HB2 HIS A 18 12.276 -10.430 -3.306 1.00 70.12 H new ATOM 0 HB3 HIS A 18 13.804 -9.666 -2.913 1.00 70.12 H new ATOM 0 HD2 HIS A 18 12.044 -12.056 -0.330 1.00 55.12 H new ATOM 0 HE1 HIS A 18 15.583 -13.932 -1.728 1.00 11.44 H new ATOM 0 HE2 HIS A 18 13.659 -14.085 -0.067 1.00 12.21 H new ATOM 252 N LEU A 19 12.784 -7.388 -0.088 1.00 15.24 N ATOM 253 CA LEU A 19 13.654 -6.484 0.657 1.00 53.24 C ATOM 254 C LEU A 19 13.261 -6.440 2.130 1.00 62.31 C ATOM 255 O LEU A 19 12.176 -6.883 2.507 1.00 40.41 O ATOM 256 CB LEU A 19 13.592 -5.077 0.059 1.00 73.22 C ATOM 257 CG LEU A 19 13.959 -4.960 -1.421 1.00 3.02 C ATOM 258 CD1 LEU A 19 13.046 -3.965 -2.121 1.00 21.44 C ATOM 259 CD2 LEU A 19 15.417 -4.550 -1.577 1.00 74.54 C ATOM 0 H LEU A 19 11.795 -7.142 -0.057 1.00 15.24 H new ATOM 0 HA LEU A 19 14.675 -6.859 0.584 1.00 53.24 H new ATOM 0 HB2 LEU A 19 12.582 -4.691 0.194 1.00 73.22 H new ATOM 0 HB3 LEU A 19 14.259 -4.431 0.630 1.00 73.22 H new ATOM 0 HG LEU A 19 13.824 -5.936 -1.888 1.00 3.02 H new ATOM 0 HD11 LEU A 19 13.322 -3.895 -3.173 1.00 21.44 H new ATOM 0 HD12 LEU A 19 12.012 -4.300 -2.039 1.00 21.44 H new ATOM 0 HD13 LEU A 19 13.148 -2.986 -1.653 1.00 21.44 H new ATOM 0 HD21 LEU A 19 15.662 -4.471 -2.636 1.00 74.54 H new ATOM 0 HD22 LEU A 19 15.577 -3.586 -1.095 1.00 74.54 H new ATOM 0 HD23 LEU A 19 16.057 -5.299 -1.111 1.00 74.54 H new ATOM 271 N SER A 20 14.151 -5.902 2.958 1.00 34.34 N ATOM 272 CA SER A 20 13.898 -5.802 4.391 1.00 31.10 C ATOM 273 C SER A 20 13.974 -4.351 4.856 1.00 42.11 C ATOM 274 O SER A 20 15.014 -3.702 4.737 1.00 62.41 O ATOM 275 CB SER A 20 14.905 -6.652 5.169 1.00 74.24 C ATOM 276 OG SER A 20 14.498 -8.009 5.215 1.00 40.10 O ATOM 0 H SER A 20 15.053 -5.529 2.662 1.00 34.34 H new ATOM 0 HA SER A 20 12.892 -6.175 4.584 1.00 31.10 H new ATOM 0 HB2 SER A 20 15.886 -6.579 4.700 1.00 74.24 H new ATOM 0 HB3 SER A 20 15.006 -6.265 6.183 1.00 74.24 H new ATOM 0 HG SER A 20 14.080 -8.196 6.081 1.00 40.10 H new ATOM 282 N CYS A 21 12.865 -3.847 5.386 1.00 31.12 N ATOM 283 CA CYS A 21 12.803 -2.473 5.869 1.00 3.02 C ATOM 284 C CYS A 21 13.457 -2.349 7.242 1.00 23.34 C ATOM 285 O CYS A 21 12.956 -2.885 8.231 1.00 72.53 O ATOM 286 CB CYS A 21 11.350 -2.000 5.940 1.00 41.32 C ATOM 287 SG CYS A 21 11.135 -0.215 5.648 1.00 55.51 S ATOM 0 H CYS A 21 11.996 -4.370 5.492 1.00 31.12 H new ATOM 0 HA CYS A 21 13.349 -1.843 5.167 1.00 3.02 H new ATOM 0 HB2 CYS A 21 10.763 -2.551 5.205 1.00 41.32 H new ATOM 0 HB3 CYS A 21 10.946 -2.248 6.921 1.00 41.32 H new ATOM 292 N ARG A 22 14.579 -1.639 7.295 1.00 3.05 N ATOM 293 CA ARG A 22 15.303 -1.445 8.546 1.00 34.44 C ATOM 294 C ARG A 22 14.743 -0.254 9.319 1.00 24.30 C ATOM 295 O ARG A 22 14.484 0.804 8.746 1.00 71.42 O ATOM 296 CB ARG A 22 16.793 -1.235 8.271 1.00 14.44 C ATOM 297 CG ARG A 22 17.532 -2.512 7.910 1.00 20.41 C ATOM 298 CD ARG A 22 18.995 -2.445 8.321 1.00 54.21 C ATOM 299 NE ARG A 22 19.209 -2.962 9.670 1.00 53.40 N ATOM 300 CZ ARG A 22 20.394 -2.985 10.269 1.00 43.15 C ATOM 301 NH1 ARG A 22 21.467 -2.523 9.641 1.00 53.52 N ATOM 302 NH2 ARG A 22 20.509 -3.471 11.498 1.00 51.01 N ATOM 0 H ARG A 22 15.007 -1.188 6.486 1.00 3.05 H new ATOM 0 HA ARG A 22 15.176 -2.342 9.153 1.00 34.44 H new ATOM 0 HB2 ARG A 22 16.906 -0.518 7.458 1.00 14.44 H new ATOM 0 HB3 ARG A 22 17.258 -0.793 9.153 1.00 14.44 H new ATOM 0 HG2 ARG A 22 17.054 -3.361 8.399 1.00 20.41 H new ATOM 0 HG3 ARG A 22 17.462 -2.683 6.836 1.00 20.41 H new ATOM 0 HD2 ARG A 22 19.597 -3.016 7.614 1.00 54.21 H new ATOM 0 HD3 ARG A 22 19.339 -1.412 8.270 1.00 54.21 H new ATOM 0 HE ARG A 22 18.404 -3.325 10.180 1.00 53.40 H new ATOM 0 HH11 ARG A 22 21.383 -2.149 8.696 1.00 53.52 H new ATOM 0 HH12 ARG A 22 22.376 -2.542 10.103 1.00 53.52 H new ATOM 0 HH21 ARG A 22 19.686 -3.828 11.984 1.00 51.01 H new ATOM 0 HH22 ARG A 22 21.420 -3.488 11.957 1.00 51.01 H new ATOM 316 N SER A 23 14.560 -0.435 10.623 1.00 0.31 N ATOM 317 CA SER A 23 14.028 0.623 11.474 1.00 54.33 C ATOM 318 C SER A 23 15.094 1.674 11.766 1.00 44.13 C ATOM 319 O SER A 23 14.817 2.701 12.385 1.00 13.05 O ATOM 320 CB SER A 23 13.501 0.036 12.785 1.00 44.31 C ATOM 321 OG SER A 23 14.337 -1.011 13.246 1.00 31.23 O ATOM 0 H SER A 23 14.772 -1.304 11.113 1.00 0.31 H new ATOM 0 HA SER A 23 13.206 1.103 10.943 1.00 54.33 H new ATOM 0 HB2 SER A 23 13.443 0.819 13.541 1.00 44.31 H new ATOM 0 HB3 SER A 23 12.489 -0.340 12.638 1.00 44.31 H new ATOM 0 HG SER A 23 13.980 -1.369 14.086 1.00 31.23 H new ATOM 327 N ASP A 24 16.316 1.409 11.315 1.00 54.21 N ATOM 328 CA ASP A 24 17.425 2.331 11.526 1.00 44.40 C ATOM 329 C ASP A 24 17.338 3.515 10.567 1.00 23.14 C ATOM 330 O ASP A 24 17.263 4.667 10.994 1.00 53.21 O ATOM 331 CB ASP A 24 18.760 1.607 11.342 1.00 0.42 C ATOM 332 CG ASP A 24 18.739 0.201 11.908 1.00 14.12 C ATOM 333 OD1 ASP A 24 18.979 0.048 13.124 1.00 74.31 O ATOM 334 OD2 ASP A 24 18.483 -0.746 11.135 1.00 34.14 O ATOM 0 H ASP A 24 16.563 0.563 10.801 1.00 54.21 H new ATOM 0 HA ASP A 24 17.362 2.708 12.547 1.00 44.40 H new ATOM 0 HB2 ASP A 24 19.004 1.565 10.280 1.00 0.42 H new ATOM 0 HB3 ASP A 24 19.550 2.179 11.828 1.00 0.42 H new ATOM 339 N TRP A 25 17.351 3.222 9.272 1.00 14.31 N ATOM 340 CA TRP A 25 17.274 4.263 8.253 1.00 62.11 C ATOM 341 C TRP A 25 15.866 4.358 7.677 1.00 52.04 C ATOM 342 O TRP A 25 15.546 5.294 6.944 1.00 71.05 O ATOM 343 CB TRP A 25 18.279 3.984 7.134 1.00 52.02 C ATOM 344 CG TRP A 25 19.622 4.604 7.374 1.00 63.44 C ATOM 345 CD1 TRP A 25 20.404 4.462 8.485 1.00 74.13 C ATOM 346 CD2 TRP A 25 20.341 5.464 6.483 1.00 74.14 C ATOM 347 NE1 TRP A 25 21.564 5.182 8.338 1.00 4.41 N ATOM 348 CE2 TRP A 25 21.550 5.805 7.118 1.00 4.32 C ATOM 349 CE3 TRP A 25 20.081 5.977 5.209 1.00 13.32 C ATOM 350 CZ2 TRP A 25 22.495 6.637 6.523 1.00 51.04 C ATOM 351 CZ3 TRP A 25 21.019 6.803 4.620 1.00 70.14 C ATOM 352 CH2 TRP A 25 22.214 7.126 5.276 1.00 64.44 C ATOM 0 H TRP A 25 17.414 2.273 8.903 1.00 14.31 H new ATOM 0 HA TRP A 25 17.519 5.216 8.723 1.00 62.11 H new ATOM 0 HB2 TRP A 25 18.399 2.906 7.023 1.00 52.02 H new ATOM 0 HB3 TRP A 25 17.877 4.358 6.193 1.00 52.02 H new ATOM 0 HD1 TRP A 25 20.148 3.870 9.351 1.00 74.13 H new ATOM 0 HE1 TRP A 25 22.315 5.243 9.026 1.00 4.41 H new ATOM 0 HE3 TRP A 25 19.164 5.732 4.694 1.00 13.32 H new ATOM 0 HZ2 TRP A 25 23.417 6.887 7.027 1.00 51.04 H new ATOM 0 HZ3 TRP A 25 20.828 7.207 3.637 1.00 70.14 H new ATOM 0 HH2 TRP A 25 22.927 7.774 4.788 1.00 64.44 H new ATOM 363 N LYS A 26 15.027 3.384 8.012 1.00 12.04 N ATOM 364 CA LYS A 26 13.651 3.358 7.530 1.00 42.23 C ATOM 365 C LYS A 26 13.610 3.209 6.012 1.00 12.32 C ATOM 366 O LYS A 26 12.984 4.010 5.317 1.00 0.01 O ATOM 367 CB LYS A 26 12.918 4.635 7.948 1.00 43.04 C ATOM 368 CG LYS A 26 13.117 5.000 9.408 1.00 4.25 C ATOM 369 CD LYS A 26 12.087 6.014 9.875 1.00 13.42 C ATOM 370 CE LYS A 26 11.858 5.926 11.376 1.00 12.13 C ATOM 371 NZ LYS A 26 11.068 7.081 11.886 1.00 74.12 N ATOM 0 H LYS A 26 15.276 2.601 8.616 1.00 12.04 H new ATOM 0 HA LYS A 26 13.152 2.498 7.976 1.00 42.23 H new ATOM 0 HB2 LYS A 26 13.261 5.461 7.326 1.00 43.04 H new ATOM 0 HB3 LYS A 26 11.852 4.512 7.755 1.00 43.04 H new ATOM 0 HG2 LYS A 26 13.048 4.101 10.021 1.00 4.25 H new ATOM 0 HG3 LYS A 26 14.119 5.406 9.549 1.00 4.25 H new ATOM 0 HD2 LYS A 26 12.420 7.019 9.615 1.00 13.42 H new ATOM 0 HD3 LYS A 26 11.146 5.845 9.352 1.00 13.42 H new ATOM 0 HE2 LYS A 26 11.336 4.998 11.610 1.00 12.13 H new ATOM 0 HE3 LYS A 26 12.819 5.889 11.888 1.00 12.13 H new ATOM 0 HZ1 LYS A 26 10.934 6.984 12.913 1.00 74.12 H new ATOM 0 HZ2 LYS A 26 11.577 7.965 11.686 1.00 74.12 H new ATOM 0 HZ3 LYS A 26 10.140 7.102 11.416 1.00 74.12 H new ATOM 385 N TYR A 27 14.278 2.180 5.505 1.00 24.41 N ATOM 386 CA TYR A 27 14.318 1.927 4.070 1.00 64.43 C ATOM 387 C TYR A 27 14.517 0.441 3.784 1.00 55.13 C ATOM 388 O TYR A 27 15.083 -0.290 4.597 1.00 51.12 O ATOM 389 CB TYR A 27 15.441 2.737 3.419 1.00 72.21 C ATOM 390 CG TYR A 27 16.812 2.124 3.596 1.00 35.35 C ATOM 391 CD1 TYR A 27 17.311 1.846 4.863 1.00 62.54 C ATOM 392 CD2 TYR A 27 17.607 1.822 2.498 1.00 75.24 C ATOM 393 CE1 TYR A 27 18.563 1.286 5.029 1.00 3.34 C ATOM 394 CE2 TYR A 27 18.859 1.261 2.655 1.00 63.12 C ATOM 395 CZ TYR A 27 19.333 0.996 3.923 1.00 63.44 C ATOM 396 OH TYR A 27 20.581 0.437 4.084 1.00 15.04 O ATOM 0 H TYR A 27 14.800 1.507 6.067 1.00 24.41 H new ATOM 0 HA TYR A 27 13.363 2.236 3.646 1.00 64.43 H new ATOM 0 HB2 TYR A 27 15.233 2.840 2.354 1.00 72.21 H new ATOM 0 HB3 TYR A 27 15.444 3.742 3.841 1.00 72.21 H new ATOM 0 HD1 TYR A 27 16.710 2.071 5.732 1.00 62.54 H new ATOM 0 HD2 TYR A 27 17.240 2.030 1.504 1.00 75.24 H new ATOM 0 HE1 TYR A 27 18.937 1.076 6.020 1.00 3.34 H new ATOM 0 HE2 TYR A 27 19.464 1.031 1.790 1.00 63.12 H new ATOM 0 HH TYR A 27 20.991 0.294 3.206 1.00 15.04 H new ATOM 406 N CYS A 28 14.046 0.001 2.621 1.00 1.43 N ATOM 407 CA CYS A 28 14.170 -1.396 2.225 1.00 23.10 C ATOM 408 C CYS A 28 15.635 -1.780 2.037 1.00 22.24 C ATOM 409 O CYS A 28 16.474 -0.936 1.724 1.00 53.21 O ATOM 410 CB CYS A 28 13.395 -1.652 0.931 1.00 11.12 C ATOM 411 SG CYS A 28 11.616 -1.958 1.179 1.00 63.44 S ATOM 0 H CYS A 28 13.575 0.593 1.937 1.00 1.43 H new ATOM 0 HA CYS A 28 13.750 -2.012 3.020 1.00 23.10 H new ATOM 0 HB2 CYS A 28 13.517 -0.793 0.271 1.00 11.12 H new ATOM 0 HB3 CYS A 28 13.833 -2.510 0.421 1.00 11.12 H new ATOM 416 N ALA A 29 15.935 -3.060 2.231 1.00 20.35 N ATOM 417 CA ALA A 29 17.297 -3.557 2.082 1.00 61.15 C ATOM 418 C ALA A 29 17.322 -4.863 1.295 1.00 74.20 C ATOM 419 O ALA A 29 16.449 -5.715 1.461 1.00 33.12 O ATOM 420 CB ALA A 29 17.942 -3.748 3.446 1.00 23.31 C ATOM 0 H ALA A 29 15.253 -3.772 2.492 1.00 20.35 H new ATOM 0 HA ALA A 29 17.868 -2.816 1.523 1.00 61.15 H new ATOM 0 HB1 ALA A 29 18.959 -4.120 3.319 1.00 23.31 H new ATOM 0 HB2 ALA A 29 17.967 -2.794 3.973 1.00 23.31 H new ATOM 0 HB3 ALA A 29 17.363 -4.467 4.025 1.00 23.31 H new ATOM 426 N TRP A 30 18.325 -5.014 0.439 1.00 44.44 N ATOM 427 CA TRP A 30 18.462 -6.217 -0.375 1.00 4.34 C ATOM 428 C TRP A 30 18.923 -7.397 0.473 1.00 31.23 C ATOM 429 O TRP A 30 19.368 -7.222 1.608 1.00 74.41 O ATOM 430 CB TRP A 30 19.452 -5.976 -1.516 1.00 12.22 C ATOM 431 CG TRP A 30 18.790 -5.595 -2.806 1.00 32.25 C ATOM 432 CD1 TRP A 30 19.105 -4.535 -3.607 1.00 30.21 C ATOM 433 CD2 TRP A 30 17.699 -6.271 -3.441 1.00 1.21 C ATOM 434 NE1 TRP A 30 18.276 -4.511 -4.702 1.00 73.13 N ATOM 435 CE2 TRP A 30 17.405 -5.566 -4.624 1.00 41.35 C ATOM 436 CE3 TRP A 30 16.944 -7.404 -3.127 1.00 12.33 C ATOM 437 CZ2 TRP A 30 16.388 -5.957 -5.491 1.00 32.44 C ATOM 438 CZ3 TRP A 30 15.934 -7.791 -3.987 1.00 43.12 C ATOM 439 CH2 TRP A 30 15.664 -7.070 -5.158 1.00 61.21 C ATOM 0 H TRP A 30 19.056 -4.319 0.290 1.00 44.44 H new ATOM 0 HA TRP A 30 17.485 -6.455 -0.796 1.00 4.34 H new ATOM 0 HB2 TRP A 30 20.146 -5.187 -1.225 1.00 12.22 H new ATOM 0 HB3 TRP A 30 20.043 -6.879 -1.672 1.00 12.22 H new ATOM 0 HD1 TRP A 30 19.890 -3.821 -3.409 1.00 30.21 H new ATOM 0 HE1 TRP A 30 18.304 -3.820 -5.452 1.00 73.13 H new ATOM 0 HE3 TRP A 30 17.146 -7.967 -2.228 1.00 12.33 H new ATOM 0 HZ2 TRP A 30 16.178 -5.402 -6.394 1.00 32.44 H new ATOM 0 HZ3 TRP A 30 15.343 -8.664 -3.753 1.00 43.12 H new ATOM 0 HH2 TRP A 30 14.869 -7.399 -5.811 1.00 61.21 H new ATOM 450 N ASP A 31 18.814 -8.598 -0.084 1.00 33.33 N ATOM 451 CA ASP A 31 19.221 -9.808 0.622 1.00 74.13 C ATOM 452 C ASP A 31 18.558 -9.886 1.993 1.00 35.43 C ATOM 453 O ASP A 31 19.135 -10.412 2.944 1.00 10.31 O ATOM 454 CB ASP A 31 20.742 -9.848 0.774 1.00 71.12 C ATOM 455 CG ASP A 31 21.462 -9.521 -0.520 1.00 30.23 C ATOM 456 OD1 ASP A 31 21.363 -10.322 -1.472 1.00 73.32 O ATOM 457 OD2 ASP A 31 22.125 -8.465 -0.579 1.00 45.32 O ATOM 0 H ASP A 31 18.447 -8.760 -1.022 1.00 33.33 H new ATOM 0 HA ASP A 31 18.900 -10.668 0.034 1.00 74.13 H new ATOM 0 HB2 ASP A 31 21.046 -9.140 1.545 1.00 71.12 H new ATOM 0 HB3 ASP A 31 21.044 -10.838 1.114 1.00 71.12 H new ATOM 462 N GLY A 32 17.341 -9.359 2.088 1.00 13.40 N ATOM 463 CA GLY A 32 16.620 -9.378 3.347 1.00 13.13 C ATOM 464 C GLY A 32 17.399 -8.724 4.471 1.00 33.24 C ATOM 465 O GLY A 32 17.995 -7.662 4.289 1.00 60.21 O ATOM 0 H GLY A 32 16.842 -8.919 1.315 1.00 13.40 H new ATOM 0 HA2 GLY A 32 15.666 -8.865 3.224 1.00 13.13 H new ATOM 0 HA3 GLY A 32 16.395 -10.410 3.618 1.00 13.13 H new ATOM 469 N THR A 33 17.393 -9.358 5.640 1.00 64.31 N ATOM 470 CA THR A 33 18.102 -8.831 6.799 1.00 1.30 C ATOM 471 C THR A 33 19.578 -9.210 6.761 1.00 70.33 C ATOM 472 O THR A 33 19.983 -10.092 6.003 1.00 20.10 O ATOM 473 CB THR A 33 17.486 -9.342 8.115 1.00 61.31 C ATOM 474 OG1 THR A 33 17.135 -10.725 7.987 1.00 51.45 O ATOM 475 CG2 THR A 33 16.253 -8.533 8.486 1.00 53.23 C ATOM 0 H THR A 33 16.905 -10.237 5.809 1.00 64.31 H new ATOM 0 HA THR A 33 18.008 -7.746 6.760 1.00 1.30 H new ATOM 0 HB THR A 33 18.227 -9.227 8.906 1.00 61.31 H new ATOM 0 HG1 THR A 33 16.746 -11.043 8.828 1.00 51.45 H new ATOM 0 HG21 THR A 33 15.836 -8.913 9.419 1.00 53.23 H new ATOM 0 HG22 THR A 33 16.529 -7.486 8.612 1.00 53.23 H new ATOM 0 HG23 THR A 33 15.509 -8.620 7.694 1.00 53.23 H new ATOM 483 N PHE A 34 20.378 -8.540 7.583 1.00 41.30 N ATOM 484 CA PHE A 34 21.810 -8.807 7.643 1.00 44.03 C ATOM 485 C PHE A 34 22.219 -9.272 9.037 1.00 3.44 C ATOM 486 O PHE A 34 21.610 -8.887 10.035 1.00 12.42 O ATOM 487 CB PHE A 34 22.601 -7.555 7.258 1.00 51.31 C ATOM 488 CG PHE A 34 22.474 -7.188 5.807 1.00 65.32 C ATOM 489 CD1 PHE A 34 22.955 -8.035 4.821 1.00 52.24 C ATOM 490 CD2 PHE A 34 21.875 -5.998 5.429 1.00 51.21 C ATOM 491 CE1 PHE A 34 22.840 -7.700 3.485 1.00 44.53 C ATOM 492 CE2 PHE A 34 21.757 -5.657 4.094 1.00 22.44 C ATOM 493 CZ PHE A 34 22.240 -6.510 3.121 1.00 32.01 C ATOM 0 H PHE A 34 20.059 -7.808 8.217 1.00 41.30 H new ATOM 0 HA PHE A 34 22.035 -9.603 6.933 1.00 44.03 H new ATOM 0 HB2 PHE A 34 22.260 -6.718 7.867 1.00 51.31 H new ATOM 0 HB3 PHE A 34 23.653 -7.713 7.494 1.00 51.31 H new ATOM 0 HD1 PHE A 34 23.425 -8.967 5.100 1.00 52.24 H new ATOM 0 HD2 PHE A 34 21.495 -5.328 6.186 1.00 51.21 H new ATOM 0 HE1 PHE A 34 23.219 -8.368 2.726 1.00 44.53 H new ATOM 0 HE2 PHE A 34 21.288 -4.726 3.813 1.00 22.44 H new ATOM 0 HZ PHE A 34 22.149 -6.247 2.077 1.00 32.01 H new ATOM 503 N SER A 35 23.255 -10.102 9.098 1.00 60.51 N ATOM 504 CA SER A 35 23.743 -10.624 10.369 1.00 5.01 C ATOM 505 C SER A 35 25.236 -10.353 10.530 1.00 42.11 C ATOM 506 O SER A 35 25.731 -10.189 11.644 1.00 32.30 O ATOM 507 CB SER A 35 23.473 -12.127 10.466 1.00 41.33 C ATOM 508 OG SER A 35 23.802 -12.622 11.752 1.00 35.30 O ATOM 0 H SER A 35 23.773 -10.428 8.282 1.00 60.51 H new ATOM 0 HA SER A 35 23.210 -10.114 11.171 1.00 5.01 H new ATOM 0 HB2 SER A 35 22.422 -12.325 10.254 1.00 41.33 H new ATOM 0 HB3 SER A 35 24.055 -12.654 9.710 1.00 41.33 H new ATOM 0 HG SER A 35 23.619 -13.584 11.789 1.00 35.30 H new TER 514 SER A 35